A0A087XTV1_POEFO Loading...

Double PHD fingers 1

AlphaFold DB , UniProt , Accession A0A087XTV1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 408 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
1M43.8Very low41.6Very low233 Ų233120 Ų120100%1.14864%0.636SS**  01090-75.4171.8-173.200105.8
2N35Very low41.9Very low113 Ų113118.4 Ų118.460%0.60463%0.634SS**  trans-80.5130.6-153.3-67.4-23.7000111I4 E5N2-I4 PolarHBondContact O-N 2.92Å; N2-E5 PolarHBondContact O-N 3.22Å
3E38.7Very low42.2Very low174 Ų174119.7 Ų119.781%0.81363%0.634SS**Hα-helixtrans-54.2-13.8177.1-63.5-175.3153.900113.6A7E3-A7 WeakPolarHBondContact O-CB 2.91Å; E3-A7 PolarHBondContact O-N 3.06Å
4I42Very low42.3Very low138 Ų138122.6 Ų122.671%0.70863%0.633SS**Hα-helixtrans-75.5-32.3178.3-58.4174.2000112.3N2 A8N2-I4 PolarHBondContact O-N 2.92Å; I4-A8 PolarHBondContact O-N 2.97Å; I4-A8 VanDerWaalsContact O-N 3.12Å
5E38.8Very low42.1Very low144 Ų144123.7 Ų123.767%0.67363%0.626SS**Hα-helixtrans-79.9-32.9-177.9-79.2-179.4150.900112.9N2 A8 T9N2-E5 PolarHBondContact O-N 3.22Å; E5-A8 WeakPolarHBondContact O-CB 3.24Å; E5-A8 PolarHBondContact O-N 3.17Å; E5-T9 PolarHBondContact O-N 3.05Å; E5-T9 PolarHBondContact O-OG1 2.9Å
6I46.8Very low42.1Very low113 Ų113119.3 Ų119.358%0.57961%0.614SS**Hα-helixtrans-72-36.8174-60.5173.8000110.1A8 T9 L10I6-A8 VanDerWaalsContact C-N 3.28Å; I6-A8 PolarHBondContact O-N 3.06Å; I6-T9 PolarHBondContact O-N 2.97Å; I6-T9 PolarHBondContact O-OG1 3.19Å; I6-L10 HydrophobicContact CG2-CD1 3.98Å; I6-L10 WeakPolarHBondContact O-CB 3.38Å; I6-L10 WeakPolarHBondContact O-CG 3.26Å; I6-L10 PolarHBondContact O-N 2.74Å
7A38.6Very low42.4Very low57 Ų57119.1 Ų119.147%0.47161%0.614SS.*Hα-helixtrans-62.2-35.9170.900000111.7E3 H11E3-A7 WeakPolarHBondContact O-CB 2.91Å; E3-A7 PolarHBondContact O-N 3.06Å; A7-H11 WeakPolarHBondContact O-CB 3.47Å; A7-H11 PolarHBondContact O-N 3Å
8A37.8Very low42.6Very low54 Ų54120.6 Ų120.645%0.44661%0.611SS.*Hα-helixtrans-68.6-38.617700000112.9I4 E5 I6 H11 V12I4-A8 PolarHBondContact O-N 2.97Å; I4-A8 VanDerWaalsContact O-N 3.12Å; E5-A8 WeakPolarHBondContact O-CB 3.24Å; E5-A8 PolarHBondContact O-N 3.17Å; I6-A8 VanDerWaalsContact C-N 3.28Å; I6-A8 PolarHBondContact O-N 3.06Å; A8-H11 PolarHBondContact O-N 2.99Å; A8-V12 VanDerWaalsContact O-CG2 3.32Å; A8-V12 WeakPolarHBondContact O-CG2 3.41Å; A8-V12 PolarHBondContact O-N 3.18Å
9T48.4Very low42.6Very low87 Ų87117.7 Ų117.753%0.53460%0.602SS.*Hα-helixtrans-72.2-38.417760000112.2E5 I6 H11 V12 Q13E5-T9 PolarHBondContact O-N 3.05Å; E5-T9 PolarHBondContact O-OG1 2.9Å; I6-T9 PolarHBondContact O-N 2.97Å; I6-T9 PolarHBondContact O-OG1 3.19Å; T9-H11 VanDerWaalsContact C-N 3.35Å; T9-V12 PolarHBondContact O-N 2.99Å; T9-Q13 PolarHBondContact O-N 2.64Å
10L47.2Very low42.9Very low96 Ų96115.6 Ų115.650%0.50360%0.597SS.*Hα-helixtrans-68.8-33.6172.1-71.8169.2000111.8I6 Q13 Y14I6-L10 HydrophobicContact CG2-CD1 3.98Å; I6-L10 WeakPolarHBondContact O-CB 3.38Å; I6-L10 WeakPolarHBondContact O-CG 3.26Å; I6-L10 PolarHBondContact O-N 2.74Å; L10-Q13 PolarHBondContact O-N 3.47Å; L10-Y14 WeakPolarHBondContact O-CB 3.34Å; L10-Y14 PolarHBondContact O-N 3.43Å
11H40.8Very low43.3Very low111 Ų111114.1 Ų114.151%0.51459%0.589SS.*Hα-helixtrans-66.1-37.2172.6-164.2-127.1000111.1A7 A8 T9 W15A7-H11 WeakPolarHBondContact O-CB 3.47Å; A7-H11 PolarHBondContact O-N 3Å; A8-H11 PolarHBondContact O-N 2.99Å; T9-H11 VanDerWaalsContact C-N 3.35Å; H11-W15 AromaticContact CD2-CD1 3.49Å; H11-W15 VanDerWaalsContact CD2-CD1 3.49Å; H11-W15 AromaticContact CD2-NE1 3.52Å; H11-W15 AromaticContact CE1-CD1 3.58Å; H11-W15 AromaticContact CE1-CE2 3.97Å; H11-W15 AromaticContact CE1-NE1 3.08Å; H11-W15 PolarHBondContact CE1-NE1 3.46Å; H11-W15 AromaticContact CG-CD1 3.72Å; H11-W15 AromaticContact CG-NE1 3.99Å; H11-W15 AromaticContact ND1-CD1 3.76Å; H11-W15 AromaticContact ND1-NE1 3.74Å; H11-W15 AromaticContact NE2-CD1 3.39Å; H11-W15 AromaticContact NE2-NE1 2.88Å; H11-W15 PolarHBondContact NE2-NE1 3.3Å; H11-W15 WeakPolarHBondContact O-CA 3.48Å; H11-W15 WeakPolarHBondContact O-CB 3.32Å; H11-W15 PolarHBondContact O-N 3.31Å
12V44.6Very low43.5Very low101 Ų101107.9 Ų107.961%0.61256%0.56SS**Hα-helixtrans-68.7-39.6174.7172.30000112.2A8 T9 A16A8-V12 VanDerWaalsContact O-CG2 3.32Å; A8-V12 WeakPolarHBondContact O-CG2 3.41Å; A8-V12 PolarHBondContact O-N 3.18Å; T9-V12 PolarHBondContact O-N 2.99Å; V12-A16 VanDerWaalsContact O-CB 3.25Å; V12-A16 WeakPolarHBondContact O-CB 3.41Å; V12-A16 PolarHBondContact O-N 3.46Å
13Q46.7Very low44.2Very low135 Ų135104.7 Ų104.763%0.63155%0.547SS*.Hα-helixtrans-72.7-38.7176-72.2-174.7-13.700112.5T9 L10 A16 L17T9-Q13 PolarHBondContact O-N 2.64Å; L10-Q13 PolarHBondContact O-N 3.47Å; Q13-A16 PolarHBondContact O-N 3.21Å; Q13-L17 WeakPolarHBondContact O-CB 3.47Å; Q13-L17 PolarHBondContact O-N 3.5Å
14Y43.5Very low44.8Very low160 Ų160101.3 Ų101.363%0.62753%0.527SS*.Hα-helixtrans-69.1-36.1173.9-152.2-92.3000111L10 R18L10-Y14 WeakPolarHBondContact O-CB 3.34Å; L10-Y14 PolarHBondContact O-N 3.43Å; Y14-R18 WeakPolarHBondContact O-CA 3.33Å; Y14-R18 WeakPolarHBondContact O-CB 3.4Å; Y14-R18 PolarHBondContact O-N 2.88Å
15W39.1Very low45.1Very low140 Ų140102.2 Ų102.253%0.5352%0.523SS..Hα-helixtrans-71.1-32.8170.2-89.771.4000112.6H11 R18 C19H11-W15 AromaticContact CD2-CD1 3.49Å; H11-W15 VanDerWaalsContact CD2-CD1 3.49Å; H11-W15 AromaticContact CD2-NE1 3.52Å; H11-W15 AromaticContact CE1-CD1 3.58Å; H11-W15 AromaticContact CE1-CE2 3.97Å; H11-W15 AromaticContact CE1-NE1 3.08Å; H11-W15 PolarHBondContact CE1-NE1 3.46Å; H11-W15 AromaticContact CG-CD1 3.72Å; H11-W15 AromaticContact CG-NE1 3.99Å; H11-W15 AromaticContact ND1-CD1 3.76Å; H11-W15 AromaticContact ND1-NE1 3.74Å; H11-W15 AromaticContact NE2-CD1 3.39Å; H11-W15 AromaticContact NE2-NE1 2.88Å; H11-W15 PolarHBondContact NE2-NE1 3.3Å; H11-W15 WeakPolarHBondContact O-CA 3.48Å; H11-W15 WeakPolarHBondContact O-CB 3.32Å; H11-W15 PolarHBondContact O-N 3.31Å; W15-R18 PolarHBondContact O-N 2.9Å; W15-C19 WeakPolarHBondContact O-CA 3.23Å; W15-C19 WeakPolarHBondContact O-CB 3.45Å; W15-C19 PolarHBondContact O-N 3.16Å; W15-C19 PolarHBondContact O-SG 3.01Å
16A42.4Very low45.6Very low53 Ų5399.1 Ų99.144%0.43851%0.514SS..Hα-helixtrans-68.6-41.5174.100000111.2V12 Q13 C20V12-A16 VanDerWaalsContact O-CB 3.25Å; V12-A16 WeakPolarHBondContact O-CB 3.41Å; V12-A16 PolarHBondContact O-N 3.46Å; Q13-A16 PolarHBondContact O-N 3.21Å; A16-C20 VanDerWaalsContact O-CB 3.28Å; A16-C20 WeakPolarHBondContact O-CB 3.34Å; A16-C20 PolarHBondContact O-N 3.24Å; A16-C20 PolarHBondContact O-SG 3.36Å
17L46.3Very low45.6Very low116 Ų116100.5 Ų100.561%0.60752%0.516SS*.Hα-helixtrans-68.3-41.1174.2-140.981.5000111.1Q13 C20 I21Q13-L17 WeakPolarHBondContact O-CB 3.47Å; Q13-L17 PolarHBondContact O-N 3.5Å; L17-C20 PolarHBondContact O-N 3.12Å; L17-I21 WeakPolarHBondContact O-CB 3.23Å; L17-I21 WeakPolarHBondContact O-CD1 3.3Å; L17-I21 WeakPolarHBondContact O-CG1 3.13Å; L17-I21 PolarHBondContact O-N 2.82Å
18R46.2Very low46Very low146 Ų146101 Ų10155%0.55151%0.509SS*.Hα-helixtrans-74.9-30.4178.8-161174.5-174.4-171.61.6112.4Y14 W15 L22Y14-R18 WeakPolarHBondContact O-CA 3.33Å; Y14-R18 WeakPolarHBondContact O-CB 3.4Å; Y14-R18 PolarHBondContact O-N 2.88Å; W15-R18 PolarHBondContact O-N 2.9Å; R18-L22 HydrophobicContact CG-CD1 3.83Å; R18-L22 WeakPolarHBondContact O-CB 3.24Å; R18-L22 WeakPolarHBondContact O-CD1 3.43Å; R18-L22 PolarHBondContact O-N 3.48Å
19C43.6Very low46.2Very low65 Ų65100.3 Ų100.344%0.43950%0.503SS..Hα-helixtrans-74.4-32.5168.5-76.80000111.6W15 S23W15-C19 WeakPolarHBondContact O-CA 3.23Å; W15-C19 WeakPolarHBondContact O-CB 3.45Å; W15-C19 PolarHBondContact O-N 3.16Å; W15-C19 PolarHBondContact O-SG 3.01Å; C19-S23 WeakPolarHBondContact O-CA 3.3Å; C19-S23 WeakPolarHBondContact O-CB 3.45Å; C19-S23 PolarHBondContact O-N 2.88Å
20C48.4Very low46.2Very low75 Ų75100.3 Ų100.351%0.50750%0.503SS..Hα-helixtrans-67.8-42.2169.7-80.40000111.2A16 L17 S23 Y24A16-C20 VanDerWaalsContact O-CB 3.28Å; A16-C20 WeakPolarHBondContact O-CB 3.34Å; A16-C20 PolarHBondContact O-N 3.24Å; A16-C20 PolarHBondContact O-SG 3.36Å; L17-C20 PolarHBondContact O-N 3.12Å; C20-S23 PolarHBondContact O-N 3.33Å; C20-Y24 WeakPolarHBondContact O-CB 3.5Å; C20-Y24 PolarHBondContact O-N 3.45Å
21I51.1Low46Very low86 Ų8698.3 Ų98.344%0.44150%0.5SS..Hα-helixtrans-68.3-43.9174.7-68.1163.7000110.2L17 S23 Y24 Y25L17-I21 WeakPolarHBondContact O-CB 3.23Å; L17-I21 WeakPolarHBondContact O-CD1 3.3Å; L17-I21 WeakPolarHBondContact O-CG1 3.13Å; L17-I21 PolarHBondContact O-N 2.82Å; I21-S23 VanDerWaalsContact C-N 3.35Å; I21-S23 PolarHBondContact O-N 3.48Å; I21-Y24 WeakPolarHBondContact O-CB 3.21Å; I21-Y24 PolarHBondContact O-N 3.37Å; I21-Y25 HydrophobicContact CG2-CD2 3.66Å; I21-Y25 HydrophobicContact CG2-CE2 3.85Å; I21-Y25 WeakPolarHBondContact O-CB 3.43Å; I21-Y25 VanDerWaalsContact O-CD2 3.28Å; I21-Y25 WeakPolarHBondContact O-CD2 3.4Å; I21-Y25 PolarHBondContact O-N 3.47Å
22L48.5Very low46.3Very low101 Ų10198.1 Ų98.153%0.52951%0.507SS..Hα-helixtrans-66.4-34.3173.9-97.1109.7000112R18 T26R18-L22 HydrophobicContact CG-CD1 3.83Å; R18-L22 WeakPolarHBondContact O-CB 3.24Å; R18-L22 WeakPolarHBondContact O-CD1 3.43Å; R18-L22 PolarHBondContact O-N 3.48Å; L22-T26 VanDerWaalsContact O-CB 3.29Å; L22-T26 WeakPolarHBondContact O-CB 3.32Å; L22-T26 WeakPolarHBondContact O-CG2 3.44Å; L22-T26 PolarHBondContact O-N 3.41Å; L22-T26 PolarHBondContact O-OG1 3.26Å
23S49.3Very low46.2Very low47 Ų47100.5 Ų100.533%0.32951%0.511SS..Hα-helixtrans-69.3-39.4173.7-174.90000111.1C19 C20 I21 T26 K27C19-S23 WeakPolarHBondContact O-CA 3.3Å; C19-S23 WeakPolarHBondContact O-CB 3.45Å; C19-S23 PolarHBondContact O-N 2.88Å; C20-S23 PolarHBondContact O-N 3.33Å; I21-S23 VanDerWaalsContact C-N 3.35Å; I21-S23 PolarHBondContact O-N 3.48Å; S23-T26 VanDerWaalsContact CA-OG1 3.27Å; S23-T26 WeakPolarHBondContact CA-OG1 3.36Å; S23-T26 PolarHBondContact O-N 3.24Å; S23-T26 PolarHBondContact O-OG1 3.33Å; S23-K27 WeakPolarHBondContact O-CB 3.19Å; S23-K27 WeakPolarHBondContact O-CG 3.46Å; S23-K27 PolarHBondContact O-N 2.91Å
24Y51.4Low46.1Very low102 Ų102100.1 Ų100.140%0.451%0.514SS..Hα-helixtrans-63.4-47171.8179.4-96.2000110.9C20 I21 M28C20-Y24 WeakPolarHBondContact O-CB 3.5Å; C20-Y24 PolarHBondContact O-N 3.45Å; I21-Y24 WeakPolarHBondContact O-CB 3.21Å; I21-Y24 PolarHBondContact O-N 3.37Å; Y24-M28 HydrophobicContact CD1-SD 4.26Å; Y24-M28 HydrophobicContact CE1-CE 4.3Å; Y24-M28 HydrophobicContact CE1-CG 4.39Å; Y24-M28 HydrophobicContact CE1-SD 3.54Å; Y24-M28 VanDerWaalsContact CE1-SD 3.54Å; Y24-M28 HydrophobicContact CE2-CE 4.27Å; Y24-M28 HydrophobicContact CE2-SD 4.35Å; Y24-M28 VanDerWaalsContact O-CB 3.24Å; Y24-M28 WeakPolarHBondContact O-CB 3.39Å; Y24-M28 VanDerWaalsContact O-CG 3.29Å; Y24-M28 WeakPolarHBondContact O-CG 3.34Å; Y24-M28 PolarHBondContact O-N 3.02Å; Y24-M28 WeakPolarHBondContact OH-CE 3.49Å
25Y46.8Very low46Very low157 Ų15797.3 Ų97.362%0.61652%0.515SS*.Hα-helixtrans-70.8-30.7176.3-89.4-81.8000113.5I21 A29I21-Y25 HydrophobicContact CG2-CD2 3.66Å; I21-Y25 HydrophobicContact CG2-CE2 3.85Å; I21-Y25 WeakPolarHBondContact O-CB 3.43Å; I21-Y25 VanDerWaalsContact O-CD2 3.28Å; I21-Y25 WeakPolarHBondContact O-CD2 3.4Å; I21-Y25 PolarHBondContact O-N 3.47Å; Y25-A29 WeakPolarHBondContact O-CA 3.42Å; Y25-A29 WeakPolarHBondContact O-CB 3.29Å; Y25-A29 PolarHBondContact O-N 3.48Å
26T50.1Low46Very low79 Ų7998.5 Ų98.549%0.48553%0.531SS..Hα-helixtrans-79.5-32.7174.840.60000112.3L22 S23 A29 T30L22-T26 VanDerWaalsContact O-CB 3.29Å; L22-T26 WeakPolarHBondContact O-CB 3.32Å; L22-T26 WeakPolarHBondContact O-CG2 3.44Å; L22-T26 PolarHBondContact O-N 3.41Å; L22-T26 PolarHBondContact O-OG1 3.26Å; S23-T26 VanDerWaalsContact CA-OG1 3.27Å; S23-T26 WeakPolarHBondContact CA-OG1 3.36Å; S23-T26 PolarHBondContact O-N 3.24Å; S23-T26 PolarHBondContact O-OG1 3.33Å; T26-A29 PolarHBondContact O-N 3.34Å; T26-T30 WeakPolarHBondContact O-CB 3.23Å; T26-T30 WeakPolarHBondContact O-CG2 3.48Å; T26-T30 PolarHBondContact O-N 3.26Å; T26-T30 PolarHBondContact O-OG1 2.84Å
27K47.8Very low45.9Very low142 Ų142105.2 Ų105.262%0.61755%0.55SS**Hα-helixtrans-70.8-39.4169.9-73.6177178.7-177.50111.7S23 T30 A31S23-K27 WeakPolarHBondContact O-CB 3.19Å; S23-K27 WeakPolarHBondContact O-CG 3.46Å; S23-K27 PolarHBondContact O-N 2.91Å; K27-T30 VanDerWaalsContact CA-OG1 3.31Å; K27-T30 WeakPolarHBondContact CA-OG1 3.42Å; K27-T30 PolarHBondContact O-OG1 2.79Å; K27-T30 VanDerWaalsContact O-OG1 3.07Å; K27-A31 WeakPolarHBondContact O-CB 3.31Å; K27-A31 PolarHBondContact O-N 2.97Å
28M47Very low45.7Very low69 Ų69104.7 Ų104.734%0.3456%0.556SS.*Hα-helixtrans-66.7-40.3169.1-75.9-158.6144.600111.8Y24 A31 V32Y24-M28 HydrophobicContact CD1-SD 4.26Å; Y24-M28 HydrophobicContact CE1-CE 4.3Å; Y24-M28 HydrophobicContact CE1-CG 4.39Å; Y24-M28 HydrophobicContact CE1-SD 3.54Å; Y24-M28 VanDerWaalsContact CE1-SD 3.54Å; Y24-M28 HydrophobicContact CE2-CE 4.27Å; Y24-M28 HydrophobicContact CE2-SD 4.35Å; Y24-M28 VanDerWaalsContact O-CB 3.24Å; Y24-M28 WeakPolarHBondContact O-CB 3.39Å; Y24-M28 VanDerWaalsContact O-CG 3.29Å; Y24-M28 WeakPolarHBondContact O-CG 3.34Å; Y24-M28 PolarHBondContact O-N 3.02Å; Y24-M28 WeakPolarHBondContact OH-CE 3.49Å; M28-A31 PolarHBondContact O-N 3.37Å; M28-V32 VanDerWaalsContact O-CB 3.25Å; M28-V32 WeakPolarHBondContact O-CB 3.16Å; M28-V32 WeakPolarHBondContact O-CG2 3.27Å; M28-V32 PolarHBondContact O-N 3.23Å
29A41.8Very low45.4Very low38 Ų38106.1 Ų106.131%0.31457%0.569SS.*Hα-helixtrans-68.2-35176.800000112.6Y25 T26 V32 Q33Y25-A29 WeakPolarHBondContact O-CA 3.42Å; Y25-A29 WeakPolarHBondContact O-CB 3.29Å; Y25-A29 PolarHBondContact O-N 3.48Å; T26-A29 PolarHBondContact O-N 3.34Å; A29-V32 PolarHBondContact O-N 3.26Å; A29-Q33 WeakPolarHBondContact O-CB 3.39Å; A29-Q33 WeakPolarHBondContact O-CG 3.07Å; A29-Q33 PolarHBondContact O-N 3.45Å
30T47.2Very low45.4Very low87 Ų87109.1 Ų109.153%0.53459%0.591SS.*Hα-helixtrans-72.8-32.2174.542.50000112.4T26 K27T26-T30 WeakPolarHBondContact O-CB 3.23Å; T26-T30 WeakPolarHBondContact O-CG2 3.48Å; T26-T30 PolarHBondContact O-N 3.26Å; T26-T30 PolarHBondContact O-OG1 2.84Å; K27-T30 VanDerWaalsContact CA-OG1 3.31Å; K27-T30 WeakPolarHBondContact CA-OG1 3.42Å; K27-T30 PolarHBondContact O-OG1 2.79Å; K27-T30 VanDerWaalsContact O-OG1 3.07Å
