A0A5K4F6D0_SCHMA Loading...

Thioredoxin domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F6D0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 592 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
1M69.2Low73.4Confident179 Ų179113.8 Ų113.888%0.88257%0.572SS**  0-57.90-69.8-80.875.300111.9L3 I4 S5M1-L3 PolarHBondContact O-N 3.44Å; M1-I4 HydrophobicContact CE-CD1 3.87Å; M1-I4 PolarHBondContact O-N 3.09Å; M1-I4 VanDerWaalsContact O-N 3.08Å; M1-S5 PolarHBondContact O-N 3.25Å; M1-S5 VanDerWaalsContact O-N 3.07Å
2I78.5Confident72.2Confident138 Ų138115.4 Ų115.471%0.70858%0.576SS**Hα-helixtrans-58.7-41.7-179.3-60.6168.2000113.3I4 S5 V6I2-I4 VanDerWaalsContact C-N 3.3Å; I2-I4 PolarHBondContact O-N 3.34Å; I2-S5 PolarHBondContact O-N 3.12Å; I2-S5 PolarHBondContact O-OG 3.25Å; I2-V6 HydrophobicContact CG2-CG2 4.42Å; I2-V6 VanDerWaalsContact O-CG2 3.3Å; I2-V6 WeakPolarHBondContact O-CG2 3.49Å; I2-V6 PolarHBondContact O-N 3.08Å
3L73.5Confident71.3Confident155 Ų155114.3 Ų114.381%0.81257%0.572SS**Hα-helixtrans-63.6-33.2176.2-96.7134.8000113.5M1 F7M1-L3 PolarHBondContact O-N 3.44Å; L3-F7 WeakPolarHBondContact O-CB 3.45Å; L3-F7 PolarHBondContact O-N 3.43Å
4I79.7Confident70.3Confident92 Ų92115.4 Ų115.447%0.47258%0.578SS.*Hα-helixtrans-74-41.7178.6-65163.2000109.6M1 I2 V6 F7 W8M1-I4 HydrophobicContact CE-CD1 3.87Å; M1-I4 PolarHBondContact O-N 3.09Å; M1-I4 VanDerWaalsContact O-N 3.08Å; I2-I4 VanDerWaalsContact C-N 3.3Å; I2-I4 PolarHBondContact O-N 3.34Å; I4-V6 VanDerWaalsContact C-N 3.34Å; I4-V6 PolarHBondContact O-N 3.39Å; I4-F7 PolarHBondContact O-N 3.47Å; I4-W8 VanDerWaalsContact O-CD1 3.29Å; I4-W8 PolarHBondContact O-N 3.48Å
5S77.3Confident69.2Low56 Ų56117.4 Ų117.439%0.39259%0.591SS.*Hα-helixtrans-64.8-39.3176.361.20000112M1 I2 W8 I9M1-S5 PolarHBondContact O-N 3.25Å; M1-S5 VanDerWaalsContact O-N 3.07Å; I2-S5 PolarHBondContact O-N 3.12Å; I2-S5 PolarHBondContact O-OG 3.25Å; S5-W8 PolarHBondContact O-N 3.32Å; S5-I9 WeakPolarHBondContact O-CB 3.46Å; S5-I9 WeakPolarHBondContact O-CD1 3.5Å; S5-I9 WeakPolarHBondContact O-CG1 3.21Å; S5-I9 PolarHBondContact O-N 3.35Å
6V81Confident68Low72 Ų72117.6 Ų117.644%0.43659%0.593SS.*Hα-helixtrans-66.1-39.1176.1172.40000111.2I2 I4 I9 L10I2-V6 HydrophobicContact CG2-CG2 4.42Å; I2-V6 VanDerWaalsContact O-CG2 3.3Å; I2-V6 WeakPolarHBondContact O-CG2 3.49Å; I2-V6 PolarHBondContact O-N 3.08Å; I4-V6 VanDerWaalsContact C-N 3.34Å; I4-V6 PolarHBondContact O-N 3.39Å; V6-I9 PolarHBondContact O-N 3.37Å; V6-L10 HydrophobicContact CG1-CD1 3.74Å; V6-L10 VanDerWaalsContact O-CB 3.32Å; V6-L10 WeakPolarHBondContact O-CB 3.21Å; V6-L10 PolarHBondContact O-N 2.75Å
7F77.1Confident67.1Low141 Ų141118.4 Ų118.462%0.61860%0.599SS**Hα-helixtrans-64.6-42.5175.8-164.2-92.3000111.9L3 I4 L10 T11L3-F7 WeakPolarHBondContact O-CB 3.45Å; L3-F7 PolarHBondContact O-N 3.43Å; I4-F7 PolarHBondContact O-N 3.47Å; F7-L10 PolarHBondContact O-N 3Å; F7-T11 HydrophobicContact CD1-CG2 3.99Å; F7-T11 HydrophobicContact CE1-CG2 3.71Å; F7-T11 HydrophobicContact CZ-CG2 4.3Å; F7-T11 WeakPolarHBondContact O-CG2 3.41Å; F7-T11 PolarHBondContact O-N 3.46Å; F7-T11 PolarHBondContact O-OG1 3.27Å
8W74.7Confident66.3Low178 Ų178116.7 Ų116.767%0.67460%0.596SS**Hα-helixtrans-63-42.8175.5-88.783.9000112.5I4 S5 T11 E12I4-W8 VanDerWaalsContact O-CD1 3.29Å; I4-W8 PolarHBondContact O-N 3.48Å; S5-W8 PolarHBondContact O-N 3.32Å; W8-T11 VanDerWaalsContact CA-OG1 3.3Å; W8-T11 WeakPolarHBondContact CA-OG1 3.49Å; W8-T11 PolarHBondContact O-N 3.49Å; W8-T11 PolarHBondContact O-OG1 2.95Å; W8-E12 WeakPolarHBondContact O-CB 3.26Å; W8-E12 PolarHBondContact O-N 3.33Å
9I69.9Low65.4Low98 Ų98120.3 Ų120.350%0.50361%0.607SS.*Hα-helixtrans-66.1-41.9176.1-66.6162.3000110.6S5 V6 E12 I13S5-I9 WeakPolarHBondContact O-CB 3.46Å; S5-I9 WeakPolarHBondContact O-CD1 3.5Å; S5-I9 WeakPolarHBondContact O-CG1 3.21Å; S5-I9 PolarHBondContact O-N 3.35Å; V6-I9 PolarHBondContact O-N 3.37Å; I9-E12 PolarHBondContact O-N 2.92Å; I9-I13 HydrophobicContact CG2-CD1 3.61Å; I9-I13 HydrophobicContact CG2-CG1 4.31Å; I9-I13 WeakPolarHBondContact O-CB 3.42Å; I9-I13 WeakPolarHBondContact O-CG1 3.21Å; I9-I13 PolarHBondContact O-N 2.76Å
10L64Low65.1Low88 Ų88115.3 Ų115.346%0.46158%0.583SS.*Hα-helixtrans-64.9-40.1175.3-89.4158000111.9V6 F7 I13 I14V6-L10 HydrophobicContact CG1-CD1 3.74Å; V6-L10 VanDerWaalsContact O-CB 3.32Å; V6-L10 WeakPolarHBondContact O-CB 3.21Å; V6-L10 PolarHBondContact O-N 2.75Å; F7-L10 PolarHBondContact O-N 3Å; L10-I13 PolarHBondContact O-N 3.34Å; L10-I14 WeakPolarHBondContact O-CB 3.36Å; L10-I14 WeakPolarHBondContact O-CD1 3.32Å; L10-I14 WeakPolarHBondContact O-CG1 3.24Å; L10-I14 PolarHBondContact O-N 3.07Å
11T62.7Low65.6Low55 Ų55116.2 Ų116.234%0.33759%0.585SS.*Hα-helixtrans-66.4-38.6174.347.70000111.5F7 W8 I14 L15F7-T11 HydrophobicContact CD1-CG2 3.99Å; F7-T11 HydrophobicContact CE1-CG2 3.71Å; F7-T11 HydrophobicContact CZ-CG2 4.3Å; F7-T11 WeakPolarHBondContact O-CG2 3.41Å; F7-T11 PolarHBondContact O-N 3.46Å; F7-T11 PolarHBondContact O-OG1 3.27Å; W8-T11 VanDerWaalsContact CA-OG1 3.3Å; W8-T11 WeakPolarHBondContact CA-OG1 3.49Å; W8-T11 PolarHBondContact O-N 3.49Å; W8-T11 PolarHBondContact O-OG1 2.95Å; T11-I14 PolarHBondContact O-N 3.41Å; T11-L15 WeakPolarHBondContact O-CB 3.37Å; T11-L15 PolarHBondContact O-N 3.07Å
12E59.2Low66.6Low133 Ų133108.3 Ų108.362%0.62155%0.547SS*.Hα-helixtrans-65.7-36.9172.7-84.6-111.8152.200112.4W8 I9 L15 L16W8-E12 WeakPolarHBondContact O-CB 3.26Å; W8-E12 PolarHBondContact O-N 3.33Å; I9-E12 PolarHBondContact O-N 2.92Å; E12-L15 CarbonylContact O-C 3.01Å; E12-L15 PolarHBondContact O-N 2.96Å; E12-L16 WeakPolarHBondContact O-CB 3.37Å; E12-L16 WeakPolarHBondContact O-CG 3.22Å; E12-L16 PolarHBondContact O-N 2.91Å
13I60.7Low67.3Low101 Ų101106.4 Ų106.452%0.51853%0.534SS..Hα-helixtrans-72.8-34.3176.7-68167.2000111.5I9 L10 L16I9-I13 HydrophobicContact CG2-CD1 3.61Å; I9-I13 HydrophobicContact CG2-CG1 4.31Å; I9-I13 WeakPolarHBondContact O-CB 3.42Å; I9-I13 WeakPolarHBondContact O-CG1 3.21Å; I9-I13 PolarHBondContact O-N 2.76Å; L10-I13 PolarHBondContact O-N 3.34Å; I13-L16 WeakPolarHBondContact O-CB 3.3Å
14I56.3Low68.3Low129 Ų129103.2 Ų103.266%0.66252%0.515SS*.Hα-helixtrans-77.1-27.2174-65.5165.6000110.5L10 T11 D17L10-I14 WeakPolarHBondContact O-CB 3.36Å; L10-I14 WeakPolarHBondContact O-CD1 3.32Å; L10-I14 WeakPolarHBondContact O-CG1 3.24Å; L10-I14 PolarHBondContact O-N 3.07Å; T11-I14 PolarHBondContact O-N 3.41Å; I14-D17 PolarHBondContact O-N 3.14Å
15L54.1Low69Low146 Ų14699.1 Ų99.176%0.76449%0.494SS*.Hα-helixtrans-87.3-9.6173.1-141.895000113.5T11 E12 D17T11-L15 WeakPolarHBondContact O-CB 3.37Å; T11-L15 PolarHBondContact O-N 3.07Å; E12-L15 CarbonylContact O-C 3.01Å; E12-L15 PolarHBondContact O-N 2.96Å; L15-D17 PolarHBondContact O-N 3.49Å
16L49.3Very low69.7Low121 Ų12198.2 Ų98.263%0.63449%0.485SS*.  trans-68.637.6149.7-82.3157.8000109.6E12 I13 V18E12-L16 WeakPolarHBondContact O-CB 3.37Å; E12-L16 WeakPolarHBondContact O-CG 3.22Å; E12-L16 PolarHBondContact O-N 2.91Å; I13-L16 WeakPolarHBondContact O-CB 3.3Å; L16-V18 PolarHBondContact O-N 3.2Å
17D52.7Low70.1Confident130 Ų13097.4 Ų97.470%0.69548%0.482SS*.  trans-50.8103.4146.5-166.116.2000104.4I14 L15 K19I14-D17 PolarHBondContact O-N 3.14Å; L15-D17 PolarHBondContact O-N 3.49Å; D17-K19 VanDerWaalsContact C-N 3.3Å; D17-K19 PolarHBondContact O-N 3.2Å
18V53.1Low70.6Confident88 Ų8897.6 Ų97.653%0.53348%0.479SS..  trans-50.6103-176.7174.60000105.2L16 C20 L65L16-V18 PolarHBondContact O-N 3.2Å; V18-C20 PolarHBondContact O-N 3.12Å; V18-C20 PolarHBondContact O-SG 3.2Å; V18-L65 HydrophobicContact CG1-CD2 4.35Å
19K49.7Very low71.4Confident186 Ų18689.1 Ų89.181%0.80945%0.447SS*.  trans-61.891.4176-78-175.6177.7178.90105.6D17 E21D17-K19 VanDerWaalsContact C-N 3.3Å; D17-K19 PolarHBondContact O-N 3.2Å; K19-E21 PolarHBondContact O-N 3.46Å
20C59.6Low72.2Confident19 Ų1984.8 Ų84.813%0.12842%0.424CS..  trans-74.579.5174.2-65.20000105.7V18 R62 L65V18-C20 PolarHBondContact O-N 3.12Å; V18-C20 PolarHBondContact O-SG 3.2Å; C20-R62 HydrophobicContact CB-CB 4.27Å; C20-R62 HydrophobicContact CB-CG 3.45Å; C20-R62 VanDerWaalsContact CB-CG 3.45Å; C20-L65 HydrophobicContact CB-CD2 4.26Å
21E74.4Confident73.3Confident135 Ų13587.1 Ų87.163%0.63143%0.433SS*.  trans-82.6131.3-175.5-168.8171.2178.800109.2K19 F23K19-E21 PolarHBondContact O-N 3.46Å; E21-F23 PolarHBondContact O-N 2.98Å
22V91.9Very high74.5Confident14 Ų1486.8 Ų86.89%0.08543%0.427CS..  trans-67.6111.9165.8175.40000106.9E24 Y57 E58 V73 R75V22-E24 PolarHBondContact O-N 3.42Å; V22-Y57 HydrophobicContact CG1-CD1 3.88Å; V22-Y57 HydrophobicContact CG1-CE1 3.73Å; V22-Y57 HydrophobicContact CG2-CD1 3.99Å; V22-Y57 HydrophobicContact CG2-CE1 4.45Å; V22-E58 HydrophobicContact CG2-CG 3.98Å; V22-V73 WeakPolarHBondContact CA-O 3.42Å; V22-V73 HydrophobicContact CG1-CG1 4.47Å; V22-V73 HydrophobicContact CG2-CG1 4.27Å; V22-R75 HydrophobicContact CG1-CB 4.09Å; V22-R75 HydrophobicContact CG1-CG 4Å
23F92.3Very high75.8Confident98 Ų9880.5 Ų80.543%0.4340%0.398SS..EExtended strand (participates in β ladder)trans-63.4129.8-176-62.4-79.4000111.5E21 L25 W38 K72 V73 A74 R75E21-F23 PolarHBondContact O-N 2.98Å; F23-L25 PolarHBondContact O-N 2.8Å; F23-W38 HydrophobicContact CD2-CZ3 4.41Å; F23-K72 HydrophobicContact CE2-CB 4.43Å; F23-V73 WeakPolarHBondContact CD2-O 3.12Å; F23-V73 PolarHBondContact N-O 3.37Å; F23-A74 HydrophobicContact CB-CB 3.92Å; F23-A74 CarbonylContact O-C 3.48Å; F23-A74 WeakPolarHBondContact O-CA 3.23Å; F23-A74 WeakPolarHBondContact O-CB 3.31Å; F23-R75 PolarHBondContact O-N 3.26Å
24E94.5Very high77Confident87 Ų8779.8 Ų79.841%0.40740%0.395SS..EExtended strand (participates in β ladder)trans-78.9118.6166.1-168.871-149.900109.1V22 Y43 R75V22-E24 PolarHBondContact O-N 3.42Å; E24-Y43 WeakPolarHBondContact OE1-CE1 3.41Å; E24-Y43 PolarHBondContact OE1-OH 3.45Å; E24-Y43 PolarHBondContact OE2-OH 2.83Å; E24-R75 WeakPolarHBondContact OE2-CG 3.28Å; E24-R75 IonicContact OE2-CZ 3.39Å; E24-R75 IonicContact OE2-NE 2.68Å; E24-R75 PolarHBondContact OE2-NE 3.48Å; E24-R75 IonicContact OE2-NH2 3.22Å; E24-R75 PolarHBondContact OE2-NH2 2.93Å
25L94.5Very high78.5Confident6 Ų680.8 Ų80.83%0.03139%0.394CS..EExtended strand (participates in β ladder)trans-91.6145.7178-62.1174.4000111.1F23 F29 F32 W38 V40 A74 R75 L76F23-L25 PolarHBondContact O-N 2.8Å; L25-F29 HydrophobicContact CB-CB 4.29Å; L25-F29 HydrophobicContact CB-CG 4.48Å; L25-F29 HydrophobicContact CD1-CB 4.48Å; L25-F29 HydrophobicContact CD1-CD1 4.09Å; L25-F29 HydrophobicContact CD1-CD2 3.63Å; L25-F29 HydrophobicContact CD1-CE1 4.22Å; L25-F29 HydrophobicContact CD1-CE2 3.78Å; L25-F29 HydrophobicContact CD1-CG 3.81Å; L25-F29 HydrophobicContact CD1-CZ 4.08Å; L25-F29 HydrophobicContact CD2-CB 4.45Å; L25-F29 HydrophobicContact CD2-CD2 3.8Å; L25-F29 HydrophobicContact CD2-CE2 4.41Å; L25-F29 HydrophobicContact CD2-CG 4.31Å; L25-F29 HydrophobicContact CG-CD2 4.26Å; L25-F29 HydrophobicContact CG-CG 4.43Å; L25-F32 HydrophobicContact CD2-CE2 3.9Å; L25-F32 HydrophobicContact CD2-CZ 3.81Å; L25-W38 HydrophobicContact CD2-CZ3 4.17Å; L25-V40 HydrophobicContact CD1-CG1 3.88Å; L25-V40 HydrophobicContact CD1-CG2 3.94Å; L25-A74 HydrophobicContact CD1-CB 3.66Å; L25-A74 HydrophobicContact CD2-CB 4.11Å; L25-A74 HydrophobicContact CG-CB 3.72Å; L25-R75 PolarHBondContact N-O 3.43Å; L25-L76 HydrophobicContact CB-CB 4.1Å; L25-L76 HydrophobicContact CB-CD1 3.88Å; L25-L76 HydrophobicContact CB-CG 4.38Å
26D92.9Very high79.5Confident38 Ų3874.5 Ų74.520%0.20337%0.365CS..  trans-119.3-167.7174.163.825000111.5R28 F29 Y81D26-R28 PolarHBondContact O-N 2.84Å; D26-R28 VanDerWaalsContact O-N 3.12Å; D26-R28 WeakPolarHBondContact OD1-CA 3.35Å; D26-R28 WeakPolarHBondContact OD1-CB 3.38Å; D26-R28 WeakPolarHBondContact OD1-CG 3.42Å; D26-R28 PolarHBondContact OD1-N 3.35Å; D26-R28 IonicContact OD1-NE 3.22Å; D26-R28 PolarHBondContact OD1-NE 3.33Å; D26-R28 IonicContact OD2-CZ 2.93Å; D26-R28 IonicContact OD2-NE 2.73Å; D26-R28 PolarHBondContact OD2-NE 3.48Å; D26-R28 IonicContact OD2-NH2 2.76Å; D26-R28 PolarHBondContact OD2-NH2 3.28Å; D26-F29 WeakPolarHBondContact O-CB 3.34Å; D26-F29 PolarHBondContact O-N 3.43Å; D26-F29 VanDerWaalsContact O-N 3.12Å; D26-Y81 HydrophobicContact CB-CE1 4.46Å; D26-Y81 HydrophobicContact CB-CE2 4.4Å; D26-Y81 WeakPolarHBondContact CB-OH 3.18Å
27S88.7Confident81.6Confident54 Ų5469.5 Ų69.538%0.37834%0.34SS..THydrogen-bonded Turntrans-58.4-23.2178.954.60000114.2F29 Y81S27-F29 PolarHBondContact O-N 3.39Å; S27-Y81 VanDerWaalsContact N-CE1 3.34Å
28R88.3Confident83.6Confident146 Ų14663.9 Ų63.955%0.55131%0.309SS*.THydrogen-bonded Turntrans-74.2-10.3-179.8-56.4174.9-68.9172.7-1.9112.6D26 I30 E31 F32D26-R28 PolarHBondContact O-N 2.84Å; D26-R28 VanDerWaalsContact O-N 3.12Å; D26-R28 WeakPolarHBondContact OD1-CA 3.35Å; D26-R28 WeakPolarHBondContact OD1-CB 3.38Å; D26-R28 WeakPolarHBondContact OD1-CG 3.42Å; D26-R28 PolarHBondContact OD1-N 3.35Å; D26-R28 IonicContact OD1-NE 3.22Å; D26-R28 PolarHBondContact OD1-NE 3.33Å; D26-R28 IonicContact OD2-CZ 2.93Å; D26-R28 IonicContact OD2-NE 2.73Å; D26-R28 PolarHBondContact OD2-NE 3.48Å; D26-R28 IonicContact OD2-NH2 2.76Å; D26-R28 PolarHBondContact OD2-NH2 3.28Å; R28-I30 PolarHBondContact O-N 3.23Å; R28-I30 VanDerWaalsContact O-N 3.08Å; R28-E31 VanDerWaalsContact O-CB 3.31Å; R28-E31 WeakPolarHBondContact O-CB 3.3Å; R28-E31 PolarHBondContact O-N 3.47Å; R28-F32 VanDerWaalsContact C-CE1 3.46Å; R28-F32 HydrophobicContact CB-CE1 4.1Å; R28-F32 WeakPolarHBondContact O-CD1 3.34Å; R28-F32 VanDerWaalsContact O-CE1 3.28Å; R28-F32 WeakPolarHBondContact O-CE1 3.05Å
29F90.9Very high85.7Confident0 Ų059.7 Ų59.70%028%0.284CS..Hα-helixtrans-50.5-36.4177.5177.5-127.1000113.3L25 D26 S27 E31 F32 I33 W38 V40 L76 I84 F88 I99L25-F29 HydrophobicContact CB-CB 4.29Å; L25-F29 HydrophobicContact CB-CG 4.48Å; L25-F29 HydrophobicContact CD1-CB 4.48Å; L25-F29 HydrophobicContact CD1-CD1 4.09Å; L25-F29 HydrophobicContact CD1-CD2 3.63Å; L25-F29 HydrophobicContact CD1-CE1 4.22Å; L25-F29 HydrophobicContact CD1-CE2 3.78Å; L25-F29 HydrophobicContact CD1-CG 3.81Å; L25-F29 HydrophobicContact CD1-CZ 4.08Å; L25-F29 HydrophobicContact CD2-CB 4.45Å; L25-F29 HydrophobicContact CD2-CD2 3.8Å; L25-F29 HydrophobicContact CD2-CE2 4.41Å; L25-F29 HydrophobicContact CD2-CG 4.31Å; L25-F29 HydrophobicContact CG-CD2 4.26Å; L25-F29 HydrophobicContact CG-CG 4.43Å; D26-F29 WeakPolarHBondContact O-CB 3.34Å; D26-F29 PolarHBondContact O-N 3.43Å; D26-F29 VanDerWaalsContact O-N 3.12Å; S27-F29 PolarHBondContact O-N 3.39Å; F29-E31 PolarHBondContact O-N 3.32Å; F29-F32 HydrophobicContact CB-CZ 4.21Å; F29-F32 HydrophobicContact CD2-CD2 4.18Å; F29-F32 AromaticContact CD2-CE2 3.62Å; F29-F32 HydrophobicContact CD2-CE2 3.62Å; F29-F32 HydrophobicContact CD2-CZ 4.04Å; F29-F32 HydrophobicContact CE2-CE2 4.36Å; F29-F32 PolarHBondContact O-N 2.88Å; F29-I33 HydrophobicContact CZ-CG1 4.3Å; F29-I33 PolarHBondContact O-N 2.82Å; F29-W38 AromaticContact CE2-CD2 3.95Å; F29-W38 HydrophobicContact CE2-CD2 3.95Å; F29-W38 HydrophobicContact CE2-CE3 4.46Å; F29-W38 AromaticContact CE2-CG 3.97Å; F29-W38 HydrophobicContact CE2-CG 3.97Å; F29-W38 HydrophobicContact CZ-CG 4.36Å; F29-V40 HydrophobicContact CE1-CG2 4.44Å; F29-V40 HydrophobicContact CZ-CG2 3.9Å; F29-L76 HydrophobicContact CD1-CD1 4.32Å; F29-I84 HydrophobicContact CD1-CG2 4.28Å; F29-F88 HydrophobicContact CE1-CE2 4.23Å; F29-I99 HydrophobicContact CE1-CD1 4.02Å; F29-I99 HydrophobicContact CZ-CD1 4.05Å; F29-I99 HydrophobicContact CZ-CG2 4.32Å
30I87.1Confident88Confident7 Ų750.9 Ų50.94%0.03625%0.245CC..Hα-helixtrans-60.9-28.2177.9-66.5165.4000112.6R28 I33 I84 R585 L588R28-I30 PolarHBondContact O-N 3.23Å; R28-I30 VanDerWaalsContact O-N 3.08Å; I30-I33 WeakPolarHBondContact O-CG2 3.48Å; I30-I84 HydrophobicContact CD1-CD1 4.01Å; I30-I84 HydrophobicContact CD1-CG1 3.68Å; I30-I84 HydrophobicContact CG1-CD1 4.13Å; I30-I84 HydrophobicContact CG1-CG1 4.12Å; I30-R585 HydrophobicContact CG2-CG 3.45Å; I30-R585 VanDerWaalsContact CG2-CG 3.45Å; I30-R585 PolarHBondContact O-NE 3.27Å; I30-R585 PolarHBondContact O-NH2 2.92Å; I30-R585 VanDerWaalsContact O-NH2 3.17Å; I30-L588 HydrophobicContact CB-CD1 4.02Å; I30-L588 HydrophobicContact CD1-CD1 3.59Å; I30-L588 HydrophobicContact CD1-CG 4.48Å; I30-L588 HydrophobicContact CG1-CD1 4.38Å; I30-L588 HydrophobicContact CG2-CD1 4.19Å
31E86.5Confident89.8Confident136 Ų13650.3 Ų50.364%0.63624%0.241SC*.Hα-helixtrans-78.3-28-178.2-58.4-180178.500112.7R28 F29R28-E31 VanDerWaalsContact O-CB 3.31Å; R28-E31 WeakPolarHBondContact O-CB 3.3Å; R28-E31 PolarHBondContact O-N 3.47Å; F29-E31 PolarHBondContact O-N 3.32Å
32F87.1Confident91Very high49 Ų4943.9 Ų43.922%0.21521%0.211CC..Hα-helixtrans-119.213-177.462.9-99.3000114.2L25 R28 F29 D34 K35 W38L25-F32 HydrophobicContact CD2-CE2 3.9Å; L25-F32 HydrophobicContact CD2-CZ 3.81Å; R28-F32 VanDerWaalsContact C-CE1 3.46Å; R28-F32 HydrophobicContact CB-CE1 4.1Å; R28-F32 WeakPolarHBondContact O-CD1 3.34Å; R28-F32 VanDerWaalsContact O-CE1 3.28Å; R28-F32 WeakPolarHBondContact O-CE1 3.05Å; F29-F32 HydrophobicContact CB-CZ 4.21Å; F29-F32 HydrophobicContact CD2-CD2 4.18Å; F29-F32 AromaticContact CD2-CE2 3.62Å; F29-F32 HydrophobicContact CD2-CE2 3.62Å; F29-F32 HydrophobicContact CD2-CZ 4.04Å; F29-F32 HydrophobicContact CE2-CE2 4.36Å; F29-F32 PolarHBondContact O-N 2.88Å; F32-D34 PolarHBondContact O-N 3.25Å; F32-D34 VanDerWaalsContact O-N 3.11Å; F32-K35 HydrophobicContact CB-CB 4.3Å; F32-K35 HydrophobicContact CB-CD 3.88Å; F32-K35 HydrophobicContact CB-CG 4.06Å; F32-K35 VanDerWaalsContact O-CB 3.32Å; F32-K35 WeakPolarHBondContact O-CB 3.48Å; F32-K35 PolarHBondContact O-N 3.44Å; F32-W38 AromaticContact CD2-CH2 3.85Å; F32-W38 HydrophobicContact CD2-CH2 3.85Å; F32-W38 AromaticContact CD2-CZ2 3.45Å; F32-W38 HydrophobicContact CD2-CZ2 3.45Å; F32-W38 VanDerWaalsContact CD2-CZ2 3.45Å; F32-W38 AromaticContact CE2-CH2 3.5Å; F32-W38 HydrophobicContact CE2-CH2 3.5Å; F32-W38 AromaticContact CE2-CZ2 3.57Å; F32-W38 HydrophobicContact CE2-CZ2 3.57Å; F32-W38 HydrophobicContact CE2-CZ3 4.26Å
33I87.6Confident91.3Very high1 Ų145 Ų451%0.00521%0.214CC..THydrogen-bonded Turntrans-51.9-32.5174.6-167.1175.5000113.4F29 I30 K35 F88 I99 G101 I581F29-I33 HydrophobicContact CZ-CG1 4.3Å; F29-I33 PolarHBondContact O-N 2.82Å; I30-I33 WeakPolarHBondContact O-CG2 3.48Å; I33-K35 VanDerWaalsContact C-N 3.31Å; I33-F88 HydrophobicContact CD1-CE1 4.38Å; I33-F88 HydrophobicContact CD1-CE2 4.5Å; I33-F88 HydrophobicContact CD1-CZ 3.58Å; I33-I99 HydrophobicContact CD1-CG2 3.62Å; I33-I99 HydrophobicContact CG1-CG2 3.56Å; I33-G101 PolarHBondContact O-N 3.48Å; I33-I581 HydrophobicContact CD1-CD1 4.38Å
34D86.2Confident91.5Very high85 Ų8540.4 Ų40.446%0.45519%0.194SC..THydrogen-bonded Turntrans-82-6.6179.1-56.9-48.9000112.6F32 G36 G101 R585F32-D34 PolarHBondContact O-N 3.25Å; F32-D34 VanDerWaalsContact O-N 3.11Å; D34-G36 PolarHBondContact O-N 2.9Å; D34-G101 WeakPolarHBondContact OD1-CA 3.47Å; D34-R585 IonicContact OD2-CZ 2.85Å; D34-R585 IonicContact OD2-NH1 3.12Å; D34-R585 IonicContact OD2-NH2 3.99Å; D34-R585 PolarHBondContact OD2-NH2 3.35Å
35K86.6Confident91.5Very high150 Ų15039.7 Ų39.765%0.65220%0.196SC*.SBendtrans-88.129.8-177.8-60.1-167.9-177.3176.40113.9F32 I33 K72F32-K35 HydrophobicContact CB-CB 4.3Å; F32-K35 HydrophobicContact CB-CD 3.88Å; F32-K35 HydrophobicContact CB-CG 4.06Å; F32-K35 VanDerWaalsContact O-CB 3.32Å; F32-K35 WeakPolarHBondContact O-CB 3.48Å; F32-K35 PolarHBondContact O-N 3.44Å; I33-K35 VanDerWaalsContact C-N 3.31Å; K35-K72 PolarHBondContact O-NZ 2.9Å
36G75.2Confident91.5Very high15 Ų1548 Ų4816%0.15523%0.227CC..SBendtrans141.9173166.400000113.5D34 W38D34-G36 PolarHBondContact O-N 2.9Å; G36-W38 PolarHBondContact O-NE1 3.23Å; G36-W38 VanDerWaalsContact O-NE1 3.16Å
37P94Very high91.6Very high16 Ų1646.6 Ų46.610%0.10422%0.221CC..  trans-74.2132.1167.931.5-34000110.6S70 I71 K72 Y98 N100 N124P37-S70 WeakPolarHBondContact CG-O 3.29Å; P37-I71 HydrophobicContact CB-CG1 4.36Å; P37-I71 HydrophobicContact CG-CG1 4.12Å; P37-K72 PolarHBondContact O-N 3.37Å; P37-Y98 HydrophobicContact CB-CE2 3.61Å; P37-Y98 VanDerWaalsContact CB-OH 3.31Å; P37-Y98 WeakPolarHBondContact CB-OH 3.28Å; P37-N100 HydrophobicContact CB-CB 4.32Å; P37-N124 WeakPolarHBondContact CB-OD1 2.83Å; P37-N124 VanDerWaalsContact CG-OD1 3.28Å; P37-N124 WeakPolarHBondContact CG-OD1 3.15Å
38W95.4Very high91.9Very high12 Ų1245.4 Ų45.45%0.04522%0.217CC..EExtended strand (participates in β ladder)trans-119.4134.8178.6-5785.8000110.2F23 L25 F29 F32 G36 V40 K72 A74 Y98 I99F23-W38 HydrophobicContact CD2-CZ3 4.41Å; L25-W38 HydrophobicContact CD2-CZ3 4.17Å; F29-W38 AromaticContact CE2-CD2 3.95Å; F29-W38 HydrophobicContact CE2-CD2 3.95Å; F29-W38 HydrophobicContact CE2-CE3 4.46Å; F29-W38 AromaticContact CE2-CG 3.97Å; F29-W38 HydrophobicContact CE2-CG 3.97Å; F29-W38 HydrophobicContact CZ-CG 4.36Å; F32-W38 AromaticContact CD2-CH2 3.85Å; F32-W38 HydrophobicContact CD2-CH2 3.85Å; F32-W38 AromaticContact CD2-CZ2 3.45Å; F32-W38 HydrophobicContact CD2-CZ2 3.45Å; F32-W38 VanDerWaalsContact CD2-CZ2 3.45Å; F32-W38 AromaticContact CE2-CH2 3.5Å; F32-W38 HydrophobicContact CE2-CH2 3.5Å; F32-W38 AromaticContact CE2-CZ2 3.57Å; F32-W38 HydrophobicContact CE2-CZ2 3.57Å; F32-W38 HydrophobicContact CE2-CZ3 4.26Å; G36-W38 PolarHBondContact O-NE1 3.23Å; G36-W38 VanDerWaalsContact O-NE1 3.16Å; W38-V40 HydrophobicContact CB-CG2 3.67Å; W38-K72 CarbonylContact C-O 3.58Å; W38-K72 VanDerWaalsContact CA-O 3.23Å; W38-K72 WeakPolarHBondContact CA-O 3.33Å; W38-K72 HydrophobicContact CD2-CB 4.02Å; W38-K72 HydrophobicContact CD2-CD 4.29Å; W38-K72 HydrophobicContact CE3-CB 3.5Å; W38-K72 VanDerWaalsContact CE3-CB 3.5Å; W38-K72 HydrophobicContact CE3-CD 4.11Å; W38-K72 HydrophobicContact CE3-CG 4.46Å; W38-K72 HydrophobicContact CH2-CB 4.29Å; W38-K72 HydrophobicContact CH2-CD 3.42Å; W38-K72 VanDerWaalsContact CH2-CD 3.42Å; W38-K72 HydrophobicContact CH2-CG 4.48Å; W38-K72 HydrophobicContact CZ2-CD 3.58Å; W38-K72 HydrophobicContact CZ3-CB 3.67Å; W38-K72 HydrophobicContact CZ3-CD 3.7Å; W38-K72 HydrophobicContact CZ3-CG 4.31Å; W38-A74 HydrophobicContact CE3-CB 4.04Å; W38-A74 HydrophobicContact CZ3-CB 4.36Å; W38-Y98 CarbonylContact O-C 3.54Å; W38-Y98 VanDerWaalsContact O-CA 3.29Å; W38-Y98 WeakPolarHBondContact O-CA 3.07Å; W38-I99 HydrophobicContact CB-CB 4.42Å; W38-I99 PolarHBondContact N-O 2.89Å; W38-I99 PolarHBondContact O-N 3.42Å
39L97.3Very high92.2Very high0 Ų044.4 Ų44.40%022%0.217CC..EExtended strand (participates in β ladder)trans-98.8113.1157.5-171.769.6000107Y57 L64 I71 K72 V73 A74 I96 F119 A120L39-Y57 VanDerWaalsContact C-OH 3.3Å; L39-Y57 HydrophobicContact CD2-CE2 3.91Å; L39-Y57 HydrophobicContact CG-CE2 4.25Å; L39-Y57 PolarHBondContact O-OH 3.44Å; L39-L64 HydrophobicContact CD2-CD1 3.69Å; L39-I71 HydrophobicContact CB-CG2 4.28Å; L39-K72 PolarHBondContact N-O 3.38Å; L39-V73 HydrophobicContact CB-CG2 4.17Å; L39-V73 HydrophobicContact CD2-CG2 4.45Å; L39-V73 WeakPolarHBondContact O-CA 3.37Å; L39-A74 PolarHBondContact O-N 2.86Å; L39-I96 HydrophobicContact CD1-CG2 3.73Å; L39-I96 HydrophobicContact CG-CG2 4.03Å; L39-F119 HydrophobicContact CD1-CD1 3.92Å; L39-F119 HydrophobicContact CD1-CE1 3.79Å; L39-A120 HydrophobicContact CD1-CB 4.27Å; L39-A120 HydrophobicContact CD2-CB 4.38Å
40V97.6Very high92.4Very high0 Ų044.9 Ų44.90%022%0.22CC..EExtended strand (participates in β ladder)trans-114.7122.9-173.9-175.50000111.2L25 F29 W38 F42 A74 L76 I96 K97 I99L25-V40 HydrophobicContact CD1-CG1 3.88Å; L25-V40 HydrophobicContact CD1-CG2 3.94Å; F29-V40 HydrophobicContact CE1-CG2 4.44Å; F29-V40 HydrophobicContact CZ-CG2 3.9Å; W38-V40 HydrophobicContact CB-CG2 3.67Å; V40-F42 HydrophobicContact CB-CE2 4.11Å; V40-F42 HydrophobicContact CG1-CD2 4.18Å; V40-F42 HydrophobicContact CG1-CE2 3.82Å; V40-F42 HydrophobicContact CG1-CZ 4.04Å; V40-A74 CarbonylContact C-O 3.58Å; V40-A74 VanDerWaalsContact CA-O 3.3Å; V40-A74 WeakPolarHBondContact CA-O 3.23Å; V40-L76 HydrophobicContact CG1-CB 4.26Å; V40-I96 WeakPolarHBondContact O-CA 3.46Å; V40-K97 PolarHBondContact N-O 3Å; V40-K97 PolarHBondContact O-N 2.89Å; V40-I99 HydrophobicContact CB-CD1 4.11Å; V40-I99 HydrophobicContact CG2-CD1 3.91Å
41Q97.8Very high92.7Very high8 Ų851.9 Ų51.94%0.03725%0.246CC..EExtended strand (participates in β ladder)trans-89.3112.5167.1-179-168.67.700110.1L53 Y57 A74 R75 L76 P94 I96Q41-L53 HydrophobicContact CG-CD2 4.4Å; Q41-Y57 HydrophobicContact CB-CD1 4.39Å; Q41-Y57 HydrophobicContact CB-CE1 3.69Å; Q41-Y57 HydrophobicContact CB-CE2 4.25Å; Q41-Y57 PolarHBondContact N-OH 2.86Å; Q41-A74 PolarHBondContact N-O 3.37Å; Q41-R75 HydrophobicContact CB-CB 4.09Å; Q41-R75 CarbonylContact O-C 3.48Å; Q41-R75 VanDerWaalsContact O-CA 3.23Å; Q41-R75 WeakPolarHBondContact O-CA 3.27Å; Q41-L76 PolarHBondContact O-N 2.91Å; Q41-P94 HydrophobicContact CG-CB 4.17Å; Q41-I96 HydrophobicContact CG-CG1 4.46Å
42F98.2Very high93Very high0 Ų054.1 Ų54.10%025%0.248CC..EExtended strand (participates in β ladder)trans-82.8115.7165.6-63.4-94.1000108.9V40 L76 A78 I84 F88 V90 P94 T95 K97 I99V40-F42 HydrophobicContact CB-CE2 4.11Å; V40-F42 HydrophobicContact CG1-CD2 4.18Å; V40-F42 HydrophobicContact CG1-CE2 3.82Å; V40-F42 HydrophobicContact CG1-CZ 4.04Å; F42-L76 HydrophobicContact CD1-CB 4.5Å; F42-L76 HydrophobicContact CD1-CD2 3.7Å; F42-L76 HydrophobicContact CE1-CD2 3.86Å; F42-A78 HydrophobicContact CB-CB 4.21Å; F42-A78 HydrophobicContact CD1-CB 4.36Å; F42-I84 HydrophobicContact CE1-CG2 4.15Å; F42-F88 HydrophobicContact CE1-CD2 4.2Å; F42-F88 HydrophobicContact CE2-CB 4.47Å; F42-F88 HydrophobicContact CZ-CB 4.03Å; F42-F88 AromaticContact CZ-CD2 3.68Å; F42-F88 HydrophobicContact CZ-CD2 3.68Å; F42-F88 HydrophobicContact CZ-CE2 4.44Å; F42-F88 AromaticContact CZ-CG 3.97Å; F42-F88 HydrophobicContact CZ-CG 3.97Å; F42-V90 HydrophobicContact CB-CG1 3.87Å; F42-V90 HydrophobicContact CB-CG2 3.91Å; F42-V90 HydrophobicContact CD1-CG2 3.67Å; F42-V90 HydrophobicContact CD2-CG2 3.77Å; F42-V90 HydrophobicContact CE1-CG2 4.09Å; F42-V90 HydrophobicContact CE2-CG2 4.2Å; F42-V90 HydrophobicContact CG-CG1 4.38Å; F42-V90 HydrophobicContact CG-CG2 3.49Å; F42-V90 VanDerWaalsContact CG-CG2 3.49Å; F42-V90 HydrophobicContact CZ-CG2 4.34Å; F42-P94 WeakPolarHBondContact O-CA 3.48Å; F42-T95 PolarHBondContact N-O 3.38Å; F42-T95 PolarHBondContact O-N 3.21Å; F42-T95 VanDerWaalsContact O-N 3.11Å; F42-K97 HydrophobicContact CD2-CD 4.39Å; F42-K97 HydrophobicContact CE2-CB 4.22Å; F42-K97 HydrophobicContact CE2-CD 3.93Å; F42-K97 HydrophobicContact CE2-CG 4.36Å; F42-I99 HydrophobicContact CE2-CD1 4.17Å; F42-I99 HydrophobicContact CZ-CD1 4.11Å
43Y98Very high93.4Very high38 Ų3852 Ų5215%0.14924%0.239CC..EExtended strand (participates in β ladder)trans-126.5170.4-174.577.8-81.9000112.2E24 P45 R75 L76 D77 A78E24-Y43 WeakPolarHBondContact OE1-CE1 3.41Å; E24-Y43 PolarHBondContact OE1-OH 3.45Å; E24-Y43 PolarHBondContact OE2-OH 2.83Å; Y43-P45 HydrophobicContact CE2-CG 4.41Å; Y43-R75 HydrophobicContact CD1-CB 3.91Å; Y43-R75 HydrophobicContact CD1-CG 4.23Å; Y43-R75 HydrophobicContact CE1-CB 3.96Å; Y43-R75 HydrophobicContact CE1-CG 3.79Å; Y43-L76 VanDerWaalsContact CD1-C 3.46Å; Y43-L76 VanDerWaalsContact CD1-O 3.23Å; Y43-L76 WeakPolarHBondContact CD1-O 3.24Å; Y43-L76 PolarHBondContact N-O 2.84Å; Y43-L76 VanDerWaalsContact N-O 3.07Å; Y43-D77 HydrophobicContact CE1-CB 4.21Å; Y43-D77 VanDerWaalsContact CE1-N 3.35Å; Y43-D77 HydrophobicContact CE2-CB 4.49Å; Y43-A78 PolarHBondContact O-N 3.46Å
44A97.1Very high93.7Very high1 Ų153.6 Ų53.61%0.00825%0.252CS..  trans-127.4138.7166.500000109W46 C47 T79 F93A44-W46 HydrophobicContact CB-CD2 4.1Å; A44-W46 HydrophobicContact CB-CH2 4.33Å; A44-W46 HydrophobicContact CB-CZ2 3.78Å; A44-W46 PolarHBondContact O-N 3.45Å; A44-W46 VanDerWaalsContact O-N 3.16Å; A44-C47 HydrophobicContact CB-CB 4.29Å; A44-C47 WeakPolarHBondContact O-CB 3.31Å; A44-C47 PolarHBondContact O-N 3.33Å; A44-T79 HydrophobicContact CB-CG2 3.49Å; A44-T79 VanDerWaalsContact CB-CG2 3.49Å; A44-F93 HydrophobicContact CB-CD2 3.5Å; A44-F93 HydrophobicContact CB-CE2 3.79Å; A44-F93 HydrophobicContact CB-CG 3.99Å
45P95.3Very high94Very high71 Ų7151.7 Ų51.746%0.46125%0.253SS..THydrogen-bonded Turntrans-57-35.2-174.8-2834.9000114Y43 C47 R51 D77Y43-P45 HydrophobicContact CE2-CG 4.41Å; P45-C47 VanDerWaalsContact C-N 3.32Å; P45-C47 PolarHBondContact O-N 2.83Å; P45-R51 PolarHBondContact O-NH1 3.49Å; P45-D77 WeakPolarHBondContact CD-OD2 3.35Å; P45-D77 WeakPolarHBondContact CG-OD2 3.33Å
46W93.7Very high94.4Very high181 Ų18146.7 Ų46.769%0.68624%0.235SC*.THydrogen-bonded Turntrans-79.1-10-179.647.5-99.9000113.7A44 G48 R51 F93A44-W46 HydrophobicContact CB-CD2 4.1Å; A44-W46 HydrophobicContact CB-CH2 4.33Å; A44-W46 HydrophobicContact CB-CZ2 3.78Å; A44-W46 PolarHBondContact O-N 3.45Å; A44-W46 VanDerWaalsContact O-N 3.16Å; W46-G48 PolarHBondContact O-N 2.95Å; W46-R51 PolarHBondContact O-NH1 3.3Å; W46-F93 HydrophobicContact CH2-CD2 4.19Å; W46-F93 HydrophobicContact CZ2-CD2 4.38Å; W46-F93 HydrophobicContact CZ2-CE2 4.36Å
47C95.7Very high95.4Very high9 Ų946.1 Ų46.16%0.06123%0.228CC..  trans-77.1114.2-174.3-178.30000113.4A44 P45 F49 C50 R51 F93A44-C47 HydrophobicContact CB-CB 4.29Å; A44-C47 WeakPolarHBondContact O-CB 3.31Å; A44-C47 PolarHBondContact O-N 3.33Å; P45-C47 VanDerWaalsContact C-N 3.32Å; P45-C47 PolarHBondContact O-N 2.83Å; C47-F49 VanDerWaalsContact C-N 3.33Å; C47-F49 PolarHBondContact O-N 3.49Å; C47-C50 HydrophobicContact CB-CB 4.02Å; C47-C50 WeakPolarHBondContact CB-SG 3.45Å; C47-C50 WeakPolarHBondContact O-CB 3.29Å; C47-C50 PolarHBondContact O-N 3.27Å; C47-C50 PolarHBondContact SG-SG 2.83Å; C47-R51 PolarHBondContact O-N 3.28Å; C47-F93 HydrophobicContact CB-CB 4.36Å
48G94.1Very high95.4Very high29 Ų2949.5 Ų49.530%0.29924%0.243SC..Hα-helixtrans-65.6-29.1177.400000114.6W46 R51 R52W46-G48 PolarHBondContact O-N 2.95Å; G48-R51 PolarHBondContact O-N 3.47Å; G48-R52 PolarHBondContact O-N 3.04Å; G48-R52 VanDerWaalsContact O-N 3.14Å
49F93.9Very high95.4Very high125 Ų12553.2 Ų53.255%0.54826%0.26SS..Hα-helixtrans-69-35.7173.6-65-81.7000111.8C47 R52 L53 P94C47-F49 VanDerWaalsContact C-N 3.33Å; C47-F49 PolarHBondContact O-N 3.49Å; F49-R52 PolarHBondContact O-N 3.4Å; F49-L53 WeakPolarHBondContact O-CB 3.3Å; F49-L53 PolarHBondContact O-N 3.31Å; F49-L53 VanDerWaalsContact O-N 3.15Å; F49-P94 HydrophobicContact CB-CG 4.49Å
50C95.4Very high95.3Very high9 Ų953.2 Ų53.26%0.06126%0.26CS..Hα-helixtrans-64.9-42.4174.7-59.70000111.6C47 L53 A54C47-C50 HydrophobicContact CB-CB 4.02Å; C47-C50 WeakPolarHBondContact CB-SG 3.45Å; C47-C50 WeakPolarHBondContact O-CB 3.29Å; C47-C50 PolarHBondContact O-N 3.27Å; C47-C50 PolarHBondContact SG-SG 2.83Å; C50-L53 PolarHBondContact O-N 2.74Å; C50-A54 PolarHBondContact O-N 3.08Å
51R93.5Very high95.2Very high155 Ų15553.4 Ų53.459%0.58526%0.262SS*.Hα-helixtrans-62.9-42.6176.6-68.2-167.5-63.9-85.62.9112.5P45 W46 C47 G48 L53 A54P45-R51 PolarHBondContact O-NH1 3.49Å; W46-R51 PolarHBondContact O-NH1 3.3Å; C47-R51 PolarHBondContact O-N 3.28Å; G48-R51 PolarHBondContact O-N 3.47Å; R51-L53 VanDerWaalsContact C-N 3.27Å; R51-L53 PolarHBondContact O-N 3.04Å; R51-A54 WeakPolarHBondContact O-CB 3.41Å; R51-A54 PolarHBondContact O-N 2.96Å
52R94Very high94.9Very high182 Ų18258.5 Ų58.569%0.68728%0.281SS*.Hα-helixtrans-65.2-29176.9-75.3-171.3-73.3168.8-7.6113.6G48 F49G48-R52 PolarHBondContact O-N 3.04Å; G48-R52 VanDerWaalsContact O-N 3.14Å; F49-R52 PolarHBondContact O-N 3.4Å
53L95.2Very high94.6Very high6 Ų662 Ų623%0.03130%0.299CS..Hα-helixtrans-76.3-20.4178179.562.4000113Q41 F49 C50 R51 G55 T56 Y57 P94 I96 R111 L116Q41-L53 HydrophobicContact CG-CD2 4.4Å; F49-L53 WeakPolarHBondContact O-CB 3.3Å; F49-L53 PolarHBondContact O-N 3.31Å; F49-L53 VanDerWaalsContact O-N 3.15Å; C50-L53 PolarHBondContact O-N 2.74Å; R51-L53 VanDerWaalsContact C-N 3.27Å; R51-L53 PolarHBondContact O-N 3.04Å; L53-G55 PolarHBondContact O-N 3.45Å; L53-T56 WeakPolarHBondContact CD1-OG1 3.43Å; L53-T56 PolarHBondContact O-N 2.92Å; L53-T56 PolarHBondContact O-OG1 3.48Å; L53-Y57 VanDerWaalsContact O-CB 3.29Å; L53-Y57 WeakPolarHBondContact O-CB 3.43Å; L53-Y57 PolarHBondContact O-N 3.01Å; L53-P94 HydrophobicContact CD2-CB 3.93Å; L53-P94 HydrophobicContact CD2-CG 3.8Å; L53-I96 HydrophobicContact CD2-CD1 3.66Å; L53-I96 HydrophobicContact CD2-CG1 4.29Å; L53-R111 HydrophobicContact CD1-CB 3.82Å; L53-R111 HydrophobicContact CD1-CG 4.34Å; L53-L116 HydrophobicContact CD1-CD1 4.33Å
54A92.6Very high94.4Very high33 Ų3360.2 Ų60.227%0.27329%0.292SS..Hα-helixtrans-54.2-48.9-169.700000113.2C50 R51 Y57 E58C50-A54 PolarHBondContact O-N 3.08Å; R51-A54 WeakPolarHBondContact O-CB 3.41Å; R51-A54 PolarHBondContact O-N 2.96Å; A54-Y57 PolarHBondContact O-N 3.26Å; A54-E58 WeakPolarHBondContact O-CG 3.34Å; A54-E58 PolarHBondContact O-N 2.91Å
55G93.4Very high94Very high46 Ų4663 Ų6347%0.47431%0.306SS..Hα-helixtrans-63.5-45.1-17900000113.6L53 Y57 E58 E59L53-G55 PolarHBondContact O-N 3.45Å; G55-Y57 VanDerWaalsContact C-N 3.28Å; G55-Y57 PolarHBondContact O-N 2.91Å; G55-E58 PolarHBondContact O-N 3.38Å; G55-E59 PolarHBondContact O-N 2.87Å; G55-E59 VanDerWaalsContact O-N 3.12Å
56T94.7Very high93.7Very high45 Ų4566 Ų6628%0.27631%0.314SS..Hα-helixtrans-69-29.7177.452.80000112L53 A60 V113L53-T56 WeakPolarHBondContact CD1-OG1 3.43Å; L53-T56 PolarHBondContact O-N 2.92Å; L53-T56 PolarHBondContact O-OG1 3.48Å; T56-A60 WeakPolarHBondContact O-CB 3.47Å; T56-A60 PolarHBondContact O-N 3.37Å; T56-V113 HydrophobicContact CG2-CG2 4.25Å
57Y96.7Very high93.4Very high3 Ų358.5 Ų58.51%0.01229%0.288CS..Hα-helixtrans-73.2-38.5176.9-158-115.6000112.7V22 L39 Q41 L53 A54 G55 A60 S61 V73 A74 I96 L116V22-Y57 HydrophobicContact CG1-CD1 3.88Å; V22-Y57 HydrophobicContact CG1-CE1 3.73Å; V22-Y57 HydrophobicContact CG2-CD1 3.99Å; V22-Y57 HydrophobicContact CG2-CE1 4.45Å; L39-Y57 VanDerWaalsContact C-OH 3.3Å; L39-Y57 HydrophobicContact CD2-CE2 3.91Å; L39-Y57 HydrophobicContact CG-CE2 4.25Å; L39-Y57 PolarHBondContact O-OH 3.44Å; Q41-Y57 HydrophobicContact CB-CD1 4.39Å; Q41-Y57 HydrophobicContact CB-CE1 3.69Å; Q41-Y57 HydrophobicContact CB-CE2 4.25Å; Q41-Y57 PolarHBondContact N-OH 2.86Å; L53-Y57 VanDerWaalsContact O-CB 3.29Å; L53-Y57 WeakPolarHBondContact O-CB 3.43Å; L53-Y57 PolarHBondContact O-N 3.01Å; A54-Y57 PolarHBondContact O-N 3.26Å; G55-Y57 VanDerWaalsContact C-N 3.28Å; G55-Y57 PolarHBondContact O-N 2.91Å; Y57-A60 PolarHBondContact O-N 3.32Å; Y57-S61 WeakPolarHBondContact O-CB 3.4Å; Y57-S61 PolarHBondContact O-N 3.03Å; Y57-V73 HydrophobicContact CD1-CG1 3.96Å; Y57-V73 HydrophobicContact CE1-CG1 3.37Å; Y57-V73 HydrophobicContact CE2-CG1 4.05Å; Y57-V73 VanDerWaalsContact CZ-CG1 3.41Å; Y57-A74 WeakPolarHBondContact CE1-O 3.46Å; Y57-A74 PolarHBondContact OH-O 2.96Å; Y57-A74 VanDerWaalsContact OH-O 3.04Å; Y57-I96 HydrophobicContact CE2-CD1 4.48Å; Y57-I96 HydrophobicContact CE2-CG2 4.24Å; Y57-L116 HydrophobicContact CD2-CD1 4.02Å
58E94.7Very high92.8Very high86 Ų8667.3 Ų67.340%0.40233%0.328SS..Hα-helixtrans-65-38.3172-75.8175.8-169.100112.2V22 A54 G55 S61 R62V22-E58 HydrophobicContact CG2-CG 3.98Å; A54-E58 WeakPolarHBondContact O-CG 3.34Å; A54-E58 PolarHBondContact O-N 2.91Å; G55-E58 PolarHBondContact O-N 3.38Å; E58-S61 VanDerWaalsContact O-CB 3.29Å; E58-S61 WeakPolarHBondContact O-CB 3.46Å; E58-S61 PolarHBondContact O-N 3.47Å; E58-R62 PolarHBondContact O-N 2.95Å; E58-R62 VanDerWaalsContact O-N 3.08Å
59E94Very high92.4Very high90 Ų9070 Ų7042%0.42134%0.341SS..Hα-helixtrans-66.9-42.9174.8-168.817816700112.1G55 S61 R62 I63 V113G55-E59 PolarHBondContact O-N 2.87Å; G55-E59 VanDerWaalsContact O-N 3.12Å; E59-S61 VanDerWaalsContact C-N 3.27Å; E59-S61 PolarHBondContact O-N 2.86Å; E59-R62 PolarHBondContact O-N 2.67Å; E59-I63 PolarHBondContact O-N 3.42Å; E59-V113 HydrophobicContact CB-CG1 4.36Å; E59-V113 HydrophobicContact CB-CG2 3.95Å; E59-V113 HydrophobicContact CG-CG1 3.98Å; E59-V113 HydrophobicContact CG-CG2 4.04Å
60A95.1Very high92.2Very high0 Ų066.6 Ų66.60%033%0.332CS..Hα-helixtrans-60-38.5171.500000111.7T56 Y57 I63 L64 L116 V117T56-A60 WeakPolarHBondContact O-CB 3.47Å; T56-A60 PolarHBondContact O-N 3.37Å; Y57-A60 PolarHBondContact O-N 3.32Å; A60-I63 PolarHBondContact O-N 3.15Å; A60-L64 VanDerWaalsContact O-CB 3.29Å; A60-L64 WeakPolarHBondContact O-CB 3.3Å; A60-L64 VanDerWaalsContact O-CG 3.24Å; A60-L64 WeakPolarHBondContact O-CG 3.26Å; A60-L64 PolarHBondContact O-N 3.27Å; A60-L116 HydrophobicContact CB-CB 4.02Å; A60-L116 HydrophobicContact CB-CD1 4.13Å; A60-V117 HydrophobicContact CB-CG2 4.12Å
61S95.2Very high92.1Very high4 Ų466.2 Ų66.23%0.02833%0.33CS..Hα-helixtrans-56.7-48.5174.6-1760000112.8Y57 E58 E59 I63 L64 L65Y57-S61 WeakPolarHBondContact O-CB 3.4Å; Y57-S61 PolarHBondContact O-N 3.03Å; E58-S61 VanDerWaalsContact O-CB 3.29Å; E58-S61 WeakPolarHBondContact O-CB 3.46Å; E58-S61 PolarHBondContact O-N 3.47Å; E59-S61 VanDerWaalsContact C-N 3.27Å; E59-S61 PolarHBondContact O-N 2.86Å; S61-I63 VanDerWaalsContact C-N 3.33Å; S61-I63 PolarHBondContact O-N 2.79Å; S61-L64 PolarHBondContact O-N 3.48Å; S61-L65 WeakPolarHBondContact O-CB 3.27Å; S61-L65 PolarHBondContact O-N 3.38Å
62R92.7Very high92.1Very high115 Ų11561.9 Ų61.943%0.43432%0.315SS..Hα-helixtrans-56.4-46.7176.4-76.6179.3-127112.54.2112.1C20 E58 E59 H66C20-R62 HydrophobicContact CB-CB 4.27Å; C20-R62 HydrophobicContact CB-CG 3.45Å; C20-R62 VanDerWaalsContact CB-CG 3.45Å; E58-R62 PolarHBondContact O-N 2.95Å; E58-R62 VanDerWaalsContact O-N 3.08Å; E59-R62 PolarHBondContact O-N 2.67Å; R62-H66 PolarHBondContact O-ND1 3.05Å
63I92.2Very high92.2Very high75 Ų7553.3 Ų53.339%0.38528%0.283SS..Hα-helixtrans-67.4-44.8-178.3-62.6168000110.7E59 A60 S61 L65 H66 V113 V117E59-I63 PolarHBondContact O-N 3.42Å; A60-I63 PolarHBondContact O-N 3.15Å; S61-I63 VanDerWaalsContact C-N 3.33Å; S61-I63 PolarHBondContact O-N 2.79Å; I63-L65 PolarHBondContact O-N 3.46Å; I63-H66 PolarHBondContact O-N 2.97Å; I63-V113 HydrophobicContact CD1-CG1 3.57Å; I63-V117 HydrophobicContact CB-CG2 3.99Å; I63-V117 HydrophobicContact CD1-CG2 4.1Å; I63-V117 HydrophobicContact CG2-CG1 3.83Å; I63-V117 HydrophobicContact CG2-CG2 3.91Å
64L93.8Very high92.3Very high0 Ų053 Ų530%028%0.281CS..Hα-helixtrans-71.8-26-175.5-72.5-179.5000114.1L39 A60 S61 H66 T67 I71 V73 V117 A120 Q121L39-L64 HydrophobicContact CD2-CD1 3.69Å; A60-L64 VanDerWaalsContact O-CB 3.29Å; A60-L64 WeakPolarHBondContact O-CB 3.3Å; A60-L64 VanDerWaalsContact O-CG 3.24Å; A60-L64 WeakPolarHBondContact O-CG 3.26Å; A60-L64 PolarHBondContact O-N 3.27Å; S61-L64 PolarHBondContact O-N 3.48Å; L64-H66 PolarHBondContact O-N 3Å; L64-T67 HydrophobicContact CD2-CG2 4.25Å; L64-T67 PolarHBondContact O-N 3.03Å; L64-T67 PolarHBondContact O-OG1 3Å; L64-I71 CarbonylContact C-O 3.54Å; L64-I71 HydrophobicContact CB-CB 4.19Å; L64-I71 HydrophobicContact CD2-CD1 4.15Å; L64-I71 PolarHBondContact O-N 2.81Å; L64-V73 HydrophobicContact CB-CG2 3.87Å; L64-V73 HydrophobicContact CD1-CG2 3.72Å; L64-V73 HydrophobicContact CG-CG2 4.42Å; L64-V117 HydrophobicContact CD2-CB 4.36Å; L64-V117 HydrophobicContact CD2-CG1 4.03Å; L64-V117 HydrophobicContact CD2-CG2 4.37Å; L64-V117 HydrophobicContact CG-CG2 4.2Å; L64-A120 HydrophobicContact CD1-CB 3.67Å; L64-A120 HydrophobicContact CD2-CB 3.9Å; L64-A120 HydrophobicContact CG-CB 4.46Å; L64-Q121 HydrophobicContact CD2-CG 4.27Å
65L88.6Confident92.5Very high58 Ų5855.9 Ų55.930%0.30429%0.285SS..Hα-helixtrans-67.8-28.9173.6-169.265000112.2V18 C20 S61 I63 S70V18-L65 HydrophobicContact CG1-CD2 4.35Å; C20-L65 HydrophobicContact CB-CD2 4.26Å; S61-L65 WeakPolarHBondContact O-CB 3.27Å; S61-L65 PolarHBondContact O-N 3.38Å; I63-L65 PolarHBondContact O-N 3.46Å; L65-S70 VanDerWaalsContact O-CB 3.26Å; L65-S70 WeakPolarHBondContact O-CB 3.19Å
66H88.5Confident92.7Very high134 Ų13453.7 Ų53.762%0.6226%0.263SS*.THydrogen-bonded Turntrans-94.58.6-179.2-62.889.6000113.4R62 I63 L64R62-H66 PolarHBondContact O-ND1 3.05Å; I63-H66 PolarHBondContact O-N 2.97Å; L64-H66 PolarHBondContact O-N 3Å
67T86.8Confident92.8Very high24 Ų2452.1 Ų52.115%0.14725%0.252CS..SBendtrans-79.2159.3171.261.50000111.3L64 P69 S70 Q121L64-T67 HydrophobicContact CD2-CG2 4.25Å; L64-T67 PolarHBondContact O-N 3.03Å; L64-T67 PolarHBondContact O-OG1 3Å; T67-P69 CarbonylContact C-O 3.54Å; T67-P69 CarbonylContact O-C 3.51Å; T67-P69 PolarHBondContact OG1-O 3.2Å; T67-S70 WeakPolarHBondContact O-CA 3.48Å; T67-S70 PolarHBondContact O-N 2.91Å; T67-Q121 HydrophobicContact CG2-CG 4.35Å
68E83.3Confident92.8Very high194 Ų19452.1 Ų52.191%0.90725%0.253SS*.SBendtrans-115.8110.2174.1-69.5179.9-173.500110.1
69P85.4Confident92.8Very high87 Ų8750.8 Ų50.857%0.56525%0.251SS*.SBendcis-72.5158.6-6.230.1-31.5000112.6T67T67-P69 CarbonylContact C-O 3.54Å; T67-P69 CarbonylContact O-C 3.51Å; T67-P69 PolarHBondContact OG1-O 3.2Å
70S89.4Confident92.9Very high53 Ų5351.8 Ų51.837%0.37126%0.258SS..  trans-68.6139.3-179.156.10000111.3P37 L65 T67P37-S70 WeakPolarHBondContact CG-O 3.29Å; L65-S70 VanDerWaalsContact O-CB 3.26Å; L65-S70 WeakPolarHBondContact O-CB 3.19Å; T67-S70 WeakPolarHBondContact O-CA 3.48Å; T67-S70 PolarHBondContact O-N 2.91Å
