A0A087X1M6_HUMAN Loading...

Fibronectin type III domain containing 3A

AlphaFold DB , UniProt , Accession A0A087X1M6, Species HUMAN (Homo sapiens, Human), Gene FNDC3A, Length 326 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.9Very low40.6Very low247 Ų247147.9 Ų147.9100%1.21782%0.822SS**  0115.90-81-17916500106.5
2A37.7Very low40.1Very low100 Ų100150.5 Ų150.583%0.82682%0.823SS**PPolyproline II helixtrans-82.3122.3-177.600000109.1
3E38.1Very low40.5Very low195 Ų195150.4 Ų150.491%0.91182%0.819SS**PPolyproline II helixtrans-78.8122167.3-89.6-149.4111.400109.5
4H42.6Very low40.6Very low172 Ų172150.6 Ų150.680%0.79682%0.818SS**PPolyproline II helixtrans-79.6133.5163.1-96.8-94.2000109
5P52.5Low40Very low109 Ų109148.7 Ų148.771%0.70882%0.82SS**PPolyproline II helixtrans-72.9146162.329.7-30.9000110.1
6P44.1Very low40.1Very low125 Ų125145.9 Ų145.981%0.81281%0.814SS**PPolyproline II helixtrans-69.5135.517828.5-32000110.7L8P6-L8 PolarHBondContact O-N 3.11Å
7L39.2Very low39.9Very low170 Ų170146.8 Ų146.889%0.8982%0.817SS**PPolyproline II helixtrans-55.5121.9170.4-96.8153.3000109.7D9L7-D9 PolarHBondContact O-N 2.88Å; L7-D9 VanDerWaalsContact O-N 3.07Å
8L41.7Very low40.4Very low157 Ų157145.7 Ų145.782%0.82281%0.808SS**  trans-59109.2165.3-83.2156.4000108.2P6 T10P6-L8 PolarHBondContact O-N 3.11Å; L8-T10 VanDerWaalsContact C-N 3.34Å; L8-T10 PolarHBondContact O-N 2.99Å; L8-T10 PolarHBondContact O-OG1 3.12Å
9D33.2Very low40.1Very low128 Ų128143.1 Ų143.168%0.68480%0.801SS**  trans-7090.9174-135.8-30.3000108.4L7 T11L7-D9 PolarHBondContact O-N 2.88Å; L7-D9 VanDerWaalsContact O-N 3.07Å; D9-T11 PolarHBondContact O-N 2.9Å; D9-T11 PolarHBondContact OD1-OG1 2.78Å
10T39.7Very low40.2Very low120 Ų120144.6 Ų144.674%0.73681%0.806SS**  trans-76.255174.6-46.10000110.3L8L8-T10 VanDerWaalsContact C-N 3.34Å; L8-T10 PolarHBondContact O-N 2.99Å; L8-T10 PolarHBondContact O-OG1 3.12Å
11T37Very low40.4Very low104 Ų104144.2 Ų144.264%0.63880%0.801SS**  trans-131.812.5-174.450.20000114.4D9D9-T11 PolarHBondContact O-N 2.9Å; D9-T11 PolarHBondContact OD1-OG1 2.78Å
12Q34.2Very low40.4Very low179 Ų179137.5 Ų137.584%0.83678%0.779SS**  trans-105.312.3175.5-65.2-165.634.100115.3L14Q12-L14 PolarHBondContact O-N 2.89Å
13I45.1Very low40.7Very low149 Ų149136.5 Ų136.576%0.76477%0.771SS**  trans-87.290.8166.2-54.2174.6000106.6
14L42.6Very low41.4Very low154 Ų154129 Ų12981%0.80674%0.739SS**  trans169.562.7152.4-88164.6000106.5Q12 S16Q12-L14 PolarHBondContact O-N 2.89Å; L14-S16 VanDerWaalsContact C-N 3.33Å; L14-S16 PolarHBondContact O-N 2.79Å; L14-S16 PolarHBondContact O-OG 3.22Å; L14-S16 VanDerWaalsContact O-OG 3.05Å
15S31.6Very low41.8Very low122 Ų122127.4 Ų127.485%0.85374%0.735SS**  trans-59.2106164.5-110.50000107.7D17S15-D17 PolarHBondContact O-N 3.11Å
16S41.3Very low41.7Very low104 Ų104126.4 Ų126.473%0.72773%0.726SS**  trans-81.287.4-176.5-59.90000108.5L14L14-S16 VanDerWaalsContact C-N 3.33Å; L14-S16 PolarHBondContact O-N 2.79Å; L14-S16 PolarHBondContact O-OG 3.22Å; L14-S16 VanDerWaalsContact O-OG 3.05Å
17D37.3Very low41.7Very low161 Ų161122.8 Ų122.886%0.86170%0.704SS**  trans-16143.2171.2-109-44000113.4S15S15-D17 PolarHBondContact O-N 3.11Å
18I48.1Very low42.1Very low126 Ų126120.1 Ų120.165%0.64671%0.707SS**SBendtrans-109107.6171.7-53.7172.6000107.8L20I18-L20 PolarHBondContact O-N 2.86Å
19S35.7Very low42.9Very low97 Ų97117 Ų11768%0.67869%0.691SS**  trans-18112.9174-62.20000113.8L21S19-L21 PolarHBondContact O-N 3.46Å
20L42.2Very low43.9Very low172 Ų172113.3 Ų113.390%0.90168%0.684SS**  trans-60.885.2169.9-63.9171.1000109.3I18I18-L20 PolarHBondContact O-N 2.86Å
21L43.1Very low44.7Very low137 Ų137110.8 Ų110.872%0.71767%0.668SS**  trans-74.9138.7168.6-68.1-178.9000109.1S19S19-L21 PolarHBondContact O-N 3.46Å
22S41Very low45.9Very low106 Ų106109.8 Ų109.874%0.74166%0.656SS**  trans-32143.7-172-70.90000116.3
23A45.5Very low47.6Very low79 Ų79104.8 Ų104.865%0.65363%0.632SS**  trans-38.2142.7164.700000112I25A23-I25 PolarHBondContact O-N 2.88Å
24P50.8Low49.1Very low37 Ų3799.2 Ų99.224%0.2461%0.606CS.*  trans-56.6126.5-17823.3-31000108.7V26 V91P24-V26 PolarHBondContact O-N 3.36Å; P24-V91 HydrophobicContact CG-CG2 4.4Å
25I51.8Low50.9Low140 Ų14092 Ų9272%0.71857%0.568SS**  trans-68.592.3173.4-59.3170.8000105.8A23 S27A23-I25 PolarHBondContact O-N 2.88Å; I25-S27 PolarHBondContact O-N 2.82Å
26V49.8Very low53.4Low87 Ų8787.5 Ų87.553%0.52753%0.534SS..  trans-70.7114.8168.9167.70000106.6P24P24-V26 PolarHBondContact O-N 3.36Å
27S45.7Very low55.4Low50 Ų5082.6 Ų82.635%0.3550%0.499SS..  trans-62143.2170.1-179.50000109.3I25 D29 G30I25-S27 PolarHBondContact O-N 2.82Å; S27-D29 VanDerWaalsContact CB-OD1 3.23Å; S27-D29 WeakPolarHBondContact CB-OD1 3.31Å; S27-D29 PolarHBondContact O-N 2.86Å; S27-D29 PolarHBondContact OG-OD1 2.86Å; S27-G30 PolarHBondContact O-N 3.41Å
28A47.7Very low57.6Low114 Ų11477.7 Ų77.794%0.94247%0.471SS*.THydrogen-bonded Turntrans-62.7-3.7-168.300000115.5
29D56.8Low59.3Low90 Ų9071.8 Ų71.848%0.48144%0.441SS..THydrogen-bonded Turntrans-101.9-4.2178.465.3-35.8000113.8S27 T31S27-D29 VanDerWaalsContact CB-OD1 3.23Å; S27-D29 WeakPolarHBondContact CB-OD1 3.31Å; S27-D29 PolarHBondContact O-N 2.86Å; S27-D29 PolarHBondContact OG-OD1 2.86Å; D29-T31 PolarHBondContact O-N 3.06Å; D29-T31 VanDerWaalsContact O-N 3.15Å; D29-T31 PolarHBondContact OD2-OG1 2.86Å
30G54.8Low61.5Low52 Ų5269.3 Ų69.354%0.53642%0.42SS..SBendtrans72.30.3174.100000115.7S27S27-G30 PolarHBondContact O-N 3.41Å
31T56.9Low63.4Low66 Ų6665.8 Ų65.841%0.40541%0.408SS..SBendtrans-88.1-36.7-177.966.80000112.4D29 P68 N69D29-T31 PolarHBondContact O-N 3.06Å; D29-T31 VanDerWaalsContact O-N 3.15Å; D29-T31 PolarHBondContact OD2-OG1 2.86Å; T31-P68 CarbonylContact C-O 3.54Å; T31-P68 CarbonylContact O-C 3.52Å; T31-N69 PolarHBondContact O-N 2.88Å
32Q62.8Low65.2Low83 Ų8362.9 Ų62.939%0.38841%0.411SS..  trans-102122.8-174.7-64.8174.643.100112.4M66 S67Q32-M66 HydrophobicContact CB-SD 4.27Å; Q32-S67 WeakPolarHBondContact CA-O 3.36Å
33Q70.1Confident67.1Low74 Ų7458.9 Ų58.935%0.34638%0.38SS..EExtended strand (participates in β ladder)trans-121.7140.2175.9-63.3-178.32400111S67Q33-S67 PolarHBondContact N-O 2.85Å; Q33-S67 WeakPolarHBondContact O-CA 3.32Å; Q33-S67 WeakPolarHBondContact O-CB 3.45Å; Q33-S67 PolarHBondContact O-N 2.87Å
34V76.1Confident68.9Low33 Ų3356.5 Ų56.520%0.236%0.361CS..EExtended strand (participates in β ladder)trans-85.4120.9172-177.40000109.3P64 M66V34-P64 HydrophobicContact CG1-CB 4.1Å; V34-M66 HydrophobicContact CG2-CE 3.9Å; V34-M66 HydrophobicContact CG2-SD 3.94Å
35I79.4Confident70.5Confident2 Ų254.7 Ų54.71%0.0135%0.349CS..EExtended strand (participates in β ladder)trans-101.8136.4174.1-60.5-177.2000108V37 P64 M65 S67 S71 V72 R92 V94I35-V37 HydrophobicContact CG2-CG2 4.45Å; I35-P64 CarbonylContact O-C 3.13Å; I35-P64 WeakPolarHBondContact O-CA 3.38Å; I35-M65 PolarHBondContact N-O 2.97Å; I35-M65 PolarHBondContact O-N 3.35Å; I35-S67 VanDerWaalsContact CD1-CB 3.5Å; I35-S71 WeakPolarHBondContact CD1-O 3.33Å; I35-V72 HydrophobicContact CD1-CG2 4.13Å; I35-R92 HydrophobicContact CG2-CB 4.22Å; I35-R92 VanDerWaalsContact CG2-O 3.25Å; I35-R92 WeakPolarHBondContact CG2-O 3.45Å; I35-V94 HydrophobicContact CG2-CG2 4.46Å
36L84Confident72Confident28 Ų2850 Ų5015%0.14733%0.327CS..EExtended strand (participates in β ladder)trans-108104-179.8-76.6131.2000109.8Q62 V91 R92 R93L36-Q62 HydrophobicContact CD2-CG 3.92Å; L36-V91 HydrophobicContact CB-CG1 4.22Å; L36-V91 HydrophobicContact CD1-CG1 3.61Å; L36-R92 PolarHBondContact N-O 2.93Å; L36-R93 VanDerWaalsContact O-CA 3.26Å; L36-R93 WeakPolarHBondContact O-CA 3.46Å
37V83Confident73.7Confident0 Ų046.5 Ų46.50%031%0.305CS..EExtended strand (participates in β ladder)trans-84.3129177.1-1790000109.5I35 F45 Q62 V63 M65 I75 V94I35-V37 HydrophobicContact CG2-CG2 4.45Å; V37-F45 HydrophobicContact CB-CE1 4.12Å; V37-F45 HydrophobicContact CB-CZ 4.19Å; V37-F45 HydrophobicContact CG1-CD1 3.8Å; V37-F45 HydrophobicContact CG1-CE1 3.22Å; V37-F45 HydrophobicContact CG1-CZ 3.67Å; V37-Q62 CarbonylContact O-C 3.57Å; V37-Q62 WeakPolarHBondContact O-CA 3.31Å; V37-V63 HydrophobicContact CB-CB 4.38Å; V37-V63 PolarHBondContact N-O 3.26Å; V37-V63 PolarHBondContact O-N 3.25Å; V37-M65 HydrophobicContact CG2-CG 4.07Å; V37-M65 HydrophobicContact CG2-SD 3.63Å; V37-I75 HydrophobicContact CG1-CD1 4.48Å; V37-I75 HydrophobicContact CG2-CD1 4.15Å; V37-V94 HydrophobicContact CB-CB 4.47Å; V37-V94 HydrophobicContact CG1-CB 4.04Å; V37-V94 HydrophobicContact CG2-CB 4.11Å; V37-V94 HydrophobicContact CG2-CG2 4.13Å
38Q85Confident75.4Confident58 Ų5851 Ų5127%0.27131%0.314SS..EExtended strand (participates in β ladder)trans-107.7129.8177.4179.7170.8-3400109.9V94Q38-V94 PolarHBondContact N-O 3.06Å
39V83.7Confident76.9Confident2 Ų250.8 Ų50.81%0.01229%0.289CS..EExtended strand (participates in β ladder)trans-112.6124.3176.2-158.90000108.2E43 F45 I57 P60 A61V39-E43 HydrophobicContact CG1-CB 4.14Å; V39-E43 VanDerWaalsContact CG1-O 3.27Å; V39-E43 WeakPolarHBondContact CG1-O 3.38Å; V39-F45 HydrophobicContact CB-CD1 4.5Å; V39-F45 HydrophobicContact CG1-CD1 4.42Å; V39-F45 HydrophobicContact CG2-CD1 3.37Å; V39-F45 HydrophobicContact CG2-CE1 3.12Å; V39-F45 HydrophobicContact CG2-CZ 4.32Å; V39-I57 HydrophobicContact CG2-CG2 4.21Å; V39-P60 VanDerWaalsContact O-CA 3.31Å; V39-P60 WeakPolarHBondContact O-CA 3.41Å; V39-A61 HydrophobicContact CB-CB 4.32Å; V39-A61 HydrophobicContact CG2-CB 4.21Å; V39-A61 PolarHBondContact N-O 3.3Å; V39-A61 PolarHBondContact O-N 2.82Å
40N82.4Confident77.7Confident45 Ų4556.5 Ų56.524%0.24131%0.313CS..  trans-80.1160.9177.6-52.8-53.8000110.9G42 E43 G59N40-G42 PolarHBondContact O-N 3.22Å; N40-E43 HydrophobicContact CB-CG 4.36Å; N40-E43 WeakPolarHBondContact CB-OE2 3.5Å; N40-E43 PolarHBondContact N-OE2 3.26Å; N40-E43 PolarHBondContact ND2-OE2 3.33Å; N40-E43 WeakPolarHBondContact O-CB 3.4Å; N40-E43 PolarHBondContact O-N 3.47Å; N40-E43 VanDerWaalsContact O-N 3.15Å; N40-G59 WeakPolarHBondContact O-CA 3.32Å
41P82Confident78.9Confident99 Ų9958.2 Ų58.264%0.64331%0.31SS*.BIsolated β-bridgetrans-53.6134.7172.7-22.831.5000112.3E43 P60P41-E43 PolarHBondContact O-N 3.17Å; P41-P60 HydrophobicContact CG-CB 3.96Å; P41-P60 HydrophobicContact CG-CG 4.23Å
42G79.1Confident80Confident75 Ų7556.3 Ų56.377%0.77330%0.304SS*.THydrogen-bonded Turntrans79.3-3.9179.900000114.7N40N40-G42 PolarHBondContact O-N 3.22Å
43E81.6Confident80.9Confident22 Ų2257.7 Ų57.710%0.10331%0.31CS..  trans-102.7155.9174.8-62-178.8157.200110.9V39 N40 P41 G59 Y81 V96V39-E43 HydrophobicContact CG1-CB 4.14Å; V39-E43 VanDerWaalsContact CG1-O 3.27Å; V39-E43 WeakPolarHBondContact CG1-O 3.38Å; N40-E43 HydrophobicContact CB-CG 4.36Å; N40-E43 WeakPolarHBondContact CB-OE2 3.5Å; N40-E43 PolarHBondContact N-OE2 3.26Å; N40-E43 PolarHBondContact ND2-OE2 3.33Å; N40-E43 WeakPolarHBondContact O-CB 3.4Å; N40-E43 PolarHBondContact O-N 3.47Å; N40-E43 VanDerWaalsContact O-N 3.15Å; P41-E43 PolarHBondContact O-N 3.17Å; E43-G59 PolarHBondContact O-N 2.88Å; E43-Y81 HydrophobicContact CG-CE1 4.22Å; E43-V96 VanDerWaalsContact CD-O 3.24Å; E43-V96 VanDerWaalsContact OE1-O 3.09Å
44A83Confident81.5Confident29 Ų2960.4 Ų60.424%0.2432%0.321CS..EExtended strand (participates in β ladder)trans-142150.1172.200000110.6I57 P78A44-I57 CarbonylContact C-O 3.53Å; A44-I57 WeakPolarHBondContact CA-O 3.5Å; A44-I57 WeakPolarHBondContact CB-O 3.49Å; A44-P78 VanDerWaalsContact O-CD 3.29Å; A44-P78 WeakPolarHBondContact O-CD 3.39Å