31A44.3Very low44.9Very low54 Ų54108.9 Ų108.945%0.44660%0.601SS.*Hα-helixtrans-71.3-35.7169.900000112.6K27 M28K27-A31 WeakPolarHBondContact O-CB 3.31Å; K27-A31 PolarHBondContact O-N 2.97Å; M28-A31 PolarHBondContact O-N 3.37Å
32V47Very low44.5Very low108 Ų108108.8 Ų108.866%0.65562%0.621SS**Hα-helixtrans-82-22.8178.6172.40000112.7M28 A29 N34 P35M28-V32 VanDerWaalsContact O-CB 3.25Å; M28-V32 WeakPolarHBondContact O-CB 3.16Å; M28-V32 WeakPolarHBondContact O-CG2 3.27Å; M28-V32 PolarHBondContact O-N 3.23Å; A29-V32 PolarHBondContact O-N 3.26Å; V32-N34 VanDerWaalsContact C-N 3.31Å; V32-N34 PolarHBondContact O-N 3.42Å; V32-P35 WeakPolarHBondContact O-CD 3.07Å
33Q41.3Very low44Very low151 Ų151108 Ų10871%0.70663%0.63SS**THydrogen-bonded Turntrans-82.4-2.2177.7-81.1173-17.500114.3A29 P35A29-Q33 WeakPolarHBondContact O-CB 3.39Å; A29-Q33 WeakPolarHBondContact O-CG 3.07Å; A29-Q33 PolarHBondContact O-N 3.45Å; Q33-P35 VanDerWaalsContact C-CD 3.44Å
34N45.2Very low44Very low126 Ų126111.9 Ų111.967%0.67465%0.651SS**  trans-116.643.2-177.1-128.13.9000117.4V32V32-N34 VanDerWaalsContact C-N 3.31Å; V32-N34 PolarHBondContact O-N 3.42Å
35P41.3Very low44Very low101 Ų101112.7 Ų112.766%0.65666%0.661SS**SBendtrans-105.614.8166.836.2-28.7000115V32 Q33V32-P35 WeakPolarHBondContact O-CD 3.07Å; Q33-P35 VanDerWaalsContact C-CD 3.44Å
36L38.6Very low44.3Very low166 Ų166113.2 Ų113.287%0.86967%0.667SS**SBendtrans-130.120.5-176-70.4175.2000116.5
37K41.3Very low44.4Very low193 Ų193115.8 Ų115.884%0.83968%0.677SS**SBendtrans-132.353.6172.8-75.1-171.1-179.1178.20113.5
38S40.7Very low44.7Very low105 Ų105112.6 Ų112.673%0.73467%0.673SS**SBendtrans-153.3135.4147.266.40000110.6
39Q40Very low45.2Very low176 Ų176114.8 Ų114.882%0.82269%0.685SS**  trans82.683.6163.9-53.1-174.27.500117
40S43.8Very low46.4Very low128 Ų128115.4 Ų115.490%0.89570%0.695SS**  trans-44.8125.4133.251.20000111.2
41G38.6Very low47.9Very low70 Ų70117 Ų11772%0.72270%0.697SS**SBendtrans132.6105.1172.700000110.9
42G42.6Very low49.5Very low84 Ų84120.1 Ų120.187%0.86670%0.702SS**  trans-63.8141.3-167.100000115.5
43A38.5Very low51.4Low86 Ų86120.9 Ų120.971%0.71170%0.697SS**  trans-170.3134134.100000107.5I45A43-I45 PolarHBondContact O-N 3.24Å
44V49.2Very low53.5Low127 Ų127121.1 Ų121.177%0.7769%0.692SS**  trans-71.194.8176.2177.70000108.3K46V44-K46 HydrophobicContact CG1-CB 4.26Å; V44-K46 HydrophobicContact CG1-CD 4.49Å; V44-K46 HydrophobicContact CG1-CG 4.32Å
45I50.8Low55.3Low119 Ų119121.7 Ų121.761%0.6169%0.689SS**  trans-111.974.2159.5-51.5-175.1000106.2A43 L49A43-I45 PolarHBondContact O-N 3.24Å; I45-L49 HydrophobicContact CG2-CD1 4.46Å
46K52.5Low57.4Low169 Ų169122 Ų12274%0.73568%0.681SS**  trans-112.9100.6-177.7-71.3-176.8178.4-179.60108.5V44V44-K46 HydrophobicContact CG1-CB 4.26Å; V44-K46 HydrophobicContact CG1-CD 4.49Å; V44-K46 HydrophobicContact CG1-CG 4.32Å
47N52.8Low59.7Low133 Ų133115.4 Ų115.471%0.71165%0.651SS**SBendtrans163.7-23137-79.8-1.2000113
48S54.6Low62.1Low75 Ų75110.1 Ų110.152%0.52463%0.631SS.*Hα-helixtrans-79-39.4-177.548.60000114.2G50 E51 E52S48-G50 VanDerWaalsContact C-N 3.34Å; S48-G50 PolarHBondContact O-N 2.97Å; S48-E51 PolarHBondContact O-N 3.32Å; S48-E52 PolarHBondContact O-N 2.59Å
49L57.7Low64.4Low115 Ų115109.6 Ų109.660%0.60262%0.617SS**Hα-helixtrans-69.4-28.7-175.4-65.1172.3000113.6I45 F53I45-L49 HydrophobicContact CG2-CD1 4.46Å; L49-F53 PolarHBondContact O-N 3.37Å
50G67.2Low66.9Low50 Ų50107.7 Ų107.752%0.51561%0.608SS.*Hα-helixtrans-77.2-32.6179.400000113.3S48 Y54S48-G50 VanDerWaalsContact C-N 3.34Å; S48-G50 PolarHBondContact O-N 2.97Å; G50-Y54 WeakPolarHBondContact O-CB 3.31Å; G50-Y54 PolarHBondContact O-N 2.82Å
51E76.9Confident69Low122 Ų122102.6 Ų102.657%0.5757%0.572SS**Hα-helixtrans-70.8-36.9176.5-71.9-174.9-17700111.9S48 Y54 K55S48-E51 PolarHBondContact O-N 3.32Å; E51-Y54 PolarHBondContact O-N 2.86Å; E51-K55 WeakPolarHBondContact O-CB 3.46Å; E51-K55 VanDerWaalsContact O-CG 3.29Å; E51-K55 WeakPolarHBondContact O-CG 3.17Å; E51-K55 PolarHBondContact O-N 3.36Å
52E79.1Confident71.4Confident119 Ų119107.3 Ų107.356%0.55657%0.568SS**Hα-helixtrans-66.7-47.2177.2-165.4154-139.200111.1S48 Y54 K55 E56S48-E52 PolarHBondContact O-N 2.59Å; E52-Y54 VanDerWaalsContact C-N 3.32Å; E52-Y54 PolarHBondContact O-N 3.2Å; E52-K55 PolarHBondContact O-N 3.43Å; E52-E56 WeakPolarHBondContact O-CG 3.34Å; E52-E56 PolarHBondContact O-N 2.91Å
53F86.3Confident73.5Confident124 Ų124106.4 Ų106.454%0.54455%0.549SS..Hα-helixtrans-59-40.5172.8-179.5-98.9000112.9L49 E56 A57L49-F53 PolarHBondContact O-N 3.37Å; F53-E56 PolarHBondContact O-N 3.12Å; F53-A57 WeakPolarHBondContact O-CB 3.01Å; F53-A57 PolarHBondContact O-N 2.85Å
54Y85.6Confident76Confident155 Ų155107.2 Ų107.261%0.60853%0.534SS*.Hα-helixtrans-67-41.1177.5-175-98.8000112.1G50 E51 E52 A57 I58G50-Y54 WeakPolarHBondContact O-CB 3.31Å; G50-Y54 PolarHBondContact O-N 2.82Å; E51-Y54 PolarHBondContact O-N 2.86Å; E52-Y54 VanDerWaalsContact C-N 3.32Å; E52-Y54 PolarHBondContact O-N 3.2Å; Y54-A57 PolarHBondContact O-N 3.14Å; Y54-I58 HydrophobicContact CD1-CG1 4.22Å; Y54-I58 HydrophobicContact CE1-CD1 4.34Å; Y54-I58 HydrophobicContact CE1-CG1 3.84Å; Y54-I58 WeakPolarHBondContact O-CG1 3.39Å; Y54-I58 PolarHBondContact O-N 2.71Å
55K84.2Confident77.9Confident139 Ų139105.4 Ų105.460%0.60452%0.52SS*.Hα-helixtrans-61-46.3174.8-76.6172.1-176.3171.30111.4E51 E52 A57 I58 E59E51-K55 WeakPolarHBondContact O-CB 3.46Å; E51-K55 VanDerWaalsContact O-CG 3.29Å; E51-K55 WeakPolarHBondContact O-CG 3.17Å; E51-K55 PolarHBondContact O-N 3.36Å; E52-K55 PolarHBondContact O-N 3.43Å; K55-A57 VanDerWaalsContact C-N 3.34Å; K55-A57 PolarHBondContact O-N 3.39Å; K55-I58 PolarHBondContact O-N 3.16Å; K55-E59 PolarHBondContact O-N 3.01Å
56E83.9Confident79.6Confident106 Ų106102.5 Ų102.550%0.49551%0.514SS..Hα-helixtrans-60.5-42.3175.8-73-179.817600112.1E52 F53 I58 E59 H60E52-E56 WeakPolarHBondContact O-CG 3.34Å; E52-E56 PolarHBondContact O-N 2.91Å; F53-E56 PolarHBondContact O-N 3.12Å; E56-I58 VanDerWaalsContact C-N 3.34Å; E56-I58 PolarHBondContact O-N 3.1Å; E56-E59 PolarHBondContact O-N 3.42Å; E56-H60 WeakPolarHBondContact O-CB 3.45Å; E56-H60 PolarHBondContact O-N 3.2Å; E56-H60 PolarHBondContact O-ND1 3.49Å
57A88.1Confident81.4Confident29 Ų29100.9 Ų100.924%0.2450%0.503CS..Hα-helixtrans-61.7-40.5176.800000112.4F53 Y54 K55 C61F53-A57 WeakPolarHBondContact O-CB 3.01Å; F53-A57 PolarHBondContact O-N 2.85Å; Y54-A57 PolarHBondContact O-N 3.14Å; K55-A57 VanDerWaalsContact C-N 3.34Å; K55-A57 PolarHBondContact O-N 3.39Å; A57-C61 PolarHBondContact O-N 3.43Å; A57-C61 PolarHBondContact O-SG 3.06Å
58I91.6Very high83.2Confident82 Ų8298.7 Ų98.742%0.42149%0.491SS..Hα-helixtrans-68.1-40.8176.2-66.2-64000111.3Y54 K55 E56 H60 C61 R62Y54-I58 HydrophobicContact CD1-CG1 4.22Å; Y54-I58 HydrophobicContact CE1-CD1 4.34Å; Y54-I58 HydrophobicContact CE1-CG1 3.84Å; Y54-I58 WeakPolarHBondContact O-CG1 3.39Å; Y54-I58 PolarHBondContact O-N 2.71Å; K55-I58 PolarHBondContact O-N 3.16Å; E56-I58 VanDerWaalsContact C-N 3.34Å; E56-I58 PolarHBondContact O-N 3.1Å; I58-H60 PolarHBondContact O-N 3.36Å; I58-C61 WeakPolarHBondContact O-CB 3.26Å; I58-C61 PolarHBondContact O-N 3.09Å; I58-R62 WeakPolarHBondContact O-CB 3.48Å; I58-R62 PolarHBondContact O-N 2.6Å
59E88.8Confident84.9Confident94 Ų9499.2 Ų99.244%0.43949%0.493SS..Hα-helixtrans-66-38.8178.4-15964.5-141.800111.5K55 E56 R62 S63K55-E59 PolarHBondContact O-N 3.01Å; E56-E59 PolarHBondContact O-N 3.42Å; E59-R62 WeakPolarHBondContact O-CB 3.45Å; E59-R62 PolarHBondContact O-N 3.44Å; E59-R62 IonicContact OE1-NH1 2.79Å; E59-S63 WeakPolarHBondContact O-CB 3.29Å; E59-S63 PolarHBondContact O-N 3.18Å; E59-S63 PolarHBondContact O-OG 3.31Å; E59-S63 VanDerWaalsContact O-OG 3.06Å
60H91.8Very high86.3Confident135 Ų13595.9 Ų95.963%0.62548%0.483SS*.Hα-helixtrans-62.4-42.6171-73156.7000112.3E56 I58 R62 S63 Y64E56-H60 WeakPolarHBondContact O-CB 3.45Å; E56-H60 PolarHBondContact O-N 3.2Å; E56-H60 PolarHBondContact O-ND1 3.49Å; I58-H60 PolarHBondContact O-N 3.36Å; H60-R62 VanDerWaalsContact C-N 3.33Å; H60-R62 PolarHBondContact O-N 3.19Å; H60-S63 PolarHBondContact O-N 3.5Å; H60-Y64 WeakPolarHBondContact O-CB 3.36Å; H60-Y64 PolarHBondContact O-N 3.36Å
61C89.3Confident87.4Confident22 Ų2296.3 Ų96.315%0.14947%0.471CS..Hα-helixtrans-62.3-41.7175.9-69.20000111.6A57 I58 Y64 N65A57-C61 PolarHBondContact O-N 3.43Å; A57-C61 PolarHBondContact O-SG 3.06Å; I58-C61 WeakPolarHBondContact O-CB 3.26Å; I58-C61 PolarHBondContact O-N 3.09Å; C61-Y64 PolarHBondContact O-N 3.24Å; C61-N65 WeakPolarHBondContact O-CB 3.31Å; C61-N65 PolarHBondContact O-N 2.67Å; C61-N65 PolarHBondContact O-ND2 2.65Å
62R88.6Confident88Confident168 Ų16897.6 Ų97.663%0.63447%0.471SS*.Hα-helixtrans-62.1-48.8176.9-175.2-172.8-175.1-175.43.5111.6I58 E59 H60 Y64 N65 A66I58-R62 WeakPolarHBondContact O-CB 3.48Å; I58-R62 PolarHBondContact O-N 2.6Å; E59-R62 WeakPolarHBondContact O-CB 3.45Å; E59-R62 PolarHBondContact O-N 3.44Å; E59-R62 IonicContact OE1-NH1 2.79Å; H60-R62 VanDerWaalsContact C-N 3.33Å; H60-R62 PolarHBondContact O-N 3.19Å; R62-Y64 VanDerWaalsContact C-N 3.34Å; R62-Y64 PolarHBondContact O-N 3.29Å; R62-N65 PolarHBondContact O-N 3.21Å; R62-A66 WeakPolarHBondContact O-CB 3.44Å; R62-A66 PolarHBondContact O-N 3.43Å
63S86.7Confident88.3Confident66 Ų6695.6 Ų95.646%0.46247%0.47SS..Hα-helixtrans-61.9-42178.9-64.80000111.8E59 H60 A66 R67E59-S63 WeakPolarHBondContact O-CB 3.29Å; E59-S63 PolarHBondContact O-N 3.18Å; E59-S63 PolarHBondContact O-OG 3.31Å; E59-S63 VanDerWaalsContact O-OG 3.06Å; H60-S63 PolarHBondContact O-N 3.5Å; S63-A66 PolarHBondContact O-N 3.18Å; S63-R67 PolarHBondContact O-N 3.43Å
64Y89.6Confident88.3Confident102 Ų10294.8 Ų94.840%0.447%0.469SS..Hα-helixtrans-61.1-46.7174.1-179.9-96000112.2H60 C61 R62 A66 R67 L68H60-Y64 WeakPolarHBondContact O-CB 3.36Å; H60-Y64 PolarHBondContact O-N 3.36Å; C61-Y64 PolarHBondContact O-N 3.24Å; R62-Y64 VanDerWaalsContact C-N 3.34Å; R62-Y64 PolarHBondContact O-N 3.29Å; Y64-A66 VanDerWaalsContact C-N 3.33Å; Y64-A66 PolarHBondContact O-N 3.13Å; Y64-R67 PolarHBondContact O-N 3.3Å; Y64-L68 HydrophobicContact CE1-CD2 4.49Å; Y64-L68 WeakPolarHBondContact O-CB 3.32Å; Y64-L68 PolarHBondContact O-N 3.43Å
65N89.6Confident88.4Confident89 Ų8995 Ų9548%0.47647%0.469SS..Hα-helixtrans-62.3-40.5177.7-73.1-20.6000111.8C61 R62 L68 C69C61-N65 WeakPolarHBondContact O-CB 3.31Å; C61-N65 PolarHBondContact O-N 2.67Å; C61-N65 PolarHBondContact O-ND2 2.65Å; R62-N65 PolarHBondContact O-N 3.21Å; N65-L68 PolarHBondContact O-N 2.91Å; N65-C69 PolarHBondContact O-N 2.79Å; N65-C69 PolarHBondContact O-SG 3.46Å; N65-C69 VanDerWaalsContact O-SG 3.37Å
66A87.6Confident88.4Confident58 Ų5891.3 Ų91.348%0.47946%0.455SS..Hα-helixtrans-60.9-46.817600000111.6R62 S63 Y64 L68 C69 A70R62-A66 WeakPolarHBondContact O-CB 3.44Å; R62-A66 PolarHBondContact O-N 3.43Å; S63-A66 PolarHBondContact O-N 3.18Å; Y64-A66 VanDerWaalsContact C-N 3.33Å; Y64-A66 PolarHBondContact O-N 3.13Å; A66-L68 PolarHBondContact O-N 3.5Å; A66-C69 PolarHBondContact O-N 3.47Å; A66-A70 PolarHBondContact O-N 2.83Å
67R90.5Very high88.7Confident135 Ų13589.9 Ų89.951%0.50946%0.455SS..Hα-helixtrans-61-44175.8-174.6173.462.9-176.4-1.1111.8S63 Y64 C69 A70 E71S63-R67 PolarHBondContact O-N 3.43Å; Y64-R67 PolarHBondContact O-N 3.3Å; R67-C69 VanDerWaalsContact C-N 3.33Å; R67-C69 PolarHBondContact O-N 3.05Å; R67-A70 PolarHBondContact O-N 3.19Å; R67-E71 VanDerWaalsContact O-CB 3.28Å; R67-E71 WeakPolarHBondContact O-CB 3.1Å; R67-E71 PolarHBondContact O-N 2.79Å
68L90.3Very high88.7Confident88 Ų8894.1 Ų94.146%0.46147%0.469SS..Hα-helixtrans-62.1-40.4178.2-169.771000112Y64 N65 A66 R72Y64-L68 HydrophobicContact CE1-CD2 4.49Å; Y64-L68 WeakPolarHBondContact O-CB 3.32Å; Y64-L68 PolarHBondContact O-N 3.43Å; N65-L68 PolarHBondContact O-N 2.91Å; A66-L68 PolarHBondContact O-N 3.5Å; L68-R72 WeakPolarHBondContact O-CB 3.35Å; L68-R72 PolarHBondContact O-N 3.37Å
69C90.4Very high88.6Confident85 Ų8596.3 Ų96.357%0.57448%0.48SS*.Hα-helixtrans-64.3-45.2174.6-74.80000112.2N65 A66 R67 R72 S73N65-C69 PolarHBondContact O-N 2.79Å; N65-C69 PolarHBondContact O-SG 3.46Å; N65-C69 VanDerWaalsContact O-SG 3.37Å; A66-C69 PolarHBondContact O-N 3.47Å; R67-C69 VanDerWaalsContact C-N 3.33Å; R67-C69 PolarHBondContact O-N 3.05Å; C69-R72 PolarHBondContact O-N 2.69Å; C69-S73 PolarHBondContact O-N 3.4Å
70A86.3Confident88.6Confident45 Ų4593.2 Ų93.237%0.37247%0.467SS..Hα-helixtrans-60.1-51.1176.700000110.6A66 R67 R72 S73 M74A66-A70 PolarHBondContact O-N 2.83Å; R67-A70 PolarHBondContact O-N 3.19Å; A70-R72 VanDerWaalsContact C-N 3.33Å; A70-R72 PolarHBondContact O-N 2.96Å; A70-S73 PolarHBondContact O-N 3.04Å; A70-S73 PolarHBondContact O-OG 3.37Å; A70-M74 WeakPolarHBondContact O-CG 3.25Å; A70-M74 PolarHBondContact O-N 3.38Å
71E90.1Very high88.4Confident60 Ų6092.5 Ų92.528%0.2848%0.477SS..Hα-helixtrans-55.6-42.7175.8-90.6-163.3-138.600113.8R67 M74 R75R67-E71 VanDerWaalsContact O-CB 3.28Å; R67-E71 WeakPolarHBondContact O-CB 3.1Å; R67-E71 PolarHBondContact O-N 2.79Å; E71-M74 HydrophobicContact CG-CE 4.23Å; E71-R75 WeakPolarHBondContact O-CG 3.3Å; E71-R75 PolarHBondContact O-N 2.73Å; E71-R75 PolarHBondContact O-NH1 3.16Å; E71-R75 IonicContact OE2-CZ 3.43Å; E71-R75 VanDerWaalsContact OE2-CZ 3.31Å; E71-R75 IonicContact OE2-NH1 2.88Å; E71-R75 PolarHBondContact OE2-NH1 2.85Å; E71-R75 IonicContact OE2-NH2 2.91Å; E71-R75 PolarHBondContact OE2-NH2 3.35Å
72R88.8Confident88.6Confident149 Ų149100 Ų10056%0.56251%0.51SS*.Hα-helixtrans-64.9-41.5175.1179.7-179.7168.4-142.51.1111.4L68 C69 A70 M74 R75 L76 N89L68-R72 WeakPolarHBondContact O-CB 3.35Å; L68-R72 PolarHBondContact O-N 3.37Å; C69-R72 PolarHBondContact O-N 2.69Å; A70-R72 VanDerWaalsContact C-N 3.33Å; A70-R72 PolarHBondContact O-N 2.96Å; R72-M74 VanDerWaalsContact C-N 3.35Å; R72-R75 PolarHBondContact O-N 2.68Å; R72-L76 PolarHBondContact O-N 3.43Å; R72-N89 PolarHBondContact NH2-OD1 3Å
