A0A087XRN5_POEFO Loading...

Interphotoreceptor matrix proteoglycan 2a

AlphaFold DB , UniProt , Accession A0A087XRN5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 284 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
1N62.3Low81.4Confident127 Ų127124.6 Ų124.668%0.67969%0.687SS**  0-23.30-51-7.4000113.6F55 A57N1-F55 WeakPolarHBondContact CA-O 3.46Å; N1-F55 WeakPolarHBondContact CB-O 3.04Å; N1-F55 PolarHBondContact OD1-O 3.27Å; N1-A57 VanDerWaalsContact ND2-CB 3.31Å; N1-A57 WeakPolarHBondContact ND2-CB 3.29Å
2S74.3Confident81.3Confident128 Ų128135.8 Ų135.890%0.89571%0.711SS**  trans-74.8136.8175.1-53.70000111.3
3R80Confident81.3Confident130 Ų130128.4 Ų128.449%0.49169%0.688SS.*  trans-107.5145.8173.9-53.8-178.2-161.1174.88.6108.7A73R3-A73 PolarHBondContact NH2-O 3.41Å
4M83.3Confident81.8Confident111 Ų111121.6 Ų121.655%0.54765%0.654SS.*  trans-131.9142.8171.666.7174.417100110.5F6 V18M4-F6 HydrophobicContact CE-CE2 3.9Å; M4-F6 HydrophobicContact CE-CZ 3.53Å; M4-F6 HydrophobicContact CG-CE2 4.5Å; M4-F6 HydrophobicContact SD-CE1 4.37Å; M4-F6 HydrophobicContact SD-CE2 4.32Å; M4-F6 HydrophobicContact SD-CZ 3.82Å; M4-V18 HydrophobicContact CE-CB 4.19Å; M4-V18 HydrophobicContact CE-CG1 3.72Å; M4-V18 HydrophobicContact CE-CG2 3.44Å; M4-V18 VanDerWaalsContact CE-CG2 3.44Å
5K85.1Confident82.2Confident182 Ų182116.9 Ų116.979%0.79163%0.631SS**  trans-116.7133.1173.2-70.6-178.3-179.1172.70108.3E72K5-E72 IonicContact NZ-OE1 3.62Å
6F86.1Confident82.7Confident102 Ų102115.1 Ų115.145%0.44763%0.625SS.*  trans-86131.7175.4-64.4-81.3000109.8M4 R8 V10 V14M4-F6 HydrophobicContact CE-CE2 3.9Å; M4-F6 HydrophobicContact CE-CZ 3.53Å; M4-F6 HydrophobicContact CG-CE2 4.5Å; M4-F6 HydrophobicContact SD-CE1 4.37Å; M4-F6 HydrophobicContact SD-CE2 4.32Å; M4-F6 HydrophobicContact SD-CZ 3.82Å; F6-R8 WeakPolarHBondContact CB-O 3.49Å; F6-R8 PolarHBondContact O-N 3.3Å; F6-V10 HydrophobicContact CB-CG1 3.98Å; F6-V10 HydrophobicContact CD1-CG1 3.81Å; F6-V10 HydrophobicContact CD2-CG1 4.18Å; F6-V10 HydrophobicContact CD2-CG2 4Å; F6-V10 HydrophobicContact CE1-CG1 4.33Å; F6-V10 HydrophobicContact CE2-CG2 4.42Å; F6-V10 HydrophobicContact CG-CG1 3.71Å; F6-V10 HydrophobicContact CG-CG2 4.33Å; F6-V14 HydrophobicContact CE1-CG1 4.48Å; F6-V14 HydrophobicContact CE2-CG1 3.75Å; F6-V14 HydrophobicContact CZ-CG1 3.58Å
7G87.3Confident83.2Confident87 Ų87113 Ų11390%0.89762%0.617SS**SBendtrans-72.2-8.5178.100000114.5
8R88Confident83.7Confident210 Ų210108.1 Ų108.179%0.79259%0.591SS**SBendtrans-137154.9176.2-65.9-173.6-177.5-173.81.1109.7F6 V10F6-R8 WeakPolarHBondContact CB-O 3.49Å; F6-R8 PolarHBondContact O-N 3.3Å; R8-V10 PolarHBondContact O-N 3.15Å
9P83.6Confident84.1Confident137 Ų137106.3 Ų106.389%0.8958%0.575SS**  trans-56.8135.4172.6-2132.1000110.4
10V83.6Confident84.6Confident77 Ų77105.9 Ų105.947%0.46757%0.572SS.*  trans-109.3152.7-179.5-76.20000110.8F6 R8 V14F6-V10 HydrophobicContact CB-CG1 3.98Å; F6-V10 HydrophobicContact CD1-CG1 3.81Å; F6-V10 HydrophobicContact CD2-CG1 4.18Å; F6-V10 HydrophobicContact CD2-CG2 4Å; F6-V10 HydrophobicContact CE1-CG1 4.33Å; F6-V10 HydrophobicContact CE2-CG2 4.42Å; F6-V10 HydrophobicContact CG-CG1 3.71Å; F6-V10 HydrophobicContact CG-CG2 4.33Å; R8-V10 PolarHBondContact O-N 3.15Å; V10-V14 HydrophobicContact CB-CG2 3.49Å; V10-V14 VanDerWaalsContact CB-CG2 3.49Å; V10-V14 HydrophobicContact CG1-CG2 4.31Å; V10-V14 HydrophobicContact CG2-CB 4.33Å; V10-V14 HydrophobicContact CG2-CG1 4.42Å; V10-V14 HydrophobicContact CG2-CG2 3.67Å
11A82.1Confident85Confident80 Ų80106 Ų10666%0.66157%0.571SS**  trans-65.3160.9-18000000111.8V14A11-V14 WeakPolarHBondContact O-CG2 3.31Å
12R79.6Confident86.5Confident258 Ų258103 Ų10397%0.97456%0.555SS**THydrogen-bonded Turntrans-60.9140.1173.3-68.5-178.7178.8168.5-0.9110
13G81.3Confident87.4Confident40 Ų4099.1 Ų99.141%0.41252%0.523SS..THydrogen-bonded Turntrans95.79.3177.200000116.2T15 T16 T17G13-T15 VanDerWaalsContact C-N 3.26Å; G13-T15 PolarHBondContact O-N 2.93Å; G13-T16 WeakPolarHBondContact O-CB 3.18Å; G13-T16 PolarHBondContact O-N 3.36Å; G13-T17 PolarHBondContact O-N 3.3Å
14V88.3Confident88.2Confident34 Ų3497.7 Ų97.721%0.20653%0.525CS..Hα-helixtrans-59.3-35.4179.1171.60000113F6 V10 A11 T16 T17 V18F6-V14 HydrophobicContact CE1-CG1 4.48Å; F6-V14 HydrophobicContact CE2-CG1 3.75Å; F6-V14 HydrophobicContact CZ-CG1 3.58Å; V10-V14 HydrophobicContact CB-CG2 3.49Å; V10-V14 VanDerWaalsContact CB-CG2 3.49Å; V10-V14 HydrophobicContact CG1-CG2 4.31Å; V10-V14 HydrophobicContact CG2-CB 4.33Å; V10-V14 HydrophobicContact CG2-CG1 4.42Å; V10-V14 HydrophobicContact CG2-CG2 3.67Å; A11-V14 WeakPolarHBondContact O-CG2 3.31Å; V14-T16 VanDerWaalsContact C-N 3.29Å; V14-T16 PolarHBondContact O-N 3.17Å; V14-T17 PolarHBondContact O-N 3.35Å; V14-T17 VanDerWaalsContact O-N 3.15Å; V14-V18 HydrophobicContact CG1-CG2 3.97Å; V14-V18 WeakPolarHBondContact O-CG2 3.47Å; V14-V18 PolarHBondContact O-N 3.45Å
15T88.6Confident88.7Confident51 Ų5198.4 Ų98.431%0.31353%0.525SS..Hα-helixtrans-55.7-44.6176.247.30000111.6G13 V18 Y19G13-T15 VanDerWaalsContact C-N 3.26Å; G13-T15 PolarHBondContact O-N 2.93Å; T15-V18 PolarHBondContact O-N 3.36Å; T15-Y19 WeakPolarHBondContact O-CB 3.39Å; T15-Y19 PolarHBondContact O-N 3.36Å
16T90Very high89.1Confident87 Ų8790.1 Ų90.153%0.53449%0.49SS..Hα-helixtrans-64.7-42.7176-50.50000111.9G13 V14 V18 Y19 L20G13-T16 WeakPolarHBondContact O-CB 3.18Å; G13-T16 PolarHBondContact O-N 3.36Å; V14-T16 VanDerWaalsContact C-N 3.29Å; V14-T16 PolarHBondContact O-N 3.17Å; T16-V18 VanDerWaalsContact C-N 3.32Å; T16-V18 PolarHBondContact O-N 2.9Å; T16-Y19 PolarHBondContact O-N 3.46Å; T16-L20 HydrophobicContact CG2-CD1 4.45Å; T16-L20 WeakPolarHBondContact O-CG 3.23Å; T16-L20 PolarHBondContact O-N 3.49Å
17T91.3Very high89.5Confident80 Ų8088 Ų8849%0.49148%0.483SS..Hα-helixtrans-60.9-43.7176.5-52.90000111.4G13 V14 L20 I21G13-T17 PolarHBondContact O-N 3.3Å; V14-T17 PolarHBondContact O-N 3.35Å; V14-T17 VanDerWaalsContact O-N 3.15Å; T17-L20 PolarHBondContact O-N 3.29Å; T17-I21 HydrophobicContact CG2-CD1 4.11Å; T17-I21 VanDerWaalsContact O-CG1 3.31Å; T17-I21 WeakPolarHBondContact O-CG1 3.4Å; T17-I21 PolarHBondContact O-N 3.48Å; T17-I21 VanDerWaalsContact O-N 3.09Å
18V91.4Very high89.9Confident25 Ų2586.6 Ų86.615%0.15246%0.457CS..Hα-helixtrans-65.2-42.5179.1173.10000110.8M4 V14 T15 T16 L20 I21 L22 V44M4-V18 HydrophobicContact CE-CB 4.19Å; M4-V18 HydrophobicContact CE-CG1 3.72Å; M4-V18 HydrophobicContact CE-CG2 3.44Å; M4-V18 VanDerWaalsContact CE-CG2 3.44Å; V14-V18 HydrophobicContact CG1-CG2 3.97Å; V14-V18 WeakPolarHBondContact O-CG2 3.47Å; V14-V18 PolarHBondContact O-N 3.45Å; T15-V18 PolarHBondContact O-N 3.36Å; T16-V18 VanDerWaalsContact C-N 3.32Å; T16-V18 PolarHBondContact O-N 2.9Å; V18-L20 PolarHBondContact O-N 3.09Å; V18-I21 PolarHBondContact O-N 3.35Å; V18-L22 HydrophobicContact CG1-CD1 4.12Å; V18-L22 WeakPolarHBondContact O-CG 3.36Å; V18-L22 PolarHBondContact O-N 2.84Å; V18-V44 HydrophobicContact CB-CG1 4.13Å; V18-V44 HydrophobicContact CG1-CG1 3.88Å; V18-V44 HydrophobicContact CG1-CG2 4.42Å
19Y91.9Very high90.2Very high74 Ų7476.8 Ų76.829%0.2942%0.421SS..Hα-helixtrans-56.2-49.4173.9-179.8-88.2000111.9T15 T16 I21 L22 E23 L42 V44T15-Y19 WeakPolarHBondContact O-CB 3.39Å; T15-Y19 PolarHBondContact O-N 3.36Å; T16-Y19 PolarHBondContact O-N 3.46Å; Y19-I21 VanDerWaalsContact C-N 3.31Å; Y19-I21 PolarHBondContact O-N 3.39Å; Y19-L22 PolarHBondContact O-N 3.38Å; Y19-E23 WeakPolarHBondContact O-CB 3.26Å; Y19-E23 PolarHBondContact O-N 3.02Å; Y19-L42 HydrophobicContact CD2-CB 4.25Å; Y19-L42 HydrophobicContact CE2-CB 3.84Å; Y19-L42 WeakPolarHBondContact CE2-O 3.21Å; Y19-V44 HydrophobicContact CD2-CG2 4.38Å
20L93.1Very high90.6Very high97 Ų9777.2 Ų77.251%0.50841%0.406SS..Hα-helixtrans-61.5-38.4179.7-69.2171.6000112.5T16 T17 V18 E23 D24T16-L20 HydrophobicContact CG2-CD1 4.45Å; T16-L20 WeakPolarHBondContact O-CG 3.23Å; T16-L20 PolarHBondContact O-N 3.49Å; T17-L20 PolarHBondContact O-N 3.29Å; V18-L20 PolarHBondContact O-N 3.09Å; L20-E23 PolarHBondContact O-N 3.21Å; L20-D24 WeakPolarHBondContact O-CB 3.47Å; L20-D24 PolarHBondContact O-N 3.43Å
21I93.6Very high91.1Very high108 Ų10881 Ų8155%0.55442%0.418SS*.Hα-helixtrans-64.8-44.5176.1-68.1165.7000110.8T17 V18 Y19 D24 F25T17-I21 HydrophobicContact CG2-CD1 4.11Å; T17-I21 VanDerWaalsContact O-CG1 3.31Å; T17-I21 WeakPolarHBondContact O-CG1 3.4Å; T17-I21 PolarHBondContact O-N 3.48Å; T17-I21 VanDerWaalsContact O-N 3.09Å; V18-I21 PolarHBondContact O-N 3.35Å; Y19-I21 VanDerWaalsContact C-N 3.31Å; Y19-I21 PolarHBondContact O-N 3.39Å; I21-D24 PolarHBondContact O-N 2.98Å; I21-F25 WeakPolarHBondContact O-CB 3.49Å; I21-F25 PolarHBondContact O-N 3.27Å
22L93.8Very high91.7Very high65 Ų6581.7 Ų81.734%0.3442%0.415SS..Hα-helixtrans-66.7-38.4178.1-69.1173.3000111.6V18 Y19 F25 C26 L42 V44V18-L22 HydrophobicContact CG1-CD1 4.12Å; V18-L22 WeakPolarHBondContact O-CG 3.36Å; V18-L22 PolarHBondContact O-N 2.84Å; Y19-L22 PolarHBondContact O-N 3.38Å; L22-F25 WeakPolarHBondContact O-CB 3.44Å; L22-F25 PolarHBondContact O-N 3.05Å; L22-C26 PolarHBondContact O-N 2.84Å; L22-C26 PolarHBondContact O-SG 3Å; L22-L42 HydrophobicContact CB-CD1 3.86Å; L22-L42 HydrophobicContact CB-CD2 4.08Å; L22-L42 HydrophobicContact CD1-CD2 4.41Å; L22-V44 HydrophobicContact CD1-CG2 3.81Å
23E94.3Very high92.4Very high47 Ų4776 Ų7622%0.2240%0.401CS..Hα-helixtrans-61.8-46.1174.7-173.2179.2-163.300111.5Y19 L20 F25 C26 N27 K39 L42Y19-E23 WeakPolarHBondContact O-CB 3.26Å; Y19-E23 PolarHBondContact O-N 3.02Å; L20-E23 PolarHBondContact O-N 3.21Å; E23-F25 VanDerWaalsContact C-N 3.32Å; E23-F25 PolarHBondContact O-N 2.99Å; E23-C26 WeakPolarHBondContact O-CB 3.38Å; E23-C26 PolarHBondContact O-N 2.91Å; E23-N27 PolarHBondContact O-N 3.26Å; E23-N27 PolarHBondContact O-ND2 2.88Å; E23-K39 HydrophobicContact CG-CD 4.11Å; E23-K39 IonicContact OE1-NZ 2.86Å; E23-K39 PolarHBondContact OE1-NZ 2.87Å; E23-L42 HydrophobicContact CB-CD1 4.38Å
24D95.1Very high93Very high100 Ų10081 Ų8154%0.53542%0.418SS..Hα-helixtrans-63-39177.2-171.856.5000112.2L20 I21 N27 T28L20-D24 WeakPolarHBondContact O-CB 3.47Å; L20-D24 PolarHBondContact O-N 3.43Å; I21-D24 PolarHBondContact O-N 2.98Å; D24-N27 PolarHBondContact O-N 3.31Å; D24-T28 WeakPolarHBondContact O-CB 3.5Å; D24-T28 PolarHBondContact O-N 3Å; D24-T28 PolarHBondContact O-OG1 3.46Å
25F94.5Very high93.2Very high125 Ų12583.7 Ų83.755%0.54843%0.431SS..Hα-helixtrans-59.4-47.3172.2177.3-94.6000111.7I21 L22 E23 N27 T28 A29 I37I21-F25 WeakPolarHBondContact O-CB 3.49Å; I21-F25 PolarHBondContact O-N 3.27Å; L22-F25 WeakPolarHBondContact O-CB 3.44Å; L22-F25 PolarHBondContact O-N 3.05Å; E23-F25 VanDerWaalsContact C-N 3.32Å; E23-F25 PolarHBondContact O-N 2.99Å; F25-N27 VanDerWaalsContact C-N 3.33Å; F25-N27 PolarHBondContact O-N 3.36Å; F25-T28 PolarHBondContact O-N 2.98Å; F25-A29 WeakPolarHBondContact O-CB 3.47Å; F25-A29 PolarHBondContact O-N 3.18Å; F25-I37 HydrophobicContact CE1-CD1 4.1Å
26C93.6Very high93.3Very high8 Ų885.2 Ų85.25%0.05445%0.449CS..Hα-helixtrans-59.4-43.1176.6-69.60000111.8L22 E23 A29 Y30 I37 K39L22-C26 PolarHBondContact O-N 2.84Å; L22-C26 PolarHBondContact O-SG 3Å; E23-C26 WeakPolarHBondContact O-CB 3.38Å; E23-C26 PolarHBondContact O-N 2.91Å; C26-A29 PolarHBondContact O-N 3.3Å; C26-Y30 PolarHBondContact O-N 3.22Å; C26-Y30 VanDerWaalsContact O-N 3.1Å; C26-I37 HydrophobicContact CB-CB 4.41Å; C26-K39 HydrophobicContact CB-CB 4.1Å
27N94.1Very high93.3Very high58 Ų5884.2 Ų84.231%0.3144%0.439SS..Hα-helixtrans-64-42.9177.1-67.2-36000111.7E23 D24 F25 Y30 Q31E23-N27 PolarHBondContact O-N 3.26Å; E23-N27 PolarHBondContact O-ND2 2.88Å; D24-N27 PolarHBondContact O-N 3.31Å; F25-N27 VanDerWaalsContact C-N 3.33Å; F25-N27 PolarHBondContact O-N 3.36Å; N27-Y30 PolarHBondContact O-N 3.21Å; N27-Q31 WeakPolarHBondContact O-CG 3.48Å; N27-Q31 PolarHBondContact O-N 2.99Å; N27-Q31 VanDerWaalsContact O-N 3.13Å
28T95.3Very high93.2Very high58 Ų5884.6 Ų84.636%0.35644%0.438SS..Hα-helixtrans-66.3-42.8179.4-60.30000111.5D24 F25 Y30 Q31 T32D24-T28 WeakPolarHBondContact O-CB 3.5Å; D24-T28 PolarHBondContact O-N 3Å; D24-T28 PolarHBondContact O-OG1 3.46Å; F25-T28 PolarHBondContact O-N 2.98Å; T28-Y30 VanDerWaalsContact C-N 3.31Å; T28-Y30 PolarHBondContact O-N 2.86Å; T28-Q31 PolarHBondContact O-N 3.42Å; T28-T32 HydrophobicContact CG2-CG2 4.24Å; T28-T32 WeakPolarHBondContact O-CB 3.5Å; T28-T32 PolarHBondContact O-N 3.06Å; T28-T32 PolarHBondContact O-OG1 2.85Å
29A94.4Very high93.1Very high4 Ų485.7 Ų85.73%0.03344%0.441CS..Hα-helixtrans-61.3-40.2176.900000111.8F25 C26 M33 N34 L35 I37F25-A29 WeakPolarHBondContact O-CB 3.47Å; F25-A29 PolarHBondContact O-N 3.18Å; C26-A29 PolarHBondContact O-N 3.3Å; A29-M33 CarbonylContact O-C 3.58Å; A29-M33 WeakPolarHBondContact O-CA 3.44Å; A29-M33 WeakPolarHBondContact O-CB 3.19Å; A29-M33 PolarHBondContact O-N 3.4Å; A29-N34 PolarHBondContact O-N 2.99Å; A29-L35 PolarHBondContact O-N 3Å; A29-I37 HydrophobicContact CB-CD1 4.19Å