45F83.9Confident81.9Confident0 Ų063 Ų630%033%0.331CS..EExtended strand (participates in β ladder)trans-126.8159.5165.473.5-103.5000110.5V37 V39 I47 C56 I57 V63 I75 V96V37-F45 HydrophobicContact CB-CE1 4.12Å; V37-F45 HydrophobicContact CB-CZ 4.19Å; V37-F45 HydrophobicContact CG1-CD1 3.8Å; V37-F45 HydrophobicContact CG1-CE1 3.22Å; V37-F45 HydrophobicContact CG1-CZ 3.67Å; V39-F45 HydrophobicContact CB-CD1 4.5Å; V39-F45 HydrophobicContact CG1-CD1 4.42Å; V39-F45 HydrophobicContact CG2-CD1 3.37Å; V39-F45 HydrophobicContact CG2-CE1 3.12Å; V39-F45 HydrophobicContact CG2-CZ 4.32Å; F45-I47 HydrophobicContact CD2-CG2 3.71Å; F45-I47 HydrophobicContact CE2-CB 4.27Å; F45-I47 HydrophobicContact CE2-CG1 4.2Å; F45-I47 HydrophobicContact CE2-CG2 3.35Å; F45-I47 HydrophobicContact CZ-CG2 4.48Å; F45-C56 CarbonylContact O-C 3.49Å; F45-C56 WeakPolarHBondContact O-CA 3.33Å; F45-I57 HydrophobicContact CE1-CB 4.16Å; F45-I57 HydrophobicContact CE1-CG2 4.36Å; F45-I57 HydrophobicContact CE2-CB 4.16Å; F45-I57 HydrophobicContact CE2-CD1 4.05Å; F45-I57 HydrophobicContact CE2-CG1 4.15Å; F45-I57 HydrophobicContact CZ-CB 3.96Å; F45-I57 HydrophobicContact CZ-CD1 3.87Å; F45-I57 HydrophobicContact CZ-CG1 4.2Å; F45-I57 HydrophobicContact CZ-CG2 4.38Å; F45-I57 PolarHBondContact N-O 2.91Å; F45-I57 PolarHBondContact O-N 3.27Å; F45-V63 HydrophobicContact CE1-CG2 4.21Å; F45-V63 HydrophobicContact CZ-CB 4.16Å; F45-V63 HydrophobicContact CZ-CG1 4.48Å; F45-V63 HydrophobicContact CZ-CG2 3.9Å; F45-I75 HydrophobicContact CB-CG2 3.63Å; F45-I75 HydrophobicContact CD2-CG2 3.99Å; F45-I75 HydrophobicContact CG-CG2 3.96Å; F45-V96 HydrophobicContact CB-CG2 3.96Å
46T84.8Confident82.4Confident41 Ų4167.3 Ų67.325%0.25236%0.36SS..EExtended strand (participates in β ladder)trans-116.6126.9174.7-56.10000109.7F54 Q55 Y76T46-F54 HydrophobicContact CG2-CB 3.67Å; T46-F54 HydrophobicContact CG2-CD1 3.78Å; T46-F54 HydrophobicContact CG2-CG 4.16Å; T46-Q55 WeakPolarHBondContact CA-O 3.45Å; T46-Y76 PolarHBondContact N-O 3.26Å; T46-Y76 PolarHBondContact O-N 3.32Å
47I86.1Confident82.5Confident14 Ų1467.3 Ų67.37%0.07236%0.36CS..EExtended strand (participates in β ladder)trans-105.2143.8170.650.3167.5000110.3F45 F54 Q55 I57 M65 I75F45-I47 HydrophobicContact CD2-CG2 3.71Å; F45-I47 HydrophobicContact CE2-CB 4.27Å; F45-I47 HydrophobicContact CE2-CG1 4.2Å; F45-I47 HydrophobicContact CE2-CG2 3.35Å; F45-I47 HydrophobicContact CZ-CG2 4.48Å; I47-F54 WeakPolarHBondContact O-CA 3.43Å; I47-Q55 HydrophobicContact CG1-CB 4.09Å; I47-Q55 PolarHBondContact N-O 3.33Å; I47-Q55 PolarHBondContact O-N 3.36Å; I47-I57 HydrophobicContact CD1-CD1 4.35Å; I47-M65 HydrophobicContact CB-CE 4.08Å; I47-M65 HydrophobicContact CD1-CE 3.8Å; I47-M65 HydrophobicContact CG2-CE 3.49Å; I47-M65 VanDerWaalsContact CG2-CE 3.49Å; I47-M65 HydrophobicContact CG2-SD 3.92Å; I47-I75 HydrophobicContact CG2-CG1 4.11Å
48R81.4Confident82.7Confident144 Ų14471.9 Ų71.954%0.54339%0.388SS..EExtended strand (participates in β ladder)trans-89.5119.1168.6-172.5177177.4-166.5-3.8108.7Q53 F54 Y76R48-Q53 WeakPolarHBondContact CA-O 3.35Å; R48-F54 HydrophobicContact CB-CD1 4.22Å; R48-F54 HydrophobicContact CB-CE1 4.06Å; R48-F54 HydrophobicContact CG-CE1 4.24Å; R48-Y76 HydrophobicContact CB-CE2 4.43Å
49R78.5Confident82.8Confident109 Ų10969.7 Ų69.741%0.41138%0.381SS..  trans-73.5165.3172.4-70.9-162.3-61.3-178.6-6.3110.8D51 G52 Q53R49-D51 WeakPolarHBondContact CB-OD1 3.49Å; R49-D51 IonicContact CZ-OD2 3.51Å; R49-D51 IonicContact NE-OD1 3.71Å; R49-D51 IonicContact NE-OD2 3.58Å; R49-D51 IonicContact NH2-OD2 3.36Å; R49-D51 PolarHBondContact NH2-OD2 3.44Å; R49-D51 PolarHBondContact O-N 3.29Å; R49-G52 WeakPolarHBondContact O-CA 3.42Å; R49-G52 PolarHBondContact O-N 2.9Å; R49-Q53 PolarHBondContact N-O 3.44Å
50E73.2Confident83Confident211 Ų21174.6 Ų74.699%0.98641%0.413SS*.THydrogen-bonded Turntrans-63.5-26.1179.765.3-170.3178.500113.7G52E50-G52 PolarHBondContact O-N 3.41Å
51D80.9Confident83.1Confident88 Ų8874 Ų7447%0.47141%0.414SS..THydrogen-bonded Turntrans-74.9-1.8172.265.4-1.4000113.2R49 Q53R49-D51 WeakPolarHBondContact CB-OD1 3.49Å; R49-D51 IonicContact CZ-OD2 3.51Å; R49-D51 IonicContact NE-OD1 3.71Å; R49-D51 IonicContact NE-OD2 3.58Å; R49-D51 IonicContact NH2-OD2 3.36Å; R49-D51 PolarHBondContact NH2-OD2 3.44Å; R49-D51 PolarHBondContact O-N 3.29Å; D51-Q53 VanDerWaalsContact C-N 3.3Å; D51-Q53 PolarHBondContact O-N 2.98Å; D51-Q53 WeakPolarHBondContact OD1-CB 3.37Å; D51-Q53 PolarHBondContact OD1-N 2.86Å
52G79.6Confident83.3Confident26 Ų2672.8 Ų72.827%0.26840%0.4SS..SBendtrans82.9-3.1-177.500000114.8R49 E50R49-G52 WeakPolarHBondContact O-CA 3.42Å; R49-G52 PolarHBondContact O-N 2.9Å; E50-G52 PolarHBondContact O-N 3.41Å
53Q80.9Confident83.5Confident111 Ų11170.3 Ų70.352%0.51937%0.37SS..  trans-75.8152176.7-66.9-17119.800112R48 R49 D51R48-Q53 WeakPolarHBondContact CA-O 3.35Å; R49-Q53 PolarHBondContact N-O 3.44Å; D51-Q53 VanDerWaalsContact C-N 3.3Å; D51-Q53 PolarHBondContact O-N 2.98Å; D51-Q53 WeakPolarHBondContact OD1-CB 3.37Å; D51-Q53 PolarHBondContact OD1-N 2.86Å
54F83.8Confident83.6Confident131 Ų13173.5 Ų73.558%0.57539%0.393SS*.EExtended strand (participates in β ladder)trans-96.4131.8174.9-66.4-80.2000110.3T46 I47 R48 Y76T46-F54 HydrophobicContact CG2-CB 3.67Å; T46-F54 HydrophobicContact CG2-CD1 3.78Å; T46-F54 HydrophobicContact CG2-CG 4.16Å; I47-F54 WeakPolarHBondContact O-CA 3.43Å; R48-F54 HydrophobicContact CB-CD1 4.22Å; R48-F54 HydrophobicContact CB-CE1 4.06Å; R48-F54 HydrophobicContact CG-CE1 4.24Å; F54-Y76 HydrophobicContact CE1-CD2 4.14Å; F54-Y76 AromaticContact CE1-CE2 3.97Å; F54-Y76 HydrophobicContact CE1-CE2 3.97Å
55Q84.5Confident83.5Confident87 Ų8773.3 Ų73.341%0.40739%0.387SS..EExtended strand (participates in β ladder)trans-115.9117.8172.3177.517355.500108.8T46 I47 I57T46-Q55 WeakPolarHBondContact CA-O 3.45Å; I47-Q55 HydrophobicContact CG1-CB 4.09Å; I47-Q55 PolarHBondContact N-O 3.33Å; I47-Q55 PolarHBondContact O-N 3.36Å; Q55-I57 HydrophobicContact CG-CG1 4.19Å
56C88.1Confident83Confident94 Ų9478.7 Ų78.764%0.63541%0.414SS*.EExtended strand (participates in β ladder)trans-82.1136.4170.661.40000109.9F45F45-C56 CarbonylContact O-C 3.49Å; F45-C56 WeakPolarHBondContact O-CA 3.33Å
57I86.1Confident82.3Confident27 Ų2776.8 Ų76.814%0.13840%0.402CS..EExtended strand (participates in β ladder)trans-124.7119.7175.7-56.3-164000107.9V39 A44 F45 I47 Q55 A61 V63V39-I57 HydrophobicContact CG2-CG2 4.21Å; A44-I57 CarbonylContact C-O 3.53Å; A44-I57 WeakPolarHBondContact CA-O 3.5Å; A44-I57 WeakPolarHBondContact CB-O 3.49Å; F45-I57 HydrophobicContact CE1-CB 4.16Å; F45-I57 HydrophobicContact CE1-CG2 4.36Å; F45-I57 HydrophobicContact CE2-CB 4.16Å; F45-I57 HydrophobicContact CE2-CD1 4.05Å; F45-I57 HydrophobicContact CE2-CG1 4.15Å; F45-I57 HydrophobicContact CZ-CB 3.96Å; F45-I57 HydrophobicContact CZ-CD1 3.87Å; F45-I57 HydrophobicContact CZ-CG1 4.2Å; F45-I57 HydrophobicContact CZ-CG2 4.38Å; F45-I57 PolarHBondContact N-O 2.91Å; F45-I57 PolarHBondContact O-N 3.27Å; I47-I57 HydrophobicContact CD1-CD1 4.35Å; Q55-I57 HydrophobicContact CG-CG1 4.19Å; I57-A61 HydrophobicContact CG2-CB 4.1Å; I57-V63 HydrophobicContact CD1-CB 4.38Å; I57-V63 HydrophobicContact CD1-CG1 3.88Å; I57-V63 HydrophobicContact CD1-CG2 3.65Å; I57-V63 HydrophobicContact CG2-CG2 3.78Å
58T87.3Confident81.3Confident96 Ų9680 Ų8059%0.58942%0.424SS*.EExtended strand (participates in β ladder)trans-101.3135.7179.6-51.30000109.4
59G87.9Confident80.8Confident13 Ų1379.7 Ų79.713%0.13443%0.433CS..BIsolated β-bridgetrans-81.4169179.800000114.1N40 E43N40-G59 WeakPolarHBondContact O-CA 3.32Å; E43-G59 PolarHBondContact O-N 2.88Å
60P88.3Confident80.1Confident105 Ų10574.7 Ų74.768%0.68242%0.415SS*.SBendcis-76.2122.32.727.8-31.5000112.8V39 P41V39-P60 VanDerWaalsContact O-CA 3.31Å; V39-P60 WeakPolarHBondContact O-CA 3.41Å; P41-P60 HydrophobicContact CG-CB 3.96Å; P41-P60 HydrophobicContact CG-CG 4.23Å
61A84.7Confident79.8Confident31 Ų3167.6 Ų67.626%0.25639%0.389SS..EExtended strand (participates in β ladder)trans-148.1147.8-17800000111.8V39 I57V39-A61 HydrophobicContact CB-CB 4.32Å; V39-A61 HydrophobicContact CG2-CB 4.21Å; V39-A61 PolarHBondContact N-O 3.3Å; V39-A61 PolarHBondContact O-N 2.82Å; I57-A61 HydrophobicContact CG2-CB 4.1Å
62Q85.1Confident79.1Confident75 Ų7565.5 Ų65.535%0.3538%0.379SS..EExtended strand (participates in β ladder)trans-119117168.1-168.4177.223.700108.8L36 V37L36-Q62 HydrophobicContact CD2-CG 3.92Å; V37-Q62 CarbonylContact O-C 3.57Å; V37-Q62 WeakPolarHBondContact O-CA 3.31Å
63V84.6Confident78.6Confident23 Ų2365.5 Ų65.514%0.13937%0.374CS..EExtended strand (participates in β ladder)trans-111110.8-172.3-173.70000109V37 F45 I57 M65V37-V63 HydrophobicContact CB-CB 4.38Å; V37-V63 PolarHBondContact N-O 3.26Å; V37-V63 PolarHBondContact O-N 3.25Å; F45-V63 HydrophobicContact CE1-CG2 4.21Å; F45-V63 HydrophobicContact CZ-CB 4.16Å; F45-V63 HydrophobicContact CZ-CG1 4.48Å; F45-V63 HydrophobicContact CZ-CG2 3.9Å; I57-V63 HydrophobicContact CD1-CB 4.38Å; I57-V63 HydrophobicContact CD1-CG1 3.88Å; I57-V63 HydrophobicContact CD1-CG2 3.65Å; I57-V63 HydrophobicContact CG2-CG2 3.78Å; V63-M65 HydrophobicContact CG1-CG 4.04Å; V63-M65 PolarHBondContact O-N 3.45Å
64P83.9Confident78.4Confident89 Ų8964.1 Ų64.158%0.57838%0.375SS*.EExtended strand (participates in β ladder)trans-71.4128.2168.630.4-32000108.8V34 I35V34-P64 HydrophobicContact CG1-CB 4.1Å; I35-P64 CarbonylContact O-C 3.13Å; I35-P64 WeakPolarHBondContact O-CA 3.38Å
65M79.4Confident78.1Confident25 Ų2559 Ų5912%0.12335%0.353CS..EExtended strand (participates in β ladder)trans-121.1135176.3-62.9-165.67500109.2I35 V37 I47 V63 P73I35-M65 PolarHBondContact N-O 2.97Å; I35-M65 PolarHBondContact O-N 3.35Å; V37-M65 HydrophobicContact CG2-CG 4.07Å; V37-M65 HydrophobicContact CG2-SD 3.63Å; I47-M65 HydrophobicContact CB-CE 4.08Å; I47-M65 HydrophobicContact CD1-CE 3.8Å; I47-M65 HydrophobicContact CG2-CE 3.49Å; I47-M65 VanDerWaalsContact CG2-CE 3.49Å; I47-M65 HydrophobicContact CG2-SD 3.92Å; V63-M65 HydrophobicContact CG1-CG 4.04Å; V63-M65 PolarHBondContact O-N 3.45Å; M65-P73 HydrophobicContact CB-CG 4.18Å; M65-P73 HydrophobicContact CE-CB 3.71Å; M65-P73 HydrophobicContact CE-CG 3.22Å; M65-P73 HydrophobicContact CG-CG 4.45Å; M65-P73 HydrophobicContact SD-CB 4.47Å; M65-P73 HydrophobicContact SD-CG 3.4Å; M65-P73 WeakPolarHBondContact SD-CG 3.47Å
66M74.6Confident78Confident113 Ų11360.5 Ų60.556%0.55736%0.356SS*.EExtended strand (participates in β ladder)trans-81.8123.9173.2-160.36266.500109Q32 V34Q32-M66 HydrophobicContact CB-SD 4.27Å; V34-M66 HydrophobicContact CG2-CE 3.9Å; V34-M66 HydrophobicContact CG2-SD 3.94Å
67S69.7Low77.6Confident1 Ų157.9 Ų57.91%0.00734%0.337CS..EExtended strand (participates in β ladder)trans-103.2113.1172.5-176.90000109.5Q32 Q33 I35 N69 G70 S71Q32-S67 WeakPolarHBondContact CA-O 3.36Å; Q33-S67 PolarHBondContact N-O 2.85Å; Q33-S67 WeakPolarHBondContact O-CA 3.32Å; Q33-S67 WeakPolarHBondContact O-CB 3.45Å; Q33-S67 PolarHBondContact O-N 2.87Å; I35-S67 VanDerWaalsContact CD1-CB 3.5Å; S67-N69 PolarHBondContact O-N 3.14Å; S67-G70 WeakPolarHBondContact OG-CA 3.38Å; S67-G70 PolarHBondContact OG-N 3.19Å; S67-S71 WeakPolarHBondContact CB-O 3.39Å; S67-S71 PolarHBondContact OG-N 3.3Å; S67-S71 PolarHBondContact OG-O 3.27Å