71I94.5Very high92.9Very high1 Ų154.9 Ų54.91%0.00527%0.27CS..  trans-107.3120.1175.5-58.5174.9000108.3P37 L39 L64 V73 A120 N124P37-I71 HydrophobicContact CB-CG1 4.36Å; P37-I71 HydrophobicContact CG-CG1 4.12Å; L39-I71 HydrophobicContact CB-CG2 4.28Å; L64-I71 CarbonylContact C-O 3.54Å; L64-I71 HydrophobicContact CB-CB 4.19Å; L64-I71 HydrophobicContact CD2-CD1 4.15Å; L64-I71 PolarHBondContact O-N 2.81Å; I71-V73 PolarHBondContact O-N 3.34Å; I71-A120 HydrophobicContact CD1-CB 3.94Å; I71-A120 WeakPolarHBondContact CD1-O 3.4Å; I71-N124 HydrophobicContact CD1-CB 3.53Å; I71-N124 HydrophobicContact CG1-CB 4.18Å; I71-N124 WeakPolarHBondContact CG1-ND2 3.31Å
72K93.6Very high92.7Very high63 Ų6359 Ų5927%0.27430%0.295SS..EExtended strand (participates in β ladder)trans-77126.4-179.7-64.1173.8-174.4169.70109.1F23 K35 P37 W38 L39F23-K72 HydrophobicContact CE2-CB 4.43Å; K35-K72 PolarHBondContact O-NZ 2.9Å; P37-K72 PolarHBondContact O-N 3.37Å; W38-K72 CarbonylContact C-O 3.58Å; W38-K72 VanDerWaalsContact CA-O 3.23Å; W38-K72 WeakPolarHBondContact CA-O 3.33Å; W38-K72 HydrophobicContact CD2-CB 4.02Å; W38-K72 HydrophobicContact CD2-CD 4.29Å; W38-K72 HydrophobicContact CE3-CB 3.5Å; W38-K72 VanDerWaalsContact CE3-CB 3.5Å; W38-K72 HydrophobicContact CE3-CD 4.11Å; W38-K72 HydrophobicContact CE3-CG 4.46Å; W38-K72 HydrophobicContact CH2-CB 4.29Å; W38-K72 HydrophobicContact CH2-CD 3.42Å; W38-K72 VanDerWaalsContact CH2-CD 3.42Å; W38-K72 HydrophobicContact CH2-CG 4.48Å; W38-K72 HydrophobicContact CZ2-CD 3.58Å; W38-K72 HydrophobicContact CZ3-CB 3.67Å; W38-K72 HydrophobicContact CZ3-CD 3.7Å; W38-K72 HydrophobicContact CZ3-CG 4.31Å; L39-K72 PolarHBondContact N-O 3.38Å
73V96.1Very high92.6Very high2 Ų256 Ų561%0.01230%0.3CS..EExtended strand (participates in β ladder)trans-103.3129.3178.4-176.70000109.5V22 F23 L39 Y57 L64 I71V22-V73 WeakPolarHBondContact CA-O 3.42Å; V22-V73 HydrophobicContact CG1-CG1 4.47Å; V22-V73 HydrophobicContact CG2-CG1 4.27Å; F23-V73 WeakPolarHBondContact CD2-O 3.12Å; F23-V73 PolarHBondContact N-O 3.37Å; L39-V73 HydrophobicContact CB-CG2 4.17Å; L39-V73 HydrophobicContact CD2-CG2 4.45Å; L39-V73 WeakPolarHBondContact O-CA 3.37Å; Y57-V73 HydrophobicContact CD1-CG1 3.96Å; Y57-V73 HydrophobicContact CE1-CG1 3.37Å; Y57-V73 HydrophobicContact CE2-CG1 4.05Å; Y57-V73 VanDerWaalsContact CZ-CG1 3.41Å; L64-V73 HydrophobicContact CB-CG2 3.87Å; L64-V73 HydrophobicContact CD1-CG2 3.72Å; L64-V73 HydrophobicContact CG-CG2 4.42Å; I71-V73 PolarHBondContact O-N 3.34Å
74A96.2Very high92.6Very high0 Ų052.8 Ų52.80%028%0.284CS..EExtended strand (participates in β ladder)trans-146.3162.2-169.500000111.7F23 L25 W38 L39 V40 Q41 Y57F23-A74 HydrophobicContact CB-CB 3.92Å; F23-A74 CarbonylContact O-C 3.48Å; F23-A74 WeakPolarHBondContact O-CA 3.23Å; F23-A74 WeakPolarHBondContact O-CB 3.31Å; L25-A74 HydrophobicContact CD1-CB 3.66Å; L25-A74 HydrophobicContact CD2-CB 4.11Å; L25-A74 HydrophobicContact CG-CB 3.72Å; W38-A74 HydrophobicContact CE3-CB 4.04Å; W38-A74 HydrophobicContact CZ3-CB 4.36Å; L39-A74 PolarHBondContact O-N 2.86Å; V40-A74 CarbonylContact C-O 3.58Å; V40-A74 VanDerWaalsContact CA-O 3.3Å; V40-A74 WeakPolarHBondContact CA-O 3.23Å; Q41-A74 PolarHBondContact N-O 3.37Å; Y57-A74 WeakPolarHBondContact CE1-O 3.46Å; Y57-A74 PolarHBondContact OH-O 2.96Å; Y57-A74 VanDerWaalsContact OH-O 3.04Å
75R97.1Very high92.5Very high94 Ų9453.1 Ų53.136%0.35529%0.287SS..EExtended strand (participates in β ladder)trans-133.3150.9174.168.5-176.7-168.6-166-2.3110.5V22 F23 E24 L25 Q41 Y43V22-R75 HydrophobicContact CG1-CB 4.09Å; V22-R75 HydrophobicContact CG1-CG 4Å; F23-R75 PolarHBondContact O-N 3.26Å; E24-R75 WeakPolarHBondContact OE2-CG 3.28Å; E24-R75 IonicContact OE2-CZ 3.39Å; E24-R75 IonicContact OE2-NE 2.68Å; E24-R75 PolarHBondContact OE2-NE 3.48Å; E24-R75 IonicContact OE2-NH2 3.22Å; E24-R75 PolarHBondContact OE2-NH2 2.93Å; L25-R75 PolarHBondContact N-O 3.43Å; Q41-R75 HydrophobicContact CB-CB 4.09Å; Q41-R75 CarbonylContact O-C 3.48Å; Q41-R75 VanDerWaalsContact O-CA 3.23Å; Q41-R75 WeakPolarHBondContact O-CA 3.27Å; Y43-R75 HydrophobicContact CD1-CB 3.91Å; Y43-R75 HydrophobicContact CD1-CG 4.23Å; Y43-R75 HydrophobicContact CE1-CB 3.96Å; Y43-R75 HydrophobicContact CE1-CG 3.79Å
76L97.1Very high92.6Very high0 Ų058.3 Ų58.30%031%0.307CS..EExtended strand (participates in β ladder)trans-138.1126.2-176.8-178.1142000109.9L25 F29 V40 Q41 F42 Y43 A78 Y81 I84L25-L76 HydrophobicContact CB-CB 4.1Å; L25-L76 HydrophobicContact CB-CD1 3.88Å; L25-L76 HydrophobicContact CB-CG 4.38Å; F29-L76 HydrophobicContact CD1-CD1 4.32Å; V40-L76 HydrophobicContact CG1-CB 4.26Å; Q41-L76 PolarHBondContact O-N 2.91Å; F42-L76 HydrophobicContact CD1-CB 4.5Å; F42-L76 HydrophobicContact CD1-CD2 3.7Å; F42-L76 HydrophobicContact CE1-CD2 3.86Å; Y43-L76 VanDerWaalsContact CD1-C 3.46Å; Y43-L76 VanDerWaalsContact CD1-O 3.23Å; Y43-L76 WeakPolarHBondContact CD1-O 3.24Å; Y43-L76 PolarHBondContact N-O 2.84Å; Y43-L76 VanDerWaalsContact N-O 3.07Å; L76-A78 HydrophobicContact CD2-CB 4.49Å; L76-A78 PolarHBondContact O-N 3.37Å; L76-Y81 HydrophobicContact CD1-CD2 4.48Å; L76-Y81 HydrophobicContact CD2-CD2 4.34Å; L76-Y81 HydrophobicContact CG-CD2 4.04Å; L76-I84 HydrophobicContact CD1-CB 4.46Å; L76-I84 HydrophobicContact CD1-CD1 4Å; L76-I84 HydrophobicContact CD1-CG2 4.04Å
77D97.6Very high92.6Very high11 Ų1152.4 Ų52.46%0.05928%0.279CS..EExtended strand (participates in β ladder)trans-69.3100.9172.8-170.8-22.4000109.9Y43 P45 T79 I80 Y81Y43-D77 HydrophobicContact CE1-CB 4.21Å; Y43-D77 VanDerWaalsContact CE1-N 3.35Å; Y43-D77 HydrophobicContact CE2-CB 4.49Å; P45-D77 WeakPolarHBondContact CD-OD2 3.35Å; P45-D77 WeakPolarHBondContact CG-OD2 3.33Å; D77-T79 PolarHBondContact O-N 2.85Å; D77-T79 WeakPolarHBondContact OD1-CA 3.37Å; D77-T79 VanDerWaalsContact OD1-CB 3.31Å; D77-T79 WeakPolarHBondContact OD1-CB 3.48Å; D77-T79 PolarHBondContact OD1-N 3.24Å; D77-T79 PolarHBondContact OD1-OG1 2.99Å; D77-T79 PolarHBondContact OD2-OG1 3.29Å; D77-I80 HydrophobicContact CB-CB 4.42Å; D77-I80 HydrophobicContact CB-CD1 4.17Å; D77-I80 HydrophobicContact CB-CG1 4.35Å; D77-I80 PolarHBondContact O-N 2.9Å; D77-I80 PolarHBondContact OD1-N 2.86Å; D77-I80 WeakPolarHBondContact OD2-CD1 3.33Å; D77-Y81 VanDerWaalsContact O-CD2 3.31Å; D77-Y81 WeakPolarHBondContact O-CD2 3.37Å; D77-Y81 PolarHBondContact O-N 3.44Å
78A96.6Very high92.8Very high4 Ų451.4 Ų51.43%0.03327%0.273CS..THydrogen-bonded Turntrans-75.9-8.1-177.700000113.1F42 Y43 L76 A85 F93F42-A78 HydrophobicContact CB-CB 4.21Å; F42-A78 HydrophobicContact CD1-CB 4.36Å; Y43-A78 PolarHBondContact O-N 3.46Å; L76-A78 HydrophobicContact CD2-CB 4.49Å; L76-A78 PolarHBondContact O-N 3.37Å; A78-A85 HydrophobicContact CB-CB 3.76Å; A78-F93 HydrophobicContact CB-CD1 4.31Å; A78-F93 HydrophobicContact CB-CE1 3.34Å; A78-F93 HydrophobicContact CB-CZ 3.79Å
79T95.1Very high93.1Very high57 Ų5745.1 Ų45.135%0.3525%0.246SC..THydrogen-bonded Turntrans-82.7-30.3173.472.40000112A44 D77 T82 F93A44-T79 HydrophobicContact CB-CG2 3.49Å; A44-T79 VanDerWaalsContact CB-CG2 3.49Å; D77-T79 PolarHBondContact O-N 2.85Å; D77-T79 WeakPolarHBondContact OD1-CA 3.37Å; D77-T79 VanDerWaalsContact OD1-CB 3.31Å; D77-T79 WeakPolarHBondContact OD1-CB 3.48Å; D77-T79 PolarHBondContact OD1-N 3.24Å; D77-T79 PolarHBondContact OD1-OG1 2.99Å; D77-T79 PolarHBondContact OD2-OG1 3.29Å; T79-T82 WeakPolarHBondContact O-CG2 3.28Å; T79-F93 HydrophobicContact CG2-CE2 4.49Å
80I95.7Very high93.4Very high111 Ų11142 Ų4257%0.56923%0.225SC*.THydrogen-bonded Turntrans-84.7-51.2173.6-60.6174.1000109.6D77 T82D77-I80 HydrophobicContact CB-CB 4.42Å; D77-I80 HydrophobicContact CB-CD1 4.17Å; D77-I80 HydrophobicContact CB-CG1 4.35Å; D77-I80 PolarHBondContact O-N 2.9Å; D77-I80 PolarHBondContact OD1-N 2.86Å; D77-I80 WeakPolarHBondContact OD2-CD1 3.33Å; I80-T82 VanDerWaalsContact C-N 3.34Å; I80-T82 PolarHBondContact O-N 3.4Å
81Y94.6Very high93.4Very high65 Ų6549.2 Ų49.226%0.25524%0.244SC..  trans-96.653.2-174.4-53.8-67.6000112.4D26 S27 L76 D77 G83 I84 A85D26-Y81 HydrophobicContact CB-CE1 4.46Å; D26-Y81 HydrophobicContact CB-CE2 4.4Å; D26-Y81 WeakPolarHBondContact CB-OH 3.18Å; S27-Y81 VanDerWaalsContact N-CE1 3.34Å; L76-Y81 HydrophobicContact CD1-CD2 4.48Å; L76-Y81 HydrophobicContact CD2-CD2 4.34Å; L76-Y81 HydrophobicContact CG-CD2 4.04Å; D77-Y81 VanDerWaalsContact O-CD2 3.31Å; D77-Y81 WeakPolarHBondContact O-CD2 3.37Å; D77-Y81 PolarHBondContact O-N 3.44Å; Y81-G83 PolarHBondContact O-N 3.39Å; Y81-G83 VanDerWaalsContact O-N 3.15Å; Y81-I84 PolarHBondContact O-N 3.39Å; Y81-A85 PolarHBondContact O-N 2.86Å; Y81-A85 VanDerWaalsContact O-N 3.09Å
82T92.3Very high93.3Very high90 Ų9050.6 Ų50.655%0.55226%0.259SS*.Hα-helixtrans-57.1-31.4-17658.70000113.7T79 I80 A85 K86T79-T82 WeakPolarHBondContact O-CG2 3.28Å; I80-T82 VanDerWaalsContact C-N 3.34Å; I80-T82 PolarHBondContact O-N 3.4Å; T82-A85 PolarHBondContact O-N 2.96Å; T82-K86 WeakPolarHBondContact O-CB 3.26Å; T82-K86 PolarHBondContact O-N 3.18Å
83G90.1Very high93.3Very high53 Ų5350.6 Ų50.655%0.54626%0.259SS..Hα-helixtrans-62.5-42.1175.300000113Y81 M87Y81-G83 PolarHBondContact O-N 3.39Å; Y81-G83 VanDerWaalsContact O-N 3.15Å; G83-M87 WeakPolarHBondContact O-CB 3.33Å; G83-M87 PolarHBondContact O-N 3.02Å; G83-M87 VanDerWaalsContact O-N 3.08Å
84I91.7Very high93.3Very high8 Ų850.7 Ų50.74%0.04126%0.26CS..Hα-helixtrans-69.7-44.5175.7-57.3-178.3000109.6F29 I30 F42 L76 Y81 K86 M87 F88F29-I84 HydrophobicContact CD1-CG2 4.28Å; I30-I84 HydrophobicContact CD1-CD1 4.01Å; I30-I84 HydrophobicContact CD1-CG1 3.68Å; I30-I84 HydrophobicContact CG1-CD1 4.13Å; I30-I84 HydrophobicContact CG1-CG1 4.12Å; F42-I84 HydrophobicContact CE1-CG2 4.15Å; L76-I84 HydrophobicContact CD1-CB 4.46Å; L76-I84 HydrophobicContact CD1-CD1 4Å; L76-I84 HydrophobicContact CD1-CG2 4.04Å; Y81-I84 PolarHBondContact O-N 3.39Å; I84-K86 VanDerWaalsContact C-N 3.33Å; I84-K86 PolarHBondContact O-N 3.44Å; I84-M87 WeakPolarHBondContact O-CB 3.49Å; I84-M87 PolarHBondContact O-N 3.3Å; I84-M87 VanDerWaalsContact O-N 3.16Å; I84-F88 HydrophobicContact CG2-CD2 3.94Å; I84-F88 HydrophobicContact CG2-CE2 3.93Å; I84-F88 WeakPolarHBondContact O-CD2 3.44Å; I84-F88 PolarHBondContact O-N 3.45Å
85A92.5Very high93.3Very high7 Ų751.8 Ų51.86%0.05827%0.267CS..Hα-helixtrans-57-45177.100000112.1A78 Y81 T82 F88 D89 V90A78-A85 HydrophobicContact CB-CB 3.76Å; Y81-A85 PolarHBondContact O-N 2.86Å; Y81-A85 VanDerWaalsContact O-N 3.09Å; T82-A85 PolarHBondContact O-N 2.96Å; A85-F88 PolarHBondContact O-N 3.02Å; A85-D89 PolarHBondContact O-N 3.15Å; A85-V90 HydrophobicContact CB-CB 4.05Å; A85-V90 HydrophobicContact CB-CG2 4.41Å; A85-V90 WeakPolarHBondContact O-CB 3.25Å; A85-V90 WeakPolarHBondContact O-CG2 3.23Å; A85-V90 PolarHBondContact O-N 2.93Å
86K91.1Very high93.4Very high166 Ų16647.4 Ų47.472%0.72225%0.25SS*.Hα-helixtrans-64.6-39.9176.3-176.6174.5-179.81740112.5T82 I84 F88 D89 R580T82-K86 WeakPolarHBondContact O-CB 3.26Å; T82-K86 PolarHBondContact O-N 3.18Å; I84-K86 VanDerWaalsContact C-N 3.33Å; I84-K86 PolarHBondContact O-N 3.44Å; K86-F88 PolarHBondContact O-N 3.13Å; K86-D89 PolarHBondContact O-N 3.32Å; K86-D89 VanDerWaalsContact O-N 3.09Å; K86-R580 PolarHBondContact O-NH1 3.04Å
87M88.4Confident93.3Very high10 Ų1047.6 Ų47.65%0.04925%0.251CS..Hα-helixtrans-58.2-36.717817718016200112.1G83 I84 R580 I581 S584G83-M87 WeakPolarHBondContact O-CB 3.33Å; G83-M87 PolarHBondContact O-N 3.02Å; G83-M87 VanDerWaalsContact O-N 3.08Å; I84-M87 WeakPolarHBondContact O-CB 3.49Å; I84-M87 PolarHBondContact O-N 3.3Å; I84-M87 VanDerWaalsContact O-N 3.16Å; M87-R580 HydrophobicContact CG-CB 4.25Å; M87-R580 PolarHBondContact O-NH1 2.91Å; M87-I581 HydrophobicContact CE-CB 3.71Å; M87-I581 HydrophobicContact CE-CD1 4.39Å; M87-I581 HydrophobicContact CE-CG1 3.08Å; M87-I581 HydrophobicContact CE-CG2 4.34Å; M87-S584 VanDerWaalsContact SD-CB 3.56Å; M87-S584 PolarHBondContact SD-OG 2.85Å
88F90.1Very high93.2Very high3 Ų347.2 Ų47.21%0.01325%0.249CC..THydrogen-bonded Turntrans-94.29.6176.3-70.5-73.7000115F29 I33 F42 I84 A85 K86 V90 K97 I99 L577F29-F88 HydrophobicContact CE1-CE2 4.23Å; I33-F88 HydrophobicContact CD1-CE1 4.38Å; I33-F88 HydrophobicContact CD1-CE2 4.5Å; I33-F88 HydrophobicContact CD1-CZ 3.58Å; F42-F88 HydrophobicContact CE1-CD2 4.2Å; F42-F88 HydrophobicContact CE2-CB 4.47Å; F42-F88 HydrophobicContact CZ-CB 4.03Å; F42-F88 AromaticContact CZ-CD2 3.68Å; F42-F88 HydrophobicContact CZ-CD2 3.68Å; F42-F88 HydrophobicContact CZ-CE2 4.44Å; F42-F88 AromaticContact CZ-CG 3.97Å; F42-F88 HydrophobicContact CZ-CG 3.97Å; I84-F88 HydrophobicContact CG2-CD2 3.94Å; I84-F88 HydrophobicContact CG2-CE2 3.93Å; I84-F88 WeakPolarHBondContact O-CD2 3.44Å; I84-F88 PolarHBondContact O-N 3.45Å; A85-F88 PolarHBondContact O-N 3.02Å; K86-F88 PolarHBondContact O-N 3.13Å; F88-V90 HydrophobicContact CB-CG2 4.27Å; F88-V90 PolarHBondContact O-N 2.91Å; F88-K97 HydrophobicContact CB-CD 3.88Å; F88-K97 WeakPolarHBondContact O-CE 3.46Å; F88-K97 PolarHBondContact O-NZ 3.47Å; F88-I99 HydrophobicContact CD1-CD1 3.96Å; F88-I99 HydrophobicContact CD1-CG1 4.31Å; F88-I99 HydrophobicContact CD2-CD1 4.33Å; F88-I99 HydrophobicContact CE1-CD1 3.66Å; F88-I99 HydrophobicContact CE1-CG1 3.93Å; F88-I99 HydrophobicContact CE1-CG2 3.99Å; F88-I99 HydrophobicContact CE2-CD1 4.06Å; F88-I99 HydrophobicContact CG-CD1 4.29Å; F88-I99 HydrophobicContact CZ-CD1 3.73Å; F88-I99 HydrophobicContact CZ-CG1 4.37Å; F88-I99 HydrophobicContact CZ-CG2 4.03Å; F88-L577 HydrophobicContact CD1-CD1 4.47Å; F88-L577 HydrophobicContact CE1-CD1 4.33Å
89D89Confident93.1Very high63 Ų6347 Ų4734%0.33725%0.247SC..THydrogen-bonded Turntrans56.344.3-177.9-159.739.5000114.2A85 K86 R91 V571 Y572A85-D89 PolarHBondContact O-N 3.15Å; K86-D89 PolarHBondContact O-N 3.32Å; K86-D89 VanDerWaalsContact O-N 3.09Å; D89-R91 PolarHBondContact O-N 3.33Å; D89-V571 HydrophobicContact CB-CG1 4.09Å; D89-Y572 HydrophobicContact CB-CE2 4.2Å; D89-Y572 WeakPolarHBondContact CB-OH 3.44Å
90V91.5Very high92.9Very high22 Ų2247.1 Ų47.113%0.13325%0.245CC..  trans-78112.9175177.10000109.2F42 A85 F88 F93 T95F42-V90 HydrophobicContact CB-CG1 3.87Å; F42-V90 HydrophobicContact CB-CG2 3.91Å; F42-V90 HydrophobicContact CD1-CG2 3.67Å; F42-V90 HydrophobicContact CD2-CG2 3.77Å; F42-V90 HydrophobicContact CE1-CG2 4.09Å; F42-V90 HydrophobicContact CE2-CG2 4.2Å; F42-V90 HydrophobicContact CG-CG1 4.38Å; F42-V90 HydrophobicContact CG-CG2 3.49Å; F42-V90 VanDerWaalsContact CG-CG2 3.49Å; F42-V90 HydrophobicContact CZ-CG2 4.34Å; A85-V90 HydrophobicContact CB-CB 4.05Å; A85-V90 HydrophobicContact CB-CG2 4.41Å; A85-V90 WeakPolarHBondContact O-CB 3.25Å; A85-V90 WeakPolarHBondContact O-CG2 3.23Å; A85-V90 PolarHBondContact O-N 2.93Å; F88-V90 HydrophobicContact CB-CG2 4.27Å; F88-V90 PolarHBondContact O-N 2.91Å; V90-F93 HydrophobicContact CG1-CD1 4.19Å; V90-F93 HydrophobicContact CG1-CE1 3.66Å; V90-T95 HydrophobicContact CG1-CG2 4.48Å; V90-T95 HydrophobicContact CG2-CG2 4.19Å
91R90.5Very high92.6Very high204 Ų20442 Ų4277%0.7722%0.221SC*.  trans-105.4-8.7-176.8-59.7-173.5-64176.6-1.4114.5D89D89-R91 PolarHBondContact O-N 3.33Å
92G91.9Very high92.1Very high30 Ų3040.3 Ų40.331%0.30922%0.217SC..SBendtrans-173.8177.5-177.700000112.3T95G92-T95 PolarHBondContact O-OG1 3.23Å
93F94.6Very high91.9Very high62 Ų6238.3 Ų38.327%0.27220%0.204SC..SBendtrans-130.3142.3-170.2-50.4-59.1000113.6A44 W46 C47 A78 T79 V90A44-F93 HydrophobicContact CB-CD2 3.5Å; A44-F93 HydrophobicContact CB-CE2 3.79Å; A44-F93 HydrophobicContact CB-CG 3.99Å; W46-F93 HydrophobicContact CH2-CD2 4.19Å; W46-F93 HydrophobicContact CZ2-CD2 4.38Å; W46-F93 HydrophobicContact CZ2-CE2 4.36Å; C47-F93 HydrophobicContact CB-CB 4.36Å; A78-F93 HydrophobicContact CB-CD1 4.31Å; A78-F93 HydrophobicContact CB-CE1 3.34Å; A78-F93 HydrophobicContact CB-CZ 3.79Å; T79-F93 HydrophobicContact CG2-CE2 4.49Å; V90-F93 HydrophobicContact CG1-CD1 4.19Å; V90-F93 HydrophobicContact CG1-CE1 3.66Å
94P96.2Very high91.9Very high5 Ų536.1 Ų36.13%0.03218%0.18CC..SBendcis-73.6138.1-1125.7-28000111.4Q41 F42 F49 L53 R111Q41-P94 HydrophobicContact CG-CB 4.17Å; F42-P94 WeakPolarHBondContact O-CA 3.48Å; F49-P94 HydrophobicContact CB-CG 4.49Å; L53-P94 HydrophobicContact CD2-CB 3.93Å; L53-P94 HydrophobicContact CD2-CG 3.8Å; P94-R111 PolarHBondContact O-NH2 3.42Å
95T96.2Very high91.9Very high23 Ų2336.3 Ų36.314%0.14118%0.181CC..EExtended strand (participates in β ladder)trans-105.6125.9163.7-69.10000107.9F42 V90 G92 K97 T106F42-T95 PolarHBondContact N-O 3.38Å; F42-T95 PolarHBondContact O-N 3.21Å; F42-T95 VanDerWaalsContact O-N 3.11Å; V90-T95 HydrophobicContact CG1-CG2 4.48Å; V90-T95 HydrophobicContact CG2-CG2 4.19Å; G92-T95 PolarHBondContact O-OG1 3.23Å; T95-K97 HydrophobicContact CG2-CD 4.27Å; T95-K97 HydrophobicContact CG2-CG 4.12Å; T95-T106 HydrophobicContact CG2-CG2 4.31Å
96I97.3Very high91.8Very high2 Ų237.9 Ų37.91%0.0119%0.19CC..EExtended strand (participates in β ladder)trans-111.7131.7179.8-55.8168.4000107.7L39 V40 Q41 L53 Y57 F107 L116L39-I96 HydrophobicContact CD1-CG2 3.73Å; L39-I96 HydrophobicContact CG-CG2 4.03Å; V40-I96 WeakPolarHBondContact O-CA 3.46Å; Q41-I96 HydrophobicContact CG-CG1 4.46Å; L53-I96 HydrophobicContact CD2-CD1 3.66Å; L53-I96 HydrophobicContact CD2-CG1 4.29Å; Y57-I96 HydrophobicContact CE2-CD1 4.48Å; Y57-I96 HydrophobicContact CE2-CG2 4.24Å; I96-F107 HydrophobicContact CB-CB 4.01Å; I96-F107 HydrophobicContact CB-CD1 4.49Å; I96-F107 HydrophobicContact CD1-CD1 4.15Å; I96-F107 HydrophobicContact CG2-CB 4.21Å; I96-F107 PolarHBondContact O-N 3.3Å; I96-L116 HydrophobicContact CD1-CD2 3.54Å; I96-L116 HydrophobicContact CG2-CD2 4.32Å
97K95.9Very high91.8Very high3 Ų331.1 Ų31.11%0.01316%0.16CC..EExtended strand (participates in β ladder)trans-133.6139.4179.8-69.2175-178.4-88.30111.4V40 F42 F88 T95 I99 Y105 T106V40-K97 PolarHBondContact N-O 3Å; V40-K97 PolarHBondContact O-N 2.89Å; F42-K97 HydrophobicContact CD2-CD 4.39Å; F42-K97 HydrophobicContact CE2-CB 4.22Å; F42-K97 HydrophobicContact CE2-CD 3.93Å; F42-K97 HydrophobicContact CE2-CG 4.36Å; F88-K97 HydrophobicContact CB-CD 3.88Å; F88-K97 WeakPolarHBondContact O-CE 3.46Å; F88-K97 PolarHBondContact O-NZ 3.47Å; T95-K97 HydrophobicContact CG2-CD 4.27Å; T95-K97 HydrophobicContact CG2-CG 4.12Å; K97-I99 HydrophobicContact CB-CD1 4.42Å; K97-I99 HydrophobicContact CB-CG1 4.16Å; K97-Y105 CarbonylContact C-O 3.4Å; K97-Y105 WeakPolarHBondContact CA-O 3.13Å; K97-Y105 WeakPolarHBondContact CB-O 3.47Å; K97-T106 HydrophobicContact CG-CG2 4.42Å; K97-T106 PolarHBondContact NZ-OG1 2.77Å
98Y95.8Very high91.6Very high4 Ų434 Ų342%0.01618%0.178CC..EExtended strand (participates in β ladder)trans-79.6136.5158.9174.7-86.9000108.2P37 W38 N100 S104 Y105 A123 N124P37-Y98 HydrophobicContact CB-CE2 3.61Å; P37-Y98 VanDerWaalsContact CB-OH 3.31Å; P37-Y98 WeakPolarHBondContact CB-OH 3.28Å; W38-Y98 CarbonylContact O-C 3.54Å; W38-Y98 VanDerWaalsContact O-CA 3.29Å; W38-Y98 WeakPolarHBondContact O-CA 3.07Å; Y98-N100 HydrophobicContact CE1-CB 3.63Å; Y98-N100 WeakPolarHBondContact OH-CB 3.5Å; Y98-N100 PolarHBondContact OH-ND2 3.35Å; Y98-N100 VanDerWaalsContact OH-ND2 3.15Å; Y98-S104 CarbonylContact O-C 3.55Å; Y98-S104 WeakPolarHBondContact O-CA 3.33Å; Y98-S104 PolarHBondContact O-OG 3.4Å; Y98-S104 VanDerWaalsContact O-OG 3.14Å; Y98-Y105 AromaticContact CD1-CD2 3.86Å; Y98-Y105 HydrophobicContact CD1-CD2 3.86Å; Y98-Y105 HydrophobicContact CD1-CE2 4.48Å; Y98-Y105 PolarHBondContact N-O 2.86Å; Y98-Y105 PolarHBondContact O-N 3.29Å; Y98-A123 HydrophobicContact CD1-CB 3.65Å; Y98-A123 HydrophobicContact CD2-CB 3.65Å; Y98-A123 HydrophobicContact CE1-CB 4.08Å; Y98-A123 HydrophobicContact CE2-CB 4.09Å; Y98-A123 HydrophobicContact CG-CB 3.4Å; Y98-A123 VanDerWaalsContact CG-CB 3.4Å; Y98-N124 HydrophobicContact CE2-CB 3.74Å; Y98-N124 WeakPolarHBondContact OH-CA 3.47Å; Y98-N124 PolarHBondContact OH-OD1 3.04Å
99I94.4Very high91.2Very high0 Ų035.6 Ų35.60%020%0.196CC..EExtended strand (participates in β ladder)trans-139.3123.6-178.7-58.6172.8000108.3F29 I33 W38 V40 F42 F88 K97 V103F29-I99 HydrophobicContact CE1-CD1 4.02Å; F29-I99 HydrophobicContact CZ-CD1 4.05Å; F29-I99 HydrophobicContact CZ-CG2 4.32Å; I33-I99 HydrophobicContact CD1-CG2 3.62Å; I33-I99 HydrophobicContact CG1-CG2 3.56Å; W38-I99 HydrophobicContact CB-CB 4.42Å; W38-I99 PolarHBondContact N-O 2.89Å; W38-I99 PolarHBondContact O-N 3.42Å; V40-I99 HydrophobicContact CB-CD1 4.11Å; V40-I99 HydrophobicContact CG2-CD1 3.91Å; F42-I99 HydrophobicContact CE2-CD1 4.17Å; F42-I99 HydrophobicContact CZ-CD1 4.11Å; F88-I99 HydrophobicContact CD1-CD1 3.96Å; F88-I99 HydrophobicContact CD1-CG1 4.31Å; F88-I99 HydrophobicContact CD2-CD1 4.33Å; F88-I99 HydrophobicContact CE1-CD1 3.66Å; F88-I99 HydrophobicContact CE1-CG1 3.93Å; F88-I99 HydrophobicContact CE1-CG2 3.99Å; F88-I99 HydrophobicContact CE2-CD1 4.06Å; F88-I99 HydrophobicContact CG-CD1 4.29Å; F88-I99 HydrophobicContact CZ-CD1 3.73Å; F88-I99 HydrophobicContact CZ-CG1 4.37Å; F88-I99 HydrophobicContact CZ-CG2 4.03Å; K97-I99 HydrophobicContact CB-CD1 4.42Å; K97-I99 HydrophobicContact CB-CG1 4.16Å; I99-V103 WeakPolarHBondContact CA-O 3.35Å
100N91.7Very high90.9Very high58 Ų5838.2 Ų38.231%0.3121%0.21SC..EExtended strand (participates in β ladder)trans-141.596.3172.9-171.8-0.8000108.3P37 Y98 T102 V103P37-N100 HydrophobicContact CB-CB 4.32Å; Y98-N100 HydrophobicContact CE1-CB 3.63Å; Y98-N100 WeakPolarHBondContact OH-CB 3.5Å; Y98-N100 PolarHBondContact OH-ND2 3.35Å; Y98-N100 VanDerWaalsContact OH-ND2 3.15Å; N100-T102 PolarHBondContact O-N 3.12Å; N100-T102 VanDerWaalsContact O-N 3.12Å; N100-V103 PolarHBondContact N-O 2.94Å; N100-V103 PolarHBondContact O-N 3.49Å
101G88.4Confident90.7Very high5 Ų542.8 Ų42.85%0.05223%0.225CC..THydrogen-bonded Turntrans53.2-113.7-170.300000113.2I33 D34 V103 I581I33-G101 PolarHBondContact O-N 3.48Å; D34-G101 WeakPolarHBondContact OD1-CA 3.47Å; G101-V103 VanDerWaalsContact C-N 3.32Å; G101-I581 WeakPolarHBondContact O-CD1 3.31Å
102T85.4Confident90.8Very high29 Ų2936.4 Ų36.418%0.17821%0.209CC..THydrogen-bonded Turntrans-86.86.5-179.664.90000114.2N100 K574 L577 E578 I581N100-T102 PolarHBondContact O-N 3.12Å; N100-T102 VanDerWaalsContact O-N 3.12Å; T102-K574 VanDerWaalsContact OG1-CE 3.31Å; T102-K574 WeakPolarHBondContact OG1-CE 3.38Å; T102-K574 WeakPolarHBondContact OG1-CG 3.39Å; T102-L577 VanDerWaalsContact C-CD2 3.44Å; T102-L577 WeakPolarHBondContact O-CD2 3.41Å; T102-E578 HydrophobicContact CG2-CB 3.82Å; T102-E578 HydrophobicContact CG2-CG 3.95Å; T102-I581 HydrophobicContact CG2-CD1 3.99Å
103V87.3Confident90.9Very high47 Ų4736 Ų3629%0.28520%0.201SC..EExtended strand (participates in β ladder)trans-106.7128.9176.7179.60000109.3I99 N100 G101 Y105I99-V103 WeakPolarHBondContact CA-O 3.35Å; N100-V103 PolarHBondContact N-O 2.94Å; N100-V103 PolarHBondContact O-N 3.49Å; G101-V103 VanDerWaalsContact C-N 3.32Å; V103-Y105 HydrophobicContact CG1-CD2 4.03Å; V103-Y105 HydrophobicContact CG1-CE2 3.29Å
104S90.6Very high90.7Very high7 Ų737.5 Ų37.55%0.04921%0.208CC..EExtended strand (participates in β ladder)trans-142.9133173.7-175.20000113Y98 P570Y98-S104 CarbonylContact O-C 3.55Å; Y98-S104 WeakPolarHBondContact O-CA 3.33Å; Y98-S104 PolarHBondContact O-OG 3.4Å; Y98-S104 VanDerWaalsContact O-OG 3.14Å; S104-P570 WeakPolarHBondContact O-CA 3.21Å; S104-P570 WeakPolarHBondContact O-CB 3.5Å
105Y91.5Very high90.5Very high12 Ų1238.1 Ų38.15%0.04722%0.215CC..EExtended strand (participates in β ladder)trans-122.8144.6176.3-60.1-71.3000110.4K97 Y98 V103 A123 I174 P570K97-Y105 CarbonylContact C-O 3.4Å; K97-Y105 WeakPolarHBondContact CA-O 3.13Å; K97-Y105 WeakPolarHBondContact CB-O 3.47Å; Y98-Y105 AromaticContact CD1-CD2 3.86Å; Y98-Y105 HydrophobicContact CD1-CD2 3.86Å; Y98-Y105 HydrophobicContact CD1-CE2 4.48Å; Y98-Y105 PolarHBondContact N-O 2.86Å; Y98-Y105 PolarHBondContact O-N 3.29Å; V103-Y105 HydrophobicContact CG1-CD2 4.03Å; V103-Y105 HydrophobicContact CG1-CE2 3.29Å; Y105-A123 HydrophobicContact CD2-CB 3.83Å; Y105-A123 HydrophobicContact CE2-CB 4.42Å; Y105-I174 HydrophobicContact CD1-CD1 4.04Å; Y105-I174 HydrophobicContact CD1-CG2 3.78Å; Y105-I174 HydrophobicContact CD2-CG2 3.89Å; Y105-I174 HydrophobicContact CE1-CG2 4.23Å; Y105-I174 HydrophobicContact CE2-CG2 4.33Å; Y105-I174 HydrophobicContact CG-CD1 4.37Å; Y105-I174 HydrophobicContact CG-CG2 3.6Å; Y105-P570 HydrophobicContact CD1-CB 4.13Å; Y105-P570 HydrophobicContact CE1-CB 3.75Å; Y105-P570 HydrophobicContact CE1-CG 4.17Å
106T90.8Very high90.5Very high40 Ų4037 Ų3725%0.24521%0.208CC..EExtended strand (participates in β ladder)trans-99130.8176.7-50.60000109.7T95 K97 V571T95-T106 HydrophobicContact CG2-CG2 4.31Å; K97-T106 HydrophobicContact CG-CG2 4.42Å; K97-T106 PolarHBondContact NZ-OG1 2.77Å; T106-V571 VanDerWaalsContact OG1-CG2 3.24Å; T106-V571 WeakPolarHBondContact OG1-CG2 3.48Å
107F90.8Very high90.3Very high24 Ų2437.4 Ų37.411%0.10521%0.211CC..  trans-77124.5172.8-178.3-113.1000110.4I96 G109 D110 R111 G115 L116 F119I96-F107 HydrophobicContact CB-CB 4.01Å; I96-F107 HydrophobicContact CB-CD1 4.49Å; I96-F107 HydrophobicContact CD1-CD1 4.15Å; I96-F107 HydrophobicContact CG2-CB 4.21Å; I96-F107 PolarHBondContact O-N 3.3Å; F107-G109 WeakPolarHBondContact CE1-O 3.37Å; F107-G109 VanDerWaalsContact CZ-C 3.48Å; F107-G109 WeakPolarHBondContact CZ-O 3.25Å; F107-D110 VanDerWaalsContact CZ-O 3.23Å; F107-D110 WeakPolarHBondContact CZ-O 3.35Å; F107-R111 HydrophobicContact CE1-CG 4.2Å; F107-G115 WeakPolarHBondContact CE2-O 3.33Å; F107-L116 HydrophobicContact CD1-CD2 3.79Å; F107-L116 HydrophobicContact CE1-CD2 3.64Å; F107-L116 HydrophobicContact CE1-CG 4.4Å; F107-L116 HydrophobicContact CG-CD2 4.34Å; F107-L116 HydrophobicContact CZ-CD2 4.07Å; F107-L116 HydrophobicContact CZ-CG 4.5Å; F107-F119 HydrophobicContact CB-CD1 3.93Å; F107-F119 HydrophobicContact CB-CD2 4.45Å; F107-F119 HydrophobicContact CB-CE1 3.77Å; F107-F119 HydrophobicContact CB-CE2 4.3Å; F107-F119 HydrophobicContact CB-CG 4.27Å; F107-F119 HydrophobicContact CB-CZ 3.97Å; F107-F119 HydrophobicContact CD2-CB 3.5Å; F107-F119 VanDerWaalsContact CD2-CB 3.5Å; F107-F119 AromaticContact CD2-CD1 3.72Å; F107-F119 HydrophobicContact CD2-CD1 3.72Å; F107-F119 AromaticContact CD2-CD2 3.78Å; F107-F119 HydrophobicContact CD2-CD2 3.78Å; F107-F119 HydrophobicContact CD2-CE1 4.39Å; F107-F119 HydrophobicContact CD2-CE2 4.43Å; F107-F119 AromaticContact CD2-CG 3.38Å; F107-F119 HydrophobicContact CD2-CG 3.38Å; F107-F119 HydrophobicContact CE2-CB 3.69Å; F107-F119 HydrophobicContact CE2-CG 4.11Å; F107-F119 HydrophobicContact CG-CD1 4.17Å; F107-F119 HydrophobicContact CG-CG 4.24Å
108T84Confident90.1Very high70 Ų7037.8 Ų37.843%0.42921%0.213SC..  trans-118.5-5.8179.753.40000113.7
109G80.8Confident90.1Very high37 Ų3738.1 Ų38.138%0.38122%0.215SC..SBendtrans-81.7-175.1-177.900000114.4F107 R111F107-G109 WeakPolarHBondContact CE1-O 3.37Å; F107-G109 VanDerWaalsContact CZ-C 3.48Å; F107-G109 WeakPolarHBondContact CZ-O 3.25Å; G109-R111 PolarHBondContact O-N 2.85Å
110D82.6Confident90.1Very high118 Ų11838.1 Ų38.163%0.63122%0.215SC*.  trans-64.4133.2177.3-72.5-31000112F107 T112F107-D110 VanDerWaalsContact CZ-O 3.23Å; F107-D110 WeakPolarHBondContact CZ-O 3.35Å; D110-T112 HydrophobicContact CB-CG2 4.23Å; D110-T112 PolarHBondContact O-N 3.49Å
111R88.4Confident90.2Very high118 Ų11838.6 Ų38.645%0.44522%0.215SC..  trans-76.647.1-176.8-60.8-173.5175.7102.3-5.7113.4L53 P94 F107 G109L53-R111 HydrophobicContact CD1-CB 3.82Å; L53-R111 HydrophobicContact CD1-CG 4.34Å; P94-R111 PolarHBondContact O-NH2 3.42Å; F107-R111 HydrophobicContact CE1-CG 4.2Å; G109-R111 PolarHBondContact O-N 2.85Å
112T91.5Very high90.4Very high70 Ų7039.6 Ų39.643%0.42922%0.218SC..SBendtrans-89.5158.9170.864.20000110D110 H114 G115 L116D110-T112 HydrophobicContact CB-CG2 4.23Å; D110-T112 PolarHBondContact O-N 3.49Å; T112-H114 VanDerWaalsContact C-N 3.35Å; T112-H114 PolarHBondContact O-N 2.94Å; T112-G115 PolarHBondContact O-N 2.58Å; T112-G115 PolarHBondContact OG1-N 3.49Å; T112-L116 VanDerWaalsContact O-CG 3.31Å; T112-L116 WeakPolarHBondContact O-CG 3.42Å; T112-L116 PolarHBondContact O-N 3.24Å
113V94.1Very high90.8Very high23 Ų2338.5 Ų38.514%0.13921%0.211CC..Hα-helixtrans-57.4-50176.7179.10000110.4T56 E59 I63 G115 L116 V117T56-V113 HydrophobicContact CG2-CG2 4.25Å; E59-V113 HydrophobicContact CB-CG1 4.36Å; E59-V113 HydrophobicContact CB-CG2 3.95Å; E59-V113 HydrophobicContact CG-CG1 3.98Å; E59-V113 HydrophobicContact CG-CG2 4.04Å; I63-V113 HydrophobicContact CD1-CG1 3.57Å; V113-G115 PolarHBondContact O-N 3.21Å; V113-L116 PolarHBondContact O-N 3.46Å; V113-V117 HydrophobicContact CG1-CG2 4.32Å; V113-V117 WeakPolarHBondContact O-CB 3.39Å; V113-V117 VanDerWaalsContact O-CG2 3.26Å; V113-V117 WeakPolarHBondContact O-CG2 3.15Å; V113-V117 PolarHBondContact O-N 3.4Å
114H91.4Very high91.1Very high93 Ų9337.6 Ų37.643%0.43121%0.205SC..Hα-helixtrans-55.8-49.4175.7177.6-87.4000111.8T112 L116 V117 T118 S145T112-H114 VanDerWaalsContact C-N 3.35Å; T112-H114 PolarHBondContact O-N 2.94Å; H114-L116 VanDerWaalsContact C-N 3.35Å; H114-L116 PolarHBondContact O-N 2.98Å; H114-V117 PolarHBondContact O-N 2.72Å; H114-T118 PolarHBondContact CE1-OG1 3.14Å; H114-T118 VanDerWaalsContact O-CB 3.3Å; H114-T118 WeakPolarHBondContact O-CB 3.36Å; H114-T118 PolarHBondContact O-N 3.49Å; H114-T118 PolarHBondContact O-OG1 2.73Å; H114-S145 PolarHBondContact NE2-OG 2.91Å; H114-S145 VanDerWaalsContact NE2-OG 3.1Å
115G91.3Very high91Very high17 Ų1738.9 Ų38.918%0.17522%0.219CC..Hα-helixtrans-58.3-43.8-179.800000113.3F107 T112 V113 F119F107-G115 WeakPolarHBondContact CE2-O 3.33Å; T112-G115 PolarHBondContact O-N 2.58Å; T112-G115 PolarHBondContact OG1-N 3.49Å; V113-G115 PolarHBondContact O-N 3.21Å; G115-F119 VanDerWaalsContact O-CB 3.25Å; G115-F119 WeakPolarHBondContact O-CB 3.42Å; G115-F119 PolarHBondContact O-N 3.16Å
116L95.6Very high91.1Very high0 Ų042.3 Ų42.30%024%0.243CC..Hα-helixtrans-66.6-45.1178-67.4169.6000112.4L53 Y57 A60 I96 F107 T112 V113 H114 A120L53-L116 HydrophobicContact CD1-CD1 4.33Å; Y57-L116 HydrophobicContact CD2-CD1 4.02Å; A60-L116 HydrophobicContact CB-CB 4.02Å; A60-L116 HydrophobicContact CB-CD1 4.13Å; I96-L116 HydrophobicContact CD1-CD2 3.54Å; I96-L116 HydrophobicContact CG2-CD2 4.32Å; F107-L116 HydrophobicContact CD1-CD2 3.79Å; F107-L116 HydrophobicContact CE1-CD2 3.64Å; F107-L116 HydrophobicContact CE1-CG 4.4Å; F107-L116 HydrophobicContact CG-CD2 4.34Å; F107-L116 HydrophobicContact CZ-CD2 4.07Å; F107-L116 HydrophobicContact CZ-CG 4.5Å; T112-L116 VanDerWaalsContact O-CG 3.31Å; T112-L116 WeakPolarHBondContact O-CG 3.42Å; T112-L116 PolarHBondContact O-N 3.24Å; V113-L116 PolarHBondContact O-N 3.46Å; H114-L116 VanDerWaalsContact C-N 3.35Å; H114-L116 PolarHBondContact O-N 2.98Å; L116-A120 WeakPolarHBondContact O-CB 3.41Å; L116-A120 PolarHBondContact O-N 3.27Å
117V94Very high91.2Very high11 Ų1141 Ų417%0.06724%0.236CC..Hα-helixtrans-64.5-50.9-179.9170.60000110.5A60 I63 L64 V113 H114 F119 A120 Q121A60-V117 HydrophobicContact CB-CG2 4.12Å; I63-V117 HydrophobicContact CB-CG2 3.99Å; I63-V117 HydrophobicContact CD1-CG2 4.1Å; I63-V117 HydrophobicContact CG2-CG1 3.83Å; I63-V117 HydrophobicContact CG2-CG2 3.91Å; L64-V117 HydrophobicContact CD2-CB 4.36Å; L64-V117 HydrophobicContact CD2-CG1 4.03Å; L64-V117 HydrophobicContact CD2-CG2 4.37Å; L64-V117 HydrophobicContact CG-CG2 4.2Å; V113-V117 HydrophobicContact CG1-CG2 4.32Å; V113-V117 WeakPolarHBondContact O-CB 3.39Å; V113-V117 VanDerWaalsContact O-CG2 3.26Å; V113-V117 WeakPolarHBondContact O-CG2 3.15Å; V113-V117 PolarHBondContact O-N 3.4Å; H114-V117 PolarHBondContact O-N 2.72Å; V117-F119 VanDerWaalsContact C-N 3.35Å; V117-F119 PolarHBondContact O-N 2.95Å; V117-A120 PolarHBondContact O-N 3.38Å; V117-Q121 HydrophobicContact CG1-CG 4.32Å; V117-Q121 WeakPolarHBondContact O-CB 3.27Å; V117-Q121 WeakPolarHBondContact O-CG 3.42Å; V117-Q121 PolarHBondContact O-N 3.25Å
118T92.3Very high91.6Very high11 Ų1140.9 Ų40.97%0.06724%0.237CC..Hα-helixtrans-60.3-43.9179.9-61.60000111.3H114 A120 Q121 R122 W177H114-T118 PolarHBondContact CE1-OG1 3.14Å; H114-T118 VanDerWaalsContact O-CB 3.3Å; H114-T118 WeakPolarHBondContact O-CB 3.36Å; H114-T118 PolarHBondContact O-N 3.49Å; H114-T118 PolarHBondContact O-OG1 2.73Å; T118-A120 PolarHBondContact O-N 2.84Å; T118-Q121 PolarHBondContact O-N 3.2Å; T118-R122 VanDerWaalsContact O-CB 3.31Å; T118-R122 WeakPolarHBondContact O-CB 3.37Å; T118-R122 WeakPolarHBondContact O-CG 3.31Å; T118-R122 PolarHBondContact O-N 3.39Å; T118-W177 HydrophobicContact CG2-CZ2 3.88Å
119F94.5Very high92.1Very high10 Ų1040.6 Ų40.64%0.04423%0.23CC..Hα-helixtrans-57.9-48.8174.4165.9-103.8000112.2L39 F107 G115 V117 R122 A123 I174L39-F119 HydrophobicContact CD1-CD1 3.92Å; L39-F119 HydrophobicContact CD1-CE1 3.79Å; F107-F119 HydrophobicContact CB-CD1 3.93Å; F107-F119 HydrophobicContact CB-CD2 4.45Å; F107-F119 HydrophobicContact CB-CE1 3.77Å; F107-F119 HydrophobicContact CB-CE2 4.3Å; F107-F119 HydrophobicContact CB-CG 4.27Å; F107-F119 HydrophobicContact CB-CZ 3.97Å; F107-F119 HydrophobicContact CD2-CB 3.5Å; F107-F119 VanDerWaalsContact CD2-CB 3.5Å; F107-F119 AromaticContact CD2-CD1 3.72Å; F107-F119 HydrophobicContact CD2-CD1 3.72Å; F107-F119 AromaticContact CD2-CD2 3.78Å; F107-F119 HydrophobicContact CD2-CD2 3.78Å; F107-F119 HydrophobicContact CD2-CE1 4.39Å; F107-F119 HydrophobicContact CD2-CE2 4.43Å; F107-F119 AromaticContact CD2-CG 3.38Å; F107-F119 HydrophobicContact CD2-CG 3.38Å; F107-F119 HydrophobicContact CE2-CB 3.69Å; F107-F119 HydrophobicContact CE2-CG 4.11Å; F107-F119 HydrophobicContact CG-CD1 4.17Å; F107-F119 HydrophobicContact CG-CG 4.24Å; G115-F119 VanDerWaalsContact O-CB 3.25Å; G115-F119 WeakPolarHBondContact O-CB 3.42Å; G115-F119 PolarHBondContact O-N 3.16Å; V117-F119 VanDerWaalsContact C-N 3.35Å; V117-F119 PolarHBondContact O-N 2.95Å; F119-R122 PolarHBondContact O-N 2.8Å; F119-A123 VanDerWaalsContact O-CB 3.29Å; F119-A123 WeakPolarHBondContact O-CB 3.43Å; F119-A123 PolarHBondContact O-N 2.79Å; F119-I174 HydrophobicContact CD2-CB 4.2Å; F119-I174 HydrophobicContact CE2-CB 4.13Å; F119-I174 HydrophobicContact CE2-CD1 4.23Å; F119-I174 HydrophobicContact CE2-CG2 4.26Å
120A95.5Very high92.9Very high0 Ų043.1 Ų43.10%023%0.232CC..Hα-helixtrans-65.3-42.5-178.600000111.8L39 L64 I71 L116 V117 T118 A123 N124L39-A120 HydrophobicContact CD1-CB 4.27Å; L39-A120 HydrophobicContact CD2-CB 4.38Å; L64-A120 HydrophobicContact CD1-CB 3.67Å; L64-A120 HydrophobicContact CD2-CB 3.9Å; L64-A120 HydrophobicContact CG-CB 4.46Å; I71-A120 HydrophobicContact CD1-CB 3.94Å; I71-A120 WeakPolarHBondContact CD1-O 3.4Å; L116-A120 WeakPolarHBondContact O-CB 3.41Å; L116-A120 PolarHBondContact O-N 3.27Å; V117-A120 PolarHBondContact O-N 3.38Å; T118-A120 PolarHBondContact O-N 2.84Å; A120-A123 PolarHBondContact O-N 3.32Å; A120-N124 VanDerWaalsContact O-CB 3.23Å; A120-N124 WeakPolarHBondContact O-CB 3.15Å; A120-N124 PolarHBondContact O-N 3.06Å
121Q93.5Very high93.5Very high68 Ų6837.5 Ų37.532%0.31820%0.202SC..Hα-helixtrans-63.5-44.4177.1-72.5177-18.400112.1L64 T67 V117 T118 A123 N124 G125 W177L64-Q121 HydrophobicContact CD2-CG 4.27Å; T67-Q121 HydrophobicContact CG2-CG 4.35Å; V117-Q121 HydrophobicContact CG1-CG 4.32Å; V117-Q121 WeakPolarHBondContact O-CB 3.27Å; V117-Q121 WeakPolarHBondContact O-CG 3.42Å; V117-Q121 PolarHBondContact O-N 3.25Å; T118-Q121 PolarHBondContact O-N 3.2Å; Q121-A123 PolarHBondContact O-N 2.94Å; Q121-N124 PolarHBondContact O-N 3.44Å; Q121-G125 PolarHBondContact O-N 2.94Å; Q121-W177 HydrophobicContact CB-CH2 3.98Å
122R93.3Very high93.8Very high27 Ų2738.6 Ų38.610%0.10221%0.212CC..Hα-helixtrans-59.2-45.4173.8-82.4-178.3-179.7160.7-0.7112.8T118 F119 N124 E148 R173 I174 F175 W177T118-R122 VanDerWaalsContact O-CB 3.31Å; T118-R122 WeakPolarHBondContact O-CB 3.37Å; T118-R122 WeakPolarHBondContact O-CG 3.31Å; T118-R122 PolarHBondContact O-N 3.39Å; F119-R122 PolarHBondContact O-N 2.8Å; R122-N124 VanDerWaalsContact C-N 3.27Å; R122-N124 PolarHBondContact O-N 2.94Å; R122-E148 IonicContact CZ-OE1 3.12Å; R122-E148 IonicContact NH1-OE1 3.89Å; R122-E148 IonicContact NH2-OE1 2.69Å; R122-E148 PolarHBondContact NH2-OE1 3.46Å; R122-R173 VanDerWaalsContact CB-O 3.31Å; R122-R173 WeakPolarHBondContact CB-O 3.42Å; R122-R173 WeakPolarHBondContact CD-O 3.46Å; R122-R173 PolarHBondContact O-NH2 2.8Å; R122-I174 WeakPolarHBondContact CD-O 3.32Å; R122-F175 VanDerWaalsContact NH1-C 3.27Å; R122-F175 PolarHBondContact NH1-O 2.94Å; R122-W177 HydrophobicContact CB-CH2 4.28Å; R122-W177 HydrophobicContact CB-CZ3 4.22Å; R122-W177 HydrophobicContact CG-CD2 3.89Å; R122-W177 HydrophobicContact CG-CE3 3.64Å; R122-W177 HydrophobicContact CG-CH2 3.38Å; R122-W177 HydrophobicContact CG-CZ2 3.62Å; R122-W177 HydrophobicContact CG-CZ3 3.38Å; R122-W177 VanDerWaalsContact NE-CE2 3.33Å
123A93.1Very high93.9Very high5 Ų540.4 Ų40.44%0.04121%0.214CC..Hα-helixtrans-64.7-33177.800000112.2Y98 Y105 F119 A120 Q121 I174Y98-A123 HydrophobicContact CD1-CB 3.65Å; Y98-A123 HydrophobicContact CD2-CB 3.65Å; Y98-A123 HydrophobicContact CE1-CB 4.08Å; Y98-A123 HydrophobicContact CE2-CB 4.09Å; Y98-A123 HydrophobicContact CG-CB 3.4Å; Y98-A123 VanDerWaalsContact CG-CB 3.4Å; Y105-A123 HydrophobicContact CD2-CB 3.83Å; Y105-A123 HydrophobicContact CE2-CB 4.42Å; F119-A123 VanDerWaalsContact O-CB 3.29Å; F119-A123 WeakPolarHBondContact O-CB 3.43Å; F119-A123 PolarHBondContact O-N 2.79Å; A120-A123 PolarHBondContact O-N 3.32Å; Q121-A123 PolarHBondContact O-N 2.94Å; A123-I174 HydrophobicContact CB-CG2 4.15Å
124N92.8Very high93.8Very high29 Ų2941.4 Ų41.416%0.15522%0.222CC..Hα-helixtrans-85.7-28.5-175.8-161.543.2000115.7P37 I71 Y98 A120 Q121 R122P37-N124 WeakPolarHBondContact CB-OD1 2.83Å; P37-N124 VanDerWaalsContact CG-OD1 3.28Å; P37-N124 WeakPolarHBondContact CG-OD1 3.15Å; I71-N124 HydrophobicContact CD1-CB 3.53Å; I71-N124 HydrophobicContact CG1-CB 4.18Å; I71-N124 WeakPolarHBondContact CG1-ND2 3.31Å; Y98-N124 HydrophobicContact CE2-CB 3.74Å; Y98-N124 WeakPolarHBondContact OH-CA 3.47Å; Y98-N124 PolarHBondContact OH-OD1 3.04Å; A120-N124 VanDerWaalsContact O-CB 3.23Å; A120-N124 WeakPolarHBondContact O-CB 3.15Å; A120-N124 PolarHBondContact O-N 3.06Å; Q121-N124 PolarHBondContact O-N 3.44Å; R122-N124 VanDerWaalsContact C-N 3.27Å; R122-N124 PolarHBondContact O-N 2.94Å
125G89.9Confident93.9Very high34 Ų3443.4 Ų43.435%0.35123%0.227SC..SBendtrans-70.7-170.8-179.300000113.8Q121 R173Q121-G125 PolarHBondContact O-N 2.94Å; G125-R173 VanDerWaalsContact C-NH2 3.33Å; G125-R173 PolarHBondContact O-NH2 3.19Å
126P93Very high94Very high84 Ų8445.8 Ų45.855%0.54523%0.233SC..  trans-74.3158.4158.432.3-34.3000110.5V128 K129P126-V128 VanDerWaalsContact C-N 3.28Å; P126-V128 PolarHBondContact O-N 3.46Å; P126-K129 HydrophobicContact CG-CB 4.08Å
127A93.7Very high93.8Very high13 Ų1345.8 Ų45.811%0.10723%0.233CC..SBendtrans-63.6-37.8175.800000111.7A169 E170 R173 F178A127-A169 HydrophobicContact CB-CB 4.37Å; A127-E170 HydrophobicContact CB-CB 4.34Å; A127-E170 WeakPolarHBondContact CB-OE2 3.35Å; A127-R173 HydrophobicContact CB-CB 4.22Å; A127-R173 VanDerWaalsContact N-NH1 3.19Å; A127-F178 WeakPolarHBondContact O-CB 3.17Å
128V97.6Very high93.6Very high20 Ų2048.7 Ų48.712%0.12125%0.246CC..SBendtrans-121.3119.1170.6-176.90000109.1P126 F165 L166 A169 F178P126-V128 VanDerWaalsContact C-N 3.28Å; P126-V128 PolarHBondContact O-N 3.46Å; V128-F165 HydrophobicContact CG1-CE1 4.16Å; V128-F165 HydrophobicContact CG2-CD1 4.24Å; V128-F165 HydrophobicContact CG2-CE1 3.87Å; V128-L166 HydrophobicContact CB-CD2 4.04Å; V128-L166 HydrophobicContact CG2-CD2 3.7Å; V128-A169 HydrophobicContact CG2-CB 3.33Å; V128-F178 VanDerWaalsContact CA-O 3.32Å; V128-F178 WeakPolarHBondContact CA-O 3.43Å; V128-F178 HydrophobicContact CB-CB 4.47Å; V128-F178 HydrophobicContact CG2-CB 3.86Å
129K96Very high93.6Very high65 Ų6552.7 Ų52.728%0.28326%0.264SS..EExtended strand (participates in β ladder)trans-87.8123.4174-176.2176.8176-176.40110.1P126 F131 H140 F178 F179 S180P126-K129 HydrophobicContact CG-CB 4.08Å; K129-F131 HydrophobicContact CB-CE2 4.32Å; K129-F131 HydrophobicContact CD-CE1 4.22Å; K129-F131 HydrophobicContact CD-CE2 4.14Å; K129-F131 HydrophobicContact CD-CZ 3.61Å; K129-F131 HydrophobicContact CG-CE2 4Å; K129-F131 HydrophobicContact CG-CZ 3.93Å; K129-H140 PolarHBondContact NZ-ND1 3.36Å; K129-F178 PolarHBondContact N-O 3.16Å; K129-F179 HydrophobicContact CB-CD1 3.92Å; K129-F179 HydrophobicContact CB-CE1 4.25Å; K129-F179 CarbonylContact O-C 3.56Å; K129-F179 VanDerWaalsContact O-CA 3.23Å; K129-F179 WeakPolarHBondContact O-CA 3.23Å; K129-S180 PolarHBondContact O-N 3.16Å
130H96.5Very high93.4Very high89 Ų8953.5 Ų53.541%0.41227%0.268SS..EExtended strand (participates in β ladder)trans-89.3142.3178.3-172.265.4000111S180H130-S180 CarbonylContact C-O 3.55Å; H130-S180 WeakPolarHBondContact CA-O 3.48Å; H130-S180 PolarHBondContact ND1-O 3.12Å; H130-S180 PolarHBondContact ND1-OG 2.66Å