73S86.6Confident88.7Confident76 Ų7696.1 Ų96.153%0.53151%0.505SS..Hα-helixtrans-66.4-36.8-179.774.40000112.6C69 A70 R75 L76C69-S73 PolarHBondContact O-N 3.4Å; A70-S73 PolarHBondContact O-N 3.04Å; A70-S73 PolarHBondContact O-OG 3.37Å; S73-R75 VanDerWaalsContact C-N 3.29Å; S73-R75 PolarHBondContact O-N 2.97Å; S73-L76 PolarHBondContact O-N 3.49Å
74M85.8Confident88.8Confident108 Ų10896.1 Ų96.153%0.53252%0.515SS..Hα-helixtrans-69.9-24.1178.4-69.4-168.8-68.200113.6A70 E71 R72 D236A70-M74 WeakPolarHBondContact O-CG 3.25Å; A70-M74 PolarHBondContact O-N 3.38Å; E71-M74 HydrophobicContact CG-CE 4.23Å; R72-M74 VanDerWaalsContact C-N 3.35Å; M74-D236 VanDerWaalsContact SD-OD2 3.42Å
75R86.9Confident88.9Confident160 Ų16094.9 Ų94.960%0.60452%0.518SS*.THydrogen-bonded Turntrans-94-2.2-179-65.9-176.1-172.2107.2-2.2113.7E71 R72 S73 P77E71-R75 WeakPolarHBondContact O-CG 3.3Å; E71-R75 PolarHBondContact O-N 2.73Å; E71-R75 PolarHBondContact O-NH1 3.16Å; E71-R75 IonicContact OE2-CZ 3.43Å; E71-R75 VanDerWaalsContact OE2-CZ 3.31Å; E71-R75 IonicContact OE2-NH1 2.88Å; E71-R75 PolarHBondContact OE2-NH1 2.85Å; E71-R75 IonicContact OE2-NH2 2.91Å; E71-R75 PolarHBondContact OE2-NH2 3.35Å; R72-R75 PolarHBondContact O-N 2.68Å; S73-R75 VanDerWaalsContact C-N 3.29Å; S73-R75 PolarHBondContact O-N 2.97Å; R75-P77 CarbonylContact O-C 3.49Å
76L85.6Confident89Confident61 Ų6193.2 Ų93.232%0.31952%0.517SS..PPolyproline II helixtrans-92.3142.4173.2-71.7173.7000110.3R72 S73R72-L76 PolarHBondContact O-N 3.43Å; S73-L76 PolarHBondContact O-N 3.49Å
77P89.1Confident89.1Confident75 Ų7594.5 Ų94.549%0.48751%0.513SS..SBendcis-77145.4-1.832.1-34.8000113R75 A86 Q87R75-P77 CarbonylContact O-C 3.49Å; P77-A86 HydrophobicContact CB-CB 4.16Å; P77-A86 HydrophobicContact CG-CB 4.41Å; P77-Q87 CarbonylContact C-O 3.35Å; P77-Q87 VanDerWaalsContact CA-O 3.29Å; P77-Q87 WeakPolarHBondContact CA-O 3.43Å; P77-Q87 WeakPolarHBondContact CB-O 3.31Å
78F88.8Confident89.1Confident119 Ų11991.7 Ų91.752%0.52251%0.514SS..EExtended strand (participates in β ladder)trans-83.4127.1175.7172-103.2000110.5D80 A86 Q87F78-D80 HydrophobicContact CE1-CB 4.13Å; F78-A86 CarbonylContact O-C 3.59Å; F78-A86 WeakPolarHBondContact O-CA 3.35Å; F78-Q87 HydrophobicContact CD1-CB 4.49Å; F78-Q87 PolarHBondContact N-O 2.83Å; F78-Q87 PolarHBondContact O-N 3.25Å
79L89.8Confident89.1Confident127 Ų12791.6 Ų91.667%0.66551%0.514SS*.EExtended strand (participates in β ladder)trans-89.7110.3177.7-66.8168.1000110A86L79-A86 HydrophobicContact CD2-CB 3.79Å
80D89.1Confident88.9Confident30 Ų3091 Ų9116%0.1651%0.509CS..  trans-79.5118173.9176.83000110.2F78 Q82 T83 G84 V85 Q87F78-D80 HydrophobicContact CE1-CB 4.13Å; D80-Q82 VanDerWaalsContact C-N 3.32Å; D80-Q82 PolarHBondContact O-N 3.03Å; D80-Q82 PolarHBondContact OD1-N 2.88Å; D80-T83 WeakPolarHBondContact CB-OG1 3.2Å; D80-T83 WeakPolarHBondContact OD2-CB 3.5Å; D80-T83 VanDerWaalsContact OD2-CG2 3.23Å; D80-T83 WeakPolarHBondContact OD2-CG2 3.46Å; D80-T83 PolarHBondContact OD2-OG1 2.86Å; D80-G84 VanDerWaalsContact O-CA 3.24Å; D80-G84 WeakPolarHBondContact O-CA 3.35Å; D80-G84 PolarHBondContact O-N 2.84Å; D80-V85 PolarHBondContact N-O 3.45Å; D80-V85 VanDerWaalsContact N-O 3.09Å; D80-Q87 PolarHBondContact OD2-NE2 2.83Å
81S87.9Confident88.9Confident119 Ų11994.6 Ų94.683%0.83251%0.514SS*.THydrogen-bonded Turntrans-70.9-23.1-17657.90000114.1
82Q93.1Very high88.8Confident181 Ų18197.6 Ų97.685%0.84653%0.531SS*.THydrogen-bonded Turntrans-85.9-39.7-180-65.7-177.26.200111.8D80D80-Q82 VanDerWaalsContact C-N 3.32Å; D80-Q82 PolarHBondContact O-N 3.03Å; D80-Q82 PolarHBondContact OD1-N 2.88Å
83T90.6Very high88.9Confident85 Ų85100.6 Ų100.652%0.52154%0.542SS..THydrogen-bonded Turntrans-96.8-15.7-177.265.40000113.5D80 V85D80-T83 WeakPolarHBondContact CB-OG1 3.2Å; D80-T83 WeakPolarHBondContact OD2-CB 3.5Å; D80-T83 VanDerWaalsContact OD2-CG2 3.23Å; D80-T83 WeakPolarHBondContact OD2-CG2 3.46Å; D80-T83 PolarHBondContact OD2-OG1 2.86Å; T83-V85 PolarHBondContact O-N 3.15Å; T83-V85 PolarHBondContact OG1-N 3.34Å
84G88.3Confident89.1Confident66 Ų66100.5 Ų100.568%0.6853%0.534SS*.  trans68.39.2-173.500000113.8D80D80-G84 VanDerWaalsContact O-CA 3.24Å; D80-G84 WeakPolarHBondContact O-CA 3.35Å; D80-G84 PolarHBondContact O-N 2.84Å
85V91.4Very high89.4Confident77 Ų77101.1 Ų101.147%0.46754%0.536SS..  trans-87128.7-176.2179.50000110.4D80 T83 Q87D80-V85 PolarHBondContact N-O 3.45Å; D80-V85 VanDerWaalsContact N-O 3.09Å; T83-V85 PolarHBondContact O-N 3.15Å; T83-V85 PolarHBondContact OG1-N 3.34Å; V85-Q87 HydrophobicContact CB-CG 4.36Å; V85-Q87 HydrophobicContact CG1-CG 4.03Å; V85-Q87 PolarHBondContact O-N 3.36Å; V85-Q87 VanDerWaalsContact O-N 3.14Å
86A92.4Very high89.6Confident54 Ų54101.6 Ų101.645%0.44654%0.543SS..EExtended strand (participates in β ladder)trans-76.793.1166.500000109.6P77 F78 L79P77-A86 HydrophobicContact CB-CB 4.16Å; P77-A86 HydrophobicContact CG-CB 4.41Å; F78-A86 CarbonylContact O-C 3.59Å; F78-A86 WeakPolarHBondContact O-CA 3.35Å; L79-A86 HydrophobicContact CD2-CB 3.79Å
87Q90.1Very high90Very high85 Ų85104.1 Ų104.140%0.39756%0.557SS.*EExtended strand (participates in β ladder)trans-77.5137.9-176.6-61.2-176.6-0.500111.6P77 F78 D80 V85P77-Q87 CarbonylContact C-O 3.35Å; P77-Q87 VanDerWaalsContact CA-O 3.29Å; P77-Q87 WeakPolarHBondContact CA-O 3.43Å; P77-Q87 WeakPolarHBondContact CB-O 3.31Å; F78-Q87 HydrophobicContact CD1-CB 4.49Å; F78-Q87 PolarHBondContact N-O 2.83Å; F78-Q87 PolarHBondContact O-N 3.25Å; D80-Q87 PolarHBondContact OD2-NE2 2.83Å; V85-Q87 HydrophobicContact CB-CG 4.36Å; V85-Q87 HydrophobicContact CG1-CG 4.03Å; V85-Q87 PolarHBondContact O-N 3.36Å; V85-Q87 VanDerWaalsContact O-N 3.14Å
88S90.6Very high90.2Very high75 Ų75104.3 Ų104.352%0.52455%0.551SS.*  trans-125.1-174172.7-69.20000109.6C90S88-C90 PolarHBondContact O-N 2.97Å; S88-C90 VanDerWaalsContact O-N 3.1Å
89N89.8Confident90.5Very high86 Ų86103.5 Ų103.546%0.4654%0.544SS..  trans-53.6120.6173.2-67.3-28.3000110.6R72R72-N89 PolarHBondContact NH2-OD1 3Å
90C86.1Confident90.7Very high72 Ų7298.7 Ų98.749%0.48653%0.525SS..  trans-112.2155.7178.966.10000110.7S88 I92S88-C90 PolarHBondContact O-N 2.97Å; S88-C90 VanDerWaalsContact O-N 3.1Å; C90-I92 HydrophobicContact CB-CG2 4.48Å
91Y87.3Confident91Very high121 Ų121102 Ų10248%0.47555%0.549SS..  trans-118.630.9-178.2-58.7-84.6000111.1W93 M94 R114Y91-W93 VanDerWaalsContact C-N 3.34Å; Y91-M94 WeakPolarHBondContact O-CE 3.41Å; Y91-R114 PolarHBondContact OH-NH1 2.9Å; Y91-R114 PolarHBondContact OH-NH2 3.33Å; Y91-R114 VanDerWaalsContact OH-NH2 3.16Å
92I87.8Confident91.3Very high124 Ų12497.7 Ų97.764%0.63652%0.522SS*.  trans-77-26.1-179.663.6-179.8000111.9C90 M94C90-I92 HydrophobicContact CB-CG2 4.48Å; I92-M94 PolarHBondContact O-N 3.06Å
93W89.2Confident91.2Very high211 Ų21196.6 Ų96.680%0.79952%0.517SS*.  trans-85.7104-179.2-56.8108.3000109.5Y91Y91-W93 VanDerWaalsContact C-N 3.34Å
94M90.9Very high91.4Very high74 Ų7494.9 Ų94.937%0.36551%0.511SS..  trans-112.4131177.3-62.2-64.5-167.500110.2Y91 I92 Y111Y91-M94 WeakPolarHBondContact O-CE 3.41Å; I92-M94 PolarHBondContact O-N 3.06Å; M94-Y111 HydrophobicContact CB-CD1 3.56Å; M94-Y111 HydrophobicContact CB-CE1 3.81Å; M94-Y111 HydrophobicContact CB-CG 4.38Å; M94-Y111 HydrophobicContact CG-CD1 3.98Å; M94-Y111 HydrophobicContact CG-CG 4.37Å
95E92Very high91.7Very high122 Ų12298.3 Ų98.357%0.5752%0.522SS*.  trans-72161.9174.3-66.4172.9-167.900112.8N97 H98E95-N97 VanDerWaalsContact C-N 3.26Å; E95-N97 WeakPolarHBondContact CB-OD1 3.18Å; E95-N97 PolarHBondContact O-N 3.06Å; E95-N97 PolarHBondContact OE2-ND2 3.47Å; E95-N97 PolarHBondContact OE2-OD1 3.01Å; E95-H98 WeakPolarHBondContact CB-ND1 3.39Å; E95-H98 PolarHBondContact N-ND1 2.94Å; E95-H98 VanDerWaalsContact N-ND1 3.2Å; E95-H98 WeakPolarHBondContact O-CB 3.39Å; E95-H98 PolarHBondContact O-N 3.48Å
96K92.3Very high91.8Very high169 Ų16998.7 Ų98.774%0.73554%0.541SS*.G310 helixtrans-62.2-30.4-178.8-173.5-178.8176.6-1750113.2H98 R99K96-H98 VanDerWaalsContact C-N 3.25Å; K96-H98 PolarHBondContact O-N 3.21Å; K96-R99 WeakPolarHBondContact O-CB 3.35Å; K96-R99 PolarHBondContact O-N 3.18Å
97N94.2Very high91.9Very high115 Ų115100 Ų10062%0.61554%0.538SS*.G310 helixtrans-65.4-24.8174.855.55.4000113E95 R99E95-N97 VanDerWaalsContact C-N 3.26Å; E95-N97 WeakPolarHBondContact CB-OD1 3.18Å; E95-N97 PolarHBondContact O-N 3.06Å; E95-N97 PolarHBondContact OE2-ND2 3.47Å; E95-N97 PolarHBondContact OE2-OD1 3.01Å; N97-R99 PolarHBondContact O-N 3.01Å
98H92.8Very high92.1Very high79 Ų79102.6 Ų102.637%0.36655%0.554SS.*G310 helixtrans-80.5-3.9175.2-56.3114.4000113E95 K96 G100 Y111 P112E95-H98 WeakPolarHBondContact CB-ND1 3.39Å; E95-H98 PolarHBondContact N-ND1 2.94Å; E95-H98 VanDerWaalsContact N-ND1 3.2Å; E95-H98 WeakPolarHBondContact O-CB 3.39Å; E95-H98 PolarHBondContact O-N 3.48Å; K96-H98 VanDerWaalsContact C-N 3.25Å; K96-H98 PolarHBondContact O-N 3.21Å; H98-G100 PolarHBondContact O-N 2.93Å; H98-Y111 HydrophobicContact CB-CD1 4.15Å; H98-P112 HydrophobicContact CB-CG 4.39Å; H98-P112 VanDerWaalsContact O-CD 3.23Å; H98-P112 WeakPolarHBondContact O-CD 3.3Å
99R95.4Very high92.3Very high102 Ų102104.9 Ų104.939%0.38555%0.552SS.*  trans-78.4107.4-179.5-172.7-172.5-69.6-168.30.3110K96 N97 Y109 Y111K96-R99 WeakPolarHBondContact O-CB 3.35Å; K96-R99 PolarHBondContact O-N 3.18Å; N97-R99 PolarHBondContact O-N 3.01Å; R99-Y109 HydrophobicContact CG-CD1 3.51Å; R99-Y109 HydrophobicContact CG-CD2 4.36Å; R99-Y109 HydrophobicContact CG-CE1 4.17Å; R99-Y109 HydrophobicContact CG-CG 3.61Å; R99-Y111 HydrophobicContact CB-CE1 3.93Å; R99-Y111 HydrophobicContact CG-CE1 4.42Å; R99-Y111 PolarHBondContact NE-OH 3.47Å
100G93.7Very high92.6Very high26 Ų26102.1 Ų102.127%0.26854%0.539SS..EExtended strand (participates in β ladder)trans-92.4170.7170.900000113.1H98 Y109 T110H98-G100 PolarHBondContact O-N 2.93Å; G100-Y109 WeakPolarHBondContact O-CA 3.5Å; G100-T110 WeakPolarHBondContact CA-O 3.41Å; G100-T110 PolarHBondContact N-O 3.01Å; G100-T110 PolarHBondContact O-N 3.16Å
101P94.8Very high93Very high100 Ų100102.9 Ų102.965%0.64953%0.532SS*.EExtended strand (participates in β ladder)trans-62.9152.4170.828.3-34.2000111.3T110P101-T110 WeakPolarHBondContact O-CB 3.25Å; P101-T110 PolarHBondContact O-OG1 3.35Å
102G94.6Very high93.2Very high27 Ų27100.8 Ų100.828%0.27853%0.533SS..PPolyproline II helixtrans-64.8138.7172.100000112.2Q107 L108 T110G102-Q107 WeakPolarHBondContact CA-O 3.13Å; G102-L108 PolarHBondContact N-O 3.42Å; G102-T110 WeakPolarHBondContact CA-OG1 3.38Å
103H91.8Very high93.3Very high158 Ų15899.5 Ų99.573%0.73154%0.541SS*.  trans-95.6-25.6176.9-67.1-69.4000113.5T110H103-T110 PolarHBondContact CD2-OG1 2.78Å; H103-T110 VanDerWaalsContact CD2-OG1 3.24Å; H103-T110 PolarHBondContact N-OG1 3.43Å
104A93.8Very high93.2Very high49 Ų4996.7 Ų96.741%0.40553%0.53SS..SBendtrans-101.4152.2179.700000112.3G106 Q107A104-G106 PolarHBondContact O-N 3.28Å; A104-Q107 HydrophobicContact CB-CB 4.25Å; A104-Q107 VanDerWaalsContact O-CB 3.26Å; A104-Q107 WeakPolarHBondContact O-CB 3.43Å; A104-Q107 PolarHBondContact O-N 2.81Å
105P94.5Very high93.3Very high138 Ų13899.7 Ų99.790%0.89656%0.557SS**THydrogen-bonded Turntrans-54.9127.8173.3-24.534000111.8Q107P105-Q107 VanDerWaalsContact C-N 3.29Å; P105-Q107 PolarHBondContact O-N 3.14Å
106G94.2Very high93.1Very high85 Ų85104.2 Ų104.288%0.87657%0.569SS**THydrogen-bonded Turntrans83.1-6.4-177.300000115.2A104A104-G106 PolarHBondContact O-N 3.28Å
107Q95.3Very high93Very high81 Ų81107.2 Ų107.238%0.37958%0.575SS.*  trans-83.6122173.4-170.6179.3-3.800109.9G102 A104 P105 Y109 T110G102-Q107 WeakPolarHBondContact CA-O 3.13Å; A104-Q107 HydrophobicContact CB-CB 4.25Å; A104-Q107 VanDerWaalsContact O-CB 3.26Å; A104-Q107 WeakPolarHBondContact O-CB 3.43Å; A104-Q107 PolarHBondContact O-N 2.81Å; P105-Q107 VanDerWaalsContact C-N 3.29Å; P105-Q107 PolarHBondContact O-N 3.14Å; Q107-Y109 WeakPolarHBondContact CG-O 3.44Å; Q107-Y109 PolarHBondContact NE2-O 3.16Å; Q107-T110 PolarHBondContact NE2-OG1 2.86Å; Q107-T110 VanDerWaalsContact NE2-OG1 3.12Å
108L93.1Very high92.7Very high141 Ų141110 Ų11074%0.73858%0.582SS**  trans-78.8-40.7179.1-65.9174.2000112.3G102G102-L108 PolarHBondContact N-O 3.42Å
109Y95.8Very high92Very high122 Ų122114.4 Ų114.448%0.47860%0.6SS.*EExtended strand (participates in β ladder)trans-139.7150.4-174.8-55.9-58.6000112R99 G100 Q107R99-Y109 HydrophobicContact CG-CD1 3.51Å; R99-Y109 HydrophobicContact CG-CD2 4.36Å; R99-Y109 HydrophobicContact CG-CE1 4.17Å; R99-Y109 HydrophobicContact CG-CG 3.61Å; G100-Y109 WeakPolarHBondContact O-CA 3.5Å; Q107-Y109 WeakPolarHBondContact CG-O 3.44Å; Q107-Y109 PolarHBondContact NE2-O 3.16Å
110T94.9Very high91.2Very high29 Ų29120.7 Ų120.718%0.17862%0.624CS.*EExtended strand (participates in β ladder)trans-120.6145.2168.8-47.40000109.9G100 P101 G102 H103 Q107G100-T110 WeakPolarHBondContact CA-O 3.41Å; G100-T110 PolarHBondContact N-O 3.01Å; G100-T110 PolarHBondContact O-N 3.16Å; P101-T110 WeakPolarHBondContact O-CB 3.25Å; P101-T110 PolarHBondContact O-OG1 3.35Å; G102-T110 WeakPolarHBondContact CA-OG1 3.38Å; H103-T110 PolarHBondContact CD2-OG1 2.78Å; H103-T110 VanDerWaalsContact CD2-OG1 3.24Å; H103-T110 PolarHBondContact N-OG1 3.43Å; Q107-T110 PolarHBondContact NE2-OG1 2.86Å; Q107-T110 VanDerWaalsContact NE2-OG1 3.12Å
111Y94.1Very high89.8Confident87 Ų87129.1 Ų129.134%0.34165%0.648SS.*  trans-114.5152170.3-68.9-88.6000110.2M94 H98 R99 A113M94-Y111 HydrophobicContact CB-CD1 3.56Å; M94-Y111 HydrophobicContact CB-CE1 3.81Å; M94-Y111 HydrophobicContact CB-CG 4.38Å; M94-Y111 HydrophobicContact CG-CD1 3.98Å; M94-Y111 HydrophobicContact CG-CG 4.37Å; H98-Y111 HydrophobicContact CB-CD1 4.15Å; R99-Y111 HydrophobicContact CB-CE1 3.93Å; R99-Y111 HydrophobicContact CG-CE1 4.42Å; R99-Y111 PolarHBondContact NE-OH 3.47Å; Y111-A113 PolarHBondContact O-N 3.27Å; Y111-A113 VanDerWaalsContact O-N 3.16Å
112P92.8Very high88Confident78 Ų78132.1 Ų132.151%0.50666%0.657SS.*PPolyproline II helixtrans-53.5120.1178-27.133.5000111.9H98H98-P112 HydrophobicContact CB-CG 4.39Å; H98-P112 VanDerWaalsContact O-CD 3.23Å; H98-P112 WeakPolarHBondContact O-CD 3.3Å
113A89.8Confident86.1Confident96 Ų96136.4 Ų136.479%0.79367%0.674SS**PPolyproline II helixtrans-82.5138176.100000110.3Y111Y111-A113 PolarHBondContact O-N 3.27Å; Y111-A113 VanDerWaalsContact O-N 3.16Å