30Y92.7Very high92.9Very high146 Ų14691 Ų9157%0.57346%0.462SS*.Hα-helixtrans-60.9-45.5174.2-178.5-98.9000111.9C26 N27 T28 N34 L35 A36C26-Y30 PolarHBondContact O-N 3.22Å; C26-Y30 VanDerWaalsContact O-N 3.1Å; N27-Y30 PolarHBondContact O-N 3.21Å; T28-Y30 VanDerWaalsContact C-N 3.31Å; T28-Y30 PolarHBondContact O-N 2.86Å; Y30-N34 WeakPolarHBondContact O-CA 3.28Å; Y30-N34 PolarHBondContact O-N 2.99Å; Y30-L35 VanDerWaalsContact CA-O 3.3Å; Y30-L35 WeakPolarHBondContact CA-O 3.48Å; Y30-L35 PolarHBondContact N-O 2.82Å; Y30-A36 HydrophobicContact CD2-CB 4.23Å; Y30-A36 HydrophobicContact CE2-CB 4.46Å
31Q93.8Very high92.6Very high155 Ų15590.6 Ų90.672%0.72447%0.467SS*.Hα-helixtrans-74-38.9-176.6-69.5176.11000113.9N27 T28N27-Q31 WeakPolarHBondContact O-CG 3.48Å; N27-Q31 PolarHBondContact O-N 2.99Å; N27-Q31 VanDerWaalsContact O-N 3.13Å; T28-Q31 PolarHBondContact O-N 3.42Å
32T96Very high92.4Very high96 Ų9687.3 Ų87.359%0.58945%0.451SS*.Hα-helixtrans-101.2-28.3-168.957.40000113.8T28T28-T32 HydrophobicContact CG2-CG2 4.24Å; T28-T32 WeakPolarHBondContact O-CB 3.5Å; T28-T32 PolarHBondContact O-N 3.06Å; T28-T32 PolarHBondContact O-OG1 2.85Å
33M94.1Very high92.1Very high139 Ų13987.6 Ų87.669%0.68545%0.453SS*.Hα-helixtrans-117-0.1-175-56.6-178.5-17600112.7A29 L35A29-M33 CarbonylContact O-C 3.58Å; A29-M33 WeakPolarHBondContact O-CA 3.44Å; A29-M33 WeakPolarHBondContact O-CB 3.19Å; A29-M33 PolarHBondContact O-N 3.4Å; M33-L35 HydrophobicContact CB-CB 4.32Å; M33-L35 PolarHBondContact O-N 2.66Å
34N92.2Very high91.8Very high143 Ų14387.3 Ų87.377%0.76545%0.454SS*.  trans52.934.4-173.8-164.943.6000112.3A29 Y30A29-N34 PolarHBondContact O-N 2.99Å; Y30-N34 WeakPolarHBondContact O-CA 3.28Å; Y30-N34 PolarHBondContact O-N 2.99Å
35L93.8Very high91.4Very high92 Ų9286 Ų8648%0.48245%0.445SS..  trans-104.5110.6-179.8-177.368.2000109.3A29 Y30 M33 I37A29-L35 PolarHBondContact O-N 3Å; Y30-L35 VanDerWaalsContact CA-O 3.3Å; Y30-L35 WeakPolarHBondContact CA-O 3.48Å; Y30-L35 PolarHBondContact N-O 2.82Å; M33-L35 HydrophobicContact CB-CB 4.32Å; M33-L35 PolarHBondContact O-N 2.66Å; L35-I37 HydrophobicContact CD2-CD1 3.91Å; L35-I37 HydrophobicContact CD2-CG1 4.02Å; L35-I37 HydrophobicContact CG-CD1 4.4Å; L35-I37 HydrophobicContact CG-CG1 3.98Å; L35-I37 PolarHBondContact O-N 2.7Å
36A90Very high90.9Very high82 Ų8282.4 Ų82.468%0.67844%0.435SS*.  trans-82.5107.7175.100000110.2Y30Y30-A36 HydrophobicContact CD2-CB 4.23Å; Y30-A36 HydrophobicContact CE2-CB 4.46Å
37I90.1Very high90.1Very high67 Ų6785.4 Ų85.434%0.34447%0.467SS..  trans-106129.7172-54.4175.6000107.5F25 C26 A29 L35 K39F25-I37 HydrophobicContact CE1-CD1 4.1Å; C26-I37 HydrophobicContact CB-CB 4.41Å; A29-I37 HydrophobicContact CB-CD1 4.19Å; L35-I37 HydrophobicContact CD2-CD1 3.91Å; L35-I37 HydrophobicContact CD2-CG1 4.02Å; L35-I37 HydrophobicContact CG-CD1 4.4Å; L35-I37 HydrophobicContact CG-CG1 3.98Å; L35-I37 PolarHBondContact O-N 2.7Å; I37-K39 PolarHBondContact O-N 2.89Å
38D89.7Confident89.3Confident88 Ų8890.1 Ų90.147%0.47149%0.492SS..  trans-69.9101.5176.5179.519.2000111.1Y40 S41D38-Y40 VanDerWaalsContact C-N 3.27Å; D38-Y40 PolarHBondContact O-N 3.32Å; D38-Y40 WeakPolarHBondContact OD1-CD2 3.41Å; D38-Y40 PolarHBondContact OD1-N 3.44Å; D38-S41 PolarHBondContact O-N 3.31Å; D38-S41 WeakPolarHBondContact OD2-CB 3.44Å; D38-S41 PolarHBondContact OD2-OG 3.36Å
39K88.7Confident88.4Confident47 Ų4795.7 Ų95.720%0.20451%0.514CS..G310 helixtrans-70.4-20.8178.968.7174.9-166.7158.70113.8E23 C26 I37 S41 L42E23-K39 HydrophobicContact CG-CD 4.11Å; E23-K39 IonicContact OE1-NZ 2.86Å; E23-K39 PolarHBondContact OE1-NZ 2.87Å; C26-K39 HydrophobicContact CB-CB 4.1Å; I37-K39 PolarHBondContact O-N 2.89Å; K39-S41 VanDerWaalsContact C-N 3.28Å; K39-L42 HydrophobicContact CB-CD1 4.28Å; K39-L42 VanDerWaalsContact O-CB 3.32Å; K39-L42 WeakPolarHBondContact O-CB 3.47Å; K39-L42 WeakPolarHBondContact O-CG 3.3Å; K39-L42 PolarHBondContact O-N 3.1Å
40Y87.4Confident87.8Confident185 Ų18596.5 Ų96.573%0.72552%0.521SS*.G310 helixtrans-79.2-18-179.5-57.6-70.5000112.3D38 L42D38-Y40 VanDerWaalsContact C-N 3.27Å; D38-Y40 PolarHBondContact O-N 3.32Å; D38-Y40 WeakPolarHBondContact OD1-CD2 3.41Å; D38-Y40 PolarHBondContact OD1-N 3.44Å; Y40-L42 VanDerWaalsContact C-N 3.26Å
41S88.4Confident87.4Confident89 Ų8993.7 Ų93.762%0.62252%0.516SS*.G310 helixtrans-82.71.1170.7-69.60000113.3D38 K39 D43D38-S41 PolarHBondContact O-N 3.31Å; D38-S41 WeakPolarHBondContact OD2-CB 3.44Å; D38-S41 PolarHBondContact OD2-OG 3.36Å; K39-S41 VanDerWaalsContact C-N 3.28Å; S41-D43 PolarHBondContact O-N 3.32Å
42L88.3Confident87.1Confident39 Ų3988.2 Ų88.220%0.20449%0.494CS..  trans-68.8116.6174-69.5174.4000110Y19 L22 E23 K39 Y40Y19-L42 HydrophobicContact CD2-CB 4.25Å; Y19-L42 HydrophobicContact CE2-CB 3.84Å; Y19-L42 WeakPolarHBondContact CE2-O 3.21Å; L22-L42 HydrophobicContact CB-CD1 3.86Å; L22-L42 HydrophobicContact CB-CD2 4.08Å; L22-L42 HydrophobicContact CD1-CD2 4.41Å; E23-L42 HydrophobicContact CB-CD1 4.38Å; K39-L42 HydrophobicContact CB-CD1 4.28Å; K39-L42 VanDerWaalsContact O-CB 3.32Å; K39-L42 WeakPolarHBondContact O-CB 3.47Å; K39-L42 WeakPolarHBondContact O-CG 3.3Å; K39-L42 PolarHBondContact O-N 3.1Å; Y40-L42 VanDerWaalsContact C-N 3.26Å
43D87.2Confident86.8Confident72 Ų7285.1 Ų85.139%0.38548%0.476SS..  trans-125.2117.7179.8-174.415.9000109.5S41 K54 F55S41-D43 PolarHBondContact O-N 3.32Å; D43-K54 IonicContact OD1-NZ 2.82Å; D43-K54 WeakPolarHBondContact OD2-CE 3.21Å; D43-K54 IonicContact OD2-NZ 3.61Å; D43-K54 PolarHBondContact OD2-NZ 2.89Å; D43-F55 HydrophobicContact CB-CE1 3.89Å; D43-F55 HydrophobicContact CB-CZ 4.39Å; D43-F55 WeakPolarHBondContact OD2-CE1 3.34Å; D43-F55 WeakPolarHBondContact OD2-CZ 2.98Å
44V88.6Confident86.4Confident40 Ų4083.5 Ų83.524%0.24247%0.465CS..  trans-130.3108.2-172.9-177.40000108.6V18 Y19 L22V18-V44 HydrophobicContact CB-CG1 4.13Å; V18-V44 HydrophobicContact CG1-CG1 3.88Å; V18-V44 HydrophobicContact CG1-CG2 4.42Å; Y19-V44 HydrophobicContact CD2-CG2 4.38Å; L22-V44 HydrophobicContact CD1-CG2 3.81Å
45E87Confident85.9Confident74 Ų7478.6 Ų78.635%0.34644%0.437SS..  trans-114.6155.5178.7-67.5-177.6176.200111.4A50 K54 F55E45-A50 HydrophobicContact CB-CB 3.7Å; E45-A50 VanDerWaalsContact OE2-CA 3.28Å; E45-A50 WeakPolarHBondContact OE2-CA 3.48Å; E45-K54 IonicContact OE1-NZ 2.73Å; E45-K54 PolarHBondContact OE1-NZ 3.41Å; E45-F55 HydrophobicContact CB-CE2 4.08Å; E45-F55 HydrophobicContact CB-CZ 4.15Å; E45-F55 HydrophobicContact CG-CE2 4.19Å; E45-F55 HydrophobicContact CG-CZ 3.92Å; E45-F55 WeakPolarHBondContact OE2-CE2 3.34Å
46S84.2Confident85.6Confident49 Ų4976.9 Ų76.934%0.34343%0.427SS..  trans-73.3137.7172.3-176.40000109.5D48 Q49 A50S46-D48 PolarHBondContact O-N 3.13Å; S46-Q49 PolarHBondContact O-N 3.5Å; S46-A50 VanDerWaalsContact O-CB 3.23Å; S46-A50 WeakPolarHBondContact O-CB 3.36Å; S46-A50 PolarHBondContact O-N 3.21Å
47G76.3Confident85.4Confident71 Ų7176.2 Ų76.273%0.73242%0.421SS*.THydrogen-bonded Turntrans-56.7-25.5179.700000114.6
48D76.8Confident85.5Confident156 Ų15674.8 Ų74.883%0.83442%0.416SS*.THydrogen-bonded Turntrans-76.4-21179-57.2-33.6000113.7S46S46-D48 PolarHBondContact O-N 3.13Å
49Q76.5Confident85.6Confident175 Ų17572.9 Ų72.982%0.81841%0.406SS*.THydrogen-bonded Turntrans-120.1-13.1-176-66.1179.210.200112.8S46S46-Q49 PolarHBondContact O-N 3.5Å
50A81.3Confident85.8Confident22 Ų2277.9 Ų77.918%0.18243%0.43CS..SBendtrans-70.3136.9-176.700000111E45 S46 P52 F55E45-A50 HydrophobicContact CB-CB 3.7Å; E45-A50 VanDerWaalsContact OE2-CA 3.28Å; E45-A50 WeakPolarHBondContact OE2-CA 3.48Å; S46-A50 VanDerWaalsContact O-CB 3.23Å; S46-A50 WeakPolarHBondContact O-CB 3.36Å; S46-A50 PolarHBondContact O-N 3.21Å; A50-P52 WeakPolarHBondContact O-CD 3.33Å; A50-F55 HydrophobicContact CB-CE2 4.18Å
51D85.6Confident86.1Confident86 Ų8672.6 Ų72.646%0.4641%0.41SS..  trans-68.9114.3163.9176.7-0.8000108.5C53 K54D51-C53 PolarHBondContact O-N 3.43Å; D51-C53 PolarHBondContact OD1-N 3.2Å; D51-K54 HydrophobicContact CB-CB 3.93Å; D51-K54 WeakPolarHBondContact O-CB 3.19Å; D51-K54 PolarHBondContact O-N 3.3Å
52P86.6Confident86.4Confident41 Ų4169 Ų6927%0.26639%0.386SS..THydrogen-bonded Turntrans-60.6-29.5-177.9-23.135.7000112.9A50 V66 A73A50-P52 WeakPolarHBondContact O-CD 3.33Å; P52-V66 HydrophobicContact CB-CG2 4.1Å; P52-V66 HydrophobicContact CG-CG1 4.23Å; P52-V66 HydrophobicContact CG-CG2 4.15Å; P52-A73 VanDerWaalsContact C-CB 3.44Å; P52-A73 HydrophobicContact CB-CB 3.54Å; P52-A73 WeakPolarHBondContact O-CB 3.31Å
53C89.6Confident86.7Confident31 Ų3171.9 Ų71.921%0.20940%0.398CS..THydrogen-bonded Turntrans-81.4-23.7-178.2-80.30000113.8D51 F55 Q56 C64D51-C53 PolarHBondContact O-N 3.43Å; D51-C53 PolarHBondContact OD1-N 3.2Å; C53-F55 PolarHBondContact O-N 2.86Å; C53-Q56 PolarHBondContact O-N 3.21Å; C53-C64 WeakPolarHBondContact CA-SG 3.04Å; C53-C64 HydrophobicContact CB-CB 3.7Å; C53-C64 WeakPolarHBondContact CB-SG 3.4Å; C53-C64 VanDerWaalsContact SG-C 3.51Å; C53-C64 WeakPolarHBondContact SG-CB 3.32Å; C53-C64 CovalentContact SG-SG 2.04Å; C53-C64 PolarHBondContact SG-SG 3.18Å
54K86.8Confident87Confident105 Ų10570.4 Ų70.446%0.45739%0.392SS..THydrogen-bonded Turntrans-57.7-35.7175.7-171.6-172.7-170.1-162.40112.6D43 E45 D51D43-K54 IonicContact OD1-NZ 2.82Å; D43-K54 WeakPolarHBondContact OD2-CE 3.21Å; D43-K54 IonicContact OD2-NZ 3.61Å; D43-K54 PolarHBondContact OD2-NZ 2.89Å; E45-K54 IonicContact OE1-NZ 2.73Å; E45-K54 PolarHBondContact OE1-NZ 3.41Å; D51-K54 HydrophobicContact CB-CB 3.93Å; D51-K54 WeakPolarHBondContact O-CB 3.19Å; D51-K54 PolarHBondContact O-N 3.3Å
55F81.6Confident87.2Confident40 Ų4073.4 Ų73.418%0.17540%0.402CS..THydrogen-bonded Turntrans-102.84.7-177.4-57.7-74.1000113.8N1 D43 E45 A50 C53N1-F55 WeakPolarHBondContact CA-O 3.46Å; N1-F55 WeakPolarHBondContact CB-O 3.04Å; N1-F55 PolarHBondContact OD1-O 3.27Å; D43-F55 HydrophobicContact CB-CE1 3.89Å; D43-F55 HydrophobicContact CB-CZ 4.39Å; D43-F55 WeakPolarHBondContact OD2-CE1 3.34Å; D43-F55 WeakPolarHBondContact OD2-CZ 2.98Å; E45-F55 HydrophobicContact CB-CE2 4.08Å; E45-F55 HydrophobicContact CB-CZ 4.15Å; E45-F55 HydrophobicContact CG-CE2 4.19Å; E45-F55 HydrophobicContact CG-CZ 3.92Å; E45-F55 WeakPolarHBondContact OE2-CE2 3.34Å; A50-F55 HydrophobicContact CB-CE2 4.18Å; C53-F55 PolarHBondContact O-N 2.86Å
56Q86.7Confident87.4Confident56 Ų5673 Ų7326%0.26240%0.404SS..  trans-91120.6178.7-171.765.712.400109.9C53 C58 A73 C75C53-Q56 PolarHBondContact O-N 3.21Å; Q56-C58 PolarHBondContact O-N 3.24Å; Q56-A73 HydrophobicContact CB-CB 4.07Å; Q56-A73 HydrophobicContact CG-CB 4.27Å; Q56-C75 VanDerWaalsContact CG-SG 3.59Å; Q56-C75 PolarHBondContact NE2-SG 3.25Å; Q56-C75 VanDerWaalsContact NE2-SG 3.43Å
57A86.1Confident87.7Confident67 Ų6772.8 Ų72.855%0.55440%0.399SS*.  trans-89.681.8177.400000111.2N1N1-A57 VanDerWaalsContact ND2-CB 3.31Å; N1-A57 WeakPolarHBondContact ND2-CB 3.29Å
58C91.4Very high88.2Confident37 Ų3778.9 Ų78.925%0.2541%0.406CS..  trans-84146164.9-51.80000109.4Q56 A62 C75Q56-C58 PolarHBondContact O-N 3.24Å; C58-A62 HydrophobicContact CB-CB 3.97Å; C58-C75 WeakPolarHBondContact CA-SG 3.32Å; C58-C75 HydrophobicContact CB-CB 3.94Å; C58-C75 WeakPolarHBondContact CB-SG 3.47Å; C58-C75 WeakPolarHBondContact SG-CA 3.38Å; C58-C75 WeakPolarHBondContact SG-CB 3.5Å; C58-C75 CovalentContact SG-SG 2.04Å; C58-C75 PolarHBondContact SG-SG 2.86Å
59N93.1Very high88.8Confident48 Ų4882.9 Ų82.926%0.25741%0.41SS..  trans-80.3177.1171.365.4-20.6000111Y61 A62 P88 C89N59-Y61 PolarHBondContact O-N 2.04Å; N59-Y61 VanDerWaalsContact O-N 3.1Å; N59-A62 PolarHBondContact O-N 2.93Å; N59-A62 VanDerWaalsContact O-N 3.12Å; N59-P88 HydrophobicContact CB-CB 4.16Å; N59-C89 PolarHBondContact ND2-N 2.86Å; N59-C89 PolarHBondContact ND2-O 3.12Å; N59-C89 PolarHBondContact OD1-N 3.36Å
60E92.8Very high89.2Confident152 Ų15277.3 Ų77.371%0.7139%0.39SS*.THydrogen-bonded Turntrans-61.6-18.5-177.762.1179.6162.400114.5A62E60-A62 VanDerWaalsContact C-N 3.33Å
61Y94.2Very high89.3Confident75 Ų7578.3 Ų78.329%0.29440%0.402SS..THydrogen-bonded Turntrans-93.813.4179-48.1-53000113.7N59 N78 Y81 C89N59-Y61 PolarHBondContact O-N 2.04Å; N59-Y61 VanDerWaalsContact O-N 3.1Å; Y61-N78 VanDerWaalsContact C-ND2 3.26Å; Y61-N78 WeakPolarHBondContact O-CB 3.36Å; Y61-N78 PolarHBondContact O-N 3.2Å; Y61-N78 PolarHBondContact O-ND2 3.21Å; Y61-Y81 VanDerWaalsContact CB-CD1 3.4Å; Y61-Y81 AromaticContact CD1-CD1 3.98Å; Y61-Y81 HydrophobicContact CD1-CD1 3.98Å; Y61-Y81 AromaticContact CD1-CE1 3.26Å; Y61-Y81 HydrophobicContact CD1-CE1 3.26Å; Y61-Y81 HydrophobicContact CD1-CE2 4.22Å; Y61-Y81 AromaticContact CD1-CZ 3.4Å; Y61-Y81 VanDerWaalsContact CD1-CZ 3.4Å; Y61-Y81 WeakPolarHBondContact CD1-OH 3.26Å; Y61-Y81 AromaticContact CD2-CD1 3.93Å; Y61-Y81 HydrophobicContact CD2-CD1 3.93Å; Y61-Y81 AromaticContact CD2-CE1 3.75Å; Y61-Y81 HydrophobicContact CD2-CE1 3.75Å; Y61-Y81 AromaticContact CE1-CE1 3.82Å; Y61-Y81 HydrophobicContact CE1-CE1 3.82Å; Y61-Y81 AromaticContact CE1-CZ 3.98Å; Y61-Y81 HydrophobicContact CE2-CE1 4.24Å; Y61-Y81 AromaticContact CG-CD1 3.49Å; Y61-Y81 HydrophobicContact CG-CD1 3.49Å; Y61-Y81 VanDerWaalsContact CG-CD1 3.49Å; Y61-Y81 AromaticContact CG-CE1 3.24Å; Y61-Y81 HydrophobicContact CG-CE1 3.24Å; Y61-Y81 HydrophobicContact CG-CG 4.27Å; Y61-Y81 AromaticContact CG-CZ 3.84Å; Y61-C89 WeakPolarHBondContact CD2-O 3.42Å