131F95.9Very high93.1Very high0 Ų054.8 Ų54.80%027%0.274CS..EExtended strand (participates in β ladder)trans-126.7130.7175.5-66.1-82.7000109.4K129 E136 F137 H140 F179 S180 G181 V185K129-F131 HydrophobicContact CB-CE2 4.32Å; K129-F131 HydrophobicContact CD-CE1 4.22Å; K129-F131 HydrophobicContact CD-CE2 4.14Å; K129-F131 HydrophobicContact CD-CZ 3.61Å; K129-F131 HydrophobicContact CG-CE2 4Å; K129-F131 HydrophobicContact CG-CZ 3.93Å; F131-E136 HydrophobicContact CD1-CB 4.14Å; F131-E136 HydrophobicContact CD1-CG 3.83Å; F131-E136 HydrophobicContact CE1-CG 4.06Å; F131-F137 HydrophobicContact CB-CB 4.24Å; F131-F137 HydrophobicContact CD1-CB 4.02Å; F131-F137 HydrophobicContact CD1-CD2 4.44Å; F131-F137 AromaticContact CD2-CD2 3.66Å; F131-F137 HydrophobicContact CD2-CD2 3.66Å; F131-F137 HydrophobicContact CD2-CE2 4.4Å; F131-F137 HydrophobicContact CD2-CG 4.5Å; F131-F137 HydrophobicContact CE1-CD2 4.5Å; F131-F137 AromaticContact CE2-CD2 3.73Å; F131-F137 HydrophobicContact CE2-CD2 3.73Å; F131-F137 HydrophobicContact CE2-CE2 4.32Å; F131-F137 HydrophobicContact CG-CB 4.01Å; F131-F137 HydrophobicContact CG-CD2 4.03Å; F131-F137 HydrophobicContact CG-CG 4.47Å; F131-F137 HydrophobicContact CZ-CD2 4.16Å; F131-H140 HydrophobicContact CE1-CB 3.83Å; F131-H140 HydrophobicContact CZ-CB 3.74Å; F131-H140 AromaticContact CZ-CD2 3.6Å; F131-H140 AromaticContact CZ-CG 3.71Å; F131-F179 HydrophobicContact CD2-CB 4.29Å; F131-F179 HydrophobicContact CE2-CB 4.09Å; F131-F179 AromaticContact CE2-CD1 3.61Å; F131-F179 HydrophobicContact CE2-CD1 3.61Å; F131-F179 HydrophobicContact CE2-CE1 4.14Å; F131-F179 AromaticContact CE2-CG 3.83Å; F131-F179 HydrophobicContact CE2-CG 3.83Å; F131-F179 HydrophobicContact CZ-CD1 4.39Å; F131-S180 PolarHBondContact N-O 2.82Å; F131-G181 WeakPolarHBondContact O-CA 3.34Å; F131-V185 HydrophobicContact CB-CG1 3.66Å; F131-V185 WeakPolarHBondContact O-CG2 3.44Å
132E94.7Very high92.8Very high142 Ų14259.6 Ų59.666%0.66430%0.295SS*.SBendtrans-93.5-30.1175.5-65.7-174.9173.200112.2V185E132-V185 WeakPolarHBondContact O-CG2 3.3Å
133K94.1Very high92.6Very high107 Ų10765.1 Ų65.147%0.46532%0.319SS..SBendtrans-126.7142.5-170.9-57.7-179-168168.80110.8Y135 E136 F137K133-Y135 HydrophobicContact CB-CD1 3.86Å; K133-Y135 HydrophobicContact CB-CE1 3.7Å; K133-Y135 HydrophobicContact CD-CD1 4.26Å; K133-Y135 HydrophobicContact CD-CE1 3.37Å; K133-Y135 HydrophobicContact CG-CE1 4.18Å; K133-Y135 PolarHBondContact O-N 3.49Å; K133-E136 PolarHBondContact O-N 3.06Å; K133-F137 PolarHBondContact O-N 3.34Å
134S91.7Very high92.2Very high45 Ų4566 Ų6632%0.31532%0.323SS..Hα-helixtrans-59.1-42.7-179.746.40000114.1E136 F137 E138 V185S134-E136 VanDerWaalsContact C-N 3.27Å; S134-E136 PolarHBondContact O-N 3.29Å; S134-F137 WeakPolarHBondContact O-CB 3.18Å; S134-F137 PolarHBondContact O-N 3.22Å; S134-E138 WeakPolarHBondContact O-CG 3.28Å; S134-E138 PolarHBondContact O-N 3.19Å; S134-V185 WeakPolarHBondContact CA-O 3.26Å; S134-V185 WeakPolarHBondContact CB-O 3.4Å
135Y92.7Very high91.8Very high134 Ų13467.4 Ų67.453%0.52534%0.335SS..Hα-helixtrans-62.3-35.6-177.676.5-100.2000112.5K133 E138 E139K133-Y135 HydrophobicContact CB-CD1 3.86Å; K133-Y135 HydrophobicContact CB-CE1 3.7Å; K133-Y135 HydrophobicContact CD-CD1 4.26Å; K133-Y135 HydrophobicContact CD-CE1 3.37Å; K133-Y135 HydrophobicContact CG-CE1 4.18Å; K133-Y135 PolarHBondContact O-N 3.49Å; Y135-E138 PolarHBondContact O-N 3.31Å; Y135-E139 WeakPolarHBondContact O-CB 3.43Å; Y135-E139 PolarHBondContact O-N 3.12Å
136E93Very high91.1Very high68 Ų6871.2 Ų71.232%0.31836%0.356SS..Hα-helixtrans-68.9-40.7179.7-171.3-165.5160.700110.2F131 K133 S134 E139 H140F131-E136 HydrophobicContact CD1-CB 4.14Å; F131-E136 HydrophobicContact CD1-CG 3.83Å; F131-E136 HydrophobicContact CE1-CG 4.06Å; K133-E136 PolarHBondContact O-N 3.06Å; S134-E136 VanDerWaalsContact C-N 3.27Å; S134-E136 PolarHBondContact O-N 3.29Å; E136-E139 PolarHBondContact O-N 3.14Å; E136-H140 WeakPolarHBondContact O-CB 3.42Å; E136-H140 PolarHBondContact O-N 3.13Å
137F92.5Very high90.3Very high0 Ų072.5 Ų72.50%036%0.359CS..Hα-helixtrans-62.9-47.9174.9-179-120.4000111.3F131 K133 S134 E139 H140 L141 F150 F152 F179 V185F131-F137 HydrophobicContact CB-CB 4.24Å; F131-F137 HydrophobicContact CD1-CB 4.02Å; F131-F137 HydrophobicContact CD1-CD2 4.44Å; F131-F137 AromaticContact CD2-CD2 3.66Å; F131-F137 HydrophobicContact CD2-CD2 3.66Å; F131-F137 HydrophobicContact CD2-CE2 4.4Å; F131-F137 HydrophobicContact CD2-CG 4.5Å; F131-F137 HydrophobicContact CE1-CD2 4.5Å; F131-F137 AromaticContact CE2-CD2 3.73Å; F131-F137 HydrophobicContact CE2-CD2 3.73Å; F131-F137 HydrophobicContact CE2-CE2 4.32Å; F131-F137 HydrophobicContact CG-CB 4.01Å; F131-F137 HydrophobicContact CG-CD2 4.03Å; F131-F137 HydrophobicContact CG-CG 4.47Å; F131-F137 HydrophobicContact CZ-CD2 4.16Å; K133-F137 PolarHBondContact O-N 3.34Å; S134-F137 WeakPolarHBondContact O-CB 3.18Å; S134-F137 PolarHBondContact O-N 3.22Å; F137-E139 PolarHBondContact O-N 3.23Å; F137-H140 WeakPolarHBondContact O-CB 3.31Å; F137-H140 PolarHBondContact O-N 2.7Å; F137-H140 VanDerWaalsContact O-N 3.15Å; F137-L141 HydrophobicContact CD1-CD1 4.16Å; F137-L141 HydrophobicContact CD2-CG 4.42Å; F137-L141 HydrophobicContact CE1-CD1 3.61Å; F137-L141 HydrophobicContact CE1-CG 4.26Å; F137-L141 HydrophobicContact CE2-CD1 4.27Å; F137-L141 HydrophobicContact CE2-CD2 3.98Å; F137-L141 HydrophobicContact CE2-CG 4.09Å; F137-L141 HydrophobicContact CZ-CD1 3.68Å; F137-L141 HydrophobicContact CZ-CD2 4.03Å; F137-L141 HydrophobicContact CZ-CG 4Å; F137-L141 WeakPolarHBondContact O-CG 3.43Å; F137-L141 PolarHBondContact O-N 2.83Å; F137-F150 HydrophobicContact CE2-CE2 4.33Å; F137-F150 AromaticContact CZ-CE2 3.77Å; F137-F150 HydrophobicContact CZ-CE2 3.77Å; F137-F150 AromaticContact CZ-CZ 4Å; F137-F150 HydrophobicContact CZ-CZ 4Å; F137-F152 HydrophobicContact CD2-CE2 4.3Å; F137-F152 HydrophobicContact CE2-CD2 4.03Å; F137-F152 AromaticContact CE2-CE2 3.84Å; F137-F152 HydrophobicContact CE2-CE2 3.84Å; F137-F152 AromaticContact CZ-CD2 4Å; F137-F152 HydrophobicContact CZ-CD2 4Å; F137-F152 AromaticContact CZ-CE2 3.95Å; F137-F152 HydrophobicContact CZ-CE2 3.95Å; F137-F179 HydrophobicContact CE2-CB 4.49Å; F137-F179 AromaticContact CE2-CD2 3.83Å; F137-F179 HydrophobicContact CE2-CD2 3.83Å; F137-F179 HydrophobicContact CE2-CE2 4.43Å; F137-F179 HydrophobicContact CE2-CG 4.35Å; F137-V185 HydrophobicContact CB-CG1 3.58Å; F137-V185 HydrophobicContact CD1-CG1 4.18Å; F137-V185 HydrophobicContact CG-CG1 3.9Å
138E90Very high90Very high71 Ų7173.4 Ų73.433%0.33236%0.361SS..Hα-helixtrans-61.6-42.2176.5-72.7-177.317900113.1S134 Y135 H140 L141 K142 T187S134-E138 WeakPolarHBondContact O-CG 3.28Å; S134-E138 PolarHBondContact O-N 3.19Å; Y135-E138 PolarHBondContact O-N 3.31Å; E138-H140 PolarHBondContact O-N 3.1Å; E138-L141 PolarHBondContact O-N 3.32Å; E138-K142 WeakPolarHBondContact O-CG 3.29Å; E138-K142 PolarHBondContact O-N 3.03Å; E138-T187 HydrophobicContact CG-CG2 4.47Å; E138-T187 WeakPolarHBondContact CG-OG1 3.45Å; E138-T187 WeakPolarHBondContact OE1-CB 3.45Å; E138-T187 WeakPolarHBondContact OE1-CG2 3.33Å; E138-T187 PolarHBondContact OE1-OG1 2.89Å
139E91.1Very high89.7Confident95 Ų9573.1 Ų73.144%0.44436%0.359SS..Hα-helixtrans-62.6-36.3176.3-162.1-155.6136.100111.2Y135 E136 F137 K143Y135-E139 WeakPolarHBondContact O-CB 3.43Å; Y135-E139 PolarHBondContact O-N 3.12Å; E136-E139 PolarHBondContact O-N 3.14Å; F137-E139 PolarHBondContact O-N 3.23Å; E139-K143 WeakPolarHBondContact OE1-CE 3.48Å; E139-K143 IonicContact OE1-NZ 2.82Å; E139-K143 PolarHBondContact OE1-NZ 3.3Å
140H90.3Very high89.7Confident27 Ų2770.4 Ų70.413%0.12535%0.348CS..Hα-helixtrans-69.2-43.7174.5-167.664.4000112.1K129 F131 E136 F137 E138 K142 K143 F179K129-H140 PolarHBondContact NZ-ND1 3.36Å; F131-H140 HydrophobicContact CE1-CB 3.83Å; F131-H140 HydrophobicContact CZ-CB 3.74Å; F131-H140 AromaticContact CZ-CD2 3.6Å; F131-H140 AromaticContact CZ-CG 3.71Å; E136-H140 WeakPolarHBondContact O-CB 3.42Å; E136-H140 PolarHBondContact O-N 3.13Å; F137-H140 WeakPolarHBondContact O-CB 3.31Å; F137-H140 PolarHBondContact O-N 2.7Å; F137-H140 VanDerWaalsContact O-N 3.15Å; E138-H140 PolarHBondContact O-N 3.1Å; H140-K142 VanDerWaalsContact C-N 3.28Å; H140-K142 PolarHBondContact O-N 3.38Å; H140-K143 WeakPolarHBondContact O-CB 3.37Å; H140-K143 PolarHBondContact O-N 2.96Å; H140-F179 AromaticContact CD2-CE1 3.66Å; H140-F179 AromaticContact CD2-CZ 3.42Å; H140-F179 VanDerWaalsContact CD2-CZ 3.42Å; H140-F179 WeakPolarHBondContact CD2-CZ 3.29Å; H140-F179 AromaticContact NE2-CE1 3.46Å; H140-F179 WeakPolarHBondContact NE2-CE1 3.48Å; H140-F179 AromaticContact NE2-CZ 3.41Å; H140-F179 WeakPolarHBondContact NE2-CZ 3.46Å
141L89.1Confident89.6Confident27 Ų2766.2 Ų66.214%0.14133%0.328CS..Hα-helixtrans-61.9-34177.7-69-172.4000112.6F137 E138 K143 L144 F150 F179 Y190F137-L141 HydrophobicContact CD1-CD1 4.16Å; F137-L141 HydrophobicContact CD2-CG 4.42Å; F137-L141 HydrophobicContact CE1-CD1 3.61Å; F137-L141 HydrophobicContact CE1-CG 4.26Å; F137-L141 HydrophobicContact CE2-CD1 4.27Å; F137-L141 HydrophobicContact CE2-CD2 3.98Å; F137-L141 HydrophobicContact CE2-CG 4.09Å; F137-L141 HydrophobicContact CZ-CD1 3.68Å; F137-L141 HydrophobicContact CZ-CD2 4.03Å; F137-L141 HydrophobicContact CZ-CG 4Å; F137-L141 WeakPolarHBondContact O-CG 3.43Å; F137-L141 PolarHBondContact O-N 2.83Å; E138-L141 PolarHBondContact O-N 3.32Å; L141-K143 PolarHBondContact O-N 2.63Å; L141-L144 HydrophobicContact CD2-CD1 3.92Å; L141-L144 WeakPolarHBondContact O-CB 3.45Å; L141-L144 PolarHBondContact O-N 2.7Å; L141-L144 VanDerWaalsContact O-N 3.07Å; L141-F150 HydrophobicContact CD1-CE1 4.44Å; L141-F150 HydrophobicContact CD1-CZ 4.12Å; L141-F150 HydrophobicContact CD2-CD1 4.11Å; L141-F150 HydrophobicContact CD2-CE1 3.62Å; L141-F150 HydrophobicContact CD2-CE2 4.35Å; L141-F150 HydrophobicContact CD2-CZ 3.74Å; L141-F179 HydrophobicContact CD2-CE2 4.25Å; L141-Y190 HydrophobicContact CD1-CE2 3.77Å
142K88.4Confident89.6Confident170 Ų17066.2 Ų66.274%0.73933%0.328SS*.THydrogen-bonded Turntrans-63.1-22.1174.1-72.8171-173171.50113.7E138 H140E138-K142 WeakPolarHBondContact O-CG 3.29Å; E138-K142 PolarHBondContact O-N 3.03Å; H140-K142 VanDerWaalsContact C-N 3.28Å; H140-K142 PolarHBondContact O-N 3.38Å
143K87.5Confident89.6Confident142 Ų14259.5 Ų59.562%0.61730%0.297SS*.THydrogen-bonded Turntrans-83.8-19.1176.6-61.8170.5-169.31750111.7E139 H140 L141E139-K143 WeakPolarHBondContact OE1-CE 3.48Å; E139-K143 IonicContact OE1-NZ 2.82Å; E139-K143 PolarHBondContact OE1-NZ 3.3Å; H140-K143 WeakPolarHBondContact O-CB 3.37Å; H140-K143 PolarHBondContact O-N 2.96Å; L141-K143 PolarHBondContact O-N 2.63Å
144L85.9Confident89.5Confident24 Ų2455.5 Ų55.513%0.12628%0.28CS..SBendtrans-83.4154.4175.3-57.5-178.1000110.3L141 W177 F179L141-L144 HydrophobicContact CD2-CD1 3.92Å; L141-L144 WeakPolarHBondContact O-CB 3.45Å; L141-L144 PolarHBondContact O-N 2.7Å; L141-L144 VanDerWaalsContact O-N 3.07Å; L144-W177 HydrophobicContact CD2-CD2 4.33Å; L144-W177 HydrophobicContact CD2-CG 4.49Å; L144-W177 HydrophobicContact CD2-CZ2 3.96Å; L144-F179 HydrophobicContact CD1-CE2 4.1Å; L144-F179 HydrophobicContact CD1-CZ 4.07Å
145S83.2Confident89.5Confident58 Ų5856.4 Ų56.441%0.40628%0.279SS..  trans-64.3139.9168.4-68.50000109.5H114 D147 E148H114-S145 PolarHBondContact NE2-OG 2.91Å; H114-S145 VanDerWaalsContact NE2-OG 3.1Å; S145-D147 PolarHBondContact O-N 3.4Å; S145-E148 VanDerWaalsContact O-CB 3.32Å; S145-E148 WeakPolarHBondContact O-CB 3.5Å; S145-E148 PolarHBondContact O-N 3.07Å
146S75.7Confident89.3Confident114 Ų11456 Ų5680%0.79729%0.292SS*.THydrogen-bonded Turntrans-54.6-31.7-173.959.70000114.3
147D77.6Confident88.8Confident112 Ų11253.7 Ų53.760%0.59929%0.285SS*.THydrogen-bonded Turntrans-98.43.4-173.9-61.60.7000112.2S145 P149S145-D147 PolarHBondContact O-N 3.4Å; D147-P149 VanDerWaalsContact O-CD 3.25Å; D147-P149 WeakPolarHBondContact O-CD 3.06Å
148E86.8Confident88.4Confident32 Ų3257.1 Ų57.115%0.1530%0.303CS..  trans-76.7118-176.1-173.1164.4-143.100111.7R122 S145 W177R122-E148 IonicContact CZ-OE1 3.12Å; R122-E148 IonicContact NH1-OE1 3.89Å; R122-E148 IonicContact NH2-OE1 2.69Å; R122-E148 PolarHBondContact NH2-OE1 3.46Å; S145-E148 VanDerWaalsContact O-CB 3.32Å; S145-E148 WeakPolarHBondContact O-CB 3.5Å; S145-E148 PolarHBondContact O-N 3.07Å; E148-W177 PolarHBondContact OE1-NE1 2.77Å; E148-W177 PolarHBondContact OE2-NE1 3.34Å
149P91.8Very high88.2Confident14 Ų1457.3 Ų57.39%0.09131%0.313CS..  trans-66.3142.1178.7-25.739.1000112.8D147 F207 K208 R245 P247D147-P149 VanDerWaalsContact O-CD 3.25Å; D147-P149 WeakPolarHBondContact O-CD 3.06Å; P149-F207 VanDerWaalsContact CA-O 3.3Å; P149-F207 WeakPolarHBondContact CA-O 3.46Å; P149-K208 HydrophobicContact CB-CB 3.87Å; P149-K208 HydrophobicContact CG-CB 3.88Å; P149-K208 HydrophobicContact CG-CD 4.5Å; P149-R245 WeakPolarHBondContact CG-O 3.29Å; P149-P247 HydrophobicContact CG-CG 4.49Å
150F94.2Very high88.1Confident8 Ų855 Ų554%0.03530%0.302CS..EExtended strand (participates in β ladder)trans-141153.117265.6-92.7000112F137 L141 W177 F179 V206 F207F137-F150 HydrophobicContact CE2-CE2 4.33Å; F137-F150 AromaticContact CZ-CE2 3.77Å; F137-F150 HydrophobicContact CZ-CE2 3.77Å; F137-F150 AromaticContact CZ-CZ 4Å; F137-F150 HydrophobicContact CZ-CZ 4Å; L141-F150 HydrophobicContact CD1-CE1 4.44Å; L141-F150 HydrophobicContact CD1-CZ 4.12Å; L141-F150 HydrophobicContact CD2-CD1 4.11Å; L141-F150 HydrophobicContact CD2-CE1 3.62Å; L141-F150 HydrophobicContact CD2-CE2 4.35Å; L141-F150 HydrophobicContact CD2-CZ 3.74Å; F150-W177 HydrophobicContact CB-CB 3.82Å; F150-F179 HydrophobicContact CB-CD2 4.13Å; F150-F179 HydrophobicContact CB-CE2 3.8Å; F150-F179 AromaticContact CD2-CD2 3.53Å; F150-F179 HydrophobicContact CD2-CD2 3.53Å; F150-F179 AromaticContact CD2-CE2 3.85Å; F150-F179 HydrophobicContact CD2-CE2 3.85Å; F150-F179 HydrophobicContact CE2-CD2 4.15Å; F150-F179 AromaticContact CG-CD2 4Å; F150-F179 HydrophobicContact CG-CD2 4Å; F150-F179 AromaticContact CG-CE2 3.83Å; F150-F179 HydrophobicContact CG-CE2 3.83Å; F150-V206 WeakPolarHBondContact O-CA 3Å; F150-F207 HydrophobicContact CD1-CB 3.89Å; F150-F207 HydrophobicContact CD2-CB 3.96Å; F150-F207 AromaticContact CD2-CD2 3.78Å; F150-F207 HydrophobicContact CD2-CD2 3.78Å; F150-F207 HydrophobicContact CD2-CG 4.13Å; F150-F207 HydrophobicContact CE1-CB 3.45Å; F150-F207 VanDerWaalsContact CE1-CB 3.45Å; F150-F207 HydrophobicContact CE1-CG 4.08Å; F150-F207 HydrophobicContact CE2-CB 3.53Å; F150-F207 HydrophobicContact CE2-CD1 4.26Å; F150-F207 AromaticContact CE2-CD2 3.17Å; F150-F207 HydrophobicContact CE2-CD2 3.17Å; F150-F207 AromaticContact CE2-CE2 3.93Å; F150-F207 HydrophobicContact CE2-CE2 3.93Å; F150-F207 AromaticContact CE2-CG 3.37Å; F150-F207 HydrophobicContact CE2-CG 3.37Å; F150-F207 HydrophobicContact CG-CB 4.14Å; F150-F207 HydrophobicContact CZ-CB 3.26Å; F150-F207 AromaticContact CZ-CD1 3.95Å; F150-F207 HydrophobicContact CZ-CD1 3.95Å; F150-F207 AromaticContact CZ-CD2 3.7Å; F150-F207 HydrophobicContact CZ-CD2 3.7Å; F150-F207 AromaticContact CZ-CG 3.34Å; F150-F207 HydrophobicContact CZ-CG 3.34Å; F150-F207 PolarHBondContact N-O 2.83Å; F150-F207 VanDerWaalsContact N-O 3.1Å; F150-F207 PolarHBondContact O-N 2.88Å
151F96.1Very high88Confident0 Ų054 Ų540%030%0.298CS..EExtended strand (participates in β ladder)trans-104145.3178.5-64.7-90.7000110.4F165 W177 F178 F179 L205 V206 W240 T241 E244 R245F151-F165 HydrophobicContact CB-CE2 4.06Å; F151-F165 HydrophobicContact CB-CZ 4.12Å; F151-W177 PolarHBondContact N-O 3.2Å; F151-F178 HydrophobicContact CB-CD1 3.66Å; F151-F178 HydrophobicContact CB-CE1 4.01Å; F151-F178 HydrophobicContact CB-CG 4.44Å; F151-F178 HydrophobicContact CD2-CD1 4.27Å; F151-F178 AromaticContact CD2-CE1 3.88Å; F151-F178 HydrophobicContact CD2-CE1 3.88Å; F151-F178 HydrophobicContact CD2-CZ 4.25Å; F151-F178 HydrophobicContact CG-CD1 4.17Å; F151-F178 AromaticContact CG-CE1 3.99Å; F151-F178 HydrophobicContact CG-CE1 3.99Å; F151-F178 CarbonylContact O-C 3.59Å; F151-F178 WeakPolarHBondContact O-CA 3.09Å; F151-F179 PolarHBondContact O-N 3.48Å; F151-L205 CarbonylContact C-O 3.57Å; F151-L205 VanDerWaalsContact CA-O 3.3Å; F151-L205 WeakPolarHBondContact CA-O 3.47Å; F151-V206 HydrophobicContact CD1-CB 3.73Å; F151-V206 HydrophobicContact CD1-CG2 3.92Å; F151-V206 HydrophobicContact CE1-CB 3.64Å; F151-V206 HydrophobicContact CE1-CG2 3.61Å; F151-V206 HydrophobicContact CE2-CG2 4.35Å; F151-V206 HydrophobicContact CG-CG2 4.43Å; F151-V206 HydrophobicContact CZ-CB 4.37Å; F151-V206 HydrophobicContact CZ-CG2 3.83Å; F151-W240 HydrophobicContact CD1-CH2 4.28Å; F151-W240 AromaticContact CD1-CZ3 3.76Å; F151-W240 HydrophobicContact CD1-CZ3 3.76Å; F151-W240 HydrophobicContact CE1-CE3 4.16Å; F151-W240 HydrophobicContact CE1-CH2 4.14Å; F151-W240 AromaticContact CE1-CZ3 3.62Å; F151-W240 HydrophobicContact CE1-CZ3 3.62Å; F151-T241 HydrophobicContact CD1-CG2 4.26Å; F151-T241 HydrophobicContact CD2-CG2 4.05Å; F151-T241 HydrophobicContact CE1-CG2 3.85Å; F151-T241 HydrophobicContact CE2-CG2 3.64Å; F151-T241 HydrophobicContact CG-CG2 4.35Å; F151-T241 HydrophobicContact CZ-CG2 3.53Å; F151-T241 WeakPolarHBondContact CZ-O 3.44Å; F151-E244 HydrophobicContact CE1-CB 3.87Å; F151-E244 HydrophobicContact CZ-CB 3.86Å; F151-R245 HydrophobicContact CE2-CB 3.98Å; F151-R245 HydrophobicContact CZ-CB 4.23Å
152F95.3Very high88.1Confident0 Ų054.9 Ų54.90%030%0.302CS..EExtended strand (participates in β ladder)trans-136.6130.9-178.1-162.4-80.8000110.9F137 I154 F179 G181 V185 I186 L205 F207F137-F152 HydrophobicContact CD2-CE2 4.3Å; F137-F152 HydrophobicContact CE2-CD2 4.03Å; F137-F152 AromaticContact CE2-CE2 3.84Å; F137-F152 HydrophobicContact CE2-CE2 3.84Å; F137-F152 AromaticContact CZ-CD2 4Å; F137-F152 HydrophobicContact CZ-CD2 4Å; F137-F152 AromaticContact CZ-CE2 3.95Å; F137-F152 HydrophobicContact CZ-CE2 3.95Å; F152-I154 HydrophobicContact CD1-CG1 4.07Å; F152-I154 HydrophobicContact CE1-CG1 4.22Å; F152-F179 CarbonylContact C-O 3.49Å; F152-F179 WeakPolarHBondContact CA-O 3.5Å; F152-F179 HydrophobicContact CD2-CB 3.59Å; F152-F179 HydrophobicContact CE2-CB 4Å; F152-F179 HydrophobicContact CG-CB 4.44Å; F152-G181 VanDerWaalsContact CZ-N 3.35Å; F152-V185 HydrophobicContact CZ-CG1 4.5Å; F152-I186 HydrophobicContact CD1-CD1 3.94Å; F152-I186 HydrophobicContact CD1-CG1 4.41Å; F152-I186 HydrophobicContact CE1-CD1 3.84Å; F152-I186 HydrophobicContact CE1-CG1 4Å; F152-I186 HydrophobicContact CE2-CG1 4.36Å; F152-I186 HydrophobicContact CZ-CD1 4.33Å; F152-I186 HydrophobicContact CZ-CG1 3.97Å; F152-L205 PolarHBondContact N-O 2.79Å; F152-L205 PolarHBondContact O-N 3.41Å; F152-F207 HydrophobicContact CB-CD2 4.09Å; F152-F207 HydrophobicContact CB-CE2 3.63Å; F152-F207 HydrophobicContact CG-CE2 4.27Å
153L95.6Very high88.4Confident1 Ų153.4 Ų53.41%0.00530%0.295CS..EExtended strand (participates in β ladder)trans-99.8115.3169.6177.471000110.1A157 E162 F165 F179 S180 G181 E203 I204L153-A157 HydrophobicContact CD1-CB 3.87Å; L153-A157 HydrophobicContact CG-CB 4.49Å; L153-E162 HydrophobicContact CD2-CB 4.05Å; L153-E162 HydrophobicContact CD2-CG 3.78Å; L153-F165 HydrophobicContact CB-CD1 3.75Å; L153-F165 HydrophobicContact CB-CE1 3.63Å; L153-F165 HydrophobicContact CB-CG 4.25Å; L153-F165 HydrophobicContact CB-CZ 4.04Å; L153-F165 HydrophobicContact CD1-CG 4.48Å; L153-F165 HydrophobicContact CD2-CD1 3.98Å; L153-F165 HydrophobicContact CD2-CG 4.48Å; L153-F165 HydrophobicContact CG-CD1 4.34Å; L153-F179 PolarHBondContact N-O 3.06Å; L153-S180 VanDerWaalsContact O-CA 3.26Å; L153-S180 WeakPolarHBondContact O-CA 3.47Å; L153-G181 PolarHBondContact O-N 3.21Å; L153-E203 HydrophobicContact CD1-CB 4.42Å; L153-I204 HydrophobicContact CD1-CG1 3.73Å
154I91.6Very high88.6Confident24 Ų2446.8 Ų46.812%0.12327%0.267CS..EExtended strand (participates in β ladder)trans-74.4125.5172.5-63.1169.7000108.9F152 A157 G181 L183 I186 L194 E203 L205F152-I154 HydrophobicContact CD1-CG1 4.07Å; F152-I154 HydrophobicContact CE1-CG1 4.22Å; I154-A157 WeakPolarHBondContact O-CB 3.43Å; I154-G181 CarbonylContact C-O 3.57Å; I154-G181 WeakPolarHBondContact CA-O 3.42Å; I154-L183 HydrophobicContact CD1-CD1 4.07Å; I154-L183 HydrophobicContact CG2-CB 4.25Å; I154-I186 HydrophobicContact CD1-CD1 4.27Å; I154-I186 HydrophobicContact CG1-CD1 4.07Å; I154-L194 HydrophobicContact CD1-CD2 4.42Å; I154-E203 HydrophobicContact CB-CB 4.21Å; I154-E203 PolarHBondContact N-O 2.86Å; I154-E203 WeakPolarHBondContact O-CB 3.49Å; I154-L205 HydrophobicContact CD1-CD1 3.51Å; I154-L205 HydrophobicContact CD1-CG 4.11Å; I154-L205 HydrophobicContact CG1-CD1 4.13Å
155K92Very high89Confident64 Ų6445.7 Ų45.728%0.27826%0.261SS..EExtended strand (participates in β ladder)trans-102.5145.3173.7-67.3-168.3171.7-1630111.3E162 G181 S182K155-E162 WeakPolarHBondContact CE-OE1 3.24Å; K155-E162 IonicContact NZ-OE1 2.68Å; K155-E162 PolarHBondContact NZ-OE1 3.27Å; K155-G181 PolarHBondContact N-O 3.09Å; K155-S182 WeakPolarHBondContact O-CA 3.23Å
156P87.7Confident89.6Confident124 Ų12446.4 Ų46.481%0.80526%0.26SS*.SBendcis-73.2147-4.132.2-34.9000111.9
157A82.3Confident90.5Very high20 Ų2046 Ų4617%0.16525%0.245CC..  trans-123.2165.217700000111.2L153 I154 S159 E162 E203L153-A157 HydrophobicContact CD1-CB 3.87Å; L153-A157 HydrophobicContact CG-CB 4.49Å; I154-A157 WeakPolarHBondContact O-CB 3.43Å; A157-S159 PolarHBondContact O-N 3.37Å; A157-E162 HydrophobicContact CB-CB 4.45Å; A157-E203 WeakPolarHBondContact CA-OE1 3.42Å; A157-E203 HydrophobicContact CB-CB 3.86Å; A157-E203 HydrophobicContact CB-CG 3.96Å
158N84.2Confident91.2Very high72 Ų7240.7 Ų40.739%0.38522%0.217SC..  trans-52.3129.7166.6-175.8-52.6000110.9I160 L161 E162 E203N158-I160 PolarHBondContact O-N 2.96Å; N158-I160 VanDerWaalsContact O-N 3.13Å; N158-I160 WeakPolarHBondContact OD1-CB 3.12Å; N158-I160 PolarHBondContact OD1-N 3.32Å; N158-L161 HydrophobicContact CB-CB 4.15Å; N158-L161 HydrophobicContact CB-CD1 3.99Å; N158-L161 HydrophobicContact CB-CG 4.17Å; N158-L161 PolarHBondContact O-N 2.68Å; N158-E162 PolarHBondContact O-N 3.34Å; N158-E203 PolarHBondContact N-OE1 3.49Å; N158-E203 VanDerWaalsContact N-OE1 3.17Å
159S86.2Confident91.7Very high76 Ų7639.2 Ų39.253%0.53121%0.21SC..Hα-helixtrans-57-30.9-176.569.80000114.6A157 K163A157-S159 PolarHBondContact O-N 3.37Å; S159-K163 WeakPolarHBondContact O-CB 3.24Å; S159-K163 VanDerWaalsContact O-CG 3.27Å; S159-K163 WeakPolarHBondContact O-CG 3.39Å; S159-K163 PolarHBondContact O-N 3.15Å
160I88.1Confident91.7Very high45 Ų4543 Ų4323%0.23123%0.226CC..Hα-helixtrans-75.1-44.1177.3-61.9167.2000109.8N158 K163 T164 T230 L233N158-I160 PolarHBondContact O-N 2.96Å; N158-I160 VanDerWaalsContact O-N 3.13Å; N158-I160 WeakPolarHBondContact OD1-CB 3.12Å; N158-I160 PolarHBondContact OD1-N 3.32Å; I160-K163 PolarHBondContact O-N 3.48Å; I160-T164 WeakPolarHBondContact O-CB 3.38Å; I160-T164 PolarHBondContact O-N 3.12Å; I160-T164 PolarHBondContact O-OG1 3.22Å; I160-T230 HydrophobicContact CG2-CG2 4.1Å; I160-L233 HydrophobicContact CG2-CD2 3.64Å
161L88.3Confident91.4Very high6 Ų646 Ų463%0.03124%0.241CC..Hα-helixtrans-61.6-46.5175.9-77.1174000111.4N158 T164 F165 T202 E203 I204 Y215 L226 L233N158-L161 HydrophobicContact CB-CB 4.15Å; N158-L161 HydrophobicContact CB-CD1 3.99Å; N158-L161 HydrophobicContact CB-CG 4.17Å; N158-L161 PolarHBondContact O-N 2.68Å; L161-T164 PolarHBondContact O-N 2.86Å; L161-F165 WeakPolarHBondContact O-CB 3.42Å; L161-F165 PolarHBondContact O-N 3.27Å; L161-T202 HydrophobicContact CD1-CG2 4.41Å; L161-E203 VanDerWaalsContact CD1-OE2 3.26Å; L161-E203 WeakPolarHBondContact CD1-OE2 3.24Å; L161-I204 HydrophobicContact CB-CD1 4.49Å; L161-I204 HydrophobicContact CD2-CD1 4.16Å; L161-Y215 HydrophobicContact CD2-CE1 4.26Å; L161-L226 HydrophobicContact CD1-CD2 3.97Å; L161-L226 HydrophobicContact CD2-CD1 4.14Å; L161-L226 HydrophobicContact CD2-CD2 3.39Å; L161-L226 HydrophobicContact CD2-CG 4.4Å; L161-L226 HydrophobicContact CG-CD2 3.4Å; L161-L233 HydrophobicContact CD2-CD1 4.15Å; L161-L233 HydrophobicContact CD2-CD2 4.18Å
162E92.2Very high91.2Very high47 Ų4746.1 Ų46.122%0.2224%0.241CC..Hα-helixtrans-59.4-50.6178.9173.9165.4-174.800111.2L153 K155 A157 N158 T164 F165 L166L153-E162 HydrophobicContact CD2-CB 4.05Å; L153-E162 HydrophobicContact CD2-CG 3.78Å; K155-E162 WeakPolarHBondContact CE-OE1 3.24Å; K155-E162 IonicContact NZ-OE1 2.68Å; K155-E162 PolarHBondContact NZ-OE1 3.27Å; A157-E162 HydrophobicContact CB-CB 4.45Å; N158-E162 PolarHBondContact O-N 3.34Å; E162-T164 VanDerWaalsContact C-N 3.28Å; E162-T164 PolarHBondContact O-N 2.78Å; E162-F165 PolarHBondContact O-N 3.28Å; E162-L166 HydrophobicContact CG-CD1 4.09Å; E162-L166 HydrophobicContact CG-CG 4.48Å; E162-L166 VanDerWaalsContact O-CG 3.25Å; E162-L166 WeakPolarHBondContact O-CG 3.45Å; E162-L166 PolarHBondContact O-N 3.03Å
163K93.5Very high91Very high139 Ų13947 Ų4760%0.60425%0.245SC*.Hα-helixtrans-58.7-42177.5-75.1176-178.2178.60112S159 I160 L166 Q167S159-K163 WeakPolarHBondContact O-CB 3.24Å; S159-K163 VanDerWaalsContact O-CG 3.27Å; S159-K163 WeakPolarHBondContact O-CG 3.39Å; S159-K163 PolarHBondContact O-N 3.15Å; I160-K163 PolarHBondContact O-N 3.48Å; K163-L166 PolarHBondContact O-N 3.44Å; K163-Q167 WeakPolarHBondContact O-CG 3.41Å; K163-Q167 PolarHBondContact O-N 3.11Å
164T91.7Very high90.8Very high3 Ų347.6 Ų47.62%0.01825%0.247CC..Hα-helixtrans-69-41.8-179.1-50.60000111.4I160 L161 E162 L166 Q167 V168 L233 Y234 L237I160-T164 WeakPolarHBondContact O-CB 3.38Å; I160-T164 PolarHBondContact O-N 3.12Å; I160-T164 PolarHBondContact O-OG1 3.22Å; L161-T164 PolarHBondContact O-N 2.86Å; E162-T164 VanDerWaalsContact C-N 3.28Å; E162-T164 PolarHBondContact O-N 2.78Å; T164-L166 VanDerWaalsContact C-N 3.34Å; T164-L166 PolarHBondContact O-N 2.91Å; T164-Q167 WeakPolarHBondContact O-CB 3.39Å; T164-Q167 PolarHBondContact O-N 2.73Å; T164-V168 WeakPolarHBondContact O-CG2 3.44Å; T164-V168 PolarHBondContact O-N 2.76Å; T164-L233 HydrophobicContact CG2-CD2 4.32Å; T164-L233 HydrophobicContact CG2-CG 4.06Å; T164-Y234 HydrophobicContact CG2-CD2 4.22Å; T164-L237 HydrophobicContact CG2-CD2 4.04Å
165F95Very high90.6Very high0 Ų048 Ų480%025%0.248CC..Hα-helixtrans-59.9-44174-178.8-94.3000111.7V128 F151 L153 L161 E162 Q167 V168 A169 F178 I204 L237V128-F165 HydrophobicContact CG1-CE1 4.16Å; V128-F165 HydrophobicContact CG2-CD1 4.24Å; V128-F165 HydrophobicContact CG2-CE1 3.87Å; F151-F165 HydrophobicContact CB-CE2 4.06Å; F151-F165 HydrophobicContact CB-CZ 4.12Å; L153-F165 HydrophobicContact CB-CD1 3.75Å; L153-F165 HydrophobicContact CB-CE1 3.63Å; L153-F165 HydrophobicContact CB-CG 4.25Å; L153-F165 HydrophobicContact CB-CZ 4.04Å; L153-F165 HydrophobicContact CD1-CG 4.48Å; L153-F165 HydrophobicContact CD2-CD1 3.98Å; L153-F165 HydrophobicContact CD2-CG 4.48Å; L153-F165 HydrophobicContact CG-CD1 4.34Å; L161-F165 WeakPolarHBondContact O-CB 3.42Å; L161-F165 PolarHBondContact O-N 3.27Å; E162-F165 PolarHBondContact O-N 3.28Å; F165-Q167 VanDerWaalsContact C-N 3.33Å; F165-Q167 PolarHBondContact O-N 2.92Å; F165-V168 PolarHBondContact O-N 3.09Å; F165-A169 VanDerWaalsContact O-CB 3.28Å; F165-A169 WeakPolarHBondContact O-CB 3.45Å; F165-A169 PolarHBondContact O-N 2.63Å; F165-F178 HydrophobicContact CE1-CB 4.29Å; F165-F178 HydrophobicContact CE1-CD1 4.32Å; F165-F178 HydrophobicContact CE2-CD1 4.01Å; F165-F178 HydrophobicContact CZ-CB 4.15Å; F165-F178 AromaticContact CZ-CD1 3.71Å; F165-F178 HydrophobicContact CZ-CD1 3.71Å; F165-F178 HydrophobicContact CZ-CG 4.44Å; F165-I204 HydrophobicContact CB-CD1 3.98Å; F165-I204 HydrophobicContact CB-CG1 4.44Å; F165-I204 HydrophobicContact CD2-CB 4.44Å; F165-I204 HydrophobicContact CD2-CD1 3.91Å; F165-I204 HydrophobicContact CD2-CG1 3.88Å; F165-I204 HydrophobicContact CD2-CG2 3.73Å; F165-I204 HydrophobicContact CE2-CG2 3.77Å; F165-I204 HydrophobicContact CG-CD1 4.34Å; F165-I204 HydrophobicContact CG-CG1 4.39Å; F165-L237 HydrophobicContact CB-CD2 4.23Å
166L96.3Very high90.7Very high74 Ų7445.1 Ų45.139%0.38724%0.236SC..Hα-helixtrans-61.3-40.7175.7-67.5173000111.9V128 E162 K163 T164 A169 E170V128-L166 HydrophobicContact CB-CD2 4.04Å; V128-L166 HydrophobicContact CG2-CD2 3.7Å; E162-L166 HydrophobicContact CG-CD1 4.09Å; E162-L166 HydrophobicContact CG-CG 4.48Å; E162-L166 VanDerWaalsContact O-CG 3.25Å; E162-L166 WeakPolarHBondContact O-CG 3.45Å; E162-L166 PolarHBondContact O-N 3.03Å; K163-L166 PolarHBondContact O-N 3.44Å; T164-L166 VanDerWaalsContact C-N 3.34Å; T164-L166 PolarHBondContact O-N 2.91Å; L166-A169 PolarHBondContact O-N 2.69Å; L166-E170 PolarHBondContact O-N 2.9Å
167Q94.3Very high91Very high106 Ų10640.6 Ų40.650%0.49520%0.203SC..Hα-helixtrans-64.8-44176-73175-1600112.4K163 T164 F165 E170 Q171 Y234K163-Q167 WeakPolarHBondContact O-CG 3.41Å; K163-Q167 PolarHBondContact O-N 3.11Å; T164-Q167 WeakPolarHBondContact O-CB 3.39Å; T164-Q167 PolarHBondContact O-N 2.73Å; F165-Q167 VanDerWaalsContact C-N 3.33Å; F165-Q167 PolarHBondContact O-N 2.92Å; Q167-E170 PolarHBondContact O-N 2.88Å; Q167-Q171 PolarHBondContact O-N 3.09Å; Q167-Y234 HydrophobicContact CB-CD2 3.92Å; Q167-Y234 HydrophobicContact CB-CE2 3.76Å
168V93Very high91.7Very high0 Ų039.8 Ų39.80%020%0.196CC..Hα-helixtrans-64.8-42.6176.5170.40000110.8T164 F165 E170 Q171 L172 Y234 L237 L238 T241T164-V168 WeakPolarHBondContact O-CG2 3.44Å; T164-V168 PolarHBondContact O-N 2.76Å; F165-V168 PolarHBondContact O-N 3.09Å; V168-E170 PolarHBondContact O-N 2.96Å; V168-Q171 PolarHBondContact O-N 2.93Å; V168-L172 HydrophobicContact CG1-CD1 4.02Å; V168-L172 HydrophobicContact CG1-CG 4.47Å; V168-L172 WeakPolarHBondContact O-CB 3.24Å; V168-L172 PolarHBondContact O-N 3.08Å; V168-Y234 HydrophobicContact CG2-CD2 3.78Å; V168-Y234 HydrophobicContact CG2-CE2 3.75Å; V168-L237 HydrophobicContact CB-CD2 4.46Å; V168-L237 HydrophobicContact CG2-CB 4.26Å; V168-L237 HydrophobicContact CG2-CD2 4.04Å; V168-L237 HydrophobicContact CG2-CG 4.05Å; V168-L238 HydrophobicContact CG1-CD1 4.08Å; V168-L238 HydrophobicContact CG2-CB 4.1Å; V168-T241 HydrophobicContact CG1-CG2 4.12Å
169A96.2Very high92.3Very high0 Ų036.5 Ų36.50%018%0.178CC..Hα-helixtrans-60.5-43.6176.600000111.7A127 V128 F165 L166 Q171 L172 R173 F178A127-A169 HydrophobicContact CB-CB 4.37Å; V128-A169 HydrophobicContact CG2-CB 3.33Å; F165-A169 VanDerWaalsContact O-CB 3.28Å; F165-A169 WeakPolarHBondContact O-CB 3.45Å; F165-A169 PolarHBondContact O-N 2.63Å; L166-A169 PolarHBondContact O-N 2.69Å; A169-Q171 VanDerWaalsContact C-N 3.28Å; A169-Q171 PolarHBondContact O-N 2.73Å; A169-L172 PolarHBondContact O-N 3.07Å; A169-R173 WeakPolarHBondContact O-CA 3.23Å; A169-R173 VanDerWaalsContact O-CB 3.26Å; A169-R173 WeakPolarHBondContact O-CB 3.29Å; A169-R173 PolarHBondContact O-N 3.12Å; A169-F178 HydrophobicContact CB-CB 3.87Å; A169-F178 HydrophobicContact CB-CD1 3.69Å; A169-F178 HydrophobicContact CB-CD2 3.83Å; A169-F178 HydrophobicContact CB-CE1 4.19Å; A169-F178 HydrophobicContact CB-CE2 4.31Å; A169-F178 HydrophobicContact CB-CG 3.52Å; A169-F178 HydrophobicContact CB-CZ 4.49Å
170E92.2Very high92.8Very high93 Ų9333.1 Ų33.144%0.43516%0.155SC..Hα-helixtrans-61.3-38.8176.8-165.362.7-133.800111.8A127 L166 Q167 V168 R173A127-E170 HydrophobicContact CB-CB 4.34Å; A127-E170 WeakPolarHBondContact CB-OE2 3.35Å; L166-E170 PolarHBondContact O-N 2.9Å; Q167-E170 PolarHBondContact O-N 2.88Å; V168-E170 PolarHBondContact O-N 2.96Å; E170-R173 WeakPolarHBondContact O-CG 3.42Å; E170-R173 IonicContact OE1-NH1 2.8Å; E170-R173 PolarHBondContact OE1-NH1 2.92Å; E170-R173 IonicContact OE2-NH1 3.31Å
171Q88.9Confident93.2Very high73 Ų7331 Ų3134%0.34114%0.144SC..Hα-helixtrans-69.4-35.6178-174.166.11.700112.8Q167 V168 A169 L238Q167-Q171 PolarHBondContact O-N 3.09Å; V168-Q171 PolarHBondContact O-N 2.93Å; A169-Q171 VanDerWaalsContact C-N 3.28Å; A169-Q171 PolarHBondContact O-N 2.73Å; Q171-L238 HydrophobicContact CG-CD1 4.34Å
172L90.8Very high93.3Very high1 Ų132.8 Ų32.81%0.00516%0.157CC..Hα-helixtrans-109.24.8-170.6-63.1-171.3000114.8V168 A169 I174 F175 S176 F178 L238 T241 L242 I568V168-L172 HydrophobicContact CG1-CD1 4.02Å; V168-L172 HydrophobicContact CG1-CG 4.47Å; V168-L172 WeakPolarHBondContact O-CB 3.24Å; V168-L172 PolarHBondContact O-N 3.08Å; A169-L172 PolarHBondContact O-N 3.07Å; L172-I174 PolarHBondContact O-N 3.31Å; L172-F175 HydrophobicContact CD2-CD2 4.5Å; L172-F175 PolarHBondContact O-N 3.16Å; L172-S176 PolarHBondContact O-N 2.82Å; L172-F178 HydrophobicContact CB-CE2 3.9Å; L172-F178 HydrophobicContact CB-CZ 3.69Å; L172-F178 HydrophobicContact CD1-CZ 4.46Å; L172-L238 HydrophobicContact CD1-CD1 3.69Å; L172-L238 HydrophobicContact CD2-CD1 4.01Å; L172-L238 HydrophobicContact CG-CD1 3.77Å; L172-T241 HydrophobicContact CD1-CG2 3.49Å; L172-T241 VanDerWaalsContact CD1-CG2 3.49Å; L172-L242 HydrophobicContact CD1-CD2 3.99Å; L172-L242 HydrophobicContact CD1-CG 4.05Å; L172-L242 HydrophobicContact CD2-CD2 3.76Å; L172-L242 HydrophobicContact CD2-CG 4.42Å; L172-I568 HydrophobicContact CD2-CG2 3.34Å
173R91.9Very high93.1Very high20 Ų2035 Ų358%0.07517%0.169CC..THydrogen-bonded Turntrans-52.5-32.6-173.458.7179.9-63137.316.7115.6R122 G125 A127 A169 E170 F175R122-R173 VanDerWaalsContact CB-O 3.31Å; R122-R173 WeakPolarHBondContact CB-O 3.42Å; R122-R173 WeakPolarHBondContact CD-O 3.46Å; R122-R173 PolarHBondContact O-NH2 2.8Å; G125-R173 VanDerWaalsContact C-NH2 3.33Å; G125-R173 PolarHBondContact O-NH2 3.19Å; A127-R173 HydrophobicContact CB-CB 4.22Å; A127-R173 VanDerWaalsContact N-NH1 3.19Å; A169-R173 WeakPolarHBondContact O-CA 3.23Å; A169-R173 VanDerWaalsContact O-CB 3.26Å; A169-R173 WeakPolarHBondContact O-CB 3.29Å; A169-R173 PolarHBondContact O-N 3.12Å; E170-R173 WeakPolarHBondContact O-CG 3.42Å; E170-R173 IonicContact OE1-NH1 2.8Å; E170-R173 PolarHBondContact OE1-NH1 2.92Å; E170-R173 IonicContact OE2-NH1 3.31Å; R173-F175 VanDerWaalsContact C-N 3.29Å
174I90.1Very high92.8Very high12 Ų1232.6 Ų32.66%0.06217%0.17CC..THydrogen-bonded Turntrans-80.1-11.8-179.766177.1000112.9Y105 F119 R122 A123 L172 I568Y105-I174 HydrophobicContact CD1-CD1 4.04Å; Y105-I174 HydrophobicContact CD1-CG2 3.78Å; Y105-I174 HydrophobicContact CD2-CG2 3.89Å; Y105-I174 HydrophobicContact CE1-CG2 4.23Å; Y105-I174 HydrophobicContact CE2-CG2 4.33Å; Y105-I174 HydrophobicContact CG-CD1 4.37Å; Y105-I174 HydrophobicContact CG-CG2 3.6Å; F119-I174 HydrophobicContact CD2-CB 4.2Å; F119-I174 HydrophobicContact CE2-CB 4.13Å; F119-I174 HydrophobicContact CE2-CD1 4.23Å; F119-I174 HydrophobicContact CE2-CG2 4.26Å; R122-I174 WeakPolarHBondContact CD-O 3.32Å; A123-I174 HydrophobicContact CB-CG2 4.15Å; L172-I174 PolarHBondContact O-N 3.31Å; I174-I568 WeakPolarHBondContact CD1-O 3.49Å
175F88.5Confident92.7Very high33 Ų3332.4 Ų32.415%0.14517%0.169CC..THydrogen-bonded Turntrans-106.8-26.7-177.3-57.1-80.9000113.9R122 L172 R173 I568R122-F175 VanDerWaalsContact NH1-C 3.27Å; R122-F175 PolarHBondContact NH1-O 2.94Å; L172-F175 HydrophobicContact CD2-CD2 4.5Å; L172-F175 PolarHBondContact O-N 3.16Å; R173-F175 VanDerWaalsContact C-N 3.29Å; F175-I568 HydrophobicContact CD2-CG2 3.57Å; F175-I568 HydrophobicContact CE2-CB 3.83Å; F175-I568 HydrophobicContact CE2-CG1 4.28Å; F175-I568 HydrophobicContact CE2-CG2 3.11Å; F175-I568 WeakPolarHBondContact CE2-O 3.26Å; F175-I568 HydrophobicContact CZ-CB 4.12Å; F175-I568 HydrophobicContact CZ-CG1 4.17Å; F175-I568 HydrophobicContact CZ-CG2 3.85Å
176S92.5Very high92.2Very high4 Ų432.4 Ų32.43%0.02817%0.169CC..SBendtrans-143.1153.2-174.1-54.10000111.1L172 F178 R245L172-S176 PolarHBondContact O-N 2.82Å; S176-F178 WeakPolarHBondContact O-CD2 3.44Å; S176-F178 WeakPolarHBondContact O-CE2 3.32Å; S176-R245 VanDerWaalsContact OG-CB 3.26Å; S176-R245 WeakPolarHBondContact OG-CB 3.45Å
177W95.1Very high91.2Very high28 Ų2830 Ų3011%0.10616%0.157CC..EExtended strand (participates in β ladder)trans-85.4134.3170.1-62116000110.7T118 Q121 R122 L144 E148 F150 F151 F179T118-W177 HydrophobicContact CG2-CZ2 3.88Å; Q121-W177 HydrophobicContact CB-CH2 3.98Å; R122-W177 HydrophobicContact CB-CH2 4.28Å; R122-W177 HydrophobicContact CB-CZ3 4.22Å; R122-W177 HydrophobicContact CG-CD2 3.89Å; R122-W177 HydrophobicContact CG-CE3 3.64Å; R122-W177 HydrophobicContact CG-CH2 3.38Å; R122-W177 HydrophobicContact CG-CZ2 3.62Å; R122-W177 HydrophobicContact CG-CZ3 3.38Å; R122-W177 VanDerWaalsContact NE-CE2 3.33Å; L144-W177 HydrophobicContact CD2-CD2 4.33Å; L144-W177 HydrophobicContact CD2-CG 4.49Å; L144-W177 HydrophobicContact CD2-CZ2 3.96Å; E148-W177 PolarHBondContact OE1-NE1 2.77Å; E148-W177 PolarHBondContact OE2-NE1 3.34Å; F150-W177 HydrophobicContact CB-CB 3.82Å; F151-W177 PolarHBondContact N-O 3.2Å; W177-F179 HydrophobicContact CB-CE1 4.22Å; W177-F179 HydrophobicContact CB-CE2 4.03Å; W177-F179 HydrophobicContact CB-CZ 3.69Å; W177-F179 HydrophobicContact CG-CZ 4.18Å
178F97.7Very high89.8Confident4 Ų428.1 Ų28.12%0.01816%0.156CC..EExtended strand (participates in β ladder)trans-124.7129.7174.1-57.1-97.9000109.7A127 V128 K129 F151 F165 A169 L172 S176 T241A127-F178 WeakPolarHBondContact O-CB 3.17Å; V128-F178 VanDerWaalsContact CA-O 3.32Å; V128-F178 WeakPolarHBondContact CA-O 3.43Å; V128-F178 HydrophobicContact CB-CB 4.47Å; V128-F178 HydrophobicContact CG2-CB 3.86Å; K129-F178 PolarHBondContact N-O 3.16Å; F151-F178 HydrophobicContact CB-CD1 3.66Å; F151-F178 HydrophobicContact CB-CE1 4.01Å; F151-F178 HydrophobicContact CB-CG 4.44Å; F151-F178 HydrophobicContact CD2-CD1 4.27Å; F151-F178 AromaticContact CD2-CE1 3.88Å; F151-F178 HydrophobicContact CD2-CE1 3.88Å; F151-F178 HydrophobicContact CD2-CZ 4.25Å; F151-F178 HydrophobicContact CG-CD1 4.17Å; F151-F178 AromaticContact CG-CE1 3.99Å; F151-F178 HydrophobicContact CG-CE1 3.99Å; F151-F178 CarbonylContact O-C 3.59Å; F151-F178 WeakPolarHBondContact O-CA 3.09Å; F165-F178 HydrophobicContact CE1-CB 4.29Å; F165-F178 HydrophobicContact CE1-CD1 4.32Å; F165-F178 HydrophobicContact CE2-CD1 4.01Å; F165-F178 HydrophobicContact CZ-CB 4.15Å; F165-F178 AromaticContact CZ-CD1 3.71Å; F165-F178 HydrophobicContact CZ-CD1 3.71Å; F165-F178 HydrophobicContact CZ-CG 4.44Å; A169-F178 HydrophobicContact CB-CB 3.87Å; A169-F178 HydrophobicContact CB-CD1 3.69Å; A169-F178 HydrophobicContact CB-CD2 3.83Å; A169-F178 HydrophobicContact CB-CE1 4.19Å; A169-F178 HydrophobicContact CB-CE2 4.31Å; A169-F178 HydrophobicContact CB-CG 3.52Å; A169-F178 HydrophobicContact CB-CZ 4.49Å; L172-F178 HydrophobicContact CB-CE2 3.9Å; L172-F178 HydrophobicContact CB-CZ 3.69Å; L172-F178 HydrophobicContact CD1-CZ 4.46Å; S176-F178 WeakPolarHBondContact O-CD2 3.44Å; S176-F178 WeakPolarHBondContact O-CE2 3.32Å; F178-T241 HydrophobicContact CE1-CG2 3.68Å; F178-T241 HydrophobicContact CZ-CG2 3.72Å
179F96.7Very high88.7Confident2 Ų232 Ų321%0.00918%0.181CC..EExtended strand (participates in β ladder)trans-126.4162.5-177.4-56.6-42.4000111.1K129 F131 F137 H140 L141 L144 F150 F151 F152 L153 W177K129-F179 HydrophobicContact CB-CD1 3.92Å; K129-F179 HydrophobicContact CB-CE1 4.25Å; K129-F179 CarbonylContact O-C 3.56Å; K129-F179 VanDerWaalsContact O-CA 3.23Å; K129-F179 WeakPolarHBondContact O-CA 3.23Å; F131-F179 HydrophobicContact CD2-CB 4.29Å; F131-F179 HydrophobicContact CE2-CB 4.09Å; F131-F179 AromaticContact CE2-CD1 3.61Å; F131-F179 HydrophobicContact CE2-CD1 3.61Å; F131-F179 HydrophobicContact CE2-CE1 4.14Å; F131-F179 AromaticContact CE2-CG 3.83Å; F131-F179 HydrophobicContact CE2-CG 3.83Å; F131-F179 HydrophobicContact CZ-CD1 4.39Å; F137-F179 HydrophobicContact CE2-CB 4.49Å; F137-F179 AromaticContact CE2-CD2 3.83Å; F137-F179 HydrophobicContact CE2-CD2 3.83Å; F137-F179 HydrophobicContact CE2-CE2 4.43Å; F137-F179 HydrophobicContact CE2-CG 4.35Å; H140-F179 AromaticContact CD2-CE1 3.66Å; H140-F179 AromaticContact CD2-CZ 3.42Å; H140-F179 VanDerWaalsContact CD2-CZ 3.42Å; H140-F179 WeakPolarHBondContact CD2-CZ 3.29Å; H140-F179 AromaticContact NE2-CE1 3.46Å; H140-F179 WeakPolarHBondContact NE2-CE1 3.48Å; H140-F179 AromaticContact NE2-CZ 3.41Å; H140-F179 WeakPolarHBondContact NE2-CZ 3.46Å; L141-F179 HydrophobicContact CD2-CE2 4.25Å; L144-F179 HydrophobicContact CD1-CE2 4.1Å; L144-F179 HydrophobicContact CD1-CZ 4.07Å; F150-F179 HydrophobicContact CB-CD2 4.13Å; F150-F179 HydrophobicContact CB-CE2 3.8Å; F150-F179 AromaticContact CD2-CD2 3.53Å; F150-F179 HydrophobicContact CD2-CD2 3.53Å; F150-F179 AromaticContact CD2-CE2 3.85Å; F150-F179 HydrophobicContact CD2-CE2 3.85Å; F150-F179 HydrophobicContact CE2-CD2 4.15Å; F150-F179 AromaticContact CG-CD2 4Å; F150-F179 HydrophobicContact CG-CD2 4Å; F150-F179 AromaticContact CG-CE2 3.83Å; F150-F179 HydrophobicContact CG-CE2 3.83Å; F151-F179 PolarHBondContact O-N 3.48Å; F152-F179 CarbonylContact C-O 3.49Å; F152-F179 WeakPolarHBondContact CA-O 3.5Å; F152-F179 HydrophobicContact CD2-CB 3.59Å; F152-F179 HydrophobicContact CE2-CB 4Å; F152-F179 HydrophobicContact CG-CB 4.44Å; L153-F179 PolarHBondContact N-O 3.06Å; W177-F179 HydrophobicContact CB-CE1 4.22Å; W177-F179 HydrophobicContact CB-CE2 4.03Å; W177-F179 HydrophobicContact CB-CZ 3.69Å; W177-F179 HydrophobicContact CG-CZ 4.18Å
180S96.8Very high87.5Confident6 Ų635 Ų354%0.04219%0.193CC..EExtended strand (participates in β ladder)trans-146.8154.3170.465.30000111.4K129 H130 F131 L153K129-S180 PolarHBondContact O-N 3.16Å; H130-S180 CarbonylContact C-O 3.55Å; H130-S180 WeakPolarHBondContact CA-O 3.48Å; H130-S180 PolarHBondContact ND1-O 3.12Å; H130-S180 PolarHBondContact ND1-OG 2.66Å; F131-S180 PolarHBondContact N-O 2.82Å; L153-S180 VanDerWaalsContact O-CA 3.26Å; L153-S180 WeakPolarHBondContact O-CA 3.47Å
181G95Very high86.4Confident0 Ų032.8 Ų32.80%018%0.184CC..EExtended strand (participates in β ladder)trans175.9172.1179.700000111F131 F152 L153 I154 K155F131-G181 WeakPolarHBondContact O-CA 3.34Å; F152-G181 VanDerWaalsContact CZ-N 3.35Å; L153-G181 PolarHBondContact O-N 3.21Å; I154-G181 CarbonylContact C-O 3.57Å; I154-G181 WeakPolarHBondContact CA-O 3.42Å; K155-G181 PolarHBondContact N-O 3.09Å
182S91.5Very high85.4Confident43 Ų4335 Ų3530%0.30119%0.194SC..EExtended strand (participates in β ladder)trans-71.4162.7170.359.10000110.9K155 S184 V185K155-S182 WeakPolarHBondContact O-CA 3.23Å; S182-S184 PolarHBondContact O-N 3.17Å; S182-S184 VanDerWaalsContact O-N 3.08Å; S182-S184 PolarHBondContact OG-OG 3.15Å; S182-V185 WeakPolarHBondContact O-CB 3.45Å; S182-V185 PolarHBondContact O-N 2.97Å