114R87Confident84.4Confident152 Ų152133.5 Ų133.557%0.57466%0.662SS**PPolyproline II helixtrans-80.6131.5172.6-78.7-176.3140.6-126.5-7.4110.5Y91 W116Y91-R114 PolarHBondContact OH-NH1 2.9Å; Y91-R114 PolarHBondContact OH-NH2 3.33Å; Y91-R114 VanDerWaalsContact OH-NH2 3.16Å; R114-W116 PolarHBondContact O-N 2.85Å
115C92.4Very high82.3Confident137 Ų137138.7 Ų138.793%0.92668%0.683SS**PPolyproline II helixtrans-68.6130.3169.6-65.90000109.4
116W87.6Confident80.1Confident217 Ų217139.3 Ų139.382%0.82267%0.673SS**  trans-135.515317660-87.2000109.3R114 K118R114-W116 PolarHBondContact O-N 2.85Å; W116-K118 HydrophobicContact CZ3-CB 4.1Å
117R91.2Very high77.9Confident233 Ų233137.4 Ų137.488%0.87964%0.643SS**  trans-128.5124.4177-168-178.8-166.8-153.45.7109.1K119R117-K119 PolarHBondContact O-N 3.14Å
118K87.6Confident75.9Confident173 Ų173138.5 Ų138.575%0.75266%0.658SS**PPolyproline II helixtrans-70.4119171.1-164.3173.1179.51790108.8W116 R120W116-K118 HydrophobicContact CZ3-CB 4.1Å; K118-R120 PolarHBondContact O-N 2.96Å
119K78.8Confident74Confident171 Ų171141.6 Ų141.674%0.74366%0.659SS**PPolyproline II helixtrans-68130168.7-163.6171.6-177.4177.90108.1R117 R121R117-K119 PolarHBondContact O-N 3.14Å; K119-R121 PolarHBondContact O-N 3.1Å
120R78.4Confident71.8Confident235 Ų235140.9 Ų140.989%0.88766%0.663SS**PPolyproline II helixtrans-62.2119.2171.2-82.6-172.3-83.8-169.1-3.2107.4K118 L122K118-R120 PolarHBondContact O-N 2.96Å; R120-L122 PolarHBondContact O-N 2.78Å
121R63.3Low69.5Low203 Ų203144.8 Ų144.877%0.76668%0.682SS**PPolyproline II helixtrans-72.7122.3171.9-66.2-170175.9-149.40.2106.7K119K119-R121 PolarHBondContact O-N 3.1Å
122L57.5Low67.1Low162 Ų162146.1 Ų146.185%0.84870%0.702SS**PPolyproline II helixtrans-63.2140.9159.4-67.2170.4000106.7R120 I124R120-L122 PolarHBondContact O-N 2.78Å; L122-I124 PolarHBondContact O-N 3.2Å
123N55.1Low64.9Low117 Ų117149.1 Ų149.163%0.62671%0.712SS**  trans-53.3110.7-175.5-72.9-46.7000109.9L125 E126N123-L125 PolarHBondContact O-N 3.02Å; N123-E126 PolarHBondContact O-N 2.56Å
124I54.8Low62.5Low97 Ų97152.5 Ų152.550%0.49771%0.712SS.*G310 helixtrans-59.9-19.5178.9-65.6170.2000111L122 L130L122-I124 PolarHBondContact O-N 3.2Å; I124-L130 HydrophobicContact CG2-CD1 3.44Å; I124-L130 VanDerWaalsContact CG2-CD1 3.44Å
125L50.6Low60.2Low158 Ų158153.7 Ų153.783%0.82772%0.721SS**G310 helixtrans-77.8-11.4177.6-88.4157.8000115.1N123N123-L125 PolarHBondContact O-N 3.02Å
126E48Very low57.5Low151 Ų151155.2 Ų155.271%0.70671%0.712SS**G310 helixtrans-101.83.4176.5-76.5173144.500112.8N123 P128N123-E126 PolarHBondContact O-N 2.56Å; E126-P128 VanDerWaalsContact O-CD 3.24Å; E126-P128 WeakPolarHBondContact O-CD 3.44Å
127D48.9Very low55.3Low46 Ų46151.9 Ų151.925%0.24671%0.709CS.*  trans-77.6113.3170.9-164.8-31.1000108.9R129 L130D127-R129 PolarHBondContact O-N 3.2Å; D127-R129 WeakPolarHBondContact OD1-CB 3.43Å; D127-R129 WeakPolarHBondContact OD1-CG 3.33Å; D127-R129 IonicContact OD1-CZ 3.6Å; D127-R129 PolarHBondContact OD1-N 3.11Å; D127-R129 IonicContact OD1-NE 3.69Å; D127-R129 PolarHBondContact OD1-NE 2.97Å; D127-R129 IonicContact OD1-NH2 3.51Å; D127-R129 IonicContact OD2-CZ 2.74Å; D127-R129 IonicContact OD2-NE 3.51Å; D127-R129 PolarHBondContact OD2-NE 3.27Å; D127-R129 IonicContact OD2-NH2 3.9Å; D127-R129 PolarHBondContact OD2-NH2 3.21Å; D127-L130 HydrophobicContact CB-CD1 4.26Å; D127-L130 HydrophobicContact CB-CG 4.36Å; D127-L130 PolarHBondContact O-N 3.36Å
128P52.3Low52.6Low104 Ų104147.9 Ų147.968%0.67571%0.705SS**THydrogen-bonded Turntrans-58.8-13.4-177.6-22.634.2000113.9E126E126-P128 VanDerWaalsContact O-CD 3.24Å; E126-P128 WeakPolarHBondContact O-CD 3.44Å
129R53.8Low50.5Low205 Ų205149.7 Ų149.777%0.77471%0.708SS**THydrogen-bonded Turntrans-86.5-8.7179.2-58.6174.5-67.11762.7114.2D127D127-R129 PolarHBondContact O-N 3.2Å; D127-R129 WeakPolarHBondContact OD1-CB 3.43Å; D127-R129 WeakPolarHBondContact OD1-CG 3.33Å; D127-R129 IonicContact OD1-CZ 3.6Å; D127-R129 PolarHBondContact OD1-N 3.11Å; D127-R129 IonicContact OD1-NE 3.69Å; D127-R129 PolarHBondContact OD1-NE 2.97Å; D127-R129 IonicContact OD1-NH2 3.51Å; D127-R129 IonicContact OD2-CZ 2.74Å; D127-R129 IonicContact OD2-NE 3.51Å; D127-R129 PolarHBondContact OD2-NE 3.27Å; D127-R129 IonicContact OD2-NH2 3.9Å; D127-R129 PolarHBondContact OD2-NH2 3.21Å
130L49.2Very low48.7Very low108 Ų108149.7 Ų149.757%0.56571%0.711SS**SBendtrans-112.24.7-179.9-62.7178.3000112.8I124 D127I124-L130 HydrophobicContact CG2-CD1 3.44Å; I124-L130 VanDerWaalsContact CG2-CD1 3.44Å; D127-L130 HydrophobicContact CB-CD1 4.26Å; D127-L130 HydrophobicContact CB-CG 4.36Å; D127-L130 PolarHBondContact O-N 3.36Å
131L47Very low46.6Very low110 Ų110145.3 Ų145.358%0.57671%0.711SS**SBendtrans-68.3127.7168.7-71.8172.3000108.8I133L131-I133 PolarHBondContact O-N 3.29Å
132P44.2Very low45.2Very low115 Ų115141.4 Ų141.475%0.74771%0.714SS**  trans-55.6124.2169-21.832.5000109E134P132-E134 PolarHBondContact O-N 2.95Å
133I46.5Very low44.2Very low142 Ų142141.6 Ų141.673%0.72872%0.715SS**  trans-67100.1170.2-63.4170000106.3L131 F135L131-I133 PolarHBondContact O-N 3.29Å; I133-F135 HydrophobicContact CG2-CD2 3.95Å; I133-F135 HydrophobicContact CG2-CE2 3.88Å; I133-F135 PolarHBondContact O-N 3.33Å
134E38.5Very low43.2Very low167 Ų167145.2 Ų145.278%0.7873%0.726SS**  trans-6999.8167.9-74.9-173.9172.700108.1P132 K136P132-E134 PolarHBondContact O-N 2.95Å; E134-K136 PolarHBondContact O-N 3.43Å
135F38.4Very low42.1Very low176 Ų176149.2 Ų149.277%0.77274%0.739SS**  trans-66.598.9164.3-86.2-89000108.4I133 I137I133-F135 HydrophobicContact CG2-CD2 3.95Å; I133-F135 HydrophobicContact CG2-CE2 3.88Å; I133-F135 PolarHBondContact O-N 3.33Å; F135-I137 PolarHBondContact O-N 2.94Å; F135-I137 VanDerWaalsContact O-N 3.17Å
136K35.8Very low41.1Very low169 Ų169148.8 Ų148.874%0.73573%0.733SS**  trans-71.5103.2160.7-76.7-163.5176.5-174.80108.3E134 D138E134-K136 PolarHBondContact O-N 3.43Å; K136-D138 PolarHBondContact O-N 3.47Å
137I41.1Very low40.4Very low148 Ų148145.3 Ų145.376%0.75974%0.738SS**  trans-7698.4164.2-59.1172.2000105.9F135 Y139F135-I137 PolarHBondContact O-N 2.94Å; F135-I137 VanDerWaalsContact O-N 3.17Å; I137-Y139 VanDerWaalsContact C-N 3.25Å; I137-Y139 PolarHBondContact O-N 2.88Å
138D35.3Very low39.5Very low149 Ų149147 Ų14780%0.79777%0.766SS**  trans-72.783.3171.7-75.8-25.3000109.3K136K136-D138 PolarHBondContact O-N 3.47Å
139Y43.2Very low38.5Very low210 Ų210149.9 Ų149.982%0.82477%0.774SS**  trans-9480.2162.6-178.3-94.8000108.4I137I137-Y139 VanDerWaalsContact C-N 3.25Å; I137-Y139 PolarHBondContact O-N 2.88Å
140E40.6Very low38.3Very low172 Ų172144.7 Ų144.780%0.80477%0.767SS**  trans178.181151-109.3-169.6155.800111.3
141T34Very low37.4Very low142 Ų142147.3 Ų147.387%0.87178%0.781SS**SBendtrans-157.475.2146.2-19.90000110.7
142S34.8Very low36.9Very low121 Ų121145.3 Ų145.385%0.84679%0.787SS**  trans-170.469.7154-85.90000111.1
143L37.2Very low36.9Very low166 Ų166146 Ų14687%0.86979%0.791SS**  trans-129.589.4153.3-85.6172.8000108.2
144K32.2Very low36.7Very low194 Ų194145.5 Ų145.584%0.84380%0.795SS**  trans170.7124.8132.1-91.8159.7-174.6179.70111.3
145K32.5Very low36.6Very low180 Ų180144.7 Ų144.778%0.78380%0.795SS**  trans69135.3145.2-85-175.8168.8-112.30116.6
146E30.5Very low36.8Very low150 Ų150145 Ų14570%0.70180%0.799SS**  cis-151.6167.317-86.4-61.6156.300108.1
147G33.3Very low37.2Very low77 Ų77142.1 Ų142.179%0.79480%0.8SS**  trans-73.3166.2-178.300000116.8
148G29.3Very low37.2Very low81 Ų81142.6 Ų142.684%0.83580%0.803SS**  trans143.8112.3167.400000113.6
149I30.5Very low37.4Very low166 Ų166143.3 Ų143.385%0.85181%0.806SS**  trans-119.2155.3170.6-78.6176.9000105.7
150P49.8Very low37Very low96 Ų96137.9 Ų137.962%0.62381%0.805SS**  cis-134.8178.1-22.432.7-12.3000113.8
151D31.2Very low36.5Very low162 Ų162133 Ų13387%0.86680%0.801SS**  154125.8118.7-86.4-33.4000113.8
152G36.6Very low36.2Very low68 Ų68134.8 Ų134.870%0.70180%0.8SS**  trans124.7137.8155.700000117.4
153P44.2Very low35.9Very low129 Ų129134.4 Ų134.484%0.83879%0.792SS**  trans-90.3141.2-158.6-3.224000116.2L155P153-L155 VanDerWaalsContact C-N 3.34Å; P153-L155 PolarHBondContact O-N 2.79Å
154V42.1Very low35.4Very low133 Ų133133.7 Ų133.781%0.80679%0.789SS**  trans-73.568.5178.1-175.90000111.8
155L36.1Very low35.2Very low149 Ų149130.1 Ų130.178%0.7878%0.779SS**  trans-119.3-3.4176.7-166.855.5000114.9P153P153-L155 VanDerWaalsContact C-N 3.34Å; P153-L155 PolarHBondContact O-N 2.79Å
156E41.9Very low35.1Very low183 Ų183130.2 Ų130.286%0.85578%0.779SS**SBendtrans-103.7-13-173.7-146.1174.1179.100114.8
157S44Very low35Very low108 Ų108132.7 Ų132.776%0.75579%0.787SS**THydrogen-bonded Turntrans-92.4-0.1-173-50.60000115.8
158L42.7Very low34.8Very low158 Ų158134.6 Ų134.683%0.82778%0.783SS**THydrogen-bonded Turntrans-105.74.8-178-68.8173.6000114.3
159L39.1Very low34.6Very low164 Ų164139.3 Ų139.386%0.85978%0.784SS**SBendtrans-119.519.9-176.3-69.4177.9000115.5
160A34.7Very low34.5Very low96 Ų96137.5 Ų137.579%0.79378%0.781SS**  trans-112.4111169.700000110.2
161G29.8Very low33.4Very low71 Ų71140.6 Ų140.673%0.73278%0.784SS**  trans-86174.6177.900000114.3
162E28.6Very low33.1Very low179 Ų179142.2 Ų142.284%0.83679%0.787SS**  trans161.2111.9148.7-94.5-179.3133.900107.7
163T27.2Very low32.7Very low113 Ų113146.1 Ų146.169%0.69379%0.787SS**  71140.182.9660000116.1
164L27.3Very low31.9Very low151 Ų151148.8 Ų148.879%0.79179%0.788SS**  trans76.1142.5168.5-91.585.9000116.6
165D27.7Very low31.4Very low118 Ų118148 Ų14863%0.63179%0.785SS**  cis-163.7170.7-2-135-32.6000110.9
166K31.4Very low31.1Very low182 Ų182149.8 Ų149.879%0.79179%0.792SS**  trans-54.6151.3-174.2-62147179.4159.70116.9
167K26.5Very low30.8Very low202 Ų202145.7 Ų145.788%0.87878%0.784SS**  trans-138.6123.7136.3-160.9172178.6-172.60111.9
168V29.6Very low30.3Very low117 Ų117149 Ų14971%0.70979%0.787SS**  trans-72.1138.9177.4163.80000110.2
169E25.3Very low29.9Very low180 Ų180146.7 Ų146.784%0.84178%0.783SS**  trans-146.6148.2154-120.1168.5-150.700111.9
170T28.5Very low29.7Very low128 Ų128147.9 Ų147.979%0.78578%0.784SS**  trans-86.9150.9-150.234.40000114.5
171K26.1Very low29.6Very low162 Ų162152.2 Ų152.270%0.70479%0.785SS**  trans-78.8122.7178.1-167.7-175.1-170.7-158.40110.7E173K171-E173 HydrophobicContact CD-CG 4.33Å; K171-E173 WeakPolarHBondContact CE-OE1 3.29Å; K171-E173 HydrophobicContact CG-CG 4.14Å; K171-E173 IonicContact NZ-OE1 2.64Å; K171-E173 PolarHBondContact NZ-OE1 3.32Å
172E26Very low29.9Very low195 Ų195156.5 Ų156.591%0.91179%0.791SS**  trans-120.9121.5152.3-71.3-166.5152.300108
173E28Very low30.2Very low150 Ų150156.3 Ų156.370%0.70179%0.794SS**  trans-91126.4178-65.3-170.9151.700109.2K171K171-E173 HydrophobicContact CD-CG 4.33Å; K171-E173 WeakPolarHBondContact CE-OE1 3.29Å; K171-E173 HydrophobicContact CG-CG 4.14Å; K171-E173 IonicContact NZ-OE1 2.64Å; K171-E173 PolarHBondContact NZ-OE1 3.32Å
174E27.5Very low30.8Very low185 Ų185157 Ų15786%0.86480%0.798SS**  trans-124.1142.7161.7-90.3-89.7118.500108.8
175P31.7Very low30.9Very low116 Ų116153.4 Ų153.475%0.75380%0.797SS**PPolyproline II helixtrans-85.4149.4-155.433.3-34.9000114.4
176M29Very low31.2Very low187 Ų187154.6 Ų154.692%0.92180%0.803SS**PPolyproline II helixtrans-57.9139.2-177.7-163.7176.7-68.300114
177S36.7Very low31Very low97 Ų97155.5 Ų155.568%0.67881%0.808SS**PPolyproline II helixtrans-55.8140-173.152.90000117.6C179S177-C179 PolarHBondContact O-N 3.06Å
178E34Very low31.6Very low177 Ų177151.2 Ų151.283%0.82780%0.801SS**SBendtrans-5515.4177-161177.5172.500118Q180E178-Q180 PolarHBondContact O-N 3.01Å
179C32.8Very low31.7Very low110 Ų110153.6 Ų153.674%0.74380%0.804SS**THydrogen-bonded Turntrans-90.96.7-173.8-80.80000115.9S177S177-C179 PolarHBondContact O-N 3.06Å
180Q34.5Very low31.9Very low190 Ų190152.6 Ų152.689%0.88880%0.799SS**THydrogen-bonded Turntrans-117.117.6179.4-149.6172.713.800114.5E178E178-Q180 PolarHBondContact O-N 3.01Å
181K33.8Very low32.1Very low187 Ų187153.6 Ų153.681%0.81380%0.799SS**SBendtrans-111.19-177.5-88.6-177.8177.31780116.6
182L35.5Very low32.3Very low161 Ų161154.4 Ų154.484%0.84381%0.805SS**SBendtrans-123.330-173.9-69179.4000116.5
183L35.5Very low32.5Very low174 Ų174151.9 Ų151.991%0.91180%0.803SS**SBendtrans-135.832.4172.4-69.1177.3000114.6
184V38.9Very low32.7Very low129 Ų129152.4 Ų152.478%0.78281%0.81SS**  trans-135.684157.2-168.20000106.8
185G29.1Very low32.9Very low74 Ų74150.1 Ų150.176%0.76380%0.804SS**  trans-97.688.2165.600000107.7F187G185-F187 PolarHBondContact O-N 3.45Å
186D34.2Very low32.8Very low143 Ų143151.3 Ų151.377%0.76580%0.801SS**  trans-61.5126.7161.2-80.8-31.2000108.2
187F27.8Very low33.1Very low202 Ų202150.2 Ų150.289%0.88679%0.794SS**  trans-120.4117.5164.6-111.1-86.3000108.7G185G185-F187 PolarHBondContact O-N 3.45Å
188P38.5Very low32.8Very low111 Ų111154 Ų15472%0.72180%0.801SS**  trans-74.3138.2173.7-9.125.2000110.4
189H32.2Very low32.5Very low167 Ų167152.3 Ų152.377%0.77380%0.798SS**  trans-109.6100.9159.8-166.711.3000107.9
190E30.3Very low32.4Very low160 Ų160152.9 Ų152.975%0.74880%0.797SS**  trans-75.2136.3163.1-62.5-151151.700109.2
191L31Very low32.4Very low149 Ų149149.1 Ų149.178%0.7879%0.789SS**  trans-113114.6155-75.2174.5000106
192E30.4Very low32.1Very low178 Ų178150.1 Ų150.183%0.83279%0.794SS**  trans-62.5129.5174.3-65.7170.6158.300110.3
193V30.1Very low31.7Very low142 Ų142154.1 Ų154.186%0.86180%0.797SS**  trans-133.8112.8150.9-73.90000107.7
194D33.6Very low31.3Very low161 Ų161155.7 Ų155.786%0.86180%0.797SS**  trans-50.6132.7165.9-92.3-73.9000111.2
195D31.3Very low30.8Very low138 Ų138157.3 Ų157.374%0.73880%0.801SS**  -171.3132.6116.6-132.1-26.6000113.6
196M29.7Very low30.6Very low141 Ų141164.7 Ų164.770%0.69581%0.806SS**  trans57.3112.6143.3-132.5160.8-86.500124.2
197E35Very low30.3Very low164 Ų164163.6 Ų163.677%0.76681%0.805SS**  99.9126.2125.2-89.4176.6175.300125
198E30.3Very low30.3Very low175 Ų175163.5 Ų163.582%0.81880%0.804SS**  trans73.590.7145.1-83.7-167.3137.800123.6
199D27.3Very low29.6Very low143 Ų143162.8 Ų162.877%0.76581%0.807SS**  35.9119112.8-127.9-30.1000121.4