68P65.8Low77.2Confident82 Ų8259.1 Ų59.153%0.53235%0.347SS..THydrogen-bonded Turntrans-69.9-11.9179.826.2-32.4000114T31T31-P68 CarbonylContact C-O 3.54Å; T31-P68 CarbonylContact O-C 3.52Å
69N70.1Confident76.7Confident136 Ų13660.9 Ų60.973%0.72736%0.36SS*.THydrogen-bonded Turntrans-137.311.1-178.1-66.7-34.4000113.4T31 S67 S71T31-N69 PolarHBondContact O-N 2.88Å; S67-N69 PolarHBondContact O-N 3.14Å; N69-S71 PolarHBondContact O-N 2.96Å
70G64.2Low76.2Confident4 Ų462.4 Ų62.44%0.04138%0.376CS..SBendtrans70.11.1-169.900000115.4S67 R92S67-G70 WeakPolarHBondContact OG-CA 3.38Å; S67-G70 PolarHBondContact OG-N 3.19Å; G70-R92 PolarHBondContact O-NH1 2.61Å
71S67.2Low75.7Confident63 Ų6361.2 Ų61.244%0.44136%0.358SS..PPolyproline II helixtrans-77.1141.9171.862.10000111.7I35 S67 N69I35-S71 WeakPolarHBondContact CD1-O 3.33Å; S67-S71 WeakPolarHBondContact CB-O 3.39Å; S67-S71 PolarHBondContact OG-N 3.3Å; S67-S71 PolarHBondContact OG-O 3.27Å; N69-S71 PolarHBondContact O-N 2.96Å
72V65.7Low75.5Confident44 Ų4461.4 Ų61.427%0.26736%0.36SS..PPolyproline II helixtrans-64.3129.1171.7174.80000109I35 I75 V85 V94I35-V72 HydrophobicContact CD1-CG2 4.13Å; V72-I75 HydrophobicContact CG1-CD1 3.78Å; V72-V85 HydrophobicContact CG2-CG1 3.91Å; V72-V85 HydrophobicContact CG2-CG2 3.95Å; V72-V94 HydrophobicContact CB-CG2 4.49Å; V72-V94 HydrophobicContact CG1-CG2 3.56Å; V72-V94 HydrophobicContact CG2-CG2 4.04Å
73P69.9Low75.3Confident25 Ų2560.7 Ų60.716%0.16236%0.362CS..PPolyproline II helixtrans-59.9153.4176.722.8-31.3000110.6M65 I75M65-P73 HydrophobicContact CB-CG 4.18Å; M65-P73 HydrophobicContact CE-CB 3.71Å; M65-P73 HydrophobicContact CE-CG 3.22Å; M65-P73 HydrophobicContact CG-CG 4.45Å; M65-P73 HydrophobicContact SD-CB 4.47Å; M65-P73 HydrophobicContact SD-CG 3.4Å; M65-P73 WeakPolarHBondContact SD-CG 3.47Å; P73-I75 WeakPolarHBondContact O-CG1 3.29Å; P73-I75 PolarHBondContact O-N 3.23Å
74P76.1Confident75.1Confident82 Ų8264.8 Ų64.853%0.53238%0.379SS..  trans-62.4112.1178.624.5-32000110Y76P74-Y76 HydrophobicContact CB-CE2 4.44Å
75I77.9Confident74.8Confident24 Ų2464.2 Ų64.212%0.12337%0.374CS..EExtended strand (participates in β ladder)trans-107120.7179.2-66.7160.6000107.8V37 F45 I47 V72 P73 V77 V94V37-I75 HydrophobicContact CG1-CD1 4.48Å; V37-I75 HydrophobicContact CG2-CD1 4.15Å; F45-I75 HydrophobicContact CB-CG2 3.63Å; F45-I75 HydrophobicContact CD2-CG2 3.99Å; F45-I75 HydrophobicContact CG-CG2 3.96Å; I47-I75 HydrophobicContact CG2-CG1 4.11Å; V72-I75 HydrophobicContact CG1-CD1 3.78Å; P73-I75 WeakPolarHBondContact O-CG1 3.29Å; P73-I75 PolarHBondContact O-N 3.23Å; I75-V77 HydrophobicContact CG2-CG1 4.14Å; I75-V94 HydrophobicContact CD1-CB 3.98Å; I75-V94 HydrophobicContact CD1-CG1 3.67Å; I75-V94 HydrophobicContact CD1-CG2 3.99Å
76Y81.4Confident74.9Confident119 Ų11966.4 Ų66.447%0.46739%0.385SS..EExtended strand (participates in β ladder)trans-95.1127.2173.4-61.7-87.1000108.8T46 R48 F54 P74T46-Y76 PolarHBondContact N-O 3.26Å; T46-Y76 PolarHBondContact O-N 3.32Å; R48-Y76 HydrophobicContact CB-CE2 4.43Å; F54-Y76 HydrophobicContact CE1-CD2 4.14Å; F54-Y76 AromaticContact CE1-CE2 3.97Å; F54-Y76 HydrophobicContact CE1-CE2 3.97Å; P74-Y76 HydrophobicContact CB-CE2 4.44Å
77V80.8Confident75.2Confident39 Ų3966.9 Ų66.924%0.23639%0.386CS..  trans-111.1154.4179.5-64.80000110I75 Y81 P83 V96I75-V77 HydrophobicContact CG2-CG1 4.14Å; V77-Y81 WeakPolarHBondContact CG2-O 3.39Å; V77-P83 HydrophobicContact CG1-CB 4.15Å; V77-P83 HydrophobicContact CG1-CG 4.32Å; V77-V96 HydrophobicContact CB-CG1 4.27Å; V77-V96 HydrophobicContact CG1-CB 4.5Å; V77-V96 HydrophobicContact CG1-CG1 3.85Å; V77-V96 HydrophobicContact CG1-CG2 3.9Å
78P76.8Confident75.2Confident53 Ų5369.9 Ų69.934%0.34440%0.402SS..  trans-58.2155.6174.7-23.834.2000112.6A44 G80 Y81A44-P78 VanDerWaalsContact O-CD 3.29Å; A44-P78 WeakPolarHBondContact O-CD 3.39Å; P78-G80 PolarHBondContact O-N 3.42Å; P78-Y81 HydrophobicContact CB-CD2 4.13Å; P78-Y81 PolarHBondContact O-N 2.67Å; P78-Y81 VanDerWaalsContact O-N 3.09Å
79P77.3Confident75.1Confident132 Ų13272.8 Ų72.886%0.85741%0.413SS*.THydrogen-bonded Turntrans-53.5131.8173.5-2534.4000111.8
80G77.1Confident74.8Confident45 Ų4568.6 Ų68.646%0.46440%0.402SS..THydrogen-bonded Turntrans86.87.4-176.800000114.8P78 P98 Q99P78-G80 PolarHBondContact O-N 3.42Å; G80-P98 CarbonylContact O-C 3.54Å; G80-Q99 PolarHBondContact O-N 3.07Å
81Y78.1Confident74.8Confident81 Ų8169.3 Ų69.332%0.31841%0.406SS..EExtended strand (participates in β ladder)trans-121154172.2-69.2-102.5000110.1E43 V77 P78 V96 V97 P98E43-Y81 HydrophobicContact CG-CE1 4.22Å; V77-Y81 WeakPolarHBondContact CG2-O 3.39Å; P78-Y81 HydrophobicContact CB-CD2 4.13Å; P78-Y81 PolarHBondContact O-N 2.67Å; P78-Y81 VanDerWaalsContact O-N 3.09Å; Y81-V96 HydrophobicContact CD1-CG1 3.8Å; Y81-V96 HydrophobicContact CG-CG1 4.17Å; Y81-V97 CarbonylContact C-O 3.58Å; Y81-V97 WeakPolarHBondContact CA-O 3.16Å; Y81-P98 HydrophobicContact CD1-CB 4.26Å; Y81-P98 HydrophobicContact CD1-CG 4.11Å; Y81-P98 HydrophobicContact CE1-CB 4.01Å; Y81-P98 HydrophobicContact CE1-CG 3.59Å
82A80.3Confident75.1Confident35 Ų3570.5 Ų70.529%0.28940%0.401SS..EExtended strand (participates in β ladder)trans-131.9139.6174.500000110.4V97 Q99A82-V97 PolarHBondContact N-O 3.41Å; A82-V97 PolarHBondContact O-N 3.32Å; A82-Q99 HydrophobicContact CB-CB 4.47Å
83P81.4Confident75.6Confident60 Ų6071.5 Ų71.539%0.3940%0.399SS..EExtended strand (participates in β ladder)trans-77.8121.9172.231.3-30.5000109.9V77 V94V77-P83 HydrophobicContact CG1-CB 4.15Å; V77-P83 HydrophobicContact CG1-CG 4.32Å; P83-V94 HydrophobicContact CB-CG1 3.94Å
84Q79.2Confident76Confident109 Ų10970.3 Ų70.351%0.50939%0.392SS..EExtended strand (participates in β ladder)trans-102.3128.6172.7-171.4175.631.100110.2I86 V94 V95 V97Q84-I86 HydrophobicContact CG-CG1 4.34Å; Q84-V94 CarbonylContact O-C 3.57Å; Q84-V94 VanDerWaalsContact O-CA 3.31Å; Q84-V94 WeakPolarHBondContact O-CA 3.19Å; Q84-V95 PolarHBondContact N-O 2.88Å; Q84-V95 PolarHBondContact O-N 2.89Å; Q84-V97 HydrophobicContact CB-CG2 4.43Å
85V79.1Confident76.1Confident77 Ų7767.4 Ų67.447%0.46737%0.372SS..EExtended strand (participates in β ladder)trans-96.9122.7175.7-171.10000109.2V72 R92 R93 V94V72-V85 HydrophobicContact CG2-CG1 3.91Å; V72-V85 HydrophobicContact CG2-CG2 3.95Å; V85-R92 HydrophobicContact CG1-CB 4.41Å; V85-R93 CarbonylContact C-O 3.52Å; V85-R93 WeakPolarHBondContact CA-O 3.31Å; V85-V94 HydrophobicContact CG2-CG2 4.26Å
86I80.3Confident76.3Confident71 Ų7166.3 Ų66.336%0.36437%0.367SS..EExtended strand (participates in β ladder)trans-116.4119.6179.4-55.5174.6000107.8Q84 R93 V95Q84-I86 HydrophobicContact CG-CG1 4.34Å; I86-R93 HydrophobicContact CB-CB 4.41Å; I86-R93 PolarHBondContact N-O 2.96Å; I86-R93 PolarHBondContact O-N 3.15Å; I86-V95 HydrophobicContact CD1-CB 4.44Å; I86-V95 HydrophobicContact CD1-CG2 3.74Å
87E80.1Confident76.2Confident122 Ų12263.2 Ų63.257%0.5736%0.36SS*.EExtended strand (participates in β ladder)trans-96.9112.3174.4-167167.8147.300109.3V91 R92E87-V91 WeakPolarHBondContact CA-O 3.13Å; E87-R92 HydrophobicContact CB-CG 4.36Å; E87-R92 HydrophobicContact CG-CG 4.08Å; E87-R92 IonicContact OE2-CZ 3.55Å; E87-R92 IonicContact OE2-NE 2.98Å; E87-R92 PolarHBondContact OE2-NE 3.45Å; E87-R92 IonicContact OE2-NH2 3.19Å; E87-R92 PolarHBondContact OE2-NH2 2.61Å
88D70.4Confident76Confident64 Ų6464.7 Ų64.734%0.34237%0.371SS..EExtended strand (participates in β ladder)trans-126.9123.1179.5173.745.1000109.5G90 V91 R93D88-G90 PolarHBondContact O-N 2.77Å; D88-G90 VanDerWaalsContact O-N 3.17Å; D88-V91 PolarHBondContact N-O 2.85Å; D88-V91 WeakPolarHBondContact O-CA 3.32Å; D88-V91 VanDerWaalsContact O-CB 3.31Å; D88-V91 WeakPolarHBondContact O-CB 3.37Å; D88-V91 PolarHBondContact O-N 3.09Å; D88-R93 IonicContact OD2-CZ 3.93Å; D88-R93 IonicContact OD2-NH1 2.76Å; D88-R93 PolarHBondContact OD2-NH1 3.02Å
89N63.4Low75.6Confident144 Ų14466.3 Ų66.377%0.7737%0.374SS*.THydrogen-bonded Turntrans53.233.9179.9-59.9-57.1000114.7V91N89-V91 VanDerWaalsContact C-N 3.25Å; N89-V91 PolarHBondContact O-N 3.02Å
90G64.1Low75Confident48 Ų4863.5 Ų63.550%0.49536%0.361SS..THydrogen-bonded Turntrans77.96.5-175.800000114.4D88D88-G90 PolarHBondContact O-N 2.77Å; D88-G90 VanDerWaalsContact O-N 3.17Å
91V63.8Low74.1Confident18 Ų1867.2 Ų67.211%0.10938%0.377CS..EExtended strand (participates in β ladder)trans-101.8119.2173.31800000109.1P24 L36 E87 D88 N89 R93P24-V91 HydrophobicContact CG-CG2 4.4Å; L36-V91 HydrophobicContact CB-CG1 4.22Å; L36-V91 HydrophobicContact CD1-CG1 3.61Å; E87-V91 WeakPolarHBondContact CA-O 3.13Å; D88-V91 PolarHBondContact N-O 2.85Å; D88-V91 WeakPolarHBondContact O-CA 3.32Å; D88-V91 VanDerWaalsContact O-CB 3.31Å; D88-V91 WeakPolarHBondContact O-CB 3.37Å; D88-V91 PolarHBondContact O-N 3.09Å; N89-V91 VanDerWaalsContact C-N 3.25Å; N89-V91 PolarHBondContact O-N 3.02Å; V91-R93 HydrophobicContact CG1-CG 4.2Å; V91-R93 PolarHBondContact O-N 3.15Å
92R73.8Confident73.1Confident89 Ų8968.8 Ų68.834%0.33639%0.387SS..EExtended strand (participates in β ladder)trans-81.2114.5169.9-71.1177.6176.1-173.2-3.8109.2I35 L36 G70 V85 E87I35-R92 HydrophobicContact CG2-CB 4.22Å; I35-R92 VanDerWaalsContact CG2-O 3.25Å; I35-R92 WeakPolarHBondContact CG2-O 3.45Å; L36-R92 PolarHBondContact N-O 2.93Å; G70-R92 PolarHBondContact O-NH1 2.61Å; V85-R92 HydrophobicContact CG1-CB 4.41Å; E87-R92 HydrophobicContact CB-CG 4.36Å; E87-R92 HydrophobicContact CG-CG 4.08Å; E87-R92 IonicContact OE2-CZ 3.55Å; E87-R92 IonicContact OE2-NE 2.98Å; E87-R92 PolarHBondContact OE2-NE 3.45Å; E87-R92 IonicContact OE2-NH2 3.19Å; E87-R92 PolarHBondContact OE2-NH2 2.61Å
93R76.1Confident71.4Confident64 Ų6476.4 Ų76.424%0.24242%0.415CS..EExtended strand (participates in β ladder)trans-99.4138.1170.9-64.7-172.3169.1102.6-4.6109.5L36 V85 I86 D88 V91L36-R93 VanDerWaalsContact O-CA 3.26Å; L36-R93 WeakPolarHBondContact O-CA 3.46Å; V85-R93 CarbonylContact C-O 3.52Å; V85-R93 WeakPolarHBondContact CA-O 3.31Å; I86-R93 HydrophobicContact CB-CB 4.41Å; I86-R93 PolarHBondContact N-O 2.96Å; I86-R93 PolarHBondContact O-N 3.15Å; D88-R93 IonicContact OD2-CZ 3.93Å; D88-R93 IonicContact OD2-NH1 2.76Å; D88-R93 PolarHBondContact OD2-NH1 3.02Å; V91-R93 HydrophobicContact CG1-CG 4.2Å; V91-R93 PolarHBondContact O-N 3.15Å
94V77.7Confident69.5Low0 Ų078.9 Ų78.90%042%0.421CS..EExtended strand (participates in β ladder)trans-112.2126.1169.3-171.50000107.6I35 V37 Q38 V72 I75 P83 Q84 V85I35-V94 HydrophobicContact CG2-CG2 4.46Å; V37-V94 HydrophobicContact CB-CB 4.47Å; V37-V94 HydrophobicContact CG1-CB 4.04Å; V37-V94 HydrophobicContact CG2-CB 4.11Å; V37-V94 HydrophobicContact CG2-CG2 4.13Å; Q38-V94 PolarHBondContact N-O 3.06Å; V72-V94 HydrophobicContact CB-CG2 4.49Å; V72-V94 HydrophobicContact CG1-CG2 3.56Å; V72-V94 HydrophobicContact CG2-CG2 4.04Å; I75-V94 HydrophobicContact CD1-CB 3.98Å; I75-V94 HydrophobicContact CD1-CG1 3.67Å; I75-V94 HydrophobicContact CD1-CG2 3.99Å; P83-V94 HydrophobicContact CB-CG1 3.94Å; Q84-V94 CarbonylContact O-C 3.57Å; Q84-V94 VanDerWaalsContact O-CA 3.31Å; Q84-V94 WeakPolarHBondContact O-CA 3.19Å; V85-V94 HydrophobicContact CG2-CG2 4.26Å
95V79.8Confident67.9Low21 Ų2179.8 Ų79.813%0.12744%0.436CS..EExtended strand (participates in β ladder)trans-117.5130.9179-175.80000107.3Q84 I86 V97Q84-V95 PolarHBondContact N-O 2.88Å; Q84-V95 PolarHBondContact O-N 2.89Å; I86-V95 HydrophobicContact CD1-CB 4.44Å; I86-V95 HydrophobicContact CD1-CG2 3.74Å; V95-V97 HydrophobicContact CB-CG2 4.46Å; V95-V97 HydrophobicContact CG1-CG2 3.91Å