62A94.9Very high89.3Confident14 Ų1478.2 Ų78.212%0.11640%0.399CS..EExtended strand (participates in β ladder)trans-140.4148-177.400000112.1C58 N59 E60 C75 V76 C89C58-A62 HydrophobicContact CB-CB 3.97Å; N59-A62 PolarHBondContact O-N 2.93Å; N59-A62 VanDerWaalsContact O-N 3.12Å; E60-A62 VanDerWaalsContact C-N 3.33Å; A62-C75 HydrophobicContact CB-CB 4.31Å; A62-V76 CarbonylContact C-O 3.58Å; A62-V76 VanDerWaalsContact CA-O 3.32Å; A62-V76 WeakPolarHBondContact CA-O 3.09Å; A62-C89 HydrophobicContact CB-CB 4.34Å
63E93.3Very high89.4Confident99 Ų9976.5 Ų76.546%0.46339%0.388SS..EExtended strand (participates in β ladder)trans-105.7137171.9-69.3178.8169.800109.8K65 V76E63-K65 WeakPolarHBondContact OE2-CE 3.05Å; E63-K65 IonicContact OE2-NZ 2.66Å; E63-K65 PolarHBondContact OE2-NZ 2.64Å; E63-V76 PolarHBondContact N-O 2.04Å; E63-V76 PolarHBondContact O-N 2.84Å
64C93.6Very high89.4Confident40 Ų4079.3 Ų79.327%0.2740%0.398SS..EExtended strand (participates in β ladder)trans-77.5127.2169.6-175.10000110.4C53C53-C64 WeakPolarHBondContact CA-SG 3.04Å; C53-C64 HydrophobicContact CB-CB 3.7Å; C53-C64 WeakPolarHBondContact CB-SG 3.4Å; C53-C64 VanDerWaalsContact SG-C 3.51Å; C53-C64 WeakPolarHBondContact SG-CB 3.32Å; C53-C64 CovalentContact SG-SG 2.04Å; C53-C64 PolarHBondContact SG-SG 3.18Å
65K93.3Very high89.7Confident104 Ų10476.6 Ų76.645%0.45239%0.392SS..EExtended strand (participates in β ladder)trans-127.9137.1174-66.7-176.4179.1161.80109.8E63 E74 V76E63-K65 WeakPolarHBondContact OE2-CE 3.05Å; E63-K65 IonicContact OE2-NZ 2.66Å; E63-K65 PolarHBondContact OE2-NZ 2.64Å; K65-E74 PolarHBondContact N-O 3.42Å; K65-E74 PolarHBondContact O-N 3.45Å; K65-V76 HydrophobicContact CB-CG2 4.13Å; K65-V76 HydrophobicContact CD-CB 4.39Å; K65-V76 HydrophobicContact CD-CG2 4.16Å; K65-V76 HydrophobicContact CG-CG2 4.32Å
66V91.4Very high90.2Very high64 Ų6477.6 Ų77.639%0.38840%0.401SS..EExtended strand (participates in β ladder)trans-89123.2175.8-174.60000109P52 K68P52-V66 HydrophobicContact CB-CG2 4.1Å; P52-V66 HydrophobicContact CG-CG1 4.23Å; P52-V66 HydrophobicContact CG-CG2 4.15Å; V66-K68 PolarHBondContact O-N 3.42Å
67N89.8Confident90.6Very high45 Ų4576.5 Ų76.524%0.24140%0.4CS..  trans-68.2124175.9-177.7-31.5000109.9W69 S70 G71 E72 E74N67-W69 VanDerWaalsContact C-N 3.25Å; N67-W69 PolarHBondContact O-N 3.38Å; N67-W69 PolarHBondContact OD1-N 2.61Å; N67-S70 VanDerWaalsContact CB-OG 3.26Å; N67-S70 WeakPolarHBondContact CB-OG 3.38Å; N67-S70 VanDerWaalsContact CG-OG 3.24Å; N67-S70 PolarHBondContact ND2-OG 3.01Å; N67-S70 PolarHBondContact OD1-N 3.01Å; N67-G71 WeakPolarHBondContact O-CA 3.38Å; N67-G71 PolarHBondContact O-N 2.59Å; N67-E72 WeakPolarHBondContact CB-O 3.45Å; N67-E72 PolarHBondContact N-O 3.21Å; N67-E74 PolarHBondContact ND2-OE1 3.01Å
68K88Confident91.1Very high199 Ų19975.8 Ų75.887%0.86539%0.387SS*.THydrogen-bonded Turntrans-67.1-22.5-174.9-65.7-173.3-179.2179.80114V66V66-K68 PolarHBondContact O-N 3.42Å
69W87.8Confident91.3Very high241 Ų24176.2 Ų76.291%0.91339%0.393SS*.THydrogen-bonded Turntrans-94.3-44.2-178.2-69.3-85.1000112.8N67N67-W69 VanDerWaalsContact C-N 3.25Å; N67-W69 PolarHBondContact O-N 3.38Å; N67-W69 PolarHBondContact OD1-N 2.61Å
70S85.8Confident91.3Very high58 Ų5874.5 Ų74.541%0.40639%0.386SS..THydrogen-bonded Turntrans-86.7-21.9179.363.60000113.1N67 E72N67-S70 VanDerWaalsContact CB-OG 3.26Å; N67-S70 WeakPolarHBondContact CB-OG 3.38Å; N67-S70 VanDerWaalsContact CG-OG 3.24Å; N67-S70 PolarHBondContact ND2-OG 3.01Å; N67-S70 PolarHBondContact OD1-N 3.01Å; S70-E72 PolarHBondContact O-N 3.12Å; S70-E72 WeakPolarHBondContact OG-CB 3.24Å; S70-E72 PolarHBondContact OG-N 3.4Å
71G83.8Confident91.4Very high42 Ų4269.3 Ų69.343%0.43336%0.36SS..  trans70.79.3-169.500000113.2N67N67-G71 WeakPolarHBondContact O-CA 3.38Å; N67-G71 PolarHBondContact O-N 2.59Å
72E84.6Confident91.4Very high84 Ų8471 Ų7139%0.39337%0.369SS..  trans-90.6138.1-176.3-62.1-174.6159.100111.1K5 N67 S70K5-E72 IonicContact NZ-OE1 3.62Å; N67-E72 WeakPolarHBondContact CB-O 3.45Å; N67-E72 PolarHBondContact N-O 3.21Å; S70-E72 PolarHBondContact O-N 3.12Å; S70-E72 WeakPolarHBondContact OG-CB 3.24Å; S70-E72 PolarHBondContact OG-N 3.4Å
73A89.3Confident91.3Very high6 Ų673.2 Ų73.25%0.0538%0.384CS..EExtended strand (participates in β ladder)trans-73.8130.2168.900000110.9R3 P52 Q56R3-A73 PolarHBondContact NH2-O 3.41Å; P52-A73 VanDerWaalsContact C-CB 3.44Å; P52-A73 HydrophobicContact CB-CB 3.54Å; P52-A73 WeakPolarHBondContact O-CB 3.31Å; Q56-A73 HydrophobicContact CB-CB 4.07Å; Q56-A73 HydrophobicContact CG-CB 4.27Å
74E89.4Confident91.2Very high89 Ų8971.8 Ų71.842%0.41638%0.381SS..EExtended strand (participates in β ladder)trans-125.4141.1177.3-66.9173.1-157.300109.1K65 N67K65-E74 PolarHBondContact N-O 3.42Å; K65-E74 PolarHBondContact O-N 3.45Å; N67-E74 PolarHBondContact ND2-OE1 3.01Å
75C92.4Very high90.9Very high48 Ų4877.3 Ų77.332%0.32441%0.409SS..EExtended strand (participates in β ladder)trans-84.7120.7171.4-63.80000109Q56 C58 A62Q56-C75 VanDerWaalsContact CG-SG 3.59Å; Q56-C75 PolarHBondContact NE2-SG 3.25Å; Q56-C75 VanDerWaalsContact NE2-SG 3.43Å; C58-C75 WeakPolarHBondContact CA-SG 3.32Å; C58-C75 HydrophobicContact CB-CB 3.94Å; C58-C75 WeakPolarHBondContact CB-SG 3.47Å; C58-C75 WeakPolarHBondContact SG-CA 3.38Å; C58-C75 WeakPolarHBondContact SG-CB 3.5Å; C58-C75 CovalentContact SG-SG 2.04Å; C58-C75 PolarHBondContact SG-SG 2.86Å; A62-C75 HydrophobicContact CB-CB 4.31Å
76V93.2Very high90.4Very high61 Ų6175.9 Ų75.937%0.3742%0.423SS..EExtended strand (participates in β ladder)trans-106.2119176.9-178.30000107.8A62 E63 K65A62-V76 CarbonylContact C-O 3.58Å; A62-V76 VanDerWaalsContact CA-O 3.32Å; A62-V76 WeakPolarHBondContact CA-O 3.09Å; E63-V76 PolarHBondContact N-O 2.04Å; E63-V76 PolarHBondContact O-N 2.84Å; K65-V76 HydrophobicContact CB-CG2 4.13Å; K65-V76 HydrophobicContact CD-CB 4.39Å; K65-V76 HydrophobicContact CD-CG2 4.16Å; K65-V76 HydrophobicContact CG-CG2 4.32Å
77C95.5Very high90.2Very high34 Ų3478.2 Ų78.223%0.2343%0.433CS..EExtended strand (participates in β ladder)trans-64.2145179.2-54.70000111.3Y81 S83 C89C77-Y81 WeakPolarHBondContact CB-O 3.22Å; C77-S83 PolarHBondContact SG-N 2.03Å; C77-S83 VanDerWaalsContact SG-N 3.4Å; C77-C89 WeakPolarHBondContact CA-SG 2.92Å; C77-C89 HydrophobicContact CB-CB 3.75Å; C77-C89 WeakPolarHBondContact CB-SG 3.5Å; C77-C89 WeakPolarHBondContact SG-CB 3.48Å; C77-C89 CovalentContact SG-SG 2.03Å; C77-C89 PolarHBondContact SG-SG 3.1Å
78N95.4Very high90.3Very high52 Ų5280.4 Ų80.428%0.27845%0.45SS..PPolyproline II helixtrans-66.8160.2171.9-67-26.7000110.7Y61 G80 Y81Y61-N78 VanDerWaalsContact C-ND2 3.26Å; Y61-N78 WeakPolarHBondContact O-CB 3.36Å; Y61-N78 PolarHBondContact O-N 3.2Å; Y61-N78 PolarHBondContact O-ND2 3.21Å; N78-G80 PolarHBondContact O-N 2.86Å; N78-Y81 HydrophobicContact CB-CD2 3.93Å; N78-Y81 HydrophobicContact CB-CE2 4.43Å; N78-Y81 WeakPolarHBondContact O-CB 3.46Å; N78-Y81 PolarHBondContact O-N 3.33Å
79A95.1Very high90.6Very high46 Ų4671.2 Ų71.238%0.3841%0.41SS..THydrogen-bonded Turntrans-54.1130.5176.900000110.9Y81A79-Y81 WeakPolarHBondContact O-CD2 3.05Å
80G94.1Very high91Very high11 Ų1163.6 Ų63.611%0.11339%0.385CS..THydrogen-bonded Turntrans86.10.9-17700000115.2N78 I92N78-G80 PolarHBondContact O-N 2.86Å; G80-I92 WeakPolarHBondContact O-CG2 3.46Å; G80-I92 PolarHBondContact O-N 3.33Å
81Y95.6Very high91.4Very high44 Ų4461.1 Ų61.117%0.17337%0.368CS..EExtended strand (participates in β ladder)trans-118.1146.8175.7-61.6-96.7000111.1Y61 C77 N78 A79 Q90 I108Y61-Y81 VanDerWaalsContact CB-CD1 3.4Å; Y61-Y81 AromaticContact CD1-CD1 3.98Å; Y61-Y81 HydrophobicContact CD1-CD1 3.98Å; Y61-Y81 AromaticContact CD1-CE1 3.26Å; Y61-Y81 HydrophobicContact CD1-CE1 3.26Å; Y61-Y81 HydrophobicContact CD1-CE2 4.22Å; Y61-Y81 AromaticContact CD1-CZ 3.4Å; Y61-Y81 VanDerWaalsContact CD1-CZ 3.4Å; Y61-Y81 WeakPolarHBondContact CD1-OH 3.26Å; Y61-Y81 AromaticContact CD2-CD1 3.93Å; Y61-Y81 HydrophobicContact CD2-CD1 3.93Å; Y61-Y81 AromaticContact CD2-CE1 3.75Å; Y61-Y81 HydrophobicContact CD2-CE1 3.75Å; Y61-Y81 AromaticContact CE1-CE1 3.82Å; Y61-Y81 HydrophobicContact CE1-CE1 3.82Å; Y61-Y81 AromaticContact CE1-CZ 3.98Å; Y61-Y81 HydrophobicContact CE2-CE1 4.24Å; Y61-Y81 AromaticContact CG-CD1 3.49Å; Y61-Y81 HydrophobicContact CG-CD1 3.49Å; Y61-Y81 VanDerWaalsContact CG-CD1 3.49Å; Y61-Y81 AromaticContact CG-CE1 3.24Å; Y61-Y81 HydrophobicContact CG-CE1 3.24Å; Y61-Y81 HydrophobicContact CG-CG 4.27Å; Y61-Y81 AromaticContact CG-CZ 3.84Å; C77-Y81 WeakPolarHBondContact CB-O 3.22Å; N78-Y81 HydrophobicContact CB-CD2 3.93Å; N78-Y81 HydrophobicContact CB-CE2 4.43Å; N78-Y81 WeakPolarHBondContact O-CB 3.46Å; N78-Y81 PolarHBondContact O-N 3.33Å; A79-Y81 WeakPolarHBondContact O-CD2 3.05Å; Y81-Q90 CarbonylContact C-O 3.48Å; Y81-Q90 VanDerWaalsContact CA-O 3.26Å; Y81-Q90 WeakPolarHBondContact CA-O 3.11Å; Y81-I108 HydrophobicContact CD2-CG2 4.45Å; Y81-I108 HydrophobicContact CE2-CG2 3.67Å
82F93.6Very high91.9Very high111 Ų11160.2 Ų60.249%0.48735%0.353SS..EExtended strand (participates in β ladder)trans-136.4144.7-179.3-66.4-91000111.1C89 Q90 I92 L95F82-C89 WeakPolarHBondContact O-CA 3.05Å; F82-Q90 PolarHBondContact N-O 2.86Å; F82-Q90 PolarHBondContact O-N 2.86Å; F82-I92 HydrophobicContact CD2-CB 3.96Å; F82-I92 HydrophobicContact CD2-CD1 4.21Å; F82-I92 HydrophobicContact CD2-CG1 4.36Å; F82-I92 HydrophobicContact CE2-CB 4.04Å; F82-I92 HydrophobicContact CE2-CD1 3.71Å; F82-I92 HydrophobicContact CE2-CG1 4.31Å; F82-I92 HydrophobicContact CZ-CD1 4.5Å; F82-L95 HydrophobicContact CB-CD1 3.94Å
83S93.1Very high92.4Very high59 Ų5957.6 Ų57.641%0.41334%0.343SS..  trans-98.2125.5169.81730000108.2C77 L87C77-S83 PolarHBondContact SG-N 2.03Å; C77-S83 VanDerWaalsContact SG-N 3.4Å; S83-L87 WeakPolarHBondContact CB-O 3.4Å; S83-L87 PolarHBondContact OG-O 2.99Å
84V90.5Very high92.5Very high69 Ų6962.8 Ų62.842%0.41837%0.367SS..SBendtrans-111.9129.9176.2-176.20000107.5G86 L87 L95V84-G86 PolarHBondContact O-N 3.47Å; V84-G86 VanDerWaalsContact O-N 3.12Å; V84-L87 VanDerWaalsContact O-CB 3.24Å; V84-L87 WeakPolarHBondContact O-CB 3.39Å; V84-L87 WeakPolarHBondContact O-CG 3.06Å; V84-L87 PolarHBondContact O-N 3.42Å; V84-L95 HydrophobicContact CG2-CD1 4.02Å; V84-L95 HydrophobicContact CG2-CD2 4.1Å
85D87.4Confident92.7Very high157 Ų15761.9 Ų61.984%0.8436%0.364SS*.THydrogen-bonded Turntrans5530.1178.2-58.7-39.4000115.5L87D85-L87 PolarHBondContact O-N 2.75Å
86G82.3Confident92.6Very high74 Ų7463.7 Ų63.776%0.76337%0.368SS*.THydrogen-bonded Turntrans73.612.2-179.100000114.1V84V84-G86 PolarHBondContact O-N 3.47Å; V84-G86 VanDerWaalsContact O-N 3.12Å
87L87.1Confident92.4Very high112 Ų11266.9 Ų66.959%0.58639%0.388SS*.PPolyproline II helixtrans-72.5158.3169.7-64.1171.7000110.9S83 V84 D85S83-L87 WeakPolarHBondContact CB-O 3.4Å; S83-L87 PolarHBondContact OG-O 2.99Å; V84-L87 VanDerWaalsContact O-CB 3.24Å; V84-L87 WeakPolarHBondContact O-CB 3.39Å; V84-L87 WeakPolarHBondContact O-CG 3.06Å; V84-L87 PolarHBondContact O-N 3.42Å; D85-L87 PolarHBondContact O-N 2.75Å
88P92Very high92.2Very high91 Ų9169.9 Ų69.959%0.59140%0.402SS*.PPolyproline II helixtrans-52.6149.1172.6-24.534.2000112.1N59 Q90N59-P88 HydrophobicContact CB-CB 4.16Å; P88-Q90 PolarHBondContact O-N 3.28Å
89C95.2Very high92.2Very high6 Ų668.9 Ų68.94%0.04140%0.395CS..PPolyproline II helixtrans-59.5129.4-176.5-62.30000111N59 Y61 A62 C77 F82N59-C89 PolarHBondContact ND2-N 2.86Å; N59-C89 PolarHBondContact ND2-O 3.12Å; N59-C89 PolarHBondContact OD1-N 3.36Å; Y61-C89 WeakPolarHBondContact CD2-O 3.42Å; A62-C89 HydrophobicContact CB-CB 4.34Å; C77-C89 WeakPolarHBondContact CA-SG 2.92Å; C77-C89 HydrophobicContact CB-CB 3.75Å; C77-C89 WeakPolarHBondContact CB-SG 3.5Å; C77-C89 WeakPolarHBondContact SG-CB 3.48Å; C77-C89 CovalentContact SG-SG 2.03Å; C77-C89 PolarHBondContact SG-SG 3.1Å; F82-C89 WeakPolarHBondContact O-CA 3.05Å
90Q94.8Very high92.2Very high81 Ų8167.3 Ų67.338%0.37938%0.381SS..EExtended strand (participates in β ladder)trans-120.1153.8177.7-169.1170.521.200110.1Y81 F82 P88 E94 L95Y81-Q90 CarbonylContact C-O 3.48Å; Y81-Q90 VanDerWaalsContact CA-O 3.26Å; Y81-Q90 WeakPolarHBondContact CA-O 3.11Å; F82-Q90 PolarHBondContact N-O 2.86Å; F82-Q90 PolarHBondContact O-N 2.86Å; P88-Q90 PolarHBondContact O-N 3.28Å; Q90-E94 HydrophobicContact CG-CB 4.09Å; Q90-E94 WeakPolarHBondContact CG-OE2 3.35Å; Q90-E94 PolarHBondContact NE2-OE2 2.74Å; Q90-L95 HydrophobicContact CB-CD1 4.14Å; Q90-L95 HydrophobicContact CB-CD2 4.14Å; Q90-L95 HydrophobicContact CB-CG 4.02Å; Q90-L95 HydrophobicContact CG-CD2 4.36Å; Q90-L95 HydrophobicContact CG-CG 4.18Å; Q90-L95 VanDerWaalsContact OE1-CD2 3.29Å
91S94.4Very high92.2Very high7 Ų770.2 Ų70.25%0.04939%0.393CS..EExtended strand (participates in β ladder)trans-65.3140.3-179.671.50000110.2C93 E94 L95S91-C93 PolarHBondContact O-N 3.15Å; S91-E94 PolarHBondContact O-N 2.82Å; S91-E94 VanDerWaalsContact O-N 3.09Å; S91-E94 WeakPolarHBondContact OG-CB 3.43Å; S91-E94 VanDerWaalsContact OG-CD 3.27Å; S91-E94 VanDerWaalsContact OG-CG 3.27Å; S91-E94 WeakPolarHBondContact OG-CG 3.35Å; S91-E94 PolarHBondContact OG-N 3.09Å; S91-E94 PolarHBondContact OG-OE1 3.25Å; S91-E94 VanDerWaalsContact OG-OE1 3.05Å; S91-L95 WeakPolarHBondContact O-CG 3.44Å; S91-L95 PolarHBondContact O-N 3Å