200V31.3Very low29.6Very low122 Ų122166.6 Ų166.674%0.73982%0.815SS**  157.7127.8113.8169.60000110.8
201P33.8Very low29.5Very low110 Ų110164 Ų16471%0.71482%0.82SS**  trans-103.7143.2-178.636.9-29.5000113.4
202K27.3Very low29.1Very low209 Ų209167.6 Ų167.691%0.90983%0.825SS**  trans-137.6111.3161.4-88.5179.6-177.8162.10114.3
203R28.8Very low29Very low244 Ų244162.8 Ų162.892%0.92182%0.824SS**  trans-58.9147.9160.2-72.2169.9151.7171.8-6112
204K27.2Very low29Very low207 Ų207162.6 Ų162.690%0.982%0.823SS**  trans-163.8120.7132.3-111.8174-175.9178.60112.8
205N26.6Very low28.7Very low164 Ų164158.4 Ų158.488%0.87782%0.818SS**  trans-68.9147.7160.7-69.5-21.3000110.4
206R25.9Very low28.7Very low228 Ų228155 Ų15586%0.8682%0.816SS**  -178.7108.2123.6-159.5160.975.5178.55113.9
207T27Very low28.8Very low120 Ų120157.2 Ų157.274%0.73683%0.826SS**  26.3147129.1-7.30000124.5
208K27.7Very low28.8Very low201 Ų201161.7 Ų161.787%0.87484%0.836SS**  trans79.6139.3152.1-92.9174.5175.3174.80116.2
209A25.3Very low28.8Very low95 Ų95162.9 Ų162.979%0.78584%0.839SS**  cis-162.8179.61100000111.2
210R30.8Very low28.9Very low247 Ų247166.3 Ų166.393%0.93284%0.841SS**  trans-58154.8-173.5-58.6167.7171.9-151.3-4.3116.8
211A28.2Very low28.9Very low105 Ų105169.5 Ų169.587%0.86885%0.848SS**  trans-156.2141.2137.400000111.7
212Y23.5Very low28.7Very low225 Ų225172.1 Ų172.188%0.88285%0.851SS**  trans-79.5140.5-176.8-152-101.4000110.1V214Y212-V214 HydrophobicContact CD1-CG2 4.41Å; Y212-V214 HydrophobicContact CE1-CG2 4.11Å
213G29.2Very low28.9Very low78 Ų78170.1 Ų170.180%0.80485%0.849SS**  trans-162102.5177.500000111.9
214V29.6Very low29.3Very low137 Ų137164.3 Ų164.383%0.8384%0.843SS**  trans-69.8136.3179.2168.90000110.7Y212Y212-V214 HydrophobicContact CD1-CG2 4.41Å; Y212-V214 HydrophobicContact CE1-CG2 4.11Å
215G27.9Very low29.9Very low74 Ų74158 Ų15876%0.76383%0.829SS**  trans176.688.2170.700000111.7
216G29.5Very low31.2Very low67 Ų67157.9 Ų157.969%0.69183%0.827SS**  trans-72140.9-178.700000113.4
217M32.2Very low32.5Very low186 Ų186154.2 Ų154.292%0.91682%0.819SS**  trans-140125.4154.5-87.8-64.1125.400108.9K219M217-K219 PolarHBondContact O-N 2.87Å
218R35.4Very low33.6Very low259 Ų259152.7 Ų152.798%0.97781%0.807SS**  trans-72.5113.1-174.4-66171.7172.7175.9-3.5109.7
219K30.7Very low34.9Very low200 Ų200152.9 Ų152.987%0.8780%0.802SS**  trans-113.199.5162.9-166.6170.1-177.5175.80108.2M217 Q221M217-K219 PolarHBondContact O-N 2.87Å; K219-Q221 PolarHBondContact O-N 3.38Å
220R29.8Very low36.8Very low215 Ų215154.9 Ų154.981%0.81180%0.799SS**  trans-61.5113172.7176.7-179.1-102.2-113.9-0.5108
221Q30.9Very low39Very low188 Ų188146.7 Ų146.788%0.87977%0.77SS**PPolyproline II helixtrans-78.4122.1163.2-77170.5-27.400107.2K219K219-Q221 PolarHBondContact O-N 3.38Å
222E28.8Very low41.5Very low166 Ų166146.1 Ų146.178%0.77676%0.758SS**PPolyproline II helixtrans-89.8129.7163.2-86.2-174.5157.200109
223L31.4Very low44.2Very low166 Ų166139.1 Ų139.187%0.86973%0.731SS**PPolyproline II helixtrans-67.5142.5174.3-69.1149.2000109.6A225L223-A225 PolarHBondContact O-N 3.18Å
224P38.8Very low47Very low123 Ų123138.5 Ų138.580%0.79971%0.711SS**PPolyproline II helixtrans-72.1130.4171.28.94.3000109.9
225A39.8Very low49.8Very low73 Ų73132 Ų13260%0.60367%0.672SS**PPolyproline II helixtrans-56.9134.9179.700000112.5L223 E227L223-A225 PolarHBondContact O-N 3.18Å; A225-E227 PolarHBondContact O-N 3.43Å
226I52Low52.3Low163 Ų163132.8 Ų132.884%0.83666%0.658SS**G310 helixtrans-69.7-4.9173.8-76.7163.4000112.3D228I226-D228 VanDerWaalsContact C-N 3.34Å; I226-D228 PolarHBondContact O-N 3.29Å
227E54.1Low54.8Low150 Ų150133.8 Ų133.870%0.70165%0.647SS**G310 helixtrans-79-3.9-174.6-67.6-174.6152.300115.8A225 R229A225-E227 PolarHBondContact O-N 3.43Å; E227-R229 PolarHBondContact O-N 3.12Å
228D50Low57.3Low89 Ų89127.5 Ų127.548%0.47662%0.621SS.*G310 helixtrans-76.6-12.8-175-138-3.1000112.2I226 D230 R241I226-D228 VanDerWaalsContact C-N 3.34Å; I226-D228 PolarHBondContact O-N 3.29Å; D228-D230 PolarHBondContact O-N 2.79Å; D228-R241 PolarHBondContact O-NH1 2.81Å; D228-R241 PolarHBondContact O-NH2 3.36Å
229R55.5Low59.4Low205 Ų205117.4 Ų117.477%0.77460%0.597SS**G310 helixtrans-74.5-20.5-173.1-74.8-83139.8171.3-6.8114.6E227 R241E227-R229 PolarHBondContact O-N 3.12Å; R229-R241 PolarHBondContact O-NH2 3.13Å
230D65.7Low61.9Low137 Ų137113.3 Ų113.373%0.73358%0.579SS**G310 helixtrans-99.113.2-170.8-64.8-43.1000115.7D228 P232D228-D230 PolarHBondContact O-N 2.79Å; D230-P232 WeakPolarHBondContact O-CD 3.35Å
231K77Confident64.5Low74 Ų74106.5 Ų106.532%0.32255%0.554SS.*  trans-106.196179.3-69.1172.1-168.2173.20110.4Y233 R241 Y242 K243K231-Y233 VanDerWaalsContact C-N 3.32Å; K231-Y233 PolarHBondContact O-N 2.73Å; K231-R241 HydrophobicContact CB-CB 3.67Å; K231-R241 HydrophobicContact CD-CB 4.24Å; K231-R241 PolarHBondContact O-NE 2.72Å; K231-R241 PolarHBondContact O-NH2 2.72Å; K231-Y242 CarbonylContact C-O 3.51Å; K231-Y242 WeakPolarHBondContact CB-O 2.87Å; K231-K243 HydrophobicContact CG-CB 4.22Å
232P80.2Confident67.1Low94 Ų94100.1 Ų100.161%0.6152%0.522SS*.  trans-74.6-18-17126.7-33.6000114D230D230-P232 WeakPolarHBondContact O-CD 3.35Å
233Y80.5Confident69.1Low78 Ų7895.3 Ų95.331%0.30650%0.499SS..EExtended strand (participates in β ladder)trans-98.8122.5-179.5-57.3-78.1000109.8K231 R241 Y242 K243 R245K231-Y233 VanDerWaalsContact C-N 3.32Å; K231-Y233 PolarHBondContact O-N 2.73Å; Y233-R241 CarbonylContact O-C 3.48Å; Y233-R241 WeakPolarHBondContact O-CA 3.37Å; Y233-Y242 WeakPolarHBondContact CB-O 3.4Å; Y233-Y242 PolarHBondContact N-O 3.49Å; Y233-Y242 PolarHBondContact O-N 3.18Å; Y233-Y242 VanDerWaalsContact O-O 3.05Å; Y233-K243 WeakPolarHBondContact CD2-O 3.47Å; Y233-K243 WeakPolarHBondContact CE2-O 3.42Å; Y233-R245 HydrophobicContact CD1-CB 4.33Å; Y233-R245 HydrophobicContact CE1-CB 3.97Å; Y233-R245 VanDerWaalsContact CE1-CD 3.5Å; Y233-R245 HydrophobicContact CE1-CG 4.36Å
234V87.1Confident71.2Confident65 Ų6590.4 Ų90.439%0.39447%0.473SS..EExtended strand (participates in β ladder)trans-121.9136.3-178.7-173.40000108.9D236 R241V234-D236 PolarHBondContact O-N 3.45Å; V234-R241 HydrophobicContact CB-CG 4.46Å; V234-R241 HydrophobicContact CG1-CG 4.1Å; V234-R241 HydrophobicContact CG2-CB 4.3Å; V234-R241 HydrophobicContact CG2-CG 3.78Å
235C88.1Confident72.7Confident1 Ų192.7 Ų92.71%0.00747%0.466CS..  trans-70.6120.7167.8-175.60000109.6I237 G239 K240 Y242 L248 H251 H256C235-I237 PolarHBondContact O-N 2.99Å; C235-I237 PolarHBondContact SG-N 3.34Å; C235-G239 WeakPolarHBondContact O-CA 3.19Å; C235-G239 PolarHBondContact O-N 3.23Å; C235-K240 PolarHBondContact N-O 2.66Å; C235-Y242 HydrophobicContact CB-CE2 4.41Å; C235-L248 HydrophobicContact CB-CD1 3.83Å; C235-H251 WeakPolarHBondContact CB-CD2 3.44Å; C235-H251 WeakPolarHBondContact CB-NE2 3.22Å; C235-H251 VanDerWaalsContact SG-CD2 3.54Å; C235-H251 PolarHBondContact SG-NE2 3.33Å; C235-H256 VanDerWaalsContact SG-CD2 3.59Å
236D81.4Confident74.5Confident89 Ų8993 Ų9348%0.47646%0.462SS..THydrogen-bonded Turntrans-66.9-20.5173.955.3-33.3000113.6M74 V234 Y252M74-D236 VanDerWaalsContact SD-OD2 3.42Å; V234-D236 PolarHBondContact O-N 3.45Å; D236-Y252 WeakPolarHBondContact OD1-CE2 3.07Å
237I80.6Confident76Confident88 Ų8886.4 Ų86.445%0.45143%0.434SS..THydrogen-bonded Turntrans-90.5-46-179-52.4173.2000112.2C235 Y252 H256C235-I237 PolarHBondContact O-N 2.99Å; C235-I237 PolarHBondContact SG-N 3.34Å; I237-Y252 HydrophobicContact CD1-CD2 4.16Å; I237-Y252 HydrophobicContact CD1-CE2 3.47Å; I237-Y252 VanDerWaalsContact CD1-CE2 3.47Å; I237-Y252 HydrophobicContact CG1-CE2 3.98Å; I237-H256 HydrophobicContact CD1-CB 3.43Å; I237-H256 VanDerWaalsContact CD1-CB 3.43Å; I237-H256 HydrophobicContact CG2-CB 4.37Å; I237-H256 WeakPolarHBondContact CG2-CE1 3.39Å; I237-H256 WeakPolarHBondContact CG2-ND1 3.18Å
238C84.6Confident77.5Confident54 Ų5480.3 Ų80.337%0.36541%0.406SS..THydrogen-bonded Turntrans-1185179.984.10000115.7K240 H251 H256C238-K240 PolarHBondContact O-N 3.06Å; C238-K240 VanDerWaalsContact O-N 3.14Å; C238-K240 VanDerWaalsContact SG-CG 3.52Å; C238-H251 PolarHBondContact SG-CE1 3.4Å; C238-H251 PolarHBondContact SG-NE2 2.76Å; C238-H256 WeakPolarHBondContact CB-NE2 3.29Å
239G79.4Confident78.9Confident47 Ų4778.5 Ų78.549%0.48540%0.4SS..  trans72.12.8175.800000115.7C235 R241C235-G239 WeakPolarHBondContact O-CA 3.19Å; C235-G239 PolarHBondContact O-N 3.23Å; G239-R241 PolarHBondContact O-N 2.69Å
240K83.4Confident80.2Confident114 Ų11471.4 Ų71.450%0.49637%0.374SS..  trans-67.9133179.5-78.2176.5-171.1169.10110.3C235 C238 Y242C235-K240 PolarHBondContact N-O 2.66Å; C238-K240 PolarHBondContact O-N 3.06Å; C238-K240 VanDerWaalsContact O-N 3.14Å; C238-K240 VanDerWaalsContact SG-CG 3.52Å; K240-Y242 HydrophobicContact CB-CE2 3.53Å; K240-Y242 WeakPolarHBondContact CD-OH 3.22Å; K240-Y242 VanDerWaalsContact O-CD2 3.31Å; K240-Y242 WeakPolarHBondContact O-CD2 3.26Å; K240-Y242 VanDerWaalsContact O-CE2 3.32Å; K240-Y242 WeakPolarHBondContact O-CE2 3.36Å
241R85Confident81.2Confident73 Ų7365.2 Ų65.228%0.27534%0.34SS..EExtended strand (participates in β ladder)trans-96.9136.9-179.1-49.6-172.264.1-167.6-13.3110.4D228 R229 K231 Y233 V234 G239D228-R241 PolarHBondContact O-NH1 2.81Å; D228-R241 PolarHBondContact O-NH2 3.36Å; R229-R241 PolarHBondContact O-NH2 3.13Å; K231-R241 HydrophobicContact CB-CB 3.67Å; K231-R241 HydrophobicContact CD-CB 4.24Å; K231-R241 PolarHBondContact O-NE 2.72Å; K231-R241 PolarHBondContact O-NH2 2.72Å; Y233-R241 CarbonylContact O-C 3.48Å; Y233-R241 WeakPolarHBondContact O-CA 3.37Å; V234-R241 HydrophobicContact CB-CG 4.46Å; V234-R241 HydrophobicContact CG1-CG 4.1Å; V234-R241 HydrophobicContact CG2-CB 4.3Å; V234-R241 HydrophobicContact CG2-CG 3.78Å; G239-R241 PolarHBondContact O-N 2.69Å
242Y85.9Confident81.3Confident53 Ų5365.9 Ų65.921%0.20834%0.341CS..EExtended strand (participates in β ladder)trans-128.1144.2-176.8-63.3-86.6000109K231 Y233 C235 K240 L248 H251K231-Y242 CarbonylContact C-O 3.51Å; K231-Y242 WeakPolarHBondContact CB-O 2.87Å; Y233-Y242 WeakPolarHBondContact CB-O 3.4Å; Y233-Y242 PolarHBondContact N-O 3.49Å; Y233-Y242 PolarHBondContact O-N 3.18Å; Y233-Y242 VanDerWaalsContact O-O 3.05Å; C235-Y242 HydrophobicContact CB-CE2 4.41Å; K240-Y242 HydrophobicContact CB-CE2 3.53Å; K240-Y242 WeakPolarHBondContact CD-OH 3.22Å; K240-Y242 VanDerWaalsContact O-CD2 3.31Å; K240-Y242 WeakPolarHBondContact O-CD2 3.26Å; K240-Y242 VanDerWaalsContact O-CE2 3.32Å; K240-Y242 WeakPolarHBondContact O-CE2 3.36Å; Y242-L248 HydrophobicContact CD2-CB 4.27Å; Y242-L248 HydrophobicContact CD2-CD1 3.78Å; Y242-L248 HydrophobicContact CE2-CD1 4.26Å; Y242-L248 HydrophobicContact CG-CB 4.33Å; Y242-H251 HydrophobicContact CE1-CB 3.83Å; Y242-H251 HydrophobicContact CE2-CB 3.73Å; Y242-H251 AromaticContact CE2-CD2 3.29Å; Y242-H251 WeakPolarHBondContact CE2-CD2 3.39Å; Y242-H251 AromaticContact CE2-CG 3.5Å; Y242-H251 VanDerWaalsContact CE2-CG 3.5Å; Y242-H251 AromaticContact CE2-NE2 3.96Å; Y242-H251 AromaticContact CZ-CD2 3.62Å; Y242-H251 AromaticContact CZ-CG 3.3Å; Y242-H251 AromaticContact CZ-ND1 3.87Å; Y242-H251 WeakPolarHBondContact OH-CB 3.43Å; Y242-H251 PolarHBondContact OH-CD2 3.36Å; Y242-H251 PolarHBondContact OH-ND1 2.5Å
243K70Confident81Confident66 Ų6663.5 Ų63.529%0.28733%0.325SS..SBendtrans-80-25.6-178.434.9166.6-172.1-158.60113.4K231 Y233 D358 D359K231-K243 HydrophobicContact CG-CB 4.22Å; Y233-K243 WeakPolarHBondContact CD2-O 3.47Å; Y233-K243 WeakPolarHBondContact CE2-O 3.42Å; K243-D358 WeakPolarHBondContact CE-OD2 3.4Å; K243-D358 IonicContact NZ-OD1 3.3Å; K243-D358 PolarHBondContact NZ-OD1 3.49Å; K243-D358 IonicContact NZ-OD2 2.82Å; K243-D358 PolarHBondContact NZ-OD2 2.9Å; K243-D359 HydrophobicContact CD-CB 3.63Å; K243-D359 VanDerWaalsContact NZ-CB 3.27Å
244N75.3Confident80.2Confident62 Ų6262.2 Ų62.233%0.33232%0.322SS..SBendtrans-134.2149.3-175.6-42.470.3000111.6G247 L248N244-G247 PolarHBondContact O-N 3.45Å; N244-L248 PolarHBondContact O-N 3.01Å
245R70.8Confident79.7Confident172 Ų17261.9 Ų61.965%0.64932%0.32SS*.Hα-helixtrans-57.1-40.6178.7-163.682.3171.9-166.2-1113.7Y233 G247 L248 S249Y233-R245 HydrophobicContact CD1-CB 4.33Å; Y233-R245 HydrophobicContact CE1-CB 3.97Å; Y233-R245 VanDerWaalsContact CE1-CD 3.5Å; Y233-R245 HydrophobicContact CE1-CG 4.36Å; R245-G247 PolarHBondContact O-N 2.96Å; R245-L248 PolarHBondContact O-N 3.3Å; R245-S249 WeakPolarHBondContact O-CB 3.49Å; R245-S249 PolarHBondContact O-N 3.22Å
246P78.5Confident79.1Confident79 Ų7964.1 Ų64.151%0.51333%0.33SS..Hα-helixtrans-63.2-38.7176.4-24.736.5000113.1S249 Y250P246-S249 PolarHBondContact O-N 3.34Å; P246-Y250 WeakPolarHBondContact O-CB 2.97Å; P246-Y250 PolarHBondContact O-N 3.38Å
247G82.6Confident78.2Confident24 Ų2465.3 Ų65.325%0.24734%0.336CS..Hα-helixtrans-64.7-39.917600000112.6N244 R245 H251N244-G247 PolarHBondContact O-N 3.45Å; R245-G247 PolarHBondContact O-N 2.96Å; G247-H251 WeakPolarHBondContact O-CB 3.47Å; G247-H251 PolarHBondContact O-N 3.13Å
248L86.2Confident76.7Confident23 Ų2364.7 Ų64.712%0.1234%0.344CS..Hα-helixtrans-65.4-44.2171.9176.662.6000111.7C235 Y242 N244 R245 Y250 H251 Y252C235-L248 HydrophobicContact CB-CD1 3.83Å; Y242-L248 HydrophobicContact CD2-CB 4.27Å; Y242-L248 HydrophobicContact CD2-CD1 3.78Å; Y242-L248 HydrophobicContact CE2-CD1 4.26Å; Y242-L248 HydrophobicContact CG-CB 4.33Å; N244-L248 PolarHBondContact O-N 3.01Å; R245-L248 PolarHBondContact O-N 3.3Å; L248-Y250 VanDerWaalsContact C-N 3.35Å; L248-Y250 PolarHBondContact O-N 3.24Å; L248-H251 PolarHBondContact O-N 3Å; L248-Y252 WeakPolarHBondContact O-CB 3.28Å; L248-Y252 PolarHBondContact O-N 2.87Å
249S78.8Confident74.8Confident50 Ų5068.9 Ų68.935%0.3536%0.363SS..Hα-helixtrans-60.5-43.7178.4-1720000111.7R245 P246 Y252 T253R245-S249 WeakPolarHBondContact O-CB 3.49Å; R245-S249 PolarHBondContact O-N 3.22Å; P246-S249 PolarHBondContact O-N 3.34Å; S249-Y252 PolarHBondContact O-N 2.89Å; S249-T253 WeakPolarHBondContact O-CB 3.42Å; S249-T253 WeakPolarHBondContact O-CG2 3.25Å; S249-T253 PolarHBondContact O-N 3.32Å; S249-T253 PolarHBondContact O-OG1 3.13Å