183L87.4Confident84.2Confident93 Ų9336.3 Ų36.349%0.48720%0.202SC..THydrogen-bonded Turntrans-57.2-26176.7-174.960.5000112.9I154 V185 I186I154-L183 HydrophobicContact CD1-CD1 4.07Å; I154-L183 HydrophobicContact CG2-CB 4.25Å; L183-V185 VanDerWaalsContact C-N 3.26Å; L183-V185 PolarHBondContact O-N 3.03Å; L183-I186 HydrophobicContact CD1-CD1 4.3Å; L183-I186 PolarHBondContact O-N 2.99Å
184S87.4Confident83.1Confident89 Ų8935.8 Ų35.862%0.62220%0.201SC*.THydrogen-bonded Turntrans-71.5-15.9177.459.20000114.5S182S182-S184 PolarHBondContact O-N 3.17Å; S182-S184 VanDerWaalsContact O-N 3.08Å; S182-S184 PolarHBondContact OG-OG 3.15Å
185V89.8Confident82Confident0 Ų043.5 Ų43.50%023%0.234CC..THydrogen-bonded Turntrans-77.1-35.9177.8174.50000111F131 E132 S134 F137 F152 S182 L183 T187F131-V185 HydrophobicContact CB-CG1 3.66Å; F131-V185 WeakPolarHBondContact O-CG2 3.44Å; E132-V185 WeakPolarHBondContact O-CG2 3.3Å; S134-V185 WeakPolarHBondContact CA-O 3.26Å; S134-V185 WeakPolarHBondContact CB-O 3.4Å; F137-V185 HydrophobicContact CB-CG1 3.58Å; F137-V185 HydrophobicContact CD1-CG1 4.18Å; F137-V185 HydrophobicContact CG-CG1 3.9Å; F152-V185 HydrophobicContact CZ-CG1 4.5Å; S182-V185 WeakPolarHBondContact O-CB 3.45Å; S182-V185 PolarHBondContact O-N 2.97Å; L183-V185 VanDerWaalsContact C-N 3.26Å; L183-V185 PolarHBondContact O-N 3.03Å; V185-T187 PolarHBondContact O-N 3.09Å
186I84.7Confident80.7Confident0 Ų046.4 Ų46.40%026%0.258CS..SBendtrans-69.1125.6175-57.4170.7000106.9F152 I154 L183 I191 L194 L205 F207F152-I186 HydrophobicContact CD1-CD1 3.94Å; F152-I186 HydrophobicContact CD1-CG1 4.41Å; F152-I186 HydrophobicContact CE1-CD1 3.84Å; F152-I186 HydrophobicContact CE1-CG1 4Å; F152-I186 HydrophobicContact CE2-CG1 4.36Å; F152-I186 HydrophobicContact CZ-CD1 4.33Å; F152-I186 HydrophobicContact CZ-CG1 3.97Å; I154-I186 HydrophobicContact CD1-CD1 4.27Å; I154-I186 HydrophobicContact CG1-CD1 4.07Å; L183-I186 HydrophobicContact CD1-CD1 4.3Å; L183-I186 PolarHBondContact O-N 2.99Å; I186-I191 HydrophobicContact CB-CG1 4.49Å; I186-I191 HydrophobicContact CG2-CG1 4.17Å; I186-I191 WeakPolarHBondContact O-CD1 3.42Å; I186-I191 WeakPolarHBondContact O-CG1 3.36Å; I186-L194 HydrophobicContact CD1-CD1 4.24Å; I186-L194 HydrophobicContact CG2-CD1 3.97Å; I186-L205 HydrophobicContact CD1-CD1 4.31Å; I186-F207 HydrophobicContact CD1-CZ 4.2Å; I186-F207 HydrophobicContact CG2-CZ 4.27Å
187T75.3Confident79.3Confident22 Ų2248 Ų4814%0.13527%0.269CS..  trans-106.6172.9-178.751.60000113.3E138 V185 Y190 I191E138-T187 HydrophobicContact CG-CG2 4.47Å; E138-T187 WeakPolarHBondContact CG-OG1 3.45Å; E138-T187 WeakPolarHBondContact OE1-CB 3.45Å; E138-T187 WeakPolarHBondContact OE1-CG2 3.33Å; E138-T187 PolarHBondContact OE1-OG1 2.89Å; V185-T187 PolarHBondContact O-N 3.09Å; T187-Y190 WeakPolarHBondContact O-CA 3.39Å; T187-Y190 VanDerWaalsContact O-CB 3.28Å; T187-Y190 WeakPolarHBondContact O-CB 3.28Å; T187-Y190 PolarHBondContact O-N 3.35Å; T187-I191 PolarHBondContact O-N 3.22Å; T187-I191 VanDerWaalsContact O-N 3.11Å
188S65.1Low77.5Confident67 Ų6751.9 Ų51.947%0.46930%0.301SS..THydrogen-bonded Turntrans-64.4140.3169174.90000109.4E192S188-E192 PolarHBondContact OG-OE1 3.36Å
189P69.3Low75.7Confident82 Ų8255.8 Ų55.853%0.53232%0.322SS..THydrogen-bonded Turncis-84.8-12.111.432.5-34.8000115I191 E192 T193P189-I191 VanDerWaalsContact C-N 3.34Å; P189-I191 PolarHBondContact O-N 2.92Å; P189-E192 WeakPolarHBondContact O-CB 3.36Å; P189-E192 PolarHBondContact O-N 3.1Å; P189-T193 PolarHBondContact O-N 2.82Å; P189-T193 PolarHBondContact O-OG1 3.41Å
190Y71.1Confident74Confident64 Ų6459.2 Ų59.225%0.25134%0.34SS..Hα-helixtrans-57.6-41.3-174.3-62.9-64.1000113.8L141 T187 E192 T193 L194 F207 V212L141-Y190 HydrophobicContact CD1-CE2 3.77Å; T187-Y190 WeakPolarHBondContact O-CA 3.39Å; T187-Y190 VanDerWaalsContact O-CB 3.28Å; T187-Y190 WeakPolarHBondContact O-CB 3.28Å; T187-Y190 PolarHBondContact O-N 3.35Å; Y190-E192 VanDerWaalsContact C-N 3.27Å; Y190-E192 PolarHBondContact O-N 2.79Å; Y190-T193 PolarHBondContact O-N 3.26Å; Y190-L194 WeakPolarHBondContact O-CB 3.41Å; Y190-L194 WeakPolarHBondContact O-CD1 3.15Å; Y190-L194 PolarHBondContact O-N 3.43Å; Y190-F207 AromaticContact CD1-CD1 3.31Å; Y190-F207 HydrophobicContact CD1-CD1 3.31Å; Y190-F207 AromaticContact CD1-CE1 3.52Å; Y190-F207 HydrophobicContact CD1-CE1 3.52Å; Y190-F207 AromaticContact CE1-CD1 3.69Å; Y190-F207 HydrophobicContact CE1-CD1 3.69Å; Y190-F207 HydrophobicContact CE1-CE1 4.32Å; Y190-F207 AromaticContact CG-CD1 4Å; Y190-F207 HydrophobicContact CG-CD1 4Å; Y190-F207 AromaticContact CG-CE1 3.78Å; Y190-F207 HydrophobicContact CG-CE1 3.78Å; Y190-V212 HydrophobicContact CD1-CG2 4.37Å
191I68.8Low72.4Confident45 Ų4564 Ų6423%0.23136%0.36CS..Hα-helixtrans-58.9-39.8175.8-60.4177000111.4I186 T187 P189 L194 K195I186-I191 HydrophobicContact CB-CG1 4.49Å; I186-I191 HydrophobicContact CG2-CG1 4.17Å; I186-I191 WeakPolarHBondContact O-CD1 3.42Å; I186-I191 WeakPolarHBondContact O-CG1 3.36Å; T187-I191 PolarHBondContact O-N 3.22Å; T187-I191 VanDerWaalsContact O-N 3.11Å; P189-I191 VanDerWaalsContact C-N 3.34Å; P189-I191 PolarHBondContact O-N 2.92Å; I191-L194 WeakPolarHBondContact O-CB 3.44Å; I191-L194 PolarHBondContact O-N 3Å; I191-K195 HydrophobicContact CG2-CD 3.79Å; I191-K195 VanDerWaalsContact CG2-CE 3.43Å; I191-K195 HydrophobicContact CG2-CG 4.04Å; I191-K195 WeakPolarHBondContact O-CB 3.22Å; I191-K195 WeakPolarHBondContact O-CG 3.48Å; I191-K195 PolarHBondContact O-N 3.39Å
192E67.2Low71.6Confident121 Ų12164.5 Ų64.557%0.56536%0.363SS*.Hα-helixtrans-67.4-42.2-177.3-68.2169.7-151.600110.2S188 P189 Y190 K195 S196S188-E192 PolarHBondContact OG-OE1 3.36Å; P189-E192 WeakPolarHBondContact O-CB 3.36Å; P189-E192 PolarHBondContact O-N 3.1Å; Y190-E192 VanDerWaalsContact C-N 3.27Å; Y190-E192 PolarHBondContact O-N 2.79Å; E192-K195 PolarHBondContact O-N 3.24Å; E192-S196 VanDerWaalsContact O-CB 3.3Å; E192-S196 WeakPolarHBondContact O-CB 3.26Å; E192-S196 PolarHBondContact O-N 3.14Å; E192-S196 PolarHBondContact O-OG 3.26Å
193T66.2Low71.3Confident28 Ų2865.1 Ų65.117%0.17236%0.361CS..Hα-helixtrans-59.4-46.9171.6-45.20000111.2P189 Y190 S196 S197 V212P189-T193 PolarHBondContact O-N 2.82Å; P189-T193 PolarHBondContact O-OG1 3.41Å; Y190-T193 PolarHBondContact O-N 3.26Å; T193-S196 WeakPolarHBondContact CA-OG 3.44Å; T193-S196 PolarHBondContact O-N 2.99Å; T193-S196 PolarHBondContact O-OG 3.17Å; T193-S197 PolarHBondContact O-N 3.4Å; T193-V212 HydrophobicContact CG2-CB 4.3Å; T193-V212 HydrophobicContact CG2-CG2 3.98Å
194L68.8Low71.5Confident9 Ų960.7 Ų60.75%0.04734%0.338CS..Hα-helixtrans-57.2-49.3174.7-99.8134.2000112.7I154 I186 Y190 I191 S196 S197 I200 L205 F207 V212I154-L194 HydrophobicContact CD1-CD2 4.42Å; I186-L194 HydrophobicContact CD1-CD1 4.24Å; I186-L194 HydrophobicContact CG2-CD1 3.97Å; Y190-L194 WeakPolarHBondContact O-CB 3.41Å; Y190-L194 WeakPolarHBondContact O-CD1 3.15Å; Y190-L194 PolarHBondContact O-N 3.43Å; I191-L194 WeakPolarHBondContact O-CB 3.44Å; I191-L194 PolarHBondContact O-N 3Å; L194-S196 VanDerWaalsContact C-N 3.32Å; L194-S196 PolarHBondContact O-N 3.2Å; L194-S197 PolarHBondContact O-N 3.06Å; L194-I200 HydrophobicContact CB-CD1 4.33Å; L194-I200 HydrophobicContact CD2-CD1 3.41Å; L194-I200 VanDerWaalsContact CD2-CD1 3.41Å; L194-I200 HydrophobicContact CD2-CG1 4.26Å; L194-I200 HydrophobicContact CG-CD1 4.29Å; L194-I200 VanDerWaalsContact O-CD1 3.31Å; L194-I200 WeakPolarHBondContact O-CD1 3.16Å; L194-L205 HydrophobicContact CD1-CD1 3.95Å; L194-L205 HydrophobicContact CD2-CD1 3.53Å; L194-L205 HydrophobicContact CD2-CD2 4.36Å; L194-L205 HydrophobicContact CG-CD1 4.17Å; L194-F207 HydrophobicContact CD1-CE1 4.28Å; L194-F207 HydrophobicContact CD1-CZ 4.03Å; L194-V212 HydrophobicContact CD1-CG1 4.19Å; L194-V212 HydrophobicContact CD1-CG2 4.46Å; L194-V212 HydrophobicContact CG-CG1 4.12Å
195K67.6Low71.7Confident174 Ų17456.5 Ų56.576%0.75731%0.308SS*.Hα-helixtrans-67.6-31.6-179.6-75.2178.4179.6173.80112.9I191 E192 S197I191-K195 HydrophobicContact CG2-CD 3.79Å; I191-K195 VanDerWaalsContact CG2-CE 3.43Å; I191-K195 HydrophobicContact CG2-CG 4.04Å; I191-K195 WeakPolarHBondContact O-CB 3.22Å; I191-K195 WeakPolarHBondContact O-CG 3.48Å; I191-K195 PolarHBondContact O-N 3.39Å; E192-K195 PolarHBondContact O-N 3.24Å; K195-S197 VanDerWaalsContact C-N 3.32Å
196S60.9Low71.8Confident94 Ų9456.5 Ų56.566%0.65731%0.308SS*.Hα-helixtrans-75.4-22.717672.40000112.9E192 T193 L194 S198E192-S196 VanDerWaalsContact O-CB 3.3Å; E192-S196 WeakPolarHBondContact O-CB 3.26Å; E192-S196 PolarHBondContact O-N 3.14Å; E192-S196 PolarHBondContact O-OG 3.26Å; T193-S196 WeakPolarHBondContact CA-OG 3.44Å; T193-S196 PolarHBondContact O-N 2.99Å; T193-S196 PolarHBondContact O-OG 3.17Å; L194-S196 VanDerWaalsContact C-N 3.32Å; L194-S196 PolarHBondContact O-N 3.2Å; S196-S198 PolarHBondContact O-N 3.28Å
197S62.2Low72.1Confident37 Ų3756.6 Ų56.626%0.25931%0.309SS..  trans-79.2110.8178.5-174.60000110T193 L194 K195 D199T193-S197 PolarHBondContact O-N 3.4Å; L194-S197 PolarHBondContact O-N 3.06Å; K195-S197 VanDerWaalsContact C-N 3.32Å; S197-D199 PolarHBondContact O-N 3.38Å; S197-D199 VanDerWaalsContact O-N 3.16Å; S197-D199 PolarHBondContact OG-N 3.34Å
198S57.5Low72.8Confident110 Ų11056.3 Ų56.377%0.76931%0.306SS*.THydrogen-bonded Turntrans-66.6-4.6168.549.70000113.5S196S196-S198 PolarHBondContact O-N 3.28Å
199D60.9Low73.8Confident85 Ų8555.1 Ų55.146%0.45529%0.294SS..THydrogen-bonded Turntrans-114.227-159.4-58.6-12.2000111.9S197 F201 S214S197-D199 PolarHBondContact O-N 3.38Å; S197-D199 VanDerWaalsContact O-N 3.16Å; S197-D199 PolarHBondContact OG-N 3.34Å; D199-F201 HydrophobicContact CB-CE2 3.79Å; D199-F201 HydrophobicContact CB-CZ 3.98Å; D199-F201 WeakPolarHBondContact O-CD2 3.3Å; D199-F201 WeakPolarHBondContact O-CE2 3.48Å; D199-F201 PolarHBondContact O-N 3.45Å; D199-S214 PolarHBondContact O-OG 3.34Å
200I60.7Low74.5Confident75 Ų7556.1 Ų56.139%0.38530%0.303SS..  trans-80.2103.1172.4-58.6165.7000108.5L194 T202L194-I200 HydrophobicContact CB-CD1 4.33Å; L194-I200 HydrophobicContact CD2-CD1 3.41Å; L194-I200 VanDerWaalsContact CD2-CD1 3.41Å; L194-I200 HydrophobicContact CD2-CG1 4.26Å; L194-I200 HydrophobicContact CG-CD1 4.29Å; L194-I200 VanDerWaalsContact O-CD1 3.31Å; L194-I200 WeakPolarHBondContact O-CD1 3.16Å; I200-T202 WeakPolarHBondContact CG2-O 3.42Å
201F63.8Low75.1Confident106 Ų10657.2 Ų57.247%0.46531%0.311SS..  trans-91.9-29.7-178.3-59.1-71.5000112.9D199 S214 P216 F219D199-F201 HydrophobicContact CB-CE2 3.79Å; D199-F201 HydrophobicContact CB-CZ 3.98Å; D199-F201 WeakPolarHBondContact O-CD2 3.3Å; D199-F201 WeakPolarHBondContact O-CE2 3.48Å; D199-F201 PolarHBondContact O-N 3.45Å; F201-S214 WeakPolarHBondContact CD2-OG 3.47Å; F201-S214 PolarHBondContact N-OG 3.48Å; F201-S214 VanDerWaalsContact N-OG 3.13Å; F201-P216 HydrophobicContact CD2-CB 4.37Å; F201-F219 HydrophobicContact CB-CZ 4.29Å
202T76.6Confident76Confident11 Ų1155.7 Ų55.77%0.06730%0.303CS..SBendtrans-144.8170.2-175.666.90000111.6L161 I200 I204 Y215L161-T202 HydrophobicContact CD1-CG2 4.41Å; I200-T202 WeakPolarHBondContact CG2-O 3.42Å; T202-I204 PolarHBondContact O-N 2.87Å; T202-I204 PolarHBondContact OG1-N 2.83Å; T202-Y215 WeakPolarHBondContact CB-O 3.37Å; T202-Y215 HydrophobicContact CG2-CD1 4.06Å; T202-Y215 VanDerWaalsContact CG2-O 3.23Å; T202-Y215 WeakPolarHBondContact CG2-O 3.45Å; T202-Y215 WeakPolarHBondContact OG1-CB 3.35Å; T202-Y215 PolarHBondContact OG1-O 3.29Å
203E85.2Confident76.9Confident55 Ų5551.9 Ų51.926%0.25728%0.284SS..SBendtrans-76.4-0.9177.6-54.794.2142.300113.7L153 I154 A157 N158 L161L153-E203 HydrophobicContact CD1-CB 4.42Å; I154-E203 HydrophobicContact CB-CB 4.21Å; I154-E203 PolarHBondContact N-O 2.86Å; I154-E203 WeakPolarHBondContact O-CB 3.49Å; A157-E203 WeakPolarHBondContact CA-OE1 3.42Å; A157-E203 HydrophobicContact CB-CB 3.86Å; A157-E203 HydrophobicContact CB-CG 3.96Å; N158-E203 PolarHBondContact N-OE1 3.49Å; N158-E203 VanDerWaalsContact N-OE1 3.17Å; L161-E203 VanDerWaalsContact CD1-OE2 3.26Å; L161-E203 WeakPolarHBondContact CD1-OE2 3.24Å
204I91.9Very high77.9Confident0 Ų051.4 Ų51.40%028%0.282CS..EExtended strand (participates in β ladder)trans-101.3123.4179.6-61.9167.2000109.3L153 L161 F165 T202 Y215 L237 W240L153-I204 HydrophobicContact CD1-CG1 3.73Å; L161-I204 HydrophobicContact CB-CD1 4.49Å; L161-I204 HydrophobicContact CD2-CD1 4.16Å; F165-I204 HydrophobicContact CB-CD1 3.98Å; F165-I204 HydrophobicContact CB-CG1 4.44Å; F165-I204 HydrophobicContact CD2-CB 4.44Å; F165-I204 HydrophobicContact CD2-CD1 3.91Å; F165-I204 HydrophobicContact CD2-CG1 3.88Å; F165-I204 HydrophobicContact CD2-CG2 3.73Å; F165-I204 HydrophobicContact CE2-CG2 3.77Å; F165-I204 HydrophobicContact CG-CD1 4.34Å; F165-I204 HydrophobicContact CG-CG1 4.39Å; T202-I204 PolarHBondContact O-N 2.87Å; T202-I204 PolarHBondContact OG1-N 2.83Å; I204-Y215 HydrophobicContact CD1-CD1 4.26Å; I204-Y215 PolarHBondContact O-N 3.11Å; I204-L237 HydrophobicContact CD1-CD1 3.99Å; I204-L237 HydrophobicContact CD1-CD2 3.84Å; I204-L237 HydrophobicContact CG2-CD1 4.3Å; I204-W240 HydrophobicContact CG2-CH2 4.39Å; I204-W240 HydrophobicContact CG2-CZ3 3.92Å
205L92Very high78.8Confident1 Ų151 Ų511%0.00528%0.28CS..EExtended strand (participates in β ladder)trans-121.8154.2-177.6-55.1179.2000111.4F151 F152 I154 I186 L194 F207 V212 Y213F151-L205 CarbonylContact C-O 3.57Å; F151-L205 VanDerWaalsContact CA-O 3.3Å; F151-L205 WeakPolarHBondContact CA-O 3.47Å; F152-L205 PolarHBondContact N-O 2.79Å; F152-L205 PolarHBondContact O-N 3.41Å; I154-L205 HydrophobicContact CD1-CD1 3.51Å; I154-L205 HydrophobicContact CD1-CG 4.11Å; I154-L205 HydrophobicContact CG1-CD1 4.13Å; I186-L205 HydrophobicContact CD1-CD1 4.31Å; L194-L205 HydrophobicContact CD1-CD1 3.95Å; L194-L205 HydrophobicContact CD2-CD1 3.53Å; L194-L205 HydrophobicContact CD2-CD2 4.36Å; L194-L205 HydrophobicContact CG-CD1 4.17Å; L205-F207 HydrophobicContact CB-CD2 4.46Å; L205-F207 HydrophobicContact CB-CE2 3.88Å; L205-F207 HydrophobicContact CB-CZ 4.49Å; L205-F207 HydrophobicContact CD1-CE2 4.1Å; L205-F207 HydrophobicContact CD1-CZ 4.01Å; L205-V212 HydrophobicContact CB-CG1 4.13Å; L205-V212 HydrophobicContact CD1-CG1 4.02Å; L205-V212 HydrophobicContact CD2-CG1 4.32Å; L205-V212 HydrophobicContact CG-CG1 4.4Å; L205-Y213 CarbonylContact C-O 3.56Å; L205-Y213 WeakPolarHBondContact CA-O 3.35Å
206V92.6Very high79.4Confident0 Ų045.3 Ų45.30%026%0.261CS..EExtended strand (participates in β ladder)trans-122132.9163.362.60000109.5F150 F151 K208 V212 Y213 W240 E244F150-V206 WeakPolarHBondContact O-CA 3Å; F151-V206 HydrophobicContact CD1-CB 3.73Å; F151-V206 HydrophobicContact CD1-CG2 3.92Å; F151-V206 HydrophobicContact CE1-CB 3.64Å; F151-V206 HydrophobicContact CE1-CG2 3.61Å; F151-V206 HydrophobicContact CE2-CG2 4.35Å; F151-V206 HydrophobicContact CG-CG2 4.43Å; F151-V206 HydrophobicContact CZ-CB 4.37Å; F151-V206 HydrophobicContact CZ-CG2 3.83Å; V206-K208 HydrophobicContact CG2-CD 4.46Å; V206-K208 HydrophobicContact CG2-CG 4.47Å; V206-V212 WeakPolarHBondContact O-CA 3.47Å; V206-Y213 HydrophobicContact CG1-CD2 4.13Å; V206-Y213 HydrophobicContact CG1-CG 4.45Å; V206-Y213 PolarHBondContact N-O 3.18Å; V206-Y213 PolarHBondContact O-N 2.96Å; V206-W240 HydrophobicContact CB-CH2 3.95Å; V206-W240 HydrophobicContact CG1-CH2 3.78Å; V206-W240 HydrophobicContact CG1-CZ2 3.85Å; V206-E244 HydrophobicContact CB-CB 4.39Å; V206-E244 HydrophobicContact CG1-CB 4.03Å; V206-E244 HydrophobicContact CG1-CG 4.17Å; V206-E244 HydrophobicContact CG2-CB 4.18Å
207F90.9Very high80.1Confident3 Ų341.5 Ų41.51%0.01324%0.236CC..EExtended strand (participates in β ladder)trans-106.2117.5176.7-69.5-92.4000108.3P149 F150 F152 I186 Y190 L194 L205 V212P149-F207 VanDerWaalsContact CA-O 3.3Å; P149-F207 WeakPolarHBondContact CA-O 3.46Å; F150-F207 HydrophobicContact CD1-CB 3.89Å; F150-F207 HydrophobicContact CD2-CB 3.96Å; F150-F207 AromaticContact CD2-CD2 3.78Å; F150-F207 HydrophobicContact CD2-CD2 3.78Å; F150-F207 HydrophobicContact CD2-CG 4.13Å; F150-F207 HydrophobicContact CE1-CB 3.45Å; F150-F207 VanDerWaalsContact CE1-CB 3.45Å; F150-F207 HydrophobicContact CE1-CG 4.08Å; F150-F207 HydrophobicContact CE2-CB 3.53Å; F150-F207 HydrophobicContact CE2-CD1 4.26Å; F150-F207 AromaticContact CE2-CD2 3.17Å; F150-F207 HydrophobicContact CE2-CD2 3.17Å; F150-F207 AromaticContact CE2-CE2 3.93Å; F150-F207 HydrophobicContact CE2-CE2 3.93Å; F150-F207 AromaticContact CE2-CG 3.37Å; F150-F207 HydrophobicContact CE2-CG 3.37Å; F150-F207 HydrophobicContact CG-CB 4.14Å; F150-F207 HydrophobicContact CZ-CB 3.26Å; F150-F207 AromaticContact CZ-CD1 3.95Å; F150-F207 HydrophobicContact CZ-CD1 3.95Å; F150-F207 AromaticContact CZ-CD2 3.7Å; F150-F207 HydrophobicContact CZ-CD2 3.7Å; F150-F207 AromaticContact CZ-CG 3.34Å; F150-F207 HydrophobicContact CZ-CG 3.34Å; F150-F207 PolarHBondContact N-O 2.83Å; F150-F207 VanDerWaalsContact N-O 3.1Å; F150-F207 PolarHBondContact O-N 2.88Å; F152-F207 HydrophobicContact CB-CD2 4.09Å; F152-F207 HydrophobicContact CB-CE2 3.63Å; F152-F207 HydrophobicContact CG-CE2 4.27Å; I186-F207 HydrophobicContact CD1-CZ 4.2Å; I186-F207 HydrophobicContact CG2-CZ 4.27Å; Y190-F207 AromaticContact CD1-CD1 3.31Å; Y190-F207 HydrophobicContact CD1-CD1 3.31Å; Y190-F207 AromaticContact CD1-CE1 3.52Å; Y190-F207 HydrophobicContact CD1-CE1 3.52Å; Y190-F207 AromaticContact CE1-CD1 3.69Å; Y190-F207 HydrophobicContact CE1-CD1 3.69Å; Y190-F207 HydrophobicContact CE1-CE1 4.32Å; Y190-F207 AromaticContact CG-CD1 4Å; Y190-F207 HydrophobicContact CG-CD1 4Å; Y190-F207 AromaticContact CG-CE1 3.78Å; Y190-F207 HydrophobicContact CG-CE1 3.78Å; L194-F207 HydrophobicContact CD1-CE1 4.28Å; L194-F207 HydrophobicContact CD1-CZ 4.03Å; L205-F207 HydrophobicContact CB-CD2 4.46Å; L205-F207 HydrophobicContact CB-CE2 3.88Å; L205-F207 HydrophobicContact CB-CZ 4.49Å; L205-F207 HydrophobicContact CD1-CE2 4.1Å; L205-F207 HydrophobicContact CD1-CZ 4.01Å; F207-V212 HydrophobicContact CD1-CB 4.39Å; F207-V212 HydrophobicContact CD1-CG1 4.18Å; F207-V212 HydrophobicContact CD1-CG2 3.54Å; F207-V212 HydrophobicContact CE1-CB 4.17Å; F207-V212 HydrophobicContact CE1-CG1 3.75Å; F207-V212 HydrophobicContact CE1-CG2 3.31Å; F207-V212 HydrophobicContact CE2-CG1 4.31Å; F207-V212 HydrophobicContact CZ-CG1 3.84Å; F207-V212 HydrophobicContact CZ-CG2 4.23Å
208K89.7Confident80.5Confident15 Ų1542.4 Ų42.47%0.06524%0.238CC..EExtended strand (participates in β ladder)trans-166161.2176.863.9175.6-176-175.50111P149 V206 S210 Q211 Y213 E244 Q246P149-K208 HydrophobicContact CB-CB 3.87Å; P149-K208 HydrophobicContact CG-CB 3.88Å; P149-K208 HydrophobicContact CG-CD 4.5Å; V206-K208 HydrophobicContact CG2-CD 4.46Å; V206-K208 HydrophobicContact CG2-CG 4.47Å; K208-S210 PolarHBondContact O-N 3.28Å; K208-S210 VanDerWaalsContact O-N 3.07Å; K208-Q211 PolarHBondContact N-O 3.25Å; K208-Q211 VanDerWaalsContact N-O 3.12Å; K208-Q211 CarbonylContact O-C 3.58Å; K208-Q211 WeakPolarHBondContact O-CA 3.41Å; K208-Q211 PolarHBondContact O-N 3.44Å; K208-Y213 HydrophobicContact CG-CD2 4.2Å; K208-Y213 HydrophobicContact CG-CE2 4.02Å; K208-E244 WeakPolarHBondContact CD-O 3.5Å; K208-E244 WeakPolarHBondContact CE-OE2 3.24Å; K208-E244 PolarHBondContact NZ-O 3.48Å; K208-E244 IonicContact NZ-OE2 3.6Å; K208-E244 PolarHBondContact NZ-OE2 3.39Å; K208-Q246 WeakPolarHBondContact CD-O 3.46Å; K208-Q246 PolarHBondContact NZ-O 3.35Å
209D86.3Confident80.4Confident42 Ų4240.7 Ų40.723%0.22522%0.217CC..THydrogen-bonded Turntrans53.730.4177.3-50.6-58.8000112.9Q211 G248 L340D209-Q211 PolarHBondContact O-N 3.16Å; D209-G248 VanDerWaalsContact CG-N 3.34Å; D209-G248 PolarHBondContact OD1-N 3.26Å; D209-G248 VanDerWaalsContact OD1-N 3.12Å; D209-G248 WeakPolarHBondContact OD2-CA 3.31Å; D209-G248 PolarHBondContact OD2-N 3.21Å; D209-L340 HydrophobicContact CB-CD2 3.61Å
210S83.4Confident79.7Confident103 Ų10339.7 Ų39.772%0.7222%0.216SC*.THydrogen-bonded Turntrans57.422.9-172.6-52.60000114.6K208K208-S210 PolarHBondContact O-N 3.28Å; K208-S210 VanDerWaalsContact O-N 3.07Å
211Q84.7Confident79.2Confident87 Ų8744.3 Ų44.341%0.40724%0.242SC..EExtended strand (participates in β ladder)trans-126.6165.3178.4-62.9-60.1-38.900110.3K208 D209 Y213K208-Q211 PolarHBondContact N-O 3.25Å; K208-Q211 VanDerWaalsContact N-O 3.12Å; K208-Q211 CarbonylContact O-C 3.58Å; K208-Q211 WeakPolarHBondContact O-CA 3.41Å; K208-Q211 PolarHBondContact O-N 3.44Å; D209-Q211 PolarHBondContact O-N 3.16Å; Q211-Y213 HydrophobicContact CB-CE1 4.22Å; Q211-Y213 HydrophobicContact CB-CE2 3.89Å; Q211-Y213 WeakPolarHBondContact CB-OH 3.39Å
212V86.7Confident78.4Confident13 Ų1348.2 Ų48.28%0.07926%0.258CS..EExtended strand (participates in β ladder)trans-123.1128.7176.8-168.60000108.3Y190 T193 L194 L205 V206 F207Y190-V212 HydrophobicContact CD1-CG2 4.37Å; T193-V212 HydrophobicContact CG2-CB 4.3Å; T193-V212 HydrophobicContact CG2-CG2 3.98Å; L194-V212 HydrophobicContact CD1-CG1 4.19Å; L194-V212 HydrophobicContact CD1-CG2 4.46Å; L194-V212 HydrophobicContact CG-CG1 4.12Å; L205-V212 HydrophobicContact CB-CG1 4.13Å; L205-V212 HydrophobicContact CD1-CG1 4.02Å; L205-V212 HydrophobicContact CD2-CG1 4.32Å; L205-V212 HydrophobicContact CG-CG1 4.4Å; V206-V212 WeakPolarHBondContact O-CA 3.47Å; F207-V212 HydrophobicContact CD1-CB 4.39Å; F207-V212 HydrophobicContact CD1-CG1 4.18Å; F207-V212 HydrophobicContact CD1-CG2 3.54Å; F207-V212 HydrophobicContact CE1-CB 4.17Å; F207-V212 HydrophobicContact CE1-CG1 3.75Å; F207-V212 HydrophobicContact CE1-CG2 3.31Å; F207-V212 HydrophobicContact CE2-CG1 4.31Å; F207-V212 HydrophobicContact CZ-CG1 3.84Å; F207-V212 HydrophobicContact CZ-CG2 4.23Å
213Y85.9Confident77Confident41 Ų4152.6 Ų52.616%0.16128%0.281CS..EExtended strand (participates in β ladder)trans-120.7136.3176.4-51.7-72000109.6L205 V206 K208 Q211 R342L205-Y213 CarbonylContact C-O 3.56Å; L205-Y213 WeakPolarHBondContact CA-O 3.35Å; V206-Y213 HydrophobicContact CG1-CD2 4.13Å; V206-Y213 HydrophobicContact CG1-CG 4.45Å; V206-Y213 PolarHBondContact N-O 3.18Å; V206-Y213 PolarHBondContact O-N 2.96Å; K208-Y213 HydrophobicContact CG-CD2 4.2Å; K208-Y213 HydrophobicContact CG-CE2 4.02Å; Q211-Y213 HydrophobicContact CB-CE1 4.22Å; Q211-Y213 HydrophobicContact CB-CE2 3.89Å; Q211-Y213 WeakPolarHBondContact CB-OH 3.39Å; Y213-R342 VanDerWaalsContact CZ-CD 3.42Å
214S87.5Confident75.4Confident18 Ų1856.9 Ų56.913%0.12631%0.306CS..EExtended strand (participates in β ladder)trans-89.5147.7174.5790000110.5D199 F201 P216D199-S214 PolarHBondContact O-OG 3.34Å; F201-S214 WeakPolarHBondContact CD2-OG 3.47Å; F201-S214 PolarHBondContact N-OG 3.48Å; F201-S214 VanDerWaalsContact N-OG 3.13Å; S214-P216 WeakPolarHBondContact O-CD 3.17Å
215Y87.4Confident73.8Confident0 Ų062.7 Ų62.70%033%0.332CS..  trans-65.5122.3168.5168.9-119.8000108.4L161 T202 I204 G217 L233 D236 L237 W240L161-Y215 HydrophobicContact CD2-CE1 4.26Å; T202-Y215 WeakPolarHBondContact CB-O 3.37Å; T202-Y215 HydrophobicContact CG2-CD1 4.06Å; T202-Y215 VanDerWaalsContact CG2-O 3.23Å; T202-Y215 WeakPolarHBondContact CG2-O 3.45Å; T202-Y215 WeakPolarHBondContact OG1-CB 3.35Å; T202-Y215 PolarHBondContact OG1-O 3.29Å; I204-Y215 HydrophobicContact CD1-CD1 4.26Å; I204-Y215 PolarHBondContact O-N 3.11Å; Y215-G217 VanDerWaalsContact C-N 3.26Å; Y215-G217 PolarHBondContact O-N 2.93Å; Y215-L233 HydrophobicContact CE1-CD1 4.16Å; Y215-D236 WeakPolarHBondContact CE2-OD2 3.37Å; Y215-D236 VanDerWaalsContact CZ-OD2 3.28Å; Y215-D236 PolarHBondContact OH-OD2 2.77Å; Y215-L237 HydrophobicContact CD1-CD1 3.96Å; Y215-L237 HydrophobicContact CD2-CD1 3.82Å; Y215-L237 HydrophobicContact CE1-CD1 4.09Å; Y215-L237 HydrophobicContact CE2-CB 4.48Å; Y215-L237 HydrophobicContact CE2-CD1 3.99Å; Y215-L237 HydrophobicContact CG-CD1 3.83Å; Y215-W240 VanDerWaalsContact CA-CZ2 3.5Å; Y215-W240 HydrophobicContact CD2-CB 4.04Å; Y215-W240 AromaticContact CD2-CD2 3.57Å; Y215-W240 HydrophobicContact CD2-CD2 3.57Å; Y215-W240 AromaticContact CD2-CE3 3.83Å; Y215-W240 HydrophobicContact CD2-CE3 3.83Å; Y215-W240 AromaticContact CD2-CG 3.66Å; Y215-W240 HydrophobicContact CD2-CG 3.66Å; Y215-W240 HydrophobicContact CD2-CZ3 4.49Å; Y215-W240 HydrophobicContact CE2-CB 4.06Å; Y215-W240 HydrophobicContact CE2-CD2 4.46Å; Y215-W240 HydrophobicContact CE2-CG 4.15Å; Y215-W240 HydrophobicContact CG-CD2 4.33Å; Y215-W240 HydrophobicContact CG-CE3 4.29Å
216P81.1Confident72.4Confident56 Ų5664 Ų6436%0.36434%0.339SS..  trans-71.8-20.1-172.527.8-35.7000113.3F201 S214 F219F201-P216 HydrophobicContact CD2-CB 4.37Å; S214-P216 WeakPolarHBondContact O-CD 3.17Å; P216-F219 WeakPolarHBondContact O-CE2 3.33Å; P216-F219 WeakPolarHBondContact O-CZ 3.47Å
217G75.3Confident71.3Confident13 Ų1365 Ų6513%0.13435%0.345CS..  trans77.3157.7-177.400000114.5Y215Y215-G217 VanDerWaalsContact C-N 3.26Å; Y215-G217 PolarHBondContact O-N 2.93Å
218L69.6Low70.3Confident57 Ų5771.2 Ų71.230%0.29838%0.379SS..  trans-94.9102.1163.1-75.1174.9000109.1L226 T227 E232 D236L218-L226 CarbonylContact O-C 3.59Å; L218-L226 WeakPolarHBondContact O-CA 3.33Å; L218-T227 HydrophobicContact CB-CG2 3.89Å; L218-T227 HydrophobicContact CD1-CG2 4.18Å; L218-T227 PolarHBondContact O-N 3.07Å; L218-E232 HydrophobicContact CD1-CB 4.28Å; L218-D236 HydrophobicContact CD1-CB 3.41Å; L218-D236 VanDerWaalsContact CD1-CB 3.41Å; L218-D236 HydrophobicContact CD2-CB 4.38Å; L218-D236 HydrophobicContact CG-CB 3.76Å
219F56.8Low69.9Low74 Ų7473.5 Ų73.533%0.32539%0.392SS..BIsolated β-bridgetrans-83.4131.1174.5-58-69.2000110.8F201 P216 L224 Q225F201-F219 HydrophobicContact CB-CZ 4.29Å; P216-F219 WeakPolarHBondContact O-CE2 3.33Å; P216-F219 WeakPolarHBondContact O-CZ 3.47Å; F219-L224 HydrophobicContact CD1-CB 4.46Å; F219-L224 HydrophobicContact CD1-CD2 4.29Å; F219-L224 HydrophobicContact CD1-CG 3.79Å; F219-L224 HydrophobicContact CD2-CG 4.46Å; F219-L224 HydrophobicContact CE1-CD2 3.91Å; F219-L224 HydrophobicContact CE1-CG 3.93Å; F219-L224 HydrophobicContact CG-CG 4.06Å; F219-L224 HydrophobicContact CZ-CD2 4.15Å; F219-L224 HydrophobicContact CZ-CG 4.34Å; F219-Q225 WeakPolarHBondContact CA-O 3.46Å
220S45.2Very low69.8Low64 Ų6475.1 Ų75.145%0.44840%0.404SS..  trans-61.4135.2170.5179.90000109.9K222 N223 Q225S220-K222 PolarHBondContact O-N 3.39Å; S220-N223 CarbonylContact O-C 3.44Å; S220-N223 PolarHBondContact O-N 3.33Å; S220-Q225 PolarHBondContact N-O 3.49Å
221N50.1Low69.8Low172 Ų17273.9 Ų73.992%0.9240%0.395SS*.THydrogen-bonded Turntrans-58.1-8.9-173.3-81.8-21.9000116
222K47.6Very low69.7Low187 Ų18774.6 Ų74.681%0.81340%0.398SS*.THydrogen-bonded Turntrans-104.2-24.5-174.4-69.2-171.8177.5-178.90114.9S220S220-K222 PolarHBondContact O-N 3.39Å
223N47.1Very low69.6Low103 Ų10374 Ų7455%0.55139%0.394SS*.SBendtrans-151.1149.8176-72-43.1000106.2S220 Q225S220-N223 CarbonylContact O-C 3.44Å; S220-N223 PolarHBondContact O-N 3.33Å; N223-Q225 HydrophobicContact CB-CB 4.35Å; N223-Q225 HydrophobicContact CB-CG 3.86Å; N223-Q225 PolarHBondContact O-N 2.8Å
224L50.6Low69.7Low146 Ų14674.1 Ų74.176%0.76440%0.395SS*.SBendtrans-66.757.9173-145.8109.5000110.9F219F219-L224 HydrophobicContact CD1-CB 4.46Å; F219-L224 HydrophobicContact CD1-CD2 4.29Å; F219-L224 HydrophobicContact CD1-CG 3.79Å; F219-L224 HydrophobicContact CD2-CG 4.46Å; F219-L224 HydrophobicContact CE1-CD2 3.91Å; F219-L224 HydrophobicContact CE1-CG 3.93Å; F219-L224 HydrophobicContact CG-CG 4.06Å; F219-L224 HydrophobicContact CZ-CD2 4.15Å; F219-L224 HydrophobicContact CZ-CG 4.34Å
225Q59.8Low69.5Low121 Ų12175.3 Ų75.357%0.56540%0.399SS*.  trans-118.2128.4-178.1-71.8-175.6-1.500106.5F219 S220 N223F219-Q225 WeakPolarHBondContact CA-O 3.46Å; S220-Q225 PolarHBondContact N-O 3.49Å; N223-Q225 HydrophobicContact CB-CB 4.35Å; N223-Q225 HydrophobicContact CB-CG 3.86Å; N223-Q225 PolarHBondContact O-N 2.8Å
226L63Low69.4Low29 Ų2977.3 Ų77.315%0.15241%0.409CS..BIsolated β-bridgetrans-51.7140173.6-167.576.3000110.3L161 L218 N228 L233L161-L226 HydrophobicContact CD1-CD2 3.97Å; L161-L226 HydrophobicContact CD2-CD1 4.14Å; L161-L226 HydrophobicContact CD2-CD2 3.39Å; L161-L226 HydrophobicContact CD2-CG 4.4Å; L161-L226 HydrophobicContact CG-CD2 3.4Å; L218-L226 CarbonylContact O-C 3.59Å; L218-L226 WeakPolarHBondContact O-CA 3.33Å; L226-N228 PolarHBondContact O-N 3.06Å; L226-L233 HydrophobicContact CD1-CD1 3.71Å; L226-L233 HydrophobicContact CD2-CD1 4.06Å; L226-L233 HydrophobicContact CD2-CD2 3.76Å; L226-L233 HydrophobicContact CG-CD1 4.02Å; L226-L233 HydrophobicContact CG-CD2 4.4Å
227T68.8Low69.7Low20 Ų2074.7 Ų74.712%0.12339%0.392CS..  trans-53.3132.8173.9-175.90000111L218 N229 E232 L233L218-T227 HydrophobicContact CB-CG2 3.89Å; L218-T227 HydrophobicContact CD1-CG2 4.18Å; L218-T227 PolarHBondContact O-N 3.07Å; T227-N229 PolarHBondContact O-N 3.5Å; T227-N229 WeakPolarHBondContact OG1-CB 2.92Å; T227-N229 PolarHBondContact OG1-N 3.27Å; T227-N229 VanDerWaalsContact OG1-N 3.14Å; T227-E232 HydrophobicContact CG2-CB 4.47Å; T227-L233 HydrophobicContact CG2-CB 4.05Å
228N69.4Low70.3Confident134 Ų13474.5 Ų74.572%0.71739%0.388SS*.SBendtrans-77-7.3170.9-71.4-24.1000111.7L226 T230L226-N228 PolarHBondContact O-N 3.06Å; N228-T230 PolarHBondContact O-N 2.89Å; N228-T230 VanDerWaalsContact O-N 3.11Å
229N81.5Confident70.9Confident64 Ų6473.8 Ų73.834%0.34238%0.384SS..  trans-76.498175.5-171.5-13.2000109.6T227 S231 E232 L233T227-N229 PolarHBondContact O-N 3.5Å; T227-N229 WeakPolarHBondContact OG1-CB 2.92Å; T227-N229 PolarHBondContact OG1-N 3.27Å; T227-N229 VanDerWaalsContact OG1-N 3.14Å; N229-S231 PolarHBondContact O-N 2.95Å; N229-S231 PolarHBondContact OD1-N 3.42Å; N229-S231 VanDerWaalsContact OD1-N 3.15Å; N229-E232 HydrophobicContact CB-CB 4.09Å; N229-E232 HydrophobicContact CB-CG 4.24Å; N229-E232 VanDerWaalsContact ND2-CG 3.35Å; N229-E232 WeakPolarHBondContact ND2-CG 3.45Å; N229-E232 PolarHBondContact ND2-OE1 3.2Å; N229-E232 PolarHBondContact O-N 3.44Å; N229-E232 PolarHBondContact OD1-N 3.02Å; N229-L233 WeakPolarHBondContact O-CB 3.24Å; N229-L233 PolarHBondContact O-N 3.05Å
230T83.6Confident72.3Confident76 Ų7671.2 Ų71.247%0.46637%0.372SS..Hα-helixtrans-58.4-32.5179.950.60000113I160 N228 Y234I160-T230 HydrophobicContact CG2-CG2 4.1Å; N228-T230 PolarHBondContact O-N 2.89Å; N228-T230 VanDerWaalsContact O-N 3.11Å; T230-Y234 VanDerWaalsContact O-CB 3.26Å; T230-Y234 WeakPolarHBondContact O-CB 3.33Å; T230-Y234 PolarHBondContact O-N 2.93Å
231S84.2Confident74.5Confident77 Ų7768.2 Ų68.254%0.53835%0.351SS..Hα-helixtrans-69.9-49.3179.2-61.50000110.6N229 L233 Y234 Q235N229-S231 PolarHBondContact O-N 2.95Å; N229-S231 PolarHBondContact OD1-N 3.42Å; N229-S231 VanDerWaalsContact OD1-N 3.15Å; S231-L233 VanDerWaalsContact C-N 3.34Å; S231-L233 PolarHBondContact O-N 3.37Å; S231-Y234 PolarHBondContact O-N 3.44Å; S231-Q235 VanDerWaalsContact O-CG 3.28Å; S231-Q235 WeakPolarHBondContact O-CG 3.37Å; S231-Q235 PolarHBondContact O-N 3.42Å
232E82.5Confident76.2Confident102 Ų10260.4 Ų60.448%0.47731%0.31SS..Hα-helixtrans-59.8-44.2176-77.3169.3-162.900111.9L218 T227 N229 Y234 Q235 D236L218-E232 HydrophobicContact CD1-CB 4.28Å; T227-E232 HydrophobicContact CG2-CB 4.47Å; N229-E232 HydrophobicContact CB-CB 4.09Å; N229-E232 HydrophobicContact CB-CG 4.24Å; N229-E232 VanDerWaalsContact ND2-CG 3.35Å; N229-E232 WeakPolarHBondContact ND2-CG 3.45Å; N229-E232 PolarHBondContact ND2-OE1 3.2Å; N229-E232 PolarHBondContact O-N 3.44Å; N229-E232 PolarHBondContact OD1-N 3.02Å; E232-Y234 PolarHBondContact O-N 2.88Å; E232-Q235 PolarHBondContact O-N 3.25Å; E232-D236 WeakPolarHBondContact O-CB 3.24Å; E232-D236 PolarHBondContact O-N 3.26Å
233L85.3Confident77.9Confident0 Ų055.4 Ų55.40%029%0.285CS..Hα-helixtrans-61.5-43.8177.2-177.565.3000112I160 L161 T164 Y215 L226 T227 N229 S231 D236 L237I160-L233 HydrophobicContact CG2-CD2 3.64Å; L161-L233 HydrophobicContact CD2-CD1 4.15Å; L161-L233 HydrophobicContact CD2-CD2 4.18Å; T164-L233 HydrophobicContact CG2-CD2 4.32Å; T164-L233 HydrophobicContact CG2-CG 4.06Å; Y215-L233 HydrophobicContact CE1-CD1 4.16Å; L226-L233 HydrophobicContact CD1-CD1 3.71Å; L226-L233 HydrophobicContact CD2-CD1 4.06Å; L226-L233 HydrophobicContact CD2-CD2 3.76Å; L226-L233 HydrophobicContact CG-CD1 4.02Å; L226-L233 HydrophobicContact CG-CD2 4.4Å; T227-L233 HydrophobicContact CG2-CB 4.05Å; N229-L233 WeakPolarHBondContact O-CB 3.24Å; N229-L233 PolarHBondContact O-N 3.05Å; S231-L233 VanDerWaalsContact C-N 3.34Å; S231-L233 PolarHBondContact O-N 3.37Å; L233-D236 PolarHBondContact O-N 3.43Å; L233-L237 VanDerWaalsContact O-CB 3.25Å; L233-L237 WeakPolarHBondContact O-CB 3.12Å; L233-L237 PolarHBondContact O-N 2.82Å
234Y87.4Confident79.8Confident44 Ų4451.2 Ų51.217%0.17326%0.262CS..Hα-helixtrans-60-46.2175.7174.4-95.4000111.6T164 Q167 V168 T230 S231 E232 L238T164-Y234 HydrophobicContact CG2-CD2 4.22Å; Q167-Y234 HydrophobicContact CB-CD2 3.92Å; Q167-Y234 HydrophobicContact CB-CE2 3.76Å; V168-Y234 HydrophobicContact CG2-CD2 3.78Å; V168-Y234 HydrophobicContact CG2-CE2 3.75Å; T230-Y234 VanDerWaalsContact O-CB 3.26Å; T230-Y234 WeakPolarHBondContact O-CB 3.33Å; T230-Y234 PolarHBondContact O-N 2.93Å; S231-Y234 PolarHBondContact O-N 3.44Å; E232-Y234 PolarHBondContact O-N 2.88Å; Y234-L238 HydrophobicContact CE1-CD2 4.02Å; Y234-L238 WeakPolarHBondContact O-CB 3.47Å; Y234-L238 PolarHBondContact O-N 3.48Å
235Q83.5Confident81.6Confident43 Ų4345.4 Ų45.420%0.20123%0.23CC..Hα-helixtrans-62.4-46.2179-64.5-50.9-27.500112.1S231 E232 L238 L239S231-Q235 VanDerWaalsContact O-CG 3.28Å; S231-Q235 WeakPolarHBondContact O-CG 3.37Å; S231-Q235 PolarHBondContact O-N 3.42Å; E232-Q235 PolarHBondContact O-N 3.25Å; Q235-L238 PolarHBondContact O-N 3.42Å; Q235-L239 WeakPolarHBondContact O-CB 3.2Å; Q235-L239 VanDerWaalsContact O-CG 3.3Å; Q235-L239 WeakPolarHBondContact O-CG 3.35Å; Q235-L239 PolarHBondContact O-N 3.3Å
236D84.8Confident82.8Confident42 Ų4241.3 Ų41.323%0.22521%0.211CC..Hα-helixtrans-67.8-43.9-178.8-175.875000112Y215 L218 E232 L233 L239 W240Y215-D236 WeakPolarHBondContact CE2-OD2 3.37Å; Y215-D236 VanDerWaalsContact CZ-OD2 3.28Å; Y215-D236 PolarHBondContact OH-OD2 2.77Å; L218-D236 HydrophobicContact CD1-CB 3.41Å; L218-D236 VanDerWaalsContact CD1-CB 3.41Å; L218-D236 HydrophobicContact CD2-CB 4.38Å; L218-D236 HydrophobicContact CG-CB 3.76Å; E232-D236 WeakPolarHBondContact O-CB 3.24Å; E232-D236 PolarHBondContact O-N 3.26Å; L233-D236 PolarHBondContact O-N 3.43Å; D236-L239 PolarHBondContact O-N 3.45Å; D236-W240 VanDerWaalsContact O-CB 3.31Å; D236-W240 WeakPolarHBondContact O-CB 3.3Å; D236-W240 PolarHBondContact O-N 2.76Å
237L88.1Confident84Confident0 Ų041.6 Ų41.60%022%0.215CC..Hα-helixtrans-63.6-43.2176-176.362.1000111.3T164 F165 V168 I204 Y215 L233 L239 W240 T241T164-L237 HydrophobicContact CG2-CD2 4.04Å; F165-L237 HydrophobicContact CB-CD2 4.23Å; V168-L237 HydrophobicContact CB-CD2 4.46Å; V168-L237 HydrophobicContact CG2-CB 4.26Å; V168-L237 HydrophobicContact CG2-CD2 4.04Å; V168-L237 HydrophobicContact CG2-CG 4.05Å; I204-L237 HydrophobicContact CD1-CD1 3.99Å; I204-L237 HydrophobicContact CD1-CD2 3.84Å; I204-L237 HydrophobicContact CG2-CD1 4.3Å; Y215-L237 HydrophobicContact CD1-CD1 3.96Å; Y215-L237 HydrophobicContact CD2-CD1 3.82Å; Y215-L237 HydrophobicContact CE1-CD1 4.09Å; Y215-L237 HydrophobicContact CE2-CB 4.48Å; Y215-L237 HydrophobicContact CE2-CD1 3.99Å; Y215-L237 HydrophobicContact CG-CD1 3.83Å; L233-L237 VanDerWaalsContact O-CB 3.25Å; L233-L237 WeakPolarHBondContact O-CB 3.12Å; L233-L237 PolarHBondContact O-N 2.82Å; L237-L239 PolarHBondContact O-N 2.86Å; L237-W240 HydrophobicContact CD1-CE3 3.96Å; L237-W240 HydrophobicContact CD1-CZ3 4.43Å; L237-W240 PolarHBondContact O-N 3.18Å; L237-T241 WeakPolarHBondContact O-CB 3.16Å; L237-T241 PolarHBondContact O-N 3.01Å; L237-T241 PolarHBondContact O-OG1 3.02Å
238L88.3Confident84.9Confident9 Ų941.3 Ų41.35%0.04722%0.216CC..Hα-helixtrans-59.1-48.2176.7-179.566.5000111.4V168 Q171 L172 Y234 Q235 T241 L242 I268V168-L238 HydrophobicContact CG1-CD1 4.08Å; V168-L238 HydrophobicContact CG2-CB 4.1Å; Q171-L238 HydrophobicContact CG-CD1 4.34Å; L172-L238 HydrophobicContact CD1-CD1 3.69Å; L172-L238 HydrophobicContact CD2-CD1 4.01Å; L172-L238 HydrophobicContact CG-CD1 3.77Å; Y234-L238 HydrophobicContact CE1-CD2 4.02Å; Y234-L238 WeakPolarHBondContact O-CB 3.47Å; Y234-L238 PolarHBondContact O-N 3.48Å; Q235-L238 PolarHBondContact O-N 3.42Å; L238-T241 PolarHBondContact O-N 3.19Å; L238-L242 HydrophobicContact CD1-CD1 4.49Å; L238-L242 HydrophobicContact CG-CD1 4.19Å; L238-L242 WeakPolarHBondContact O-CB 3.32Å; L238-L242 VanDerWaalsContact O-CG 3.31Å; L238-L242 WeakPolarHBondContact O-CG 3.5Å; L238-L242 PolarHBondContact O-N 2.95Å; L238-I268 HydrophobicContact CD2-CD1 4.25Å; L238-I268 HydrophobicContact CD2-CG1 3.96Å
239L82.3Confident86Confident42 Ų4235.6 Ų35.622%0.2219%0.185CC..Hα-helixtrans-63.8-41.7177.5-74172.9000111.8Q235 D236 L237 L242 R243 I268Q235-L239 WeakPolarHBondContact O-CB 3.2Å; Q235-L239 VanDerWaalsContact O-CG 3.3Å; Q235-L239 WeakPolarHBondContact O-CG 3.35Å; Q235-L239 PolarHBondContact O-N 3.3Å; D236-L239 PolarHBondContact O-N 3.45Å; L237-L239 PolarHBondContact O-N 2.86Å; L239-L242 PolarHBondContact O-N 2.87Å; L239-R243 VanDerWaalsContact O-CG 3.26Å; L239-R243 WeakPolarHBondContact O-CG 3.25Å; L239-R243 PolarHBondContact O-N 3.25Å; L239-I268 HydrophobicContact CD1-CD1 4.36Å; L239-I268 HydrophobicContact CD2-CD1 4.02Å; L239-I268 HydrophobicContact CG-CD1 4Å
240W86.2Confident86.4Confident21 Ų2133.1 Ų33.18%0.0817%0.172CC..Hα-helixtrans-61.8-47.4174.9-179.484.8000111.1F151 I204 V206 Y215 D236 L237 L242 R243 E244F151-W240 HydrophobicContact CD1-CH2 4.28Å; F151-W240 AromaticContact CD1-CZ3 3.76Å; F151-W240 HydrophobicContact CD1-CZ3 3.76Å; F151-W240 HydrophobicContact CE1-CE3 4.16Å; F151-W240 HydrophobicContact CE1-CH2 4.14Å; F151-W240 AromaticContact CE1-CZ3 3.62Å; F151-W240 HydrophobicContact CE1-CZ3 3.62Å; I204-W240 HydrophobicContact CG2-CH2 4.39Å; I204-W240 HydrophobicContact CG2-CZ3 3.92Å; V206-W240 HydrophobicContact CB-CH2 3.95Å; V206-W240 HydrophobicContact CG1-CH2 3.78Å; V206-W240 HydrophobicContact CG1-CZ2 3.85Å; Y215-W240 VanDerWaalsContact CA-CZ2 3.5Å; Y215-W240 HydrophobicContact CD2-CB 4.04Å; Y215-W240 AromaticContact CD2-CD2 3.57Å; Y215-W240 HydrophobicContact CD2-CD2 3.57Å; Y215-W240 AromaticContact CD2-CE3 3.83Å; Y215-W240 HydrophobicContact CD2-CE3 3.83Å; Y215-W240 AromaticContact CD2-CG 3.66Å; Y215-W240 HydrophobicContact CD2-CG 3.66Å; Y215-W240 HydrophobicContact CD2-CZ3 4.49Å; Y215-W240 HydrophobicContact CE2-CB 4.06Å; Y215-W240 HydrophobicContact CE2-CD2 4.46Å; Y215-W240 HydrophobicContact CE2-CG 4.15Å; Y215-W240 HydrophobicContact CG-CD2 4.33Å; Y215-W240 HydrophobicContact CG-CE3 4.29Å; D236-W240 VanDerWaalsContact O-CB 3.31Å; D236-W240 WeakPolarHBondContact O-CB 3.3Å; D236-W240 PolarHBondContact O-N 2.76Å; L237-W240 HydrophobicContact CD1-CE3 3.96Å; L237-W240 HydrophobicContact CD1-CZ3 4.43Å; L237-W240 PolarHBondContact O-N 3.18Å; W240-L242 PolarHBondContact O-N 2.93Å; W240-R243 PolarHBondContact O-N 2.95Å; W240-R243 VanDerWaalsContact O-N 3.17Å; W240-E244 HydrophobicContact CD2-CG 3.89Å; W240-E244 VanDerWaalsContact CE2-CG 3.5Å; W240-E244 HydrophobicContact CG-CG 4.24Å; W240-E244 HydrophobicContact CH2-CG 4.48Å; W240-E244 HydrophobicContact CZ2-CG 3.83Å; W240-E244 WeakPolarHBondContact O-CB 3.38Å; W240-E244 WeakPolarHBondContact O-CG 3.34Å; W240-E244 PolarHBondContact O-N 3.12Å
241T90.3Very high86.7Confident0 Ų033.6 Ų33.60%017%0.168CC..Hα-helixtrans-61.4-42.6176.7-59.50000112.1F151 V168 L172 F178 L237 L238 R243 E244 R245F151-T241 HydrophobicContact CD1-CG2 4.26Å; F151-T241 HydrophobicContact CD2-CG2 4.05Å; F151-T241 HydrophobicContact CE1-CG2 3.85Å; F151-T241 HydrophobicContact CE2-CG2 3.64Å; F151-T241 HydrophobicContact CG-CG2 4.35Å; F151-T241 HydrophobicContact CZ-CG2 3.53Å; F151-T241 WeakPolarHBondContact CZ-O 3.44Å; V168-T241 HydrophobicContact CG1-CG2 4.12Å; L172-T241 HydrophobicContact CD1-CG2 3.49Å; L172-T241 VanDerWaalsContact CD1-CG2 3.49Å; F178-T241 HydrophobicContact CE1-CG2 3.68Å; F178-T241 HydrophobicContact CZ-CG2 3.72Å; L237-T241 WeakPolarHBondContact O-CB 3.16Å; L237-T241 PolarHBondContact O-N 3.01Å; L237-T241 PolarHBondContact O-OG1 3.02Å; L238-T241 PolarHBondContact O-N 3.19Å; T241-R243 VanDerWaalsContact C-N 3.28Å; T241-R243 PolarHBondContact O-N 3.39Å; T241-E244 PolarHBondContact O-N 3.05Å; T241-R245 WeakPolarHBondContact O-CB 3.43Å; T241-R245 PolarHBondContact O-N 2.83Å
242L85.6Confident86.9Confident9 Ų930.1 Ų30.15%0.04714%0.143CC..Hα-helixtrans-61.8-35.3175.8-76.1170.6000112.7L172 L238 L239 W240 R245 L266 I568L172-L242 HydrophobicContact CD1-CD2 3.99Å; L172-L242 HydrophobicContact CD1-CG 4.05Å; L172-L242 HydrophobicContact CD2-CD2 3.76Å; L172-L242 HydrophobicContact CD2-CG 4.42Å; L238-L242 HydrophobicContact CD1-CD1 4.49Å; L238-L242 HydrophobicContact CG-CD1 4.19Å; L238-L242 WeakPolarHBondContact O-CB 3.32Å; L238-L242 VanDerWaalsContact O-CG 3.31Å; L238-L242 WeakPolarHBondContact O-CG 3.5Å; L238-L242 PolarHBondContact O-N 2.95Å; L239-L242 PolarHBondContact O-N 2.87Å; W240-L242 PolarHBondContact O-N 2.93Å; L242-R245 WeakPolarHBondContact O-CG 3.41Å; L242-L266 HydrophobicContact CD1-CD1 4Å; L242-I568 HydrophobicContact CD2-CD1 4.06Å