96V80.9Confident66.3Low1 Ų179.2 Ų79.21%0.00645%0.445CS..EExtended strand (participates in β ladder)trans-83.8130.3171.1-176.70000106.8E43 F45 V77 Y81E43-V96 VanDerWaalsContact CD-O 3.24Å; E43-V96 VanDerWaalsContact OE1-O 3.09Å; F45-V96 HydrophobicContact CB-CG2 3.96Å; V77-V96 HydrophobicContact CB-CG1 4.27Å; V77-V96 HydrophobicContact CG1-CB 4.5Å; V77-V96 HydrophobicContact CG1-CG1 3.85Å; V77-V96 HydrophobicContact CG1-CG2 3.9Å; Y81-V96 HydrophobicContact CD1-CG1 3.8Å; Y81-V96 HydrophobicContact CG-CG1 4.17Å
97V79.3Confident64.3Low54 Ų5479.7 Ų79.733%0.32746%0.455SS..EExtended strand (participates in β ladder)trans-130138.9-179.6-176.20000108.4Y81 A82 Q84 V95 Q99Y81-V97 CarbonylContact C-O 3.58Å; Y81-V97 WeakPolarHBondContact CA-O 3.16Å; A82-V97 PolarHBondContact N-O 3.41Å; A82-V97 PolarHBondContact O-N 3.32Å; Q84-V97 HydrophobicContact CB-CG2 4.43Å; V95-V97 HydrophobicContact CB-CG2 4.46Å; V95-V97 HydrophobicContact CG1-CG2 3.91Å; V97-Q99 PolarHBondContact O-N 3.33Å; V97-Q99 VanDerWaalsContact O-N 3.16Å
98P76.8Confident62.4Low71 Ų7182 Ų8246%0.46147%0.465SS..EExtended strand (participates in β ladder)trans-56.4120.6169.4-17.125.9000109.4G80 Y81 A100G80-P98 CarbonylContact O-C 3.54Å; Y81-P98 HydrophobicContact CD1-CB 4.26Å; Y81-P98 HydrophobicContact CD1-CG 4.11Å; Y81-P98 HydrophobicContact CE1-CB 4.01Å; Y81-P98 HydrophobicContact CE1-CG 3.59Å; P98-A100 PolarHBondContact O-N 3.42Å
99Q69.1Low60.7Low87 Ų8784.5 Ų84.541%0.40748%0.483SS..  trans-73.8115.9167.1-163.8178.210.600105.8G80 A82 V97 E102G80-Q99 PolarHBondContact O-N 3.07Å; A82-Q99 HydrophobicContact CB-CB 4.47Å; V97-Q99 PolarHBondContact O-N 3.33Å; V97-Q99 VanDerWaalsContact O-N 3.16Å; Q99-E102 VanDerWaalsContact NE2-CD 3.28Å; Q99-E102 PolarHBondContact NE2-OE1 3Å; Q99-E102 PolarHBondContact NE2-OE2 3.24Å
100A64.3Low59.7Low72 Ų7284 Ų8460%0.59549%0.485SS*.  trans-51.4144.1169.200000108P98 E102P98-A100 PolarHBondContact O-N 3.42Å; A100-E102 VanDerWaalsContact C-N 3.32Å; A100-E102 PolarHBondContact O-N 2.69Å
101P59.2Low58.5Low123 Ų12388.4 Ų88.480%0.79950%0.497SS*.  trans-56107.3169.3-14.926.6000105.9F103P101-F103 PolarHBondContact O-N 3.41Å
102E56.1Low57.4Low114 Ų11496.5 Ų96.553%0.53353%0.533SS..  trans-65.691.2170.9-74.1162.3173.600104.6Q99 A100 H104Q99-E102 VanDerWaalsContact NE2-CD 3.28Å; Q99-E102 PolarHBondContact NE2-OE1 3Å; Q99-E102 PolarHBondContact NE2-OE2 3.24Å; A100-E102 VanDerWaalsContact C-N 3.32Å; A100-E102 PolarHBondContact O-N 2.69Å; E102-H104 WeakPolarHBondContact CB-CE1 3.11Å; E102-H104 WeakPolarHBondContact CB-ND1 3.08Å; E102-H104 PolarHBondContact O-N 2.87Å; E102-H104 PolarHBondContact O-ND1 2.8Å; E102-H104 IonicContact OE2-CE1 2.93Å; E102-H104 PolarHBondContact OE2-CE1 2.84Å; E102-H104 IonicContact OE2-NE2 3.57Å; E102-H104 PolarHBondContact OE2-NE2 2.72Å
103F43.7Very low55.6Low196 Ų196103.5 Ų103.586%0.8656%0.559SS**  trans-69.179.2163.6-142.4-84.9000104.6P101 P105P101-F103 PolarHBondContact O-N 3.41Å; F103-P105 WeakPolarHBondContact O-CD 3.37Å
104H42.4Very low53.6Low111 Ų111104.2 Ų104.251%0.51457%0.574SS.*  trans-67.7110.9172.7-58.190.2000106.4E102 G106E102-H104 WeakPolarHBondContact CB-CE1 3.11Å; E102-H104 WeakPolarHBondContact CB-ND1 3.08Å; E102-H104 PolarHBondContact O-N 2.87Å; E102-H104 PolarHBondContact O-ND1 2.8Å; E102-H104 IonicContact OE2-CE1 2.93Å; E102-H104 PolarHBondContact OE2-CE1 2.84Å; E102-H104 IonicContact OE2-NE2 3.57Å; E102-H104 PolarHBondContact OE2-NE2 2.72Å; H104-G106 PolarHBondContact O-N 2.77Å
105P45.6Very low51.9Low129 Ų129110.4 Ų110.484%0.83861%0.614SS**SBendtrans-74.584.4160.232.5-24.4000105.5F103F103-P105 WeakPolarHBondContact O-CD 3.37Å
106G45.8Very low50.1Low64 Ų64117.3 Ų117.366%0.6665%0.645SS**SBendtrans80.497.4173.900000114.6H104H104-G106 PolarHBondContact O-N 2.77Å
107S38Very low48.3Very low81 Ų81122.5 Ų122.557%0.56668%0.679SS**  trans-163.1100.2145.3-81.20000109.8
108H39.8Very low46.7Very low170 Ų170125.9 Ų125.979%0.78770%0.702SS**  trans56.979.1151.1-52-72.8000118V110H108-V110 PolarHBondContact O-N 3.34Å
109T35.8Very low45.1Very low117 Ų117130.5 Ų130.572%0.71872%0.722SS**  trans-58.5104.1141.454.50000108.6L111T109-L111 PolarHBondContact O-N 3.31Å
110V41.2Very low44Very low134 Ų134132.5 Ų132.581%0.81274%0.742SS**  trans-73.975.3155.7-178.80000106.1H108 H112H108-V110 PolarHBondContact O-N 3.34Å; V110-H112 PolarHBondContact O-N 2.98Å; V110-H112 VanDerWaalsContact O-N 3.1Å
111L40Very low42.8Very low141 Ų141132.7 Ų132.774%0.73875%0.751SS**  trans-63.6108.9164.7-82.8160.9000106.4T109 R113T109-L111 PolarHBondContact O-N 3.31Å; L111-R113 VanDerWaalsContact C-N 3.32Å; L111-R113 PolarHBondContact O-N 3.46Å
112H41.3Very low41.9Very low187 Ų187136.3 Ų136.387%0.86675%0.754SS**  trans-56.796167.8-144.6-92.7000107.7V110 S114V110-H112 PolarHBondContact O-N 2.98Å; V110-H112 VanDerWaalsContact O-N 3.1Å; H112-S114 PolarHBondContact O-N 2.78Å
113R35.8Very low41.2Very low237 Ų237138.5 Ų138.589%0.89477%0.768SS**  trans-73.1122.2-176.7-163.9-179.8-168.6-143.73109.1L111L111-R113 VanDerWaalsContact C-N 3.32Å; L111-R113 PolarHBondContact O-N 3.46Å
114S32.6Very low41.2Very low79 Ų79134.3 Ų134.355%0.55276%0.761SS**  trans-56.8146.8170.2-42.10000111.3H112 H116H112-S114 PolarHBondContact O-N 2.78Å; S114-H116 PolarHBondContact O-N 3.16Å
115P43Very low41.2Very low130 Ų130135.3 Ų135.384%0.84477%0.774SS**  trans-79.2109.4-175.930.9-30.3000110.2
116H41.3Very low41.2Very low165 Ų165134.3 Ų134.376%0.76477%0.768SS**  trans-117.8147.4167.7-72.9-73.3000110S114S114-H116 PolarHBondContact O-N 3.16Å
117P44.2Very low41.4Very low110 Ų110137.6 Ų137.671%0.71478%0.775SS**  trans-75.1162.6-156.832.5-35.8000113
118P45.3Very low42.1Very low125 Ų125141.7 Ų141.781%0.81279%0.787SS**  trans-80.2138.3-173.633.2-31.7000111.1
119L43.5Very low42.5Very low169 Ų169141.9 Ų141.989%0.88579%0.791SS**  trans-107142.3158.8-70.8178.6000109.3
120P45.7Very low43.4Very low129 Ų129141.6 Ų141.684%0.83879%0.791SS**  trans-88.7140.8-175.635.2-31.2000111.1
121G37.7Very low43.7Very low75 Ų75140.9 Ų140.977%0.77379%0.789SS**  trans167.690.6171.200000114.1
122F41Very low44.3Very low199 Ų199139.6 Ų139.687%0.87379%0.789SS**  trans-55.5145.6170.7-74.3-104.2000113.2
123I42.3Very low44.7Very low161 Ų161136 Ų13683%0.82678%0.782SS**  -156.4124.5115.7-57.7-160.1000108.8
124P43.2Very low45.5Very low108 Ų108136.7 Ų136.770%0.70179%0.785SS**PPolyproline II helixtrans-85133.1168.831.8-27.8000111.4
125V42.4Very low45.8Very low132 Ų132141 Ų14180%0.880%0.796SS**PPolyproline II helixtrans-79.8135172-176.10000108.8
126P45.6Very low45.8Very low108 Ų108143.3 Ų143.370%0.70180%0.798SS**PPolyproline II helixtrans-76.4133.7-173.827.9-32000113.3
127T50.2Low45.6Very low133 Ų133146.6 Ų146.682%0.81681%0.805SS**PPolyproline II helixtrans-60.1125.2168.6-53.20000111.3
128M53.2Low45.3Very low167 Ų167146.6 Ų146.682%0.82381%0.808SS**PPolyproline II helixtrans-72.3131.7168.7-75-74.2101.700110.8
129M47.4Very low45.7Very low174 Ų174146.1 Ų146.186%0.85780%0.804SS**PPolyproline II helixtrans-62.9150-174.5-72.8175.867.200114.2
130P53.7Low45.5Very low110 Ų110145 Ų14571%0.71480%0.804SS**PPolyproline II helixtrans-77.5152.4164.332.1-31.6000111.9
131P49.4Very low45.1Very low120 Ų120145.5 Ų145.578%0.77981%0.805SS**PPolyproline II helixtrans-73149.8177.929.6-33.3000112.3
132P51.9Low45Very low114 Ų114145.2 Ų145.274%0.7480%0.802SS**PPolyproline II helixtrans-80.3157.8-177.932.6-33.6000112.9
133P49.2Very low44.6Very low111 Ų111141.1 Ų141.172%0.72181%0.805SS**PPolyproline II helixtrans-76.1137.9-176.330.8-32.7000111.7
134R52.6Low44.3Very low251 Ų251136.8 Ų136.895%0.94780%0.8SS**PPolyproline II helixtrans-84.4124.1171.9-68.2-127.3-164179.66.4110.4
135H39.5Very low44.1Very low171 Ų171138.2 Ų138.279%0.79280%0.802SS**PPolyproline II helixtrans-72.6144.7178.1-70.5-94.1000112.6
136M43Very low44Very low177 Ų177138.9 Ų138.987%0.87280%0.798SS**PPolyproline II helixtrans-68.6138.7174.2-65.3-166.1167.300112.8
137Y36.6Very low43.4Very low235 Ų235139.6 Ų139.692%0.92280%0.801SS**  trans-147140.3143.6-78.9-75.3000110.1
138S37Very low43.1Very low110 Ų110140.1 Ų140.177%0.76980%0.804SS**  trans-113.2-174-178.4-166.20000109.5
139P53.7Low42.3Very low114 Ų114140.5 Ų140.574%0.7480%0.804SS**  -102.4159.3-97.835.2-19000112.9
140V39.3Very low41.6Very low146 Ų146142.8 Ų142.889%0.88580%0.804SS**  trans-148.9133153.9102.70000113.1
141T38.4Very low40.6Very low140 Ų140145.9 Ų145.986%0.85981%0.811SS**  trans-55144.5177.4-48.20000114.5
142G35.5Very low39.9Very low69 Ų69145.4 Ų145.471%0.71181%0.808SS**  trans152.895.3152.700000118
143A33Very low39Very low112 Ų112147.5 Ų147.593%0.92681%0.808SS**  trans49.4133.3137.200000123.5
144G35.2Very low38.3Very low71 Ų71153.2 Ų153.273%0.73282%0.817SS**  trans109.895155.600000113.9
145D38.3Very low37.3Very low138 Ų138149.6 Ų149.674%0.73881%0.811SS**  59111.5101.1-159.226.9000111.1
146M40.4Very low37Very low145 Ų145146.6 Ų146.671%0.71481%0.809SS**  -178.2142.159.437.5-163.461.300110.7
147T34.3Very low36.5Very low124 Ų124144.1 Ų144.176%0.76181%0.809SS**  trans37120149.678.50000121.5
148T42.4Very low36.6Very low144 Ų144141.2 Ų141.288%0.88380%0.804SS**  -156.8107.1120.5-63.10000108.5
149Q37Very low36.6Very low175 Ų175142.3 Ų142.382%0.81881%0.806SS**  trans-83.4121.5170-72.2-84.1-2.500108.3
150Y32.6Very low35.7Very low222 Ų222146.7 Ų146.787%0.87181%0.809SS**  trans-171.8106.1137.8-127.7-98.3000109.5
151M32.6Very low35.5Very low174 Ų174143.1 Ų143.186%0.85780%0.801SS**  trans-112.1134.8165.3-70.7-171.377.300108.7
152P35.8Very low35.7Very low111 Ų111141.8 Ų141.872%0.72179%0.789SS**  trans-97.2100.5157.68.810.9000110
153Q33.5Very low36.1Very low158 Ų158145.3 Ų145.374%0.73880%0.796SS**  3899.7125.3-153.4152.1-3900118.9
154Y33.3Very low36.4Very low231 Ų231146.9 Ų146.991%0.90679%0.789SS**  trans-126.7120.7144.1-86.2-86.9000108.5
155Q31.9Very low36.6Very low175 Ų175146.8 Ų146.882%0.81878%0.782SS**  trans-77.4119.8178.2-70.6174.2-31.300109.8
156S32.7Very low36.7Very low107 Ų107148.4 Ų148.475%0.74879%0.785SS**  trans-96.3124.6162.259.70000109Q158S156-Q158 PolarHBondContact O-N 3.09Å
157S33.3Very low37Very low126 Ų126147.6 Ų147.688%0.88179%0.793SS**  trans-77.8115.7174-59.70000111
158Q37.9Very low37.4Very low173 Ų173147.2 Ų147.281%0.80879%0.791SS**  trans-79.1127163.7-72.4-173.6-2300108.6S156S156-Q158 PolarHBondContact O-N 3.09Å
159V37.5Very low37.2Very low133 Ų133149.1 Ų149.181%0.80679%0.789SS**  73.8119.384.2178.20000114.7
160Y35.1Very low37.3Very low207 Ų207144 Ų14481%0.81278%0.784SS**  trans89.4129.5149.4-141.2-98.2000121.8D162Y160-D162 HydrophobicContact CE1-CB 4.38Å
161G34.8Very low37.9Very low70 Ų70144 Ų14472%0.72278%0.782SS**  trans171.979.5168.900000111.8
162D42.2Very low38.2Very low112 Ų112140.9 Ų140.960%0.59978%0.777SS**  trans-73.9130.6169.4176.727.1000110.8Y160Y160-D162 HydrophobicContact CE1-CB 4.38Å
163V43.8Very low39Very low143 Ų143142.6 Ų142.687%0.86778%0.781SS**  trans-155.8106.4157.9-1120000109.5
164D39Very low39.9Very low145 Ų145143.5 Ų143.578%0.77578%0.782SS**  trans-54163.7167.5-96.8-54.1000115
165A40.3Very low41Very low70 Ų70141.9 Ų141.958%0.57977%0.774SS**  trans88.598.7167.200000117
166H41.1Very low42.6Very low172 Ų172137 Ų13780%0.79675%0.754SS**  -176.597.2103.3-76-45.2000110.5T168H166-T168 PolarHBondContact O-N 2.72Å
167S47Very low44.5Very low128 Ų128138.7 Ų138.790%0.89575%0.75SS**  trans-70.9110.3149.2175.80000107.8