250Y82.9Confident73.5Confident57 Ų5774.4 Ų74.422%0.22438%0.376CS..Hα-helixtrans-59.5-51.2173.1-177.9-92.9000110.8P246 L248 Y252 T253 H254 I344P246-Y250 WeakPolarHBondContact O-CB 2.97Å; P246-Y250 PolarHBondContact O-N 3.38Å; L248-Y250 VanDerWaalsContact C-N 3.35Å; L248-Y250 PolarHBondContact O-N 3.24Å; Y250-Y252 VanDerWaalsContact C-N 3.33Å; Y250-Y252 PolarHBondContact O-N 2.91Å; Y250-T253 WeakPolarHBondContact CA-OG1 3.45Å; Y250-T253 PolarHBondContact O-N 2.72Å; Y250-T253 PolarHBondContact O-OG1 3.26Å; Y250-H254 AromaticContact CD1-CD2 3.73Å; Y250-H254 AromaticContact CD2-CD2 3.19Å; Y250-H254 WeakPolarHBondContact CD2-CD2 3.32Å; Y250-H254 AromaticContact CD2-NE2 3.29Å; Y250-H254 VanDerWaalsContact CD2-NE2 3.29Å; Y250-H254 WeakPolarHBondContact CD2-NE2 3.15Å; Y250-H254 HydrophobicContact CE1-CB 4.41Å; Y250-H254 AromaticContact CE1-CD2 3.61Å; Y250-H254 AromaticContact CE2-CD2 3.07Å; Y250-H254 WeakPolarHBondContact CE2-CD2 3.36Å; Y250-H254 AromaticContact CE2-CE1 3.83Å; Y250-H254 AromaticContact CE2-NE2 2.87Å; Y250-H254 WeakPolarHBondContact CE2-NE2 3.38Å; Y250-H254 AromaticContact CG-CD2 3.52Å; Y250-H254 AromaticContact CZ-CD2 3.25Å; Y250-H254 AromaticContact CZ-CG 3.83Å; Y250-H254 AromaticContact CZ-NE2 3.4Å; Y250-H254 WeakPolarHBondContact O-CB 3.48Å; Y250-H254 PolarHBondContact O-CD2 3.42Å; Y250-H254 PolarHBondContact O-N 3.18Å; Y250-I344 HydrophobicContact CD2-CG2 3.72Å; Y250-I344 HydrophobicContact CE1-CG2 4.39Å; Y250-I344 HydrophobicContact CE2-CG2 3.47Å; Y250-I344 VanDerWaalsContact CE2-CG2 3.47Å; Y250-I344 HydrophobicContact CG-CG2 4.28Å
251H86.2Confident71.4Confident6 Ų677.7 Ų77.73%0.02839%0.393CS..Hα-helixtrans-59-43.7178.216662.5000113.3C235 C238 Y242 G247 L248 T253 H254 T255 H256C235-H251 WeakPolarHBondContact CB-CD2 3.44Å; C235-H251 WeakPolarHBondContact CB-NE2 3.22Å; C235-H251 VanDerWaalsContact SG-CD2 3.54Å; C235-H251 PolarHBondContact SG-NE2 3.33Å; C238-H251 PolarHBondContact SG-CE1 3.4Å; C238-H251 PolarHBondContact SG-NE2 2.76Å; Y242-H251 HydrophobicContact CE1-CB 3.83Å; Y242-H251 HydrophobicContact CE2-CB 3.73Å; Y242-H251 AromaticContact CE2-CD2 3.29Å; Y242-H251 WeakPolarHBondContact CE2-CD2 3.39Å; Y242-H251 AromaticContact CE2-CG 3.5Å; Y242-H251 VanDerWaalsContact CE2-CG 3.5Å; Y242-H251 AromaticContact CE2-NE2 3.96Å; Y242-H251 AromaticContact CZ-CD2 3.62Å; Y242-H251 AromaticContact CZ-CG 3.3Å; Y242-H251 AromaticContact CZ-ND1 3.87Å; Y242-H251 WeakPolarHBondContact OH-CB 3.43Å; Y242-H251 PolarHBondContact OH-CD2 3.36Å; Y242-H251 PolarHBondContact OH-ND1 2.5Å; G247-H251 WeakPolarHBondContact O-CB 3.47Å; G247-H251 PolarHBondContact O-N 3.13Å; L248-H251 PolarHBondContact O-N 3Å; H251-T253 VanDerWaalsContact C-N 3.31Å; H251-T253 PolarHBondContact O-N 2.94Å; H251-H254 PolarHBondContact O-N 3.48Å; H251-T255 PolarHBondContact CE1-OG1 3.35Å; H251-T255 PolarHBondContact ND1-OG1 3.46Å; H251-T255 VanDerWaalsContact O-CB 3.29Å; H251-T255 WeakPolarHBondContact O-CB 3.48Å; H251-T255 PolarHBondContact O-N 3.31Å; H251-T255 PolarHBondContact O-OG1 3.01Å; H251-T255 VanDerWaalsContact O-OG1 3.13Å; H251-H256 AromaticContact CE1-NE2 3.61Å; H251-H256 AromaticContact NE2-CD2 3.84Å; H251-H256 AromaticContact NE2-NE2 3.53Å
252Y79.4Confident69.1Low88 Ų8877.8 Ų77.835%0.34542%0.417SS..Hα-helixtrans-60.1-42.7178.6-160.5-91000111.5D236 I237 L248 S249 Y250 H256 L257D236-Y252 WeakPolarHBondContact OD1-CE2 3.07Å; I237-Y252 HydrophobicContact CD1-CD2 4.16Å; I237-Y252 HydrophobicContact CD1-CE2 3.47Å; I237-Y252 VanDerWaalsContact CD1-CE2 3.47Å; I237-Y252 HydrophobicContact CG1-CE2 3.98Å; L248-Y252 WeakPolarHBondContact O-CB 3.28Å; L248-Y252 PolarHBondContact O-N 2.87Å; S249-Y252 PolarHBondContact O-N 2.89Å; Y250-Y252 VanDerWaalsContact C-N 3.33Å; Y250-Y252 PolarHBondContact O-N 2.91Å; Y252-H256 PolarHBondContact O-N 3.47Å; Y252-L257 HydrophobicContact CD1-CD1 3.91Å; Y252-L257 HydrophobicContact CE1-CD1 4.21Å
253T74.6Confident66.7Low44 Ų4484.7 Ų84.727%0.2745%0.451SS..Hα-helixtrans-74.8-30.3178.749.40000114.2S249 Y250 H251 L257S249-T253 WeakPolarHBondContact O-CB 3.42Å; S249-T253 WeakPolarHBondContact O-CG2 3.25Å; S249-T253 PolarHBondContact O-N 3.32Å; S249-T253 PolarHBondContact O-OG1 3.13Å; Y250-T253 WeakPolarHBondContact CA-OG1 3.45Å; Y250-T253 PolarHBondContact O-N 2.72Å; Y250-T253 PolarHBondContact O-OG1 3.26Å; H251-T253 VanDerWaalsContact C-N 3.31Å; H251-T253 PolarHBondContact O-N 2.94Å; T253-L257 HydrophobicContact CG2-CD1 4.02Å
254H64.4Low65.1Low51 Ų5191.1 Ų91.124%0.23648%0.482CS..Hα-helixtrans-97.5-19.7-176-76.2-74.3000115.7Y250 H251 F297Y250-H254 AromaticContact CD1-CD2 3.73Å; Y250-H254 AromaticContact CD2-CD2 3.19Å; Y250-H254 WeakPolarHBondContact CD2-CD2 3.32Å; Y250-H254 AromaticContact CD2-NE2 3.29Å; Y250-H254 VanDerWaalsContact CD2-NE2 3.29Å; Y250-H254 WeakPolarHBondContact CD2-NE2 3.15Å; Y250-H254 HydrophobicContact CE1-CB 4.41Å; Y250-H254 AromaticContact CE1-CD2 3.61Å; Y250-H254 AromaticContact CE2-CD2 3.07Å; Y250-H254 WeakPolarHBondContact CE2-CD2 3.36Å; Y250-H254 AromaticContact CE2-CE1 3.83Å; Y250-H254 AromaticContact CE2-NE2 2.87Å; Y250-H254 WeakPolarHBondContact CE2-NE2 3.38Å; Y250-H254 AromaticContact CG-CD2 3.52Å; Y250-H254 AromaticContact CZ-CD2 3.25Å; Y250-H254 AromaticContact CZ-CG 3.83Å; Y250-H254 AromaticContact CZ-NE2 3.4Å; Y250-H254 WeakPolarHBondContact O-CB 3.48Å; Y250-H254 PolarHBondContact O-CD2 3.42Å; Y250-H254 PolarHBondContact O-N 3.18Å; H251-H254 PolarHBondContact O-N 3.48Å; H254-F297 AromaticContact CD2-CE1 3.96Å; H254-F297 AromaticContact CE1-CD1 3.59Å; H254-F297 AromaticContact CE1-CE1 3.24Å; H254-F297 WeakPolarHBondContact CE1-CE1 3.34Å; H254-F297 AromaticContact CE1-CZ 3.48Å; H254-F297 VanDerWaalsContact CE1-CZ 3.48Å; H254-F297 WeakPolarHBondContact CE1-CZ 3.34Å; H254-F297 AromaticContact NE2-CD1 3.68Å; H254-F297 AromaticContact NE2-CE1 2.91Å; H254-F297 WeakPolarHBondContact NE2-CE1 3.37Å; H254-F297 AromaticContact NE2-CZ 3.22Å; H254-F297 WeakPolarHBondContact NE2-CZ 3.46Å
255T74.7Confident62.9Low58 Ų5895 Ų9536%0.35650%0.503SS..Hα-helixtrans-110.9-26.5-174.5-46.60000113.2H251H251-T255 PolarHBondContact CE1-OG1 3.35Å; H251-T255 PolarHBondContact ND1-OG1 3.46Å; H251-T255 VanDerWaalsContact O-CB 3.29Å; H251-T255 WeakPolarHBondContact O-CB 3.48Å; H251-T255 PolarHBondContact O-N 3.31Å; H251-T255 PolarHBondContact O-OG1 3.01Å; H251-T255 VanDerWaalsContact O-OG1 3.13Å
256H76.6Confident61.2Low49 Ų4991.5 Ų91.523%0.22751%0.505CS..THydrogen-bonded Turntrans-121.1-13.1-171.3-64.7-54.5000114.7C235 I237 C238 H251 Y252C235-H256 VanDerWaalsContact SG-CD2 3.59Å; I237-H256 HydrophobicContact CD1-CB 3.43Å; I237-H256 VanDerWaalsContact CD1-CB 3.43Å; I237-H256 HydrophobicContact CG2-CB 4.37Å; I237-H256 WeakPolarHBondContact CG2-CE1 3.39Å; I237-H256 WeakPolarHBondContact CG2-ND1 3.18Å; C238-H256 WeakPolarHBondContact CB-NE2 3.29Å; H251-H256 AromaticContact CE1-NE2 3.61Å; H251-H256 AromaticContact NE2-CD2 3.84Å; H251-H256 AromaticContact NE2-NE2 3.53Å; Y252-H256 PolarHBondContact O-N 3.47Å
257L61.9Low58.9Low114 Ų11496.4 Ų96.460%0.59752%0.521SS*.SBendtrans-101.69.9-179.8-84.8158.2000113.5Y252 T253Y252-L257 HydrophobicContact CD1-CD1 3.91Å; Y252-L257 HydrophobicContact CE1-CD1 4.21Å; T253-L257 HydrophobicContact CG2-CD1 4.02Å
258A49.9Very low56.9Low75 Ų75106.7 Ų106.762%0.6255%0.552SS**SBendtrans-101.2-6.3-177.400000115.2
259D44.8Very low54.2Low142 Ų142114.8 Ų114.876%0.75959%0.589SS**SBendtrans-1130.8-169.5-69.1-26.1000115.2
260E50.9Low52.2Low162 Ų162118.9 Ų118.976%0.75761%0.612SS**  trans-108.890.2174.2-61.1-160.5153.700109.8
261E40.8Very low49.6Very low184 Ų184124 Ų12486%0.8664%0.642SS**SBend157.486.5129.2-79.5170.5-159.100113.6
262G35Very low47.6Very low75 Ų75129.1 Ų129.177%0.77368%0.676SS**  101114.5129.500000119.6
263E36.6Very low45.2Very low197 Ų197133.8 Ų133.892%0.92170%0.699SS**  trans-148.9114145.2-75-166.1171.900112
264E36.3Very low43.5Very low202 Ų202140 Ų14094%0.94473%0.725SS**  -125.6133.3129.5-92.3-171.5158.800103.4
265D30.1Very low42.2Very low144 Ų144149.1 Ų149.177%0.7776%0.757SS**  cis-163.113625.6169.233.3000108.4
266S34Very low40.2Very low97 Ų97153.9 Ų153.968%0.67877%0.773SS**  trans165.8118.1130.8-79.20000113
267E30.8Very low38.7Very low182 Ų182156.5 Ų156.585%0.8580%0.796SS**  trans7990.3149.2-56.7-167.9153.500119.5H269E267-H269 PolarHBondContact O-N 2.9Å
268R39.6Very low37.7Very low241 Ų241156.6 Ų156.691%0.90980%0.798SS**  trans5.9107.4140.9-59.9178.3-143.4-160.63115.5
269H29.5Very low38.2Very low193 Ų193156.7 Ų156.789%0.89479%0.785SS**  trans-138.2111.6130.9-91174.9000109.4E267 L271E267-H269 PolarHBondContact O-N 2.9Å; H269-L271 PolarHBondContact O-N 3.37Å
270T37.2Very low39Very low136 Ų136158.2 Ų158.283%0.83479%0.785SS**  trans-55.7113.3169.929.80000111.1
271L28.5Very low39.8Very low164 Ų164152.7 Ų152.786%0.85976%0.763SS**  trans-147.8132.7149.8-74.6-175.8000112.1H269H269-L271 PolarHBondContact O-N 3.37Å
272P44.4Very low41.4Very low114 Ų114150.8 Ų150.874%0.7475%0.752SS**  trans-86.8113.7-178.431.8-29.1000110.6
273F29.5Very low43.4Very low186 Ų186153.9 Ų153.982%0.81674%0.744SS**  trans-149.7108.2165.1-114.7-86.2000112.8R275F273-R275 PolarHBondContact O-N 2.87Å; F273-R275 VanDerWaalsContact O-N 3.08Å
274Q39.1Very low45.3Very low175 Ų175145.5 Ų145.582%0.81871%0.708SS**  trans-48.1111.9150.2-68.9175.5-6100108.1K276Q274-K276 VanDerWaalsContact C-N 3.32Å; Q274-K276 PolarHBondContact O-N 2.92Å
275R36.4Very low46.8Very low241 Ų241142.9 Ų142.991%0.90971%0.709SS**  trans-70.690.4175.1-80.3-172.9178.2-177.52.5109.6F273 S277F273-R275 PolarHBondContact O-N 2.87Å; F273-R275 VanDerWaalsContact O-N 3.08Å; R275-S277 PolarHBondContact O-N 2.75Å
276K33.4Very low48.9Very low159 Ų159141.9 Ų141.969%0.69170%0.704SS**  trans-63.5119.7152.5-67.5-179.6179.9178.40106.6Q274 N278Q274-K276 VanDerWaalsContact C-N 3.32Å; Q274-K276 PolarHBondContact O-N 2.92Å; K276-N278 PolarHBondContact O-N 2.81Å
277S43.6Very low50.6Low103 Ų103139.5 Ų139.572%0.7270%0.695SS**  trans-6388.6169.8-170.80000108.3R275 H279R275-S277 PolarHBondContact O-N 2.75Å; S277-H279 PolarHBondContact O-N 2.8Å
278N42.3Very low52.8Low117 Ų117133.5 Ų133.563%0.62667%0.673SS**  trans-79.8103.7176.8-82.6-33.5000107.7K276 K280K276-N278 PolarHBondContact O-N 2.81Å; N278-K280 PolarHBondContact O-N 3.32Å
279H59Low54.9Low76 Ų76124.1 Ų124.135%0.35264%0.642SS.*  trans-70.539175.3-156.2-60.3000112.7S277 E345S277-H279 PolarHBondContact O-N 2.8Å; H279-E345 WeakPolarHBondContact NE2-CB 3.36Å
280K61.6Low57.5Low174 Ų174118.9 Ų118.976%0.75762%0.62SS**  trans-97.5121.3-178.1-73.3-170.5176.7-1760110.1N278N278-K280 PolarHBondContact O-N 3.32Å
281P68.9Low59.8Low47 Ų47114.8 Ų114.831%0.30560%0.6SS.*  trans-63.2135.9176.522.6-30.4000110.8K283 V289 D316P281-K283 HydrophobicContact CB-CG 4.44Å; P281-K283 PolarHBondContact O-N 2.78Å; P281-V289 HydrophobicContact CB-CG1 4.35Å; P281-D316 WeakPolarHBondContact CB-O 3.28Å
282K72.7Confident62.6Low144 Ų144108.3 Ų108.363%0.62657%0.566SS**  trans-77111.8164.4-68.2-178-179175.20107.4I290K282-I290 HydrophobicContact CB-CB 4.48Å; K282-I290 PolarHBondContact O-N 3.43Å
283K77.9Confident64.5Low139 Ų139106.6 Ų106.660%0.60457%0.569SS**BIsolated β-bridgetrans-98.9135.4178.1-62.6-174.9-179.4-1740109.7P281 S288P281-K283 HydrophobicContact CB-CG 4.44Å; P281-K283 PolarHBondContact O-N 2.78Å; K283-S288 CarbonylContact C-O 3.55Å; K283-S288 WeakPolarHBondContact CA-O 3.45Å
284A76.4Confident67.2Low21 Ų21102.6 Ų102.617%0.17455%0.55CS..  trans-70.4166.116900000110.4D286 G287 S288 I290A284-D286 WeakPolarHBondContact CB-OD1 3.22Å; A284-D286 PolarHBondContact O-N 3.41Å; A284-D286 VanDerWaalsContact O-N 3.07Å; A284-G287 PolarHBondContact O-N 3.24Å; A284-S288 PolarHBondContact N-O 3Å; A284-I290 HydrophobicContact CB-CD1 3.93Å; A284-I290 HydrophobicContact CB-CG1 3.78Å
285P67.6Low69.6Low147 Ų14794.3 Ų94.396%0.95551%0.511SS*.THydrogen-bonded Turntrans-58.2-21179.4-23.433.6000114G287P285-G287 VanDerWaalsContact C-N 3.34Å
286D73.8Confident72.1Confident123 Ų12384.8 Ų84.866%0.65848%0.478SS*.THydrogen-bonded Turntrans-86.4-0.1176.167.5-4.4000113.7A284 S288A284-D286 WeakPolarHBondContact CB-OD1 3.22Å; A284-D286 PolarHBondContact O-N 3.41Å; A284-D286 VanDerWaalsContact O-N 3.07Å; D286-S288 VanDerWaalsContact C-N 3.29Å; D286-S288 VanDerWaalsContact CG-OG 3.27Å; D286-S288 PolarHBondContact O-N 2.83Å; D286-S288 VanDerWaalsContact OD1-CB 3.24Å; D286-S288 WeakPolarHBondContact OD1-CB 3.48Å; D286-S288 PolarHBondContact OD1-N 3.39Å; D286-S288 PolarHBondContact OD1-OG 2.86Å; D286-S288 PolarHBondContact OD2-OG 2.8Å
287G70.9Confident74.6Confident48 Ų4880.4 Ų80.450%0.49546%0.459SS..SBendtrans82.1-1.3-177.100000114.9A284 P285A284-G287 PolarHBondContact O-N 3.24Å; P285-G287 VanDerWaalsContact C-N 3.34Å
288S77.1Confident76.5Confident56 Ų5677.1 Ų77.139%0.39244%0.436SS..PPolyproline II helixtrans-72.3146.7174.870.90000111.3K283 A284 D286K283-S288 CarbonylContact C-O 3.55Å; K283-S288 WeakPolarHBondContact CA-O 3.45Å; A284-S288 PolarHBondContact N-O 3Å; D286-S288 VanDerWaalsContact C-N 3.29Å; D286-S288 VanDerWaalsContact CG-OG 3.27Å; D286-S288 PolarHBondContact O-N 2.83Å; D286-S288 VanDerWaalsContact OD1-CB 3.24Å; D286-S288 WeakPolarHBondContact OD1-CB 3.48Å; D286-S288 PolarHBondContact OD1-N 3.39Å; D286-S288 PolarHBondContact OD1-OG 2.86Å; D286-S288 PolarHBondContact OD2-OG 2.8Å
289V83.8Confident78.4Confident43 Ų4377.5 Ų77.526%0.26144%0.437SS..BIsolated β-bridgetrans-80.3124178.5179.60000108.6P281 A291 A315 D316 G318P281-V289 HydrophobicContact CB-CG1 4.35Å; V289-A291 PolarHBondContact O-N 3.25Å; V289-A315 WeakPolarHBondContact CB-O 3.5Å; V289-A315 WeakPolarHBondContact CG2-O 3.36Å; V289-D316 WeakPolarHBondContact CG2-O 3.43Å; V289-G318 VanDerWaalsContact CG1-N 3.26Å
290I83.9Confident78.9Confident83 Ų8376.4 Ų76.443%0.42645%0.446SS..PPolyproline II helixtrans-80.5120.3179.7-56.6173000108.4K282 A284K282-I290 HydrophobicContact CB-CB 4.48Å; K282-I290 PolarHBondContact O-N 3.43Å; A284-I290 HydrophobicContact CB-CD1 3.93Å; A284-I290 HydrophobicContact CB-CG1 3.78Å
291A85.6Confident78.6Confident51 Ų5169.6 Ų69.642%0.42143%0.425SS..PPolyproline II helixtrans-66.1139.6173.900000111.6V289 G318V289-A291 PolarHBondContact O-N 3.25Å; A291-G318 CarbonylContact C-O 3.53Å