243R83Confident87.1Confident81 Ų8127 Ų2731%0.30613%0.133SC..Hα-helixtrans-74-43.1175.2-71.2169.6-176.6159.14.3111.8L239 W240 T241L239-R243 VanDerWaalsContact O-CG 3.26Å; L239-R243 WeakPolarHBondContact O-CG 3.25Å; L239-R243 PolarHBondContact O-N 3.25Å; W240-R243 PolarHBondContact O-N 2.95Å; W240-R243 VanDerWaalsContact O-N 3.17Å; T241-R243 VanDerWaalsContact C-N 3.28Å; T241-R243 PolarHBondContact O-N 3.39Å
244E88.5Confident87.1Confident15 Ų1529.4 Ų29.47%0.0714%0.144CC..Hα-helixtrans-81.4-18.2-172.6-67.3-53.4144.400113.9F151 V206 K208 W240 T241 Q246 R342F151-E244 HydrophobicContact CE1-CB 3.87Å; F151-E244 HydrophobicContact CZ-CB 3.86Å; V206-E244 HydrophobicContact CB-CB 4.39Å; V206-E244 HydrophobicContact CG1-CB 4.03Å; V206-E244 HydrophobicContact CG1-CG 4.17Å; V206-E244 HydrophobicContact CG2-CB 4.18Å; K208-E244 WeakPolarHBondContact CD-O 3.5Å; K208-E244 WeakPolarHBondContact CE-OE2 3.24Å; K208-E244 PolarHBondContact NZ-O 3.48Å; K208-E244 IonicContact NZ-OE2 3.6Å; K208-E244 PolarHBondContact NZ-OE2 3.39Å; W240-E244 HydrophobicContact CD2-CG 3.89Å; W240-E244 VanDerWaalsContact CE2-CG 3.5Å; W240-E244 HydrophobicContact CG-CG 4.24Å; W240-E244 HydrophobicContact CH2-CG 4.48Å; W240-E244 HydrophobicContact CZ2-CG 3.83Å; W240-E244 WeakPolarHBondContact O-CB 3.38Å; W240-E244 WeakPolarHBondContact O-CG 3.34Å; W240-E244 PolarHBondContact O-N 3.12Å; T241-E244 PolarHBondContact O-N 3.05Å; E244-Q246 PolarHBondContact O-N 3.04Å; E244-Q246 VanDerWaalsContact O-N 3.1Å; E244-R342 IonicContact OE1-CZ 2.65Å; E244-R342 IonicContact OE1-NH1 3.84Å; E244-R342 IonicContact OE1-NH2 2.88Å; E244-R342 PolarHBondContact OE1-NH2 3.07Å; E244-R342 IonicContact OE2-CZ 2.71Å; E244-R342 IonicContact OE2-NH1 3.58Å; E244-R342 PolarHBondContact OE2-NH1 3.18Å; E244-R342 IonicContact OE2-NH2 3.22Å; E244-R342 PolarHBondContact OE2-NH2 2.82Å
245R88.6Confident86.6Confident24 Ų2435.3 Ų35.39%0.09117%0.171CC..THydrogen-bonded Turntrans-63-17.7179.777.3-176.1-17592.4-3.1114.2P149 F151 S176 T241 L242 E259 N263P149-R245 WeakPolarHBondContact CG-O 3.29Å; F151-R245 HydrophobicContact CE2-CB 3.98Å; F151-R245 HydrophobicContact CZ-CB 4.23Å; S176-R245 VanDerWaalsContact OG-CB 3.26Å; S176-R245 WeakPolarHBondContact OG-CB 3.45Å; T241-R245 WeakPolarHBondContact O-CB 3.43Å; T241-R245 PolarHBondContact O-N 2.83Å; L242-R245 WeakPolarHBondContact O-CG 3.41Å; R245-E259 IonicContact CZ-OE1 3.62Å; R245-E259 IonicContact NH1-OE1 2.62Å; R245-E259 IonicContact NH2-OE1 3.49Å; R245-E259 PolarHBondContact NH2-OE1 3.33Å; R245-N263 PolarHBondContact NH2-ND2 2.9Å
246Q84.8Confident86.5Confident35 Ų3535 Ų3516%0.16417%0.171CC..SBendtrans-94.7145.4-179.5-65.6-68-12.600110K208 E244 F260K208-Q246 WeakPolarHBondContact CD-O 3.46Å; K208-Q246 PolarHBondContact NZ-O 3.35Å; E244-Q246 PolarHBondContact O-N 3.04Å; E244-Q246 VanDerWaalsContact O-N 3.1Å; Q246-F260 HydrophobicContact CB-CE1 4.01Å; Q246-F260 HydrophobicContact CB-CZ 3.8Å; Q246-F260 HydrophobicContact CG-CE1 3.72Å; Q246-F260 HydrophobicContact CG-CE2 4.31Å; Q246-F260 HydrophobicContact CG-CZ 3.46Å; Q246-F260 VanDerWaalsContact CG-CZ 3.46Å
247P88Confident86.4Confident35 Ų3533.1 Ų33.123%0.22716%0.16CC..  trans-52.1151.9170.5-24.433.6000111.3P149 F249 P250P149-P247 HydrophobicContact CG-CG 4.49Å; P247-F249 PolarHBondContact O-N 3.31Å; P247-P250 HydrophobicContact CB-CB 4.29Å; P247-P250 HydrophobicContact CG-CB 4.4Å; P247-P250 WeakPolarHBondContact O-CD 3.41Å
248G87.1Confident85.5Confident14 Ų1437.3 Ų37.314%0.14418%0.176CC..SBendtrans-62.5-30.3-179.300000113D209 Q351D209-G248 VanDerWaalsContact CG-N 3.34Å; D209-G248 PolarHBondContact OD1-N 3.26Å; D209-G248 VanDerWaalsContact OD1-N 3.12Å; D209-G248 WeakPolarHBondContact OD2-CA 3.31Å; D209-G248 PolarHBondContact OD2-N 3.21Å; G248-Q351 PolarHBondContact O-NE2 3.27Å
249F91.8Very high84.6Confident14 Ų1439.9 Ų39.96%0.06119%0.188CC..SBendtrans-139.671.6-179.5-165.8-115.4000112.2P247 F317 L332 R336 A339 L352 W354P247-F249 PolarHBondContact O-N 3.31Å; F249-F317 AromaticContact CE2-CD2 3.52Å; F249-F317 HydrophobicContact CE2-CD2 3.52Å; F249-F317 AromaticContact CE2-CE2 3.89Å; F249-F317 HydrophobicContact CE2-CE2 3.89Å; F249-F317 HydrophobicContact CE2-CG 4.43Å; F249-F317 HydrophobicContact CZ-CB 4.21Å; F249-F317 AromaticContact CZ-CD2 3.59Å; F249-F317 HydrophobicContact CZ-CD2 3.59Å; F249-F317 HydrophobicContact CZ-CE2 4.22Å; F249-F317 HydrophobicContact CZ-CG 4.06Å; F249-L332 HydrophobicContact CE1-CD2 4.19Å; F249-R336 HydrophobicContact CB-CB 4.48Å; F249-R336 HydrophobicContact CD1-CB 3.76Å; F249-R336 HydrophobicContact CD1-CG 4.49Å; F249-R336 HydrophobicContact CE1-CB 4.24Å; F249-R336 HydrophobicContact CG-CB 4.23Å; F249-A339 HydrophobicContact CB-CB 3.96Å; F249-A339 HydrophobicContact CD2-CB 3.85Å; F249-A339 HydrophobicContact CG-CB 4.26Å; F249-L352 HydrophobicContact CD2-CB 4.12Å; F249-L352 HydrophobicContact CE2-CB 4.28Å; F249-W354 AromaticContact CD1-CD1 3.76Å; F249-W354 HydrophobicContact CE1-CB 3.98Å; F249-W354 AromaticContact CE1-CD1 3.57Å; F249-W354 HydrophobicContact CE1-CG 4.03Å; F249-W354 HydrophobicContact CZ-CB 3.82Å; F249-W354 HydrophobicContact CZ-CG 4.36Å
250P89.9Confident84.2Confident13 Ų1338.4 Ų38.48%0.08418%0.18CC..  trans-79.7159-174.532.4-30.3000112P247 L252 F260 A353 W354P247-P250 HydrophobicContact CB-CB 4.29Å; P247-P250 HydrophobicContact CG-CB 4.4Å; P247-P250 WeakPolarHBondContact O-CD 3.41Å; P250-L252 HydrophobicContact CB-CD2 4.36Å; P250-L252 HydrophobicContact CG-CD2 4.15Å; P250-L252 HydrophobicContact CG-CG 4.4Å; P250-F260 HydrophobicContact CG-CZ 4.07Å; P250-A353 HydrophobicContact CG-CB 4.18Å; P250-A353 WeakPolarHBondContact O-CA 3.36Å; P250-A353 VanDerWaalsContact O-CB 3.28Å; P250-A353 WeakPolarHBondContact O-CB 3.25Å; P250-W354 PolarHBondContact O-N 3.38Å
251K90Very high83.4Confident85 Ų8537.4 Ų37.437%0.3718%0.176SC..BIsolated β-bridgetrans-79.3129.9164.1-170.6-177.5-168.4164.90108.5E324 W354 N356K251-E324 IonicContact NZ-OE1 3.66Å; K251-E324 PolarHBondContact NZ-OE1 3.49Å; K251-E324 IonicContact NZ-OE2 2.59Å; K251-E324 PolarHBondContact NZ-OE2 2.9Å; K251-W354 CarbonylContact C-O 3.54Å; K251-W354 WeakPolarHBondContact CA-O 3.48Å; K251-W354 HydrophobicContact CB-CD2 4.12Å; K251-W354 VanDerWaalsContact CB-CE2 3.49Å; K251-W354 HydrophobicContact CB-CH2 4.11Å; K251-W354 HydrophobicContact CB-CZ2 3.5Å; K251-W354 HydrophobicContact CD-CH2 3.35Å; K251-W354 HydrophobicContact CD-CZ2 3.63Å; K251-W354 HydrophobicContact CD-CZ3 3.82Å; K251-W354 VanDerWaalsContact CE-CH2 3.47Å; K251-W354 HydrophobicContact CG-CD2 4Å; K251-W354 HydrophobicContact CG-CE3 4Å; K251-W354 HydrophobicContact CG-CH2 3.63Å; K251-W354 HydrophobicContact CG-CZ2 3.58Å; K251-W354 HydrophobicContact CG-CZ3 3.82Å; K251-N356 WeakPolarHBondContact CE-ND2 3.07Å; K251-N356 WeakPolarHBondContact CE-OD1 3.19Å; K251-N356 PolarHBondContact NZ-ND2 3.07Å
252L90Very high82.1Confident5 Ų538.2 Ų38.23%0.02618%0.182CC..  trans-122.4137.8176.9-58.4-179.4000111.3P250 D256 F260 L314 L316 A353 W354 T355P250-L252 HydrophobicContact CB-CD2 4.36Å; P250-L252 HydrophobicContact CG-CD2 4.15Å; P250-L252 HydrophobicContact CG-CG 4.4Å; L252-D256 HydrophobicContact CB-CB 4.27Å; L252-D256 HydrophobicContact CD2-CB 3.81Å; L252-F260 HydrophobicContact CD1-CD2 4.17Å; L252-F260 HydrophobicContact CD1-CE2 4.17Å; L252-F260 HydrophobicContact CD2-CD2 3.76Å; L252-F260 HydrophobicContact CD2-CE2 3.22Å; L252-F260 HydrophobicContact CD2-CZ 3.96Å; L252-F260 HydrophobicContact CG-CE2 4.35Å; L252-L314 HydrophobicContact CD1-CD1 4.27Å; L252-L314 HydrophobicContact CD1-CD2 4.22Å; L252-L316 HydrophobicContact CB-CD2 4.47Å; L252-L316 HydrophobicContact CD1-CD2 4.17Å; L252-A353 HydrophobicContact CD1-CB 3.46Å; L252-A353 VanDerWaalsContact CD1-CB 3.46Å; L252-A353 HydrophobicContact CG-CB 3.76Å; L252-W354 PolarHBondContact N-O 2.99Å; L252-T355 WeakPolarHBondContact O-CB 3.46Å; L252-T355 PolarHBondContact O-OG1 3.35Å
253S86.5Confident81.1Confident36 Ų3638.4 Ų38.425%0.25218%0.183SC..  trans-100.6171.7167.272.50000111F255 D256 W257S253-F255 PolarHBondContact O-N 2.85Å; S253-F255 VanDerWaalsContact O-N 3.12Å; S253-F255 PolarHBondContact OG-N 3.43Å; S253-D256 WeakPolarHBondContact CB-OD2 3.24Å; S253-D256 PolarHBondContact N-OD2 3.13Å; S253-D256 PolarHBondContact O-N 3.36Å; S253-D256 PolarHBondContact OG-OD2 2.77Å; S253-W257 PolarHBondContact O-N 3.3Å; S253-W257 PolarHBondContact O-NE1 3.22Å; S253-W257 VanDerWaalsContact O-NE1 3.11Å
254H83.6Confident80.3Confident51 Ų5135.3 Ų35.324%0.23617%0.172CC..Hα-helixtrans-51.9-33.6174.8-179.163.2000114.1W257 D357 N360 Y382H254-W257 HydrophobicContact CB-CE3 4.28Å; H254-W257 HydrophobicContact CB-CH2 4.19Å; H254-W257 HydrophobicContact CB-CZ3 4.08Å; H254-W257 AromaticContact CG-CZ3 3.96Å; H254-W257 AromaticContact ND1-CE3 3.25Å; H254-W257 VanDerWaalsContact ND1-CE3 3.25Å; H254-W257 AromaticContact ND1-CH2 3.95Å; H254-W257 AromaticContact ND1-CZ3 3.07Å; H254-W257 WeakPolarHBondContact ND1-CZ3 3.42Å; H254-D357 WeakPolarHBondContact CB-OD2 3.29Å; H254-D357 PolarHBondContact N-OD2 3.34Å; H254-N360 HydrophobicContact CB-CB 3.92Å; H254-N360 VanDerWaalsContact CB-ND2 3.35Å; H254-N360 WeakPolarHBondContact CB-ND2 3.36Å; H254-Y382 AromaticContact CE1-CE1 3.99Å
255F77.4Confident78.9Confident167 Ų16735.3 Ų35.373%0.73217%0.172SC*.Hα-helixtrans-72.2-34.4-179.3-59.8-72.9000112.3S253 W257S253-F255 PolarHBondContact O-N 2.85Å; S253-F255 VanDerWaalsContact O-N 3.12Å; S253-F255 PolarHBondContact OG-N 3.43Å; F255-W257 PolarHBondContact O-N 2.97Å
256D82.1Confident77.1Confident38 Ų3835.8 Ų35.820%0.20318%0.176CC..Hα-helixtrans-74.3-27.5-177.2-51.9-47.6000112.2L252 S253 W258 E259 F260L252-D256 HydrophobicContact CB-CB 4.27Å; L252-D256 HydrophobicContact CD2-CB 3.81Å; S253-D256 WeakPolarHBondContact CB-OD2 3.24Å; S253-D256 PolarHBondContact N-OD2 3.13Å; S253-D256 PolarHBondContact O-N 3.36Å; S253-D256 PolarHBondContact OG-OD2 2.77Å; D256-W258 VanDerWaalsContact C-N 3.28Å; D256-W258 PolarHBondContact O-N 3.15Å; D256-E259 WeakPolarHBondContact O-CB 3.34Å; D256-E259 PolarHBondContact O-N 2.98Å; D256-E259 VanDerWaalsContact O-N 3.07Å; D256-F260 WeakPolarHBondContact O-CD2 3.48Å; D256-F260 PolarHBondContact O-N 3.01Å
257W81.3Confident75.3Confident2 Ų238.4 Ų38.41%0.00819%0.192CC..Hα-helixtrans-57.7-40.5-177.2-58.1-17.5000112.6S253 H254 F255 A261 L314 L316 N360 L361 L364 L377 P379S253-W257 PolarHBondContact O-N 3.3Å; S253-W257 PolarHBondContact O-NE1 3.22Å; S253-W257 VanDerWaalsContact O-NE1 3.11Å; H254-W257 HydrophobicContact CB-CE3 4.28Å; H254-W257 HydrophobicContact CB-CH2 4.19Å; H254-W257 HydrophobicContact CB-CZ3 4.08Å; H254-W257 AromaticContact CG-CZ3 3.96Å; H254-W257 AromaticContact ND1-CE3 3.25Å; H254-W257 VanDerWaalsContact ND1-CE3 3.25Å; H254-W257 AromaticContact ND1-CH2 3.95Å; H254-W257 AromaticContact ND1-CZ3 3.07Å; H254-W257 WeakPolarHBondContact ND1-CZ3 3.42Å; F255-W257 PolarHBondContact O-N 2.97Å; W257-A261 PolarHBondContact O-N 3.06Å; W257-L314 HydrophobicContact CB-CD1 3.86Å; W257-L314 HydrophobicContact CG-CD1 4.01Å; W257-L316 HydrophobicContact CZ2-CD1 4.09Å; W257-N360 HydrophobicContact CH2-CB 4.07Å; W257-N360 HydrophobicContact CZ3-CB 4.42Å; W257-L361 HydrophobicContact CH2-CD2 3.52Å; W257-L361 HydrophobicContact CH2-CG 3.81Å; W257-L361 HydrophobicContact CZ2-CD2 3.89Å; W257-L361 HydrophobicContact CZ2-CG 4.14Å; W257-L361 HydrophobicContact CZ3-CD2 4.26Å; W257-L364 HydrophobicContact CE3-CD1 4.33Å; W257-L364 HydrophobicContact CZ3-CD1 3.63Å; W257-L377 HydrophobicContact CB-CD2 4.06Å; W257-L377 HydrophobicContact CD2-CD2 3.32Å; W257-L377 HydrophobicContact CE3-CD2 3.31Å; W257-L377 HydrophobicContact CG-CD2 3.66Å; W257-L377 HydrophobicContact CZ3-CD2 3.96Å; W257-P379 HydrophobicContact CB-CB 4.42Å; W257-P379 WeakPolarHBondContact O-CB 3.16Å
258W70Confident73.3Confident88 Ų8839 Ų3933%0.33319%0.192SC..Hα-helixtrans-72-37.9176.9176.6-101.6000111.8D256 F260 A261 S262D256-W258 VanDerWaalsContact C-N 3.28Å; D256-W258 PolarHBondContact O-N 3.15Å; W258-F260 VanDerWaalsContact C-N 3.32Å; W258-F260 PolarHBondContact O-N 3.48Å; W258-A261 HydrophobicContact CE3-CB 4.49Å; W258-A261 PolarHBondContact O-N 2.97Å; W258-S262 VanDerWaalsContact O-CB 3.29Å; W258-S262 WeakPolarHBondContact O-CB 3.31Å; W258-S262 PolarHBondContact O-N 3.46Å; W258-S262 PolarHBondContact O-OG 3.06Å
259E70.6Confident70.9Confident62 Ų6245.7 Ų45.729%0.2922%0.22SC..Hα-helixtrans-58.5-48.2176.9-163.3-168.8141.700110.1R245 D256 A261 S262 N263R245-E259 IonicContact CZ-OE1 3.62Å; R245-E259 IonicContact NH1-OE1 2.62Å; R245-E259 IonicContact NH2-OE1 3.49Å; R245-E259 PolarHBondContact NH2-OE1 3.33Å; D256-E259 WeakPolarHBondContact O-CB 3.34Å; D256-E259 PolarHBondContact O-N 2.98Å; D256-E259 VanDerWaalsContact O-N 3.07Å; E259-A261 PolarHBondContact O-N 3.19Å; E259-S262 WeakPolarHBondContact CA-OG 3.26Å; E259-S262 PolarHBondContact O-N 2.89Å; E259-S262 PolarHBondContact O-OG 2.95Å; E259-N263 PolarHBondContact O-N 3.31Å; E259-N263 PolarHBondContact O-ND2 3.25Å
260F73.4Confident68.2Low11 Ų1150.6 Ų50.65%0.04825%0.247CC..Hα-helixtrans-56.3-48175.2-92.5-91.5000112.8Q246 P250 L252 D256 W258 S262 E264 L314 Q351Q246-F260 HydrophobicContact CB-CE1 4.01Å; Q246-F260 HydrophobicContact CB-CZ 3.8Å; Q246-F260 HydrophobicContact CG-CE1 3.72Å; Q246-F260 HydrophobicContact CG-CE2 4.31Å; Q246-F260 HydrophobicContact CG-CZ 3.46Å; Q246-F260 VanDerWaalsContact CG-CZ 3.46Å; P250-F260 HydrophobicContact CG-CZ 4.07Å; L252-F260 HydrophobicContact CD1-CD2 4.17Å; L252-F260 HydrophobicContact CD1-CE2 4.17Å; L252-F260 HydrophobicContact CD2-CD2 3.76Å; L252-F260 HydrophobicContact CD2-CE2 3.22Å; L252-F260 HydrophobicContact CD2-CZ 3.96Å; L252-F260 HydrophobicContact CG-CE2 4.35Å; D256-F260 WeakPolarHBondContact O-CD2 3.48Å; D256-F260 PolarHBondContact O-N 3.01Å; W258-F260 VanDerWaalsContact C-N 3.32Å; W258-F260 PolarHBondContact O-N 3.48Å; F260-S262 PolarHBondContact O-N 3.16Å; F260-E264 PolarHBondContact O-N 2.72Å; F260-L314 HydrophobicContact CB-CD2 4.14Å; F260-L314 HydrophobicContact CD1-CD2 4.34Å; F260-L314 HydrophobicContact CG-CD2 4.29Å; F260-Q351 HydrophobicContact CD1-CG 4.21Å; F260-Q351 HydrophobicContact CE1-CG 3.91Å
261A68Low65.3Low1 Ų158.2 Ų58.21%0.00828%0.281CS..Hα-helixtrans-61.1-46177.700000112.2W257 W258 E259 N263 E264 L265 P379 I380W257-A261 PolarHBondContact O-N 3.06Å; W258-A261 HydrophobicContact CE3-CB 4.49Å; W258-A261 PolarHBondContact O-N 2.97Å; E259-A261 PolarHBondContact O-N 3.19Å; A261-N263 VanDerWaalsContact C-N 3.34Å; A261-N263 PolarHBondContact O-N 3.09Å; A261-E264 PolarHBondContact O-N 3.32Å; A261-L265 VanDerWaalsContact O-CB 3.24Å; A261-L265 WeakPolarHBondContact O-CB 3.34Å; A261-L265 WeakPolarHBondContact O-CG 3.22Å; A261-L265 PolarHBondContact O-N 3.12Å; A261-P379 HydrophobicContact CB-CB 3.69Å; A261-P379 HydrophobicContact CB-CG 3.45Å; A261-P379 VanDerWaalsContact CB-CG 3.45Å; A261-I380 HydrophobicContact CB-CG1 4.25Å
262S64.4Low62.4Low17 Ų1759.9 Ų59.912%0.11929%0.294CS..Hα-helixtrans-66.2-36.5-175.569.20000112.2W258 E259 F260 E264 L265 L266W258-S262 VanDerWaalsContact O-CB 3.29Å; W258-S262 WeakPolarHBondContact O-CB 3.31Å; W258-S262 PolarHBondContact O-N 3.46Å; W258-S262 PolarHBondContact O-OG 3.06Å; E259-S262 WeakPolarHBondContact CA-OG 3.26Å; E259-S262 PolarHBondContact O-N 2.89Å; E259-S262 PolarHBondContact O-OG 2.95Å; F260-S262 PolarHBondContact O-N 3.16Å; S262-E264 PolarHBondContact O-N 3.08Å; S262-L265 CarbonylContact O-C 3.59Å; S262-L265 PolarHBondContact O-N 2.79Å; S262-L266 PolarHBondContact O-N 2.8Å
263N64.6Low59.5Low12 Ų1267.3 Ų67.36%0.06433%0.328CS..Hα-helixtrans-63.9-31.2176.7-68.5-37.4000112.4R245 E259 A261R245-N263 PolarHBondContact NH2-ND2 2.9Å; E259-N263 PolarHBondContact O-N 3.31Å; E259-N263 PolarHBondContact O-ND2 3.25Å; A261-N263 VanDerWaalsContact C-N 3.34Å; A261-N263 PolarHBondContact O-N 3.09Å
264E65.3Low56.6Low17 Ų1772.6 Ų72.68%0.07935%0.353CS..Hα-helixtrans-91.7-23.3179.2-63.2-178.7167.100112.7F260 A261 S262 L266 Y311 R312F260-E264 PolarHBondContact O-N 2.72Å; A261-E264 PolarHBondContact O-N 3.32Å; S262-E264 PolarHBondContact O-N 3.08Å; E264-L266 VanDerWaalsContact C-N 3.33Å; E264-Y311 VanDerWaalsContact OE2-CA 3.32Å; E264-Y311 WeakPolarHBondContact OE2-CA 3.38Å; E264-R312 IonicContact OE1-CZ 3.4Å; E264-R312 VanDerWaalsContact OE1-CZ 3.22Å; E264-R312 IonicContact OE1-NE 2.72Å; E264-R312 PolarHBondContact OE1-NE 2.94Å; E264-R312 IonicContact OE1-NH2 2.68Å; E264-R312 PolarHBondContact OE1-NH2 2.85Å; E264-R312 WeakPolarHBondContact OE2-CA 3.46Å; E264-R312 WeakPolarHBondContact OE2-CB 3.3Å; E264-R312 PolarHBondContact OE2-N 3.12Å
265L59.5Low53.8Low15 Ų1575.1 Ų75.18%0.07937%0.372CS..SBendtrans-84.5-1.7173-83.4-177.6000114.1A261 S262 D267 Y311 I380 I565A261-L265 VanDerWaalsContact O-CB 3.24Å; A261-L265 WeakPolarHBondContact O-CB 3.34Å; A261-L265 WeakPolarHBondContact O-CG 3.22Å; A261-L265 PolarHBondContact O-N 3.12Å; S262-L265 CarbonylContact O-C 3.59Å; S262-L265 PolarHBondContact O-N 2.79Å; L265-D267 PolarHBondContact O-N 3.17Å; L265-Y311 HydrophobicContact CD2-CD1 3.92Å; L265-Y311 HydrophobicContact CD2-CG 4.47Å; L265-I380 HydrophobicContact CD1-CD1 3.43Å; L265-I380 VanDerWaalsContact CD1-CD1 3.43Å; L265-I380 HydrophobicContact CD1-CG1 3.78Å; L265-I380 HydrophobicContact CD2-CD1 3.58Å; L265-I380 HydrophobicContact CG-CD1 3.65Å; L265-I380 HydrophobicContact CG-CG1 4.37Å; L265-I565 WeakPolarHBondContact O-CD1 3.36Å
266L51.2Low51.3Low34 Ų3473.7 Ų73.718%0.17838%0.378CS..  trans-53.794.7171.4-85.9152.7000107.7L242 S262 E264 I268 I565 I568L242-L266 HydrophobicContact CD1-CD1 4Å; S262-L266 PolarHBondContact O-N 2.8Å; E264-L266 VanDerWaalsContact C-N 3.33Å; L266-I268 PolarHBondContact O-N 3.36Å; L266-I565 HydrophobicContact CD2-CB 4.46Å; L266-I565 HydrophobicContact CD2-CG2 3.31Å; L266-I565 HydrophobicContact CG-CG2 3.7Å; L266-I568 HydrophobicContact CD1-CD1 3.32Å; L266-I568 HydrophobicContact CD1-CG1 4.19Å
267D46.6Very low48.6Very low90 Ų9075.8 Ų75.848%0.48140%0.395SS..  trans-61.395.4158.7-83.4-24.4000102L265 Q269 I565L265-D267 PolarHBondContact O-N 3.17Å; D267-Q269 PolarHBondContact O-N 2.91Å; D267-I565 HydrophobicContact CB-CD1 4.39Å
268I45.3Very low45.9Very low47 Ų4781.2 Ų81.224%0.24143%0.429CS..  trans-62.699.5175.3-60.2129.1000102.7L238 L239 L266 N270L238-I268 HydrophobicContact CD2-CD1 4.25Å; L238-I268 HydrophobicContact CD2-CG1 3.96Å; L239-I268 HydrophobicContact CD1-CD1 4.36Å; L239-I268 HydrophobicContact CD2-CD1 4.02Å; L239-I268 HydrophobicContact CG-CD1 4Å; L266-I268 PolarHBondContact O-N 3.36Å; I268-N270 VanDerWaalsContact C-N 3.29Å; I268-N270 PolarHBondContact O-N 2.9Å
269Q36.9Very low43.8Very low154 Ų15484.9 Ų84.972%0.7246%0.455SS*.  trans-52.1107.2177.7-76.5-167.8-2100104.1D267 H271D267-Q269 PolarHBondContact O-N 2.91Å; Q269-H271 PolarHBondContact O-N 2.79Å
270N34.9Very low41.7Very low117 Ų11787 Ų8763%0.62647%0.472SS*.  trans-46119.2171.8-94.7-20.7000104.5I268 N272I268-N270 VanDerWaalsContact C-N 3.29Å; I268-N270 PolarHBondContact O-N 2.9Å; N270-N272 PolarHBondContact O-N 2.91Å
271H30.5Very low39.3Very low174 Ų17492.7 Ų92.781%0.80651%0.508SS*.  trans-66.758.8177-119.129000108.2Q269 H273Q269-H271 PolarHBondContact O-N 2.79Å; H271-H273 PolarHBondContact O-N 3.31Å
272N28.9Very low37.4Very low119 Ų11999.5 Ų99.564%0.63655%0.545SS*.G310 helixtrans-87.514.6172.9-78.73.4000110.6N270 N274N270-N272 PolarHBondContact O-N 2.91Å; N272-N274 PolarHBondContact O-N 2.83Å
273H27.6Very low35.5Very low161 Ų161105.3 Ų105.375%0.74557%0.574SS**G310 helixtrans-75.20.2174-93.2-52.1000114.4H271H271-H273 PolarHBondContact O-N 3.31Å
274N26.5Very low33.6Very low147 Ų147112.1 Ų112.179%0.78661%0.611SS**G310 helixtrans-111.716.2-179.2-74.8-1.9000115.9N272N272-N274 PolarHBondContact O-N 2.83Å
275T24.7Very low31.8Very low104 Ų104118.2 Ų118.264%0.63865%0.649SS**  trans-124.555.7166.848.30000111.9S277T275-S277 PolarHBondContact O-N 2.89Å
276T24.8Very low30Very low137 Ų137123 Ų12384%0.8468%0.684SS**  trans-71.269136.133.90000107.6T278T276-T278 PolarHBondContact O-N 3.47Å
277S25.1Very low28.8Very low82 Ų82126.4 Ų126.457%0.57371%0.711SS**  trans-59.7114159.238.50000106.3T275 N279T275-S277 PolarHBondContact O-N 2.89Å; S277-N279 PolarHBondContact O-N 2.98Å; S277-N279 VanDerWaalsContact O-N 3.11Å
278T25.2Very low27.8Very low117 Ų117126.9 Ų126.972%0.71872%0.721SS**  trans-34.1112.7160.245.70000109.9T276 T280T276-T278 PolarHBondContact O-N 3.47Å; T278-T280 PolarHBondContact O-N 3.34Å
279N25.6Very low26.8Very low164 Ų164132.1 Ų132.188%0.87775%0.749SS**  trans-66.681.3166.6-74.2-20.6000107.7S277S277-N279 PolarHBondContact O-N 2.98Å; S277-N279 VanDerWaalsContact O-N 3.11Å
280T26.2Very low26.4Very low106 Ų106132.8 Ų132.865%0.6576%0.758SS**  trans-85.7113.2159.747.20000106.7T278 D282T278-T280 PolarHBondContact O-N 3.34Å; T280-D282 PolarHBondContact O-N 3.49Å
281T22.5Very low25.9Very low132 Ų132130 Ų13081%0.8176%0.757SS**  trans-46.2113.116845.50000111.4
282D28.5Very low25.7Very low144 Ų144128.2 Ų128.277%0.7776%0.761SS**  trans-136.599.2160.6-77.3-35.3000108.5T280T280-D282 PolarHBondContact O-N 3.49Å
283D25.8Very low25.4Very low139 Ų139131.1 Ų131.174%0.74377%0.773SS**  trans33.7110.1138.8-62.7-23.6000120.8
284N23.7Very low25.1Very low154 Ų154127.7 Ų127.782%0.82477%0.772SS**  21.6105.3124.3-68.2-27.6000117.5
285T28Very low25Very low145 Ų145129.7 Ų129.789%0.8978%0.777SS**  trans-151117.213431.60000110.8
286S22.1Very low24.9Very low115 Ų115133.4 Ų133.480%0.80479%0.787SS**  trans-68.1136.4164.750.70000111.4
287S25.2Very low24.8Very low107 Ų107131 Ų13175%0.74878%0.776SS**  trans176.5131.3130.5550000113.6
288S25.6Very low24.8Very low100 Ų100135.2 Ų135.270%0.69979%0.791SS**  trans63.3105.1139.262.90000121
289N24.9Very low24.8Very low156 Ų156137.1 Ų137.183%0.83479%0.791SS**  34.2105.4120.5-67.3-10.2000118.2
290D28.9Very low24.9Very low169 Ų169133 Ų13390%0.90478%0.776SS**  trans-131.1132.8138.7-91.6-38.2000109
291G23.2Very low25.1Very low58 Ų58136 Ų13660%0.59879%0.787SS**  trans-68.6170.9-16500000114.9M293G291-M293 PolarHBondContact O-N 3.25Å
292P26.2Very low25.4Very low137 Ų137132.9 Ų132.989%0.8977%0.768SS**  trans-68.5103.4-176.528.3-32.4000109.5A294P292-A294 PolarHBondContact O-N 3.24Å
293M22.6Very low25.5Very low179 Ų179127.5 Ų127.588%0.88274%0.742SS**  trans-59.2115.4164.9-80.2-141.997.400108G291 Q295G291-M293 PolarHBondContact O-N 3.25Å; M293-Q295 PolarHBondContact O-N 3.35Å
294A21.9Very low25.7Very low90 Ų90124.7 Ų124.774%0.74473%0.731SS**  trans-48.6101.8168.800000108.9P292 Q296P292-A294 PolarHBondContact O-N 3.24Å; A294-Q296 PolarHBondContact O-N 3.01Å
295Q24.4Very low26.2Very low188 Ų188120 Ų12088%0.87971%0.709SS**  trans-64.596.2165.1-75.1179.7-15.500105.9M293 S297M293-Q295 PolarHBondContact O-N 3.35Å; Q295-S297 VanDerWaalsContact C-N 3.3Å; Q295-S297 PolarHBondContact O-N 3.19Å
296Q23.5Very low26.8Very low183 Ų183115.8 Ų115.886%0.85568%0.679SS**  trans-54.3102.1166.2-76.3177.2-17.400106.8A294 L298A294-Q296 PolarHBondContact O-N 3.01Å; Q296-L298 VanDerWaalsContact C-N 3.29Å; Q296-L298 PolarHBondContact O-N 2.87Å
297S22.7Very low27.6Very low85 Ų85113.8 Ų113.859%0.59467%0.665SS**  trans-6492.7175.754.80000107.7Q295 H299Q295-S297 VanDerWaalsContact C-N 3.3Å; Q295-S297 PolarHBondContact O-N 3.19Å; S297-H299 PolarHBondContact O-N 3.04Å
298L24.6Very low28.4Very low171 Ų171117.2 Ų117.290%0.89566%0.662SS**  trans-67.287.2167.4-155.181.8000106.4Q296 S300Q296-L298 VanDerWaalsContact C-N 3.29Å; Q296-L298 PolarHBondContact O-N 2.87Å; L298-S300 PolarHBondContact O-N 3.03Å
299H23.8Very low29.8Very low157 Ų157115 Ų11573%0.72764%0.639SS**  trans-65.283.6171.2-74.6-10.6000107.8S297 N301S297-H299 PolarHBondContact O-N 3.04Å; H299-N301 PolarHBondContact O-N 2.86Å
300S29.6Very low31.6Very low79 Ų79112.8 Ų112.855%0.55263%0.627SS**  trans-57.2125.9155.870.90000106.1L298 T302L298-S300 PolarHBondContact O-N 3.03Å; S300-T302 PolarHBondContact O-N 2.89Å; S300-T302 PolarHBondContact O-OG1 2.81Å; S300-T302 PolarHBondContact OG-OG1 2.95Å
301N29.5Very low33.9Very low167 Ų167105.5 Ų105.589%0.89359%0.587SS**  trans-68.847.8178.9-77.6-29.5000111.5H299H299-N301 PolarHBondContact O-N 2.86Å
302T28Very low36.9Very low67 Ų67103.5 Ų103.541%0.41156%0.561SS.*  trans-87.6123.8174.550.50000108.1S300 Q306S300-T302 PolarHBondContact O-N 2.89Å; S300-T302 PolarHBondContact O-OG1 2.81Å; S300-T302 PolarHBondContact OG-OG1 2.95Å; T302-Q306 VanDerWaalsContact CG2-OE1 3.29Å
303S30.7Very low39.9Very low32 Ų3297 Ų9722%0.22452%0.519CS..  trans-58.6147.8177.976.90000109.1V305 Q306S303-V305 PolarHBondContact O-N 2.63Å; S303-Q306 VanDerWaalsContact N-CD 3.32Å; S303-Q306 WeakPolarHBondContact O-CA 3.46Å; S303-Q306 VanDerWaalsContact O-CB 3.24Å; S303-Q306 WeakPolarHBondContact O-CB 3.33Å; S303-Q306 PolarHBondContact O-N 2.85Å; S303-Q306 WeakPolarHBondContact OG-CG 3.45Å; S303-Q306 PolarHBondContact OG-NE2 3.42Å
304P29.5Very low43.2Very low79 Ų7988.6 Ų88.651%0.51348%0.478SS..THydrogen-bonded Turntrans-61.6-12.3-175.319.8-30.5000114.1Y308P304-Y308 WeakPolarHBondContact O-CD2 3.43Å
305V35Very low46.6Very low57 Ų5784.3 Ų84.335%0.34544%0.443SS..THydrogen-bonded Turntrans-76.6-32.7170.3-176.90000111.3S303 S307S303-V305 PolarHBondContact O-N 2.63Å; V305-S307 VanDerWaalsContact C-N 3.28Å; V305-S307 PolarHBondContact O-N 2.86Å
306Q41.5Very low49.9Very low55 Ų5575.4 Ų75.426%0.25740%0.401SS..THydrogen-bonded Turntrans-67.7-24.9179.1-65.4168.416.100113T302 S303T302-Q306 VanDerWaalsContact CG2-OE1 3.29Å; S303-Q306 VanDerWaalsContact N-CD 3.32Å; S303-Q306 WeakPolarHBondContact O-CA 3.46Å; S303-Q306 VanDerWaalsContact O-CB 3.24Å; S303-Q306 WeakPolarHBondContact O-CB 3.33Å; S303-Q306 PolarHBondContact O-N 2.85Å; S303-Q306 WeakPolarHBondContact OG-CG 3.45Å; S303-Q306 PolarHBondContact OG-NE2 3.42Å
307S37.4Very low53.2Low74 Ų7466.7 Ų66.752%0.51736%0.36SS..THydrogen-bonded Turntrans-81.7-12-172.8-168.90000115.3V305V305-S307 VanDerWaalsContact C-N 3.28Å; V305-S307 PolarHBondContact O-N 2.86Å
308Y42.9Very low56.4Low178 Ų17862.6 Ų62.670%0.69833%0.332SS*.THydrogen-bonded Turntrans-129.4-2.2-168.8-60.7-72.4000115.6P304P304-Y308 WeakPolarHBondContact O-CD2 3.43Å
309R54.9Low59.4Low54 Ų5454.6 Ų54.620%0.20429%0.29CS..  trans-96.8102.8179.8-151.4-174-95.7130.3-3.1110.4Y311R309-Y311 WeakPolarHBondContact CD-O 3.2Å; R309-Y311 HydrophobicContact CG-CD1 3.48Å; R309-Y311 VanDerWaalsContact CG-CD1 3.48Å; R309-Y311 HydrophobicContact CG-CD2 4.38Å; R309-Y311 HydrophobicContact CG-CE1 3.22Å; R309-Y311 HydrophobicContact CG-CE2 4.2Å; R309-Y311 HydrophobicContact CG-CG 4.05Å; R309-Y311 VanDerWaalsContact CG-O 3.25Å; R309-Y311 WeakPolarHBondContact CG-O 3.48Å; R309-Y311 PolarHBondContact NE-OH 3.21Å; R309-Y311 PolarHBondContact O-N 2.87Å
310N63.4Low62.3Low110 Ų11049.9 Ų49.959%0.58827%0.27SS*.  trans-82.50.7175.3-67.5-2.5000113.3
311Y75.8Confident64.6Low15 Ų1551.7 Ų51.76%0.05927%0.27CS..SBendtrans-129158.6-177.872.9-83.3000111.5E264 L265 R309 L313 N378 I380E264-Y311 VanDerWaalsContact OE2-CA 3.32Å; E264-Y311 WeakPolarHBondContact OE2-CA 3.38Å; L265-Y311 HydrophobicContact CD2-CD1 3.92Å; L265-Y311 HydrophobicContact CD2-CG 4.47Å; R309-Y311 WeakPolarHBondContact CD-O 3.2Å; R309-Y311 HydrophobicContact CG-CD1 3.48Å; R309-Y311 VanDerWaalsContact CG-CD1 3.48Å; R309-Y311 HydrophobicContact CG-CD2 4.38Å; R309-Y311 HydrophobicContact CG-CE1 3.22Å; R309-Y311 HydrophobicContact CG-CE2 4.2Å; R309-Y311 HydrophobicContact CG-CG 4.05Å; R309-Y311 VanDerWaalsContact CG-O 3.25Å; R309-Y311 WeakPolarHBondContact CG-O 3.48Å; R309-Y311 PolarHBondContact NE-OH 3.21Å; R309-Y311 PolarHBondContact O-N 2.87Å; Y311-L313 HydrophobicContact CE2-CD2 4.11Å; Y311-N378 WeakPolarHBondContact CE2-OD1 3.4Å; Y311-N378 PolarHBondContact OH-ND2 2.72Å; Y311-N378 PolarHBondContact OH-OD1 3.23Å; Y311-I380 HydrophobicContact CD1-CD1 3.44Å; Y311-I380 VanDerWaalsContact CD1-CD1 3.44Å; Y311-I380 HydrophobicContact CD2-CD1 3.86Å; Y311-I380 HydrophobicContact CD2-CG1 4.26Å; Y311-I380 HydrophobicContact CE1-CD1 3.14Å; Y311-I380 HydrophobicContact CE1-CG1 4.29Å; Y311-I380 HydrophobicContact CE2-CD1 3.58Å; Y311-I380 HydrophobicContact CE2-CG1 3.89Å; Y311-I380 HydrophobicContact CG-CD1 3.8Å
312R86Confident66.7Low16 Ų1650.1 Ų50.16%0.0626%0.261CS..  trans-96150.2-178.8-63.6-175.1-67.31634.3110.6E264 I347 Y349 Q351E264-R312 IonicContact OE1-CZ 3.4Å; E264-R312 VanDerWaalsContact OE1-CZ 3.22Å; E264-R312 IonicContact OE1-NE 2.72Å; E264-R312 PolarHBondContact OE1-NE 2.94Å; E264-R312 IonicContact OE1-NH2 2.68Å; E264-R312 PolarHBondContact OE1-NH2 2.85Å; E264-R312 WeakPolarHBondContact OE2-CA 3.46Å; E264-R312 WeakPolarHBondContact OE2-CB 3.3Å; E264-R312 PolarHBondContact OE2-N 3.12Å; R312-I347 WeakPolarHBondContact CD-O 3.42Å; R312-Y349 CarbonylContact C-O 3.53Å; R312-Y349 VanDerWaalsContact CA-O 3.24Å; R312-Y349 WeakPolarHBondContact CA-O 3.45Å; R312-Y349 WeakPolarHBondContact CB-O 3.19Å; R312-Q351 VanDerWaalsContact CZ-OE1 3.27Å
313L90.2Very high68.5Low1 Ų149.8 Ų49.81%0.00526%0.256CS..EExtended strand (participates in β ladder)trans-84.7150.3170.8-56.9178.2000109.7Y311 Y349 F350 Q351 V376 N378 I411Y311-L313 HydrophobicContact CE2-CD2 4.11Å; L313-Y349 PolarHBondContact N-O 2.81Å; L313-F350 HydrophobicContact CB-CD1 3.78Å; L313-F350 HydrophobicContact CB-CE1 3.88Å; L313-F350 HydrophobicContact CD1-CE1 3.82Å; L313-F350 HydrophobicContact CD1-CZ 4.42Å; L313-F350 HydrophobicContact CG-CE1 4.34Å; L313-F350 CarbonylContact O-C 3.52Å; L313-F350 VanDerWaalsContact O-CA 3.24Å; L313-F350 WeakPolarHBondContact O-CA 3.45Å; L313-Q351 PolarHBondContact O-N 2.86Å; L313-V376 HydrophobicContact CB-CG1 3.71Å; L313-V376 HydrophobicContact CD1-CG1 4.06Å; L313-V376 HydrophobicContact CG-CG1 4.5Å; L313-N378 HydrophobicContact CD2-CB 3.68Å; L313-I411 HydrophobicContact CD1-CG2 3.79Å
314L92.5Very high70.1Confident3 Ų351.8 Ų51.82%0.01626%0.261CS..EExtended strand (participates in β ladder)trans-91.4113.7179.1-62178.9000109.5L252 W257 F260 L316 Q351 V376 L377 P379L252-L314 HydrophobicContact CD1-CD1 4.27Å; L252-L314 HydrophobicContact CD1-CD2 4.22Å; W257-L314 HydrophobicContact CB-CD1 3.86Å; W257-L314 HydrophobicContact CG-CD1 4.01Å; F260-L314 HydrophobicContact CB-CD2 4.14Å; F260-L314 HydrophobicContact CD1-CD2 4.34Å; F260-L314 HydrophobicContact CG-CD2 4.29Å; L314-L316 HydrophobicContact CB-CD2 4.25Å; L314-L316 HydrophobicContact CB-CG 4.26Å; L314-L316 PolarHBondContact O-N 3.12Å; L314-Q351 CarbonylContact C-O 3.59Å; L314-Q351 WeakPolarHBondContact CA-O 3.21Å; L314-Q351 HydrophobicContact CD2-CB 3.98Å; L314-Q351 HydrophobicContact CD2-CG 4.26Å; L314-V376 CarbonylContact O-C 3.56Å; L314-V376 VanDerWaalsContact O-CA 3.26Å; L314-V376 WeakPolarHBondContact O-CA 3.42Å; L314-L377 HydrophobicContact CB-CB 4.34Å; L314-L377 HydrophobicContact CD1-CD2 4.38Å; L314-L377 PolarHBondContact N-O 3.16Å; L314-L377 PolarHBondContact O-N 3.33Å; L314-P379 HydrophobicContact CD1-CB 4.19Å; L314-P379 HydrophobicContact CD1-CG 4.39Å; L314-P379 HydrophobicContact CG-CG 4.38Å
315G93.6Very high71.8Confident0 Ų056.5 Ų56.50%027%0.274CS..EExtended strand (participates in β ladder)trans-88.698.3171.200000110.4Q351 L352 A353G315-Q351 PolarHBondContact N-O 2.84Å; G315-L352 WeakPolarHBondContact O-CA 3.3Å; G315-A353 PolarHBondContact O-N 2.97Å; G315-A353 VanDerWaalsContact O-O 3.06Å
316L93.6Very high73.1Confident0 Ų057.2 Ų57.20%028%0.281CS..EExtended strand (participates in β ladder)trans-96.4118.8-172.9-59.7175.6000111.4L252 W257 L314 A353 T355 L361 F374 I375 L377L252-L316 HydrophobicContact CB-CD2 4.47Å; L252-L316 HydrophobicContact CD1-CD2 4.17Å; W257-L316 HydrophobicContact CZ2-CD1 4.09Å; L314-L316 HydrophobicContact CB-CD2 4.25Å; L314-L316 HydrophobicContact CB-CG 4.26Å; L314-L316 PolarHBondContact O-N 3.12Å; L316-A353 CarbonylContact C-O 3.6Å; L316-A353 WeakPolarHBondContact CA-O 3.23Å; L316-A353 HydrophobicContact CD2-CB 3.98Å; L316-T355 HydrophobicContact CB-CG2 4.22Å; L316-T355 HydrophobicContact CD1-CG2 4.33Å; L316-L361 HydrophobicContact CD1-CD2 4.17Å; L316-F374 WeakPolarHBondContact O-CA 3.37Å; L316-I375 WeakPolarHBondContact CA-O 3.48Å; L316-I375 WeakPolarHBondContact CB-O 3.3Å; L316-I375 PolarHBondContact N-O 3.12Å; L316-I375 PolarHBondContact O-N 3.26Å; L316-L377 HydrophobicContact CD1-CB 4.14Å; L316-L377 HydrophobicContact CD1-CD2 4.15Å
317F92.1Very high73.6Confident0 Ų058.9 Ų58.90%030%0.299CS..EExtended strand (participates in β ladder)trans-80.2116.2163.1-70.1-94.5000109F249 V331 F334 G335 A353 W354 T355 F374 F399 L404F249-F317 AromaticContact CE2-CD2 3.52Å; F249-F317 HydrophobicContact CE2-CD2 3.52Å; F249-F317 AromaticContact CE2-CE2 3.89Å; F249-F317 HydrophobicContact CE2-CE2 3.89Å; F249-F317 HydrophobicContact CE2-CG 4.43Å; F249-F317 HydrophobicContact CZ-CB 4.21Å; F249-F317 AromaticContact CZ-CD2 3.59Å; F249-F317 HydrophobicContact CZ-CD2 3.59Å; F249-F317 HydrophobicContact CZ-CE2 4.22Å; F249-F317 HydrophobicContact CZ-CG 4.06Å; F317-V331 HydrophobicContact CD1-CG1 3.69Å; F317-V331 HydrophobicContact CE1-CG1 4.47Å; F317-F334 AromaticContact CE1-CD1 3.79Å; F317-F334 HydrophobicContact CE1-CD1 3.79Å; F317-F334 HydrophobicContact CE1-CE1 4.09Å; F317-F334 HydrophobicContact CZ-CD1 4.08Å; F317-F334 HydrophobicContact CZ-CE1 4.16Å; F317-G335 VanDerWaalsContact CE2-CA 3.48Å; F317-A353 PolarHBondContact N-O 3.48Å; F317-W354 HydrophobicContact CB-CB 4.07Å; F317-W354 CarbonylContact O-C 3.48Å; F317-W354 WeakPolarHBondContact O-CA 3.29Å; F317-W354 WeakPolarHBondContact O-CB 3.32Å; F317-T355 PolarHBondContact O-N 2.97Å; F317-F374 AromaticContact CD1-CD2 3.94Å; F317-F374 HydrophobicContact CD1-CD2 3.94Å; F317-F374 AromaticContact CD2-CD2 3.81Å; F317-F374 HydrophobicContact CD2-CD2 3.81Å; F317-F374 AromaticContact CD2-CE2 3.84Å; F317-F374 HydrophobicContact CD2-CE2 3.84Å; F317-F374 AromaticContact CE1-CD2 3.86Å; F317-F374 HydrophobicContact CE1-CD2 3.86Å; F317-F374 HydrophobicContact CE1-CE2 4.43Å; F317-F374 AromaticContact CE2-CD2 3.74Å; F317-F374 HydrophobicContact CE2-CD2 3.74Å; F317-F374 AromaticContact CE2-CE2 3.54Å; F317-F374 HydrophobicContact CE2-CE2 3.54Å; F317-F374 AromaticContact CG-CD2 3.93Å; F317-F374 HydrophobicContact CG-CD2 3.93Å; F317-F374 HydrophobicContact CG-CE2 4.43Å; F317-F374 AromaticContact CZ-CD2 3.77Å; F317-F374 HydrophobicContact CZ-CD2 3.77Å; F317-F374 AromaticContact CZ-CE2 3.87Å; F317-F374 HydrophobicContact CZ-CE2 3.87Å; F317-F399 AromaticContact CD1-CE1 4Å; F317-F399 HydrophobicContact CD1-CE1 4Å; F317-F399 AromaticContact CE1-CD1 3.99Å; F317-F399 HydrophobicContact CE1-CD1 3.99Å; F317-F399 AromaticContact CE1-CE1 3.84Å; F317-F399 HydrophobicContact CE1-CE1 3.84Å; F317-L404 HydrophobicContact CE1-CD2 4.31Å; F317-L404 HydrophobicContact CZ-CD2 3.77Å
318V90Very high74.6Confident0 Ų059.3 Ų59.30%030%0.3CS..EExtended strand (participates in β ladder)trans-99120.3-174.9-171.30000109T355 I358 L361 I371 P372 N373 I375V318-T355 HydrophobicContact CG2-CG2 4.18Å; V318-I358 HydrophobicContact CG1-CG1 3.87Å; V318-L361 HydrophobicContact CB-CD1 4.46Å; V318-L361 HydrophobicContact CG1-CD1 4.02Å; V318-L361 HydrophobicContact CG2-CD1 3.55Å; V318-I371 HydrophobicContact CG1-CG1 4.27Å; V318-P372 WeakPolarHBondContact O-CA 3.44Å; V318-N373 HydrophobicContact CB-CB 4.31Å; V318-N373 PolarHBondContact N-O 3.3Å; V318-N373 PolarHBondContact O-N 3.32Å; V318-N373 VanDerWaalsContact O-N 3.07Å; V318-I375 HydrophobicContact CG2-CB 4.42Å; V318-I375 HydrophobicContact CG2-CD1 3.9Å; V318-I375 HydrophobicContact CG2-CG1 4.01Å
319I87.4Confident75.8Confident2 Ų251.6 Ų51.61%0.0127%0.272CS..  trans-130160.3178.459155000110.9E324 L332 W354 T355 N356I319-E324 HydrophobicContact CD1-CB 4.32Å; I319-L332 HydrophobicContact CD1-CD1 3.64Å; I319-L332 HydrophobicContact CD1-CD2 3.99Å; I319-L332 HydrophobicContact CD1-CG 3.99Å; I319-L332 HydrophobicContact CG1-CD2 4.33Å; I319-L332 HydrophobicContact CG2-CD2 4.2Å; I319-L332 HydrophobicContact CG2-CG 4.4Å; I319-W354 HydrophobicContact CD1-CE3 3.85Å; I319-W354 HydrophobicContact CD1-CZ3 3.81Å; I319-W354 HydrophobicContact CG1-CE3 3.95Å; I319-W354 HydrophobicContact CG1-CZ3 4.23Å; I319-T355 PolarHBondContact N-O 3.4Å; I319-T355 VanDerWaalsContact N-O 3.08Å; I319-N356 WeakPolarHBondContact O-CA 3.49Å
320D83.9Confident76.9Confident58 Ų5858.9 Ų58.931%0.3130%0.299SS..  trans-79.3143.4173.3-166.9-19.3000110.3L322 I323 E324 I371D320-L322 PolarHBondContact O-N 2.87Å; D320-L322 PolarHBondContact OD1-N 3.36Å; D320-L322 VanDerWaalsContact OD1-N 3.12Å; D320-I323 HydrophobicContact CB-CD1 3.92Å; D320-I323 HydrophobicContact CB-CG1 4.04Å; D320-I323 PolarHBondContact O-N 2.75Å; D320-E324 PolarHBondContact O-N 3.03Å; D320-E324 VanDerWaalsContact O-N 3.14Å; D320-I371 HydrophobicContact CB-CG2 4.33Å
321Q79.4Confident77.8Confident118 Ų11854.3 Ų54.355%0.55128%0.276SS*.Hα-helixtrans-58.2-31172.8-172.1178.812.800112.2I323 E324 N356Q321-I323 VanDerWaalsContact C-N 3.33Å; Q321-E324 WeakPolarHBondContact O-CB 3.19Å; Q321-E324 PolarHBondContact O-N 3.06Å; Q321-N356 HydrophobicContact CB-CB 4.46Å
322L72.2Confident78.3Confident134 Ų13454.8 Ų54.870%0.70228%0.279SS*.Hα-helixtrans-65.8-37.7175-66.9175.9000111.9D320D320-L322 PolarHBondContact O-N 2.87Å; D320-L322 PolarHBondContact OD1-N 3.36Å; D320-L322 VanDerWaalsContact OD1-N 3.12Å
323I65.7Low78.4Confident60 Ų6058.5 Ų58.531%0.30830%0.297SS..Hα-helixtrans-74.5-31.2-179.2-58.8170.9000110.8D320 Q321 K325 S326 S329D320-I323 HydrophobicContact CB-CD1 3.92Å; D320-I323 HydrophobicContact CB-CG1 4.04Å; D320-I323 PolarHBondContact O-N 2.75Å; Q321-I323 VanDerWaalsContact C-N 3.33Å; I323-K325 PolarHBondContact O-N 2.72Å; I323-K325 VanDerWaalsContact O-N 3.12Å; I323-S326 WeakPolarHBondContact CA-OG 3.34Å; I323-S326 PolarHBondContact O-N 2.66Å; I323-S326 PolarHBondContact O-OG 3.08Å; I323-S329 VanDerWaalsContact CG2-OG 3.24Å; I323-S329 WeakPolarHBondContact CG2-OG 3.46Å
324E65.7Low78.3Confident73 Ų7360.3 Ų60.334%0.34131%0.305SS..Hα-helixtrans-51.7-35.6175.4-173.6179.4173.100112.2K251 I319 D320 Q321 W354 N356K251-E324 IonicContact NZ-OE1 3.66Å; K251-E324 PolarHBondContact NZ-OE1 3.49Å; K251-E324 IonicContact NZ-OE2 2.59Å; K251-E324 PolarHBondContact NZ-OE2 2.9Å; I319-E324 HydrophobicContact CD1-CB 4.32Å; D320-E324 PolarHBondContact O-N 3.03Å; D320-E324 VanDerWaalsContact O-N 3.14Å; Q321-E324 WeakPolarHBondContact O-CB 3.19Å; Q321-E324 PolarHBondContact O-N 3.06Å; E324-W354 HydrophobicContact CG-CH2 4.04Å; E324-W354 HydrophobicContact CG-CZ3 4.31Å; E324-W354 WeakPolarHBondContact OE1-CH2 3.44Å; E324-N356 PolarHBondContact OE2-ND2 2.99Å
325K65Low78.2Confident179 Ų17960.1 Ų60.178%0.77830%0.304SS*.THydrogen-bonded Turntrans-83.4-20.8179.5-63.3-175.3-179.6179.90113.7I323 S327I323-K325 PolarHBondContact O-N 2.72Å; I323-K325 VanDerWaalsContact O-N 3.12Å; K325-S327 PolarHBondContact O-N 3.26Å
326S62.6Low78Confident72 Ų7266.7 Ų66.750%0.50333%0.329SS..SBendtrans-98.746.5-163.471.50000114.1I323I323-S326 WeakPolarHBondContact CA-OG 3.34Å; I323-S326 PolarHBondContact O-N 2.66Å; I323-S326 PolarHBondContact O-OG 3.08Å
327S51.5Low77.8Confident89 Ų8971.4 Ų71.462%0.62235%0.354SS*.SBendtrans75.6146.5-16980.10000113.7K325 S329K325-S327 PolarHBondContact O-N 3.26Å; S327-S329 PolarHBondContact O-N 3.28Å
328P57.9Low77.8Confident84 Ų8471.7 Ų71.755%0.54536%0.356SS..  trans-57.6119.1-175.922-31.6000109.5R330 E333P328-R330 PolarHBondContact O-N 3.38Å; P328-E333 HydrophobicContact CB-CG 4.21Å
329S68.4Low77.8Confident16 Ų1672.2 Ų72.211%0.11236%0.36CS..  trans-59.7133.6-179.8-23.70000107.9I323 S327 V331 L332 E333I323-S329 VanDerWaalsContact CG2-OG 3.24Å; I323-S329 WeakPolarHBondContact CG2-OG 3.46Å; S327-S329 PolarHBondContact O-N 3.28Å; S329-V331 CarbonylContact O-C 3.56Å; S329-V331 PolarHBondContact O-N 3.27Å; S329-L332 WeakPolarHBondContact O-CA 3.43Å; S329-L332 PolarHBondContact O-N 3.25Å; S329-E333 PolarHBondContact O-N 3.47Å; S329-E333 VanDerWaalsContact O-N 3.13Å
330R78.6Confident77.9Confident206 Ų20674.9 Ų74.978%0.77737%0.374SS*.Hα-helixtrans-44.5-29.7171.6-174.8179.9180112.90112.9P328 F334P328-R330 PolarHBondContact O-N 3.38Å; R330-F334 VanDerWaalsContact O-CB 3.26Å; R330-F334 WeakPolarHBondContact O-CB 3.41Å; R330-F334 PolarHBondContact O-N 2.93Å
331V81.6Confident78.2Confident14 Ų1477.3 Ų77.39%0.08538%0.382CS..Hα-helixtrans-66.7-46.3174.7-1770000113.2F317 S329 F334 G335 P372 F399F317-V331 HydrophobicContact CD1-CG1 3.69Å; F317-V331 HydrophobicContact CE1-CG1 4.47Å; S329-V331 CarbonylContact O-C 3.56Å; S329-V331 PolarHBondContact O-N 3.27Å; V331-F334 PolarHBondContact O-N 3.3Å; V331-G335 PolarHBondContact O-N 2.96Å; V331-P372 HydrophobicContact CG1-CB 4.36Å; V331-P372 HydrophobicContact CG2-CB 3.88Å; V331-P372 HydrophobicContact CG2-CG 3.93Å; V331-F399 HydrophobicContact CB-CE2 4.04Å; V331-F399 HydrophobicContact CB-CZ 4.34Å; V331-F399 HydrophobicContact CG1-CD2 4.33Å; V331-F399 HydrophobicContact CG1-CE1 3.96Å; V331-F399 HydrophobicContact CG1-CE2 3.63Å; V331-F399 HydrophobicContact CG1-CZ 3.42Å; V331-F399 VanDerWaalsContact CG1-CZ 3.42Å; V331-F399 HydrophobicContact CG2-CD2 3.87Å; V331-F399 HydrophobicContact CG2-CE2 3.34Å; V331-F399 HydrophobicContact CG2-CZ 4.05Å
332L87.1Confident78.4Confident25 Ų2574.4 Ų74.413%0.13137%0.366CS..Hα-helixtrans-67.5-39.7176.5-68.9-174.1000111.1F249 I319 S329 G335 R336 W354F249-L332 HydrophobicContact CE1-CD2 4.19Å; I319-L332 HydrophobicContact CD1-CD1 3.64Å; I319-L332 HydrophobicContact CD1-CD2 3.99Å; I319-L332 HydrophobicContact CD1-CG 3.99Å; I319-L332 HydrophobicContact CG1-CD2 4.33Å; I319-L332 HydrophobicContact CG2-CD2 4.2Å; I319-L332 HydrophobicContact CG2-CG 4.4Å; S329-L332 WeakPolarHBondContact O-CA 3.43Å; S329-L332 PolarHBondContact O-N 3.25Å; L332-G335 PolarHBondContact O-N 2.91Å; L332-R336 WeakPolarHBondContact O-CB 3.27Å; L332-R336 PolarHBondContact O-N 2.93Å; L332-W354 HydrophobicContact CD2-CB 3.55Å; L332-W354 HydrophobicContact CD2-CD2 3.92Å; L332-W354 HydrophobicContact CD2-CE3 4.17Å; L332-W354 HydrophobicContact CD2-CG 3.68Å