168T40.9Very low46.2Very low115 Ų115142.4 Ų142.471%0.70675%0.745SS**  trans-146.189.1165.8110000109.8H166H166-T168 PolarHBondContact O-N 2.72Å
169H39.8Very low47.8Very low185 Ų185137 Ų13786%0.85673%0.726SS**  44.699123.6-148.3-69.9000117.2
170G38.6Very low49.8Very low68 Ų68132.1 Ų132.170%0.70170%0.698SS**  trans-162.248.3170.800000113.1S172G170-S172 PolarHBondContact O-N 2.92Å
171R44.1Very low52Low222 Ų222128.6 Ų128.684%0.83869%0.687SS**  trans-56.298.9158.8-81.8-170.2149.5-155.4-6.3107.1N173R171-N173 VanDerWaalsContact C-N 3.25Å; R171-N173 PolarHBondContact O-N 3.24Å; R171-N173 PolarHBondContact O-ND2 2.83Å
172S40.8Very low54.1Low107 Ų107129 Ų12975%0.74868%0.675SS**  trans-62.495.7167.7173.60000106.7G170 F174G170-S172 PolarHBondContact O-N 2.92Å; S172-F174 PolarHBondContact O-N 3.49Å
173N52Low56.1Low148 Ų148130.8 Ų130.879%0.79167%0.674SS**  trans-72.561.5165.8-66.6-64.5000108.2R171 R175R171-N173 VanDerWaalsContact C-N 3.25Å; R171-N173 PolarHBondContact O-N 3.24Å; R171-N173 PolarHBondContact O-ND2 2.83Å; N173-R175 PolarHBondContact O-N 3.33Å
174F51.2Low58.2Low177 Ų177130.6 Ų130.678%0.77666%0.664SS**  trans-79.176155.8-154.7-95.5000106.4S172 D176S172-F174 PolarHBondContact O-N 3.49Å; F174-D176 VanDerWaalsContact C-N 3.29Å; F174-D176 PolarHBondContact O-N 3.15Å
175R58Low60.4Low196 Ų196133.4 Ų133.474%0.7466%0.664SS**  trans-59.7100.1168.4174.6-174.1-77.2-112.54.4105.4N173 E177 S180N173-R175 PolarHBondContact O-N 3.33Å; R175-E177 PolarHBondContact O-N 3.25Å; R175-S180 WeakPolarHBondContact CG-OG 3.33Å
176D64.9Low62.7Low72 Ų72134.7 Ų134.739%0.38566%0.661SS.*  trans-58.8112.3176165.951.2000108.2F174 R178 S179 S180F174-D176 VanDerWaalsContact C-N 3.29Å; F174-D176 PolarHBondContact O-N 3.15Å; D176-R178 PolarHBondContact O-N 3.05Å; D176-R178 WeakPolarHBondContact OD1-CB 3.5Å; D176-R178 PolarHBondContact OD1-N 3.19Å; D176-S179 VanDerWaalsContact CB-OG 3.26Å; D176-S179 WeakPolarHBondContact CB-OG 3.21Å; D176-S179 PolarHBondContact O-N 2.85Å; D176-S179 PolarHBondContact O-OG 3.1Å; D176-S179 WeakPolarHBondContact OD2-CA 3.29Å; D176-S179 WeakPolarHBondContact OD2-CB 3.34Å; D176-S179 PolarHBondContact OD2-N 3.35Å; D176-S179 PolarHBondContact OD2-OG 3.13Å; D176-S180 PolarHBondContact O-N 2.74Å; D176-S180 PolarHBondContact O-OG 2.92Å
177E72.1Confident64.7Low143 Ų143130.5 Ų130.567%0.66864%0.641SS**Hα-helixtrans-61.2-26.2-177.2-78.6-143.993.900111.2R175 K181R175-E177 PolarHBondContact O-N 3.25Å; E177-K181 WeakPolarHBondContact O-CG 3.12Å; E177-K181 PolarHBondContact O-N 2.86Å
178R69.9Low66.6Low205 Ų205131.9 Ų131.977%0.77463%0.631SS**Hα-helixtrans-72.7-44.3179.5-156.4179.4-167.7128.20.3112D176 T182D176-R178 PolarHBondContact O-N 3.05Å; D176-R178 WeakPolarHBondContact OD1-CB 3.5Å; D176-R178 PolarHBondContact OD1-N 3.19Å; R178-T182 PolarHBondContact O-N 2.92Å; R178-T182 PolarHBondContact O-OG1 2.8Å
179S71.1Confident68.7Low59 Ų59133.2 Ų133.241%0.41363%0.627SS.*Hα-helixtrans-69.7-35.5174.252.70000112.1D176 K181 T182 Y183D176-S179 VanDerWaalsContact CB-OG 3.26Å; D176-S179 WeakPolarHBondContact CB-OG 3.21Å; D176-S179 PolarHBondContact O-N 2.85Å; D176-S179 PolarHBondContact O-OG 3.1Å; D176-S179 WeakPolarHBondContact OD2-CA 3.29Å; D176-S179 WeakPolarHBondContact OD2-CB 3.34Å; D176-S179 PolarHBondContact OD2-N 3.35Å; D176-S179 PolarHBondContact OD2-OG 3.13Å; S179-K181 PolarHBondContact O-N 3.33Å; S179-T182 PolarHBondContact O-N 2.89Å; S179-Y183 WeakPolarHBondContact O-CB 3.27Å; S179-Y183 PolarHBondContact O-N 2.9Å
180S79.9Confident70.6Confident30 Ų30128.3 Ų128.321%0.2161%0.607CS.*Hα-helixtrans-61-46.8176.6-620000112.2R175 D176 T182 Y183 E184R175-S180 WeakPolarHBondContact CG-OG 3.33Å; D176-S180 PolarHBondContact O-N 2.74Å; D176-S180 PolarHBondContact O-OG 2.92Å; S180-T182 VanDerWaalsContact C-N 3.3Å; S180-T182 PolarHBondContact O-N 3.01Å; S180-Y183 PolarHBondContact O-N 3.29Å; S180-E184 WeakPolarHBondContact O-CB 3.38Å; S180-E184 PolarHBondContact O-N 3.08Å
181K79.9Confident72.6Confident134 Ų134132.4 Ų132.458%0.58361%0.606SS**Hα-helixtrans-63.2-36175.7-73.1175.2-179172.30112.6E177 S179 R185E177-K181 WeakPolarHBondContact O-CG 3.12Å; E177-K181 PolarHBondContact O-N 2.86Å; S179-K181 PolarHBondContact O-N 3.33Å; K181-R185 WeakPolarHBondContact O-CB 3.47Å; K181-R185 PolarHBondContact O-N 3.26Å
182T79.5Confident73.9Confident78 Ų78127.9 Ų127.948%0.47960%0.598SS.*Hα-helixtrans-68.9-46.6177.4-53.80000110.9R178 S179 S180 E184 R185 L186R178-T182 PolarHBondContact O-N 2.92Å; R178-T182 PolarHBondContact O-OG1 2.8Å; S179-T182 PolarHBondContact O-N 2.89Å; S180-T182 VanDerWaalsContact C-N 3.3Å; S180-T182 PolarHBondContact O-N 3.01Å; T182-E184 VanDerWaalsContact C-N 3.33Å; T182-E184 PolarHBondContact O-N 2.98Å; T182-R185 PolarHBondContact O-N 2.8Å; T182-L186 HydrophobicContact CG2-CD1 4.14Å; T182-L186 WeakPolarHBondContact O-CB 3.09Å; T182-L186 VanDerWaalsContact O-CG 3.25Å; T182-L186 WeakPolarHBondContact O-CG 3.04Å; T182-L186 PolarHBondContact O-N 3.05Å
183Y83.4Confident75Confident149 Ų149132.5 Ų132.558%0.58460%0.599SS**Hα-helixtrans-60-42.7175.4-179.9-101.5000111.7S179 S180 L186 Q187S179-Y183 WeakPolarHBondContact O-CB 3.27Å; S179-Y183 PolarHBondContact O-N 2.9Å; S180-Y183 PolarHBondContact O-N 3.29Å; Y183-L186 PolarHBondContact O-N 2.81Å; Y183-Q187 HydrophobicContact CD1-CG 4.12Å; Y183-Q187 HydrophobicContact CE1-CG 3.76Å; Y183-Q187 HydrophobicContact CE2-CG 4.17Å; Y183-Q187 HydrophobicContact CG-CG 4.49Å; Y183-Q187 WeakPolarHBondContact O-CB 3.34Å; Y183-Q187 VanDerWaalsContact O-CG 3.31Å; Y183-Q187 WeakPolarHBondContact O-CG 3.42Å; Y183-Q187 PolarHBondContact O-N 2.87Å; Y183-Q187 PolarHBondContact OH-NE2 2.87Å
184E88.1Confident75.4Confident140 Ų140132.7 Ų132.765%0.65460%0.595SS**Hα-helixtrans-67-39.7178.7-153.2174-148.600112.2S180 T182 Q187 K188S180-E184 WeakPolarHBondContact O-CB 3.38Å; S180-E184 PolarHBondContact O-N 3.08Å; T182-E184 VanDerWaalsContact C-N 3.33Å; T182-E184 PolarHBondContact O-N 2.98Å; E184-Q187 PolarHBondContact O-N 3.44Å; E184-K188 WeakPolarHBondContact O-CB 3.31Å; E184-K188 PolarHBondContact O-N 3.05Å
185R86.2Confident75.6Confident203 Ų203127.1 Ų127.177%0.76659%0.588SS**Hα-helixtrans-63.8-41.9172.6-173.3-178.5-177.4115.3-1.2111.9K181 T182 K189K181-R185 WeakPolarHBondContact O-CB 3.47Å; K181-R185 PolarHBondContact O-N 3.26Å; T182-R185 PolarHBondContact O-N 2.8Å; R185-K189 WeakPolarHBondContact O-CB 3.48Å; R185-K189 PolarHBondContact O-N 2.95Å
186L87.9Confident75.4Confident98 Ų98123.6 Ų123.651%0.51359%0.588SS.*Hα-helixtrans-66-44.6176.9-71.4170000111.3T182 Y183 K189 L190T182-L186 HydrophobicContact CG2-CD1 4.14Å; T182-L186 WeakPolarHBondContact O-CB 3.09Å; T182-L186 VanDerWaalsContact O-CG 3.25Å; T182-L186 WeakPolarHBondContact O-CG 3.04Å; T182-L186 PolarHBondContact O-N 3.05Å; Y183-L186 PolarHBondContact O-N 2.81Å; L186-K189 PolarHBondContact O-N 3.26Å; L186-L190 WeakPolarHBondContact O-CG 3.31Å; L186-L190 PolarHBondContact O-N 3.38Å
187Q84Confident74.6Confident83 Ų83128.4 Ų128.439%0.38861%0.608SS.*Hα-helixtrans-62.2-43175.7-78-70.86.400112Y183 E184 K189 L190 K191Y183-Q187 HydrophobicContact CD1-CG 4.12Å; Y183-Q187 HydrophobicContact CE1-CG 3.76Å; Y183-Q187 HydrophobicContact CE2-CG 4.17Å; Y183-Q187 HydrophobicContact CG-CG 4.49Å; Y183-Q187 WeakPolarHBondContact O-CB 3.34Å; Y183-Q187 VanDerWaalsContact O-CG 3.31Å; Y183-Q187 WeakPolarHBondContact O-CG 3.42Å; Y183-Q187 PolarHBondContact O-N 2.87Å; Y183-Q187 PolarHBondContact OH-NE2 2.87Å; E184-Q187 PolarHBondContact O-N 3.44Å; Q187-K189 VanDerWaalsContact C-N 3.32Å; Q187-K189 PolarHBondContact O-N 2.91Å; Q187-L190 PolarHBondContact O-N 2.75Å; Q187-K191 WeakPolarHBondContact O-CB 3.41Å; Q187-K191 PolarHBondContact O-N 2.82Å
188K86.9Confident73.6Confident158 Ų158130.7 Ų130.769%0.68762%0.616SS**Hα-helixtrans-59.1-44.2173.2-175.9176.4178179.40111.2E184 K191 D192E184-K188 WeakPolarHBondContact O-CB 3.31Å; E184-K188 PolarHBondContact O-N 3.05Å; K188-K191 PolarHBondContact O-N 2.87Å; K188-D192 VanDerWaalsContact O-CB 3.29Å; K188-D192 WeakPolarHBondContact O-CB 3.48Å; K188-D192 PolarHBondContact O-N 3.01Å
189K84.9Confident72.6Confident142 Ų142127.4 Ų127.462%0.61761%0.614SS**Hα-helixtrans-67.7-32.3179.4-165.4179.8168-166.20112.7R185 L186 Q187 R193R185-K189 WeakPolarHBondContact O-CB 3.48Å; R185-K189 PolarHBondContact O-N 2.95Å; L186-K189 PolarHBondContact O-N 3.26Å; Q187-K189 VanDerWaalsContact C-N 3.32Å; Q187-K189 PolarHBondContact O-N 2.91Å; K189-R193 WeakPolarHBondContact O-CG 3.35Å; K189-R193 PolarHBondContact O-N 2.78Å
190L78.8Confident71.4Confident82 Ų82134.3 Ų134.343%0.42964%0.636SS.*Hα-helixtrans-73-41.4173-73.6176.8000112.2L186 Q187 R193 Q194L186-L190 WeakPolarHBondContact O-CG 3.31Å; L186-L190 PolarHBondContact O-N 3.38Å; Q187-L190 PolarHBondContact O-N 2.75Å; L190-R193 PolarHBondContact O-N 3.49Å; L190-Q194 PolarHBondContact O-N 2.85Å
191K80.9Confident70.1Confident155 Ų155141.6 Ų141.667%0.67467%0.669SS**Hα-helixtrans-67.9-36.5177.9-162.7176.977-162.50112.1Q187 K188 R193 Q194 G195Q187-K191 WeakPolarHBondContact O-CB 3.41Å; Q187-K191 PolarHBondContact O-N 2.82Å; K188-K191 PolarHBondContact O-N 2.87Å; K191-R193 VanDerWaalsContact C-N 3.27Å; K191-R193 PolarHBondContact O-N 3.36Å; K191-Q194 CarbonylContact O-C 3.58Å; K191-Q194 PolarHBondContact O-N 2.82Å; K191-Q194 VanDerWaalsContact O-N 3.08Å; K191-G195 PolarHBondContact O-N 2.89Å
192D71.4Confident68.5Low126 Ų126140.6 Ų140.667%0.67468%0.679SS**Hα-helixtrans-60.9-36.6173.8-16771.4000111.8K188 Q194K188-D192 VanDerWaalsContact O-CB 3.29Å; K188-D192 WeakPolarHBondContact O-CB 3.48Å; K188-D192 PolarHBondContact O-N 3.01Å; D192-Q194 VanDerWaalsContact C-N 3.34Å; D192-Q194 PolarHBondContact O-N 3.47Å
193R63Low66.6Low205 Ų205142.2 Ų142.277%0.77469%0.693SS**Hα-helixtrans-74.1-20.6173.5-67179.980.2-141.73.4114.2K189 L190 K191K189-R193 WeakPolarHBondContact O-CG 3.35Å; K189-R193 PolarHBondContact O-N 2.78Å; L190-R193 PolarHBondContact O-N 3.49Å; K191-R193 VanDerWaalsContact C-N 3.27Å; K191-R193 PolarHBondContact O-N 3.36Å
194Q61Low65Low152 Ų152140.5 Ų140.571%0.7170%0.701SS**Hα-helixtrans-100-5179.2-71.5173.248.600113.1L190 K191 D192 T196L190-Q194 PolarHBondContact O-N 2.85Å; K191-Q194 CarbonylContact O-C 3.58Å; K191-Q194 PolarHBondContact O-N 2.82Å; K191-Q194 VanDerWaalsContact O-N 3.08Å; D192-Q194 VanDerWaalsContact C-N 3.34Å; D192-Q194 PolarHBondContact O-N 3.47Å; Q194-T196 VanDerWaalsContact C-N 3.27Å; Q194-T196 PolarHBondContact O-N 2.77Å
195G55.7Low63.2Low60 Ų60140 Ų14062%0.61971%0.71SS**SBendtrans-74.2-5.8-173.800000116K191K191-G195 PolarHBondContact O-N 2.89Å
196T54.4Low61.2Low122 Ų122136.2 Ų136.275%0.74871%0.714SS**SBendtrans-143.478.6-176.1-31.40000111.1Q194Q194-T196 VanDerWaalsContact C-N 3.27Å; Q194-T196 PolarHBondContact O-N 2.77Å
197Q48.3Very low59.3Low173 Ų173136.3 Ų136.381%0.80872%0.723SS**  trans16698.5142.2-96.6-170.9-54.400108.5
198K50.5Low57.5Low191 Ų191138 Ų13883%0.8374%0.742SS**  trans-76144.7144.2-82.2-172.9173.9-176.60107
199D49.6Very low55.3Low136 Ų136139.2 Ų139.273%0.72775%0.749SS**SBendtrans94114.2171.3-49.4-40.7000116.2
200K44.5Very low53Low204 Ų204141.7 Ų141.789%0.88776%0.76SS**  trans95.666.8172.4-47-154.6-178.7-163.10116.2
201M52.5Low50.8Low182 Ų182143.2 Ų143.290%0.89778%0.777SS**  trans-59.7148.2149.557.5112.374.500111.1
202S47.4Very low48.8Very low114 Ų114141.9 Ų141.980%0.79778%0.783SS**  trans100.165.3179-154.60000116.3