92I94.4Very high92.2Very high23 Ų2371.2 Ų71.212%0.11840%0.401CS..Hα-helixtrans-60.9-29.5174.6-169.7165.4000111.7G80 F82 E94 L95 Q96 F99 I108 A114G80-I92 WeakPolarHBondContact O-CG2 3.46Å; G80-I92 PolarHBondContact O-N 3.33Å; F82-I92 HydrophobicContact CD2-CB 3.96Å; F82-I92 HydrophobicContact CD2-CD1 4.21Å; F82-I92 HydrophobicContact CD2-CG1 4.36Å; F82-I92 HydrophobicContact CE2-CB 4.04Å; F82-I92 HydrophobicContact CE2-CD1 3.71Å; F82-I92 HydrophobicContact CE2-CG1 4.31Å; F82-I92 HydrophobicContact CZ-CD1 4.5Å; I92-E94 VanDerWaalsContact C-N 3.25Å; I92-E94 PolarHBondContact O-N 3.38Å; I92-L95 PolarHBondContact O-N 3.05Å; I92-Q96 HydrophobicContact CG1-CB 4.32Å; I92-Q96 WeakPolarHBondContact O-CA 3.48Å; I92-Q96 PolarHBondContact O-N 2.98Å; I92-F99 HydrophobicContact CD1-CD2 3.59Å; I92-F99 HydrophobicContact CD1-CE2 3.5Å; I92-F99 VanDerWaalsContact CD1-CE2 3.5Å; I92-F99 HydrophobicContact CD1-CZ 4.38Å; I92-F99 HydrophobicContact CG1-CD2 3.93Å; I92-F99 HydrophobicContact CG1-CE2 4.23Å; I92-F99 HydrophobicContact CG1-CG 4.42Å; I92-I108 HydrophobicContact CG2-CD1 4.09Å; I92-A114 HydrophobicContact CG2-CB 3.24Å
93C94.6Very high92.1Very high29 Ų2972.1 Ų72.120%0.19641%0.411CS..Hα-helixtrans-62.1-30.7175.8-59.80000113.2S91 C106 I108S91-C93 PolarHBondContact O-N 3.15Å; C93-C106 WeakPolarHBondContact CA-SG 3.45Å; C93-C106 HydrophobicContact CB-CB 3.62Å; C93-C106 WeakPolarHBondContact CB-SG 3.42Å; C93-C106 VanDerWaalsContact SG-C 3.55Å; C93-C106 WeakPolarHBondContact SG-CB 3.3Å; C93-C106 CovalentContact SG-SG 2.03Å; C93-C106 PolarHBondContact SG-SG 2.03Å; C93-I108 VanDerWaalsContact SG-CD1 3.56Å
94E92.3Very high92.1Very high115 Ų11570 Ų7054%0.53740%0.399SS..Hα-helixtrans-87.7-38.9175.8-74.7165.6-134.900112.1Q90 S91 I92Q90-E94 HydrophobicContact CG-CB 4.09Å; Q90-E94 WeakPolarHBondContact CG-OE2 3.35Å; Q90-E94 PolarHBondContact NE2-OE2 2.74Å; S91-E94 PolarHBondContact O-N 2.82Å; S91-E94 VanDerWaalsContact O-N 3.09Å; S91-E94 WeakPolarHBondContact OG-CB 3.43Å; S91-E94 VanDerWaalsContact OG-CD 3.27Å; S91-E94 VanDerWaalsContact OG-CG 3.27Å; S91-E94 WeakPolarHBondContact OG-CG 3.35Å; S91-E94 PolarHBondContact OG-N 3.09Å; S91-E94 PolarHBondContact OG-OE1 3.25Å; S91-E94 VanDerWaalsContact OG-OE1 3.05Å; I92-E94 VanDerWaalsContact C-N 3.25Å; I92-E94 PolarHBondContact O-N 3.38Å
95L92.9Very high92.4Very high70 Ų7072.3 Ų72.337%0.36640%0.403SS..Hα-helixtrans-68-39.9179.9-70.6171.9000111.9F82 V84 Q90 S91 I92F82-L95 HydrophobicContact CB-CD1 3.94Å; V84-L95 HydrophobicContact CG2-CD1 4.02Å; V84-L95 HydrophobicContact CG2-CD2 4.1Å; Q90-L95 HydrophobicContact CB-CD1 4.14Å; Q90-L95 HydrophobicContact CB-CD2 4.14Å; Q90-L95 HydrophobicContact CB-CG 4.02Å; Q90-L95 HydrophobicContact CG-CD2 4.36Å; Q90-L95 HydrophobicContact CG-CG 4.18Å; Q90-L95 VanDerWaalsContact OE1-CD2 3.29Å; S91-L95 WeakPolarHBondContact O-CG 3.44Å; S91-L95 PolarHBondContact O-N 3Å; I92-L95 PolarHBondContact O-N 3.05Å
96Q91.9Very high92.8Very high86 Ų8666.3 Ų66.340%0.40237%0.373SS..  trans-126.694.6-175.3-170.1171.616.400110.3I92 D98 F99I92-Q96 HydrophobicContact CG1-CB 4.32Å; I92-Q96 WeakPolarHBondContact O-CA 3.48Å; I92-Q96 PolarHBondContact O-N 2.98Å; Q96-D98 VanDerWaalsContact C-N 3.25Å; Q96-D98 WeakPolarHBondContact CG-OD1 3.49Å; Q96-D98 PolarHBondContact NE2-OD1 3.06Å; Q96-D98 VanDerWaalsContact NE2-OD1 3.15Å; Q96-D98 PolarHBondContact O-N 3.23Å; Q96-F99 HydrophobicContact CB-CB 4.24Å; Q96-F99 HydrophobicContact CG-CB 4.15Å; Q96-F99 WeakPolarHBondContact O-CB 3.44Å; Q96-F99 PolarHBondContact O-N 3.23Å
97T88.6Confident93.4Very high128 Ų12864.9 Ų64.979%0.78535%0.348SS*.THydrogen-bonded Turntrans-70.5-20.4-177.254.40000113.6
98D91.4Very high93.8Very high97 Ų9761.4 Ų61.452%0.51933%0.33SS..THydrogen-bonded Turntrans-94.410175.867.1-26.5000113.4Q96 C100Q96-D98 VanDerWaalsContact C-N 3.25Å; Q96-D98 WeakPolarHBondContact CG-OD1 3.49Å; Q96-D98 PolarHBondContact NE2-OD1 3.06Å; Q96-D98 VanDerWaalsContact NE2-OD1 3.15Å; Q96-D98 PolarHBondContact O-N 3.23Å; D98-C100 VanDerWaalsContact C-N 3.25Å; D98-C100 PolarHBondContact O-N 3.32Å
99F94.3Very high93.9Very high31 Ų3160.1 Ų60.114%0.13632%0.317CS..SBendtrans-59.3-35.9177179.6-95.9000112.4I92 Q96 A114 H130I92-F99 HydrophobicContact CD1-CD2 3.59Å; I92-F99 HydrophobicContact CD1-CE2 3.5Å; I92-F99 VanDerWaalsContact CD1-CE2 3.5Å; I92-F99 HydrophobicContact CD1-CZ 4.38Å; I92-F99 HydrophobicContact CG1-CD2 3.93Å; I92-F99 HydrophobicContact CG1-CE2 4.23Å; I92-F99 HydrophobicContact CG1-CG 4.42Å; Q96-F99 HydrophobicContact CB-CB 4.24Å; Q96-F99 HydrophobicContact CG-CB 4.15Å; Q96-F99 WeakPolarHBondContact O-CB 3.44Å; Q96-F99 PolarHBondContact O-N 3.23Å; F99-A114 HydrophobicContact CE1-CB 3.69Å; F99-A114 HydrophobicContact CZ-CB 3.79Å; F99-H130 AromaticContact CD2-CE1 3.88Å; F99-H130 AromaticContact CE1-CE1 3.87Å; F99-H130 AromaticContact CE1-ND1 3.85Å; F99-H130 AromaticContact CE2-CE1 3.35Å; F99-H130 WeakPolarHBondContact CE2-CE1 3.01Å; F99-H130 AromaticContact CE2-ND1 3.94Å; F99-H130 AromaticContact CZ-CE1 3.35Å; F99-H130 WeakPolarHBondContact CZ-CE1 3.42Å; F99-H130 AromaticContact CZ-ND1 3.81Å; F99-H130 WeakPolarHBondContact O-CB 3.41Å; F99-H130 PolarHBondContact O-ND1 3.34Å
100C95.7Very high93.6Very high12 Ų1265.7 Ų65.78%0.08135%0.353CS..SBendtrans-107.7119.5170-58.50000109.5D98 G104 C106 C116D98-C100 VanDerWaalsContact C-N 3.25Å; D98-C100 PolarHBondContact O-N 3.32Å; C100-G104 WeakPolarHBondContact CB-O 3.44Å; C100-C106 VanDerWaalsContact SG-CA 3.54Å; C100-C106 VanDerWaalsContact SG-CB 3.55Å; C100-C116 WeakPolarHBondContact CA-SG 3.22Å; C100-C116 HydrophobicContact CB-CB 3.81Å; C100-C116 WeakPolarHBondContact CB-SG 3.27Å; C100-C116 WeakPolarHBondContact SG-CA 3.33Å; C100-C116 WeakPolarHBondContact SG-CB 3.04Å; C100-C116 CovalentContact SG-SG 2.03Å; C100-C116 PolarHBondContact SG-SG 3.47Å
101L94.8Very high93.3Very high73 Ų7365.3 Ų65.338%0.38237%0.371SS..  trans-80.3166.8-178.8-57.1175000111.4D103 G104 H130 C131 E132L101-D103 PolarHBondContact O-N 3.21Å; L101-G104 PolarHBondContact O-N 3.05Å; L101-H130 VanDerWaalsContact CB-O 3.3Å; L101-H130 WeakPolarHBondContact CB-O 3.06Å; L101-H130 PolarHBondContact N-O 2.77Å; L101-C131 WeakPolarHBondContact O-CB 3.01Å; L101-E132 HydrophobicContact CD1-CB 4.01Å
102N94.4Very high93.2Very high64 Ų6472.4 Ų72.434%0.34240%0.403SS..THydrogen-bonded Turntrans53.745172-61.2-52.6000114.6G104 Y126 C131N102-G104 PolarHBondContact O-N 3.48Å; N102-Y126 HydrophobicContact CB-CD1 3.82Å; N102-Y126 HydrophobicContact CB-CD2 3.77Å; N102-Y126 HydrophobicContact CB-CE1 3.64Å; N102-Y126 HydrophobicContact CB-CE2 3.6Å; N102-Y126 HydrophobicContact CB-CG 3.88Å; N102-Y126 WeakPolarHBondContact ND2-CD1 3.45Å; N102-Y126 VanDerWaalsContact ND2-CE1 3.3Å; N102-Y126 WeakPolarHBondContact ND2-CE1 3.45Å; N102-C131 PolarHBondContact ND2-O 2.73Å
103D91.4Very high93.1Very high130 Ų13071.6 Ų71.670%0.69540%0.401SS*.THydrogen-bonded Turntrans57.727.2-175.7-51.6-44.9000113.6L101 R119L101-D103 PolarHBondContact O-N 3.21Å; D103-R119 IonicContact OD2-NH1 3.52Å; D103-R119 PolarHBondContact OD2-NH1 3.3Å
104G94.3Very high93.1Very high14 Ų1471.7 Ų71.714%0.14440%0.404CS..PPolyproline II helixtrans-63.3140.717100000111.1C100 L101 N102 R117C100-G104 WeakPolarHBondContact CB-O 3.44Å; L101-G104 PolarHBondContact O-N 3.05Å; N102-G104 PolarHBondContact O-N 3.48Å; G104-R117 CarbonylContact C-O 3.46Å; G104-R117 WeakPolarHBondContact CA-O 3.48Å
105K95.3Very high93.3Very high119 Ų11970 Ų7052%0.51740%0.397SS..EExtended strand (participates in β ladder)trans-87.8125.4176.7-176.4176.2176.2-173.50110D107 R117K105-D107 WeakPolarHBondContact CE-OD1 3.42Å; K105-D107 IonicContact NZ-OD1 3.76Å; K105-R117 HydrophobicContact CB-CB 4.33Å; K105-R117 PolarHBondContact N-O 2.03Å; K105-R117 PolarHBondContact O-N 3.27Å
106C96.1Very high93.4Very high31 Ų3167.4 Ų67.421%0.20939%0.385CS..EExtended strand (participates in β ladder)trans-85.3129.9174.5-1680000110.6C93 C100C93-C106 WeakPolarHBondContact CA-SG 3.45Å; C93-C106 HydrophobicContact CB-CB 3.62Å; C93-C106 WeakPolarHBondContact CB-SG 3.42Å; C93-C106 VanDerWaalsContact SG-C 3.55Å; C93-C106 WeakPolarHBondContact SG-CB 3.3Å; C93-C106 CovalentContact SG-SG 2.03Å; C93-C106 PolarHBondContact SG-SG 2.03Å; C100-C106 VanDerWaalsContact SG-CA 3.54Å; C100-C106 VanDerWaalsContact SG-CB 3.55Å
107D95.1Very high93.6Very high43 Ų4369.7 Ų69.723%0.2339%0.39CS..EExtended strand (participates in β ladder)trans-135.6152.5173.8-60.7-85.9000110.3K105 A114 I115 R117K105-D107 WeakPolarHBondContact CE-OD1 3.42Å; K105-D107 IonicContact NZ-OD1 3.76Å; D107-A114 WeakPolarHBondContact O-CA 3.47Å; D107-I115 HydrophobicContact CB-CG2 4.39Å; D107-I115 PolarHBondContact N-O 2.89Å; D107-I115 WeakPolarHBondContact O-CG2 3.3Å; D107-I115 PolarHBondContact O-N 2.81Å; D107-R117 IonicContact OD1-CZ 3.42Å; D107-R117 IonicContact OD1-NH2 3.92Å; D107-R117 PolarHBondContact OD1-NH2 2.84Å; D107-R117 IonicContact OD2-CZ 2.62Å; D107-R117 IonicContact OD2-NE 2.77Å; D107-R117 PolarHBondContact OD2-NE 2.87Å; D107-R117 IonicContact OD2-NH2 3.02Å; D107-R117 PolarHBondContact OD2-NH2 3.45Å
108I95.1Very high93.9Very high40 Ų4065.2 Ų65.221%0.20536%0.364CS..EExtended strand (participates in β ladder)trans-107.1123.8177.2-53.2-59.9000109.5Y81 I92 C93 A114Y81-I108 HydrophobicContact CD2-CG2 4.45Å; Y81-I108 HydrophobicContact CE2-CG2 3.67Å; I92-I108 HydrophobicContact CG2-CD1 4.09Å; C93-I108 VanDerWaalsContact SG-CD1 3.56Å; I108-A114 HydrophobicContact CD1-CB 3.48Å; I108-A114 VanDerWaalsContact CD1-CB 3.48Å
109I93.9Very high94.1Very high63 Ų6366.8 Ų66.832%0.32336%0.362SS..EExtended strand (participates in β ladder)trans-97.4121.8171.3-61.2174.8000108.3G111 Q112 G113 I115I109-G111 PolarHBondContact O-N 3.07Å; I109-Q112 HydrophobicContact CB-CB 4.07Å; I109-Q112 HydrophobicContact CG2-CB 3.98Å; I109-Q112 HydrophobicContact CG2-CG 4.12Å; I109-Q112 PolarHBondContact O-N 2.78Å; I109-G113 PolarHBondContact N-O 3.3Å; I109-G113 PolarHBondContact O-N 3.24Å; I109-I115 HydrophobicContact CD1-CD1 4.31Å; I109-I115 HydrophobicContact CD1-CG2 3.77Å; I109-I115 HydrophobicContact CG1-CG2 3.94Å
110P90.6Very high94Very high123 Ų12370.3 Ų70.380%0.79939%0.386SS*.THydrogen-bonded Turntrans-52.4126.3178.1-26.434.3000112Q112P110-Q112 PolarHBondContact O-N 2.94Å
111G88.2Confident93.8Very high73 Ų7371 Ų7175%0.75340%0.395SS*.THydrogen-bonded Turntrans79.7-16.9179.600000116I109I109-G111 PolarHBondContact O-N 3.07Å
112Q91.3Very high93.6Very high156 Ų15676 Ų7673%0.72942%0.417SS*.THydrogen-bonded Turntrans-102.7-30.2176.7-67.4-178.1200112.7I109 P110I109-Q112 HydrophobicContact CB-CB 4.07Å; I109-Q112 HydrophobicContact CG2-CB 3.98Å; I109-Q112 HydrophobicContact CG2-CG 4.12Å; I109-Q112 PolarHBondContact O-N 2.78Å; P110-Q112 PolarHBondContact O-N 2.94Å
113G93.2Very high93.3Very high6 Ų677 Ų776%0.06242%0.422CS..EExtended strand (participates in β ladder)trans103.2-156.1179.600000113.3I109I109-G113 PolarHBondContact N-O 3.3Å; I109-G113 PolarHBondContact O-N 3.24Å
114A95.3Very high93.4Very high31 Ų3174 Ų7426%0.25640%0.401SS..EExtended strand (participates in β ladder)trans-82139.2-177.200000111.7I92 F99 D107 I108I92-A114 HydrophobicContact CG2-CB 3.24Å; F99-A114 HydrophobicContact CE1-CB 3.69Å; F99-A114 HydrophobicContact CZ-CB 3.79Å; D107-A114 WeakPolarHBondContact O-CA 3.47Å; I108-A114 HydrophobicContact CD1-CB 3.48Å; I108-A114 VanDerWaalsContact CD1-CB 3.48Å
115I95.3Very high93.4Very high80 Ų8077.1 Ų77.141%0.4141%0.408SS..EExtended strand (participates in β ladder)trans-133.9145.5177.3-172.2167000109.8D107 I109D107-I115 HydrophobicContact CB-CG2 4.39Å; D107-I115 PolarHBondContact N-O 2.89Å; D107-I115 WeakPolarHBondContact O-CG2 3.3Å; D107-I115 PolarHBondContact O-N 2.81Å; I109-I115 HydrophobicContact CD1-CD1 4.31Å; I109-I115 HydrophobicContact CD1-CG2 3.77Å; I109-I115 HydrophobicContact CG1-CG2 3.94Å
116C96Very high93.3Very high15 Ų1573.9 Ų73.910%0.10139%0.393CS..EExtended strand (participates in β ladder)trans-99.2127.5174.2-64.30000111.5C100 E129C100-C116 WeakPolarHBondContact CA-SG 3.22Å; C100-C116 HydrophobicContact CB-CB 3.81Å; C100-C116 WeakPolarHBondContact CB-SG 3.27Å; C100-C116 WeakPolarHBondContact SG-CA 3.33Å; C100-C116 WeakPolarHBondContact SG-CB 3.04Å; C100-C116 CovalentContact SG-SG 2.03Å; C100-C116 PolarHBondContact SG-SG 3.47Å; C116-E129 WeakPolarHBondContact CB-O 3.42Å
117R94.8Very high93.1Very high134 Ų13480.3 Ų80.351%0.50641%0.413SS..EExtended strand (participates in β ladder)trans-94.6108.7166.6-69-168-70-170.3-18109.4G104 K105 D107G104-R117 CarbonylContact C-O 3.46Å; G104-R117 WeakPolarHBondContact CA-O 3.48Å; K105-R117 HydrophobicContact CB-CB 4.33Å; K105-R117 PolarHBondContact N-O 2.03Å; K105-R117 PolarHBondContact O-N 3.27Å; D107-R117 IonicContact OD1-CZ 3.42Å; D107-R117 IonicContact OD1-NH2 3.92Å; D107-R117 PolarHBondContact OD1-NH2 2.84Å; D107-R117 IonicContact OD2-CZ 2.62Å; D107-R117 IonicContact OD2-NE 2.77Å; D107-R117 PolarHBondContact OD2-NE 2.87Å; D107-R117 IonicContact OD2-NH2 3.02Å; D107-R117 PolarHBondContact OD2-NH2 3.45Å