333E86.8Confident79.2Confident95 Ų9570.4 Ų70.444%0.44435%0.345SS..Hα-helixtrans-62.1-45.4174.4-66.6-177163.700111.2P328 S329 R336 N337P328-E333 HydrophobicContact CB-CG 4.21Å; S329-E333 PolarHBondContact O-N 3.47Å; S329-E333 VanDerWaalsContact O-N 3.13Å; E333-R336 PolarHBondContact O-N 3.33Å; E333-N337 VanDerWaalsContact O-CB 3.3Å; E333-N337 WeakPolarHBondContact O-CB 3.45Å; E333-N337 PolarHBondContact O-N 3.37Å; E333-N337 PolarHBondContact O-ND2 3.43Å
334F88.2Confident80Confident38 Ų3872 Ų7217%0.16736%0.359CS..Hα-helixtrans-59.3-48.3174.3173-94.7000112F317 R330 V331 N337 L338 F399 E401 L404F317-F334 AromaticContact CE1-CD1 3.79Å; F317-F334 HydrophobicContact CE1-CD1 3.79Å; F317-F334 HydrophobicContact CE1-CE1 4.09Å; F317-F334 HydrophobicContact CZ-CD1 4.08Å; F317-F334 HydrophobicContact CZ-CE1 4.16Å; R330-F334 VanDerWaalsContact O-CB 3.26Å; R330-F334 WeakPolarHBondContact O-CB 3.41Å; R330-F334 PolarHBondContact O-N 2.93Å; V331-F334 PolarHBondContact O-N 3.3Å; F334-N337 PolarHBondContact O-N 3.27Å; F334-L338 WeakPolarHBondContact O-CB 3.29Å; F334-L338 PolarHBondContact O-N 3.01Å; F334-F399 HydrophobicContact CD1-CB 3.75Å; F334-F399 AromaticContact CD1-CD1 3.93Å; F334-F399 HydrophobicContact CD1-CD1 3.93Å; F334-F399 HydrophobicContact CD1-CG 4.09Å; F334-F399 HydrophobicContact CD2-CB 4.27Å; F334-F399 HydrophobicContact CE1-CB 3.79Å; F334-F399 AromaticContact CE1-CD1 3.92Å; F334-F399 HydrophobicContact CE1-CD1 3.92Å; F334-F399 HydrophobicContact CE1-CG 4.27Å; F334-F399 HydrophobicContact CE2-CB 4.31Å; F334-F399 WeakPolarHBondContact CE2-O 3.49Å; F334-F399 HydrophobicContact CG-CB 3.99Å; F334-F399 HydrophobicContact CZ-CB 4.07Å; F334-E401 HydrophobicContact CE2-CB 4.28Å; F334-E401 HydrophobicContact CZ-CB 4.41Å; F334-L404 HydrophobicContact CE1-CD2 3.69Å; F334-L404 HydrophobicContact CZ-CD2 4.26Å
335G90.4Very high80.8Confident0 Ų074.4 Ų74.40%037%0.37CS..Hα-helixtrans-63.5-42.817900000113F317 V331 L332 L338 A339F317-G335 VanDerWaalsContact CE2-CA 3.48Å; V331-G335 PolarHBondContact O-N 2.96Å; L332-G335 PolarHBondContact O-N 2.91Å; G335-L338 PolarHBondContact O-N 2.74Å; G335-A339 WeakPolarHBondContact O-CB 3.45Å; G335-A339 PolarHBondContact O-N 2.88Å
336R90.3Very high81.8Confident137 Ų13766.2 Ų66.252%0.51734%0.335SS..Hα-helixtrans-61.3-48.7174.1179.8177-106.2160.5-7.4110.9F249 L332 E333 L338 A339 L340F249-R336 HydrophobicContact CB-CB 4.48Å; F249-R336 HydrophobicContact CD1-CB 3.76Å; F249-R336 HydrophobicContact CD1-CG 4.49Å; F249-R336 HydrophobicContact CE1-CB 4.24Å; F249-R336 HydrophobicContact CG-CB 4.23Å; L332-R336 WeakPolarHBondContact O-CB 3.27Å; L332-R336 PolarHBondContact O-N 2.93Å; E333-R336 PolarHBondContact O-N 3.33Å; R336-L338 VanDerWaalsContact C-N 3.31Å; R336-L338 PolarHBondContact O-N 2.81Å; R336-A339 PolarHBondContact O-N 3.46Å; R336-L340 HydrophobicContact CG-CD1 3.75Å; R336-L340 HydrophobicContact CG-CG 4.22Å; R336-L340 WeakPolarHBondContact O-CB 3.48Å; R336-L340 VanDerWaalsContact O-CG 3.26Å; R336-L340 WeakPolarHBondContact O-CG 3.46Å; R336-L340 PolarHBondContact O-N 2.92Å
337N89.9Confident82.9Confident99 Ų9965.6 Ų65.653%0.52933%0.326SS..Hα-helixtrans-60.2-41.9178.4-71.3-17.5000111.7E333 F334 L340 K341E333-N337 VanDerWaalsContact O-CB 3.3Å; E333-N337 WeakPolarHBondContact O-CB 3.45Å; E333-N337 PolarHBondContact O-N 3.37Å; E333-N337 PolarHBondContact O-ND2 3.43Å; F334-N337 PolarHBondContact O-N 3.27Å; N337-L340 PolarHBondContact O-N 2.94Å; N337-K341 VanDerWaalsContact O-CG 3.32Å; N337-K341 WeakPolarHBondContact O-CG 3.31Å; N337-K341 PolarHBondContact O-N 3.37Å
338L90.5Very high84.3Confident7 Ų769.1 Ų69.14%0.03733%0.325CS..Hα-helixtrans-65.1-40.3176.5-172.267.8000112.5F334 G335 R336 L343 L352 E401 L404 I405F334-L338 WeakPolarHBondContact O-CB 3.29Å; F334-L338 PolarHBondContact O-N 3.01Å; G335-L338 PolarHBondContact O-N 2.74Å; R336-L338 VanDerWaalsContact C-N 3.31Å; R336-L338 PolarHBondContact O-N 2.81Å; L338-L343 HydrophobicContact CD1-CD1 4.07Å; L338-L352 HydrophobicContact CB-CD1 4.22Å; L338-L352 HydrophobicContact CD2-CD1 3.8Å; L338-L352 HydrophobicContact CG-CD1 3.85Å; L338-E401 HydrophobicContact CD1-CG 3.79Å; L338-L404 HydrophobicContact CD2-CD2 3.48Å; L338-L404 VanDerWaalsContact CD2-CD2 3.48Å; L338-L404 HydrophobicContact CD2-CG 4.34Å; L338-I405 HydrophobicContact CD1-CD1 4.48Å
339A91Very high85.6Confident11 Ų1166.7 Ų66.79%0.09131%0.305CS..Hα-helixtrans-65.6-44.8176.700000111.9F249 G335 R336 K341 R342 L352F249-A339 HydrophobicContact CB-CB 3.96Å; F249-A339 HydrophobicContact CD2-CB 3.85Å; F249-A339 HydrophobicContact CG-CB 4.26Å; G335-A339 WeakPolarHBondContact O-CB 3.45Å; G335-A339 PolarHBondContact O-N 2.88Å; R336-A339 PolarHBondContact O-N 3.46Å; A339-K341 VanDerWaalsContact C-N 3.32Å; A339-K341 PolarHBondContact O-N 2.88Å; A339-R342 PolarHBondContact O-N 3.37Å; A339-R342 VanDerWaalsContact O-N 3.11Å; A339-L352 HydrophobicContact CB-CB 4Å; A339-L352 HydrophobicContact CB-CD1 4.17Å
340L89.2Confident86.7Confident57 Ų5766 Ų6630%0.29830%0.301SS..Hα-helixtrans-71.4-23.4-179.1-65179.1000113.4D209 R336 N337 R342D209-L340 HydrophobicContact CB-CD2 3.61Å; R336-L340 HydrophobicContact CG-CD1 3.75Å; R336-L340 HydrophobicContact CG-CG 4.22Å; R336-L340 WeakPolarHBondContact O-CB 3.48Å; R336-L340 VanDerWaalsContact O-CG 3.26Å; R336-L340 WeakPolarHBondContact O-CG 3.46Å; R336-L340 PolarHBondContact O-N 2.92Å; N337-L340 PolarHBondContact O-N 2.94Å; L340-R342 PolarHBondContact O-N 3.43Å
341K89.5Confident87.2Confident110 Ų11056.9 Ų56.948%0.47827%0.267SS..THydrogen-bonded Turntrans-61.4-20.5168.8-82.8177.9172-165.50113.6N337 A339 L343 E401N337-K341 VanDerWaalsContact O-CG 3.32Å; N337-K341 WeakPolarHBondContact O-CG 3.31Å; N337-K341 PolarHBondContact O-N 3.37Å; A339-K341 VanDerWaalsContact C-N 3.32Å; A339-K341 PolarHBondContact O-N 2.88Å; K341-L343 VanDerWaalsContact C-N 3.29Å; K341-L343 HydrophobicContact CB-CG 4.33Å; K341-L343 PolarHBondContact O-N 3.31Å; K341-E401 IonicContact NZ-OE1 3.55Å; K341-E401 PolarHBondContact NZ-OE1 3.44Å; K341-E401 IonicContact NZ-OE2 2.79Å; K341-E401 PolarHBondContact NZ-OE2 3.44Å
342R85.4Confident87.8Confident56 Ų5656.6 Ų56.621%0.21126%0.264CS..THydrogen-bonded Turntrans48.245176.1-66.9-174.866.7119.612114.6Y213 E244 A339 L340 P344 I347Y213-R342 VanDerWaalsContact CZ-CD 3.42Å; E244-R342 IonicContact OE1-CZ 2.65Å; E244-R342 IonicContact OE1-NH1 3.84Å; E244-R342 IonicContact OE1-NH2 2.88Å; E244-R342 PolarHBondContact OE1-NH2 3.07Å; E244-R342 IonicContact OE2-CZ 2.71Å; E244-R342 IonicContact OE2-NH1 3.58Å; E244-R342 PolarHBondContact OE2-NH1 3.18Å; E244-R342 IonicContact OE2-NH2 3.22Å; E244-R342 PolarHBondContact OE2-NH2 2.82Å; A339-R342 PolarHBondContact O-N 3.37Å; A339-R342 VanDerWaalsContact O-N 3.11Å; L340-R342 PolarHBondContact O-N 3.43Å; R342-P344 WeakPolarHBondContact O-CD 3.12Å; R342-I347 HydrophobicContact CB-CD1 4.41Å; R342-I347 HydrophobicContact CB-CG2 4.16Å; R342-I347 HydrophobicContact CG-CG2 4.49Å
343L88.1Confident88.1Confident50 Ų5055.4 Ų55.426%0.26226%0.258SS..  trans-55.8122-179.9-64.2173.7000110.9L338 K341 H345 V346 I347 I405L338-L343 HydrophobicContact CD1-CD1 4.07Å; K341-L343 VanDerWaalsContact C-N 3.29Å; K341-L343 HydrophobicContact CB-CG 4.33Å; K341-L343 PolarHBondContact O-N 3.31Å; L343-H345 VanDerWaalsContact C-N 3.34Å; L343-H345 PolarHBondContact O-N 2.84Å; L343-H345 VanDerWaalsContact O-N 3.16Å; L343-V346 HydrophobicContact CB-CB 4.08Å; L343-V346 HydrophobicContact CB-CG2 3.89Å; L343-V346 HydrophobicContact CD1-CG2 4.2Å; L343-V346 WeakPolarHBondContact O-CA 3.28Å; L343-V346 PolarHBondContact O-N 3.38Å; L343-I347 PolarHBondContact O-N 2.88Å; L343-I405 HydrophobicContact CD1-CD1 3.44Å; L343-I405 VanDerWaalsContact CD1-CD1 3.44Å; L343-I405 HydrophobicContact CD1-CG1 4.15Å
344P82Confident88.4Confident94 Ų9452.5 Ų52.561%0.6124%0.243SC*.Hα-helixtrans-53.1-42.7-168.7-31.535.1000115.1R342 V346 R348R342-P344 WeakPolarHBondContact O-CD 3.12Å; P344-V346 VanDerWaalsContact C-N 3.35Å; P344-R348 WeakPolarHBondContact O-CB 3.48Å; P344-R348 PolarHBondContact O-N 3.39Å
345H82.1Confident88.5Confident124 Ų12450.7 Ų50.757%0.57424%0.235SC*.Hα-helixtrans-73.7-26178.6-62.6-63.3000113.2L343 Y349 M409L343-H345 VanDerWaalsContact C-N 3.34Å; L343-H345 PolarHBondContact O-N 2.84Å; L343-H345 VanDerWaalsContact O-N 3.16Å; H345-Y349 WeakPolarHBondContact O-CD2 3.24Å; H345-M409 HydrophobicContact CB-SD 4.36Å
346V87.4Confident88.5Confident7 Ų752.5 Ų52.54%0.04225%0.245CC..Hα-helixtrans-78.1-56177.2-179.90000109.4L343 P344 R348 Y349 F350 L352 I405 L408L343-V346 HydrophobicContact CB-CB 4.08Å; L343-V346 HydrophobicContact CB-CG2 3.89Å; L343-V346 HydrophobicContact CD1-CG2 4.2Å; L343-V346 WeakPolarHBondContact O-CA 3.28Å; L343-V346 PolarHBondContact O-N 3.38Å; P344-V346 VanDerWaalsContact C-N 3.35Å; V346-R348 PolarHBondContact O-N 2.77Å; V346-R348 VanDerWaalsContact O-N 3.1Å; V346-Y349 PolarHBondContact O-N 3.42Å; V346-F350 HydrophobicContact CG1-CB 4.15Å; V346-F350 WeakPolarHBondContact O-CA 3.29Å; V346-F350 WeakPolarHBondContact O-CB 3.5Å; V346-F350 PolarHBondContact O-N 3.32Å; V346-L352 HydrophobicContact CG1-CD1 4.41Å; V346-L352 HydrophobicContact CG1-CG 4.47Å; V346-I405 HydrophobicContact CG2-CG1 4.46Å; V346-L408 HydrophobicContact CG1-CD1 3.95Å; V346-L408 HydrophobicContact CG2-CD1 4.42Å
347I84.8Confident88.4Confident59 Ų5947.4 Ų47.430%0.30323%0.228SC..Hα-helixtrans-62.1-25.7-175.664.1170.7000113.2R312 R342 L343R312-I347 WeakPolarHBondContact CD-O 3.42Å; R342-I347 HydrophobicContact CB-CD1 4.41Å; R342-I347 HydrophobicContact CB-CG2 4.16Å; R342-I347 HydrophobicContact CG-CG2 4.49Å; L343-I347 PolarHBondContact O-N 2.88Å
348R81.1Confident88.4Confident163 Ų16344 Ų4462%0.61521%0.209SC*.Hα-helixtrans-69.2-34.3178-178.3173.6178.7172.2-0.2112.7P344 V346P344-R348 WeakPolarHBondContact O-CB 3.48Å; P344-R348 PolarHBondContact O-N 3.39Å; V346-R348 PolarHBondContact O-N 2.77Å; V346-R348 VanDerWaalsContact O-N 3.1Å
349Y85.6Confident88.4Confident32 Ų3249.3 Ų49.313%0.12523%0.234CC..Hα-helixtrans-118.4-13.9-172.8-58.3-59.4000113.8R312 L313 H345 V346R312-Y349 CarbonylContact C-O 3.53Å; R312-Y349 VanDerWaalsContact CA-O 3.24Å; R312-Y349 WeakPolarHBondContact CA-O 3.45Å; R312-Y349 WeakPolarHBondContact CB-O 3.19Å; L313-Y349 PolarHBondContact N-O 2.81Å; H345-Y349 WeakPolarHBondContact O-CD2 3.24Å; V346-Y349 PolarHBondContact O-N 3.42Å
350F90.4Very high88.4Confident3 Ų351.1 Ų51.11%0.01324%0.242CC..EExtended strand (participates in β ladder)trans-134.5139.5-174.7-58.8-85.2000111L313 V346 V376 L408 N412L313-F350 HydrophobicContact CB-CD1 3.78Å; L313-F350 HydrophobicContact CB-CE1 3.88Å; L313-F350 HydrophobicContact CD1-CE1 3.82Å; L313-F350 HydrophobicContact CD1-CZ 4.42Å; L313-F350 HydrophobicContact CG-CE1 4.34Å; L313-F350 CarbonylContact O-C 3.52Å; L313-F350 VanDerWaalsContact O-CA 3.24Å; L313-F350 WeakPolarHBondContact O-CA 3.45Å; V346-F350 HydrophobicContact CG1-CB 4.15Å; V346-F350 WeakPolarHBondContact O-CA 3.29Å; V346-F350 WeakPolarHBondContact O-CB 3.5Å; V346-F350 PolarHBondContact O-N 3.32Å; F350-V376 HydrophobicContact CD1-CG1 4.25Å; F350-V376 HydrophobicContact CE1-CG1 3.97Å; F350-L408 HydrophobicContact CD1-CD2 3.78Å; F350-L408 HydrophobicContact CD2-CB 4.25Å; F350-L408 HydrophobicContact CD2-CD1 4.49Å; F350-L408 HydrophobicContact CE1-CB 4.42Å; F350-L408 HydrophobicContact CE1-CD2 3.79Å; F350-L408 HydrophobicContact CE2-CB 3.85Å; F350-L408 HydrophobicContact CG-CD2 4.16Å; F350-L408 HydrophobicContact CZ-CB 3.96Å; F350-L408 HydrophobicContact CZ-CD2 4.19Å; F350-L408 WeakPolarHBondContact CZ-O 3.17Å; F350-N412 HydrophobicContact CE2-CB 4.16Å; F350-N412 HydrophobicContact CZ-CB 4.05Å
351Q90.2Very high88.5Confident14 Ų1448.4 Ų48.47%0.06523%0.228CC..EExtended strand (participates in β ladder)trans-106.3118.3162.5175.96257.700107.5G248 F260 R312 L313 L314 G315G248-Q351 PolarHBondContact O-NE2 3.27Å; F260-Q351 HydrophobicContact CD1-CG 4.21Å; F260-Q351 HydrophobicContact CE1-CG 3.91Å; R312-Q351 VanDerWaalsContact CZ-OE1 3.27Å; L313-Q351 PolarHBondContact O-N 2.86Å; L314-Q351 CarbonylContact C-O 3.59Å; L314-Q351 WeakPolarHBondContact CA-O 3.21Å; L314-Q351 HydrophobicContact CD2-CB 3.98Å; L314-Q351 HydrophobicContact CD2-CG 4.26Å; G315-Q351 PolarHBondContact N-O 2.84Å
352L93.7Very high88.6Confident7 Ų745.2 Ų45.24%0.03722%0.215CC..EExtended strand (participates in β ladder)trans-83.7139175.5-59.9-175.6000109.5F249 G315 L338 A339 V346 F374F249-L352 HydrophobicContact CD2-CB 4.12Å; F249-L352 HydrophobicContact CE2-CB 4.28Å; G315-L352 WeakPolarHBondContact O-CA 3.3Å; L338-L352 HydrophobicContact CB-CD1 4.22Å; L338-L352 HydrophobicContact CD2-CD1 3.8Å; L338-L352 HydrophobicContact CG-CD1 3.85Å; A339-L352 HydrophobicContact CB-CB 4Å; A339-L352 HydrophobicContact CB-CD1 4.17Å; V346-L352 HydrophobicContact CG1-CD1 4.41Å; V346-L352 HydrophobicContact CG1-CG 4.47Å; L352-F374 HydrophobicContact CD2-CE2 4.27Å; L352-F374 HydrophobicContact CD2-CZ 4.15Å
353A93.2Very high88.9Confident0 Ų044.4 Ų44.40%021%0.214CC..EExtended strand (participates in β ladder)trans-157.7175.6-178.900000109.4P250 L252 G315 L316 F317P250-A353 HydrophobicContact CG-CB 4.18Å; P250-A353 WeakPolarHBondContact O-CA 3.36Å; P250-A353 VanDerWaalsContact O-CB 3.28Å; P250-A353 WeakPolarHBondContact O-CB 3.25Å; L252-A353 HydrophobicContact CD1-CB 3.46Å; L252-A353 VanDerWaalsContact CD1-CB 3.46Å; L252-A353 HydrophobicContact CG-CB 3.76Å; G315-A353 PolarHBondContact O-N 2.97Å; G315-A353 VanDerWaalsContact O-O 3.06Å; L316-A353 CarbonylContact C-O 3.6Å; L316-A353 WeakPolarHBondContact CA-O 3.23Å; L316-A353 HydrophobicContact CD2-CB 3.98Å; F317-A353 PolarHBondContact N-O 3.48Å
354W92.9Very high89Confident35 Ų3542.3 Ų42.313%0.13320%0.204CC..EExtended strand (participates in β ladder)trans-129.5160.2173.868.5-82.4000111.5F249 P250 K251 L252 F317 I319 E324 L332F249-W354 AromaticContact CD1-CD1 3.76Å; F249-W354 HydrophobicContact CE1-CB 3.98Å; F249-W354 AromaticContact CE1-CD1 3.57Å; F249-W354 HydrophobicContact CE1-CG 4.03Å; F249-W354 HydrophobicContact CZ-CB 3.82Å; F249-W354 HydrophobicContact CZ-CG 4.36Å; P250-W354 PolarHBondContact O-N 3.38Å; K251-W354 CarbonylContact C-O 3.54Å; K251-W354 WeakPolarHBondContact CA-O 3.48Å; K251-W354 HydrophobicContact CB-CD2 4.12Å; K251-W354 VanDerWaalsContact CB-CE2 3.49Å; K251-W354 HydrophobicContact CB-CH2 4.11Å; K251-W354 HydrophobicContact CB-CZ2 3.5Å; K251-W354 HydrophobicContact CD-CH2 3.35Å; K251-W354 HydrophobicContact CD-CZ2 3.63Å; K251-W354 HydrophobicContact CD-CZ3 3.82Å; K251-W354 VanDerWaalsContact CE-CH2 3.47Å; K251-W354 HydrophobicContact CG-CD2 4Å; K251-W354 HydrophobicContact CG-CE3 4Å; K251-W354 HydrophobicContact CG-CH2 3.63Å; K251-W354 HydrophobicContact CG-CZ2 3.58Å; K251-W354 HydrophobicContact CG-CZ3 3.82Å; L252-W354 PolarHBondContact N-O 2.99Å; F317-W354 HydrophobicContact CB-CB 4.07Å; F317-W354 CarbonylContact O-C 3.48Å; F317-W354 WeakPolarHBondContact O-CA 3.29Å; F317-W354 WeakPolarHBondContact O-CB 3.32Å; I319-W354 HydrophobicContact CD1-CE3 3.85Å; I319-W354 HydrophobicContact CD1-CZ3 3.81Å; I319-W354 HydrophobicContact CG1-CE3 3.95Å; I319-W354 HydrophobicContact CG1-CZ3 4.23Å; E324-W354 HydrophobicContact CG-CH2 4.04Å; E324-W354 HydrophobicContact CG-CZ3 4.31Å; E324-W354 WeakPolarHBondContact OE1-CH2 3.44Å; L332-W354 HydrophobicContact CD2-CB 3.55Å; L332-W354 HydrophobicContact CD2-CD2 3.92Å; L332-W354 HydrophobicContact CD2-CE3 4.17Å; L332-W354 HydrophobicContact CD2-CG 3.68Å
355T91.7Very high89.5Confident0 Ų038 Ų380%018%0.176CC..EExtended strand (participates in β ladder)trans-151.1151.6-179.6-170.50000111.2L252 L316 F317 V318 I319 D357 L361L252-T355 WeakPolarHBondContact O-CB 3.46Å; L252-T355 PolarHBondContact O-OG1 3.35Å; L316-T355 HydrophobicContact CB-CG2 4.22Å; L316-T355 HydrophobicContact CD1-CG2 4.33Å; F317-T355 PolarHBondContact O-N 2.97Å; V318-T355 HydrophobicContact CG2-CG2 4.18Å; I319-T355 PolarHBondContact N-O 3.4Å; I319-T355 VanDerWaalsContact N-O 3.08Å; T355-D357 WeakPolarHBondContact OG1-CB 3.24Å; T355-D357 PolarHBondContact OG1-N 3.3Å; T355-L361 HydrophobicContact CG2-CD1 3.76Å
356N89.1Confident89.9Confident38 Ų3834.2 Ų34.220%0.20316%0.159CC..  trans-111.87.216766-3.5000111.7K251 I319 Q321 E324 I358K251-N356 WeakPolarHBondContact CE-ND2 3.07Å; K251-N356 WeakPolarHBondContact CE-OD1 3.19Å; K251-N356 PolarHBondContact NZ-ND2 3.07Å; I319-N356 WeakPolarHBondContact O-CA 3.49Å; Q321-N356 HydrophobicContact CB-CB 4.46Å; E324-N356 PolarHBondContact OE2-ND2 2.99Å; N356-I358 PolarHBondContact O-N 2.83Å
357D89.7Confident90.1Very high29 Ų2937.8 Ų37.816%0.15517%0.174CC..  trans-83.264.2-178.4-165.4-9.2000111.3H254 T355 N360 L361H254-D357 WeakPolarHBondContact CB-OD2 3.29Å; H254-D357 PolarHBondContact N-OD2 3.34Å; T355-D357 WeakPolarHBondContact OG1-CB 3.24Å; T355-D357 PolarHBondContact OG1-N 3.3Å; D357-N360 WeakPolarHBondContact OD1-CB 3.41Å; D357-N360 PolarHBondContact OD1-N 3.08Å; D357-N360 PolarHBondContact OD1-ND2 3.37Å; D357-N360 PolarHBondContact OD2-ND2 3.22Å; D357-L361 WeakPolarHBondContact O-CG 3.32Å; D357-L361 PolarHBondContact O-N 3.34Å
358I89.8Confident90.2Very high27 Ų2740.2 Ų40.214%0.13819%0.192CC..Hα-helixtrans-67.2-42.3-173.8-59.8145.8000110.4V318 N356 N360 L361 E362 I371V318-I358 HydrophobicContact CG1-CG1 3.87Å; N356-I358 PolarHBondContact O-N 2.83Å; I358-N360 VanDerWaalsContact C-N 3.31Å; I358-N360 PolarHBondContact O-N 3.36Å; I358-L361 WeakPolarHBondContact O-CB 3.49Å; I358-L361 PolarHBondContact O-N 3.21Å; I358-E362 HydrophobicContact CG2-CG 4.01Å; I358-E362 WeakPolarHBondContact O-CG 3.47Å; I358-E362 PolarHBondContact O-N 3.09Å; I358-I371 HydrophobicContact CB-CD1 4.28Å; I358-I371 HydrophobicContact CD1-CD1 3.2Å; I358-I371 HydrophobicContact CG1-CD1 3.46Å; I358-I371 VanDerWaalsContact CG1-CD1 3.46Å; I358-I371 HydrophobicContact CG1-CG1 4.48Å; I358-I371 HydrophobicContact CG2-CD1 3.85Å
359E89.6Confident90.5Very high120 Ų12033 Ų3356%0.56117%0.165SC*.Hα-helixtrans-58.4-43.7-176.4-62.4-163.9141.300111.4L361 E362 N363 K441E359-L361 PolarHBondContact O-N 3.42Å; E359-E362 PolarHBondContact O-N 2.82Å; E359-N363 WeakPolarHBondContact O-CB 3.25Å; E359-N363 PolarHBondContact O-N 3.04Å; E359-N363 PolarHBondContact O-ND2 3.45Å; E359-N363 VanDerWaalsContact O-ND2 3.12Å; E359-N363 PolarHBondContact O-OD1 3.02Å; E359-K441 IonicContact OE1-NZ 3.44Å; E359-K441 PolarHBondContact OE1-NZ 3.5Å
360N90.2Very high90.4Very high48 Ų4836.8 Ų36.826%0.25719%0.192SC..Hα-helixtrans-67.3-36.2177.5-74.8-47.3000112.2H254 W257 D357 I358 L364H254-N360 HydrophobicContact CB-CB 3.92Å; H254-N360 VanDerWaalsContact CB-ND2 3.35Å; H254-N360 WeakPolarHBondContact CB-ND2 3.36Å; W257-N360 HydrophobicContact CH2-CB 4.07Å; W257-N360 HydrophobicContact CZ3-CB 4.42Å; D357-N360 WeakPolarHBondContact OD1-CB 3.41Å; D357-N360 PolarHBondContact OD1-N 3.08Å; D357-N360 PolarHBondContact OD1-ND2 3.37Å; D357-N360 PolarHBondContact OD2-ND2 3.22Å; I358-N360 VanDerWaalsContact C-N 3.31Å; I358-N360 PolarHBondContact O-N 3.36Å; N360-L364 WeakPolarHBondContact O-CB 3.48Å; N360-L364 VanDerWaalsContact O-CG 3.28Å; N360-L364 WeakPolarHBondContact O-CG 3.34Å; N360-L364 PolarHBondContact O-N 3.36Å
361L91.4Very high90Very high0 Ų039.1 Ų39.10%020%0.204CC..Hα-helixtrans-66.5-42.6174.8-68.6171.6000112.2W257 L316 V318 T355 D357 I358 E359 L364 A365 I369 I375 L384W257-L361 HydrophobicContact CH2-CD2 3.52Å; W257-L361 HydrophobicContact CH2-CG 3.81Å; W257-L361 HydrophobicContact CZ2-CD2 3.89Å; W257-L361 HydrophobicContact CZ2-CG 4.14Å; W257-L361 HydrophobicContact CZ3-CD2 4.26Å; L316-L361 HydrophobicContact CD1-CD2 4.17Å; V318-L361 HydrophobicContact CB-CD1 4.46Å; V318-L361 HydrophobicContact CG1-CD1 4.02Å; V318-L361 HydrophobicContact CG2-CD1 3.55Å; T355-L361 HydrophobicContact CG2-CD1 3.76Å; D357-L361 WeakPolarHBondContact O-CG 3.32Å; D357-L361 PolarHBondContact O-N 3.34Å; I358-L361 WeakPolarHBondContact O-CB 3.49Å; I358-L361 PolarHBondContact O-N 3.21Å; E359-L361 PolarHBondContact O-N 3.42Å; L361-L364 PolarHBondContact O-N 3.47Å; L361-A365 WeakPolarHBondContact O-CB 3.46Å; L361-A365 PolarHBondContact O-N 3.01Å; L361-I369 HydrophobicContact CB-CD1 3.71Å; L361-I375 HydrophobicContact CD1-CD1 4.38Å; L361-L384 HydrophobicContact CD2-CD2 3.85Å; L361-L384 WeakPolarHBondContact O-CD1 3.31Å
362E92.3Very high89.7Confident43 Ų4339.8 Ų39.820%0.20121%0.209CC..Hα-helixtrans-64.5-40.6176.5-71.1-170.2150.300111.8I358 E359 A365 M366 K367 T368 I369I358-E362 HydrophobicContact CG2-CG 4.01Å; I358-E362 WeakPolarHBondContact O-CG 3.47Å; I358-E362 PolarHBondContact O-N 3.09Å; E359-E362 PolarHBondContact O-N 2.82Å; E362-A365 CarbonylContact O-C 3.54Å; E362-A365 PolarHBondContact O-N 2.88Å; E362-M366 WeakPolarHBondContact O-CA 3.38Å; E362-M366 PolarHBondContact O-N 3.44Å; E362-K367 WeakPolarHBondContact CA-O 3.31Å; E362-K367 WeakPolarHBondContact CB-O 3.36Å; E362-K367 WeakPolarHBondContact CG-O 3.26Å; E362-K367 PolarHBondContact O-N 3.12Å; E362-T368 VanDerWaalsContact OE1-CA 3.28Å; E362-T368 WeakPolarHBondContact OE1-CA 3.46Å; E362-I369 HydrophobicContact CG-CB 4.04Å; E362-I369 HydrophobicContact CG-CD1 3.92Å; E362-I369 HydrophobicContact CG-CG1 3.94Å; E362-I369 PolarHBondContact OE1-N 3.4Å
363N92.1Very high89.3Confident39 Ų3939.9 Ų39.921%0.20921%0.21CC..Hα-helixtrans-62.7-42.3174.4-68.6-21.6000111.4E359 M366 R430 N434E359-N363 WeakPolarHBondContact O-CB 3.25Å; E359-N363 PolarHBondContact O-N 3.04Å; E359-N363 PolarHBondContact O-ND2 3.45Å; E359-N363 VanDerWaalsContact O-ND2 3.12Å; E359-N363 PolarHBondContact O-OD1 3.02Å; N363-M366 PolarHBondContact O-N 2.91Å; N363-R430 WeakPolarHBondContact O-CD 3.25Å; N363-R430 WeakPolarHBondContact O-CG 3.15Å; N363-R430 PolarHBondContact O-NE 3.18Å; N363-N434 WeakPolarHBondContact CB-OD1 3.26Å; N363-N434 VanDerWaalsContact CG-OD1 3.32Å; N363-N434 PolarHBondContact OD1-OD1 3.27Å
364L90.9Very high89.1Confident7 Ų739.9 Ų39.94%0.03721%0.21CC..Hα-helixtrans-65.7-41.9176.3-75.2-175000112.2W257 N360 L361 M366 L377 Y382 L384 G420 R430W257-L364 HydrophobicContact CE3-CD1 4.33Å; W257-L364 HydrophobicContact CZ3-CD1 3.63Å; N360-L364 WeakPolarHBondContact O-CB 3.48Å; N360-L364 VanDerWaalsContact O-CG 3.28Å; N360-L364 WeakPolarHBondContact O-CG 3.34Å; N360-L364 PolarHBondContact O-N 3.36Å; L361-L364 PolarHBondContact O-N 3.47Å; L364-M366 VanDerWaalsContact C-N 3.33Å; L364-L377 HydrophobicContact CD1-CD1 4.22Å; L364-Y382 HydrophobicContact CD1-CD1 4.04Å; L364-Y382 HydrophobicContact CD2-CD1 3.83Å; L364-Y382 HydrophobicContact CD2-CG 4.42Å; L364-L384 HydrophobicContact CB-CD1 3.44Å; L364-L384 VanDerWaalsContact CB-CD1 3.44Å; L364-L384 HydrophobicContact CB-CG 4.32Å; L364-L384 HydrophobicContact CD1-CD1 4.44Å; L364-G420 WeakPolarHBondContact O-CA 3.05Å; L364-R430 VanDerWaalsContact CD2-CZ 3.46Å
365A91.5Very high89.1Confident4 Ų438.2 Ų38.23%0.03320%0.204CC..Hα-helixtrans-77.1-18.7179.600000113.4L361 E362 K367 I369 L384 I386L361-A365 WeakPolarHBondContact O-CB 3.46Å; L361-A365 PolarHBondContact O-N 3.01Å; E362-A365 CarbonylContact O-C 3.54Å; E362-A365 PolarHBondContact O-N 2.88Å; A365-K367 HydrophobicContact CB-CG 3.94Å; A365-K367 PolarHBondContact O-N 2.94Å; A365-I369 HydrophobicContact CB-CD1 4.31Å; A365-L384 HydrophobicContact CB-CD1 3.81Å; A365-I386 HydrophobicContact CB-CD1 4.26Å
366M91.1Very high89.2Confident44 Ų4438.2 Ų38.222%0.21720%0.204CC..THydrogen-bonded Turntrans54.239.4-171.5-57.3175.7-66.800112.8E362 N363 L364 I426 Q429 R430 Y433E362-M366 WeakPolarHBondContact O-CA 3.38Å; E362-M366 PolarHBondContact O-N 3.44Å; N363-M366 PolarHBondContact O-N 2.91Å; L364-M366 VanDerWaalsContact C-N 3.33Å; M366-I426 HydrophobicContact CE-CG2 4.2Å; M366-Q429 HydrophobicContact CE-CB 4.37Å; M366-Q429 HydrophobicContact SD-CB 3.75Å; M366-R430 HydrophobicContact CG-CB 4.31Å; M366-R430 HydrophobicContact CG-CG 4.45Å; M366-R430 VanDerWaalsContact SD-CA 3.59Å; M366-R430 HydrophobicContact SD-CB 3.96Å; M366-R430 PolarHBondContact SD-N 3.4Å; M366-R430 VanDerWaalsContact SD-N 3.39Å; M366-Y433 HydrophobicContact CB-CD1 4.2Å; M366-Y433 HydrophobicContact CB-CD2 4.05Å; M366-Y433 HydrophobicContact CB-CE2 4.38Å; M366-Y433 HydrophobicContact CB-CG 3.94Å; M366-Y433 HydrophobicContact CG-CD1 4.28Å; M366-Y433 HydrophobicContact CG-CG 4.18Å; M366-Y433 VanDerWaalsContact O-CE2 3.3Å; M366-Y433 WeakPolarHBondContact O-CE2 3.47Å
367K90.7Very high89.4Confident81 Ų8136.4 Ų36.435%0.35219%0.194SC..SBendtrans-160.4165.7175.464.9176.4-174.9175.70110.8E362 A365 Y433E362-K367 WeakPolarHBondContact CA-O 3.31Å; E362-K367 WeakPolarHBondContact CB-O 3.36Å; E362-K367 WeakPolarHBondContact CG-O 3.26Å; E362-K367 PolarHBondContact O-N 3.12Å; A365-K367 HydrophobicContact CB-CG 3.94Å; A365-K367 PolarHBondContact O-N 2.94Å; K367-Y433 VanDerWaalsContact C-OH 3.29Å; K367-Y433 VanDerWaalsContact CA-OH 3.27Å; K367-Y433 WeakPolarHBondContact CA-OH 3.31Å; K367-Y433 PolarHBondContact N-OH 2.71Å
368T87.7Confident89.4Confident110 Ų11035 Ų3568%0.67519%0.187SC*.  trans-72.7142.1172.456.10000111.6E362E362-T368 VanDerWaalsContact OE1-CA 3.28Å; E362-T368 WeakPolarHBondContact OE1-CA 3.46Å
369I87Confident89.2Confident12 Ų1233.8 Ų33.86%0.06218%0.181CC..  trans-115.1122.5-178.8-66.8166.9000109L361 E362 A365 N373 I375L361-I369 HydrophobicContact CB-CD1 3.71Å; E362-I369 HydrophobicContact CG-CB 4.04Å; E362-I369 HydrophobicContact CG-CD1 3.92Å; E362-I369 HydrophobicContact CG-CG1 3.94Å; E362-I369 PolarHBondContact OE1-N 3.4Å; A365-I369 HydrophobicContact CB-CD1 4.31Å; I369-N373 HydrophobicContact CG2-CB 4.21Å; I369-I375 HydrophobicContact CD1-CD1 3.75Å; I369-I375 HydrophobicContact CG1-CD1 4.43Å; I369-I375 HydrophobicContact CG2-CD1 3.92Å
370T83.9Confident88.9Confident111 Ų11128.2 Ų28.268%0.68115%0.154SC*.  trans-74.4137.1174.454.60000110.6N373T370-N373 VanDerWaalsContact O-CB 3.25Å; T370-N373 WeakPolarHBondContact O-CB 3.32Å; T370-N373 PolarHBondContact O-ND2 3.23Å
371I82.3Confident88.6Confident52 Ų5226.2 Ų26.227%0.26714%0.144SC..SBendtrans-117.9146.8-175.6-62.5164000109.6V318 D320 I358V318-I371 HydrophobicContact CG1-CG1 4.27Å; D320-I371 HydrophobicContact CB-CG2 4.33Å; I358-I371 HydrophobicContact CB-CD1 4.28Å; I358-I371 HydrophobicContact CD1-CD1 3.2Å; I358-I371 HydrophobicContact CG1-CD1 3.46Å; I358-I371 VanDerWaalsContact CG1-CD1 3.46Å; I358-I371 HydrophobicContact CG1-CG1 4.48Å; I358-I371 HydrophobicContact CG2-CD1 3.85Å
372P81.9Confident88.5Confident28 Ų2828.5 Ų28.518%0.18215%0.153CC..SBendcis-68.6148.4-5.629.4-35.7000112.5V318 V331 Y395 F399V318-P372 WeakPolarHBondContact O-CA 3.44Å; V331-P372 HydrophobicContact CG1-CB 4.36Å; V331-P372 HydrophobicContact CG2-CB 3.88Å; V331-P372 HydrophobicContact CG2-CG 3.93Å; P372-Y395 HydrophobicContact CG-CE1 4.26Å; P372-F399 HydrophobicContact CG-CE2 4.47Å
373N86.2Confident88.4Confident9 Ų928.2 Ų28.25%0.04815%0.152CC..EExtended strand (participates in β ladder)trans-138.6165.7178.8-140.5-40.1000112.3V318 I369 T370 Y387V318-N373 HydrophobicContact CB-CB 4.31Å; V318-N373 PolarHBondContact N-O 3.3Å; V318-N373 PolarHBondContact O-N 3.32Å; V318-N373 VanDerWaalsContact O-N 3.07Å; I369-N373 HydrophobicContact CG2-CB 4.21Å; T370-N373 VanDerWaalsContact O-CB 3.25Å; T370-N373 WeakPolarHBondContact O-CB 3.32Å; T370-N373 PolarHBondContact O-ND2 3.23Å; N373-Y387 PolarHBondContact OD1-O 3.16Å
374F90.1Very high88.4Confident0 Ų026.3 Ų26.30%014%0.142CC..EExtended strand (participates in β ladder)trans-119.5132.2165.4-177.9-101.2000109.9L316 F317 L352 V376 Y387 F399 L404 F407 L408L316-F374 WeakPolarHBondContact O-CA 3.37Å; F317-F374 AromaticContact CD1-CD2 3.94Å; F317-F374 HydrophobicContact CD1-CD2 3.94Å; F317-F374 AromaticContact CD2-CD2 3.81Å; F317-F374 HydrophobicContact CD2-CD2 3.81Å; F317-F374 AromaticContact CD2-CE2 3.84Å; F317-F374 HydrophobicContact CD2-CE2 3.84Å; F317-F374 AromaticContact CE1-CD2 3.86Å; F317-F374 HydrophobicContact CE1-CD2 3.86Å; F317-F374 HydrophobicContact CE1-CE2 4.43Å; F317-F374 AromaticContact CE2-CD2 3.74Å; F317-F374 HydrophobicContact CE2-CD2 3.74Å; F317-F374 AromaticContact CE2-CE2 3.54Å; F317-F374 HydrophobicContact CE2-CE2 3.54Å; F317-F374 AromaticContact CG-CD2 3.93Å; F317-F374 HydrophobicContact CG-CD2 3.93Å; F317-F374 HydrophobicContact CG-CE2 4.43Å; F317-F374 AromaticContact CZ-CD2 3.77Å; F317-F374 HydrophobicContact CZ-CD2 3.77Å; F317-F374 AromaticContact CZ-CE2 3.87Å; F317-F374 HydrophobicContact CZ-CE2 3.87Å; L352-F374 HydrophobicContact CD2-CE2 4.27Å; L352-F374 HydrophobicContact CD2-CZ 4.15Å; F374-V376 HydrophobicContact CD1-CG2 4.48Å; F374-V376 HydrophobicContact CE1-CG2 3.58Å; F374-V376 HydrophobicContact CZ-CG2 4.04Å; F374-Y387 HydrophobicContact CB-CG 4.35Å; F374-Y387 WeakPolarHBondContact O-CB 3.2Å; F374-Y387 PolarHBondContact O-N 2.87Å; F374-F399 HydrophobicContact CB-CE1 4.24Å; F374-L404 HydrophobicContact CB-CD1 4.37Å; F374-L404 HydrophobicContact CD1-CD1 3.28Å; F374-L404 HydrophobicContact CD2-CD1 4.34Å; F374-L404 HydrophobicContact CE1-CD1 3.44Å; F374-L404 VanDerWaalsContact CE1-CD1 3.44Å; F374-L404 HydrophobicContact CE1-CG 4.34Å; F374-L404 HydrophobicContact CE2-CD1 4.48Å; F374-L404 HydrophobicContact CG-CD1 3.75Å; F374-L404 HydrophobicContact CZ-CD1 4.06Å; F374-F407 HydrophobicContact CD1-CD1 4.25Å; F374-F407 HydrophobicContact CD1-CE1 4.03Å; F374-F407 HydrophobicContact CE1-CD1 4.16Å; F374-F407 HydrophobicContact CE1-CE1 4.1Å; F374-L408 HydrophobicContact CE1-CD2 3.8Å; F374-L408 HydrophobicContact CZ-CD2 3.93Å
375I92.1Very high88.4Confident0 Ų026.6 Ų26.60%014%0.142CC..EExtended strand (participates in β ladder)trans-137.1129.2-178-55.2-178.4000108.9L316 V318 L361 I369 L384 I386L316-I375 WeakPolarHBondContact CA-O 3.48Å; L316-I375 WeakPolarHBondContact CB-O 3.3Å; L316-I375 PolarHBondContact N-O 3.12Å; L316-I375 PolarHBondContact O-N 3.26Å; V318-I375 HydrophobicContact CG2-CB 4.42Å; V318-I375 HydrophobicContact CG2-CD1 3.9Å; V318-I375 HydrophobicContact CG2-CG1 4.01Å; L361-I375 HydrophobicContact CD1-CD1 4.38Å; I369-I375 HydrophobicContact CD1-CD1 3.75Å; I369-I375 HydrophobicContact CG1-CD1 4.43Å; I369-I375 HydrophobicContact CG2-CD1 3.92Å; I375-L384 HydrophobicContact CG2-CB 4.17Å; I375-L384 HydrophobicContact CG2-CD2 3.64Å; I375-L384 HydrophobicContact CG2-CG 4.46Å; I375-I386 HydrophobicContact CD1-CG1 4.2Å; I375-I386 HydrophobicContact CG1-CG1 4.27Å; I375-I386 HydrophobicContact CG2-CG1 4.22Å
376V93.6Very high88.3Confident0 Ų027.3 Ų27.30%015%0.145CC..EExtended strand (participates in β ladder)trans-90.8127.7168.2178.30000108.8L313 L314 F350 F374 L384 Y385 F407 L408 I411L313-V376 HydrophobicContact CB-CG1 3.71Å; L313-V376 HydrophobicContact CD1-CG1 4.06Å; L313-V376 HydrophobicContact CG-CG1 4.5Å; L314-V376 CarbonylContact O-C 3.56Å; L314-V376 VanDerWaalsContact O-CA 3.26Å; L314-V376 WeakPolarHBondContact O-CA 3.42Å; F350-V376 HydrophobicContact CD1-CG1 4.25Å; F350-V376 HydrophobicContact CE1-CG1 3.97Å; F374-V376 HydrophobicContact CD1-CG2 4.48Å; F374-V376 HydrophobicContact CE1-CG2 3.58Å; F374-V376 HydrophobicContact CZ-CG2 4.04Å; V376-L384 CarbonylContact O-C 3.46Å; V376-L384 WeakPolarHBondContact O-CA 3.32Å; V376-Y385 HydrophobicContact CB-CD2 4.14Å; V376-Y385 HydrophobicContact CG1-CD2 4.07Å; V376-Y385 PolarHBondContact N-O 3.17Å; V376-Y385 WeakPolarHBondContact O-CD2 3.44Å; V376-Y385 PolarHBondContact O-N 3.38Å; V376-F407 HydrophobicContact CG2-CE1 4Å; V376-L408 HydrophobicContact CG2-CD2 3.5Å; V376-L408 VanDerWaalsContact CG2-CD2 3.5Å; V376-I411 HydrophobicContact CB-CD1 3.78Å; V376-I411 HydrophobicContact CG1-CD1 4.24Å; V376-I411 HydrophobicContact CG1-CG2 4.48Å; V376-I411 HydrophobicContact CG2-CD1 3.61Å
377L93.2Very high87.9Confident0 Ų025.7 Ų25.70%014%0.137CC..EExtended strand (participates in β ladder)trans-110.1131.2176.3169.365000109.6W257 L314 L316 L364 P379 L384W257-L377 HydrophobicContact CB-CD2 4.06Å; W257-L377 HydrophobicContact CD2-CD2 3.32Å; W257-L377 HydrophobicContact CE3-CD2 3.31Å; W257-L377 HydrophobicContact CG-CD2 3.66Å; W257-L377 HydrophobicContact CZ3-CD2 3.96Å; L314-L377 HydrophobicContact CB-CB 4.34Å; L314-L377 HydrophobicContact CD1-CD2 4.38Å; L314-L377 PolarHBondContact N-O 3.16Å; L314-L377 PolarHBondContact O-N 3.33Å; L316-L377 HydrophobicContact CD1-CB 4.14Å; L316-L377 HydrophobicContact CD1-CD2 4.15Å; L364-L377 HydrophobicContact CD1-CD1 4.22Å; L377-P379 VanDerWaalsContact O-CD 3.29Å; L377-P379 WeakPolarHBondContact O-CD 3.46Å; L377-L384 HydrophobicContact CB-CD2 3.86Å; L377-L384 HydrophobicContact CD1-CD2 3.59Å; L377-L384 HydrophobicContact CD1-CG 4.23Å; L377-L384 HydrophobicContact CG-CD2 4.24Å
378N90.5Very high86.8Confident0 Ų026.9 Ų26.90%015%0.146CC..EExtended strand (participates in β ladder)trans-88.8105.4161.8-174.9-20.9000108.5Y311 L313 I380 T381 Y382 E383 Y385Y311-N378 WeakPolarHBondContact CE2-OD1 3.4Å; Y311-N378 PolarHBondContact OH-ND2 2.72Å; Y311-N378 PolarHBondContact OH-OD1 3.23Å; L313-N378 HydrophobicContact CD2-CB 3.68Å; N378-I380 PolarHBondContact O-N 3.08Å; N378-I380 PolarHBondContact OD1-N 3.21Å; N378-T381 WeakPolarHBondContact CB-OG1 3.49Å; N378-T381 PolarHBondContact ND2-OG1 2.96Å; N378-T381 PolarHBondContact O-N 2.87Å; N378-T381 PolarHBondContact OD1-N 3.08Å; N378-Y382 WeakPolarHBondContact O-CA 3.24Å; N378-Y382 PolarHBondContact O-N 3.14Å; N378-E383 HydrophobicContact CB-CB 4.3Å; N378-E383 PolarHBondContact N-O 2.64Å; N378-Y385 HydrophobicContact CB-CE2 4.48Å
379P85.7Confident85.2Confident2 Ų223.2 Ų23.21%0.01313%0.125CC..THydrogen-bonded Turntrans-72.2-14.9-170.831.2-39000113.8W257 A261 L314 L377 Y382W257-P379 HydrophobicContact CB-CB 4.42Å; W257-P379 WeakPolarHBondContact O-CB 3.16Å; A261-P379 HydrophobicContact CB-CB 3.69Å; A261-P379 HydrophobicContact CB-CG 3.45Å; A261-P379 VanDerWaalsContact CB-CG 3.45Å; L314-P379 HydrophobicContact CD1-CB 4.19Å; L314-P379 HydrophobicContact CD1-CG 4.39Å; L314-P379 HydrophobicContact CG-CG 4.38Å; L377-P379 VanDerWaalsContact O-CD 3.29Å; L377-P379 WeakPolarHBondContact O-CD 3.46Å; P379-Y382 WeakPolarHBondContact O-CE2 3.48Å
380I82.6Confident83.4Confident2 Ų229.9 Ų29.91%0.0116%0.16CC..THydrogen-bonded Turntrans-84.5-50.4175.8-56.2179.9000111.2A261 L265 Y311 N378 Y382 N422 N560A261-I380 HydrophobicContact CB-CG1 4.25Å; L265-I380 HydrophobicContact CD1-CD1 3.43Å; L265-I380 VanDerWaalsContact CD1-CD1 3.43Å; L265-I380 HydrophobicContact CD1-CG1 3.78Å; L265-I380 HydrophobicContact CD2-CD1 3.58Å; L265-I380 HydrophobicContact CG-CD1 3.65Å; L265-I380 HydrophobicContact CG-CG1 4.37Å; Y311-I380 HydrophobicContact CD1-CD1 3.44Å; Y311-I380 VanDerWaalsContact CD1-CD1 3.44Å; Y311-I380 HydrophobicContact CD2-CD1 3.86Å; Y311-I380 HydrophobicContact CD2-CG1 4.26Å; Y311-I380 HydrophobicContact CE1-CD1 3.14Å; Y311-I380 HydrophobicContact CE1-CG1 4.29Å; Y311-I380 HydrophobicContact CE2-CD1 3.58Å; Y311-I380 HydrophobicContact CE2-CG1 3.89Å; Y311-I380 HydrophobicContact CG-CD1 3.8Å; N378-I380 PolarHBondContact O-N 3.08Å; N378-I380 PolarHBondContact OD1-N 3.21Å; I380-Y382 WeakPolarHBondContact O-CD2 3.31Å; I380-N422 PolarHBondContact O-ND2 2.82Å; I380-N560 HydrophobicContact CG2-CB 4.15Å
381T84.8Confident81.7Confident6 Ų632.3 Ų32.34%0.03716%0.164CC..THydrogen-bonded Turntrans-85.9-15.3-176.364.50000111.7N378 E383 G421 N422 Y553N378-T381 WeakPolarHBondContact CB-OG1 3.49Å; N378-T381 PolarHBondContact ND2-OG1 2.96Å; N378-T381 PolarHBondContact O-N 2.87Å; N378-T381 PolarHBondContact OD1-N 3.08Å; T381-E383 PolarHBondContact O-N 3.46Å; T381-E383 WeakPolarHBondContact OG1-CB 3.18Å; T381-E383 VanDerWaalsContact OG1-CG 3.28Å; T381-E383 WeakPolarHBondContact OG1-CG 3.41Å; T381-E383 PolarHBondContact OG1-N 2.99Å; T381-E383 PolarHBondContact OG1-OE2 2.82Å; T381-G421 CarbonylContact O-C 3.54Å; T381-G421 WeakPolarHBondContact O-CA 3.32Å; T381-N422 VanDerWaalsContact O-CB 3.25Å; T381-N422 WeakPolarHBondContact O-CB 3.48Å; T381-N422 PolarHBondContact O-N 3.48Å; T381-Y553 HydrophobicContact CG2-CE1 4.32Å
382Y88Confident80Confident48 Ų4832.2 Ų32.219%0.18816%0.161CC..THydrogen-bonded Turntrans56.531.9-172-63.7-107.9000112.2H254 L364 N378 P379 I380 G421 N422H254-Y382 AromaticContact CE1-CE1 3.99Å; L364-Y382 HydrophobicContact CD1-CD1 4.04Å; L364-Y382 HydrophobicContact CD2-CD1 3.83Å; L364-Y382 HydrophobicContact CD2-CG 4.42Å; N378-Y382 WeakPolarHBondContact O-CA 3.24Å; N378-Y382 PolarHBondContact O-N 3.14Å; P379-Y382 WeakPolarHBondContact O-CE2 3.48Å; I380-Y382 WeakPolarHBondContact O-CD2 3.31Å; Y382-G421 WeakPolarHBondContact O-CA 3.3Å; Y382-G421 PolarHBondContact O-N 3.03Å; Y382-N422 VanDerWaalsContact CD2-CG 3.41Å; Y382-N422 WeakPolarHBondContact CD2-ND2 3.38Å; Y382-N422 WeakPolarHBondContact CE2-ND2 3.49Å
383E90.1Very high78.3Confident37 Ų3736.6 Ų36.617%0.17319%0.192CC..EExtended strand (participates in β ladder)trans-84.8134.2170.4-69.1172.214400109.4N378 T381 Y385 I419 Y553N378-E383 HydrophobicContact CB-CB 4.3Å; N378-E383 PolarHBondContact N-O 2.64Å; T381-E383 PolarHBondContact O-N 3.46Å; T381-E383 WeakPolarHBondContact OG1-CB 3.18Å; T381-E383 VanDerWaalsContact OG1-CG 3.28Å; T381-E383 WeakPolarHBondContact OG1-CG 3.41Å; T381-E383 PolarHBondContact OG1-N 2.99Å; T381-E383 PolarHBondContact OG1-OE2 2.82Å; E383-Y385 HydrophobicContact CB-CE2 4.39Å; E383-I419 CarbonylContact C-O 3.6Å; E383-I419 WeakPolarHBondContact CA-O 3.03Å; E383-Y553 PolarHBondContact OE1-OH 2.92Å; E383-Y553 PolarHBondContact OE2-OH 3.02Å; E383-Y553 VanDerWaalsContact OE2-OH 3.09Å
384L92.5Very high76.5Confident0 Ų038.8 Ų38.80%021%0.208CC..EExtended strand (participates in β ladder)trans-112.3132.7179.6-68.5168000110.3L361 L364 A365 I375 V376 L377 G418 I419L361-L384 HydrophobicContact CD2-CD2 3.85Å; L361-L384 WeakPolarHBondContact O-CD1 3.31Å; L364-L384 HydrophobicContact CB-CD1 3.44Å; L364-L384 VanDerWaalsContact CB-CD1 3.44Å; L364-L384 HydrophobicContact CB-CG 4.32Å; L364-L384 HydrophobicContact CD1-CD1 4.44Å; A365-L384 HydrophobicContact CB-CD1 3.81Å; I375-L384 HydrophobicContact CG2-CB 4.17Å; I375-L384 HydrophobicContact CG2-CD2 3.64Å; I375-L384 HydrophobicContact CG2-CG 4.46Å; V376-L384 CarbonylContact O-C 3.46Å; V376-L384 WeakPolarHBondContact O-CA 3.32Å; L377-L384 HydrophobicContact CB-CD2 3.86Å; L377-L384 HydrophobicContact CD1-CD2 3.59Å; L377-L384 HydrophobicContact CD1-CG 4.23Å; L377-L384 HydrophobicContact CG-CD2 4.24Å; L384-G418 WeakPolarHBondContact O-CA 3.39Å; L384-I419 PolarHBondContact N-O 3.38Å; L384-I419 PolarHBondContact O-N 3.2Å
385Y92Very high74.6Confident13 Ų1347 Ų475%0.05124%0.24CC..EExtended strand (participates in β ladder)trans-112.9100.1172.9-47.8-96.2000107.1V376 N378 E383 I411 I416 G418V376-Y385 HydrophobicContact CB-CD2 4.14Å; V376-Y385 HydrophobicContact CG1-CD2 4.07Å; V376-Y385 PolarHBondContact N-O 3.17Å; V376-Y385 WeakPolarHBondContact O-CD2 3.44Å; V376-Y385 PolarHBondContact O-N 3.38Å; N378-Y385 HydrophobicContact CB-CE2 4.48Å; E383-Y385 HydrophobicContact CB-CE2 4.39Å; Y385-I411 HydrophobicContact CD1-CG1 4.1Å; Y385-I411 HydrophobicContact CD1-CG2 4.15Å; Y385-I411 HydrophobicContact CD2-CD1 4.46Å; Y385-I411 HydrophobicContact CD2-CG2 4.01Å; Y385-I411 HydrophobicContact CE1-CG2 4.17Å; Y385-I411 HydrophobicContact CE2-CG2 4.05Å; Y385-I411 HydrophobicContact CG-CD1 3.95Å; Y385-I411 HydrophobicContact CG-CG1 4.03Å; Y385-I411 HydrophobicContact CG-CG2 4.07Å; Y385-I416 HydrophobicContact CD1-CB 4.45Å; Y385-I416 HydrophobicContact CD1-CG2 4.02Å; Y385-I416 VanDerWaalsContact CE1-O 3.31Å; Y385-I416 WeakPolarHBondContact CE1-O 3.3Å; Y385-G418 VanDerWaalsContact CE1-CA 3.44Å; Y385-G418 VanDerWaalsContact CE1-N 3.26Å
386I87.5Confident72.6Confident19 Ų1952.1 Ų52.110%0.09727%0.272CS..EExtended strand (participates in β ladder)trans-80.3131.2-177.6-64169.8000108.2A365 I375 I388 I419A365-I386 HydrophobicContact CB-CD1 4.26Å; I375-I386 HydrophobicContact CD1-CG1 4.2Å; I375-I386 HydrophobicContact CG1-CG1 4.27Å; I375-I386 HydrophobicContact CG2-CG1 4.22Å; I386-I388 PolarHBondContact O-N 2.78Å; I386-I388 VanDerWaalsContact O-N 3.09Å; I386-I419 HydrophobicContact CD1-CD1 4.23Å
387Y83.6Confident70.6Confident9 Ų955.3 Ų55.34%0.03529%0.288CS..  trans-70.5104.3174.4-172.5-108.4000109.3N373 F374 S389 L398 N403 L404 F407N373-Y387 PolarHBondContact OD1-O 3.16Å; F374-Y387 HydrophobicContact CB-CG 4.35Å; F374-Y387 WeakPolarHBondContact O-CB 3.2Å; F374-Y387 PolarHBondContact O-N 2.87Å; Y387-S389 PolarHBondContact O-N 2.79Å; Y387-S389 VanDerWaalsContact O-N 3.16Å; Y387-L398 HydrophobicContact CD1-CD1 4.09Å; Y387-L398 HydrophobicContact CE1-CD1 4.03Å; Y387-L398 WeakPolarHBondContact CE1-O 3.42Å; Y387-L398 PolarHBondContact OH-O 2.69Å; Y387-N403 WeakPolarHBondContact OH-CB 3.34Å; Y387-L404 HydrophobicContact CD2-CD1 4.16Å; Y387-L404 HydrophobicContact CE2-CD1 4.07Å; Y387-F407 HydrophobicContact CD2-CB 3.9Å; Y387-F407 AromaticContact CD2-CD1 3.53Å; Y387-F407 HydrophobicContact CD2-CD1 3.53Å; Y387-F407 AromaticContact CD2-CD2 3.9Å; Y387-F407 HydrophobicContact CD2-CD2 3.9Å; Y387-F407 AromaticContact CD2-CE1 3.87Å; Y387-F407 HydrophobicContact CD2-CE1 3.87Å; Y387-F407 HydrophobicContact CD2-CE2 4.24Å; Y387-F407 AromaticContact CD2-CG 3.52Å; Y387-F407 HydrophobicContact CD2-CG 3.52Å; Y387-F407 HydrophobicContact CD2-CZ 4.2Å; Y387-F407 HydrophobicContact CE2-CB 3.76Å; Y387-F407 HydrophobicContact CE2-CD1 4.22Å; Y387-F407 HydrophobicContact CE2-CD2 4.46Å; Y387-F407 AromaticContact CE2-CG 3.93Å; Y387-F407 HydrophobicContact CE2-CG 3.93Å; Y387-F407 HydrophobicContact CG-CE1 4.47Å