203S38.5Very low47.1Very low111 Ų111140.7 Ų140.778%0.77679%0.785SS**  trans-159.7140.3145.6-50.70000108.9
204P49.7Very low46Very low114 Ų114136.8 Ų136.874%0.7479%0.787SS**PPolyproline II helixtrans-67.5152.6167.229.6-31.5000110S206P204-S206 PolarHBondContact O-N 2.72Å
205P51.3Low44.9Very low129 Ų129136.9 Ų136.984%0.83879%0.79SS**PPolyproline II helixtrans-64.7135.8175.926.7-32.6000110.6S207P205-S207 PolarHBondContact O-N 3.26Å
206S44.6Very low44.1Very low123 Ų123141.3 Ų141.386%0.8680%0.8SS**PPolyproline II helixtrans-63131.3173.2-65.10000111P204P204-S206 PolarHBondContact O-N 2.72Å
207S46.3Very low43.4Very low100 Ų100144 Ų14470%0.69980%0.804SS**PPolyproline II helixtrans-53138174.7-174.70000111.7P205 Q209P205-S207 PolarHBondContact O-N 3.26Å; S207-Q209 PolarHBondContact O-N 2.97Å
208P46.8Very low42.7Very low120 Ų120143.7 Ų143.778%0.77980%0.802SS**  trans-66.3105.8172.326.7-30.4000108.9K210P208-K210 PolarHBondContact O-N 2.74Å
209Q41.6Very low42.2Very low182 Ų182142 Ų14285%0.8580%0.802SS**  trans-64.5125.9169.7-73.5-157.4-11.800110S207S207-Q209 PolarHBondContact O-N 2.97Å
210K37.2Very low41.6Very low194 Ų194138.3 Ų138.384%0.84380%0.796SS**  trans39.191.4156.6-68.2-178.3177-1760115.5P208P208-K210 PolarHBondContact O-N 2.74Å
211C30.7Very low41.4Very low115 Ų115136.4 Ų136.478%0.77780%0.795SS**PPolyproline II helixtrans-63131.2147.9-60.60000108.3S213C211-S213 PolarHBondContact O-N 3.31Å
212P40.3Very low40.9Very low126 Ų126136 Ų13682%0.81879%0.794SS**PPolyproline II helixtrans-67.7117.7164.126.9-28.8000107.8
213S35.5Very low40.4Very low101 Ų101139.9 Ų139.971%0.70680%0.797SS**PPolyproline II helixtrans-57.5148.7170.6-60.40000110.3C211 I215C211-S213 PolarHBondContact O-N 3.31Å; S213-I215 PolarHBondContact O-N 3.32Å
214P39.8Very low40.2Very low124 Ų124137.8 Ų137.881%0.80579%0.792SS**PPolyproline II helixtrans-60.9131169.726.8-31.3000108.6N216P214-N216 PolarHBondContact O-N 2.76Å
215I38.3Very low39.5Very low153 Ų153141.8 Ų141.879%0.78580%0.801SS**PPolyproline II helixtrans-54.1120.9176-79.9164.1000108.4S213 E217S213-I215 PolarHBondContact O-N 3.32Å; I215-E217 PolarHBondContact O-N 2.89Å
216N37.4Very low38.8Very low154 Ų154143.4 Ų143.482%0.82480%0.801SS**  trans-64.8111.3164.1-159.641.8000106.1P214 H218P214-N216 PolarHBondContact O-N 2.76Å; N216-H218 PolarHBondContact O-N 3.44Å
217E39.8Very low38.2Very low177 Ų177142 Ų14283%0.82780%0.797SS**  trans-64.296.8178.8-58-179.1165.700108I215 N219I215-E217 PolarHBondContact O-N 2.89Å; E217-N219 PolarHBondContact O-N 3.19Å; E217-N219 VanDerWaalsContact O-N 3.15Å
218H35.4Very low37.5Very low168 Ų168141 Ų14178%0.77880%0.803SS**  trans-64110.3167.8176.249.6000107.5N216 G220N216-H218 PolarHBondContact O-N 3.44Å; H218-G220 PolarHBondContact O-N 2.81Å
219N38.7Very low36.6Very low155 Ų155138.5 Ų138.583%0.82980%0.799SS**SBendtrans-56.7122.5166.2-100.9-17000109.2E217E217-N219 PolarHBondContact O-N 3.19Å; E217-N219 VanDerWaalsContact O-N 3.15Å
220G37.9Very low36.2Very low58 Ų58136.8 Ų136.860%0.59879%0.794SS**  trans109.678.4159.900000115.9H218H218-G220 PolarHBondContact O-N 2.81Å
221L39.7Very low35.8Very low164 Ų164135 Ų13586%0.85979%0.794SS**  trans-15294.1140.4-165.162.3000110.3K223L221-K223 PolarHBondContact O-N 2.75Å
222I42.7Very low35.9Very low173 Ų173135.9 Ų135.989%0.88780%0.795SS**  trans-73.9105.2166.3-56.7170.7000106.6
223K35.8Very low35.4Very low197 Ų197133 Ų13386%0.85779%0.789SS**  trans-133.8106.4153.5-161.7168.2-175.4175.90107.7L221L221-K223 PolarHBondContact O-N 2.75Å
224G35.5Very low35.1Very low66 Ų66134 Ų13468%0.6880%0.796SS**  trans-65153.9-171.300000113.7
225Q35.1Very low34.8Very low199 Ų199132.8 Ų132.893%0.9380%0.797SS**  trans-155.2129.6134.9-127.8169.53.500110.9
226I34.8Very low34.6Very low163 Ų163135.6 Ų135.684%0.83680%0.803SS**  trans-72.1150.6175-68.4-70.7000110.2
227A33Very low34.7Very low92 Ų92136.2 Ų136.276%0.7681%0.805SS**  trans79.5124155.400000118.4
228G31Very low34.4Very low80 Ų80137 Ų13783%0.82581%0.805SS**  trans-76176.4170.200000113.6
229G28.8Very low34.1Very low68 Ų68134.7 Ų134.770%0.70181%0.808SS**  trans128.9113.1154.200000115.6
230I32.3Very low33.7Very low145 Ų145131.1 Ų131.174%0.74481%0.807SS**  trans78.787.9138.6-48.1170.2000116.5T232I230-T232 PolarHBondContact O-N 3.35Å
231N29.8Very low33.7Very low158 Ų158138.1 Ų138.185%0.84582%0.821SS**  trans-31.9110.2137.927.1-13.9000115.6
232T32.2Very low33.3Very low132 Ų132133.8 Ų133.881%0.8182%0.816SS**  trans-157117.5148.650.20000105.4I230I230-T232 PolarHBondContact O-N 3.35Å
233G29.6Very low33.4Very low67 Ų67135.8 Ų135.869%0.69182%0.819SS**  122.3125.669.200000108.5
234S30.5Very low33.2Very low122 Ų122129.8 Ų129.885%0.85381%0.812SS**  trans53.8119.2157.161.40000121.2
235A32.4Very low33.4Very low98 Ų98130.4 Ų130.481%0.8182%0.819SS**  -177.9120.7109.500000111.1
236K34.1Very low33.4Very low212 Ų212126.6 Ų126.692%0.92281%0.81SS**  trans-76.9128.7166.5-68.8174.9176.2174.60108.5
237I38.7Very low34Very low167 Ų167128.4 Ų128.486%0.85681%0.814SS**  trans-127.1134.1152.9-64-172.5000109.1
238K33.5Very low34.2Very low193 Ų193129.3 Ų129.384%0.83981%0.81SS**  trans-81.2150.4-172.4-72.5173.1171.71740112.2
239S29.3Very low34.4Very low120 Ų120131.2 Ų131.284%0.83980%0.802SS**  trans60.7116.1131.4-174.60000119.6
240G30.4Very low34.9Very low79 Ų79133.8 Ų133.881%0.81480%0.804SS**  trans-158.489.7157.100000111.3G242G240-G242 PolarHBondContact O-N 3Å
241K38Very low35.2Very low205 Ų205135 Ų13589%0.89181%0.806SS**  trans-76.6109.6172.8179.5167177.4173.90108.9
242G32.6Very low36.1Very low73 Ų73133.8 Ų133.875%0.75380%0.798SS**  trans-126.9104.2170.900000110.3G240G240-G242 PolarHBondContact O-N 3Å
243K44Very low36.8Very low216 Ų216135.2 Ų135.294%0.93980%0.796SS**  trans-75.1119162-94.1-178.1169.2-175.50107
244G30.6Very low37.9Very low70 Ų70140.7 Ų140.772%0.72280%0.804SS**  trans-15899.2167.800000107.6T246G244-T246 PolarHBondContact O-N 3.19Å
245G40.5Very low39.1Very low80 Ų80138.9 Ų138.983%0.82578%0.78SS**  trans-68.2122.2170.400000108.6
246T36.3Very low41.4Very low119 Ų119138.5 Ų138.573%0.7377%0.765SS**  trans-147110.5151.9-50.10000105.4G244 V248G244-T246 PolarHBondContact O-N 3.19Å; T246-V248 PolarHBondContact O-N 2.98Å; T246-V248 VanDerWaalsContact O-N 3.13Å
247Q47.3Very low43.5Very low200 Ų200134.3 Ų134.394%0.93575%0.749SS**  trans-41.1109.4162.4-177.7-178.9-0.200109
248V36.4Very low45.3Very low111 Ų111133.6 Ų133.667%0.67374%0.742SS**  trans-129.8128.4171.6173.60000106.7T246T246-V248 PolarHBondContact O-N 2.98Å; T246-V248 VanDerWaalsContact O-N 3.13Å
249D34.4Very low47.6Very low120 Ų120127.6 Ų127.664%0.64272%0.721SS**  trans53.197.9164.9-73.1-20.6000117.8E251D249-E251 HydrophobicContact CB-CG 3.84Å; D249-E251 PolarHBondContact O-N 2.86Å
250T40.9Very low50.1Low122 Ų122126.9 Ų126.975%0.74870%0.703SS**  -51.289.7119.9-47.70000107.1I252T250-I252 HydrophobicContact CG2-CD1 4.35Å; T250-I252 HydrophobicContact CG2-CG1 3.63Å; T250-I252 PolarHBondContact O-N 2.61Å
251E37.1Very low52.5Low171 Ų171125.7 Ų125.780%0.79969%0.686SS**  trans-62.781.5159-74.7-176.7151.900105D249 E253D249-E251 HydrophobicContact CB-CG 3.84Å; D249-E251 PolarHBondContact O-N 2.86Å; E251-E253 PolarHBondContact O-N 2.92Å
252I48.3Very low54.5Low132 Ų132121 Ų12168%0.67767%0.666SS**  trans-64.797.7148.9-58.3178.7000101.4T250 E254T250-I252 HydrophobicContact CG2-CD1 4.35Å; T250-I252 HydrophobicContact CG2-CG1 3.63Å; T250-I252 PolarHBondContact O-N 2.61Å; I252-E254 PolarHBondContact O-N 3.19Å
253E48.3Very low57Low163 Ų163122.6 Ų122.676%0.76265%0.653SS**  trans-52.385.6161-173.6-179.1147.400105.7E251 K255E251-E253 PolarHBondContact O-N 2.92Å; E253-K255 PolarHBondContact O-N 2.92Å
254E51.4Low58.8Low182 Ų182113.8 Ų113.885%0.8562%0.621SS**  trans-66.481.9167.5-117.2-173.8171.100104I252 D256I252-E254 PolarHBondContact O-N 3.19Å; E254-D256 PolarHBondContact O-N 2.85Å
255K57.1Low61.4Low83 Ų83111.3 Ų111.336%0.36159%0.591SS.*  trans-58.9115.4174-167.5173.8-178.1171.20105.3E253 E257 T259 E263E253-K255 PolarHBondContact O-N 2.92Å; K255-E257 PolarHBondContact O-N 3.17Å; K255-T259 HydrophobicContact CD-CG2 4.5Å; K255-T259 HydrophobicContact CG-CG2 4.17Å; K255-E263 VanDerWaalsContact NZ-CD 3.3Å; K255-E263 IonicContact NZ-OE1 2.61Å; K255-E263 IonicContact NZ-OE2 3.29Å; K255-E263 PolarHBondContact NZ-OE2 3.19Å
256D79.1Confident63.4Low90 Ų90111.2 Ų111.248%0.48157%0.571SS.*  trans-41127.7178.8163.961.4000110.3E254 E258 T259 K260E254-D256 PolarHBondContact O-N 2.85Å; D256-E258 PolarHBondContact O-N 3.17Å; D256-E258 VanDerWaalsContact O-N 3.14Å; D256-E258 WeakPolarHBondContact OD2-CB 3.34Å; D256-T259 WeakPolarHBondContact O-CA 3.07Å; D256-T259 VanDerWaalsContact O-CB 3.29Å; D256-T259 WeakPolarHBondContact O-CB 3.46Å; D256-T259 PolarHBondContact O-N 2.87Å; D256-T259 PolarHBondContact OD2-N 3.24Å; D256-T259 PolarHBondContact OD2-OG1 3.45Å; D256-K260 PolarHBondContact O-N 3.5Å
257E79.6Confident65.6Low125 Ų125109.8 Ų109.858%0.58457%0.566SS**Hα-helixtrans-60.7-28.7-168.8-171.366.7-15900110.9K255 K260 A261K255-E257 PolarHBondContact O-N 3.17Å; E257-K260 PolarHBondContact O-N 2.77Å; E257-K260 IonicContact OE1-NZ 3.45Å; E257-K260 PolarHBondContact OE1-NZ 2.84Å; E257-K260 IonicContact OE2-NZ 3.15Å; E257-K260 PolarHBondContact OE2-NZ 3.35Å; E257-K260 VanDerWaalsContact OE2-NZ 3.15Å; E257-A261 WeakPolarHBondContact O-CB 3.4Å; E257-A261 PolarHBondContact O-N 2.8Å
258E76.6Confident67.3Low152 Ų152104 Ų10471%0.7154%0.541SS*.Hα-helixtrans-65.9-46.1171-176.1-172.3159.900111.6D256 K260 A261 F262D256-E258 PolarHBondContact O-N 3.17Å; D256-E258 VanDerWaalsContact O-N 3.14Å; D256-E258 WeakPolarHBondContact OD2-CB 3.34Å; E258-K260 VanDerWaalsContact C-N 3.27Å; E258-K260 PolarHBondContact O-N 2.95Å; E258-A261 PolarHBondContact O-N 2.75Å; E258-F262 WeakPolarHBondContact O-CB 3.26Å; E258-F262 PolarHBondContact O-N 2.89Å
259T81.5Confident69.7Low66 Ų66102.9 Ų102.941%0.40553%0.531SS..Hα-helixtrans-60.5-38.1175.4-54.20000111.9K255 D256 E263K255-T259 HydrophobicContact CD-CG2 4.5Å; K255-T259 HydrophobicContact CG-CG2 4.17Å; D256-T259 WeakPolarHBondContact O-CA 3.07Å; D256-T259 VanDerWaalsContact O-CB 3.29Å; D256-T259 WeakPolarHBondContact O-CB 3.46Å; D256-T259 PolarHBondContact O-N 2.87Å; D256-T259 PolarHBondContact OD2-N 3.24Å; D256-T259 PolarHBondContact OD2-OG1 3.45Å; T259-E263 WeakPolarHBondContact O-CB 3.34Å; T259-E263 PolarHBondContact O-N 2.9Å
260K82.5Confident72.3Confident105 Ų105101.3 Ų101.346%0.45753%0.525SS..Hα-helixtrans-71.4-40.7177-178.6-179161.1-1480112.2D256 E257 E258 F262 E263 A264D256-K260 PolarHBondContact O-N 3.5Å; E257-K260 PolarHBondContact O-N 2.77Å; E257-K260 IonicContact OE1-NZ 3.45Å; E257-K260 PolarHBondContact OE1-NZ 2.84Å; E257-K260 IonicContact OE2-NZ 3.15Å; E257-K260 PolarHBondContact OE2-NZ 3.35Å; E257-K260 VanDerWaalsContact OE2-NZ 3.15Å; E258-K260 VanDerWaalsContact C-N 3.27Å; E258-K260 PolarHBondContact O-N 2.95Å; K260-F262 VanDerWaalsContact C-N 3.33Å; K260-E263 PolarHBondContact O-N 3.46Å; K260-A264 WeakPolarHBondContact O-CB 3.48Å; K260-A264 PolarHBondContact O-N 3.21Å
261A80.5Confident74.7Confident55 Ų55104.1 Ų104.146%0.45553%0.527SS..Hα-helixtrans-63.1-40.7173.500000111.4E257 E258 A264 L265E257-A261 WeakPolarHBondContact O-CB 3.4Å; E257-A261 PolarHBondContact O-N 2.8Å; E258-A261 PolarHBondContact O-N 2.75Å; A261-A264 PolarHBondContact O-N 3.43Å; A261-L265 WeakPolarHBondContact O-CB 3.4Å; A261-L265 PolarHBondContact O-N 3.02Å