118C95.8Very high93Very high35 Ų3579.9 Ų79.924%0.23642%0.419CS..  trans-76.7149.4-176-54.80000113Y126 C131C118-Y126 WeakPolarHBondContact CB-O 3.33Å; C118-C131 WeakPolarHBondContact CA-SG 3.43Å; C118-C131 HydrophobicContact CB-CB 3.79Å; C118-C131 WeakPolarHBondContact CB-SG 3.39Å; C118-C131 WeakPolarHBondContact SG-CA 3.01Å; C118-C131 WeakPolarHBondContact SG-CB 3.2Å; C118-C131 CovalentContact SG-SG 2.03Å; C118-C131 PolarHBondContact SG-SG 2.62Å
119R94.4Very high93Very high130 Ų13085.1 Ų85.149%0.49144%0.442SS..  trans-72.5138.5177-170.9174.3178.1-174.30.5111D103 W124 Y126D103-R119 IonicContact OD2-NH1 3.52Å; D103-R119 PolarHBondContact OD2-NH1 3.3Å; R119-W124 HydrophobicContact CG-CH2 3.94Å; R119-W124 HydrophobicContact CG-CZ3 4.35Å; R119-Y126 HydrophobicContact CB-CD2 4.38Å; R119-Y126 PolarHBondContact O-N 2.98Å; R119-Y126 VanDerWaalsContact O-N 3.12Å
120V92.9Very high93Very high104 Ų10484.2 Ų84.263%0.6344%0.437SS*.BIsolated β-bridgetrans-124.1136178.6-176.90000108.7W125V120-W125 HydrophobicContact CB-CB 4.4Å; V120-W125 HydrophobicContact CG1-CB 4.19Å; V120-W125 HydrophobicContact CG2-CB 3.99Å
121G91.1Very high93.2Very high27 Ų2778.3 Ų78.328%0.27840%0.399SS..  trans-116.3-171.5170.700000111.5N123 W124G121-N123 PolarHBondContact O-N 2.03Å; G121-W124 PolarHBondContact N-O 2.8Å
122E90.8Very high93.5Very high179 Ų17980.9 Ų80.984%0.83639%0.391SS*.SBendtrans-63.4-35.2-174.2-67.3179.1169.900114.4
123N89.4Confident93.6Very high83 Ų8378.7 Ų78.744%0.44438%0.381SS..SBendtrans-137.321.5-175.8-64.7-67.1000112.2G121 E137G121-N123 PolarHBondContact O-N 2.03Å; N123-E137 HydrophobicContact CB-CB 4.29Å; N123-E137 WeakPolarHBondContact O-CB 3.06Å; N123-E137 PolarHBondContact O-N 3.12Å
124W92Very high93.5Very high67 Ų6784.1 Ų84.125%0.25440%0.4SS..EExtended strand (participates in β ladder)trans-156.7154.8-176.963.6-91.8000111.1R119 G121 Y126 Y134 V135R119-W124 HydrophobicContact CG-CH2 3.94Å; R119-W124 HydrophobicContact CG-CZ3 4.35Å; G121-W124 PolarHBondContact N-O 2.8Å; W124-Y126 HydrophobicContact CE3-CD2 4.31Å; W124-Y126 HydrophobicContact CE3-CE2 4.16Å; W124-Y126 HydrophobicContact CH2-CE2 4.22Å; W124-Y126 AromaticContact CZ3-CD2 3.65Å; W124-Y126 HydrophobicContact CZ3-CD2 3.65Å; W124-Y126 AromaticContact CZ3-CE2 3.43Å; W124-Y126 HydrophobicContact CZ3-CE2 3.43Å; W124-Y126 VanDerWaalsContact CZ3-CE2 3.43Å; W124-Y134 HydrophobicContact CB-CE2 3.76Å; W124-Y134 WeakPolarHBondContact CB-OH 3.17Å; W124-Y134 AromaticContact CD2-CE2 3.92Å; W124-Y134 HydrophobicContact CD2-CE2 3.92Å; W124-Y134 HydrophobicContact CE3-CD2 4.28Å; W124-Y134 AromaticContact CE3-CE2 3.74Å; W124-Y134 HydrophobicContact CE3-CE2 3.74Å; W124-Y134 AromaticContact CG-CE2 3.96Å; W124-Y134 HydrophobicContact CG-CE2 3.96Å; W124-V135 CarbonylContact C-O 3.6Å; W124-V135 VanDerWaalsContact CA-O 3.23Å; W124-V135 WeakPolarHBondContact CA-O 3.41Å; W124-V135 WeakPolarHBondContact CB-O 3.44Å
125W93.8Very high93.2Very high81 Ų8183.8 Ų83.831%0.30740%0.395SS..EExtended strand (participates in β ladder)trans-153154.9174.159.593.6000110.2V120 V135 E137V120-W125 HydrophobicContact CB-CB 4.4Å; V120-W125 HydrophobicContact CG1-CB 4.19Å; V120-W125 HydrophobicContact CG2-CB 3.99Å; W125-V135 HydrophobicContact CD2-CB 4.3Å; W125-V135 HydrophobicContact CH2-CG1 3.98Å; W125-V135 HydrophobicContact CZ2-CB 3.98Å; W125-V135 HydrophobicContact CZ2-CG1 3.39Å; W125-V135 PolarHBondContact N-O 3.42Å; W125-V135 PolarHBondContact O-N 3.34Å; W125-E137 HydrophobicContact CZ3-CB 3.97Å
126Y95.1Very high93Very high51 Ų5180.9 Ų80.920%0.238%0.381CS..EExtended strand (participates in β ladder)trans-87.8145.4165.2-69-78.9000110.8N102 C118 R119 W124 E133 Y134N102-Y126 HydrophobicContact CB-CD1 3.82Å; N102-Y126 HydrophobicContact CB-CD2 3.77Å; N102-Y126 HydrophobicContact CB-CE1 3.64Å; N102-Y126 HydrophobicContact CB-CE2 3.6Å; N102-Y126 HydrophobicContact CB-CG 3.88Å; N102-Y126 WeakPolarHBondContact ND2-CD1 3.45Å; N102-Y126 VanDerWaalsContact ND2-CE1 3.3Å; N102-Y126 WeakPolarHBondContact ND2-CE1 3.45Å; C118-Y126 WeakPolarHBondContact CB-O 3.33Å; R119-Y126 HydrophobicContact CB-CD2 4.38Å; R119-Y126 PolarHBondContact O-N 2.98Å; R119-Y126 VanDerWaalsContact O-N 3.12Å; W124-Y126 HydrophobicContact CE3-CD2 4.31Å; W124-Y126 HydrophobicContact CE3-CE2 4.16Å; W124-Y126 HydrophobicContact CH2-CE2 4.22Å; W124-Y126 AromaticContact CZ3-CD2 3.65Å; W124-Y126 HydrophobicContact CZ3-CD2 3.65Å; W124-Y126 AromaticContact CZ3-CE2 3.43Å; W124-Y126 HydrophobicContact CZ3-CE2 3.43Å; W124-Y126 VanDerWaalsContact CZ3-CE2 3.43Å; Y126-E133 CarbonylContact C-O 3.54Å; Y126-E133 WeakPolarHBondContact CA-O 3.21Å; Y126-Y134 HydrophobicContact CD1-CD2 4.31Å; Y126-Y134 AromaticContact CE1-CD2 3.74Å; Y126-Y134 HydrophobicContact CE1-CD2 3.74Å; Y126-Y134 HydrophobicContact CE1-CG 4.24Å; Y126-Y134 HydrophobicContact CE2-CD2 4.44Å; Y126-Y134 AromaticContact CZ-CD2 3.81Å
127R91.5Very high92.5Very high165 Ų16584.5 Ų84.562%0.62340%0.397SS*.EExtended strand (participates in β ladder)trans-132.2161.5177.1-173.7175.7179.497.93.1109.6C131 E132 E133 V135R127-C131 CarbonylContact O-C 3.56Å; R127-E132 PolarHBondContact O-N 2.77Å; R127-E133 PolarHBondContact N-O 3.41Å; R127-E133 WeakPolarHBondContact O-CB 3.47Å; R127-E133 PolarHBondContact O-N 3.43Å; R127-V135 HydrophobicContact CB-CG2 4.43Å
128G93.4Very high92Very high34 Ų3482 Ų8235%0.35140%0.398SS..SBendtrans120.6171.617900000111.2H130G128-H130 VanDerWaalsContact C-N 3.28Å; G128-H130 PolarHBondContact O-N 2.86Å
129E93.1Very high91.4Very high150 Ų15085.3 Ų85.370%0.70141%0.413SS*.SBendtrans-62.2-39.5176.1-174.1176.7174.800111.2C116C116-E129 WeakPolarHBondContact CB-O 3.42Å
130H94.9Very high91.1Very high44 Ų4482.9 Ų82.920%0.20441%0.412CS..SBendtrans-11418.7180-58.5-69.9000113.7F99 L101 G128 E132F99-H130 AromaticContact CD2-CE1 3.88Å; F99-H130 AromaticContact CE1-CE1 3.87Å; F99-H130 AromaticContact CE1-ND1 3.85Å; F99-H130 AromaticContact CE2-CE1 3.35Å; F99-H130 WeakPolarHBondContact CE2-CE1 3.01Å; F99-H130 AromaticContact CE2-ND1 3.94Å; F99-H130 AromaticContact CZ-CE1 3.35Å; F99-H130 WeakPolarHBondContact CZ-CE1 3.42Å; F99-H130 AromaticContact CZ-ND1 3.81Å; F99-H130 WeakPolarHBondContact O-CB 3.41Å; F99-H130 PolarHBondContact O-ND1 3.34Å; L101-H130 VanDerWaalsContact CB-O 3.3Å; L101-H130 WeakPolarHBondContact CB-O 3.06Å; L101-H130 PolarHBondContact N-O 2.77Å; G128-H130 VanDerWaalsContact C-N 3.28Å; G128-H130 PolarHBondContact O-N 2.86Å; H130-E132 PolarHBondContact O-N 3.47Å
131C95.6Very high90.9Very high0 Ų081.4 Ų81.40%040%0.403CS..SBendtrans62.536.2-178.1-48.70000114.7L101 N102 C118 R127L101-C131 WeakPolarHBondContact O-CB 3.01Å; N102-C131 PolarHBondContact ND2-O 2.73Å; C118-C131 WeakPolarHBondContact CA-SG 3.43Å; C118-C131 HydrophobicContact CB-CB 3.79Å; C118-C131 WeakPolarHBondContact CB-SG 3.39Å; C118-C131 WeakPolarHBondContact SG-CA 3.01Å; C118-C131 WeakPolarHBondContact SG-CB 3.2Å; C118-C131 CovalentContact SG-SG 2.03Å; C118-C131 PolarHBondContact SG-SG 2.62Å; R127-C131 CarbonylContact O-C 3.56Å
132E94.4Very high90.9Very high127 Ų12781.8 Ų81.859%0.59341%0.407SS*.  trans-77.1-27.6-17762.8-163.5-158.200114.5L101 R127 H130L101-E132 HydrophobicContact CD1-CB 4.01Å; R127-E132 PolarHBondContact O-N 2.77Å; H130-E132 PolarHBondContact O-N 3.47Å
133E92.6Very high91Very high109 Ų10978.3 Ų78.351%0.50939%0.393SS..EExtended strand (participates in β ladder)trans-99.8124.2-171.7-170.9179.6-166.300111.3Y126 R127 V135Y126-E133 CarbonylContact C-O 3.54Å; Y126-E133 WeakPolarHBondContact CA-O 3.21Å; R127-E133 PolarHBondContact N-O 3.41Å; R127-E133 WeakPolarHBondContact O-CB 3.47Å; R127-E133 PolarHBondContact O-N 3.43Å; E133-V135 HydrophobicContact CG-CG2 4.23Å
134Y91.6Very high91.2Very high121 Ų12176.8 Ų76.848%0.47539%0.392SS..EExtended strand (participates in β ladder)trans-88.9126.3172.2178.5-95000110.7W124 Y126W124-Y134 HydrophobicContact CB-CE2 3.76Å; W124-Y134 WeakPolarHBondContact CB-OH 3.17Å; W124-Y134 AromaticContact CD2-CE2 3.92Å; W124-Y134 HydrophobicContact CD2-CE2 3.92Å; W124-Y134 HydrophobicContact CE3-CD2 4.28Å; W124-Y134 AromaticContact CE3-CE2 3.74Å; W124-Y134 HydrophobicContact CE3-CE2 3.74Å; W124-Y134 AromaticContact CG-CE2 3.96Å; W124-Y134 HydrophobicContact CG-CE2 3.96Å; Y126-Y134 HydrophobicContact CD1-CD2 4.31Å; Y126-Y134 AromaticContact CE1-CD2 3.74Å; Y126-Y134 HydrophobicContact CE1-CD2 3.74Å; Y126-Y134 HydrophobicContact CE1-CG 4.24Å; Y126-Y134 HydrophobicContact CE2-CD2 4.44Å; Y126-Y134 AromaticContact CZ-CD2 3.81Å
135V89.6Confident91.3Very high23 Ų2378.9 Ų78.914%0.13941%0.407CS..EExtended strand (participates in β ladder)trans-122132.1175.3-173.90000109.1W124 W125 R127 E133 V140W124-V135 CarbonylContact C-O 3.6Å; W124-V135 VanDerWaalsContact CA-O 3.23Å; W124-V135 WeakPolarHBondContact CA-O 3.41Å; W124-V135 WeakPolarHBondContact CB-O 3.44Å; W125-V135 HydrophobicContact CD2-CB 4.3Å; W125-V135 HydrophobicContact CH2-CG1 3.98Å; W125-V135 HydrophobicContact CZ2-CB 3.98Å; W125-V135 HydrophobicContact CZ2-CG1 3.39Å; W125-V135 PolarHBondContact N-O 3.42Å; W125-V135 PolarHBondContact O-N 3.34Å; R127-V135 HydrophobicContact CB-CG2 4.43Å; E133-V135 HydrophobicContact CG-CG2 4.23Å; V135-V140 HydrophobicContact CG1-CG2 3.88Å
136S89.5Confident91.4Very high19 Ų1978.1 Ų78.113%0.13342%0.419CS..EExtended strand (participates in β ladder)trans-113132.9172.553.30000110.7L139 V140S136-L139 PolarHBondContact O-N 2.91Å; S136-L139 WeakPolarHBondContact OG-CB 3.47Å; S136-V140 PolarHBondContact O-N 2.79Å
137E86.1Confident91.5Very high91 Ų9179.1 Ų79.143%0.42543%0.433SS..Hα-helixtrans-54.9-51.2177-166.1175.1145.600112.9N123 W125 L139 V140 V141N123-E137 HydrophobicContact CB-CB 4.29Å; N123-E137 WeakPolarHBondContact O-CB 3.06Å; N123-E137 PolarHBondContact O-N 3.12Å; W125-E137 HydrophobicContact CZ3-CB 3.97Å; E137-L139 VanDerWaalsContact C-N 3.26Å; E137-L139 PolarHBondContact O-N 3.48Å; E137-V140 PolarHBondContact O-N 2.99Å; E137-V141 WeakPolarHBondContact O-CG2 3.29Å; E137-V141 PolarHBondContact O-N 3.47Å
138P83.4Confident91.8Very high82 Ų8275.4 Ų75.453%0.53243%0.428SS..Hα-helixtrans-65.6-27.5-179.125.6-36.5000113.2G142P138-G142 WeakPolarHBondContact O-CA 3.47Å; P138-G142 PolarHBondContact O-N 3.01Å
139L84.5Confident92Very high105 Ų10575.6 Ų75.655%0.5543%0.426SS..Hα-helixtrans-69.1-45.6177-178.372.2000110.8S136 E137 G142 I143S136-L139 PolarHBondContact O-N 2.91Å; S136-L139 WeakPolarHBondContact OG-CB 3.47Å; E137-L139 VanDerWaalsContact C-N 3.26Å; E137-L139 PolarHBondContact O-N 3.48Å; L139-G142 PolarHBondContact O-N 3.35Å; L139-I143 HydrophobicContact CD1-CD1 4.47Å; L139-I143 HydrophobicContact CG-CD1 4.14Å; L139-I143 VanDerWaalsContact O-CG1 3.29Å; L139-I143 WeakPolarHBondContact O-CG1 3.34Å; L139-I143 PolarHBondContact O-N 3.13Å
140V88Confident92.2Very high78 Ų7870 Ų7047%0.47341%0.409SS..Hα-helixtrans-63.8-45.7177.9178.20000110.5V135 S136 E137 G142 I143 A144V135-V140 HydrophobicContact CG1-CG2 3.88Å; S136-V140 PolarHBondContact O-N 2.79Å; E137-V140 PolarHBondContact O-N 2.99Å; V140-G142 VanDerWaalsContact C-N 3.32Å; V140-G142 PolarHBondContact O-N 3.35Å; V140-I143 PolarHBondContact O-N 2.97Å; V140-A144 PolarHBondContact O-N 3.32Å
141V89.1Confident92.3Very high73 Ų7375 Ų7544%0.44243%0.431SS..Hα-helixtrans-62.5-41.2176175.10000110.9E137 A144 I145E137-V141 WeakPolarHBondContact O-CG2 3.29Å; E137-V141 PolarHBondContact O-N 3.47Å; V141-A144 PolarHBondContact O-N 3.2Å; V141-I145 HydrophobicContact CG1-CD1 3.75Å; V141-I145 HydrophobicContact CG1-CG1 4.39Å; V141-I145 WeakPolarHBondContact O-CG1 3.47Å; V141-I145 PolarHBondContact O-N 2.63Å
142G90.8Very high92.3Very high35 Ų3580.3 Ų80.336%0.36146%0.458SS..Hα-helixtrans-61-44.7176.900000112.9P138 L139 V140 I145 A146P138-G142 WeakPolarHBondContact O-CA 3.47Å; P138-G142 PolarHBondContact O-N 3.01Å; L139-G142 PolarHBondContact O-N 3.35Å; V140-G142 VanDerWaalsContact C-N 3.32Å; V140-G142 PolarHBondContact O-N 3.35Å; G142-I145 PolarHBondContact O-N 3.3Å; G142-A146 VanDerWaalsContact O-CB 3.26Å; G142-A146 WeakPolarHBondContact O-CB 3.23Å; G142-A146 PolarHBondContact O-N 3.23Å
143I92.1Very high92.5Very high106 Ų10682 Ų8254%0.54446%0.464SS..Hα-helixtrans-64-41.8176.4-67.4164.7000110.7L139 V140 A146 S147L139-I143 HydrophobicContact CD1-CD1 4.47Å; L139-I143 HydrophobicContact CG-CD1 4.14Å; L139-I143 VanDerWaalsContact O-CG1 3.29Å; L139-I143 WeakPolarHBondContact O-CG1 3.34Å; L139-I143 PolarHBondContact O-N 3.13Å; V140-I143 PolarHBondContact O-N 2.97Å; I143-A146 PolarHBondContact O-N 3.12Å; I143-S147 WeakPolarHBondContact O-CB 3.03Å; I143-S147 PolarHBondContact O-N 2.84Å; I143-S147 PolarHBondContact O-OG 2.96Å; I143-S147 VanDerWaalsContact O-OG 3.1Å
144A94.1Very high92.7Very high51 Ų5181.7 Ų81.742%0.42147%0.469SS..Hα-helixtrans-61.1-48.5176.400000111.6V140 V141 A146 S147 V148V140-A144 PolarHBondContact O-N 3.32Å; V141-A144 PolarHBondContact O-N 3.2Å; A144-A146 PolarHBondContact O-N 2.84Å; A144-S147 PolarHBondContact O-N 2.89Å; A144-S147 PolarHBondContact O-OG 3.43Å; A144-V148 WeakPolarHBondContact O-CG2 3.43Å; A144-V148 PolarHBondContact O-N 3.1Å; A144-V148 VanDerWaalsContact O-N 3.09Å