388I66.8Low68.7Low107 Ų10755.7 Ų55.755%0.54929%0.29SS..  trans-82.1100.3-177.3-60.2172.7000108I386 N390I386-I388 PolarHBondContact O-N 2.78Å; I386-I388 VanDerWaalsContact O-N 3.09Å; I388-N390 HydrophobicContact CG2-CB 3.8Å; I388-N390 PolarHBondContact O-N 2.91Å; I388-N390 VanDerWaalsContact O-N 3.16Å
389S54.2Low67.6Low32 Ų3257 Ų5722%0.22430%0.296CS..G310 helixtrans-63.9-11.6174.9-169.70000113.8Y387 Q391 Y392 L398Y387-S389 PolarHBondContact O-N 2.79Å; Y387-S389 VanDerWaalsContact O-N 3.16Å; S389-Q391 CarbonylContact O-C 3.59Å; S389-Q391 PolarHBondContact O-N 3Å; S389-Y392 CarbonylContact O-C 3.13Å; S389-Y392 WeakPolarHBondContact O-CA 3.42Å; S389-Y392 WeakPolarHBondContact O-CB 3.28Å; S389-Y392 PolarHBondContact O-N 3.49Å; S389-L398 WeakPolarHBondContact OG-CD1 3.1Å
390N48.8Very low67.3Low152 Ų15260 Ų6081%0.81331%0.312SS*.G310 helixtrans-60.8-8.1-169.2-58.89000114.1I388 Y392I388-N390 HydrophobicContact CG2-CB 3.8Å; I388-N390 PolarHBondContact O-N 2.91Å; I388-N390 VanDerWaalsContact O-N 3.16Å; N390-Y392 VanDerWaalsContact C-N 3.27Å
391Q49.2Very low67.5Low163 Ų16362.4 Ų62.476%0.76232%0.323SS*.G310 helixtrans-80.3-4166.5-62.4-164.8-17.500114.2S389S389-Q391 CarbonylContact O-C 3.59Å; S389-Q391 PolarHBondContact O-N 3Å
392Y47.3Very low67.6Low50 Ų5067.5 Ų67.520%0.19635%0.35CS..  trans-135.3114.1-169.7-55.6-57.6000109.5S389 N390 S394 L397 N403S389-Y392 CarbonylContact O-C 3.13Å; S389-Y392 WeakPolarHBondContact O-CA 3.42Å; S389-Y392 WeakPolarHBondContact O-CB 3.28Å; S389-Y392 PolarHBondContact O-N 3.49Å; N390-Y392 VanDerWaalsContact C-N 3.27Å; Y392-S394 PolarHBondContact O-N 3.46Å; Y392-L397 HydrophobicContact CD1-CB 3.88Å; Y392-L397 HydrophobicContact CD1-CD1 4.43Å; Y392-L397 HydrophobicContact CG-CB 3.95Å; Y392-N403 WeakPolarHBondContact CE1-ND2 3.23Å; Y392-N403 HydrophobicContact CE2-CB 4.39Å; Y392-N403 WeakPolarHBondContact OH-CB 3.4Å; Y392-N403 PolarHBondContact OH-ND2 3.49Å; Y392-N403 PolarHBondContact OH-OD1 2.88Å
393S46.2Very low67.4Low120 Ų12066.9 Ų66.984%0.83935%0.35SS*.SBendtrans-72.9-11-179.243.80000114.2
394S47.6Very low67.4Low54 Ų5465.1 Ų65.138%0.37834%0.342SS..SBendtrans-135.7143.7-170.2-62.60000113Y392 T396 L397 L398Y392-S394 PolarHBondContact O-N 3.46Å; S394-T396 PolarHBondContact O-N 3.5Å; S394-L397 WeakPolarHBondContact O-CB 3.31Å; S394-L397 PolarHBondContact O-N 2.95Å; S394-L398 PolarHBondContact O-N 3.47Å; S394-L398 VanDerWaalsContact O-N 3.16Å
395Y50.5Low67.2Low174 Ų17467 Ų6768%0.68235%0.351SS*.Hα-helixtrans-54.7-33.3171.9-78.9-77.2000113.5P372 L397 L398P372-Y395 HydrophobicContact CG-CE1 4.26Å; Y395-L397 PolarHBondContact O-N 2.82Å; Y395-L398 HydrophobicContact CD1-CD2 4.01Å; Y395-L398 HydrophobicContact CE1-CD2 4.49Å; Y395-L398 VanDerWaalsContact O-CB 3.24Å; Y395-L398 WeakPolarHBondContact O-CB 3.35Å; Y395-L398 PolarHBondContact O-N 2.99Å
396T50.4Low67Low107 Ų10770.7 Ų70.766%0.65637%0.372SS*.Hα-helixtrans-64.1-25.9176.3480000112.8S394S394-T396 PolarHBondContact O-N 3.5Å
397L50.2Low67.1Low66 Ų6670.7 Ų70.735%0.34637%0.371SS..Hα-helixtrans-89.5-24.5175.4-66.8172.1000112.4Y392 S394 Y395 F399Y392-L397 HydrophobicContact CD1-CB 3.88Å; Y392-L397 HydrophobicContact CD1-CD1 4.43Å; Y392-L397 HydrophobicContact CG-CB 3.95Å; S394-L397 WeakPolarHBondContact O-CB 3.31Å; S394-L397 PolarHBondContact O-N 2.95Å; Y395-L397 PolarHBondContact O-N 2.82Å; L397-F399 VanDerWaalsContact C-N 3.28Å; L397-F399 PolarHBondContact O-N 2.88Å
398L55.2Low67.5Low8 Ų870.3 Ų70.34%0.04237%0.37CS..Hα-helixtrans-53.9-46.1176.9-174.874.4000110.7Y387 S389 S394 Y395Y387-L398 HydrophobicContact CD1-CD1 4.09Å; Y387-L398 HydrophobicContact CE1-CD1 4.03Å; Y387-L398 WeakPolarHBondContact CE1-O 3.42Å; Y387-L398 PolarHBondContact OH-O 2.69Å; S389-L398 WeakPolarHBondContact OG-CD1 3.1Å; S394-L398 PolarHBondContact O-N 3.47Å; S394-L398 VanDerWaalsContact O-N 3.16Å; Y395-L398 HydrophobicContact CD1-CD2 4.01Å; Y395-L398 HydrophobicContact CE1-CD2 4.49Å; Y395-L398 VanDerWaalsContact O-CB 3.24Å; Y395-L398 WeakPolarHBondContact O-CB 3.35Å; Y395-L398 PolarHBondContact O-N 2.99Å
399F67.2Low68.5Low29 Ų2967.7 Ų67.713%0.12736%0.356CS..THydrogen-bonded Turntrans-113.760.4-177.9-62.1-64.8000112.2F317 V331 F334 P372 F374 L397F317-F399 AromaticContact CD1-CE1 4Å; F317-F399 HydrophobicContact CD1-CE1 4Å; F317-F399 AromaticContact CE1-CD1 3.99Å; F317-F399 HydrophobicContact CE1-CD1 3.99Å; F317-F399 AromaticContact CE1-CE1 3.84Å; F317-F399 HydrophobicContact CE1-CE1 3.84Å; V331-F399 HydrophobicContact CB-CE2 4.04Å; V331-F399 HydrophobicContact CB-CZ 4.34Å; V331-F399 HydrophobicContact CG1-CD2 4.33Å; V331-F399 HydrophobicContact CG1-CE1 3.96Å; V331-F399 HydrophobicContact CG1-CE2 3.63Å; V331-F399 HydrophobicContact CG1-CZ 3.42Å; V331-F399 VanDerWaalsContact CG1-CZ 3.42Å; V331-F399 HydrophobicContact CG2-CD2 3.87Å; V331-F399 HydrophobicContact CG2-CE2 3.34Å; V331-F399 HydrophobicContact CG2-CZ 4.05Å; F334-F399 HydrophobicContact CD1-CB 3.75Å; F334-F399 AromaticContact CD1-CD1 3.93Å; F334-F399 HydrophobicContact CD1-CD1 3.93Å; F334-F399 HydrophobicContact CD1-CG 4.09Å; F334-F399 HydrophobicContact CD2-CB 4.27Å; F334-F399 HydrophobicContact CE1-CB 3.79Å; F334-F399 AromaticContact CE1-CD1 3.92Å; F334-F399 HydrophobicContact CE1-CD1 3.92Å; F334-F399 HydrophobicContact CE1-CG 4.27Å; F334-F399 HydrophobicContact CE2-CB 4.31Å; F334-F399 WeakPolarHBondContact CE2-O 3.49Å; F334-F399 HydrophobicContact CG-CB 3.99Å; F334-F399 HydrophobicContact CZ-CB 4.07Å; P372-F399 HydrophobicContact CG-CE2 4.47Å; F374-F399 HydrophobicContact CB-CE1 4.24Å; L397-F399 VanDerWaalsContact C-N 3.28Å; L397-F399 PolarHBondContact O-N 2.88Å
400N79.4Confident70.2Confident63 Ų6368.6 Ų68.634%0.33736%0.358SS..  trans-90.7129161.6-175.3-22.6000109N402 N403 L404N400-N402 VanDerWaalsContact C-N 3.3Å; N400-N402 PolarHBondContact O-N 3.07Å; N400-N402 PolarHBondContact OD1-N 2.9Å; N400-N402 VanDerWaalsContact OD1-N 3.07Å; N400-N403 HydrophobicContact CB-CB 4.24Å; N400-N403 PolarHBondContact O-N 2.97Å; N400-L404 PolarHBondContact O-N 2.89Å
401E86.2Confident72.2Confident53 Ų5361.7 Ų61.725%0.24832%0.321CS..Hα-helixtrans-51.2-46.4178.3174.8169176.100112.7F334 L338 K341 N403 L404 I405F334-E401 HydrophobicContact CE2-CB 4.28Å; F334-E401 HydrophobicContact CZ-CB 4.41Å; L338-E401 HydrophobicContact CD1-CG 3.79Å; K341-E401 IonicContact NZ-OE1 3.55Å; K341-E401 PolarHBondContact NZ-OE1 3.44Å; K341-E401 IonicContact NZ-OE2 2.79Å; K341-E401 PolarHBondContact NZ-OE2 3.44Å; E401-N403 PolarHBondContact O-N 3.19Å; E401-L404 PolarHBondContact O-N 3.42Å; E401-I405 HydrophobicContact CG-CD1 3.58Å; E401-I405 HydrophobicContact CG-CG1 4.46Å; E401-I405 WeakPolarHBondContact O-CB 3.37Å; E401-I405 WeakPolarHBondContact O-CD1 3.41Å; E401-I405 WeakPolarHBondContact O-CG1 3.35Å; E401-I405 PolarHBondContact O-N 3.45Å
402N86.5Confident73.9Confident114 Ų11454.1 Ų54.161%0.6129%0.286SS*.Hα-helixtrans-65.9-39.7-177.3-67.7-20000112.3N400 N406N400-N402 VanDerWaalsContact C-N 3.3Å; N400-N402 PolarHBondContact O-N 3.07Å; N400-N402 PolarHBondContact OD1-N 2.9Å; N400-N402 VanDerWaalsContact OD1-N 3.07Å; N402-N406 WeakPolarHBondContact O-CB 3.31Å; N402-N406 PolarHBondContact O-N 2.9Å
403N85Confident75.7Confident35 Ų3554.4 Ų54.419%0.18729%0.291CS..Hα-helixtrans-67.4-42.7179.1-67.3-16.4000110.9Y387 Y392 N400 E401 N406 F407Y387-N403 WeakPolarHBondContact OH-CB 3.34Å; Y392-N403 WeakPolarHBondContact CE1-ND2 3.23Å; Y392-N403 HydrophobicContact CE2-CB 4.39Å; Y392-N403 WeakPolarHBondContact OH-CB 3.4Å; Y392-N403 PolarHBondContact OH-ND2 3.49Å; Y392-N403 PolarHBondContact OH-OD1 2.88Å; N400-N403 HydrophobicContact CB-CB 4.24Å; N400-N403 PolarHBondContact O-N 2.97Å; E401-N403 PolarHBondContact O-N 3.19Å; N403-N406 PolarHBondContact O-N 3.05Å; N403-F407 PolarHBondContact O-N 3.1Å
404L88.2Confident77.5Confident0 Ų051.1 Ų51.10%028%0.276CS..Hα-helixtrans-66-44.7178.8-17162.2000111.5F317 F334 L338 F374 Y387 N400 E401 N406 F407 L408F317-L404 HydrophobicContact CE1-CD2 4.31Å; F317-L404 HydrophobicContact CZ-CD2 3.77Å; F334-L404 HydrophobicContact CE1-CD2 3.69Å; F334-L404 HydrophobicContact CZ-CD2 4.26Å; L338-L404 HydrophobicContact CD2-CD2 3.48Å; L338-L404 VanDerWaalsContact CD2-CD2 3.48Å; L338-L404 HydrophobicContact CD2-CG 4.34Å; F374-L404 HydrophobicContact CB-CD1 4.37Å; F374-L404 HydrophobicContact CD1-CD1 3.28Å; F374-L404 HydrophobicContact CD2-CD1 4.34Å; F374-L404 HydrophobicContact CE1-CD1 3.44Å; F374-L404 VanDerWaalsContact CE1-CD1 3.44Å; F374-L404 HydrophobicContact CE1-CG 4.34Å; F374-L404 HydrophobicContact CE2-CD1 4.48Å; F374-L404 HydrophobicContact CG-CD1 3.75Å; F374-L404 HydrophobicContact CZ-CD1 4.06Å; Y387-L404 HydrophobicContact CD2-CD1 4.16Å; Y387-L404 HydrophobicContact CE2-CD1 4.07Å; N400-L404 PolarHBondContact O-N 2.89Å; E401-L404 PolarHBondContact O-N 3.42Å; L404-N406 VanDerWaalsContact C-N 3.34Å; L404-N406 PolarHBondContact O-N 2.96Å; L404-F407 HydrophobicContact CD1-CD1 4.5Å; L404-F407 WeakPolarHBondContact O-CB 3.19Å; L404-F407 PolarHBondContact O-N 3.29Å; L404-L408 WeakPolarHBondContact O-CG 3.18Å; L404-L408 PolarHBondContact O-N 2.97Å
405I89Confident79.3Confident39 Ų3955.4 Ų55.420%0.229%0.287CS..Hα-helixtrans-60.7-45.6175.6-67.9164.3000110.2L338 L343 V346 E401 F407 L408 M409L338-I405 HydrophobicContact CD1-CD1 4.48Å; L343-I405 HydrophobicContact CD1-CD1 3.44Å; L343-I405 VanDerWaalsContact CD1-CD1 3.44Å; L343-I405 HydrophobicContact CD1-CG1 4.15Å; V346-I405 HydrophobicContact CG2-CG1 4.46Å; E401-I405 HydrophobicContact CG-CD1 3.58Å; E401-I405 HydrophobicContact CG-CG1 4.46Å; E401-I405 WeakPolarHBondContact O-CB 3.37Å; E401-I405 WeakPolarHBondContact O-CD1 3.41Å; E401-I405 WeakPolarHBondContact O-CG1 3.35Å; E401-I405 PolarHBondContact O-N 3.45Å; I405-F407 VanDerWaalsContact C-N 3.32Å; I405-F407 PolarHBondContact O-N 2.96Å; I405-L408 WeakPolarHBondContact O-CB 3.26Å; I405-L408 PolarHBondContact O-N 3.47Å; I405-M409 HydrophobicContact CG2-CG 4.27Å; I405-M409 VanDerWaalsContact O-CG 3.31Å; I405-M409 WeakPolarHBondContact O-CG 3.4Å; I405-M409 PolarHBondContact O-N 2.76Å
406N88.4Confident81Confident90 Ų9049.5 Ų49.548%0.48127%0.267SS..Hα-helixtrans-57.4-46.3176.5-174.311.4000111.3N402 N403 L404 L408 M409 L410N402-N406 WeakPolarHBondContact O-CB 3.31Å; N402-N406 PolarHBondContact O-N 2.9Å; N403-N406 PolarHBondContact O-N 3.05Å; L404-N406 VanDerWaalsContact C-N 3.34Å; L404-N406 PolarHBondContact O-N 2.96Å; N406-L408 PolarHBondContact O-N 3.39Å; N406-M409 PolarHBondContact O-N 3.1Å; N406-L410 VanDerWaalsContact O-CG 3.3Å; N406-L410 WeakPolarHBondContact O-CG 3.26Å; N406-L410 PolarHBondContact O-N 3.18Å
407F89.6Confident82.7Confident20 Ų2053.6 Ų53.69%0.08828%0.276CS..Hα-helixtrans-57.6-46.2175.1174.1-107.6000113F374 V376 Y387 N403 L404 I405 M409 L410 I411 I416F374-F407 HydrophobicContact CD1-CD1 4.25Å; F374-F407 HydrophobicContact CD1-CE1 4.03Å; F374-F407 HydrophobicContact CE1-CD1 4.16Å; F374-F407 HydrophobicContact CE1-CE1 4.1Å; V376-F407 HydrophobicContact CG2-CE1 4Å; Y387-F407 HydrophobicContact CD2-CB 3.9Å; Y387-F407 AromaticContact CD2-CD1 3.53Å; Y387-F407 HydrophobicContact CD2-CD1 3.53Å; Y387-F407 AromaticContact CD2-CD2 3.9Å; Y387-F407 HydrophobicContact CD2-CD2 3.9Å; Y387-F407 AromaticContact CD2-CE1 3.87Å; Y387-F407 HydrophobicContact CD2-CE1 3.87Å; Y387-F407 HydrophobicContact CD2-CE2 4.24Å; Y387-F407 AromaticContact CD2-CG 3.52Å; Y387-F407 HydrophobicContact CD2-CG 3.52Å; Y387-F407 HydrophobicContact CD2-CZ 4.2Å; Y387-F407 HydrophobicContact CE2-CB 3.76Å; Y387-F407 HydrophobicContact CE2-CD1 4.22Å; Y387-F407 HydrophobicContact CE2-CD2 4.46Å; Y387-F407 AromaticContact CE2-CG 3.93Å; Y387-F407 HydrophobicContact CE2-CG 3.93Å; Y387-F407 HydrophobicContact CG-CE1 4.47Å; N403-F407 PolarHBondContact O-N 3.1Å; L404-F407 HydrophobicContact CD1-CD1 4.5Å; L404-F407 WeakPolarHBondContact O-CB 3.19Å; L404-F407 PolarHBondContact O-N 3.29Å; I405-F407 VanDerWaalsContact C-N 3.32Å; I405-F407 PolarHBondContact O-N 2.96Å; F407-M409 VanDerWaalsContact C-N 3.33Å; F407-M409 PolarHBondContact O-N 2.88Å; F407-L410 PolarHBondContact O-N 3.24Å; F407-I411 HydrophobicContact CD1-CD1 3.81Å; F407-I411 HydrophobicContact CD2-CD1 4.4Å; F407-I411 HydrophobicContact CE1-CD1 3.4Å; F407-I411 VanDerWaalsContact CE1-CD1 3.4Å; F407-I411 HydrophobicContact CE2-CD1 4.03Å; F407-I411 HydrophobicContact CE2-CG1 4.47Å; F407-I411 HydrophobicContact CG-CD1 4.32Å; F407-I411 HydrophobicContact CZ-CD1 3.53Å; F407-I411 HydrophobicContact CZ-CG1 4.41Å; F407-I411 WeakPolarHBondContact O-CG1 3.26Å; F407-I411 PolarHBondContact O-N 3.5Å; F407-I416 HydrophobicContact CD2-CD1 3.53Å; F407-I416 HydrophobicContact CE2-CD1 3.67Å
408L91Very high84.5Confident0 Ų051.2 Ų51.20%027%0.267CS..Hα-helixtrans-58.6-45.4175.1-67.3179.2000111.4V346 F350 F374 V376 L404 I405 N406 L410 I411 N412V346-L408 HydrophobicContact CG1-CD1 3.95Å; V346-L408 HydrophobicContact CG2-CD1 4.42Å; F350-L408 HydrophobicContact CD1-CD2 3.78Å; F350-L408 HydrophobicContact CD2-CB 4.25Å; F350-L408 HydrophobicContact CD2-CD1 4.49Å; F350-L408 HydrophobicContact CE1-CB 4.42Å; F350-L408 HydrophobicContact CE1-CD2 3.79Å; F350-L408 HydrophobicContact CE2-CB 3.85Å; F350-L408 HydrophobicContact CG-CD2 4.16Å; F350-L408 HydrophobicContact CZ-CB 3.96Å; F350-L408 HydrophobicContact CZ-CD2 4.19Å; F350-L408 WeakPolarHBondContact CZ-O 3.17Å; F374-L408 HydrophobicContact CE1-CD2 3.8Å; F374-L408 HydrophobicContact CZ-CD2 3.93Å; V376-L408 HydrophobicContact CG2-CD2 3.5Å; V376-L408 VanDerWaalsContact CG2-CD2 3.5Å; L404-L408 WeakPolarHBondContact O-CG 3.18Å; L404-L408 PolarHBondContact O-N 2.97Å; I405-L408 WeakPolarHBondContact O-CB 3.26Å; I405-L408 PolarHBondContact O-N 3.47Å; N406-L408 PolarHBondContact O-N 3.39Å; L408-L410 PolarHBondContact O-N 3.33Å; L408-I411 PolarHBondContact O-N 3.1Å; L408-N412 PolarHBondContact O-N 2.8Å
409M88.8Confident86.1Confident52 Ų5253.9 Ų53.926%0.25628%0.281SS..Hα-helixtrans-65.5-38.9178.9-64.3-48.3-61.600112.3H345 I405 N406 F407 I411 N412 D413H345-M409 HydrophobicContact CB-SD 4.36Å; I405-M409 HydrophobicContact CG2-CG 4.27Å; I405-M409 VanDerWaalsContact O-CG 3.31Å; I405-M409 WeakPolarHBondContact O-CG 3.4Å; I405-M409 PolarHBondContact O-N 2.76Å; N406-M409 PolarHBondContact O-N 3.1Å; F407-M409 VanDerWaalsContact C-N 3.33Å; F407-M409 PolarHBondContact O-N 2.88Å; M409-I411 VanDerWaalsContact C-N 3.32Å; M409-I411 PolarHBondContact O-N 3.28Å; M409-N412 PolarHBondContact O-N 3.12Å; M409-D413 WeakPolarHBondContact O-CB 3.38Å; M409-D413 PolarHBondContact O-N 2.9Å
410L89.5Confident87.1Confident52 Ų5253.1 Ų53.127%0.27228%0.281SS..Hα-helixtrans-63.5-35.9174.8-69.6174.2000112.6N406 F407 L408 G414 K415 I416N406-L410 VanDerWaalsContact O-CG 3.3Å; N406-L410 WeakPolarHBondContact O-CG 3.26Å; N406-L410 PolarHBondContact O-N 3.18Å; F407-L410 PolarHBondContact O-N 3.24Å; L408-L410 PolarHBondContact O-N 3.33Å; L410-G414 PolarHBondContact O-N 3.11Å; L410-K415 HydrophobicContact CD2-CB 4.37Å; L410-K415 HydrophobicContact CD2-CD 3.57Å; L410-K415 PolarHBondContact O-N 3.05Å; L410-I416 HydrophobicContact CB-CD1 3.62Å; L410-I416 HydrophobicContact CB-CG1 3.97Å; L410-I416 HydrophobicContact CD1-CD1 4.24Å
411I89.9Confident87.6Confident6 Ų650.2 Ų50.23%0.03127%0.266CS..Hα-helixtrans-66.8-46.6172.2-67.2164.6000110.2L313 V376 Y385 F407 L408 M409 D413 G414 I416L313-I411 HydrophobicContact CD1-CG2 3.79Å; V376-I411 HydrophobicContact CB-CD1 3.78Å; V376-I411 HydrophobicContact CG1-CD1 4.24Å; V376-I411 HydrophobicContact CG1-CG2 4.48Å; V376-I411 HydrophobicContact CG2-CD1 3.61Å; Y385-I411 HydrophobicContact CD1-CG1 4.1Å; Y385-I411 HydrophobicContact CD1-CG2 4.15Å; Y385-I411 HydrophobicContact CD2-CD1 4.46Å; Y385-I411 HydrophobicContact CD2-CG2 4.01Å; Y385-I411 HydrophobicContact CE1-CG2 4.17Å; Y385-I411 HydrophobicContact CE2-CG2 4.05Å; Y385-I411 HydrophobicContact CG-CD1 3.95Å; Y385-I411 HydrophobicContact CG-CG1 4.03Å; Y385-I411 HydrophobicContact CG-CG2 4.07Å; F407-I411 HydrophobicContact CD1-CD1 3.81Å; F407-I411 HydrophobicContact CD2-CD1 4.4Å; F407-I411 HydrophobicContact CE1-CD1 3.4Å; F407-I411 VanDerWaalsContact CE1-CD1 3.4Å; F407-I411 HydrophobicContact CE2-CD1 4.03Å; F407-I411 HydrophobicContact CE2-CG1 4.47Å; F407-I411 HydrophobicContact CG-CD1 4.32Å; F407-I411 HydrophobicContact CZ-CD1 3.53Å; F407-I411 HydrophobicContact CZ-CG1 4.41Å; F407-I411 WeakPolarHBondContact O-CG1 3.26Å; F407-I411 PolarHBondContact O-N 3.5Å; L408-I411 PolarHBondContact O-N 3.1Å; M409-I411 VanDerWaalsContact C-N 3.32Å; M409-I411 PolarHBondContact O-N 3.28Å; I411-D413 VanDerWaalsContact C-N 3.27Å; I411-D413 PolarHBondContact O-N 3.27Å; I411-G414 WeakPolarHBondContact O-CA 3.34Å; I411-G414 PolarHBondContact O-N 3.43Å; I411-I416 HydrophobicContact CG1-CB 4.18Å; I411-I416 HydrophobicContact CG1-CD1 4.06Å
412N86.1Confident87.5Confident4 Ų449 Ų492%0.02126%0.261CS..Hα-helixtrans-60.8-38.2179.7-172.362.4000112.1F350 L408 M409 G414F350-N412 HydrophobicContact CE2-CB 4.16Å; F350-N412 HydrophobicContact CZ-CB 4.05Å; L408-N412 PolarHBondContact O-N 2.8Å; M409-N412 PolarHBondContact O-N 3.12Å; N412-G414 PolarHBondContact O-N 3Å
413D85.6Confident87.7Confident57 Ų5745.9 Ų45.931%0.30525%0.247SC..THydrogen-bonded Turntrans-70.3-10173.6-75.2-7.1000113.6M409 I411 K415M409-D413 WeakPolarHBondContact O-CB 3.38Å; M409-D413 PolarHBondContact O-N 2.9Å; I411-D413 VanDerWaalsContact C-N 3.27Å; I411-D413 PolarHBondContact O-N 3.27Å; D413-K415 VanDerWaalsContact C-N 3.32Å; D413-K415 HydrophobicContact CB-CD 4.1Å; D413-K415 HydrophobicContact CB-CG 4.03Å; D413-K415 IonicContact OD2-NZ 2.9Å; D413-K415 PolarHBondContact OD2-NZ 2.88Å; D413-K415 VanDerWaalsContact OD2-NZ 3.12Å
414G83.6Confident87.9Confident51 Ų5150.6 Ų50.653%0.52627%0.27SS..THydrogen-bonded Turntrans73.719.4-177.400000114.3L410 I411 N412L410-G414 PolarHBondContact O-N 3.11Å; I411-G414 WeakPolarHBondContact O-CA 3.34Å; I411-G414 PolarHBondContact O-N 3.43Å; N412-G414 PolarHBondContact O-N 3Å
415K85.6Confident88.1Confident143 Ų14354 Ų5462%0.62229%0.294SS*.  trans-79.6-23.4179.8-66.9173.8-178159.80112.8L410 D413L410-K415 HydrophobicContact CD2-CB 4.37Å; L410-K415 HydrophobicContact CD2-CD 3.57Å; L410-K415 PolarHBondContact O-N 3.05Å; D413-K415 VanDerWaalsContact C-N 3.32Å; D413-K415 HydrophobicContact CB-CD 4.1Å; D413-K415 HydrophobicContact CB-CG 4.03Å; D413-K415 IonicContact OD2-NZ 2.9Å; D413-K415 PolarHBondContact OD2-NZ 2.88Å; D413-K415 VanDerWaalsContact OD2-NZ 3.12Å
416I85.4Confident88.3Confident51 Ų5153.9 Ų53.926%0.26229%0.294SS..SBendtrans-102.2127.7177.6-59.9176000108.6Y385 F407 L410 I411Y385-I416 HydrophobicContact CD1-CB 4.45Å; Y385-I416 HydrophobicContact CD1-CG2 4.02Å; Y385-I416 VanDerWaalsContact CE1-O 3.31Å; Y385-I416 WeakPolarHBondContact CE1-O 3.3Å; F407-I416 HydrophobicContact CD2-CD1 3.53Å; F407-I416 HydrophobicContact CE2-CD1 3.67Å; L410-I416 HydrophobicContact CB-CD1 3.62Å; L410-I416 HydrophobicContact CB-CG1 3.97Å; L410-I416 HydrophobicContact CD1-CD1 4.24Å; I411-I416 HydrophobicContact CG1-CB 4.18Å; I411-I416 HydrophobicContact CG1-CD1 4.06Å
417K86.2Confident88.4Confident193 Ų19355.2 Ų55.284%0.83929%0.292SS*.PPolyproline II helixtrans-84.3131.9176.6-171177.5178.2-1770110.4
418G87.7Confident88.6Confident15 Ų1559.7 Ų59.716%0.15532%0.316CS..PPolyproline II helixtrans-73152.3176.200000112.6L384 Y385L384-G418 WeakPolarHBondContact O-CA 3.39Å; Y385-G418 VanDerWaalsContact CE1-CA 3.44Å; Y385-G418 VanDerWaalsContact CE1-N 3.26Å
419I89.2Confident88.8Confident65 Ų6564.9 Ų64.933%0.33334%0.34SS..EExtended strand (participates in β ladder)trans-100.7152.7171.8-56.4170.4000108.1E383 L384 I386E383-I419 CarbonylContact C-O 3.6Å; E383-I419 WeakPolarHBondContact CA-O 3.03Å; L384-I419 PolarHBondContact N-O 3.38Å; L384-I419 PolarHBondContact O-N 3.2Å; I386-I419 HydrophobicContact CD1-CD1 4.23Å
420G89.2Confident89Confident13 Ų1363.8 Ų63.813%0.13433%0.333CS..EExtended strand (participates in β ladder)trans75.4-143.6-174.900000110.6L364 I426L364-G420 WeakPolarHBondContact O-CA 3.05Å; G420-I426 VanDerWaalsContact O-CD1 3.26Å; G420-I426 WeakPolarHBondContact O-CD1 3.33Å
421G88Confident89.2Confident2 Ų266.8 Ų66.82%0.02135%0.349CS..  trans118.9-178.8-173.500000113.6T381 Y382 I426 R430T381-G421 CarbonylContact O-C 3.54Å; T381-G421 WeakPolarHBondContact O-CA 3.32Å; Y382-G421 WeakPolarHBondContact O-CA 3.3Å; Y382-G421 PolarHBondContact O-N 3.03Å; G421-I426 WeakPolarHBondContact O-CG2 3.14Å; G421-R430 PolarHBondContact O-NH2 2.9Å
422N86Confident89.5Confident27 Ų2767.9 Ų67.914%0.14436%0.361CS..SBendtrans-11811.5-170.8-103.1-8.8000115.3I380 T381 Y382 R427I380-N422 PolarHBondContact O-ND2 2.82Å; T381-N422 VanDerWaalsContact O-CB 3.25Å; T381-N422 WeakPolarHBondContact O-CB 3.48Å; T381-N422 PolarHBondContact O-N 3.48Å; Y382-N422 VanDerWaalsContact CD2-CG 3.41Å; Y382-N422 WeakPolarHBondContact CD2-ND2 3.38Å; Y382-N422 WeakPolarHBondContact CE2-ND2 3.49Å; N422-R427 VanDerWaalsContact O-CZ 3.31Å; N422-R427 PolarHBondContact O-NE 3.47Å; N422-R427 PolarHBondContact O-NH2 3.42Å
423T89.2Confident89.9Confident49 Ų4969.7 Ų69.730%0.30137%0.368SS..SBendtrans-68155176.268.80000111.2S425 I426 R427T423-S425 VanDerWaalsContact C-N 3.3Å; T423-S425 PolarHBondContact O-N 2.59Å; T423-I426 HydrophobicContact CG2-CD1 4.48Å; T423-I426 PolarHBondContact O-N 2.85Å; T423-I426 VanDerWaalsContact O-N 3.13Å; T423-I426 VanDerWaalsContact OG1-CD1 3.23Å; T423-I426 WeakPolarHBondContact OG1-CD1 3.31Å; T423-I426 WeakPolarHBondContact OG1-CG1 3.47Å; T423-R427 WeakPolarHBondContact O-CG 3.28Å; T423-R427 PolarHBondContact O-N 3.23Å
424I90.1Very high90.3Very high134 Ų13469.9 Ų69.969%0.68737%0.369SS*.Hα-helixtrans-56.3-44.4-177.7-65.8161.4000111.4I426 R427 L428I424-I426 PolarHBondContact O-N 3.17Å; I424-R427 PolarHBondContact O-N 3Å; I424-L428 HydrophobicContact CG2-CD1 4.2Å; I424-L428 WeakPolarHBondContact O-CG 3.12Å; I424-L428 PolarHBondContact O-N 2.89Å
425S92.6Very high90.8Very high71 Ų7174 Ų7450%0.49737%0.373SS..Hα-helixtrans-59.9-45.1177.8-177.20000111.8T423 R427 L428 Q429T423-S425 VanDerWaalsContact C-N 3.3Å; T423-S425 PolarHBondContact O-N 2.59Å; S425-R427 PolarHBondContact O-N 2.88Å; S425-L428 PolarHBondContact O-N 3.46Å; S425-Q429 WeakPolarHBondContact O-CG 3.48Å; S425-Q429 PolarHBondContact O-N 3.14Å
426I91.8Very high91.2Very high37 Ų3772.7 Ų72.719%0.1937%0.372CS..Hα-helixtrans-68.6-36.5-179.8-63.9172.4000111.3M366 G420 G421 T423 I424 L428 Q429 R430M366-I426 HydrophobicContact CE-CG2 4.2Å; G420-I426 VanDerWaalsContact O-CD1 3.26Å; G420-I426 WeakPolarHBondContact O-CD1 3.33Å; G421-I426 WeakPolarHBondContact O-CG2 3.14Å; T423-I426 HydrophobicContact CG2-CD1 4.48Å; T423-I426 PolarHBondContact O-N 2.85Å; T423-I426 VanDerWaalsContact O-N 3.13Å; T423-I426 VanDerWaalsContact OG1-CD1 3.23Å; T423-I426 WeakPolarHBondContact OG1-CD1 3.31Å; T423-I426 WeakPolarHBondContact OG1-CG1 3.47Å; I424-I426 PolarHBondContact O-N 3.17Å; I426-L428 VanDerWaalsContact C-N 3.35Å; I426-Q429 PolarHBondContact O-N 3.3Å; I426-R430 WeakPolarHBondContact O-CB 3.47Å; I426-R430 PolarHBondContact O-N 2.66Å
427R92.1Very high91.4Very high117 Ų11772.5 Ų72.544%0.44237%0.371SS..Hα-helixtrans-64.2-38.8174-72.5-178.8-180160.74.8112.3N422 T423 I424 S425 R430 L431N422-R427 VanDerWaalsContact O-CZ 3.31Å; N422-R427 PolarHBondContact O-NE 3.47Å; N422-R427 PolarHBondContact O-NH2 3.42Å; T423-R427 WeakPolarHBondContact O-CG 3.28Å; T423-R427 PolarHBondContact O-N 3.23Å; I424-R427 PolarHBondContact O-N 3Å; S425-R427 PolarHBondContact O-N 2.88Å; R427-R430 PolarHBondContact O-N 2.76Å; R427-L431 WeakPolarHBondContact O-CB 3.2Å; R427-L431 PolarHBondContact O-N 2.74Å
428L93.8Very high91.6Very high115 Ų11565.2 Ų65.260%0.60235%0.351SS*.Hα-helixtrans-65.9-43.9174.7-73.1168.9000111.5I424 S425 I426 R430 L431 G432I424-L428 HydrophobicContact CG2-CD1 4.2Å; I424-L428 WeakPolarHBondContact O-CG 3.12Å; I424-L428 PolarHBondContact O-N 2.89Å; S425-L428 PolarHBondContact O-N 3.46Å; I426-L428 VanDerWaalsContact C-N 3.35Å; L428-R430 VanDerWaalsContact C-N 3.31Å; L428-R430 PolarHBondContact O-N 2.9Å; L428-L431 PolarHBondContact O-N 3.11Å; L428-G432 PolarHBondContact O-N 3.12Å
429Q93.8Very high91.7Very high108 Ų10868 Ų6851%0.50536%0.359SS..Hα-helixtrans-59.5-43.3173.5-70.8176.3-2.200111.5M366 S425 I426 G432 Y433M366-Q429 HydrophobicContact CE-CB 4.37Å; M366-Q429 HydrophobicContact SD-CB 3.75Å; S425-Q429 WeakPolarHBondContact O-CG 3.48Å; S425-Q429 PolarHBondContact O-N 3.14Å; I426-Q429 PolarHBondContact O-N 3.3Å; Q429-G432 PolarHBondContact O-N 3.27Å; Q429-Y433 WeakPolarHBondContact O-CB 3.41Å; Q429-Y433 PolarHBondContact O-N 3.16Å
430R93.8Very high91.8Very high29 Ų2968.2 Ų68.211%0.10937%0.366CS..Hα-helixtrans-64-40.7177.1-172.8175.8-52.7148.112.8112.5N363 L364 M366 G421 I426 R427 L428 G432 Y433 N434N363-R430 WeakPolarHBondContact O-CD 3.25Å; N363-R430 WeakPolarHBondContact O-CG 3.15Å; N363-R430 PolarHBondContact O-NE 3.18Å; L364-R430 VanDerWaalsContact CD2-CZ 3.46Å; M366-R430 HydrophobicContact CG-CB 4.31Å; M366-R430 HydrophobicContact CG-CG 4.45Å; M366-R430 VanDerWaalsContact SD-CA 3.59Å; M366-R430 HydrophobicContact SD-CB 3.96Å; M366-R430 PolarHBondContact SD-N 3.4Å; M366-R430 VanDerWaalsContact SD-N 3.39Å; G421-R430 PolarHBondContact O-NH2 2.9Å; I426-R430 WeakPolarHBondContact O-CB 3.47Å; I426-R430 PolarHBondContact O-N 2.66Å; R427-R430 PolarHBondContact O-N 2.76Å; L428-R430 VanDerWaalsContact C-N 3.31Å; L428-R430 PolarHBondContact O-N 2.9Å; R430-G432 VanDerWaalsContact C-N 3.33Å; R430-Y433 PolarHBondContact O-N 3.49Å; R430-N434 WeakPolarHBondContact O-CB 3.44Å; R430-N434 PolarHBondContact O-N 3.48Å; R430-N434 PolarHBondContact O-OD1 2.98Å
431L94.5Very high91.8Very high116 Ų11672.8 Ų72.861%0.60738%0.382SS*.Hα-helixtrans-59.6-46.9173.9-175.1156.7000110.4R427 L428 N434 F435R427-L431 WeakPolarHBondContact O-CB 3.2Å; R427-L431 PolarHBondContact O-N 2.74Å; L428-L431 PolarHBondContact O-N 3.11Å; L431-N434 PolarHBondContact O-N 2.9Å; L431-F435 VanDerWaalsContact O-CB 3.29Å; L431-F435 WeakPolarHBondContact O-CB 3.41Å; L431-F435 PolarHBondContact O-N 3Å
432G95.6Very high92Very high28 Ų2875.8 Ų75.829%0.28940%0.395SS..Hα-helixtrans-60.3-46.3175.700000112.8L428 Q429 R430 F435 L436L428-G432 PolarHBondContact O-N 3.12Å; Q429-G432 PolarHBondContact O-N 3.27Å; R430-G432 VanDerWaalsContact C-N 3.33Å; G432-F435 PolarHBondContact O-N 2.86Å; G432-L436 VanDerWaalsContact O-CG 3.3Å; G432-L436 WeakPolarHBondContact O-CG 3.43Å; G432-L436 PolarHBondContact O-N 2.76Å
433Y94.6Very high92.2Very high43 Ų4377.1 Ų77.117%0.16940%0.404CS..Hα-helixtrans-59.8-50.2176.3177.6-97000112.3M366 K367 Q429 R430 F435 L436 I437M366-Y433 HydrophobicContact CB-CD1 4.2Å; M366-Y433 HydrophobicContact CB-CD2 4.05Å; M366-Y433 HydrophobicContact CB-CE2 4.38Å; M366-Y433 HydrophobicContact CB-CG 3.94Å; M366-Y433 HydrophobicContact CG-CD1 4.28Å; M366-Y433 HydrophobicContact CG-CG 4.18Å; M366-Y433 VanDerWaalsContact O-CE2 3.3Å; M366-Y433 WeakPolarHBondContact O-CE2 3.47Å; K367-Y433 VanDerWaalsContact C-OH 3.29Å; K367-Y433 VanDerWaalsContact CA-OH 3.27Å; K367-Y433 WeakPolarHBondContact CA-OH 3.31Å; K367-Y433 PolarHBondContact N-OH 2.71Å; Q429-Y433 WeakPolarHBondContact O-CB 3.41Å; Q429-Y433 PolarHBondContact O-N 3.16Å; R430-Y433 PolarHBondContact O-N 3.49Å; Y433-F435 VanDerWaalsContact C-N 3.29Å; Y433-F435 PolarHBondContact O-N 2.85Å; Y433-L436 PolarHBondContact O-N 2.96Å; Y433-I437 HydrophobicContact CD1-CD1 4.04Å; Y433-I437 HydrophobicContact CD2-CD1 4.45Å; Y433-I437 HydrophobicContact CE1-CD1 3.31Å; Y433-I437 HydrophobicContact CE1-CG1 4.35Å; Y433-I437 HydrophobicContact CE2-CD1 3.8Å; Y433-I437 HydrophobicContact CE2-CG1 4.45Å; Y433-I437 PolarHBondContact O-N 3.24Å; Y433-I437 VanDerWaalsContact OH-CD1 3.26Å; Y433-I437 WeakPolarHBondContact OH-CD1 3.4Å
434N92.9Very high92.4Very high61 Ų6179.8 Ų79.833%0.32642%0.42SS..Hα-helixtrans-61.6-39.1178.5-70.7-2.1000111.5N363 R430 L431 G438N363-N434 WeakPolarHBondContact CB-OD1 3.26Å; N363-N434 VanDerWaalsContact CG-OD1 3.32Å; N363-N434 PolarHBondContact OD1-OD1 3.27Å; R430-N434 WeakPolarHBondContact O-CB 3.44Å; R430-N434 PolarHBondContact O-N 3.48Å; R430-N434 PolarHBondContact O-OD1 2.98Å; L431-N434 PolarHBondContact O-N 2.9Å; N434-G438 PolarHBondContact O-N 2.8Å
435F94.3Very high92.6Very high137 Ų13778.3 Ų78.360%0.60142%0.418SS*.Hα-helixtrans-63.1-47.7174.7178.4-96.4000111.5L431 G432 Y433 I437 G438 F439L431-F435 VanDerWaalsContact O-CB 3.29Å; L431-F435 WeakPolarHBondContact O-CB 3.41Å; L431-F435 PolarHBondContact O-N 3Å; G432-F435 PolarHBondContact O-N 2.86Å; Y433-F435 VanDerWaalsContact C-N 3.29Å; Y433-F435 PolarHBondContact O-N 2.85Å; F435-I437 PolarHBondContact O-N 2.99Å; F435-G438 PolarHBondContact O-N 3.24Å; F435-F439 WeakPolarHBondContact O-CB 3.44Å; F435-F439 PolarHBondContact O-N 3.49Å
436L93.8Very high92.7Very high115 Ų11582.3 Ų82.360%0.60242%0.422SS*.Hα-helixtrans-62.2-42179.4-72.7171.7000112.5G432 Y433 S440G432-L436 VanDerWaalsContact O-CG 3.3Å; G432-L436 WeakPolarHBondContact O-CG 3.43Å; G432-L436 PolarHBondContact O-N 2.76Å; Y433-L436 PolarHBondContact O-N 2.96Å; L436-S440 VanDerWaalsContact O-CB 3.27Å; L436-S440 WeakPolarHBondContact O-CB 3.3Å; L436-S440 PolarHBondContact O-N 3.36Å
437I90.4Very high92.7Very high47 Ų4784.3 Ų84.324%0.24144%0.437CS..Hα-helixtrans-66.7-48.3175.8-71.7-173.9000111.2Y433 F435 F439 S440 K441Y433-I437 HydrophobicContact CD1-CD1 4.04Å; Y433-I437 HydrophobicContact CD2-CD1 4.45Å; Y433-I437 HydrophobicContact CE1-CD1 3.31Å; Y433-I437 HydrophobicContact CE1-CG1 4.35Å; Y433-I437 HydrophobicContact CE2-CD1 3.8Å; Y433-I437 HydrophobicContact CE2-CG1 4.45Å; Y433-I437 PolarHBondContact O-N 3.24Å; Y433-I437 VanDerWaalsContact OH-CD1 3.26Å; Y433-I437 WeakPolarHBondContact OH-CD1 3.4Å; F435-I437 PolarHBondContact O-N 2.99Å; I437-F439 VanDerWaalsContact C-N 3.26Å; I437-F439 PolarHBondContact O-N 3.39Å; I437-S440 PolarHBondContact O-N 2.74Å; I437-K441 HydrophobicContact CG2-CD 4.07Å; I437-K441 HydrophobicContact CG2-CG 4.37Å; I437-K441 WeakPolarHBondContact O-CB 3.38Å; I437-K441 WeakPolarHBondContact O-CG 3.28Å; I437-K441 PolarHBondContact O-N 3.22Å
438G90.4Very high92.6Very high40 Ų4085.6 Ų85.641%0.41245%0.452SS..Hα-helixtrans-58.8-42178.100000111.6N434 F435 F442N434-G438 PolarHBondContact O-N 2.8Å; F435-G438 PolarHBondContact O-N 3.24Å; G438-F442 VanDerWaalsContact O-CB 3.23Å; G438-F442 WeakPolarHBondContact O-CB 3.45Å; G438-F442 PolarHBondContact O-N 3.37Å
439F90.7Very high92.5Very high74 Ų7483.7 Ų83.733%0.32544%0.442SS..Hα-helixtrans-65.2-46.9176.1-175.1-101.5000112.2F435 I437 K441 F442 V443 L454F435-F439 WeakPolarHBondContact O-CB 3.44Å; F435-F439 PolarHBondContact O-N 3.49Å; I437-F439 VanDerWaalsContact C-N 3.26Å; I437-F439 PolarHBondContact O-N 3.39Å; F439-K441 PolarHBondContact O-N 2.89Å; F439-F442 WeakPolarHBondContact O-CB 3.41Å; F439-F442 PolarHBondContact O-N 3.06Å; F439-F442 VanDerWaalsContact O-N 3.15Å; F439-V443 HydrophobicContact CD1-CG2 4.11Å; F439-V443 HydrophobicContact CD2-CG2 4.47Å; F439-V443 HydrophobicContact CE1-CG2 3.69Å; F439-V443 HydrophobicContact CE2-CG2 4.08Å; F439-V443 HydrophobicContact CG-CG2 4.47Å; F439-V443 HydrophobicContact CZ-CG2 3.68Å; F439-V443 WeakPolarHBondContact O-CG2 3.42Å; F439-V443 PolarHBondContact O-N 3.38Å; F439-L454 HydrophobicContact CE2-CD1 4.35Å; F439-L454 HydrophobicContact CZ-CD1 4.47Å; F439-L454 HydrophobicContact CZ-CD2 4.06Å
440S89.8Confident92.3Very high70 Ų7078.8 Ų78.849%0.4942%0.42SS..Hα-helixtrans-59.8-46176.1-179.60000111.9L436 I437 F442 V443 T444L436-S440 VanDerWaalsContact O-CB 3.27Å; L436-S440 WeakPolarHBondContact O-CB 3.3Å; L436-S440 PolarHBondContact O-N 3.36Å; I437-S440 PolarHBondContact O-N 2.74Å; S440-F442 VanDerWaalsContact C-N 3.32Å; S440-F442 PolarHBondContact O-N 2.87Å; S440-V443 PolarHBondContact O-N 3.17Å; S440-T444 WeakPolarHBondContact O-CB 3.46Å; S440-T444 VanDerWaalsContact O-CG2 3.31Å; S440-T444 WeakPolarHBondContact O-CG2 3.45Å; S440-T444 PolarHBondContact O-N 3.04Å; S440-T444 PolarHBondContact O-OG1 3.44Å
441K90.9Very high92Very high109 Ų10983.2 Ų83.247%0.47445%0.445SS..Hα-helixtrans-60.8-40.5173.8-73.3-178.3178.7-177.30111.4E359 I437 F439 T444 T445E359-K441 IonicContact OE1-NZ 3.44Å; E359-K441 PolarHBondContact OE1-NZ 3.5Å; I437-K441 HydrophobicContact CG2-CD 4.07Å; I437-K441 HydrophobicContact CG2-CG 4.37Å; I437-K441 WeakPolarHBondContact O-CB 3.38Å; I437-K441 WeakPolarHBondContact O-CG 3.28Å; I437-K441 PolarHBondContact O-N 3.22Å; F439-K441 PolarHBondContact O-N 2.89Å; K441-T444 WeakPolarHBondContact CA-OG1 3.35Å; K441-T444 PolarHBondContact O-OG1 2.95Å; K441-T444 VanDerWaalsContact O-OG1 3.05Å; K441-T445 VanDerWaalsContact O-CB 3.24Å; K441-T445 WeakPolarHBondContact O-CB 3.47Å; K441-T445 PolarHBondContact O-N 3.45Å; K441-T445 PolarHBondContact O-OG1 3.42Å
442F90.2Very high91.8Very high65 Ų6583 Ų8329%0.28544%0.444SS..Hα-helixtrans-65.5-48178.5171.8-114.8000112.5G438 F439 S440 T444 T445 R446 L449 A450 I453G438-F442 VanDerWaalsContact O-CB 3.23Å; G438-F442 WeakPolarHBondContact O-CB 3.45Å; G438-F442 PolarHBondContact O-N 3.37Å; F439-F442 WeakPolarHBondContact O-CB 3.41Å; F439-F442 PolarHBondContact O-N 3.06Å; F439-F442 VanDerWaalsContact O-N 3.15Å; S440-F442 VanDerWaalsContact C-N 3.32Å; S440-F442 PolarHBondContact O-N 2.87Å; F442-T444 VanDerWaalsContact C-N 3.34Å; F442-T444 PolarHBondContact O-N 2.89Å; F442-T445 PolarHBondContact O-N 2.82Å; F442-R446 HydrophobicContact CE2-CB 4.43Å; F442-R446 PolarHBondContact O-N 3.18Å; F442-L449 HydrophobicContact CE2-CD2 4.07Å; F442-L449 HydrophobicContact CE2-CG 4.45Å; F442-L449 HydrophobicContact CZ-CD2 4.32Å; F442-L449 HydrophobicContact CZ-CG 4.23Å; F442-A450 HydrophobicContact CD1-CB 3.83Å; F442-A450 VanDerWaalsContact CE1-CA 3.44Å; F442-A450 HydrophobicContact CE1-CB 3.36Å; F442-A450 HydrophobicContact CZ-CB 3.89Å; F442-I453 HydrophobicContact CZ-CD1 4.07Å
443V91.1Very high91.6Very high55 Ų5586.2 Ų86.233%0.33345%0.454SS..Hα-helixtrans-62.3-42.2178.2172.50000111.1F439 S440 P447 A450F439-V443 HydrophobicContact CD1-CG2 4.11Å; F439-V443 HydrophobicContact CD2-CG2 4.47Å; F439-V443 HydrophobicContact CE1-CG2 3.69Å; F439-V443 HydrophobicContact CE2-CG2 4.08Å; F439-V443 HydrophobicContact CG-CG2 4.47Å; F439-V443 HydrophobicContact CZ-CG2 3.68Å; F439-V443 WeakPolarHBondContact O-CG2 3.42Å; F439-V443 PolarHBondContact O-N 3.38Å; S440-V443 PolarHBondContact O-N 3.17Å; V443-P447 VanDerWaalsContact O-CA 3.29Å; V443-P447 WeakPolarHBondContact O-CA 3.46Å; V443-P447 WeakPolarHBondContact O-CB 3.45Å; V443-A450 HydrophobicContact CB-CB 4.5Å; V443-A450 HydrophobicContact CG2-CB 4Å
444T92.5Very high91.2Very high104 Ų10489.2 Ų89.264%0.63847%0.472SS*.Hα-helixtrans-71.9-35.5179.551.50000112.8S440 K441 F442S440-T444 WeakPolarHBondContact O-CB 3.46Å; S440-T444 VanDerWaalsContact O-CG2 3.31Å; S440-T444 WeakPolarHBondContact O-CG2 3.45Å; S440-T444 PolarHBondContact O-N 3.04Å; S440-T444 PolarHBondContact O-OG1 3.44Å; K441-T444 WeakPolarHBondContact CA-OG1 3.35Å; K441-T444 PolarHBondContact O-OG1 2.95Å; K441-T444 VanDerWaalsContact O-OG1 3.05Å; F442-T444 VanDerWaalsContact C-N 3.34Å; F442-T444 PolarHBondContact O-N 2.89Å
445T94.7Very high90.9Very high104 Ų10487 Ų8764%0.63846%0.464SS*.Hα-helixtrans-80.4-37.1-178.7-51.50000112.7K441 F442K441-T445 VanDerWaalsContact O-CB 3.24Å; K441-T445 WeakPolarHBondContact O-CB 3.47Å; K441-T445 PolarHBondContact O-N 3.45Å; K441-T445 PolarHBondContact O-OG1 3.42Å; F442-T445 PolarHBondContact O-N 2.82Å
446R94.3Very high90.7Very high155 Ų15584 Ų8459%0.58546%0.457SS*.  trans-13867.8-174.9-63.2-173.1-179.2178.40.2111.7F442 L448 L449 A450F442-R446 HydrophobicContact CE2-CB 4.43Å; F442-R446 PolarHBondContact O-N 3.18Å; R446-L448 PolarHBondContact O-N 2.93Å; R446-L449 HydrophobicContact CB-CB 4.18Å; R446-L449 PolarHBondContact O-N 2.82Å; R446-A450 PolarHBondContact O-N 2.83Å
447P91.9Very high90.7Very high78 Ų7882 Ų8251%0.50645%0.451SS..Hα-helixtrans-61.3-39.5-172.122.6-33.6000113.5V443 A450 L451V443-P447 VanDerWaalsContact O-CA 3.29Å; V443-P447 WeakPolarHBondContact O-CA 3.46Å; V443-P447 WeakPolarHBondContact O-CB 3.45Å; P447-A450 PolarHBondContact O-N 3.31Å; P447-L451 WeakPolarHBondContact O-CB 3.46Å; P447-L451 PolarHBondContact O-N 2.86Å
448L90.2Very high90.7Very high145 Ų14582.3 Ų82.376%0.75946%0.46SS*.Hα-helixtrans-64.9-42.4179.5-66.8177000112.6R446 L451 L452R446-L448 PolarHBondContact O-N 2.93Å; L448-L451 PolarHBondContact O-N 3.31Å; L448-L452 PolarHBondContact O-N 2.62Å; L448-L452 VanDerWaalsContact O-N 3.08Å
449L92.4Very high90.8Very high74 Ų7486.5 Ų86.539%0.38747%0.473SS..Hα-helixtrans-68.9-39.3177.8-173.967.1000110.8F442 R446 L452 I453F442-L449 HydrophobicContact CE2-CD2 4.07Å; F442-L449 HydrophobicContact CE2-CG 4.45Å; F442-L449 HydrophobicContact CZ-CD2 4.32Å; F442-L449 HydrophobicContact CZ-CG 4.23Å; R446-L449 HydrophobicContact CB-CB 4.18Å; R446-L449 PolarHBondContact O-N 2.82Å; L449-L452 PolarHBondContact O-N 2.88Å; L449-I453 HydrophobicContact CD1-CD1 4.12Å; L449-I453 HydrophobicContact CD1-CG1 4.43Å; L449-I453 HydrophobicContact CD2-CD1 4.42Å; L449-I453 HydrophobicContact CG-CD1 3.87Å; L449-I453 HydrophobicContact CG-CG1 4.46Å; L449-I453 WeakPolarHBondContact O-CB 3.42Å; L449-I453 WeakPolarHBondContact O-CG1 3.36Å; L449-I453 PolarHBondContact O-N 3.4Å
450A88.9Confident90.9Very high6 Ų689.1 Ų89.15%0.0549%0.487CS..Hα-helixtrans-63.1-41.7175.900000112.3F442 V443 R446 P447 L452 I453 L454F442-A450 HydrophobicContact CD1-CB 3.83Å; F442-A450 VanDerWaalsContact CE1-CA 3.44Å; F442-A450 HydrophobicContact CE1-CB 3.36Å; F442-A450 HydrophobicContact CZ-CB 3.89Å; V443-A450 HydrophobicContact CB-CB 4.5Å; V443-A450 HydrophobicContact CG2-CB 4Å; R446-A450 PolarHBondContact O-N 2.83Å; P447-A450 PolarHBondContact O-N 3.31Å; A450-L452 VanDerWaalsContact C-N 3.34Å; A450-L452 PolarHBondContact O-N 2.94Å; A450-I453 PolarHBondContact O-N 2.68Å; A450-L454 VanDerWaalsContact O-CB 3.3Å; A450-L454 WeakPolarHBondContact O-CB 3.35Å; A450-L454 PolarHBondContact O-N 2.79Å
451L87.7Confident91.1Very high121 Ų12192.5 Ų92.563%0.63449%0.494SS*.Hα-helixtrans-62.4-39.9174.5-177.166.1000111.8P447 L448 G455P447-L451 WeakPolarHBondContact O-CB 3.46Å; P447-L451 PolarHBondContact O-N 2.86Å; L448-L451 PolarHBondContact O-N 3.31Å; L451-G455 WeakPolarHBondContact O-CA 3.34Å; L451-G455 PolarHBondContact O-N 2.71Å
452L90.9Very high91.1Very high111 Ų11190.9 Ų90.958%0.58150%0.496SS*.Hα-helixtrans-67.2-49.1177.5-166.4160.4000111L448 L449 A450 V456L448-L452 PolarHBondContact O-N 2.62Å; L448-L452 VanDerWaalsContact O-N 3.08Å; L449-L452 PolarHBondContact O-N 2.88Å; A450-L452 VanDerWaalsContact C-N 3.34Å; A450-L452 PolarHBondContact O-N 2.94Å; L452-V456 HydrophobicContact CG-CG2 4.46Å; L452-V456 WeakPolarHBondContact O-CB 3.26Å; L452-V456 WeakPolarHBondContact O-CG2 3.47Å; L452-V456 PolarHBondContact O-N 3.16Å
453I90.3Very high91.3Very high97 Ų9789.2 Ų89.250%0.49750%0.497SS..Hα-helixtrans-67-39.7-176.1-68.7177.2000112.1F442 L449 A450 P457F442-I453 HydrophobicContact CZ-CD1 4.07Å; L449-I453 HydrophobicContact CD1-CD1 4.12Å; L449-I453 HydrophobicContact CD1-CG1 4.43Å; L449-I453 HydrophobicContact CD2-CD1 4.42Å; L449-I453 HydrophobicContact CG-CD1 3.87Å; L449-I453 HydrophobicContact CG-CG1 4.46Å; L449-I453 WeakPolarHBondContact O-CB 3.42Å; L449-I453 WeakPolarHBondContact O-CG1 3.36Å; L449-I453 PolarHBondContact O-N 3.4Å; A450-I453 PolarHBondContact O-N 2.68Å; I453-P457 WeakPolarHBondContact O-CD 3.49Å; I453-P457 VanDerWaalsContact O-CG 3.28Å; I453-P457 WeakPolarHBondContact O-CG 3.49Å
454L86.2Confident91.4Very high105 Ų10591.2 Ų91.255%0.5550%0.504SS..Hα-helixtrans-92.3-41.6-178.8-167.485.7000112.2F439 A450 A458F439-L454 HydrophobicContact CE2-CD1 4.35Å; F439-L454 HydrophobicContact CZ-CD1 4.47Å; F439-L454 HydrophobicContact CZ-CD2 4.06Å; A450-L454 VanDerWaalsContact O-CB 3.3Å; A450-L454 WeakPolarHBondContact O-CB 3.35Å; A450-L454 PolarHBondContact O-N 2.79Å; L454-A458 WeakPolarHBondContact O-CB 3.37Å; L454-A458 PolarHBondContact O-N 3.18Å
455G88Confident91.3Very high16 Ų1689.4 Ų89.417%0.16549%0.493CS..Hα-helixtrans-70.4-39-173.100000112.9L451 A458 L459L451-G455 WeakPolarHBondContact O-CA 3.34Å; L451-G455 PolarHBondContact O-N 2.71Å; G455-A458 PolarHBondContact O-N 3.07Å; G455-L459 VanDerWaalsContact O-CB 3.3Å; G455-L459 WeakPolarHBondContact O-CB 3.33Å; G455-L459 VanDerWaalsContact O-CG 3.23Å; G455-L459 WeakPolarHBondContact O-CG 3.22Å; G455-L459 PolarHBondContact O-N 3.24Å
456V89.5Confident91.1Very high74 Ų7491.9 Ų91.945%0.44849%0.492SS..Hα-helixtrans-65-50.8179.2175.10000111.5L452 A458 L459 M460L452-V456 HydrophobicContact CG-CG2 4.46Å; L452-V456 WeakPolarHBondContact O-CB 3.26Å; L452-V456 WeakPolarHBondContact O-CG2 3.47Å; L452-V456 PolarHBondContact O-N 3.16Å; V456-A458 PolarHBondContact O-N 2.97Å; V456-L459 PolarHBondContact O-N 3.1Å; V456-M460 HydrophobicContact CG1-SD 4.46Å; V456-M460 WeakPolarHBondContact O-CG 2.95Å; V456-M460 PolarHBondContact O-N 3.23Å