262F80.4Confident77.3Confident107 Ų10799.1 Ų99.147%0.46951%0.509SS..Hα-helixtrans-66.2-41.6176.3-169.8-108.4000112.3E258 K260 L265 L266E258-F262 WeakPolarHBondContact O-CB 3.26Å; E258-F262 PolarHBondContact O-N 2.89Å; K260-F262 VanDerWaalsContact C-N 3.33Å; F262-L265 HydrophobicContact CD2-CD2 4.46Å; F262-L265 WeakPolarHBondContact O-CB 3.41Å; F262-L265 PolarHBondContact O-N 3.01Å; F262-L266 HydrophobicContact CD1-CD1 3.83Å; F262-L266 HydrophobicContact CD1-CG 4.23Å; F262-L266 HydrophobicContact CE1-CD1 3.37Å; F262-L266 HydrophobicContact CE1-CD2 4.43Å; F262-L266 HydrophobicContact CE1-CG 3.95Å; F262-L266 HydrophobicContact CZ-CD1 3.88Å; F262-L266 HydrophobicContact CZ-CD2 4.12Å; F262-L266 HydrophobicContact CZ-CG 4.1Å; F262-L266 WeakPolarHBondContact O-CG 3.25Å; F262-L266 PolarHBondContact O-N 3.22Å
263E83.4Confident79.6Confident105 Ų10597 Ų9749%0.49150%0.502SS..Hα-helixtrans-61.3-44.5173.1-178.8177.9-152.100111.8K255 T259 K260 L265 L266 S267K255-E263 VanDerWaalsContact NZ-CD 3.3Å; K255-E263 IonicContact NZ-OE1 2.61Å; K255-E263 IonicContact NZ-OE2 3.29Å; K255-E263 PolarHBondContact NZ-OE2 3.19Å; T259-E263 WeakPolarHBondContact O-CB 3.34Å; T259-E263 PolarHBondContact O-N 2.9Å; K260-E263 PolarHBondContact O-N 3.46Å; E263-L265 VanDerWaalsContact C-N 3.31Å; E263-L265 PolarHBondContact O-N 3.31Å; E263-L266 PolarHBondContact O-N 3.27Å; E263-S267 WeakPolarHBondContact O-CB 3.17Å; E263-S267 PolarHBondContact O-N 3.49Å
264A83.2Confident81.8Confident31 Ų3192 Ų9226%0.25649%0.489SS..Hα-helixtrans-60.7-42.1175.800000111.5K260 A261 S267 N268 I293K260-A264 WeakPolarHBondContact O-CB 3.48Å; K260-A264 PolarHBondContact O-N 3.21Å; A261-A264 PolarHBondContact O-N 3.43Å; A264-S267 PolarHBondContact O-N 3.01Å; A264-S267 PolarHBondContact O-OG 2.91Å; A264-N268 PolarHBondContact O-N 3.35Å; A264-N268 PolarHBondContact O-ND2 3.32Å; A264-I293 HydrophobicContact CB-CD1 4.42Å
265L83.8Confident84Confident19 Ų1985.7 Ų85.710%0.09947%0.465CS..Hα-helixtrans-61.8-47.6176-177.764000112.1A261 F262 E263 S267 N268 P289 P303 Y306A261-L265 WeakPolarHBondContact O-CB 3.4Å; A261-L265 PolarHBondContact O-N 3.02Å; F262-L265 HydrophobicContact CD2-CD2 4.46Å; F262-L265 WeakPolarHBondContact O-CB 3.41Å; F262-L265 PolarHBondContact O-N 3.01Å; E263-L265 VanDerWaalsContact C-N 3.31Å; E263-L265 PolarHBondContact O-N 3.31Å; L265-S267 VanDerWaalsContact C-N 3.29Å; L265-S267 PolarHBondContact O-N 3.4Å; L265-N268 PolarHBondContact O-N 2.84Å; L265-P289 HydrophobicContact CD1-CB 3.72Å; L265-P289 HydrophobicContact CG-CB 3.88Å; L265-P303 HydrophobicContact CD2-CG 4.5Å; L265-Y306 WeakPolarHBondContact CD2-OH 3.41Å
266L84.2Confident85.8Confident78 Ų7886.3 Ų86.341%0.40847%0.472SS..Hα-helixtrans-67.3-29.8177.8-68-175.1000112.7F262 E263 N268 I269F262-L266 HydrophobicContact CD1-CD1 3.83Å; F262-L266 HydrophobicContact CD1-CG 4.23Å; F262-L266 HydrophobicContact CE1-CD1 3.37Å; F262-L266 HydrophobicContact CE1-CD2 4.43Å; F262-L266 HydrophobicContact CE1-CG 3.95Å; F262-L266 HydrophobicContact CZ-CD1 3.88Å; F262-L266 HydrophobicContact CZ-CD2 4.12Å; F262-L266 HydrophobicContact CZ-CG 4.1Å; F262-L266 WeakPolarHBondContact O-CG 3.25Å; F262-L266 PolarHBondContact O-N 3.22Å; E263-L266 PolarHBondContact O-N 3.27Å; L266-N268 PolarHBondContact O-N 3.45Å; L266-I269 HydrophobicContact CB-CD1 4.35Å; L266-I269 HydrophobicContact CD2-CD1 3.58Å; L266-I269 WeakPolarHBondContact O-CB 3.31Å; L266-I269 WeakPolarHBondContact O-CG1 3.45Å; L266-I269 PolarHBondContact O-N 2.93Å; L266-I269 VanDerWaalsContact O-N 3.17Å
267S81.9Confident86.5Confident88 Ų8888.3 Ų88.362%0.61548%0.481SS*.Hα-helixtrans-66.2-23.9176.879.60000113E263 A264 L265 I269E263-S267 WeakPolarHBondContact O-CB 3.17Å; E263-S267 PolarHBondContact O-N 3.49Å; A264-S267 PolarHBondContact O-N 3.01Å; A264-S267 PolarHBondContact O-OG 2.91Å; L265-S267 VanDerWaalsContact C-N 3.29Å; L265-S267 PolarHBondContact O-N 3.4Å; S267-I269 VanDerWaalsContact C-N 3.28Å; S267-I269 PolarHBondContact O-N 3.19Å
268N83.1Confident87.3Confident78 Ų7887.7 Ų87.742%0.41748%0.478SS..THydrogen-bonded Turntrans-84.12.3176.8-69.1-34.9000113.5A264 L265 L266 V270 S290A264-N268 PolarHBondContact O-N 3.35Å; A264-N268 PolarHBondContact O-ND2 3.32Å; L265-N268 PolarHBondContact O-N 2.84Å; L266-N268 PolarHBondContact O-N 3.45Å; N268-V270 PolarHBondContact O-N 2.88Å; N268-S290 PolarHBondContact ND2-O 2.99Å
269I87.4Confident88.1Confident89 Ų8985.5 Ų85.546%0.45649%0.487SS..PPolyproline II helixtrans-68.8118.9177.7-66.1174.2000109.7L266 S267 P289L266-I269 HydrophobicContact CB-CD1 4.35Å; L266-I269 HydrophobicContact CD2-CD1 3.58Å; L266-I269 WeakPolarHBondContact O-CB 3.31Å; L266-I269 WeakPolarHBondContact O-CG1 3.45Å; L266-I269 PolarHBondContact O-N 2.93Å; L266-I269 VanDerWaalsContact O-N 3.17Å; S267-I269 VanDerWaalsContact C-N 3.28Å; S267-I269 PolarHBondContact O-N 3.19Å; I269-P289 HydrophobicContact CD1-CG 4.02Å; I269-P289 HydrophobicContact CG1-CB 3.95Å; I269-P289 HydrophobicContact CG1-CG 3.79Å
270V88.4Confident88.6Confident87 Ų8793.9 Ų93.953%0.52751%0.511SS..PPolyproline II helixtrans-80.1142.1175.8-176.60000109.7N268N268-V270 PolarHBondContact O-N 2.88Å
271K90.6Very high89.2Confident181 Ų18192.4 Ų92.479%0.78751%0.511SS*.PPolyproline II helixtrans-57.4130.3174.4-175.2-179.6176.9-179.60110.1
272P93Very high89.8Confident65 Ų6593.5 Ų93.542%0.42251%0.512SS..PPolyproline II helixtrans-63.1146.2176.527.7-35.8000110.9L284 T285 W286P272-L284 HydrophobicContact CB-CD1 4Å; P272-L284 HydrophobicContact CB-CG 4.43Å; P272-T285 CarbonylContact C-O 3.6Å; P272-T285 WeakPolarHBondContact CA-O 3.08Å; P272-W286 HydrophobicContact CB-CB 4.07Å
273V95.4Very high90.5Very high87 Ų8791.6 Ų91.653%0.52751%0.508SS..EExtended strand (participates in β ladder)trans-104.6127.2-178.3179.90000109.3L284 T285V273-L284 WeakPolarHBondContact O-CA 3.39Å; V273-T285 PolarHBondContact N-O 2.8Å; V273-T285 PolarHBondContact O-N 2.89Å
274A94.9Very high91.1Very high58 Ų5890 Ų9048%0.47950%0.503SS..EExtended strand (participates in β ladder)trans-94.3123.7168.800000109.4V282 V283 L284A274-V282 HydrophobicContact CB-CG2 3.9Å; A274-V283 CarbonylContact C-O 3.56Å; A274-V283 WeakPolarHBondContact CA-O 3.48Å; A274-L284 HydrophobicContact CB-CD1 4.43Å
275S96.6Very high91.6Very high50 Ų5092.2 Ų92.235%0.3551%0.513SS..EExtended strand (participates in β ladder)trans-133.3172.7179.763.10000110.9I277 V283S275-I277 PolarHBondContact O-N 3.43Å; S275-V283 PolarHBondContact N-O 3.02Å; S275-V283 PolarHBondContact O-N 2.72Å
276D94.8Very high92Very high96 Ų9695.6 Ų95.651%0.51353%0.525SS..SBendtrans46.854.3-179.2-171.731.6000113.1Q278 V283D276-Q278 PolarHBondContact O-N 3.47Å; D276-Q278 PolarHBondContact OD1-NE2 3Å; D276-Q278 VanDerWaalsContact OD1-NE2 3.11Å; D276-Q278 PolarHBondContact OD2-NE2 3.01Å; D276-V283 HydrophobicContact CB-CB 4.34Å; D276-V283 HydrophobicContact CB-CG2 3.93Å
277I95.6Very high92.2Very high133 Ų13394.7 Ų94.768%0.68253%0.525SS*.  trans-77.4117.3-178.6-58172.8000108.9S275 V282S275-I277 PolarHBondContact O-N 3.43Å; I277-V282 HydrophobicContact CG1-CG2 3.98Å
278Q95.7Very high92.3Very high111 Ų11194 Ų9452%0.51952%0.518SS..  trans-120.1179.4174.8-51.7179.420.600110.2D276 R280 T281D276-Q278 PolarHBondContact O-N 3.47Å; D276-Q278 PolarHBondContact OD1-NE2 3Å; D276-Q278 VanDerWaalsContact OD1-NE2 3.11Å; D276-Q278 PolarHBondContact OD2-NE2 3.01Å; Q278-R280 PolarHBondContact O-N 3.43Å; Q278-T281 WeakPolarHBondContact CB-OG1 3.38Å; Q278-T281 PolarHBondContact N-O 3.15Å; Q278-T281 PolarHBondContact OE1-OG1 3.42Å
279A94.3Very high92.2Very high107 Ų10791 Ų9188%0.88450%0.503SS*.SBendtrans-58.2-25.1-178.400000114
280R92.1Very high91.3Very high241 Ų24189.8 Ų89.891%0.90950%0.502SS*.SBendtrans-137.9-0.6-175.8-64.8-175.5178.3-89.9-0.9114.9Q278Q278-R280 PolarHBondContact O-N 3.43Å
281T93.3Very high89.8Confident74 Ų7488.6 Ų88.645%0.45450%0.498SS..  trans-137.1151.6-174.657.10000110.5Q278Q278-T281 WeakPolarHBondContact CB-OG1 3.38Å; Q278-T281 PolarHBondContact N-O 3.15Å; Q278-T281 PolarHBondContact OE1-OG1 3.42Å
282V94.3Very high88Confident79 Ų7986.7 Ų86.748%0.47950%0.496SS..  trans-148.2141.8172.759.70000107.7A274 I277A274-V282 HydrophobicContact CB-CG2 3.9Å; I277-V282 HydrophobicContact CG1-CG2 3.98Å
283V95.6Very high86Confident66 Ų6689.3 Ų89.340%0.451%0.505SS..EExtended strand (participates in β ladder)trans-96.9121.4172.6175.80000108.2A274 S275 D276A274-V283 CarbonylContact C-O 3.56Å; A274-V283 WeakPolarHBondContact CA-O 3.48Å; S275-V283 PolarHBondContact N-O 3.02Å; S275-V283 PolarHBondContact O-N 2.72Å; D276-V283 HydrophobicContact CB-CB 4.34Å; D276-V283 HydrophobicContact CB-CG2 3.93Å
284L95.3Very high83.6Confident71 Ų7192.8 Ų92.837%0.37252%0.521SS..EExtended strand (participates in β ladder)trans-105.6122.9176.2-170.367.6000108.9P272 V273 A274 W286 V310P272-L284 HydrophobicContact CB-CD1 4Å; P272-L284 HydrophobicContact CB-CG 4.43Å; V273-L284 WeakPolarHBondContact O-CA 3.39Å; A274-L284 HydrophobicContact CB-CD1 4.43Å; L284-W286 HydrophobicContact CB-CE3 4.49Å; L284-W286 HydrophobicContact CB-CZ3 4.03Å; L284-W286 HydrophobicContact CD2-CE3 4.15Å; L284-W286 HydrophobicContact CD2-CZ3 3.73Å; L284-W286 HydrophobicContact CG-CE3 3.87Å; L284-W286 HydrophobicContact CG-CZ3 3.71Å; L284-W286 WeakPolarHBondContact O-CZ3 3.5Å; L284-V310 HydrophobicContact CD2-CG1 3.91Å; L284-V310 HydrophobicContact CD2-CG2 4.35Å
285T94.2Very high81.3Confident78 Ų7893.4 Ų93.448%0.47953%0.533SS..EExtended strand (participates in β ladder)trans-124.4137.2-177.5-52.70000110.6P272 V273P272-T285 CarbonylContact C-O 3.6Å; P272-T285 WeakPolarHBondContact CA-O 3.08Å; V273-T285 PolarHBondContact N-O 2.8Å; V273-T285 PolarHBondContact O-N 2.89Å
286W92.3Very high78.8Confident91 Ų9199.3 Ų99.335%0.34556%0.555SS.*  trans-146.7162175.858.792.4000111.5P272 L284 Y308 V310P272-W286 HydrophobicContact CB-CB 4.07Å; L284-W286 HydrophobicContact CB-CE3 4.49Å; L284-W286 HydrophobicContact CB-CZ3 4.03Å; L284-W286 HydrophobicContact CD2-CE3 4.15Å; L284-W286 HydrophobicContact CD2-CZ3 3.73Å; L284-W286 HydrophobicContact CG-CE3 3.87Å; L284-W286 HydrophobicContact CG-CZ3 3.71Å; L284-W286 WeakPolarHBondContact O-CZ3 3.5Å; W286-Y308 AromaticContact CD1-CE1 3.76Å; W286-Y308 HydrophobicContact CZ2-CD2 4.45Å; W286-Y308 HydrophobicContact CZ2-CG 4.09Å; W286-Y308 AromaticContact NE1-CD1 3.39Å; W286-Y308 AromaticContact NE1-CD2 3.71Å; W286-Y308 AromaticContact NE1-CE1 3.44Å; W286-Y308 AromaticContact NE1-CE2 3.75Å; W286-Y308 AromaticContact NE1-CG 3.53Å; W286-Y308 AromaticContact NE1-CZ 3.63Å; W286-V310 HydrophobicContact CH2-CG2 3.97Å; W286-V310 HydrophobicContact CZ3-CG2 4.42Å
287S87.7Confident76.5Confident58 Ų58100.5 Ų100.541%0.40657%0.566SS.*  trans-109146.1173.455.90000110.4
288P83.6Confident74.2Confident74 Ų7499.6 Ų99.648%0.48156%0.563SS.*PPolyproline II helixtrans-63.2155.3173.627.6-34.1000111.5S290 Y306 Y308P288-S290 PolarHBondContact O-N 2.91Å; P288-Y306 HydrophobicContact CB-CD2 4.26Å; P288-Y306 HydrophobicContact CB-CE2 4.38Å; P288-Y308 WeakPolarHBondContact CA-OH 3.48Å
289P80.6Confident72Confident15 Ų15102.9 Ų102.910%0.09758%0.578CS.*PPolyproline II helixtrans-55.5133.8171.4-13.322.9000110.3L265 I269 Y306L265-P289 HydrophobicContact CD1-CB 3.72Å; L265-P289 HydrophobicContact CG-CB 3.88Å; I269-P289 HydrophobicContact CD1-CG 4.02Å; I269-P289 HydrophobicContact CG1-CB 3.95Å; I269-P289 HydrophobicContact CG1-CG 3.79Å; P289-Y306 HydrophobicContact CG-CD1 4.41Å; P289-Y306 HydrophobicContact CG-CE1 3.92Å; P289-Y306 HydrophobicContact CG-CE2 4.16Å