145I95.1Very high93Very high111 Ų11177.6 Ų77.657%0.56946%0.461SS*.Hα-helixtrans-63.3-45.2178.1-65.5167.8000111V141 G142 S147 V148 A149V141-I145 HydrophobicContact CG1-CD1 3.75Å; V141-I145 HydrophobicContact CG1-CG1 4.39Å; V141-I145 WeakPolarHBondContact O-CG1 3.47Å; V141-I145 PolarHBondContact O-N 2.63Å; G142-I145 PolarHBondContact O-N 3.3Å; I145-S147 VanDerWaalsContact C-N 3.34Å; I145-S147 PolarHBondContact O-N 3.44Å; I145-V148 PolarHBondContact O-N 2.94Å; I145-A149 WeakPolarHBondContact O-CB 3.39Å; I145-A149 PolarHBondContact O-N 3.27Å
146A95.9Very high93.3Very high66 Ų6680 Ų8055%0.54548%0.478SS..Hα-helixtrans-62.6-39.7179.600000112.2G142 I143 A144 G150G142-A146 VanDerWaalsContact O-CB 3.26Å; G142-A146 WeakPolarHBondContact O-CB 3.23Å; G142-A146 PolarHBondContact O-N 3.23Å; I143-A146 PolarHBondContact O-N 3.12Å; A144-A146 PolarHBondContact O-N 2.84Å; A146-G150 PolarHBondContact O-N 2.93Å
147S96.7Very high93.6Very high71 Ų7181 Ų8150%0.49749%0.491SS..Hα-helixtrans-66.2-42.7177.163.50000112.4I143 A144 I145 G150 F151I143-S147 WeakPolarHBondContact O-CB 3.03Å; I143-S147 PolarHBondContact O-N 2.84Å; I143-S147 PolarHBondContact O-OG 2.96Å; I143-S147 VanDerWaalsContact O-OG 3.1Å; A144-S147 PolarHBondContact O-N 2.89Å; A144-S147 PolarHBondContact O-OG 3.43Å; I145-S147 VanDerWaalsContact C-N 3.34Å; I145-S147 PolarHBondContact O-N 3.44Å; S147-G150 PolarHBondContact O-N 3.38Å; S147-F151 WeakPolarHBondContact O-CB 3.43Å; S147-F151 PolarHBondContact O-N 3.25Å
148V97.4Very high94.1Very high88 Ų8880.3 Ų80.353%0.53349%0.494SS..Hα-helixtrans-64.1-48.2175.3173.60000111A144 I145 G150 F151 L152A144-V148 WeakPolarHBondContact O-CG2 3.43Å; A144-V148 PolarHBondContact O-N 3.1Å; A144-V148 VanDerWaalsContact O-N 3.09Å; I145-V148 PolarHBondContact O-N 2.94Å; V148-G150 PolarHBondContact O-N 3.03Å; V148-F151 PolarHBondContact O-N 3.19Å; V148-L152 HydrophobicContact CG1-CD1 4.32Å; V148-L152 WeakPolarHBondContact O-CG 3.35Å; V148-L152 PolarHBondContact O-N 3.06Å
149A96.9Very high94.7Very high37 Ų3782 Ų8231%0.30650%0.498SS..Hα-helixtrans-60.7-46.317800000111.3I145 F151 L152 F153I145-A149 WeakPolarHBondContact O-CB 3.39Å; I145-A149 PolarHBondContact O-N 3.27Å; A149-F151 VanDerWaalsContact C-N 3.35Å; A149-F151 PolarHBondContact O-N 2.99Å; A149-L152 PolarHBondContact O-N 3.33Å; A149-F153 WeakPolarHBondContact O-CD2 3.26Å; A149-F153 PolarHBondContact O-N 3.42Å
150G97.3Very high95.2Very high33 Ų3383.6 Ų83.634%0.3450%0.5SS..Hα-helixtrans-57.9-44.7177.100000112.5A146 S147 V148 L152 F153 V154A146-G150 PolarHBondContact O-N 2.93Å; S147-G150 PolarHBondContact O-N 3.38Å; V148-G150 PolarHBondContact O-N 3.03Å; G150-L152 PolarHBondContact O-N 3.3Å; G150-F153 PolarHBondContact O-N 3.35Å; G150-V154 WeakPolarHBondContact O-CG2 3.47Å; G150-V154 PolarHBondContact O-N 3.46Å
151F97.3Very high95.5Very high150 Ų15086.4 Ų86.466%0.65851%0.506SS*.Hα-helixtrans-61.1-44.4176.2-178.2-97.4000112.3S147 V148 A149 F153 V154 A155S147-F151 WeakPolarHBondContact O-CB 3.43Å; S147-F151 PolarHBondContact O-N 3.25Å; V148-F151 PolarHBondContact O-N 3.19Å; A149-F151 VanDerWaalsContact C-N 3.35Å; A149-F151 PolarHBondContact O-N 2.99Å; F151-F153 PolarHBondContact O-N 3.33Å; F151-V154 PolarHBondContact O-N 2.77Å; F151-A155 WeakPolarHBondContact O-CB 3.37Å; F151-A155 PolarHBondContact O-N 3.4Å
152L97.1Very high95.6Very high110 Ų11087.2 Ų87.258%0.57651%0.508SS*.Hα-helixtrans-63.6-39.4177.6-69.1176.2000112.4V148 A149 G150 A155 S156V148-L152 HydrophobicContact CG1-CD1 4.32Å; V148-L152 WeakPolarHBondContact O-CG 3.35Å; V148-L152 PolarHBondContact O-N 3.06Å; A149-L152 PolarHBondContact O-N 3.33Å; G150-L152 PolarHBondContact O-N 3.3Å; L152-A155 PolarHBondContact O-N 3.48Å; L152-S156 VanDerWaalsContact O-CB 3.29Å; L152-S156 WeakPolarHBondContact O-CB 3.41Å; L152-S156 PolarHBondContact O-N 2.97Å
153F97.2Very high95.7Very high163 Ų16387.7 Ų87.772%0.71551%0.508SS*.Hα-helixtrans-63.2-44.3175.4-83-66.8000112.1A149 G150 F151 S156 G157A149-F153 WeakPolarHBondContact O-CD2 3.26Å; A149-F153 PolarHBondContact O-N 3.42Å; G150-F153 PolarHBondContact O-N 3.35Å; F151-F153 PolarHBondContact O-N 3.33Å; F153-S156 PolarHBondContact O-N 3.49Å; F153-G157 PolarHBondContact O-N 3.33Å
154V97.4Very high95.6Very high103 Ų10389.5 Ų89.562%0.62451%0.508SS*.Hα-helixtrans-63.9-46.9177.1174.30000110.7G150 F151 S156 G157 V158G150-V154 WeakPolarHBondContact O-CG2 3.47Å; G150-V154 PolarHBondContact O-N 3.46Å; F151-V154 PolarHBondContact O-N 2.77Å; V154-S156 VanDerWaalsContact C-N 3.33Å; V154-S156 PolarHBondContact O-N 2.74Å; V154-G157 PolarHBondContact O-N 3.37Å; V154-V158 WeakPolarHBondContact O-CG2 3.42Å; V154-V158 PolarHBondContact O-N 3.26Å
155A97Very high95.2Very high35 Ų3589.5 Ų89.529%0.28950%0.503SS..Hα-helixtrans-59.5-43177.700000111.9F151 L152 V158 L159F151-A155 WeakPolarHBondContact O-CB 3.37Å; F151-A155 PolarHBondContact O-N 3.4Å; L152-A155 PolarHBondContact O-N 3.48Å; A155-V158 PolarHBondContact O-N 3.34Å; A155-L159 WeakPolarHBondContact O-CB 3.26Å; A155-L159 WeakPolarHBondContact O-CG 3.37Å; A155-L159 PolarHBondContact O-N 3.46Å
156S96Very high94.8Very high72 Ų7289.2 Ų89.250%0.50350%0.502SS..Hα-helixtrans-61.2-44175.1-178.20000112.2L152 F153 V154 V158 L159 F160L152-S156 VanDerWaalsContact O-CB 3.29Å; L152-S156 WeakPolarHBondContact O-CB 3.41Å; L152-S156 PolarHBondContact O-N 2.97Å; F153-S156 PolarHBondContact O-N 3.49Å; V154-S156 VanDerWaalsContact C-N 3.33Å; V154-S156 PolarHBondContact O-N 2.74Å; S156-V158 VanDerWaalsContact C-N 3.35Å; S156-V158 PolarHBondContact O-N 3.28Å; S156-L159 PolarHBondContact O-N 3.08Å; S156-F160 VanDerWaalsContact O-CB 3.32Å; S156-F160 WeakPolarHBondContact O-CB 3.32Å; S156-F160 PolarHBondContact O-N 3.48Å
157G96.6Very high94.1Very high40 Ų4094.5 Ų94.541%0.41251%0.508SS..Hα-helixtrans-60.1-42.5175.600000112.8F153 V154 F160 F161F153-G157 PolarHBondContact O-N 3.33Å; V154-G157 PolarHBondContact O-N 3.37Å; G157-F160 PolarHBondContact O-N 3.41Å; G157-F161 WeakPolarHBondContact O-CB 3.12Å; G157-F161 PolarHBondContact O-N 3.04Å
158V96.4Very high93.2Very high78 Ų7895.1 Ų95.147%0.47351%0.506SS..Hα-helixtrans-64.1-48.4175.3174.40000110.9V154 A155 S156 F160 F161 L162V154-V158 WeakPolarHBondContact O-CG2 3.42Å; V154-V158 PolarHBondContact O-N 3.26Å; A155-V158 PolarHBondContact O-N 3.34Å; S156-V158 VanDerWaalsContact C-N 3.35Å; S156-V158 PolarHBondContact O-N 3.28Å; V158-F160 VanDerWaalsContact C-N 3.33Å; V158-F160 PolarHBondContact O-N 2.82Å; V158-F161 PolarHBondContact O-N 3.25Å; V158-L162 HydrophobicContact CG1-CD1 3.99Å; V158-L162 HydrophobicContact CG1-CG 4.34Å; V158-L162 VanDerWaalsContact O-CG 3.3Å; V158-L162 WeakPolarHBondContact O-CG 3.37Å; V158-L162 PolarHBondContact O-N 2.83Å
159L95.4Very high92.1Very high118 Ų11897 Ų9762%0.61851%0.509SS*.Hα-helixtrans-60.7-41.8178.1-72.4172.1000112.1A155 S156 L162 A163A155-L159 WeakPolarHBondContact O-CB 3.26Å; A155-L159 WeakPolarHBondContact O-CG 3.37Å; A155-L159 PolarHBondContact O-N 3.46Å; S156-L159 PolarHBondContact O-N 3.08Å; L159-L162 PolarHBondContact O-N 2.89Å; L159-A163 VanDerWaalsContact O-CB 3.3Å; L159-A163 WeakPolarHBondContact O-CB 3.32Å; L159-A163 PolarHBondContact O-N 3.49Å
160F95.6Very high90.7Very high138 Ų138103.1 Ų103.161%0.60553%0.525SS*.Hα-helixtrans-62.8-44.5176.1177.5-98.8000111.6S156 G157 V158 A163 R164S156-F160 VanDerWaalsContact O-CB 3.32Å; S156-F160 WeakPolarHBondContact O-CB 3.32Å; S156-F160 PolarHBondContact O-N 3.48Å; G157-F160 PolarHBondContact O-N 3.41Å; V158-F160 VanDerWaalsContact C-N 3.33Å; V158-F160 PolarHBondContact O-N 2.82Å; F160-A163 PolarHBondContact O-N 3.35Å; F160-R164 WeakPolarHBondContact O-CB 3.4Å; F160-R164 PolarHBondContact O-N 3.03Å
161F94Very high89.1Confident136 Ų136106.6 Ų106.660%0.59654%0.536SS*.Hα-helixtrans-62-47.5176.7-172.2-95.2000111.2G157 V158 A163 R164 T165G157-F161 WeakPolarHBondContact O-CB 3.12Å; G157-F161 PolarHBondContact O-N 3.04Å; V158-F161 PolarHBondContact O-N 3.25Å; F161-A163 PolarHBondContact O-N 2.9Å; F161-R164 PolarHBondContact O-N 2.96Å; F161-T165 HydrophobicContact CD1-CG2 3.97Å; F161-T165 HydrophobicContact CE1-CG2 3.62Å; F161-T165 HydrophobicContact CZ-CG2 3.99Å; F161-T165 WeakPolarHBondContact O-CG2 3.4Å; F161-T165 PolarHBondContact O-N 3.33Å; F161-T165 PolarHBondContact O-OG1 3.37Å
162L92.3Very high87.3Confident90 Ų90106.2 Ų106.247%0.47153%0.534SS..Hα-helixtrans-58.8-47.7176-69175.2000111.6V158 L159 R164 T165 L166V158-L162 HydrophobicContact CG1-CD1 3.99Å; V158-L162 HydrophobicContact CG1-CG 4.34Å; V158-L162 VanDerWaalsContact O-CG 3.3Å; V158-L162 WeakPolarHBondContact O-CG 3.37Å; V158-L162 PolarHBondContact O-N 2.83Å; L159-L162 PolarHBondContact O-N 2.89Å; L162-R164 VanDerWaalsContact C-N 3.3Å; L162-R164 PolarHBondContact O-N 3.49Å; L162-T165 WeakPolarHBondContact CA-OG1 3.4Å; L162-T165 PolarHBondContact O-N 3.47Å; L162-T165 PolarHBondContact O-OG1 2.98Å; L162-L166 WeakPolarHBondContact O-CG 3.46Å; L162-L166 PolarHBondContact O-N 3.48Å
163A92.4Very high85.3Confident46 Ų46108.1 Ų108.138%0.3854%0.54SS..Hα-helixtrans-60.1-39.4177.400000112.2L159 F160 F161 L166 R167L159-A163 VanDerWaalsContact O-CB 3.3Å; L159-A163 WeakPolarHBondContact O-CB 3.32Å; L159-A163 PolarHBondContact O-N 3.49Å; F160-A163 PolarHBondContact O-N 3.35Å; F161-A163 PolarHBondContact O-N 2.9Å; A163-L166 PolarHBondContact O-N 3.41Å; A163-R167 WeakPolarHBondContact O-CG 3.29Å; A163-R167 PolarHBondContact O-N 2.94Å
164R89.9Confident83.2Confident143 Ų143108.7 Ų108.754%0.5455%0.545SS..Hα-helixtrans-67.7-43.9175.7-158.5-148.3-179.5103.95.4111.8F160 F161 L162 L166 R167 D168F160-R164 WeakPolarHBondContact O-CB 3.4Å; F160-R164 PolarHBondContact O-N 3.03Å; F161-R164 PolarHBondContact O-N 2.96Å; L162-R164 VanDerWaalsContact C-N 3.3Å; L162-R164 PolarHBondContact O-N 3.49Å; R164-L166 VanDerWaalsContact C-N 3.28Å; R164-L166 PolarHBondContact O-N 2.98Å; R164-R167 PolarHBondContact O-N 3.42Å; R164-D168 IonicContact NE-OD2 2.64Å; R164-D168 PolarHBondContact O-N 2.91Å
165T85.8Confident81Confident51 Ų51107.9 Ų107.931%0.31354%0.544SS..Hα-helixtrans-62.6-35.8176.757.70000112.4F161 L162 Q169F161-T165 HydrophobicContact CD1-CG2 3.97Å; F161-T165 HydrophobicContact CE1-CG2 3.62Å; F161-T165 HydrophobicContact CZ-CG2 3.99Å; F161-T165 WeakPolarHBondContact O-CG2 3.4Å; F161-T165 PolarHBondContact O-N 3.33Å; F161-T165 PolarHBondContact O-OG1 3.37Å; L162-T165 WeakPolarHBondContact CA-OG1 3.4Å; L162-T165 PolarHBondContact O-N 3.47Å; L162-T165 PolarHBondContact O-OG1 2.98Å; T165-Q169 VanDerWaalsContact O-CG 3.26Å; T165-Q169 WeakPolarHBondContact O-CG 3.3Å; T165-Q169 PolarHBondContact O-N 3.07Å
166L85.8Confident78.7Confident105 Ų105114.3 Ų114.355%0.5557%0.568SS.*Hα-helixtrans-66.7-45.8173.6-70.6173.1000111.1L162 A163 R164 D168 Q169 Y170L162-L166 WeakPolarHBondContact O-CG 3.46Å; L162-L166 PolarHBondContact O-N 3.48Å; A163-L166 PolarHBondContact O-N 3.41Å; R164-L166 VanDerWaalsContact C-N 3.28Å; R164-L166 PolarHBondContact O-N 2.98Å; L166-D168 PolarHBondContact O-N 3.22Å; L166-Q169 WeakPolarHBondContact O-CB 3.39Å; L166-Q169 PolarHBondContact O-N 2.92Å; L166-Q169 VanDerWaalsContact O-N 3.15Å; L166-Y170 VanDerWaalsContact O-CD2 3.3Å; L166-Y170 WeakPolarHBondContact O-CD2 3.38Å; L166-Y170 PolarHBondContact O-N 3.09Å
167R82.1Confident76.3Confident178 Ų178117.5 Ų117.567%0.67258%0.579SS**Hα-helixtrans-60.8-44.1176-75.8-179.6-178.41661112.7A163 R164 Q169 Y170 D171A163-R167 WeakPolarHBondContact O-CG 3.29Å; A163-R167 PolarHBondContact O-N 2.94Å; R164-R167 PolarHBondContact O-N 3.42Å; R167-Q169 PolarHBondContact O-N 3.48Å; R167-Y170 PolarHBondContact O-N 2.87Å; R167-Y170 VanDerWaalsContact O-N 3.12Å; R167-D171 PolarHBondContact O-N 3.21Å
168D77.5Confident74Confident84 Ų84121.2 Ų121.245%0.44960%0.596SS.*Hα-helixtrans-63.3-26.1177.1-74.1-4.3000112.2R164 L166R164-D168 IonicContact NE-OD2 2.64Å; R164-D168 PolarHBondContact O-N 2.91Å; L166-D168 PolarHBondContact O-N 3.22Å
169Q74.6Confident71.5Confident126 Ų126123.1 Ų123.159%0.58961%0.608SS**Hα-helixtrans-76.3-44.1171.1-69.9-73.2-13.600111.8T165 L166 R167 K172 E173T165-Q169 VanDerWaalsContact O-CG 3.26Å; T165-Q169 WeakPolarHBondContact O-CG 3.3Å; T165-Q169 PolarHBondContact O-N 3.07Å; L166-Q169 WeakPolarHBondContact O-CB 3.39Å; L166-Q169 PolarHBondContact O-N 2.92Å; L166-Q169 VanDerWaalsContact O-N 3.15Å; R167-Q169 PolarHBondContact O-N 3.48Å; Q169-K172 WeakPolarHBondContact O-CB 3.3Å; Q169-K172 PolarHBondContact O-N 3.38Å; Q169-E173 PolarHBondContact O-N 3.35Å
170Y67.6Low68.9Low166 Ų166128.6 Ų128.665%0.65162%0.62SS**Hα-helixtrans-62.3-45.2176.5-89-78.4000112.7L166 R167 K172 E173 E174L166-Y170 VanDerWaalsContact O-CD2 3.3Å; L166-Y170 WeakPolarHBondContact O-CD2 3.38Å; L166-Y170 PolarHBondContact O-N 3.09Å; R167-Y170 PolarHBondContact O-N 2.87Å; R167-Y170 VanDerWaalsContact O-N 3.12Å; Y170-K172 PolarHBondContact O-N 2.86Å; Y170-E173 PolarHBondContact O-N 2.91Å; Y170-E174 PolarHBondContact O-N 3.49Å
171D63Low66.4Low107 Ų107128.4 Ų128.457%0.57263%0.63SS**Hα-helixtrans-64.5-26.1178.3-76.1-11.5000111.9R167 S175R167-D171 PolarHBondContact O-N 3.21Å; D171-S175 PolarHBondContact O-N 3.46Å
172K59Low63.6Low141 Ų141131.2 Ų131.261%0.61364%0.642SS**Hα-helixtrans-73.1-38.5174.7-109.2174.4177.7167.70112.8Q169 Y170 E174 S175Q169-K172 WeakPolarHBondContact O-CB 3.3Å; Q169-K172 PolarHBondContact O-N 3.38Å; Y170-K172 PolarHBondContact O-N 2.86Å; K172-E174 VanDerWaalsContact C-N 3.28Å; K172-E174 PolarHBondContact O-N 3.21Å; K172-S175 PolarHBondContact O-N 3.2Å; K172-S175 PolarHBondContact O-OG 2.86Å