457P93Very high90.8Very high72 Ų7289.3 Ų89.347%0.46849%0.49SS..Hα-helixtrans-62.6-38.2173.7-24.435.8000113.5I453 L459 M460 F461I453-P457 WeakPolarHBondContact O-CD 3.49Å; I453-P457 VanDerWaalsContact O-CG 3.28Å; I453-P457 WeakPolarHBondContact O-CG 3.49Å; P457-L459 VanDerWaalsContact C-N 3.34Å; P457-L459 PolarHBondContact O-N 3.02Å; P457-M460 PolarHBondContact O-N 3.07Å; P457-F461 VanDerWaalsContact O-CB 3.31Å; P457-F461 WeakPolarHBondContact O-CB 3.23Å; P457-F461 PolarHBondContact O-N 3.18Å
458A90.9Very high90.5Very high53 Ų5389.2 Ų89.244%0.43849%0.49SS..Hα-helixtrans-64.2-38.8176.800000112L454 G455 V456 F461 S462L454-A458 WeakPolarHBondContact O-CB 3.37Å; L454-A458 PolarHBondContact O-N 3.18Å; G455-A458 PolarHBondContact O-N 3.07Å; V456-A458 PolarHBondContact O-N 2.97Å; A458-F461 PolarHBondContact O-N 2.84Å; A458-S462 VanDerWaalsContact O-CB 3.22Å; A458-S462 WeakPolarHBondContact O-CB 3.32Å; A458-S462 PolarHBondContact O-N 3.12Å
459L92.8Very high90.2Very high129 Ų12986.1 Ų86.168%0.67548%0.479SS*.Hα-helixtrans-66.9-43174-77.2172.5000111.7G455 V456 P457 S462 G463G455-L459 VanDerWaalsContact O-CB 3.3Å; G455-L459 WeakPolarHBondContact O-CB 3.33Å; G455-L459 VanDerWaalsContact O-CG 3.23Å; G455-L459 WeakPolarHBondContact O-CG 3.22Å; G455-L459 PolarHBondContact O-N 3.24Å; V456-L459 PolarHBondContact O-N 3.1Å; P457-L459 VanDerWaalsContact C-N 3.34Å; P457-L459 PolarHBondContact O-N 3.02Å; L459-S462 PolarHBondContact O-N 2.99Å; L459-G463 PolarHBondContact O-N 3.28Å
460M93.8Very high89.8Confident128 Ų12884.8 Ų84.863%0.63148%0.476SS*.Hα-helixtrans-61.9-44.7174.7-70.4-1757400111.4V456 P457 G463 I464V456-M460 HydrophobicContact CG1-SD 4.46Å; V456-M460 WeakPolarHBondContact O-CG 2.95Å; V456-M460 PolarHBondContact O-N 3.23Å; P457-M460 PolarHBondContact O-N 3.07Å; M460-G463 PolarHBondContact O-N 2.65Å; M460-I464 VanDerWaalsContact O-CG1 3.32Å; M460-I464 WeakPolarHBondContact O-CG1 3.43Å; M460-I464 PolarHBondContact O-N 2.85Å
461F93.4Very high88.9Confident142 Ų14288.9 Ų88.962%0.62350%0.496SS*.Hα-helixtrans-65.3-44.2178.2-170.6-96.3000111.6P457 A458 G463 I464 V465P457-F461 VanDerWaalsContact O-CB 3.31Å; P457-F461 WeakPolarHBondContact O-CB 3.23Å; P457-F461 PolarHBondContact O-N 3.18Å; A458-F461 PolarHBondContact O-N 2.84Å; F461-G463 VanDerWaalsContact C-N 3.26Å; F461-G463 PolarHBondContact O-N 3.45Å; F461-I464 PolarHBondContact O-N 2.82Å; F461-V465 HydrophobicContact CD1-CG2 4.04Å; F461-V465 HydrophobicContact CE1-CG2 3.7Å; F461-V465 HydrophobicContact CZ-CG2 4.11Å; F461-V465 WeakPolarHBondContact O-CG2 3.23Å; F461-V465 PolarHBondContact O-N 3.31Å
462S91.3Very high87.8Confident75 Ų7589.1 Ų89.152%0.52450%0.498SS..Hα-helixtrans-59-39.3172.5-1750000111.7A458 L459 Y466A458-S462 VanDerWaalsContact O-CB 3.22Å; A458-S462 WeakPolarHBondContact O-CB 3.32Å; A458-S462 PolarHBondContact O-N 3.12Å; L459-S462 PolarHBondContact O-N 2.99Å; S462-Y466 VanDerWaalsContact O-CB 3.26Å; S462-Y466 WeakPolarHBondContact O-CB 3.49Å; S462-Y466 PolarHBondContact O-N 3.18Å
463G93.4Very high86.3Confident29 Ų2986.8 Ų86.830%0.29950%0.495SS..Hα-helixtrans-65.8-41.6175.900000112.6L459 M460 F461 Y466 L467L459-G463 PolarHBondContact O-N 3.28Å; M460-G463 PolarHBondContact O-N 2.65Å; F461-G463 VanDerWaalsContact C-N 3.26Å; F461-G463 PolarHBondContact O-N 3.45Å; G463-Y466 PolarHBondContact O-N 2.85Å; G463-L467 WeakPolarHBondContact O-CB 3.12Å; G463-L467 VanDerWaalsContact O-CG 3.24Å; G463-L467 WeakPolarHBondContact O-CG 3.33Å; G463-L467 PolarHBondContact O-N 3.37Å
464I93Very high84.7Confident97 Ų9786.7 Ų86.750%0.49750%0.495SS..Hα-helixtrans-64.4-47.7175.2-66.9162.7000110.5M460 F461 Y466 L467 C468M460-I464 VanDerWaalsContact O-CG1 3.32Å; M460-I464 WeakPolarHBondContact O-CG1 3.43Å; M460-I464 PolarHBondContact O-N 2.85Å; F461-I464 PolarHBondContact O-N 2.82Å; I464-Y466 VanDerWaalsContact C-N 3.31Å; I464-Y466 PolarHBondContact O-N 2.99Å; I464-L467 PolarHBondContact O-N 3.3Å; I464-C468 WeakPolarHBondContact O-CB 3.36Å; I464-C468 PolarHBondContact O-N 3.15Å; I464-C468 PolarHBondContact O-SG 2.94Å; I464-C468 VanDerWaalsContact O-SG 3.33Å
465V90.7Very high83.3Confident67 Ų6789.6 Ų89.641%0.40650%0.5SS..Hα-helixtrans-60.3-43.8177.6172.40000110.6F461 C468 C469F461-V465 HydrophobicContact CD1-CG2 4.04Å; F461-V465 HydrophobicContact CE1-CG2 3.7Å; F461-V465 HydrophobicContact CZ-CG2 4.11Å; F461-V465 WeakPolarHBondContact O-CG2 3.23Å; F461-V465 PolarHBondContact O-N 3.31Å; V465-C468 PolarHBondContact O-N 3.47Å; V465-C469 PolarHBondContact O-N 3.33Å; V465-C469 PolarHBondContact O-SG 3.21Å
466Y90.7Very high81.6Confident155 Ų15591.9 Ų91.961%0.60852%0.517SS*.Hα-helixtrans-60.1-47.2175.4178.2-99.8000111.9S462 G463 I464 C468 C469 C470S462-Y466 VanDerWaalsContact O-CB 3.26Å; S462-Y466 WeakPolarHBondContact O-CB 3.49Å; S462-Y466 PolarHBondContact O-N 3.18Å; G463-Y466 PolarHBondContact O-N 2.85Å; I464-Y466 VanDerWaalsContact C-N 3.31Å; I464-Y466 PolarHBondContact O-N 2.99Å; Y466-C468 PolarHBondContact O-N 3.43Å; Y466-C469 PolarHBondContact O-N 3.47Å; Y466-C470 VanDerWaalsContact CE2-SG 3.59Å; Y466-C470 WeakPolarHBondContact O-CB 3.02Å; Y466-C470 PolarHBondContact O-N 2.88Å; Y466-C470 PolarHBondContact O-SG 2.84Å
467L88.2Confident79.8Confident102 Ų10292.4 Ų92.453%0.53452%0.521SS..Hα-helixtrans-61.8-41.6176.5-73.1170.4000112G463 I464 C470 L471G463-L467 WeakPolarHBondContact O-CB 3.12Å; G463-L467 VanDerWaalsContact O-CG 3.24Å; G463-L467 WeakPolarHBondContact O-CG 3.33Å; G463-L467 PolarHBondContact O-N 3.37Å; I464-L467 PolarHBondContact O-N 3.3Å; L467-C470 PolarHBondContact O-N 2.9Å; L467-L471 WeakPolarHBondContact O-CB 3.45Å; L467-L471 WeakPolarHBondContact O-CD1 3.37Å; L467-L471 WeakPolarHBondContact O-CG 3.43Å; L467-L471 PolarHBondContact O-N 3.46Å
468C85.5Confident77.8Confident75 Ų7597.4 Ų97.451%0.50753%0.532SS..Hα-helixtrans-60.7-47.4174.6-71.80000111.2I464 V465 Y466 C470 L471 D472I464-C468 WeakPolarHBondContact O-CB 3.36Å; I464-C468 PolarHBondContact O-N 3.15Å; I464-C468 PolarHBondContact O-SG 2.94Å; I464-C468 VanDerWaalsContact O-SG 3.33Å; V465-C468 PolarHBondContact O-N 3.47Å; Y466-C468 PolarHBondContact O-N 3.43Å; C468-C470 PolarHBondContact O-N 2.98Å; C468-L471 PolarHBondContact O-N 2.62Å; C468-D472 WeakPolarHBondContact O-CB 3.49Å; C468-D472 PolarHBondContact O-N 3.44Å
469C84.2Confident75.7Confident80 Ų80102.1 Ų102.154%0.54155%0.55SS..Hα-helixtrans-64.8-37.7177.6-65.90000112.8V465 Y466 A473V465-C469 PolarHBondContact O-N 3.33Å; V465-C469 PolarHBondContact O-SG 3.21Å; Y466-C469 PolarHBondContact O-N 3.47Å; C469-A473 PolarHBondContact O-N 2.84Å
470C83.7Confident73.6Confident46 Ų46102.7 Ų102.731%0.31155%0.553SS.*Hα-helixtrans-73.9-35.6177.6-70.70000112.8Y466 L467 C468 A473 N474Y466-C470 VanDerWaalsContact CE2-SG 3.59Å; Y466-C470 WeakPolarHBondContact O-CB 3.02Å; Y466-C470 PolarHBondContact O-N 2.88Å; Y466-C470 PolarHBondContact O-SG 2.84Å; L467-C470 PolarHBondContact O-N 2.9Å; C468-C470 PolarHBondContact O-N 2.98Å; C470-A473 PolarHBondContact O-N 2.55Å; C470-N474 PolarHBondContact O-N 2.96Å
471L69.5Low71.2Confident92 Ų9298.9 Ų98.948%0.48255%0.547SS..Hα-helixtrans-69.9-39.7176.1-77.4163.6000111.4L467 C468 A473 N474 Y475L467-L471 WeakPolarHBondContact O-CB 3.45Å; L467-L471 WeakPolarHBondContact O-CD1 3.37Å; L467-L471 WeakPolarHBondContact O-CG 3.43Å; L467-L471 PolarHBondContact O-N 3.46Å; C468-L471 PolarHBondContact O-N 2.62Å; L471-A473 PolarHBondContact O-N 2.99Å; L471-N474 PolarHBondContact O-N 2.88Å; L471-N474 VanDerWaalsContact O-N 3.12Å; L471-Y475 WeakPolarHBondContact O-CD2 3.48Å; L471-Y475 PolarHBondContact O-N 2.96Å
472D64.7Low68.6Low127 Ų127100.5 Ų100.568%0.67956%0.556SS**Hα-helixtrans-57.7-40.6173.3-116.6-10.2000111.2C468 N474 A476C468-D472 WeakPolarHBondContact O-CB 3.49Å; C468-D472 PolarHBondContact O-N 3.44Å; D472-N474 VanDerWaalsContact C-N 3.34Å; D472-N474 PolarHBondContact O-N 2.82Å; D472-A476 PolarHBondContact O-N 2.89Å
473A58.7Low66.1Low61 Ų61103.3 Ų103.350%0.50457%0.565SS.*Hα-helixtrans-66.4-33.8176.700000113.2C469 C470 L471 T477C469-A473 PolarHBondContact O-N 2.84Å; C470-A473 PolarHBondContact O-N 2.55Å; L471-A473 PolarHBondContact O-N 2.99Å; A473-T477 PolarHBondContact O-OG1 3.28Å
474N58.1Low63.6Low95 Ų95109.2 Ų109.251%0.50859%0.59SS.*Hα-helixtrans-77.8-37178.2-86.1-0.9000112.8C470 L471 D472 A476 T477 Y478C470-N474 PolarHBondContact O-N 2.96Å; L471-N474 PolarHBondContact O-N 2.88Å; L471-N474 VanDerWaalsContact O-N 3.12Å; D472-N474 VanDerWaalsContact C-N 3.34Å; D472-N474 PolarHBondContact O-N 2.82Å; N474-A476 VanDerWaalsContact C-N 3.3Å; N474-A476 PolarHBondContact O-N 3.41Å; N474-T477 WeakPolarHBondContact CA-OG1 3.22Å; N474-T477 PolarHBondContact O-N 2.86Å; N474-T477 VanDerWaalsContact O-N 3.14Å; N474-T477 PolarHBondContact O-OG1 2.85Å; N474-Y478 WeakPolarHBondContact O-CD2 3.13Å; N474-Y478 PolarHBondContact O-N 3.35Å
475Y55.9Low61.1Low167 Ų167112.7 Ų112.766%0.65560%0.604SS**Hα-helixtrans-66.5-35.2174.8-87.3-78.9000111.9L471 T477 Y478 D479L471-Y475 WeakPolarHBondContact O-CD2 3.48Å; L471-Y475 PolarHBondContact O-N 2.96Å; Y475-T477 PolarHBondContact O-N 2.8Å; Y475-Y478 PolarHBondContact O-N 3.15Å; Y475-D479 PolarHBondContact O-N 3.4Å
476A52.4Low58.7Low64 Ų64114.9 Ų114.953%0.52961%0.613SS.*Hα-helixtrans-60.2-17.617300000113.7D472 N474D472-A476 PolarHBondContact O-N 2.89Å; N474-A476 VanDerWaalsContact C-N 3.3Å; N474-A476 PolarHBondContact O-N 3.41Å
477T52Low56.4Low85 Ų85110.4 Ų110.452%0.52161%0.605SS.*Hα-helixtrans-96-17.5175.617.80000114A473 N474 Y475A473-T477 PolarHBondContact O-OG1 3.28Å; N474-T477 WeakPolarHBondContact CA-OG1 3.22Å; N474-T477 PolarHBondContact O-N 2.86Å; N474-T477 VanDerWaalsContact O-N 3.14Å; N474-T477 PolarHBondContact O-OG1 2.85Å; Y475-T477 PolarHBondContact O-N 2.8Å
478Y51.9Low54.2Low176 Ų176111.9 Ų111.969%0.6961%0.613SS**Hα-helixtrans-85.9-23.6175.8-77-75.4000113.2N474 Y475 D480 G481N474-Y478 WeakPolarHBondContact O-CD2 3.13Å; N474-Y478 PolarHBondContact O-N 3.35Å; Y475-Y478 PolarHBondContact O-N 3.15Å; Y478-D480 PolarHBondContact O-N 3.01Å; Y478-G481 PolarHBondContact O-N 3.01Å
479D46.2Very low52.4Low153 Ų153116.4 Ų116.482%0.81862%0.621SS**THydrogen-bonded Turntrans-66.5-17.4171.1-92.1-10.8000112.6Y475 G481Y475-D479 PolarHBondContact O-N 3.4Å; D479-G481 VanDerWaalsContact C-N 3.29Å
480D48.9Very low50.7Low140 Ų140116.8 Ų116.875%0.74962%0.617SS**THydrogen-bonded Turntrans-86.21.2172.1-67.7-22.9000112.8Y478Y478-D480 PolarHBondContact O-N 3.01Å
481G42.4Very low49.1Very low48 Ų48118.2 Ų118.250%0.49562%0.621SS.*  trans-111.9-2.3-166.400000117.4Y478 D479 D483Y478-G481 PolarHBondContact O-N 3.01Å; D479-G481 VanDerWaalsContact C-N 3.29Å; G481-D483 PolarHBondContact O-N 2.82Å
482E38.7Very low48Very low176 Ų176121.9 Ų121.982%0.82263%0.63SS**  trans-79.967.8166.9-77.7-164.2172.200110.5
483D39.6Very low47.1Very low134 Ų134121 Ų12172%0.71762%0.622SS**  trans-62.6132147.6-76.2-35.8000108.3G481G481-D483 PolarHBondContact O-N 2.82Å
484D40.8Very low46.6Very low153 Ų153125.5 Ų125.582%0.81863%0.629SS**SBendtrans88.310152.1-56.3-20.8000121.4L486D484-L486 PolarHBondContact O-N 3.11Å
485Q39.6Very low46.3Very low171 Ų171127.2 Ų127.280%0.79964%0.635SS**  trans-94.566.8150.8-65.6-160.932.100109.7S487Q485-S487 VanDerWaalsContact C-N 3.26Å; Q485-S487 PolarHBondContact O-N 3.05Å
486L40.5Very low45.9Very low112 Ų112124.4 Ų124.459%0.58663%0.63SS**  trans-48.7101.2160.5-17873.1000106.7D484 N488 D490 I491D484-L486 PolarHBondContact O-N 3.11Å; L486-N488 PolarHBondContact O-N 3.17Å; L486-D490 HydrophobicContact CD1-CB 3.76Å; L486-D490 HydrophobicContact CG-CB 4.33Å; L486-I491 HydrophobicContact CD2-CD1 4.26Å; L486-I491 HydrophobicContact CD2-CG1 3.87Å
487S42.4Very low45.7Very low62 Ų62124.4 Ų124.443%0.43463%0.626SS.*  trans-56.2136.8-178.574.60000107.1Q485 Y489 D490Q485-S487 VanDerWaalsContact C-N 3.26Å; Q485-S487 PolarHBondContact O-N 3.05Å; S487-Y489 PolarHBondContact O-N 2.86Å; S487-D490 PolarHBondContact O-N 2.96Å
488N43.3Very low45.4Very low133 Ų133126.5 Ų126.571%0.71163%0.634SS**Hα-helixtrans-54.3-8.1178.1-163.215.9000113.1L486L486-N488 PolarHBondContact O-N 3.17Å
489Y47Very low45Very low169 Ų169126.2 Ų126.266%0.66364%0.639SS**Hα-helixtrans-69.2-36173.1-136.2-93.2000113.4S487 H493S487-Y489 PolarHBondContact O-N 2.86Å; Y489-H493 AromaticContact CE1-NE2 3.82Å; Y489-H493 PolarHBondContact O-N 3.15Å
490D47.6Very low44.7Very low88 Ų88128 Ų12847%0.47164%0.64SS.*Hα-helixtrans-79.8-29.3-177.1-72.9-28.1000112.8L486 S487 Y492 H493 K494L486-D490 HydrophobicContact CD1-CB 3.76Å; L486-D490 HydrophobicContact CG-CB 4.33Å; S487-D490 PolarHBondContact O-N 2.96Å; D490-Y492 VanDerWaalsContact C-N 3.31Å; D490-Y492 PolarHBondContact O-N 2.85Å; D490-H493 PolarHBondContact O-N 2.89Å; D490-K494 WeakPolarHBondContact O-CB 3.28Å; D490-K494 PolarHBondContact O-N 2.93Å; D490-K494 VanDerWaalsContact O-N 3.08Å
491I50.1Low44.1Very low77 Ų77128.2 Ų128.240%0.39564%0.639SS.*Hα-helixtrans-64.1-41.1173.5-61.6177.3000109.8L486 H493 K494 E495L486-I491 HydrophobicContact CD2-CD1 4.26Å; L486-I491 HydrophobicContact CD2-CG1 3.87Å; I491-H493 VanDerWaalsContact C-N 3.34Å; I491-H493 PolarHBondContact O-N 3.28Å; I491-K494 PolarHBondContact O-N 3.49Å; I491-E495 PolarHBondContact O-N 3.44Å; I491-E495 VanDerWaalsContact O-N 3.09Å
492Y47.6Very low43.8Very low169 Ų169134.2 Ų134.266%0.66366%0.658SS**Hα-helixtrans-65.3-36.1-179.2-148.8-91.3000112.8D490 L496D490-Y492 VanDerWaalsContact C-N 3.31Å; D490-Y492 PolarHBondContact O-N 2.85Å; Y492-L496 PolarHBondContact O-N 3.43Å
493H46.3Very low43.5Very low109 Ų109128.9 Ų128.951%0.50565%0.65SS.*Hα-helixtrans-77.9-27.7176.8-82.2-67.1000113.6Y489 D490 I491 S497Y489-H493 AromaticContact CE1-NE2 3.82Å; Y489-H493 PolarHBondContact O-N 3.15Å; D490-H493 PolarHBondContact O-N 2.89Å; I491-H493 VanDerWaalsContact C-N 3.34Å; I491-H493 PolarHBondContact O-N 3.28Å; H493-S497 PolarHBondContact O-N 3.25Å; H493-S497 PolarHBondContact O-OG 2.94Å
494K47.8Very low43.1Very low154 Ų154128.8 Ų128.867%0.6766%0.655SS**Hα-helixtrans-76.7-31.8177.6-149.6171-172173.70112.7D490 I491 S497 N498D490-K494 WeakPolarHBondContact O-CB 3.28Å; D490-K494 PolarHBondContact O-N 2.93Å; D490-K494 VanDerWaalsContact O-N 3.08Å; I491-K494 PolarHBondContact O-N 3.49Å; K494-S497 PolarHBondContact O-OG 3.29Å; K494-S497 VanDerWaalsContact O-OG 3.12Å; K494-N498 PolarHBondContact O-N 3.45Å
495E50.9Low42.6Very low132 Ų132128.7 Ų128.762%0.61765%0.654SS**Hα-helixtrans-73.6-34.8172.8-74.3-177.9160.400112.3I491 S497I491-E495 PolarHBondContact O-N 3.44Å; I491-E495 VanDerWaalsContact O-N 3.09Å; E495-S497 PolarHBondContact O-N 3.01Å
496L48.9Very low42.2Very low108 Ų108128.2 Ų128.257%0.56566%0.657SS**Hα-helixtrans-71.5-29.1178.4-15478.4000113.1Y492Y492-L496 PolarHBondContact O-N 3.43Å
497S48.3Very low41.7Very low63 Ų63127.8 Ų127.844%0.44166%0.661SS.*Hα-helixtrans-76.6-32.8177.761.20000112.8H493 K494 E495 Q499 K500H493-S497 PolarHBondContact O-N 3.25Å; H493-S497 PolarHBondContact O-OG 2.94Å; K494-S497 PolarHBondContact O-OG 3.29Å; K494-S497 VanDerWaalsContact O-OG 3.12Å; E495-S497 PolarHBondContact O-N 3.01Å; S497-Q499 VanDerWaalsContact C-N 3.28Å; S497-Q499 PolarHBondContact O-N 3.21Å; S497-K500 PolarHBondContact O-N 3.04Å
498N43.7Very low41.2Very low130 Ų130133.2 Ų133.270%0.69568%0.683SS**Hα-helixtrans-71.8-17.6178-82.8-11.6000114.2K494K494-N498 PolarHBondContact O-N 3.45Å
499Q45Very low40.6Very low170 Ų170130.3 Ų130.379%0.79469%0.685SS**THydrogen-bonded Turntrans-87.4-4.4177.7-96.1-176.2-9.800115.2S497S497-Q499 VanDerWaalsContact C-N 3.28Å; S497-Q499 PolarHBondContact O-N 3.21Å
500K39.2Very low39.6Very low189 Ų189130 Ų13082%0.82270%0.695SS**SBendtrans-106.57.2-173.3-110.6179.6179.9179.40116.7S497S497-K500 PolarHBondContact O-N 3.04Å
501I37.4Very low38.7Very low145 Ų145137.5 Ų137.574%0.74472%0.717SS**  trans-104.136.2-177.3-40.4-179.1000112.6
502I34.2Very low37.7Very low175 Ų175139 Ų13990%0.89773%0.734SS**  trans-133.891.4164.1-53.4177.1000107.9
503G33.3Very low36.9Very low63 Ų63138.9 Ų138.965%0.64974%0.743SS**  trans174.973-179.700000114.2
504T31.6Very low36.3Very low132 Ų132139.9 Ų139.981%0.8176%0.756SS**  trans40.1110.4142.560.40000120
505D30Very low35.3Very low151 Ų151139.7 Ų139.781%0.80776%0.763SS**  trans10.8117.4134.4-57.7-32.2000118.4
506N30.7Very low34.5Very low161 Ų161139 Ų13986%0.86177%0.773SS**  -160.6137.2127.5-102.4-29.2000111.9
507P31.2Very low33.4Very low104 Ų104141.6 Ų141.668%0.67579%0.787SS**  trans-92.5163.5-176.837.2-33.1000112.3
508I30.7Very low32.6Very low175 Ų175143.2 Ų143.290%0.89780%0.798SS**  trans147.2124143.2-74.1153.5000109.8
509G30.7Very low31.8Very low73 Ų73142.7 Ų142.775%0.75381%0.805SS**  trans137.182.5150.500000116.5
510D26.5Very low31Very low162 Ų162144.6 Ų144.687%0.86681%0.806SS**  trans-48.1137.4166.5-66.9-52.2000114.1
511R29.7Very low30.5Very low246 Ų246143.5 Ų143.593%0.92881%0.809SS**  trans-146.2113.1143.2-75.6-161.8174.6167.9-1.3111.4
512S27.8Very low30.2Very low107 Ų107144 Ų14475%0.74881%0.812SS**  trans-62.2134.7170.154.40000113.3
513I32.2Very low29.8Very low167 Ų167141.1 Ų141.186%0.85681%0.808SS**  trans-135.5127.1152.8-62.4-177.7000107.2
514V32.8Very low29.6Very low130 Ų130144.6 Ų144.679%0.78882%0.817SS**  trans-85.6130-167.51690000110.7
515D27.4Very low29.2Very low151 Ų151144 Ų14481%0.80782%0.818SS**  trans-73.6143.3165.4-74.7-44.5000111.5
516S32.5Very low29.1Very low117 Ų117142.3 Ų142.382%0.81882%0.818SS**  trans-150.983.5157.9580000110.7
517N25.8Very low28.8Very low163 Ų163140.1 Ų140.187%0.87282%0.815SS**  trans-89.7129.1156.8-85.1-30000108.3
518S31.9Very low28.7Very low96 Ų96140.6 Ų140.667%0.67182%0.821SS**  trans-173.8107.4154.9168.20000111.4
519S27.2Very low28.5Very low119 Ų119138.5 Ų138.583%0.83282%0.822SS**  trans-70.7125.2162.4500000111
520Y29.2Very low28.3Very low210 Ų210138.6 Ų138.682%0.82482%0.823SS**  trans-120.9125.8166.3-105.6-92.7000110.1
521L27.9Very low28.2Very low167 Ų167137 Ų13787%0.87482%0.824SS**  trans-78.3125.7170.3-72159.2000108.3
522D30.7Very low28.1Very low154 Ų154128.5 Ų128.582%0.82481%0.813SS**  trans-124110.9164-95.3-26.2000109.5
523S27.1Very low28Very low115 Ų115132 Ų13280%0.80482%0.822SS**  trans-102.1110.2167.3500000108.1
524T28.2Very low27.8Very low137 Ų137129.6 Ų129.684%0.8482%0.82SS**  trans-127.6121.1167.248.20000110.9
525S23.1Very low27.5Very low118 Ų118127.3 Ų127.383%0.82582%0.815SS**  trans-85.8133.6170.5520000110.3
526S28.6Very low27.3Very low116 Ų116126.7 Ų126.781%0.81182%0.816SS**  trans-167.2131.1145.456.20000112.4
527S24Very low27Very low115 Ų115130.5 Ų130.580%0.80482%0.818SS**  trans-37139.7166.551.90000117.6
528S29.4Very low26.9Very low115 Ų115129 Ų12980%0.80482%0.816SS**  trans-159.2118.5133.563.10000110.8
529S25.2Very low26.6Very low130 Ų130131 Ų13191%0.90982%0.817SS**  trans-60.9123.716648.70000111.1
530G27.5Very low26.4Very low75 Ų75133.1 Ų133.177%0.77381%0.813SS**  trans-141.491.117000000109.2G532G530-G532 PolarHBondContact O-N 3.47Å
531S24.7Very low26.2Very low128 Ų128132.3 Ų132.390%0.89582%0.815SS**  trans-65.4113.5169.650.60000109.8
532G27.5Very low26.1Very low68 Ų68132 Ų13270%0.70181%0.809SS**  trans-142.176.8173.600000109.8G530 S534G530-G532 PolarHBondContact O-N 3.47Å; G532-S534 PolarHBondContact O-N 3.3Å
533I25.3Very low25.9Very low181 Ų181131.3 Ų131.393%0.92881%0.805SS**  trans-67.398.3166.1-62.3170.2000105.9
534S27.3Very low25.8Very low116 Ų116133.6 Ų133.681%0.81181%0.805SS**  trans-116.1125.8168.4-161.70000109G532G532-S534 PolarHBondContact O-N 3.3Å
535A26.8Very low25.8Very low82 Ų82135.1 Ų135.168%0.67880%0.802SS**  trans-55.2139.1-166.300000113.5K537A535-K537 PolarHBondContact O-N 2.81Å
536T24.6Very low26.1Very low138 Ų138135.9 Ų135.985%0.84780%0.797SS**  trans-38.5106.4158.22.20000110.2T538T536-T538 PolarHBondContact O-N 3.47Å
537K25.1Very low26Very low197 Ų197134.9 Ų134.986%0.85779%0.79SS**  trans-67.598.5169.5-109.2178.6177.1175.90108.1A535 I539A535-K537 PolarHBondContact O-N 2.81Å; K537-I539 PolarHBondContact O-N 3.42Å
538T23.7Very low26.4Very low133 Ų133134.1 Ų134.182%0.81678%0.782SS**  trans-58104.9161.1-38.50000107.1T536 H540T536-T538 PolarHBondContact O-N 3.47Å; T538-H540 PolarHBondContact O-N 2.94Å
539I26Very low26.6Very low137 Ų137132.8 Ų132.870%0.70377%0.771SS**  trans-71.2102.9175.1-65.1172.1000106.3K537 F541K537-I539 PolarHBondContact O-N 3.42Å; I539-F541 PolarHBondContact O-N 2.94Å
540H23.3Very low27.1Very low163 Ų163135.9 Ų135.976%0.75576%0.763SS**  trans-51.4101.9164-108.7-61000108.3T538 Q542T538-H540 PolarHBondContact O-N 2.94Å; H540-Q542 PolarHBondContact O-N 3.33Å
541F24.7Very low27.3Very low194 Ų194143.4 Ų143.485%0.85177%0.768SS**  trans-71.288.7159.5-103.4-89.1000106.6I539I539-F541 PolarHBondContact O-N 2.94Å
542Q25.7Very low28.1Very low161 Ų161145.6 Ų145.675%0.75276%0.756SS**  trans-60135.9174.5-119.6154-31.100110H540 M544H540-Q542 PolarHBondContact O-N 3.33Å; Q542-M544 PolarHBondContact O-N 2.97Å
543D25.5Very low28.5Very low138 Ų138147 Ų14774%0.73874%0.741SS**  trans-4995.6-179.9-62.6-62.7000112.5H545D543-H545 PolarHBondContact O-N 2.9Å
544M26.1Very low28.9Very low163 Ų163144.2 Ų144.280%0.80372%0.724SS**  trans-72.286.8158.5-81.4-75.7-134.500107.4Q542 N546Q542-M544 PolarHBondContact O-N 2.97Å; M544-N546 PolarHBondContact O-N 2.85Å
545H26.9Very low29.4Very low169 Ų169147.4 Ų147.478%0.78272%0.718SS**  trans-57.364.2160.1-81.2-80.7000110.7D543 S547D543-H545 PolarHBondContact O-N 2.9Å; H545-S547 PolarHBondContact O-N 2.85Å; H545-S547 VanDerWaalsContact O-N 3.1Å
546N30.9Very low30Very low135 Ų135146.6 Ų146.672%0.72270%0.701SS**  trans-79.795.7165-87.4-23.3000107M544M544-N546 PolarHBondContact O-N 2.85Å
547S26.2Very low30.6Very low95 Ų95142.2 Ų142.266%0.66467%0.673SS**  trans-40130.9164-12.40000108.5H545H545-S547 PolarHBondContact O-N 2.85Å; H545-S547 VanDerWaalsContact O-N 3.1Å
548P32.5Very low31.1Very low98 Ų98136.6 Ų136.664%0.63665%0.653SS**  trans-57.7145.2-174.822.7-31.4000109.5R550P548-R550 VanDerWaalsContact C-N 3.3Å; P548-R550 PolarHBondContact O-N 2.87Å
549P33.5Very low31.6Very low88 Ų88139.2 Ų139.257%0.57165%0.647SS**  trans-68.983.9-16926.3-32.8000111.6R551 R552P549-R551 PolarHBondContact O-N 2.71Å; P549-R551 VanDerWaalsContact O-N 3.13Å; P549-R552 PolarHBondContact O-N 3.49Å; P549-R552 VanDerWaalsContact O-N 3.12Å
550R35.1Very low32.1Very low194 Ų194133.9 Ų133.973%0.73262%0.62SS**Hα-helixtrans-52.8-31.1-178.8-76.9177.2170.4168.7-3.5113.8P548P548-R550 VanDerWaalsContact C-N 3.3Å; P548-R550 PolarHBondContact O-N 2.87Å
551R32.9Very low32.6Very low233 Ų233126.6 Ų126.688%0.87959%0.587SS**Hα-helixtrans-76-21.8-179.4-97-178.3172.6176.8-1.7114.6P549P549-R551 PolarHBondContact O-N 2.71Å; P549-R551 VanDerWaalsContact O-N 3.13Å
552R40.7Very low32.8Very low174 Ų174123.7 Ų123.766%0.65758%0.581SS**Hα-helixtrans-77.1-40.5-177.5-103.6-175.5-174.41672.7112.7P549 H554 R555 E556P549-R552 PolarHBondContact O-N 3.49Å; P549-R552 VanDerWaalsContact O-N 3.12Å; R552-H554 VanDerWaalsContact C-N 3.3Å; R552-H554 PolarHBondContact O-N 2.66Å; R552-R555 PolarHBondContact O-N 3.16Å; R552-E556 PolarHBondContact O-N 3.37Å
553Y35.2Very low33.1Very low97 Ų97121.6 Ų121.638%0.3857%0.569SS.*Hα-helixtrans-56.1-42.7179.6-92.4-82000112.6T381 E383 R555 E556 V557T381-Y553 HydrophobicContact CG2-CE1 4.32Å; E383-Y553 PolarHBondContact OE1-OH 2.92Å; E383-Y553 PolarHBondContact OE2-OH 3.02Å; E383-Y553 VanDerWaalsContact OE2-OH 3.09Å; Y553-R555 PolarHBondContact O-N 3.47Å; Y553-E556 PolarHBondContact O-N 3.46Å; Y553-V557 WeakPolarHBondContact O-CG2 3.49Å; Y553-V557 PolarHBondContact O-N 3.39Å
554H34.7Very low33.3Very low124 Ų124122 Ų12257%0.57457%0.572SS**Hα-helixtrans-59.2-43.6179.5-16758.2000112.6R552 L558R552-H554 VanDerWaalsContact C-N 3.3Å; R552-H554 PolarHBondContact O-N 2.66Å; H554-L558 WeakPolarHBondContact NE2-CD1 3.48Å; H554-L558 WeakPolarHBondContact O-CB 3.3Å; H554-L558 WeakPolarHBondContact O-CD1 3.27Å; H554-L558 WeakPolarHBondContact O-CG 3.39Å; H554-L558 PolarHBondContact O-N 3.49Å; H554-L558 VanDerWaalsContact O-N 3.17Å
555R36.7Very low33.7Very low182 Ų182116.5 Ų116.569%0.68755%0.545SS*.Hα-helixtrans-70.2-33.5179.7-92.6-176176.5165.9-0.3113.2R552 Y553 R559R552-R555 PolarHBondContact O-N 3.16Å; Y553-R555 PolarHBondContact O-N 3.47Å; R555-R559 VanDerWaalsContact O-CB 3.24Å; R555-R559 WeakPolarHBondContact O-CB 3.38Å; R555-R559 VanDerWaalsContact O-CG 3.27Å; R555-R559 WeakPolarHBondContact O-CG 3.48Å; R555-R559 PolarHBondContact O-N 3.23Å
556E39.7Very low34.3Very low66 Ų66114.5 Ų114.531%0.30854%0.536SS..Hα-helixtrans-76.6-39-179.5-79.9-179.5176.900112.5R552 Y553 R559 N560R552-E556 PolarHBondContact O-N 3.37Å; Y553-E556 PolarHBondContact O-N 3.46Å; E556-R559 PolarHBondContact O-N 3.05Å; E556-N560 WeakPolarHBondContact O-CB 3.47Å; E556-N560 PolarHBondContact O-N 2.92Å
557V38.3Very low34.8Very low45 Ų45114 Ų11427%0.27353%0.533SS..Hα-helixtrans-62.9-48.8173.6176.90000110.1Y553 R559 N560 S561Y553-V557 WeakPolarHBondContact O-CG2 3.49Å; Y553-V557 PolarHBondContact O-N 3.39Å; V557-R559 PolarHBondContact O-N 3.36Å; V557-N560 PolarHBondContact O-N 2.62Å; V557-S561 WeakPolarHBondContact O-CB 3.43Å; V557-S561 PolarHBondContact O-N 3.11Å; V557-S561 PolarHBondContact O-OG 3.19Å
558L34.6Very low35.7Very low80 Ų80110 Ų11042%0.41950%0.504SS..Hα-helixtrans-63.3-36.9177.2-76.5165.6000113.4H554 S561 N562H554-L558 WeakPolarHBondContact NE2-CD1 3.48Å; H554-L558 WeakPolarHBondContact O-CB 3.3Å; H554-L558 WeakPolarHBondContact O-CD1 3.27Å; H554-L558 WeakPolarHBondContact O-CG 3.39Å; H554-L558 PolarHBondContact O-N 3.49Å; H554-L558 VanDerWaalsContact O-N 3.17Å; L558-S561 PolarHBondContact O-OG 3.31Å; L558-N562 PolarHBondContact O-N 2.92Å
559R34.4Very low36.7Very low188 Ų188105.8 Ų105.871%0.70948%0.479SS*.Hα-helixtrans-70.5-33.4177.2-84.7-178.3177.3-173.8-1.9112.8R555 E556 V557R555-R559 VanDerWaalsContact O-CB 3.24Å; R555-R559 WeakPolarHBondContact O-CB 3.38Å; R555-R559 VanDerWaalsContact O-CG 3.27Å; R555-R559 WeakPolarHBondContact O-CG 3.48Å; R555-R559 PolarHBondContact O-N 3.23Å; E556-R559 PolarHBondContact O-N 3.05Å; V557-R559 PolarHBondContact O-N 3.36Å
560N35.8Very low37.7Very low25 Ų25103.7 Ų103.713%0.13447%0.465CS..Hα-helixtrans-83.9-30.6177.3-80.8-21.4000112.5I380 E556 V557 N562 K563I380-N560 HydrophobicContact CG2-CB 4.15Å; E556-N560 WeakPolarHBondContact O-CB 3.47Å; E556-N560 PolarHBondContact O-N 2.92Å; V557-N560 PolarHBondContact O-N 2.62Å; N560-N562 VanDerWaalsContact C-N 3.33Å; N560-K563 WeakPolarHBondContact O-CB 3.26Å; N560-K563 PolarHBondContact O-N 3.26Å
561S34.8Very low38.7Very low9 Ų996.1 Ų96.16%0.06344%0.44CS..Hα-helixtrans-66.7-35.5174.570.50000111.8V557 L558 K563 I565V557-S561 WeakPolarHBondContact O-CB 3.43Å; V557-S561 PolarHBondContact O-N 3.11Å; V557-S561 PolarHBondContact O-OG 3.19Å; L558-S561 PolarHBondContact O-OG 3.31Å; S561-K563 PolarHBondContact O-N 3.01Å; S561-K563 VanDerWaalsContact O-N 3.14Å; S561-I565 WeakPolarHBondContact O-CD1 3.25Å
562N29.4Very low39.9Very low133 Ų13387.2 Ų87.271%0.71141%0.407SS*.THydrogen-bonded Turntrans-70.4-4.2175-78.7-8.8000114.7L558 N560 N564L558-N562 PolarHBondContact O-N 2.92Å; N560-N562 VanDerWaalsContact C-N 3.33Å; N562-N564 PolarHBondContact O-N 3.32Å; N562-N564 VanDerWaalsContact O-N 3.1Å
563K30.3Very low41.1Very low117 Ų11782.4 Ų82.451%0.50940%0.4SS..SBendtrans-73.3104.4169.4-72.9-178.4176.9175.40107.9N560 S561 I565N560-K563 WeakPolarHBondContact O-CB 3.26Å; N560-K563 PolarHBondContact O-N 3.26Å; S561-K563 PolarHBondContact O-N 3.01Å; S561-K563 VanDerWaalsContact O-N 3.14Å; K563-I565 VanDerWaalsContact C-N 3.32Å; K563-I565 PolarHBondContact O-N 3.39Å
564N30.7Very low42.7Very low148 Ų14884 Ų8479%0.79141%0.409SS*.  trans-482.9168.5-83.3-19.2000112.7N562 Q566N562-N564 PolarHBondContact O-N 3.32Å; N562-N564 VanDerWaalsContact O-N 3.1Å; N564-Q566 PolarHBondContact O-N 3.37Å
565I35.4Very low44.8Very low47 Ų4783.8 Ų83.824%0.24141%0.412CS..  trans-63.9132177.3-60164.1000105.4L265 L266 D267 S561 K563 N567L265-I565 WeakPolarHBondContact O-CD1 3.36Å; L266-I565 HydrophobicContact CD2-CB 4.46Å; L266-I565 HydrophobicContact CD2-CG2 3.31Å; L266-I565 HydrophobicContact CG-CG2 3.7Å; D267-I565 HydrophobicContact CB-CD1 4.39Å; S561-I565 WeakPolarHBondContact O-CD1 3.25Å; K563-I565 VanDerWaalsContact C-N 3.32Å; K563-I565 PolarHBondContact O-N 3.39Å; I565-N567 PolarHBondContact O-N 3.23Å; I565-N567 VanDerWaalsContact O-N 3.17Å
566Q38.3Very low46.8Very low126 Ų12678.2 Ų78.259%0.58939%0.394SS*.  trans-59.3124.7-176.2-73.6-175.7-1.500109N564 I568N564-Q566 PolarHBondContact O-N 3.37Å; Q566-I568 PolarHBondContact O-N 2.99Å
567N40.7Very low48.7Very low125 Ų12575.3 Ų75.367%0.66838%0.38SS*.  trans-61.1109.8166-85-10.2000107.4I565I565-N567 PolarHBondContact O-N 3.23Å; I565-N567 VanDerWaalsContact O-N 3.17Å
568I47Very low50.9Low12 Ų1276.2 Ų76.26%0.06238%0.381CS..SBendtrans-67.7-30.9174.1-75.6-168.2000109.6L172 I174 F175 L242 L266 Q566L172-I568 HydrophobicContact CD2-CG2 3.34Å; I174-I568 WeakPolarHBondContact CD1-O 3.49Å; F175-I568 HydrophobicContact CD2-CG2 3.57Å; F175-I568 HydrophobicContact CE2-CB 3.83Å; F175-I568 HydrophobicContact CE2-CG1 4.28Å; F175-I568 HydrophobicContact CE2-CG2 3.11Å; F175-I568 WeakPolarHBondContact CE2-O 3.26Å; F175-I568 HydrophobicContact CZ-CB 4.12Å; F175-I568 HydrophobicContact CZ-CG1 4.17Å; F175-I568 HydrophobicContact CZ-CG2 3.85Å; L242-I568 HydrophobicContact CD2-CD1 4.06Å; L266-I568 HydrophobicContact CD1-CD1 3.32Å; L266-I568 HydrophobicContact CD1-CG1 4.19Å; Q566-I568 PolarHBondContact O-N 2.99Å
569G52.8Low53.4Low9 Ų978.1 Ų78.19%0.09339%0.386CS..SBendtrans-75.9-173.4175.700000115.2V571G569-V571 PolarHBondContact O-N 2.79Å
570P53.7Low55.7Low44 Ų4472.2 Ų72.229%0.28636%0.364SS..  trans-56.7142172.427.3-31.6000109.6S104 Y105 Y572S104-P570 WeakPolarHBondContact O-CA 3.21Å; S104-P570 WeakPolarHBondContact O-CB 3.5Å; Y105-P570 HydrophobicContact CD1-CB 4.13Å; Y105-P570 HydrophobicContact CE1-CB 3.75Å; Y105-P570 HydrophobicContact CE1-CG 4.17Å; P570-Y572 WeakPolarHBondContact CB-O 3.5Å; P570-Y572 PolarHBondContact O-N 3.2Å; P570-Y572 VanDerWaalsContact O-N 3.08Å
571V56.1Low58Low34 Ų3471.2 Ų71.221%0.20636%0.359CS..SBendtrans-57.3-31.8-173.7179.90000111.6D89 T106 G569D89-V571 HydrophobicContact CB-CG1 4.09Å; T106-V571 VanDerWaalsContact OG1-CG2 3.24Å; T106-V571 WeakPolarHBondContact OG1-CG2 3.48Å; G569-V571 PolarHBondContact O-N 2.79Å
572Y58.8Low60.4Low47 Ų4776.4 Ų76.418%0.18438%0.38CS..SBendtrans-128.6152.1176.8-63.4-61.3000109.5D89 P570 E576 L577 R580D89-Y572 HydrophobicContact CB-CE2 4.2Å; D89-Y572 WeakPolarHBondContact CB-OH 3.44Å; P570-Y572 WeakPolarHBondContact CB-O 3.5Å; P570-Y572 PolarHBondContact O-N 3.2Å; P570-Y572 VanDerWaalsContact O-N 3.08Å; Y572-E576 HydrophobicContact CD1-CG 3.64Å; Y572-E576 HydrophobicContact CE1-CG 4.44Å; Y572-E576 HydrophobicContact CG-CG 4.01Å; Y572-L577 HydrophobicContact CD2-CD1 3.97Å; Y572-R580 PolarHBondContact OH-NH1 2.92Å; Y572-R580 PolarHBondContact OH-NH2 2.83Å
573S64.8Low63.1Low72 Ų7274.1 Ų74.150%0.50337%0.368SS..  trans-57.2154.2161.565.40000109.3D575 E576 L577S573-D575 PolarHBondContact O-N 3.35Å; S573-E576 PolarHBondContact O-N 3.35Å; S573-E576 VanDerWaalsContact O-N 3.14Å; S573-E576 WeakPolarHBondContact OG-CB 3.35Å; S573-E576 PolarHBondContact OG-N 2.72Å; S573-L577 PolarHBondContact O-N 3.31Å
574K70.6Confident65.5Low131 Ų13169.4 Ų69.457%0.5735%0.35SS*.Hα-helixtrans-50.7-42.4177.9-170.3-179.8174.8-178.80111.5T102 L577 E578T102-K574 VanDerWaalsContact OG1-CE 3.31Å; T102-K574 WeakPolarHBondContact OG1-CE 3.38Å; T102-K574 WeakPolarHBondContact OG1-CG 3.39Å; K574-L577 PolarHBondContact O-N 3.11Å; K574-E578 VanDerWaalsContact O-CB 3.31Å; K574-E578 WeakPolarHBondContact O-CB 3.42Å; K574-E578 PolarHBondContact O-N 3.14Å
575D78.1Confident68Low119 Ų11966.2 Ų66.264%0.63633%0.326SS*.Hα-helixtrans-68.3-41.5-178.8-56.7-24000113S573 E578 K579S573-D575 PolarHBondContact O-N 3.35Å; D575-E578 PolarHBondContact O-N 2.9Å; D575-K579 WeakPolarHBondContact O-CB 3.43Å; D575-K579 PolarHBondContact O-N 3.44Å
576E79.4Confident70.3Confident66 Ų6666.2 Ų66.231%0.30833%0.333SS..Hα-helixtrans-69-39.3177.517459.5-161.600111Y572 S573 K579 R580Y572-E576 HydrophobicContact CD1-CG 3.64Å; Y572-E576 HydrophobicContact CE1-CG 4.44Å; Y572-E576 HydrophobicContact CG-CG 4.01Å; S573-E576 PolarHBondContact O-N 3.35Å; S573-E576 VanDerWaalsContact O-N 3.14Å; S573-E576 WeakPolarHBondContact OG-CB 3.35Å; S573-E576 PolarHBondContact OG-N 2.72Å; E576-K579 PolarHBondContact O-N 3.35Å; E576-R580 VanDerWaalsContact O-CG 3.29Å; E576-R580 WeakPolarHBondContact O-CG 3.37Å; E576-R580 PolarHBondContact O-N 3.34Å; E576-R580 IonicContact OE1-NE 3.25Å; E576-R580 PolarHBondContact OE1-NE 2.69Å; E576-R580 VanDerWaalsContact OE1-NE 3.12Å
577L78.9Confident72.3Confident5 Ų567.1 Ų67.13%0.02634%0.335CS..Hα-helixtrans-66.4-41174.3-166.664.4000111.1F88 T102 Y572 S573 K574 K579 R580 I581F88-L577 HydrophobicContact CD1-CD1 4.47Å; F88-L577 HydrophobicContact CE1-CD1 4.33Å; T102-L577 VanDerWaalsContact C-CD2 3.44Å; T102-L577 WeakPolarHBondContact O-CD2 3.41Å; Y572-L577 HydrophobicContact CD2-CD1 3.97Å; S573-L577 PolarHBondContact O-N 3.31Å; K574-L577 PolarHBondContact O-N 3.11Å; L577-K579 VanDerWaalsContact C-N 3.35Å; L577-K579 PolarHBondContact O-N 2.98Å; L577-R580 WeakPolarHBondContact O-CB 3.48Å; L577-R580 PolarHBondContact O-N 3.26Å; L577-I581 HydrophobicContact CG-CD1 4.08Å; L577-I581 VanDerWaalsContact O-CG1 3.24Å; L577-I581 WeakPolarHBondContact O-CG1 3.46Å; L577-I581 PolarHBondContact O-N 2.81Å
578E84.5Confident73.8Confident64 Ų6463.2 Ų63.230%0.29931%0.314SS..Hα-helixtrans-60.2-44.3175.5-170.3-179.4160.500111.8T102 K574 D575 R580 I581 K582T102-E578 HydrophobicContact CG2-CB 3.82Å; T102-E578 HydrophobicContact CG2-CG 3.95Å; K574-E578 VanDerWaalsContact O-CB 3.31Å; K574-E578 WeakPolarHBondContact O-CB 3.42Å; K574-E578 PolarHBondContact O-N 3.14Å; D575-E578 PolarHBondContact O-N 2.9Å; E578-R580 VanDerWaalsContact C-N 3.34Å; E578-R580 PolarHBondContact O-N 3.49Å; E578-I581 PolarHBondContact O-N 3.35Å; E578-K582 HydrophobicContact CG-CD 4.45Å; E578-K582 WeakPolarHBondContact O-CG 2.99Å; E578-K582 PolarHBondContact O-N 2.98Å; E578-K582 WeakPolarHBondContact OE1-CE 3.03Å; E578-K582 IonicContact OE1-NZ 4Å; E578-K582 PolarHBondContact OE1-NZ 3.19Å
579K87.2Confident75.3Confident120 Ų12070.9 Ų70.952%0.52235%0.347SS..Hα-helixtrans-58-46.7174.3-175.5-175.8176.9-176.50111.3D575 E576 L577 I581 K582 D583D575-K579 WeakPolarHBondContact O-CB 3.43Å; D575-K579 PolarHBondContact O-N 3.44Å; E576-K579 PolarHBondContact O-N 3.35Å; L577-K579 VanDerWaalsContact C-N 3.35Å; L577-K579 PolarHBondContact O-N 2.98Å; K579-I581 VanDerWaalsContact C-N 3.34Å; K579-I581 PolarHBondContact O-N 2.9Å; K579-K582 PolarHBondContact O-N 2.82Å; K579-D583 PolarHBondContact O-N 3.33Å
580R82.9Confident76.4Confident64 Ų6479.3 Ų79.324%0.24238%0.381CS..Hα-helixtrans-62.1-38.9176.6-73.4172157.1-124.2-1.5112.9K86 M87 Y572 E576 L577 E578 S584K86-R580 PolarHBondContact O-NH1 3.04Å; M87-R580 HydrophobicContact CG-CB 4.25Å; M87-R580 PolarHBondContact O-NH1 2.91Å; Y572-R580 PolarHBondContact OH-NH1 2.92Å; Y572-R580 PolarHBondContact OH-NH2 2.83Å; E576-R580 VanDerWaalsContact O-CG 3.29Å; E576-R580 WeakPolarHBondContact O-CG 3.37Å; E576-R580 PolarHBondContact O-N 3.34Å; E576-R580 IonicContact OE1-NE 3.25Å; E576-R580 PolarHBondContact OE1-NE 2.69Å; E576-R580 VanDerWaalsContact OE1-NE 3.12Å; L577-R580 WeakPolarHBondContact O-CB 3.48Å; L577-R580 PolarHBondContact O-N 3.26Å; E578-R580 VanDerWaalsContact C-N 3.34Å; E578-R580 PolarHBondContact O-N 3.49Å; R580-S584 WeakPolarHBondContact O-CB 3.36Å; R580-S584 PolarHBondContact O-N 3.13Å; R580-S584 PolarHBondContact O-OG 3.22Å
581I82.9Confident77.1Confident4 Ų484.8 Ų84.82%0.02140%0.403CS..Hα-helixtrans-63.8-42.6173.6-66159.9000110.6I33 M87 G101 T102 L577 E578 K579 S584 R585I33-I581 HydrophobicContact CD1-CD1 4.38Å; M87-I581 HydrophobicContact CE-CB 3.71Å; M87-I581 HydrophobicContact CE-CD1 4.39Å; M87-I581 HydrophobicContact CE-CG1 3.08Å; M87-I581 HydrophobicContact CE-CG2 4.34Å; G101-I581 WeakPolarHBondContact O-CD1 3.31Å; T102-I581 HydrophobicContact CG2-CD1 3.99Å; L577-I581 HydrophobicContact CG-CD1 4.08Å; L577-I581 VanDerWaalsContact O-CG1 3.24Å; L577-I581 WeakPolarHBondContact O-CG1 3.46Å; L577-I581 PolarHBondContact O-N 2.81Å; E578-I581 PolarHBondContact O-N 3.35Å; K579-I581 VanDerWaalsContact C-N 3.34Å; K579-I581 PolarHBondContact O-N 2.9Å; I581-S584 PolarHBondContact O-OG 3.23Å; I581-R585 WeakPolarHBondContact O-CB 3.42Å; I581-R585 VanDerWaalsContact O-CG 3.27Å; I581-R585 WeakPolarHBondContact O-CG 3.41Å; I581-R585 PolarHBondContact O-N 2.99Å
582K86.1Confident77.6Confident118 Ų11889.6 Ų89.651%0.51345%0.446SS..Hα-helixtrans-65.6-44.4177.3-73.7175.1-176.6167.10111.8E578 K579 S584 R585 A586E578-K582 HydrophobicContact CG-CD 4.45Å; E578-K582 WeakPolarHBondContact O-CG 2.99Å; E578-K582 PolarHBondContact O-N 2.98Å; E578-K582 WeakPolarHBondContact OE1-CE 3.03Å; E578-K582 IonicContact OE1-NZ 4Å; E578-K582 PolarHBondContact OE1-NZ 3.19Å; K579-K582 PolarHBondContact O-N 2.82Å; K582-S584 PolarHBondContact O-N 3.22Å; K582-R585 PolarHBondContact O-N 3.08Å; K582-A586 WeakPolarHBondContact O-CB 3.44Å; K582-A586 PolarHBondContact O-N 3.3Å
583D85.9Confident78.6Confident85 Ų8591.8 Ų91.846%0.45546%0.459SS..Hα-helixtrans-64.2-39.1178.8-74.1-12.8000112K579 A586 K587K579-D583 PolarHBondContact O-N 3.33Å; D583-A586 PolarHBondContact O-N 3.43Å; D583-K587 WeakPolarHBondContact O-CG 3.09Å; D583-K587 PolarHBondContact O-N 3.41Å; D583-K587 VanDerWaalsContact O-N 3.09Å
584S81.7Confident79.3Confident18 Ų1892.8 Ų92.813%0.12646%0.457CS..Hα-helixtrans-68.9-43176.2680000111.9M87 R580 I581 K582 A586 K587 L588M87-S584 VanDerWaalsContact SD-CB 3.56Å; M87-S584 PolarHBondContact SD-OG 2.85Å; R580-S584 WeakPolarHBondContact O-CB 3.36Å; R580-S584 PolarHBondContact O-N 3.13Å; R580-S584 PolarHBondContact O-OG 3.22Å; I581-S584 PolarHBondContact O-OG 3.23Å; K582-S584 PolarHBondContact O-N 3.22Å; S584-A586 VanDerWaalsContact C-N 3.31Å; S584-A586 PolarHBondContact O-N 3.49Å; S584-K587 PolarHBondContact O-N 3.39Å; S584-L588 PolarHBondContact O-N 2.87Å
585R81.9Confident79.8Confident81 Ų8190.7 Ų90.731%0.30645%0.451SS..Hα-helixtrans-57.9-41.6172.1-75.8175.7176.9167.20.2112I30 D34 I581 K582 L588 K589I30-R585 HydrophobicContact CG2-CG 3.45Å; I30-R585 VanDerWaalsContact CG2-CG 3.45Å; I30-R585 PolarHBondContact O-NE 3.27Å; I30-R585 PolarHBondContact O-NH2 2.92Å; I30-R585 VanDerWaalsContact O-NH2 3.17Å; D34-R585 IonicContact OD2-CZ 2.85Å; D34-R585 IonicContact OD2-NH1 3.12Å; D34-R585 IonicContact OD2-NH2 3.99Å; D34-R585 PolarHBondContact OD2-NH2 3.35Å; I581-R585 WeakPolarHBondContact O-CB 3.42Å; I581-R585 VanDerWaalsContact O-CG 3.27Å; I581-R585 WeakPolarHBondContact O-CG 3.41Å; I581-R585 PolarHBondContact O-N 2.99Å; K582-R585 PolarHBondContact O-N 3.08Å; R585-L588 PolarHBondContact O-N 3.13Å; R585-K589 WeakPolarHBondContact O-CG 3.48Å; R585-K589 PolarHBondContact O-N 2.62Å; R585-K589 VanDerWaalsContact O-N 3.12Å
586A84.4Confident79.9Confident46 Ų4689 Ų8938%0.3844%0.44SS..Hα-helixtrans-67-35.5178.200000112.8K582 D583 S584 K590K582-A586 WeakPolarHBondContact O-CB 3.44Å; K582-A586 PolarHBondContact O-N 3.3Å; D583-A586 PolarHBondContact O-N 3.43Å; S584-A586 VanDerWaalsContact C-N 3.31Å; S584-A586 PolarHBondContact O-N 3.49Å; A586-K590 WeakPolarHBondContact O-CG 3.47Å; A586-K590 PolarHBondContact O-N 2.68Å
587K79.8Confident79.9Confident146 Ų14690.4 Ų90.464%0.63545%0.448SS*.Hα-helixtrans-68.7-42175.1-74.7176.5-176.3177.50112.2D583 S584 K589 K590 Q591D583-K587 WeakPolarHBondContact O-CG 3.09Å; D583-K587 PolarHBondContact O-N 3.41Å; D583-K587 VanDerWaalsContact O-N 3.09Å; S584-K587 PolarHBondContact O-N 3.39Å; K587-K589 VanDerWaalsContact C-N 3.34Å; K587-K589 PolarHBondContact O-N 3.44Å; K587-K590 PolarHBondContact O-N 2.8Å; K587-K590 VanDerWaalsContact O-N 3.15Å; K587-Q591 WeakPolarHBondContact O-CG 3.47Å; K587-Q591 PolarHBondContact O-N 3.17Å
588L73.3Confident80Confident43 Ų4396.1 Ų96.123%0.22548%0.476CS..Hα-helixtrans-60.9-43.4176-73.6173.1000111.6I30 S584 R585 K590 Q591 A592I30-L588 HydrophobicContact CB-CD1 4.02Å; I30-L588 HydrophobicContact CD1-CD1 3.59Å; I30-L588 HydrophobicContact CD1-CG 4.48Å; I30-L588 HydrophobicContact CG1-CD1 4.38Å; I30-L588 HydrophobicContact CG2-CD1 4.19Å; S584-L588 PolarHBondContact O-N 2.87Å; R585-L588 PolarHBondContact O-N 3.13Å; L588-K590 PolarHBondContact O-N 3.3Å; L588-Q591 PolarHBondContact O-N 2.83Å; L588-A592 PolarHBondContact O-N 2.78Å
589K77.6Confident79.6Confident172 Ų17298.4 Ų98.475%0.74849%0.489SS*.Hα-helixtrans-64.6-18175.6-74.5-175.2178.8-172.60115.2R585 K587R585-K589 WeakPolarHBondContact O-CG 3.48Å; R585-K589 PolarHBondContact O-N 2.62Å; R585-K589 VanDerWaalsContact O-N 3.12Å; K587-K589 VanDerWaalsContact C-N 3.34Å; K587-K589 PolarHBondContact O-N 3.44Å
590K77Confident79Confident186 Ų18696.8 Ų96.881%0.80949%0.486SS*.Hα-helixtrans-90.5-18.7174.2-73.4-179.2179.2-174.10112.4A586 K587 L588A586-K590 WeakPolarHBondContact O-CG 3.47Å; A586-K590 PolarHBondContact O-N 2.68Å; K587-K590 PolarHBondContact O-N 2.8Å; K587-K590 VanDerWaalsContact O-N 3.15Å; L588-K590 PolarHBondContact O-N 3.3Å
591Q67.6Low78.7Confident160 Ų16099.5 Ų99.575%0.74851%0.507SS*.Hα-helixtrans-91.8-35.5179.6-73.8179.3-2500112K587 L588K587-Q591 WeakPolarHBondContact O-CG 3.47Å; K587-Q591 PolarHBondContact O-N 3.17Å; L588-Q591 PolarHBondContact O-N 2.83Å
592A66.7Low78.3Confident135 Ų135108.2 Ų108.2100%1.11655%0.551SS**  trans-73.50164.100000110L588L588-A592 PolarHBondContact O-N 2.78Å

Retrieved 592 of 592 residues in 800.3 ms (Link to these results)

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