292N85.8Confident77.9Confident27 Ų2771 Ų7114%0.14444%0.436CS..PPolyproline II helixtrans-70.6129.6173-74.7-7.3000108.8Y294 G318 S320N292-Y294 HydrophobicContact CB-CD1 4.3Å; N292-Y294 HydrophobicContact CB-CE1 4.14Å; N292-Y294 PolarHBondContact O-N 3.42Å; N292-G318 WeakPolarHBondContact CB-O 3.21Å; N292-G318 PolarHBondContact N-O 3.18Å; N292-S320 PolarHBondContact N-OG 3.36Å; N292-S320 WeakPolarHBondContact O-CB 3.43Å; N292-S320 PolarHBondContact O-OG 3.06Å
293G85.9Confident77Confident78 Ų7872.8 Ų72.880%0.80444%0.444SS*.SBendtrans-779.5176.300000114.4
294Y86.5Confident75.9Confident103 Ų10374.3 Ų74.340%0.40445%0.451SS..SBendtrans-137.1152.9-178.967.6-90.3000110.2N292 D296 L299 S320N292-Y294 HydrophobicContact CB-CD1 4.3Å; N292-Y294 HydrophobicContact CB-CE1 4.14Å; N292-Y294 PolarHBondContact O-N 3.42Å; Y294-D296 VanDerWaalsContact CE2-OD1 3.28Å; Y294-D296 WeakPolarHBondContact CE2-OD1 3.31Å; Y294-L299 HydrophobicContact CD2-CD2 3.96Å; Y294-L299 HydrophobicContact CE2-CD2 3.88Å; Y294-S320 WeakPolarHBondContact O-CB 2.91Å
295C88.8Confident74.8Confident0 Ų076.8 Ų76.80%046%0.463CS..BIsolated β-bridgetrans-76.1125.5174.9177.80000110.3F297 C298 L299 L311 S320 H322C295-F297 PolarHBondContact O-N 3.3Å; C295-F297 VanDerWaalsContact O-N 3.13Å; C295-F297 PolarHBondContact SG-N 2.91Å; C295-C298 VanDerWaalsContact CB-SG 3.52Å; C295-C298 PolarHBondContact O-N 3.43Å; C295-L299 WeakPolarHBondContact O-CA 3.42Å; C295-L299 PolarHBondContact O-N 2.94Å; C295-L311 HydrophobicContact CB-CD2 3.66Å; C295-S320 CarbonylContact C-O 3.48Å; C295-S320 WeakPolarHBondContact CA-O 3.49Å; C295-H322 WeakPolarHBondContact CB-ND1 3.24Å; C295-H322 PolarHBondContact SG-N 3.49Å; C295-H322 VanDerWaalsContact SG-N 3.43Å
296D87.8Confident74.2Confident41 Ų4172.7 Ų72.722%0.21945%0.448CS..THydrogen-bonded Turntrans-64.5-17.1178.3-81.5-2.3000113.4Y294 R319 S320Y294-D296 VanDerWaalsContact CE2-OD1 3.28Å; Y294-D296 WeakPolarHBondContact CE2-OD1 3.31Å; D296-R319 VanDerWaalsContact OD2-CB 3.22Å; D296-R319 WeakPolarHBondContact OD2-CB 3.13Å; D296-R319 VanDerWaalsContact OD2-CD 3.22Å; D296-R319 WeakPolarHBondContact OD2-CD 3.13Å; D296-R319 WeakPolarHBondContact OD2-CG 3.39Å; D296-R319 IonicContact OD2-NE 3.31Å; D296-S320 PolarHBondContact N-O 3.33Å
297F85.9Confident73.5Confident68 Ų6870.6 Ų70.630%0.29844%0.442SS..THydrogen-bonded Turntrans-92-34.7-178.9-60.8-96.8000113.8H254 C295 C325 L326H254-F297 AromaticContact CD2-CE1 3.96Å; H254-F297 AromaticContact CE1-CD1 3.59Å; H254-F297 AromaticContact CE1-CE1 3.24Å; H254-F297 WeakPolarHBondContact CE1-CE1 3.34Å; H254-F297 AromaticContact CE1-CZ 3.48Å; H254-F297 VanDerWaalsContact CE1-CZ 3.48Å; H254-F297 WeakPolarHBondContact CE1-CZ 3.34Å; H254-F297 AromaticContact NE2-CD1 3.68Å; H254-F297 AromaticContact NE2-CE1 2.91Å; H254-F297 WeakPolarHBondContact NE2-CE1 3.37Å; H254-F297 AromaticContact NE2-CZ 3.22Å; H254-F297 WeakPolarHBondContact NE2-CZ 3.46Å; C295-F297 PolarHBondContact O-N 3.3Å; C295-F297 VanDerWaalsContact O-N 3.13Å; C295-F297 PolarHBondContact SG-N 2.91Å; F297-C325 HydrophobicContact CB-CB 3.77Å; F297-C325 HydrophobicContact CD2-CB 3.99Å; F297-C325 HydrophobicContact CG-CB 3.91Å; F297-L326 HydrophobicContact CE2-CD2 3.43Å; F297-L326 VanDerWaalsContact CE2-CD2 3.43Å; F297-L326 HydrophobicContact CE2-CG 3.97Å; F297-L326 HydrophobicContact CZ-CD2 3.56Å; F297-L326 HydrophobicContact CZ-CG 4.4Å
298C84.6Confident73.3Confident34 Ų3474.7 Ų74.723%0.2346%0.46CS..THydrogen-bonded Turntrans-121.6-0.9-176.575.60000113.7C295 G300 G301 H322C295-C298 VanDerWaalsContact CB-SG 3.52Å; C295-C298 PolarHBondContact O-N 3.43Å; C298-G300 PolarHBondContact O-N 2.62Å; C298-G301 PolarHBondContact O-N 2.91Å; C298-G301 PolarHBondContact SG-O 2.91Å; C298-G301 VanDerWaalsContact SG-O 3.39Å; C298-H322 PolarHBondContact SG-CE1 3.2Å; C298-H322 PolarHBondContact SG-ND1 2.86Å
299L81Confident73.5Confident125 Ų12574.5 Ų74.565%0.65445%0.453SS*.THydrogen-bonded Turntrans53.726.1179.1-54.6178.3000114.4Y294 C295Y294-L299 HydrophobicContact CD2-CD2 3.96Å; Y294-L299 HydrophobicContact CE2-CD2 3.88Å; C295-L299 WeakPolarHBondContact O-CA 3.42Å; C295-L299 PolarHBondContact O-N 2.94Å
300G69.6Low73.6Confident52 Ų5277.3 Ų77.354%0.53647%0.467SS..THydrogen-bonded Turntrans88.80.7-176.500000114.5C298 S302C298-G300 PolarHBondContact O-N 2.62Å; G300-S302 PolarHBondContact O-N 2.87Å
301G55.8Low73.9Confident31 Ų3175.9 Ų75.932%0.3246%0.46SS..  trans-69.1108.4168.700000110.8C298 K303C298-G301 PolarHBondContact O-N 2.91Å; C298-G301 PolarHBondContact SG-O 2.91Å; C298-G301 VanDerWaalsContact SG-O 3.39Å; G301-K303 PolarHBondContact O-N 3.43Å
302S54.5Low74.3Confident77 Ų7774 Ų7454%0.53844%0.442SS..  trans-7174.1170.7-169.30000110G300G300-S302 PolarHBondContact O-N 2.87Å
303K54.2Low74.6Confident181 Ų18174.7 Ų74.779%0.78745%0.45SS*.  trans-125.93.7-173.8-66.3-166.4-178.4-179.10115.7G301G301-K303 PolarHBondContact O-N 3.43Å
304K53.7Low75Confident172 Ų17271.2 Ų71.275%0.74841%0.413SS*.SBendtrans-109-27.4174-71.9-170178.41790115.1
305T53.5Low75.3Confident72 Ų7267.2 Ų67.244%0.44240%0.401SS..SBendtrans-133.8-11.2-178.645.30000114.7C307 E309T305-C307 PolarHBondContact O-N 3.42Å; T305-E309 WeakPolarHBondContact CB-OE1 3.45Å; T305-E309 WeakPolarHBondContact CG2-OE1 3.46Å; T305-E309 PolarHBondContact OG1-OE1 3.46Å
306G56.5Low75.4Confident62 Ų6270.4 Ų70.464%0.63942%0.418SS*.SBendtrans64.20.2-179.300000114.6
307C57.6Low75.5Confident78 Ų7869.1 Ų69.153%0.52741%0.412SS..SBendtrans-107.5140.2-179.8-65.60000109.5T305 E309T305-C307 PolarHBondContact O-N 3.42Å; C307-E309 PolarHBondContact O-N 3.12Å; C307-E309 VanDerWaalsContact O-N 3.14Å
308P68.3Low75.7Confident135 Ų13565.9 Ų65.988%0.87740%0.398SS*.  trans-65.5112.9169.727.6-31.8000109.1
309E80.5Confident76Confident52 Ų5266.4 Ų66.424%0.24340%0.395CS..  trans-105.9134.9173.2-71177-157.300109.5T305 C307 H322 S324T305-E309 WeakPolarHBondContact CB-OE1 3.45Å; T305-E309 WeakPolarHBondContact CG2-OE1 3.46Å; T305-E309 PolarHBondContact OG1-OE1 3.46Å; C307-E309 PolarHBondContact O-N 3.12Å; C307-E309 VanDerWaalsContact O-N 3.14Å; E309-H322 PolarHBondContact O-CD2 3.42Å; E309-S324 VanDerWaalsContact CD-OG 3.3Å; E309-S324 PolarHBondContact OE1-OG 3.25Å; E309-S324 WeakPolarHBondContact OE2-CB 3.37Å; E309-S324 PolarHBondContact OE2-N 2.92Å; E309-S324 PolarHBondContact OE2-OG 3.47Å
310D85.9Confident76.5Confident101 Ų10160.6 Ų60.654%0.5437%0.365SS..PPolyproline II helixtrans-70.8138.3175.9-36.9-58.8000110.9P323 R337D310-P323 VanDerWaalsContact O-CD 3.3Å; D310-P323 WeakPolarHBondContact O-CD 3.42Å; D310-R337 VanDerWaalsContact CB-NH2 3.35Å; D310-R337 IonicContact OD2-CZ 2.66Å; D310-R337 VanDerWaalsContact OD2-CZ 3.3Å; D310-R337 IonicContact OD2-NH1 2.87Å; D310-R337 PolarHBondContact OD2-NH1 3.13Å; D310-R337 IonicContact OD2-NH2 3.82Å; D310-R337 PolarHBondContact OD2-NH2 3.43Å
311L91Very high77.6Confident54 Ų5458.2 Ų58.228%0.28334%0.34SS..PPolyproline II helixtrans-71.4137.2177.7-67171000112.1C295 H322C295-L311 HydrophobicContact CB-CD2 3.66Å; L311-H322 WeakPolarHBondContact CD2-CD2 3.39Å
312I92.3Very high79.2Confident10 Ų1058.3 Ų58.35%0.05133%0.332CS..EExtended strand (participates in β ladder)trans-95.4126.3166-62.2159.8000107.5S320 G321 P323 L326 F328 T333 V336 W341I312-S320 CarbonylContact O-C 3.54Å; I312-S320 VanDerWaalsContact O-CA 3.25Å; I312-S320 WeakPolarHBondContact O-CA 3.48Å; I312-G321 PolarHBondContact N-O 3.5Å; I312-G321 PolarHBondContact O-N 2.92Å; I312-P323 HydrophobicContact CD1-CB 4.06Å; I312-P323 HydrophobicContact CD1-CG 3.73Å; I312-P323 HydrophobicContact CG1-CG 4.31Å; I312-L326 HydrophobicContact CB-CD1 4.42Å; I312-F328 HydrophobicContact CD1-CD2 3.71Å; I312-F328 HydrophobicContact CD1-CE2 3.95Å; I312-T333 HydrophobicContact CD1-CG2 4.29Å; I312-V336 HydrophobicContact CD1-CG2 3.52Å; I312-V336 HydrophobicContact CG1-CG2 4.15Å; I312-V336 HydrophobicContact CG2-CG2 4.15Å; I312-W341 HydrophobicContact CG2-CB 4.49Å; I312-W341 HydrophobicContact CG2-CD2 3.75Å; I312-W341 HydrophobicContact CG2-CE3 3.54Å; I312-W341 HydrophobicContact CG2-CG 4.18Å; I312-W341 HydrophobicContact CG2-CZ3 3.99Å
313S93.4Very high80.9Confident43 Ų4355.2 Ų55.230%0.30131%0.31SS..EExtended strand (participates in β ladder)trans-115.3136.4-173.6-48.80000111.1R319 S320S313-R319 CarbonylContact C-O 3.53Å; S313-R319 WeakPolarHBondContact CA-O 3.02Å; S313-S320 WeakPolarHBondContact CB-OG 3.49Å; S313-S320 PolarHBondContact OG-OG 3.2Å
314C94.3Very high82.5Confident4 Ų448.6 Ų48.63%0.02729%0.287CS..  trans-70.1130.2177.5173.20000110.8D316 C317 G318 R319 W341 C343C314-D316 PolarHBondContact O-N 3.16Å; C314-D316 PolarHBondContact SG-N 3.2Å; C314-D316 VanDerWaalsContact SG-N 3.39Å; C314-C317 VanDerWaalsContact CB-SG 3.58Å; C314-C317 PolarHBondContact SG-N 3.39Å; C314-C317 PolarHBondContact SG-SG 2.95Å; C314-G318 VanDerWaalsContact O-CA 3.29Å; C314-G318 WeakPolarHBondContact O-CA 3.37Å; C314-G318 PolarHBondContact O-N 2.87Å; C314-R319 PolarHBondContact N-O 3.26Å; C314-W341 HydrophobicContact CB-CE3 4.21Å; C314-W341 HydrophobicContact CB-CZ3 3.87Å; C314-C343 HydrophobicContact CB-CB 3.91Å; C314-C343 PolarHBondContact SG-N 3.41Å
315A92.8Very high84.2Confident20 Ų2041.2 Ų41.217%0.16526%0.256CS..THydrogen-bonded Turntrans-64.7-21.9-179.700000114.6V289 R340 W341V289-A315 WeakPolarHBondContact CB-O 3.5Å; V289-A315 WeakPolarHBondContact CG2-O 3.36Å; A315-R340 HydrophobicContact CB-CB 4.07Å; A315-W341 PolarHBondContact N-O 3.03Å
316D89.4Confident85.9Confident67 Ų6739.5 Ų39.536%0.35825%0.245SC..THydrogen-bonded Turntrans-106.4-37-171.8-61.4-26.9000113.6P281 V289 C314 Q342 C346P281-D316 WeakPolarHBondContact CB-O 3.28Å; V289-D316 WeakPolarHBondContact CG2-O 3.43Å; C314-D316 PolarHBondContact O-N 3.16Å; C314-D316 PolarHBondContact SG-N 3.2Å; C314-D316 VanDerWaalsContact SG-N 3.39Å; D316-Q342 WeakPolarHBondContact OD2-CG 3.16Å; D316-Q342 PolarHBondContact OD2-NE2 3.01Å; D316-C346 HydrophobicContact CB-CB 4.05Å
317C90.1Very high87.4Confident13 Ų1343.5 Ų43.59%0.08825%0.246CC..THydrogen-bonded Turntrans-110.9-13.4-179.769.90000114.5C314 R319 C343C314-C317 VanDerWaalsContact CB-SG 3.58Å; C314-C317 PolarHBondContact SG-N 3.39Å; C314-C317 PolarHBondContact SG-SG 2.95Å; C317-R319 PolarHBondContact O-N 2.8Å; C317-C343 PolarHBondContact SG-SG 3.37Å
318G90.6Very high88.9Confident0 Ų041.2 Ų41.20%023%0.228CC..  trans76.6-0.4179.800000114.3V289 A291 N292 C314 S320V289-G318 VanDerWaalsContact CG1-N 3.26Å; A291-G318 CarbonylContact C-O 3.53Å; N292-G318 WeakPolarHBondContact CB-O 3.21Å; N292-G318 PolarHBondContact N-O 3.18Å; C314-G318 VanDerWaalsContact O-CA 3.29Å; C314-G318 WeakPolarHBondContact O-CA 3.37Å; C314-G318 PolarHBondContact O-N 2.87Å; G318-S320 PolarHBondContact O-OG 3.25Å
319R91.3Very high89.9Confident45 Ų4538.3 Ų38.317%0.1721%0.208CC..  trans-61.8137.1174.3-71.1-175177.6167.50.4110.8D296 S313 C314 C317D296-R319 VanDerWaalsContact OD2-CB 3.22Å; D296-R319 WeakPolarHBondContact OD2-CB 3.13Å; D296-R319 VanDerWaalsContact OD2-CD 3.22Å; D296-R319 WeakPolarHBondContact OD2-CD 3.13Å; D296-R319 WeakPolarHBondContact OD2-CG 3.39Å; D296-R319 IonicContact OD2-NE 3.31Å; S313-R319 CarbonylContact C-O 3.53Å; S313-R319 WeakPolarHBondContact CA-O 3.02Å; C314-R319 PolarHBondContact N-O 3.26Å; C317-R319 PolarHBondContact O-N 2.8Å
320S92.1Very high90.1Very high4 Ų441.8 Ų41.83%0.02823%0.232CC..EExtended strand (participates in β ladder)trans-123.6146.6-173.4-54.80000111.2N292 Y294 C295 D296 I312 S313 G318N292-S320 PolarHBondContact N-OG 3.36Å; N292-S320 WeakPolarHBondContact O-CB 3.43Å; N292-S320 PolarHBondContact O-OG 3.06Å; Y294-S320 WeakPolarHBondContact O-CB 2.91Å; C295-S320 CarbonylContact C-O 3.48Å; C295-S320 WeakPolarHBondContact CA-O 3.49Å; D296-S320 PolarHBondContact N-O 3.33Å; I312-S320 CarbonylContact O-C 3.54Å; I312-S320 VanDerWaalsContact O-CA 3.25Å; I312-S320 WeakPolarHBondContact O-CA 3.48Å; S313-S320 WeakPolarHBondContact CB-OG 3.49Å; S313-S320 PolarHBondContact OG-OG 3.2Å; G318-S320 PolarHBondContact O-OG 3.25Å
321G91.4Very high90.1Very high1 Ų141.3 Ų41.31%0.0123%0.229CC..EExtended strand (participates in β ladder)trans-147.1147.6177.900000111.7I312I312-G321 PolarHBondContact N-O 3.5Å; I312-G321 PolarHBondContact O-N 2.92Å
322H89.9Confident90Very high34 Ų3439.5 Ų39.516%0.15722%0.22CC..  trans-67.6144.8168.7-60.8122.3000109.6C295 C298 E309 L311 S324 C325 L326C295-H322 WeakPolarHBondContact CB-ND1 3.24Å; C295-H322 PolarHBondContact SG-N 3.49Å; C295-H322 VanDerWaalsContact SG-N 3.43Å; C298-H322 PolarHBondContact SG-CE1 3.2Å; C298-H322 PolarHBondContact SG-ND1 2.86Å; E309-H322 PolarHBondContact O-CD2 3.42Å; L311-H322 WeakPolarHBondContact CD2-CD2 3.39Å; H322-S324 PolarHBondContact O-N 2.88Å; H322-C325 HydrophobicContact CB-CB 4.06Å; H322-C325 WeakPolarHBondContact O-CB 3.1Å; H322-C325 PolarHBondContact O-N 3.47Å; H322-L326 PolarHBondContact O-N 2.93Å
323P90.5Very high89.9Confident12 Ų1240 Ų408%0.07822%0.224CC..THydrogen-bonded Turntrans-54.2-41.1175.5-20.327.6000112.6D310 I312 C325 L326 Q327 F328 T333D310-P323 VanDerWaalsContact O-CD 3.3Å; D310-P323 WeakPolarHBondContact O-CD 3.42Å; I312-P323 HydrophobicContact CD1-CB 4.06Å; I312-P323 HydrophobicContact CD1-CG 3.73Å; I312-P323 HydrophobicContact CG1-CG 4.31Å; P323-C325 PolarHBondContact O-N 3.32Å; P323-L326 PolarHBondContact O-N 2.96Å; P323-Q327 PolarHBondContact O-N 3.32Å; P323-F328 HydrophobicContact CB-CB 4.38Å; P323-F328 PolarHBondContact O-N 3.36Å; P323-T333 HydrophobicContact CB-CG2 3.68Å; P323-T333 WeakPolarHBondContact CB-OG1 3.29Å; P323-T333 HydrophobicContact CG-CG2 3.61Å
324S88.7Confident89.6Confident42 Ų4240.9 Ų40.929%0.29423%0.233SC..THydrogen-bonded Turntrans-63.2-39.5174.856.70000113.4E309 H322 L326 Q327E309-S324 VanDerWaalsContact CD-OG 3.3Å; E309-S324 PolarHBondContact OE1-OG 3.25Å; E309-S324 WeakPolarHBondContact OE2-CB 3.37Å; E309-S324 PolarHBondContact OE2-N 2.92Å; E309-S324 PolarHBondContact OE2-OG 3.47Å; H322-S324 PolarHBondContact O-N 2.88Å; S324-L326 VanDerWaalsContact C-N 3.35Å; S324-Q327 PolarHBondContact O-N 2.82Å; S324-Q327 VanDerWaalsContact O-N 3.16Å