173E55.3Low61Low151 Ų151138.6 Ų138.671%0.70666%0.664SS**Hα-helixtrans-66-29176.9-71.7-170.2160.800112.6Q169 Y170Q169-E173 PolarHBondContact O-N 3.35Å; Y170-E173 PolarHBondContact O-N 2.91Å
174E53.8Low58.3Low174 Ų174147.7 Ų147.781%0.81369%0.688SS**Hα-helixtrans-82.7-16.4176-154.1176.8-176.800113.1Y170 K172Y170-E174 PolarHBondContact O-N 3.49Å; K172-E174 VanDerWaalsContact C-N 3.28Å; K172-E174 PolarHBondContact O-N 3.21Å
175S51.8Low55.9Low86 Ų86146.6 Ų146.660%0.60170%0.697SS**SBendtrans-88.9-5.7-178.274.90000115.3D171 K172 D177D171-S175 PolarHBondContact O-N 3.46Å; K172-S175 PolarHBondContact O-N 3.2Å; K172-S175 PolarHBondContact O-OG 2.86Å; S175-D177 PolarHBondContact O-N 3.4Å
176E48.2Very low53.7Low170 Ų170152.8 Ų152.879%0.79472%0.723SS**SBendtrans-91.382.9173.4-68.1-167.3156.300111.9
177D45.1Very low51.2Low139 Ų139153.4 Ų153.474%0.74374%0.736SS**  trans28.5121.5153.7-124.1-3.1000120.4S175 V179S175-D177 PolarHBondContact O-N 3.4Å; D177-V179 VanDerWaalsContact C-N 3.32Å; D177-V179 PolarHBondContact O-N 3.33Å
178P48.6Very low49.3Very low119 Ų119153 Ų15377%0.77375%0.746SS**THydrogen-bonded Turntrans-82.730.3-167.835.5-37.1000116.2
179V43.9Very low47.5Very low118 Ų118154.4 Ų154.472%0.71576%0.76SS**THydrogen-bonded Turntrans-116.5-1-165.8-174.60000115.4D177D177-V179 VanDerWaalsContact C-N 3.32Å; D177-V179 PolarHBondContact O-N 3.33Å
180R40.1Very low45.5Very low233 Ų233153.2 Ų153.288%0.87977%0.766SS**SBendtrans-110.6-1.3-179.2-67.7-168.7-163.1175.68.5117.2F182R180-F182 PolarHBondContact O-N 3.42Å
181V43.8Very low44.1Very low133 Ų133152.1 Ų152.181%0.80677%0.77SS**G310 helixtrans-76.2-21-174.9-178.90000113.3R183V181-R183 VanDerWaalsContact C-N 3.34Å; V181-R183 PolarHBondContact O-N 2.89Å
182F35.5Very low42.9Very low195 Ų195153.2 Ų153.286%0.85577%0.772SS**G310 helixtrans-79.1-4.1-173.6-154.5-99.6000115.8R180R180-F182 PolarHBondContact O-N 3.42Å
183R36.4Very low42Very low245 Ų245155.9 Ų155.993%0.92578%0.778SS**G310 helixtrans-109.910.8-173.3-131-173.9-159.9120.91.8116.7V181V181-R183 VanDerWaalsContact C-N 3.34Å; V181-R183 PolarHBondContact O-N 2.89Å
184R36.1Very low41.4Very low237 Ų237153.5 Ų153.589%0.89478%0.784SS**  trans-114.116.6176.4-149.9178.5-102.2153.1-7.6113.9E186R184-E186 PolarHBondContact O-N 3.24Å; R184-E186 VanDerWaalsContact O-N 3.12Å
185V40.5Very low40.6Very low120 Ų120151.9 Ų151.973%0.72779%0.786SS**  trans-77.522.4177.1-178.60000113
186E39.2Very low40Very low181 Ų181158 Ų15885%0.84680%0.802SS**  trans-143.989.4172.3-73.3-171.3156.100110.5R184R184-E186 PolarHBondContact O-N 3.24Å; R184-E186 VanDerWaalsContact O-N 3.12Å
187S34Very low39.4Very low119 Ų119158.7 Ų158.783%0.83280%0.799SS**  trans-179.875.3149.6-750000109.9
188L40.3Very low39Very low169 Ų169159.6 Ų159.689%0.88580%0.804SS**  trans-104135154.1-80.9169.9000107.8
189P40.9Very low39.1Very low113 Ų113156.8 Ų156.873%0.73479%0.786SS**  -129.6117.1122.931.6-19000108.8
190S32.7Very low38.6Very low102 Ų102159.8 Ų159.871%0.71379%0.794SS**  66.1118.189.583.60000115.1
191L37Very low38.6Very low142 Ų142158.9 Ų158.974%0.74379%0.792SS**  trans96.8108.2140.9-143.387.5000119.1
192E38.1Very low38.1Very low130 Ų130160.4 Ų160.461%0.60779%0.79SS**  trans80123.1132.5-88.9175.2-179.900122.7
193R41.4Very low38.6Very low197 Ų197156.7 Ų156.774%0.74379%0.788SS**  trans97.487.3133.9-158.7179.4-71.599.85116.1
194A41.5Very low38.6Very low102 Ų102154 Ų15484%0.84379%0.786SS**  trans-162.652.5136.500000112.2K196A194-K196 PolarHBondContact O-N 3.42Å
195T38.3Very low38.6Very low139 Ų139146.6 Ų146.685%0.85378%0.776SS**  trans-85.899.7159.337.60000108.5Y197T195-Y197 PolarHBondContact O-N 2.83Å
196K38.8Very low38.4Very low214 Ų214147.1 Ų147.193%0.9378%0.78SS**  trans-84.591.4157.6-170.5178.2179.8-176.70107.5A194A194-K196 PolarHBondContact O-N 3.42Å
197Y35.2Very low38.1Very low185 Ų185145.6 Ų145.673%0.72578%0.783SS**  trans-55.2133.4166.5-171.3-112.1000110.5T195 P199T195-Y197 PolarHBondContact O-N 2.83Å; Y197-P199 HydrophobicContact CD1-CG 4.01Å; Y197-P199 HydrophobicContact CE1-CB 3.91Å; Y197-P199 HydrophobicContact CE1-CG 3.27Å; Y197-P199 HydrophobicContact CE2-CB 4.12Å; Y197-P199 HydrophobicContact CE2-CG 4.38Å; Y197-P199 VanDerWaalsContact CZ-CG 3.48Å; Y197-P199 WeakPolarHBondContact OH-CB 3.32Å
198N36.1Very low37.9Very low158 Ų158143.1 Ų143.185%0.84578%0.776SS**  trans-144.1112.6144.1-155.731.3000108.9
199P51.4Low37.3Very low61 Ų61146 Ų14640%0.39678%0.777SS.*  trans-90139-176.938.6-32.8000109Y197Y197-P199 HydrophobicContact CD1-CG 4.01Å; Y197-P199 HydrophobicContact CE1-CB 3.91Å; Y197-P199 HydrophobicContact CE1-CG 3.27Å; Y197-P199 HydrophobicContact CE2-CB 4.12Å; Y197-P199 HydrophobicContact CE2-CG 4.38Å; Y197-P199 VanDerWaalsContact CZ-CG 3.48Å; Y197-P199 WeakPolarHBondContact OH-CB 3.32Å
200M33.7Very low36.7Very low181 Ų181144.9 Ų144.989%0.89277%0.771SS**  trans-159.9100133.4-139.1172.296.100110.5
201Y39.3Very low36.5Very low214 Ų214147.2 Ų147.284%0.83977%0.771SS**  trans70.2100.1143.6-114.9-99.8000119.8
202E34.5Very low36Very low165 Ų165150 Ų15077%0.77177%0.773SS**  trans-26.4129.2144.5-94.7161161.400114.1
203S44.5Very low35.7Very low116 Ų116154.3 Ų154.381%0.81179%0.785SS**  trans-84.4128.4146.8-4.80000106.2
204E36.6Very low35Very low189 Ų189156.3 Ų156.388%0.88379%0.793SS**  trans-144.8142.8154.5-118.1-179.7-166.600111.8
205A36.4Very low34.4Very low82 Ų82162.5 Ų162.568%0.67879%0.794SS**  trans-92.1167.1-158.700000112.7
206T37.3Very low34.1Very low131 Ų131166.5 Ų166.580%0.80480%0.795SS**  trans74.4107.3147.122.30000118.8
207T31.8Very low34.3Very low148 Ų148161.8 Ų161.891%0.90879%0.787SS**  trans-148122.2137.9-11.30000110.9
208G29.2Very low34.2Very low67 Ų67162 Ų16269%0.69179%0.794SS**  trans61.8104.1134.700000120
209Y28.5Very low33.8Very low231 Ų231159.1 Ų159.191%0.90679%0.792SS**  39.3126.2122.3-140.2-105.7000120
210S28.9Very low33.2Very low88 Ų88162.5 Ų162.562%0.61581%0.814SS**  trans101.1107.9142.8-150.60000120.3
211H28.3Very low33Very low152 Ų152159.4 Ų159.470%0.70481%0.805SS**  80.5137.2126.5-91.4-94.9000124.2
212Y27.3Very low32.4Very low200 Ų200159.6 Ų159.678%0.78481%0.806SS**  trans94.9119152.9-75.4-75.9000122.1
213Y30.2Very low32.1Very low220 Ų220156.7 Ų156.786%0.86380%0.804SS**  trans-5.2140.9153.4-83.6-94.2000119
214R26.9Very low31.4Very low240 Ų240156.5 Ų156.591%0.90680%0.803SS**  173.1144.5113-177.3167.8-85.9-173.1-6.8114.6
215R29.8Very low31Very low232 Ų232152 Ų15288%0.87580%0.798SS**  trans-39.7152.8171.4-81.5174.8-171.3114.23.7119
216Y31.4Very low30.8Very low222 Ų222153.3 Ų153.387%0.87180%0.802SS**  trans-11.9148150.4-82.4-82.2000118.4
217P43.1Very low30.5Very low116 Ų116151.6 Ų151.675%0.75380%0.801SS**  -154.3174.984.138.1-16000118.9
218E33.8Very low30.6Very low190 Ų190153.6 Ų153.689%0.88880%0.8SS**  trans-24.7162.7171.5-67.8161.8134.300122.6
219A26.4Very low30.5Very low97 Ų97154.5 Ų154.580%0.80280%0.801SS**  trans-149.315715700000110.1
220P39.4Very low30.7Very low131 Ų131148.4 Ų148.485%0.85179%0.793SS**  trans-116.1-178-13222-0.4000117.5
221T29.5Very low30.9Very low116 Ų116150 Ų15071%0.71280%0.798SS**  trans-70.7159.1-173.137.80000118.9
222Y26.3Very low31.3Very low218 Ų218149 Ų14986%0.85580%0.798SS**  172.6107.8117.2-106.5-92.2000108.4
223S28.5Very low31.4Very low105 Ų105148.1 Ų148.173%0.73480%0.799SS**  63.913685.3-69.90000114.4
224S31Very low31.7Very low111 Ų111140.9 Ų140.978%0.77678%0.78SS**  cis-170.516520.258.90000114.4
225A28.1Very low32.8Very low96 Ų96133.7 Ų133.779%0.79377%0.767SS**  trans80.2139.1145.200000118.3
226S30.9Very low33.6Very low109 Ų109129.4 Ų129.476%0.76276%0.757SS**  cis-165.3138.119.343.30000110.2
227A31.1Very low34.3Very low94 Ų94126 Ų12678%0.77775%0.749SS**  77138.510700000114.4
228E33.3Very low34.6Very low191 Ų191126.4 Ų126.489%0.89374%0.743SS**  cis-155.5155.720.9-62.4174.8147.200106.4
229A28.1Very low35Very low86 Ų86127.1 Ų127.171%0.71174%0.738SS**  -176.3124.563.400000107.4
230S33Very low35.8Very low103 Ų103129.6 Ų129.672%0.7273%0.733SS**  46.8137.697.670.20000115.4
231T33Very low36.2Very low120 Ų120130 Ų13074%0.73673%0.726SS**  cis-177.2141.42.123.10000105.6
232D36.4Very low36.9Very low131 Ų131133.5 Ų133.570%0.70173%0.728SS**  trans32.6144.9145.7-61.1-39.7000125
233F29.7Very low37.9Very low182 Ų182129.8 Ų129.880%0.79872%0.718SS**  trans96.592.7153.4-57.3-72.3000119
234S37.1Very low38.4Very low68 Ų68132.5 Ų132.548%0.47673%0.725SS.*  -149.695.8115.3-174.30000109.2E236S234-E236 PolarHBondContact O-N 3.31Å
235S48.5Very low39.2Very low90 Ų90131.8 Ų131.863%0.62972%0.72SS**THydrogen-bonded Turntrans-7810.9176-62.40000112.4
236E46.9Very low40.4Very low142 Ų142136.2 Ų136.266%0.66472%0.724SS**THydrogen-bonded Turntrans-95-15.8175.9-78.381.3-159.700113.9S234S234-E236 PolarHBondContact O-N 3.31Å
237E47Very low41.7Very low150 Ų150134.6 Ų134.670%0.70171%0.707SS**SBendtrans-82.8-23.3-179.9-120.5175.4151.800113.5R239E237-R239 VanDerWaalsContact C-N 3.3Å; E237-R239 PolarHBondContact O-N 2.91Å
238I47.9Very low43.1Very low124 Ų124133.6 Ų133.664%0.63669%0.691SS**THydrogen-bonded Turntrans-78.6-15.5-178-59.5174.9000111.8
239R44.2Very low44.3Very low205 Ų205133.3 Ų133.377%0.77469%0.687SS**THydrogen-bonded Turntrans-84.9-12.7180-129.917990.4144.85114.6E237E237-R239 VanDerWaalsContact C-N 3.3Å; E237-R239 PolarHBondContact O-N 2.91Å
240H42.4Very low46.1Very low149 Ų149136.6 Ų136.669%0.6969%0.687SS**SBendtrans-95.5-7179-77-73.3000114.3
241I46.6Very low47.7Very low140 Ų140136 Ų13672%0.71867%0.673SS**SBendtrans-84.7-17.5175.6-62.8175.9000111.7
242Y44.4Very low49.4Very low189 Ų189134.5 Ų134.574%0.74166%0.66SS**SBendtrans-105.118.3-177.3-90.5-81.4000114.7
243E48.3Very low50.9Low140 Ų140135 Ų13565%0.65466%0.658SS**SBendtrans-123.364.8176.3-154.6168.3-150.300109.9
244N39.3Very low52.9Low162 Ų162130.4 Ų130.487%0.86664%0.642SS**  trans-178.766.3152.9-85.6-33000108.9E246N244-E246 PolarHBondContact O-N 3.44Å
245S47Very low54.7Low97 Ų97134.6 Ų134.668%0.67865%0.647SS**  trans-92.992.3177.3-5.80000110.5
246E53.1Low56.1Low189 Ų189135.1 Ų135.188%0.88364%0.642SS**  trans-129.839.3145.7-74.7-163.4165.600109.9N244 T248N244-E246 PolarHBondContact O-N 3.44Å; E246-T248 PolarHBondContact O-N 3.32Å
247L58.8Low57.4Low75 Ų75136.3 Ų136.339%0.39364%0.64SS.*  trans-72.7120.2170.1-135.979.8000108.5E251 I252L247-E251 HydrophobicContact CD1-CG 4.2Å; L247-E251 HydrophobicContact CD2-CB 4.07Å; L247-E251 HydrophobicContact CD2-CG 3.95Å; L247-E251 HydrophobicContact CG-CB 3.89Å; L247-E251 HydrophobicContact CG-CG 3.81Å; L247-I252 HydrophobicContact CB-CG1 4.38Å; L247-I252 HydrophobicContact CD2-CG1 4.08Å
248T60Low58.7Low73 Ų73132.9 Ų132.945%0.44863%0.626SS.*  trans-64.9154.8-179.462.80000110.5E246 E250 E251 I252E246-T248 PolarHBondContact O-N 3.32Å; T248-E250 PolarHBondContact O-N 3.22Å; T248-E250 VanDerWaalsContact O-N 3.1Å; T248-E251 PolarHBondContact O-N 3.18Å; T248-I252 PolarHBondContact O-N 3.26Å
249K59.6Low59.9Low185 Ų185132.5 Ų132.580%0.80462%0.624SS**Hα-helixtrans-55.6-31.1-179.7-73.3-177178.1178.40112.7Q253K249-Q253 WeakPolarHBondContact O-CB 3.47Å; K249-Q253 PolarHBondContact O-N 2.9Å; K249-Q253 VanDerWaalsContact O-N 3.13Å
250E65.6Low61.2Low155 Ų155128.5 Ų128.572%0.72461%0.614SS**Hα-helixtrans-65.4-39.8178.6-68.5156.8-16000111.6T248 Q253 D254T248-E250 PolarHBondContact O-N 3.22Å; T248-E250 VanDerWaalsContact O-N 3.1Å; E250-Q253 PolarHBondContact O-N 3.43Å; E250-D254 WeakPolarHBondContact O-CB 3.45Å; E250-D254 PolarHBondContact O-N 3.25Å
251E65.4Low62.3Low89 Ų89125.3 Ų125.342%0.41660%0.601SS.*Hα-helixtrans-79-29.5-175-157161.7-174.800112.3L247 T248 R255L247-E251 HydrophobicContact CD1-CG 4.2Å; L247-E251 HydrophobicContact CD2-CB 4.07Å; L247-E251 HydrophobicContact CD2-CG 3.95Å; L247-E251 HydrophobicContact CG-CB 3.89Å; L247-E251 HydrophobicContact CG-CG 3.81Å; T248-E251 PolarHBondContact O-N 3.18Å; E251-R255 VanDerWaalsContact O-CG 3.32Å; E251-R255 WeakPolarHBondContact O-CG 3.3Å; E251-R255 PolarHBondContact O-N 2.96Å
252I69.6Low63.1Low89 Ų89123.4 Ų123.446%0.45659%0.586SS.*Hα-helixtrans-67-43.2167.2-63.2173.4000110.2L247 T248 D254 R255 I256L247-I252 HydrophobicContact CB-CG1 4.38Å; L247-I252 HydrophobicContact CD2-CG1 4.08Å; T248-I252 PolarHBondContact O-N 3.26Å; I252-D254 VanDerWaalsContact C-N 3.32Å; I252-D254 PolarHBondContact O-N 3.26Å; I252-R255 PolarHBondContact O-N 3.12Å; I252-I256 HydrophobicContact CG2-CD1 3.98Å; I252-I256 VanDerWaalsContact O-CG1 3.31Å; I252-I256 WeakPolarHBondContact O-CG1 3.49Å; I252-I256 PolarHBondContact O-N 3.15Å; I252-I256 VanDerWaalsContact O-N 3.07Å
253Q68.1Low64.2Low141 Ų141118.6 Ų118.666%0.65959%0.586SS**Hα-helixtrans-68.2-34.7-178.2-158.4168.4-9.800111.8K249 E250 I256 R257K249-Q253 WeakPolarHBondContact O-CB 3.47Å; K249-Q253 PolarHBondContact O-N 2.9Å; K249-Q253 VanDerWaalsContact O-N 3.13Å; E250-Q253 PolarHBondContact O-N 3.43Å; Q253-I256 PolarHBondContact O-N 3.18Å; Q253-R257 WeakPolarHBondContact O-CB 3.36Å; Q253-R257 PolarHBondContact O-N 2.9Å