290S68.6Low69.6Low63 Ų63102.9 Ų102.944%0.44157%0.571SS.*PPolyproline II helixtrans-96.5126.7179.5-62.30000110.8N268 P288 L292N268-S290 PolarHBondContact ND2-O 2.99Å; P288-S290 PolarHBondContact O-N 2.91Å; S290-L292 PolarHBondContact O-N 3.31Å
291S58Low67.6Low62 Ų6295.3 Ų95.343%0.43456%0.555SS.*  trans-86.235.2177.257.30000113.3I293S291-I293 PolarHBondContact O-N 2.93Å
292L52.9Low65.6Low142 Ų14295.5 Ų95.574%0.74356%0.556SS**  trans-74.675.4176.2-84.8165.2000110.3S290S290-L292 PolarHBondContact O-N 3.31Å
293I50.3Low63.7Low119 Ų11994.5 Ų94.561%0.6155%0.551SS**SBendtrans-99.3112.7160.7-149.998.6000106.6A264 S291 G295A264-I293 HydrophobicContact CB-CD1 4.42Å; S291-I293 PolarHBondContact O-N 2.93Å; I293-G295 PolarHBondContact O-N 2.83Å
294N44.8Very low61.7Low160 Ų160100.1 Ų100.186%0.85657%0.573SS**THydrogen-bonded Turntrans60.330.9163.1-75.65.2000121E296N294-E296 PolarHBondContact O-N 3.46Å
295G46.2Very low60.3Low72 Ų72104.2 Ų104.274%0.74260%0.595SS**THydrogen-bonded Turntrans66.75.3157.800000116.8I293I293-G295 PolarHBondContact O-N 2.83Å
296E44.8Very low59.3Low174 Ų174103.6 Ų103.681%0.81358%0.584SS**  trans-105.5104.4165.6-160.2172.1172.900106.3N294 D298N294-E296 PolarHBondContact O-N 3.46Å; E296-D298 PolarHBondContact O-N 2.88Å
297T47.2Very low58.9Low121 Ų121102.8 Ų102.874%0.74260%0.604SS**  trans-69.984.6174.5-54.30000107.8E299T297-E299 VanDerWaalsContact C-N 3.3Å; T297-E299 HydrophobicContact CG2-CG 4Å; T297-E299 PolarHBondContact O-N 2.9Å; T297-E299 VanDerWaalsContact O-N 3.11Å
298D45.8Very low58.9Low114 Ų114103.6 Ų103.661%0.6160%0.598SS**  trans-76.792.7162.4-157-2.4000106.7E296 S300E296-D298 PolarHBondContact O-N 2.88Å; D298-S300 PolarHBondContact O-N 3.37Å
299E49.8Very low59.3Low180 Ų180105.6 Ų105.684%0.84160%0.601SS**THydrogen-bonded Turntrans-55.4-4.8177.4-89.6-152.211800113.3T297T297-E299 VanDerWaalsContact C-N 3.3Å; T297-E299 HydrophobicContact CG2-CG 4Å; T297-E299 PolarHBondContact O-N 2.9Å; T297-E299 VanDerWaalsContact O-N 3.11Å
300S44.3Very low59.9Low107 Ų107106.1 Ų106.175%0.74860%0.604SS**THydrogen-bonded Turntrans-93.70.1-173.7-168.30000115.8D298D298-S300 PolarHBondContact O-N 3.37Å
301S49.5Very low61.1Low82 Ų82107.4 Ų107.457%0.57361%0.605SS**  trans-121.96.6-172.967.10000116.2P303S301-P303 VanDerWaalsContact O-CD 3.31Å; S301-P303 WeakPolarHBondContact O-CD 3.26Å
302V51.3Low62.7Low77 Ų77108.7 Ų108.747%0.46761%0.607SS.*SBendtrans-75.3119.5171.3-172.90000107.8E304V302-E304 PolarHBondContact O-N 2.91Å; V302-E304 VanDerWaalsContact O-N 3.12Å
303P54.3Low64.6Low58 Ų58103.4 Ų103.438%0.37758%0.582SS.*  trans-54.6123.1174.4-2232.3000109.4L265 S301 L305 Y306L265-P303 HydrophobicContact CD2-CG 4.5Å; S301-P303 VanDerWaalsContact O-CD 3.31Å; S301-P303 WeakPolarHBondContact O-CD 3.26Å; P303-L305 PolarHBondContact O-N 3.29Å; P303-Y306 HydrophobicContact CB-CE1 4.45Å; P303-Y306 HydrophobicContact CG-CE1 4.37Å
304E55.1Low66.4Low185 Ų185103.5 Ų103.586%0.86459%0.593SS**SBendtrans-63.7-16.5-159-158.5167.9176.100114.6V302V302-E304 PolarHBondContact O-N 2.91Å; V302-E304 VanDerWaalsContact O-N 3.12Å
305L64.1Low68.4Low157 Ų15799.6 Ų99.682%0.82258%0.575SS**  trans-154.3122.4169.1-83.5104.2000111.4P303P303-L305 PolarHBondContact O-N 3.29Å
306Y74.4Confident70.1Confident65 Ų6599.1 Ų99.126%0.25557%0.57SS.*  trans-81.5121.4163.1-62.4-69.5000109.6L265 P288 P289 P303L265-Y306 WeakPolarHBondContact CD2-OH 3.41Å; P288-Y306 HydrophobicContact CB-CD2 4.26Å; P288-Y306 HydrophobicContact CB-CE2 4.38Å; P289-Y306 HydrophobicContact CG-CD1 4.41Å; P289-Y306 HydrophobicContact CG-CE1 3.92Å; P289-Y306 HydrophobicContact CG-CE2 4.16Å; P303-Y306 HydrophobicContact CB-CE1 4.45Å; P303-Y306 HydrophobicContact CG-CE1 4.37Å
307G83.3Confident71.7Confident73 Ų73100.3 Ų100.375%0.75357%0.573SS**  trans-82.5135.2164.500000110
308Y87.3Confident73.3Confident76 Ų7697.8 Ų97.830%0.29856%0.555SS.*  trans-117.8119.2178-62.2-77000109.7W286 P288 Y325W286-Y308 AromaticContact CD1-CE1 3.76Å; W286-Y308 HydrophobicContact CZ2-CD2 4.45Å; W286-Y308 HydrophobicContact CZ2-CG 4.09Å; W286-Y308 AromaticContact NE1-CD1 3.39Å; W286-Y308 AromaticContact NE1-CD2 3.71Å; W286-Y308 AromaticContact NE1-CE1 3.44Å; W286-Y308 AromaticContact NE1-CE2 3.75Å; W286-Y308 AromaticContact NE1-CG 3.53Å; W286-Y308 AromaticContact NE1-CZ 3.63Å; P288-Y308 WeakPolarHBondContact CA-OH 3.48Å; Y308-Y325 WeakPolarHBondContact O-CD1 3.4Å
309E93.1Very high75.3Confident115 Ų11595 Ų9554%0.53755%0.552SS.*  trans-102.4130.8168.6-175.1176.7-159.300109.9L311 S323 Y325 V326E309-L311 HydrophobicContact CG-CD1 4.48Å; E309-L311 HydrophobicContact CG-CG 4.28Å; E309-S323 WeakPolarHBondContact OE1-CB 3.31Å; E309-S323 PolarHBondContact OE1-OG 3.27Å; E309-Y325 CarbonylContact C-O 3.58Å; E309-Y325 VanDerWaalsContact CA-O 3.31Å; E309-Y325 WeakPolarHBondContact CA-O 3.29Å; E309-V326 HydrophobicContact CG-CG2 4.31Å
310V92.9Very high77.3Confident27 Ų2793.2 Ų93.216%0.16454%0.542CS..EExtended strand (participates in β ladder)trans-108.9128.1175.3-175.10000110L284 W286 S323 V324 Y325L284-V310 HydrophobicContact CD2-CG1 3.91Å; L284-V310 HydrophobicContact CD2-CG2 4.35Å; W286-V310 HydrophobicContact CH2-CG2 3.97Å; W286-V310 HydrophobicContact CZ3-CG2 4.42Å; V310-S323 WeakPolarHBondContact O-CA 3.34Å; V310-V324 HydrophobicContact CB-CG2 3.92Å; V310-V324 HydrophobicContact CG1-CG2 3.74Å; V310-V324 WeakPolarHBondContact O-CG2 3.37Å; V310-V324 PolarHBondContact O-N 3.42Å; V310-Y325 HydrophobicContact CG2-CD1 4.31Å; V310-Y325 HydrophobicContact CG2-CG 4.49Å; V310-Y325 PolarHBondContact N-O 3.4Å
311L93.3Very high79.6Confident89 Ų8994.9 Ų94.947%0.46653%0.533SS..EExtended strand (participates in β ladder)trans-121.4128.3-174.6-73.9151.4000109.5E309 Y321 K322E309-L311 HydrophobicContact CG-CD1 4.48Å; E309-L311 HydrophobicContact CG-CG 4.28Å; L311-Y321 HydrophobicContact CB-CD1 4.38Å; L311-Y321 HydrophobicContact CB-CG 4.4Å; L311-K322 CarbonylContact C-O 3.6Å; L311-K322 WeakPolarHBondContact CA-O 3.11Å
312I91.9Very high81.7Confident90 Ų9098.9 Ų98.946%0.46254%0.54SS..EExtended strand (participates in β ladder)trans-115.7132.6-179-62.1-174.5000110.9Y321 K322 V324I312-Y321 CarbonylContact O-C 3.57Å; I312-Y321 WeakPolarHBondContact O-CA 3.38Å; I312-K322 PolarHBondContact N-O 3.45Å; I312-K322 PolarHBondContact O-N 2.85Å; I312-V324 HydrophobicContact CB-CG1 4.27Å; I312-V324 HydrophobicContact CD1-CB 4.31Å; I312-V324 HydrophobicContact CD1-CG1 3.9Å; I312-V324 HydrophobicContact CD1-CG2 3.67Å; I312-V324 HydrophobicContact CG1-CG1 4.04Å; I312-V324 HydrophobicContact CG1-CG2 3.72Å
313S92.2Very high83.6Confident31 Ų3198 Ų9822%0.21754%0.537CS..  trans-111.1125.9167.5-173.60000110.2G316 K320S313-G316 PolarHBondContact OG-N 3.08Å; S313-G316 VanDerWaalsContact OG-N 3.09Å; S313-K320 WeakPolarHBondContact CB-O 3.25Å; S313-K320 PolarHBondContact OG-O 3.28Å
314S87.8Confident85.3Confident121 Ų12199.3 Ų99.385%0.84654%0.544SS*.SBendtrans-78.3-22.4176.252.90000113.3
315T87.6Confident86.8Confident77 Ų7797.1 Ų97.147%0.47253%0.529SS..SBendtrans-108.4-28-17036.80000112.6K317 D318T315-K317 WeakPolarHBondContact O-CG 3.46Å; T315-K317 PolarHBondContact O-N 2.95Å; T315-D318 PolarHBondContact OG1-OD1 3.2Å
316G81.1Confident87.4Confident63 Ų6396.3 Ų96.365%0.64953%0.53SS*.SBendtrans637.2176.100000115.8S313S313-G316 PolarHBondContact OG-N 3.08Å; S313-G316 VanDerWaalsContact OG-N 3.09Å
317K79.4Confident88Confident199 Ų19997.9 Ų97.987%0.86554%0.544SS*.SBendtrans-124.8-20.1-169.8-70.9178.5-178.2179.60114.6T315T315-K317 WeakPolarHBondContact O-CG 3.46Å; T315-K317 PolarHBondContact O-N 2.95Å
318D81.4Confident88.3Confident67 Ų6799.2 Ų99.236%0.35853%0.533SS..SBendtrans-111.88-17262-28.4000113.5T315 K320T315-D318 PolarHBondContact OG1-OD1 3.2Å; D318-K320 HydrophobicContact CB-CG 4.32Å; D318-K320 PolarHBondContact O-N 2.81Å; D318-K320 WeakPolarHBondContact OD2-CD 3.47Å; D318-K320 WeakPolarHBondContact OD2-CE 3.39Å; D318-K320 VanDerWaalsContact OD2-CG 3.32Å; D318-K320 WeakPolarHBondContact OD2-CG 3.33Å; D318-K320 IonicContact OD2-NZ 3.08Å; D318-K320 PolarHBondContact OD2-NZ 3.5Å
319G86.9Confident88.3Confident55 Ų55100.5 Ų100.557%0.56755%0.546SS*.  trans6312.6-179.400000113.7Y321G319-Y321 WeakPolarHBondContact O-CD2 3.37Å; G319-Y321 VanDerWaalsContact O-CE2 3.31Å; G319-Y321 WeakPolarHBondContact O-CE2 3.23Å
320K91.4Very high88Confident143 Ų14399.6 Ų99.662%0.62255%0.547SS*.  trans-89.8121.8179.3-62.4-171.7-158137.30109.7S313 D318S313-K320 WeakPolarHBondContact CB-O 3.25Å; S313-K320 PolarHBondContact OG-O 3.28Å; D318-K320 HydrophobicContact CB-CG 4.32Å; D318-K320 PolarHBondContact O-N 2.81Å; D318-K320 WeakPolarHBondContact OD2-CD 3.47Å; D318-K320 WeakPolarHBondContact OD2-CE 3.39Å; D318-K320 VanDerWaalsContact OD2-CG 3.32Å; D318-K320 WeakPolarHBondContact OD2-CG 3.33Å; D318-K320 IonicContact OD2-NZ 3.08Å; D318-K320 PolarHBondContact OD2-NZ 3.5Å
321Y93.6Very high87.7Confident143 Ų143104.2 Ų104.256%0.56157%0.571SS**  trans-122.6152.4177.4-57.3-91000110.5L311 I312 G319L311-Y321 HydrophobicContact CB-CD1 4.38Å; L311-Y321 HydrophobicContact CB-CG 4.4Å; I312-Y321 CarbonylContact O-C 3.57Å; I312-Y321 WeakPolarHBondContact O-CA 3.38Å; G319-Y321 WeakPolarHBondContact O-CD2 3.37Å; G319-Y321 VanDerWaalsContact O-CE2 3.31Å; G319-Y321 WeakPolarHBondContact O-CE2 3.23Å
322K92.3Very high87.4Confident165 Ų165105.2 Ų105.272%0.71758%0.578SS**EExtended strand (participates in β ladder)trans-119.2133.7171.4-65-177.5179.5-178.70109.1L311 I312L311-K322 CarbonylContact C-O 3.6Å; L311-K322 WeakPolarHBondContact CA-O 3.11Å; I312-K322 PolarHBondContact N-O 3.45Å; I312-K322 PolarHBondContact O-N 2.85Å
323S92.2Very high87Confident59 Ų59106.3 Ų106.341%0.41359%0.586SS.*EExtended strand (participates in β ladder)trans-69.6131.6174.5-167.50000109.5E309 V310 V326E309-S323 WeakPolarHBondContact OE1-CB 3.31Å; E309-S323 PolarHBondContact OE1-OG 3.27Å; V310-S323 WeakPolarHBondContact O-CA 3.34Å; S323-V326 WeakPolarHBondContact OG-CG2 3.35Å
324V90.6Very high86.6Confident85 Ų85112.1 Ų112.152%0.51561%0.614SS.*EExtended strand (participates in β ladder)trans-124.6-12-179.6-62.80000113V310 I312V310-V324 HydrophobicContact CB-CG2 3.92Å; V310-V324 HydrophobicContact CG1-CG2 3.74Å; V310-V324 WeakPolarHBondContact O-CG2 3.37Å; V310-V324 PolarHBondContact O-N 3.42Å; I312-V324 HydrophobicContact CB-CG1 4.27Å; I312-V324 HydrophobicContact CD1-CB 4.31Å; I312-V324 HydrophobicContact CD1-CG1 3.9Å; I312-V324 HydrophobicContact CD1-CG2 3.67Å; I312-V324 HydrophobicContact CG1-CG1 4.04Å; I312-V324 HydrophobicContact CG1-CG2 3.72Å
325Y86.2Confident86.5Confident139 Ų139111.3 Ų111.355%0.54560%0.595SS.*EExtended strand (participates in β ladder)trans-154.4136.2176.8-174.8-91.1000108.8Y308 E309 V310Y308-Y325 WeakPolarHBondContact O-CD1 3.4Å; E309-Y325 CarbonylContact C-O 3.58Å; E309-Y325 VanDerWaalsContact CA-O 3.31Å; E309-Y325 WeakPolarHBondContact CA-O 3.29Å; V310-Y325 HydrophobicContact CG2-CD1 4.31Å; V310-Y325 HydrophobicContact CG2-CG 4.49Å; V310-Y325 PolarHBondContact N-O 3.4Å
326V75.8Confident86.4Confident141 Ų141114.5 Ų114.586%0.85561%0.606SS**  trans-1390178.9-1770000108.4E309 S323E309-V326 HydrophobicContact CG-CG2 4.31Å; S323-V326 WeakPolarHBondContact OG-CG2 3.35Å

Retrieved 326 of 326 residues in 146.9 ms (Link to these results)