254D70.9Confident65.1Low87 Ų87120.3 Ų120.347%0.46559%0.591SS.*Hα-helixtrans-70.7-41.6176.5-154.241.5000112.1E250 I252 I256 R257 I258E250-D254 WeakPolarHBondContact O-CB 3.45Å; E250-D254 PolarHBondContact O-N 3.25Å; I252-D254 VanDerWaalsContact C-N 3.32Å; I252-D254 PolarHBondContact O-N 3.26Å; D254-I256 VanDerWaalsContact C-N 3.32Å; D254-I256 PolarHBondContact O-N 3.25Å; D254-R257 WeakPolarHBondContact O-CB 3.35Å; D254-R257 PolarHBondContact O-N 2.91Å; D254-R257 VanDerWaalsContact O-N 3.16Å; D254-I258 WeakPolarHBondContact O-CG1 3.48Å; D254-I258 PolarHBondContact O-N 3.34Å
255R75.2Confident66.5Low155 Ų155116.2 Ų116.259%0.58557%0.569SS**Hα-helixtrans-62-38.2173.5-73.7179.7-179.4-124.62.6112.6E251 I252 I258 I259E251-R255 VanDerWaalsContact O-CG 3.32Å; E251-R255 WeakPolarHBondContact O-CG 3.3Å; E251-R255 PolarHBondContact O-N 2.96Å; I252-R255 PolarHBondContact O-N 3.12Å; R255-I258 PolarHBondContact O-N 3.35Å; R255-I259 VanDerWaalsContact O-CG1 3.3Å; R255-I259 WeakPolarHBondContact O-CG1 3.44Å; R255-I259 PolarHBondContact O-N 3.27Å; R255-I259 VanDerWaalsContact O-N 3.16Å
256I76.9Confident67.4Low102 Ų102121.8 Ų121.852%0.52358%0.575SS.*Hα-helixtrans-65.8-41.5174.5-68.5167.3000110.9I252 Q253 D254 I258 I259 E260I252-I256 HydrophobicContact CG2-CD1 3.98Å; I252-I256 VanDerWaalsContact O-CG1 3.31Å; I252-I256 WeakPolarHBondContact O-CG1 3.49Å; I252-I256 PolarHBondContact O-N 3.15Å; I252-I256 VanDerWaalsContact O-N 3.07Å; Q253-I256 PolarHBondContact O-N 3.18Å; D254-I256 VanDerWaalsContact C-N 3.32Å; D254-I256 PolarHBondContact O-N 3.25Å; I256-I258 VanDerWaalsContact C-N 3.33Å; I256-I258 PolarHBondContact O-N 3.45Å; I256-I259 PolarHBondContact O-N 3.43Å; I256-E260 WeakPolarHBondContact O-CB 3.45Å; I256-E260 PolarHBondContact O-N 3.38Å
257R74.9Confident67.9Low166 Ų166120.4 Ų120.463%0.62657%0.569SS**Hα-helixtrans-62.3-39.6178.2-170.1-176.1-120.3166.3-2112.2Q253 D254 E260 L261Q253-R257 WeakPolarHBondContact O-CB 3.36Å; Q253-R257 PolarHBondContact O-N 2.9Å; D254-R257 WeakPolarHBondContact O-CB 3.35Å; D254-R257 PolarHBondContact O-N 2.91Å; D254-R257 VanDerWaalsContact O-N 3.16Å; R257-E260 PolarHBondContact O-N 3Å; R257-L261 HydrophobicContact CG-CD1 4.34Å; R257-L261 WeakPolarHBondContact O-CB 3.47Å; R257-L261 WeakPolarHBondContact O-CG 3.43Å; R257-L261 PolarHBondContact O-N 3.12Å
258I73.6Confident68.3Low79 Ų79120 Ų12041%0.40556%0.564SS.*Hα-helixtrans-66-42.4176.5-66.7166.5000110.9D254 R255 I256 E260 L261 Y262 F268D254-I258 WeakPolarHBondContact O-CG1 3.48Å; D254-I258 PolarHBondContact O-N 3.34Å; R255-I258 PolarHBondContact O-N 3.35Å; I256-I258 VanDerWaalsContact C-N 3.33Å; I256-I258 PolarHBondContact O-N 3.45Å; I258-E260 VanDerWaalsContact C-N 3.34Å; I258-L261 PolarHBondContact O-N 2.99Å; I258-Y262 WeakPolarHBondContact O-CB 3.33Å; I258-Y262 PolarHBondContact O-N 3Å; I258-F268 HydrophobicContact CG2-CE1 4.41Å
259I73.9Confident68.5Low115 Ų115116.9 Ų116.959%0.5955%0.546SS*.Hα-helixtrans-65.4-38.8176.9-67166.8000110.9R255 I256 Y262 A263R255-I259 VanDerWaalsContact O-CG1 3.3Å; R255-I259 WeakPolarHBondContact O-CG1 3.44Å; R255-I259 PolarHBondContact O-N 3.27Å; R255-I259 VanDerWaalsContact O-N 3.16Å; I256-I259 PolarHBondContact O-N 3.43Å; I259-Y262 PolarHBondContact O-N 3.32Å; I259-A263 PolarHBondContact O-N 3.36Å
260E72.4Confident68.9Low121 Ų121111.9 Ų111.957%0.56553%0.528SS*.Hα-helixtrans-67.1-38.7176.7-164.6178.9177.500111.9I256 R257 I258 A263 K264I256-E260 WeakPolarHBondContact O-CB 3.45Å; I256-E260 PolarHBondContact O-N 3.38Å; R257-E260 PolarHBondContact O-N 3Å; I258-E260 VanDerWaalsContact C-N 3.34Å; E260-A263 PolarHBondContact O-N 3.42Å; E260-K264 VanDerWaalsContact O-CB 3.26Å; E260-K264 WeakPolarHBondContact O-CB 3.49Å; E260-K264 PolarHBondContact O-N 2.85Å; E260-K264 VanDerWaalsContact O-N 3.11Å
261L65.3Low69.3Low82 Ų82109.9 Ų109.943%0.42952%0.517SS..Hα-helixtrans-65.4-40.4172.5-75.8165000112R257 I258 A263 K264 D265 F268R257-L261 HydrophobicContact CG-CD1 4.34Å; R257-L261 WeakPolarHBondContact O-CB 3.47Å; R257-L261 WeakPolarHBondContact O-CG 3.43Å; R257-L261 PolarHBondContact O-N 3.12Å; I258-L261 PolarHBondContact O-N 2.99Å; L261-A263 VanDerWaalsContact C-N 3.31Å; L261-A263 PolarHBondContact O-N 3.29Å; L261-K264 PolarHBondContact O-N 3.49Å; L261-D265 PolarHBondContact O-N 3.37Å; L261-F268 HydrophobicContact CB-CD1 4.02Å; L261-F268 HydrophobicContact CB-CE1 4.04Å
262Y63.5Low69.5Low100 Ų100107.2 Ų107.239%0.39251%0.506SS..Hα-helixtrans-62.6-36.6175.2-172.9-92.3000112.5I258 I259 A269 V272I258-Y262 WeakPolarHBondContact O-CB 3.33Å; I258-Y262 PolarHBondContact O-N 3Å; I259-Y262 PolarHBondContact O-N 3.32Å; Y262-A269 HydrophobicContact CD2-CB 3.8Å; Y262-A269 HydrophobicContact CE2-CB 3.6Å; Y262-A269 HydrophobicContact CG-CB 4.32Å; Y262-V272 HydrophobicContact CD2-CB 4.32Å; Y262-V272 HydrophobicContact CD2-CG1 4.49Å; Y262-V272 HydrophobicContact CE2-CB 4.31Å; Y262-V272 HydrophobicContact CE2-CG1 4.42Å
263A67.3Low69.4Low89 Ų89109.6 Ų109.674%0.73651%0.51SS*.Hα-helixtrans-76.9-24.1178.100000113.6I259 E260 L261I259-A263 PolarHBondContact O-N 3.36Å; E260-A263 PolarHBondContact O-N 3.42Å; L261-A263 VanDerWaalsContact C-N 3.31Å; L261-A263 PolarHBondContact O-N 3.29Å
264K67.7Low69.3Low176 Ų176109.6 Ų109.677%0.76551%0.51SS*.Hα-helixtrans-101.3-26.3-171-157.2173.1-172.8172.20113.7E260 L261E260-K264 VanDerWaalsContact O-CB 3.26Å; E260-K264 WeakPolarHBondContact O-CB 3.49Å; E260-K264 PolarHBondContact O-N 2.85Å; E260-K264 VanDerWaalsContact O-N 3.11Å; L261-K264 PolarHBondContact O-N 3.49Å
265D67.1Low68.9Low76 Ų76111 Ų11141%0.40651%0.513SS..  trans-124.8112.3-175.7-164.4-16.7000112.4L261 Q267 F268 A269L261-D265 PolarHBondContact O-N 3.37Å; D265-Q267 VanDerWaalsContact C-N 3.25Å; D265-Q267 PolarHBondContact O-N 2.91Å; D265-Q267 PolarHBondContact OD1-N 3.26Å; D265-F268 HydrophobicContact CB-CB 4.03Å; D265-F268 PolarHBondContact O-N 3.45Å; D265-A269 PolarHBondContact O-N 3.49Å; D265-A269 VanDerWaalsContact O-N 3.08Å
266R66.2Low68Low214 Ų214109.8 Ų109.881%0.80851%0.514SS*.Hα-helixtrans-66.2-27.8-178-149.9174.6-174.61611.3112D270R266-D270 PolarHBondContact O-N 3.26Å
267Q64.6Low66.6Low159 Ų159108.2 Ų108.274%0.74352%0.516SS*.Hα-helixtrans-77.3-35.7178.4-64.7-166.2-49.400112.2D265 D270 F271D265-Q267 VanDerWaalsContact C-N 3.25Å; D265-Q267 PolarHBondContact O-N 2.91Å; D265-Q267 PolarHBondContact OD1-N 3.26Å; Q267-D270 PolarHBondContact O-N 3.02Å; Q267-F271 PolarHBondContact O-N 3.49Å; Q267-F271 VanDerWaalsContact O-N 3.12Å
268F66.1Low65.2Low66 Ų66106.7 Ų106.729%0.28952%0.521SS..Hα-helixtrans-69.7-37.9173.8-173-103.7000111.6I258 L261 D265 D270 F271 V272I258-F268 HydrophobicContact CG2-CE1 4.41Å; L261-F268 HydrophobicContact CB-CD1 4.02Å; L261-F268 HydrophobicContact CB-CE1 4.04Å; D265-F268 HydrophobicContact CB-CB 4.03Å; D265-F268 PolarHBondContact O-N 3.45Å; F268-D270 VanDerWaalsContact C-N 3.27Å; F268-D270 PolarHBondContact O-N 2.96Å; F268-F271 PolarHBondContact O-N 3.44Å; F268-V272 HydrophobicContact CD1-CG2 4.17Å; F268-V272 HydrophobicContact CE1-CG2 3.79Å; F268-V272 HydrophobicContact CE2-CG2 4.47Å; F268-V272 HydrophobicContact CZ-CG2 3.96Å; F268-V272 WeakPolarHBondContact O-CG2 3.3Å; F268-V272 PolarHBondContact O-N 3.17Å
269A64.8Low63.8Low9 Ų9108.2 Ų108.27%0.07453%0.534CS..Hα-helixtrans-62.3-33.3174.100000113.2Y262 D265 R273Y262-A269 HydrophobicContact CD2-CB 3.8Å; Y262-A269 HydrophobicContact CE2-CB 3.6Å; Y262-A269 HydrophobicContact CG-CB 4.32Å; D265-A269 PolarHBondContact O-N 3.49Å; D265-A269 VanDerWaalsContact O-N 3.08Å; A269-R273 WeakPolarHBondContact O-CB 3.26Å; A269-R273 WeakPolarHBondContact O-CG 3.45Å; A269-R273 PolarHBondContact O-N 3.41Å; A269-R273 PolarHBondContact O-NE 2.99Å
270D67.9Low62.1Low79 Ų79109.9 Ų109.942%0.42254%0.543SS..Hα-helixtrans-72.2-42.3174.5-72.2-16.5000111.5R266 Q267 F268 V272 R273 Q274R266-D270 PolarHBondContact O-N 3.26Å; Q267-D270 PolarHBondContact O-N 3.02Å; F268-D270 VanDerWaalsContact C-N 3.27Å; F268-D270 PolarHBondContact O-N 2.96Å; D270-V272 PolarHBondContact O-N 3.48Å; D270-R273 PolarHBondContact O-N 3.16Å; D270-R273 IonicContact OD1-CZ 2.63Å; D270-R273 IonicContact OD1-NE 3.92Å; D270-R273 IonicContact OD1-NH2 3.83Å; D270-R273 PolarHBondContact OD1-NH2 3.39Å; D270-Q274 WeakPolarHBondContact O-CB 3.37Å; D270-Q274 PolarHBondContact O-N 3.05Å
271F74Confident60.6Low113 Ų113109.3 Ų109.350%0.49655%0.55SS..Hα-helixtrans-59.2-45175176.7-97.8000113Q267 F268 Q274 H275Q267-F271 PolarHBondContact O-N 3.49Å; Q267-F271 VanDerWaalsContact O-N 3.12Å; F268-F271 PolarHBondContact O-N 3.44Å; F271-Q274 PolarHBondContact O-N 3.07Å; F271-H275 AromaticContact CD2-CD2 3.9Å; F271-H275 AromaticContact CE1-CD2 3.84Å; F271-H275 AromaticContact CE2-CD2 3.44Å; F271-H275 VanDerWaalsContact CE2-CD2 3.44Å; F271-H275 WeakPolarHBondContact CE2-CD2 3.32Å; F271-H275 AromaticContact CE2-NE2 3.39Å; F271-H275 WeakPolarHBondContact CE2-NE2 3.31Å; F271-H275 AromaticContact CZ-CD2 3.41Å; F271-H275 VanDerWaalsContact CZ-CD2 3.41Å; F271-H275 WeakPolarHBondContact CZ-CD2 3.47Å; F271-H275 AromaticContact CZ-NE2 3.58Å; F271-H275 PolarHBondContact O-N 3.43Å; F271-H275 VanDerWaalsContact O-N 3.13Å
272V69.3Low59.2Low33 Ų33112.9 Ų112.920%0.257%0.569CS.*Hα-helixtrans-67.1-39.9178.4174.60000111.5Y262 F268 D270 Q274 H275 Q276Y262-V272 HydrophobicContact CD2-CB 4.32Å; Y262-V272 HydrophobicContact CD2-CG1 4.49Å; Y262-V272 HydrophobicContact CE2-CB 4.31Å; Y262-V272 HydrophobicContact CE2-CG1 4.42Å; F268-V272 HydrophobicContact CD1-CG2 4.17Å; F268-V272 HydrophobicContact CE1-CG2 3.79Å; F268-V272 HydrophobicContact CE2-CG2 4.47Å; F268-V272 HydrophobicContact CZ-CG2 3.96Å; F268-V272 WeakPolarHBondContact O-CG2 3.3Å; F268-V272 PolarHBondContact O-N 3.17Å; D270-V272 PolarHBondContact O-N 3.48Å; V272-Q274 VanDerWaalsContact C-N 3.32Å; V272-Q274 PolarHBondContact O-N 2.96Å; V272-H275 PolarHBondContact O-N 2.91Å; V272-Q276 PolarHBondContact O-N 3.26Å
273R66.9Low58.2Low139 Ų139117.2 Ų117.253%0.52559%0.593SS.*Hα-helixtrans-64.8-36.6175.5-84.4-170.8-71.1175.7-3.7112.6A269 D270 H275 A277A269-R273 WeakPolarHBondContact O-CB 3.26Å; A269-R273 WeakPolarHBondContact O-CG 3.45Å; A269-R273 PolarHBondContact O-N 3.41Å; A269-R273 PolarHBondContact O-NE 2.99Å; D270-R273 PolarHBondContact O-N 3.16Å; D270-R273 IonicContact OD1-CZ 2.63Å; D270-R273 IonicContact OD1-NE 3.92Å; D270-R273 IonicContact OD1-NH2 3.83Å; D270-R273 PolarHBondContact OD1-NH2 3.39Å; R273-H275 VanDerWaalsContact C-N 3.35Å; R273-A277 PolarHBondContact O-N 3.16Å
274Q66.1Low56.7Low142 Ų142127 Ų12766%0.66461%0.611SS**Hα-helixtrans-66.8-38177.7-132.3162.3-1.400111.7D270 F271 V272D270-Q274 WeakPolarHBondContact O-CB 3.37Å; D270-Q274 PolarHBondContact O-N 3.05Å; F271-Q274 PolarHBondContact O-N 3.07Å; V272-Q274 VanDerWaalsContact C-N 3.32Å; V272-Q274 PolarHBondContact O-N 2.96Å
275H64.1Low56.1Low115 Ų115124.5 Ų124.553%0.53260%0.603SS.*Hα-helixtrans-84.3-15.9178.8-81.7-58.3000115.5F271 V272 R273F271-H275 AromaticContact CD2-CD2 3.9Å; F271-H275 AromaticContact CE1-CD2 3.84Å; F271-H275 AromaticContact CE2-CD2 3.44Å; F271-H275 VanDerWaalsContact CE2-CD2 3.44Å; F271-H275 WeakPolarHBondContact CE2-CD2 3.32Å; F271-H275 AromaticContact CE2-NE2 3.39Å; F271-H275 WeakPolarHBondContact CE2-NE2 3.31Å; F271-H275 AromaticContact CZ-CD2 3.41Å; F271-H275 VanDerWaalsContact CZ-CD2 3.41Å; F271-H275 WeakPolarHBondContact CZ-CD2 3.47Å; F271-H275 AromaticContact CZ-NE2 3.58Å; F271-H275 PolarHBondContact O-N 3.43Å; F271-H275 VanDerWaalsContact O-N 3.13Å; V272-H275 PolarHBondContact O-N 2.91Å; R273-H275 VanDerWaalsContact C-N 3.35Å
276Q54.9Low55.6Low131 Ų131127.1 Ų127.161%0.61261%0.614SS**Hα-helixtrans-82.4-23.8170.5-80.4-177.4-16.600113.2V272 D278 T279V272-Q276 PolarHBondContact O-N 3.26Å; Q276-D278 VanDerWaalsContact C-N 3.28Å; Q276-D278 PolarHBondContact O-N 3.27Å; Q276-T279 PolarHBondContact O-N 3.11Å; Q276-T279 PolarHBondContact O-OG1 3.24Å
277A47.1Very low55Low68 Ų68122.2 Ų122.256%0.56260%0.603SS**G310 helixtrans-71.3-19.1179.700000113.9R273 T279R273-A277 PolarHBondContact O-N 3.16Å; A277-T279 VanDerWaalsContact C-N 3.28Å; A277-T279 PolarHBondContact O-N 3.43Å
278D46.5Very low54.4Low135 Ų135120.1 Ų120.172%0.72260%0.595SS**G310 helixtrans-84.52.9179.4-71.7-21.5000113.7Q276Q276-D278 VanDerWaalsContact C-N 3.28Å; Q276-D278 PolarHBondContact O-N 3.27Å
279T43.7Very low53.7Low111 Ų111123.4 Ų123.468%0.68161%0.614SS**G310 helixtrans-111.231.7-179.528.30000114.7Q276 A277Q276-T279 PolarHBondContact O-N 3.11Å; Q276-T279 PolarHBondContact O-OG1 3.24Å; A277-T279 VanDerWaalsContact C-N 3.28Å; A277-T279 PolarHBondContact O-N 3.43Å
280L38.8Very low52.9Low150 Ų150131.1 Ų131.179%0.78565%0.65SS**  trans-115.5118.9165.7-82.5161.8000110.4D282L280-D282 PolarHBondContact O-N 3.1Å
281P41.3Very low51.9Low108 Ų108134.8 Ų134.870%0.70167%0.666SS**  trans-70.1128.6171.827.6-29.7000110Q283P281-Q283 PolarHBondContact O-N 3.13Å
282D36.4Very low50.2Low157 Ų157136.5 Ų136.584%0.8468%0.679SS**  trans-59.1102.3165.6-17119.7000108.8L280L280-D282 PolarHBondContact O-N 3.1Å
283Q41.2Very low48.6Very low191 Ų191145.1 Ų145.189%0.89372%0.719SS**  trans-88.997.3164.9-85-170.9-6.500108.5P281P281-Q283 PolarHBondContact O-N 3.13Å
284R35.7Very low46.9Very low294 Ų294145.6 Ų145.6100%1.10974%0.736SS**  trans-107.30149.7-178.6179.3-70.9178.5-0.1109.3

Retrieved 284 of 284 residues in 496.1 ms (Link to these results)

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