325C88.6Confident89.4Confident16 Ų1641.7 Ų41.711%0.10824%0.24CC..THydrogen-bonded Turntrans-70.4-33.4178.9-68.30000112.1F297 H322 P323 Q327F297-C325 HydrophobicContact CB-CB 3.77Å; F297-C325 HydrophobicContact CD2-CB 3.99Å; F297-C325 HydrophobicContact CG-CB 3.91Å; H322-C325 HydrophobicContact CB-CB 4.06Å; H322-C325 WeakPolarHBondContact O-CB 3.1Å; H322-C325 PolarHBondContact O-N 3.47Å; P323-C325 PolarHBondContact O-N 3.32Å; C325-Q327 PolarHBondContact O-N 3.27Å
326L89.2Confident89.3Confident37 Ų3740.9 Ų40.919%0.19423%0.233CC..THydrogen-bonded Turntrans-78-1.3172.9-70.6166000113.1F297 I312 H322 P323 S324 F328 W341F297-L326 HydrophobicContact CE2-CD2 3.43Å; F297-L326 VanDerWaalsContact CE2-CD2 3.43Å; F297-L326 HydrophobicContact CE2-CG 3.97Å; F297-L326 HydrophobicContact CZ-CD2 3.56Å; F297-L326 HydrophobicContact CZ-CG 4.4Å; I312-L326 HydrophobicContact CB-CD1 4.42Å; H322-L326 PolarHBondContact O-N 2.93Å; P323-L326 PolarHBondContact O-N 2.96Å; S324-L326 VanDerWaalsContact C-N 3.35Å; L326-F328 HydrophobicContact CB-CD1 3.77Å; L326-F328 HydrophobicContact CB-CD2 4.11Å; L326-F328 HydrophobicContact CB-CE1 3.84Å; L326-F328 HydrophobicContact CB-CE2 4.13Å; L326-F328 HydrophobicContact CB-CG 3.94Å; L326-F328 HydrophobicContact CB-CZ 4.02Å; L326-F328 HydrophobicContact CD1-CD2 4.25Å; L326-F328 HydrophobicContact CD1-CE2 3.79Å; L326-F328 HydrophobicContact CD1-CZ 4.08Å; L326-F328 HydrophobicContact CG-CZ 4.5Å; L326-F328 VanDerWaalsContact O-CD1 3.31Å; L326-F328 WeakPolarHBondContact O-CD1 3.22Å; L326-F328 PolarHBondContact O-N 3.47Å; L326-W341 HydrophobicContact CD1-CH2 4.11Å; L326-W341 HydrophobicContact CD1-CZ2 4.25Å; L326-W341 HydrophobicContact CD2-CH2 4.41Å; L326-W341 HydrophobicContact CD2-CZ2 4.49Å
327Q87.7Confident89.3Confident145 Ų14544.2 Ų44.268%0.67824%0.241SC*.THydrogen-bonded Turntrans58.534.8-175.2-56.1-179.1-5.900113.1P323 S324 C325P323-Q327 PolarHBondContact O-N 3.32Å; S324-Q327 PolarHBondContact O-N 2.82Å; S324-Q327 VanDerWaalsContact O-N 3.16Å; C325-Q327 PolarHBondContact O-N 3.27Å
328F90.1Very high89.2Confident31 Ų3148.9 Ų48.914%0.13627%0.269CS..  trans-79.9139-179.7-70.9-5.6000112.6I312 P323 L326 M332 V336 W341 D368I312-F328 HydrophobicContact CD1-CD2 3.71Å; I312-F328 HydrophobicContact CD1-CE2 3.95Å; P323-F328 HydrophobicContact CB-CB 4.38Å; P323-F328 PolarHBondContact O-N 3.36Å; L326-F328 HydrophobicContact CB-CD1 3.77Å; L326-F328 HydrophobicContact CB-CD2 4.11Å; L326-F328 HydrophobicContact CB-CE1 3.84Å; L326-F328 HydrophobicContact CB-CE2 4.13Å; L326-F328 HydrophobicContact CB-CG 3.94Å; L326-F328 HydrophobicContact CB-CZ 4.02Å; L326-F328 HydrophobicContact CD1-CD2 4.25Å; L326-F328 HydrophobicContact CD1-CE2 3.79Å; L326-F328 HydrophobicContact CD1-CZ 4.08Å; L326-F328 HydrophobicContact CG-CZ 4.5Å; L326-F328 VanDerWaalsContact O-CD1 3.31Å; L326-F328 WeakPolarHBondContact O-CD1 3.22Å; L326-F328 PolarHBondContact O-N 3.47Å; F328-M332 HydrophobicContact CB-CE 3.82Å; F328-M332 HydrophobicContact CD1-CE 3.19Å; F328-M332 HydrophobicContact CD1-CG 4.42Å; F328-M332 HydrophobicContact CD1-SD 4.05Å; F328-M332 HydrophobicContact CD2-CG 4.47Å; F328-M332 HydrophobicContact CE1-CE 3.84Å; F328-M332 HydrophobicContact CE1-SD 4.18Å; F328-M332 HydrophobicContact CG-CE 3.67Å; F328-M332 HydrophobicContact CG-CG 4.26Å; F328-M332 HydrophobicContact CG-SD 4.47Å; F328-V336 HydrophobicContact CD2-CG2 4.25Å; F328-V336 HydrophobicContact CE2-CG1 4.14Å; F328-V336 HydrophobicContact CE2-CG2 4.12Å; F328-W341 HydrophobicContact CE2-CZ2 4.34Å; F328-W341 AromaticContact CZ-CZ2 3.94Å; F328-W341 HydrophobicContact CZ-CZ2 3.94Å; F328-W341 AromaticContact CZ-NE1 3.74Å; F328-D368 HydrophobicContact CZ-CB 4.31Å
329T87.9Confident89.2Confident74 Ų7451.4 Ų51.445%0.45428%0.279SS..  trans-69.6160.9167.367.10000110N331 M332 T333T329-N331 PolarHBondContact O-N 2.84Å; T329-M332 PolarHBondContact O-N 2.67Å; T329-M332 WeakPolarHBondContact OG1-CB 3.25Å; T329-M332 PolarHBondContact OG1-N 3.19Å; T329-T333 WeakPolarHBondContact O-CB 3.28Å; T329-T333 PolarHBondContact O-N 3.3Å; T329-T333 PolarHBondContact O-OG1 2.72Å
330V86.1Confident89.2Confident124 Ų12458.6 Ų58.675%0.75231%0.306SS*.Hα-helixtrans-58.9-39.9177.9-178.70000111.1T333 A334V330-T333 WeakPolarHBondContact O-CB 3.46Å; V330-T333 PolarHBondContact O-N 2.74Å; V330-A334 PolarHBondContact O-N 2.99Å
331N84.3Confident89.3Confident91 Ų9159 Ų5949%0.48731%0.307SS..Hα-helixtrans-66-45.7177.8-69.7-8.8000111.7T329 T333 A334 A335T329-N331 PolarHBondContact O-N 2.84Å; N331-T333 VanDerWaalsContact C-N 3.32Å; N331-T333 PolarHBondContact O-N 3.29Å; N331-A334 PolarHBondContact O-N 3.5Å; N331-A335 WeakPolarHBondContact O-CB 3.37Å; N331-A335 PolarHBondContact O-N 2.8Å
332M89.4Confident89.4Confident16 Ų1660.6 Ų60.68%0.07931%0.314CS..Hα-helixtrans-63.5-40.6177.3-175.9160.853.700111.3F328 T329 A334 A335 V336 D366 D368F328-M332 HydrophobicContact CB-CE 3.82Å; F328-M332 HydrophobicContact CD1-CE 3.19Å; F328-M332 HydrophobicContact CD1-CG 4.42Å; F328-M332 HydrophobicContact CD1-SD 4.05Å; F328-M332 HydrophobicContact CD2-CG 4.47Å; F328-M332 HydrophobicContact CE1-CE 3.84Å; F328-M332 HydrophobicContact CE1-SD 4.18Å; F328-M332 HydrophobicContact CG-CE 3.67Å; F328-M332 HydrophobicContact CG-CG 4.26Å; F328-M332 HydrophobicContact CG-SD 4.47Å; T329-M332 PolarHBondContact O-N 2.67Å; T329-M332 WeakPolarHBondContact OG1-CB 3.25Å; T329-M332 PolarHBondContact OG1-N 3.19Å; M332-A334 VanDerWaalsContact C-N 3.34Å; M332-A334 PolarHBondContact O-N 2.88Å; M332-A335 PolarHBondContact O-N 3.08Å; M332-A335 VanDerWaalsContact O-N 3.12Å; M332-V336 HydrophobicContact CG-CG1 4.16Å; M332-V336 WeakPolarHBondContact O-CG1 3.3Å; M332-V336 WeakPolarHBondContact O-CG2 3.48Å; M332-V336 PolarHBondContact O-N 3.49Å; M332-D366 WeakPolarHBondContact CA-O 3.28Å; M332-D368 HydrophobicContact CG-CB 4.2Å; M332-D368 HydrophobicContact SD-CB 3.7Å
333T89.8Confident89.6Confident22 Ų2259.5 Ų59.514%0.13531%0.311CS..Hα-helixtrans-58.7-43.8174.9-56.90000112.1I312 P323 T329 V330 N331 V336 R337I312-T333 HydrophobicContact CD1-CG2 4.29Å; P323-T333 HydrophobicContact CB-CG2 3.68Å; P323-T333 WeakPolarHBondContact CB-OG1 3.29Å; P323-T333 HydrophobicContact CG-CG2 3.61Å; T329-T333 WeakPolarHBondContact O-CB 3.28Å; T329-T333 PolarHBondContact O-N 3.3Å; T329-T333 PolarHBondContact O-OG1 2.72Å; V330-T333 WeakPolarHBondContact O-CB 3.46Å; V330-T333 PolarHBondContact O-N 2.74Å; N331-T333 VanDerWaalsContact C-N 3.32Å; N331-T333 PolarHBondContact O-N 3.29Å; T333-V336 WeakPolarHBondContact O-CG2 3.19Å; T333-R337 WeakPolarHBondContact O-CG 3.42Å
334A87.8Confident89.7Confident60 Ų6061.5 Ų61.550%0.49632%0.32SS..Hα-helixtrans-64.8-42.9174.700000111.1V330 N331 M332 R337 T338V330-A334 PolarHBondContact O-N 2.99Å; N331-A334 PolarHBondContact O-N 3.5Å; M332-A334 VanDerWaalsContact C-N 3.34Å; M332-A334 PolarHBondContact O-N 2.88Å; A334-R337 PolarHBondContact O-N 3.45Å; A334-T338 WeakPolarHBondContact O-CG2 3.5Å
335A89.4Confident89.8Confident22 Ų2264.5 Ų64.518%0.18233%0.329CS..Hα-helixtrans-64.9-48.3-178.900000112.7N331 M332 R337 T338 Y339 C367N331-A335 WeakPolarHBondContact O-CB 3.37Å; N331-A335 PolarHBondContact O-N 2.8Å; M332-A335 PolarHBondContact O-N 3.08Å; M332-A335 VanDerWaalsContact O-N 3.12Å; A335-R337 PolarHBondContact O-N 3.08Å; A335-T338 WeakPolarHBondContact O-CB 3.48Å; A335-T338 PolarHBondContact O-N 2.82Å; A335-T338 PolarHBondContact O-OG1 2.9Å; A335-Y339 WeakPolarHBondContact O-CD1 3.29Å; A335-Y339 WeakPolarHBondContact O-CE1 3.5Å; A335-C367 HydrophobicContact CB-CB 3.75Å
336V91.9Very high90Very high3 Ų364.8 Ų64.82%0.01833%0.331CS..Hα-helixtrans-64-23.2-177.9-620000113.4I312 F328 M332 T333 T338 Y339 W341 C367 D368I312-V336 HydrophobicContact CD1-CG2 3.52Å; I312-V336 HydrophobicContact CG1-CG2 4.15Å; I312-V336 HydrophobicContact CG2-CG2 4.15Å; F328-V336 HydrophobicContact CD2-CG2 4.25Å; F328-V336 HydrophobicContact CE2-CG1 4.14Å; F328-V336 HydrophobicContact CE2-CG2 4.12Å; M332-V336 HydrophobicContact CG-CG1 4.16Å; M332-V336 WeakPolarHBondContact O-CG1 3.3Å; M332-V336 WeakPolarHBondContact O-CG2 3.48Å; M332-V336 PolarHBondContact O-N 3.49Å; T333-V336 WeakPolarHBondContact O-CG2 3.19Å; V336-T338 VanDerWaalsContact C-N 3.3Å; V336-Y339 HydrophobicContact CB-CE1 4.42Å; V336-Y339 HydrophobicContact CG1-CE1 4.29Å; V336-Y339 VanDerWaalsContact O-O 3.07Å; V336-W341 HydrophobicContact CB-CB 4.11Å; V336-W341 HydrophobicContact CB-CG 4.04Å; V336-W341 VanDerWaalsContact CG1-CD1 3.47Å; V336-W341 HydrophobicContact CG1-CG 4.21Å; V336-C367 WeakPolarHBondContact CG1-O 3.38Å; V336-D368 HydrophobicContact CG1-CB 3.97Å
337R89.2Confident90.3Very high136 Ų13663.5 Ų63.551%0.51332%0.324SS..THydrogen-bonded Turntrans-73-20.2172.5-70.2177.1-179.8-151-0.7113.3D310 T333 A334 A335D310-R337 VanDerWaalsContact CB-NH2 3.35Å; D310-R337 IonicContact OD2-CZ 2.66Å; D310-R337 VanDerWaalsContact OD2-CZ 3.3Å; D310-R337 IonicContact OD2-NH1 2.87Å; D310-R337 PolarHBondContact OD2-NH1 3.13Å; D310-R337 IonicContact OD2-NH2 3.82Å; D310-R337 PolarHBondContact OD2-NH2 3.43Å; T333-R337 WeakPolarHBondContact O-CG 3.42Å; A334-R337 PolarHBondContact O-N 3.45Å; A335-R337 PolarHBondContact O-N 3.08Å
338T87.7Confident90.6Very high111 Ų11157.8 Ų57.868%0.68130%0.3SS*.THydrogen-bonded Turntrans-83.6-11.6-177.466.60000114.1A334 A335 V336A334-T338 WeakPolarHBondContact O-CG2 3.5Å; A335-T338 WeakPolarHBondContact O-CB 3.48Å; A335-T338 PolarHBondContact O-N 2.82Å; A335-T338 PolarHBondContact O-OG1 2.9Å; V336-T338 VanDerWaalsContact C-N 3.3Å
339Y89.5Confident90.8Very high53 Ų5356.3 Ų56.321%0.20829%0.294CS..THydrogen-bonded Turntrans-143.9174.6-175.775-89.3000111.7A335 V336 W341 C367 R369A335-Y339 WeakPolarHBondContact O-CD1 3.29Å; A335-Y339 WeakPolarHBondContact O-CE1 3.5Å; V336-Y339 HydrophobicContact CB-CE1 4.42Å; V336-Y339 HydrophobicContact CG1-CE1 4.29Å; V336-Y339 VanDerWaalsContact O-O 3.07Å; Y339-W341 VanDerWaalsContact C-N 3.32Å; Y339-W341 HydrophobicContact CE2-CB 4.32Å; Y339-W341 PolarHBondContact O-N 2.89Å; Y339-C367 HydrophobicContact CE1-CB 4.49Å; Y339-C367 WeakPolarHBondContact CE1-O 3.44Å; Y339-C367 PolarHBondContact OH-O 2.64Å; Y339-R369 HydrophobicContact CE1-CG 4.25Å; Y339-R369 HydrophobicContact CE2-CG 3.9Å
340R91.4Very high91.1Very high196 Ų19655.9 Ų55.974%0.7429%0.294SS*.THydrogen-bonded Turntrans-73.782.3179-58.4-175.273.284.71.4110.7A315A315-R340 HydrophobicContact CB-CB 4.07Å
341W94.8Very high91.4Very high12 Ų1254 Ų545%0.04528%0.279CS..  trans-65.2141.8178.8176.882.2000112.3I312 C314 A315 L326 F328 V336 Y339 C343 D368I312-W341 HydrophobicContact CG2-CB 4.49Å; I312-W341 HydrophobicContact CG2-CD2 3.75Å; I312-W341 HydrophobicContact CG2-CE3 3.54Å; I312-W341 HydrophobicContact CG2-CG 4.18Å; I312-W341 HydrophobicContact CG2-CZ3 3.99Å; C314-W341 HydrophobicContact CB-CE3 4.21Å; C314-W341 HydrophobicContact CB-CZ3 3.87Å; A315-W341 PolarHBondContact N-O 3.03Å; L326-W341 HydrophobicContact CD1-CH2 4.11Å; L326-W341 HydrophobicContact CD1-CZ2 4.25Å; L326-W341 HydrophobicContact CD2-CH2 4.41Å; L326-W341 HydrophobicContact CD2-CZ2 4.49Å; F328-W341 HydrophobicContact CE2-CZ2 4.34Å; F328-W341 AromaticContact CZ-CZ2 3.94Å; F328-W341 HydrophobicContact CZ-CZ2 3.94Å; F328-W341 AromaticContact CZ-NE1 3.74Å; V336-W341 HydrophobicContact CB-CB 4.11Å; V336-W341 HydrophobicContact CB-CG 4.04Å; V336-W341 VanDerWaalsContact CG1-CD1 3.47Å; V336-W341 HydrophobicContact CG1-CG 4.21Å; Y339-W341 VanDerWaalsContact C-N 3.32Å; Y339-W341 HydrophobicContact CE2-CB 4.32Å; Y339-W341 PolarHBondContact O-N 2.89Å; W341-C343 HydrophobicContact CH2-CB 3.87Å; W341-C343 HydrophobicContact CZ2-CB 4.45Å; W341-C343 HydrophobicContact CZ3-CB 4.27Å; W341-D368 PolarHBondContact NE1-OD2 3.32Å
342Q94.5Very high91.8Very high35 Ų3552.4 Ų52.416%0.16427%0.274CS..  trans-116.4141177-65.9172.8-37.900109.2D316 C346 K347 S348D316-Q342 WeakPolarHBondContact OD2-CG 3.16Å; D316-Q342 PolarHBondContact OD2-NE2 3.01Å; Q342-C346 HydrophobicContact CB-CB 4.26Å; Q342-C346 VanDerWaalsContact CD-O 3.28Å; Q342-C346 PolarHBondContact OE1-O 3.3Å; Q342-K347 HydrophobicContact CB-CD 4.35Å; Q342-K347 VanDerWaalsContact O-CE 3.3Å; Q342-K347 WeakPolarHBondContact O-CE 3.33Å; Q342-K347 PolarHBondContact O-NZ 2.95Å; Q342-S348 PolarHBondContact NE2-OG 3.03Å; Q342-S348 VanDerWaalsContact NE2-OG 3.13Å; Q342-S348 PolarHBondContact OE1-OG 3.42Å
343C93.3Very high91.9Very high12 Ų1254.2 Ų54.28%0.08130%0.297CS..  trans-68.317017268.10000111C314 C317 W341 E345 C346 K347C314-C343 HydrophobicContact CB-CB 3.91Å; C314-C343 PolarHBondContact SG-N 3.41Å; C317-C343 PolarHBondContact SG-SG 3.37Å; W341-C343 HydrophobicContact CH2-CB 3.87Å; W341-C343 HydrophobicContact CZ2-CB 4.45Å; W341-C343 HydrophobicContact CZ3-CB 4.27Å; C343-E345 PolarHBondContact O-N 3.49Å; C343-C346 CarbonylContact O-C 3.59Å; C343-C346 PolarHBondContact O-N 2.61Å; C343-K347 PolarHBondContact O-N 3.27Å
344I91.8Very high92Very high54 Ų5455.7 Ų55.728%0.27731%0.306SS..G310 helixtrans-54-40.4-178.6-169.9162.3000113.1Y250 K347 F363Y250-I344 HydrophobicContact CD2-CG2 3.72Å; Y250-I344 HydrophobicContact CE1-CG2 4.39Å; Y250-I344 HydrophobicContact CE2-CG2 3.47Å; Y250-I344 VanDerWaalsContact CE2-CG2 3.47Å; Y250-I344 HydrophobicContact CG-CG2 4.28Å; I344-K347 PolarHBondContact O-N 3.29Å; I344-F363 HydrophobicContact CD1-CE2 3.84Å; I344-F363 HydrophobicContact CD1-CZ 4.43Å; I344-F363 HydrophobicContact CG1-CE2 3.73Å; I344-F363 HydrophobicContact CG1-CZ 3.9Å
345E90.9Very high92.1Very high104 Ų10456.3 Ų56.349%0.48631%0.307SS..G310 helixtrans-74.1-26.6-179.4-57.7-64.9135.900113.2H279 C343H279-E345 WeakPolarHBondContact NE2-CB 3.36Å; C343-E345 PolarHBondContact O-N 3.49Å
346C93.3Very high92Very high23 Ų2361.8 Ų61.816%0.15533%0.329CS..G310 helixtrans-99.25.1178.5-670000112.6D316 Q342 C343 S348D316-C346 HydrophobicContact CB-CB 4.05Å; Q342-C346 HydrophobicContact CB-CB 4.26Å; Q342-C346 VanDerWaalsContact CD-O 3.28Å; Q342-C346 PolarHBondContact OE1-O 3.3Å; C343-C346 CarbonylContact O-C 3.59Å; C343-C346 PolarHBondContact O-N 2.61Å; C346-S348 PolarHBondContact O-N 3.28Å
347K94.7Very high91.9Very high9 Ų965.4 Ų65.44%0.03935%0.348CS..  trans-66.4126.3-171.7-162.175.664.5174.40109.9Q342 C343 I344 S355 L361 F363 D368Q342-K347 HydrophobicContact CB-CD 4.35Å; Q342-K347 VanDerWaalsContact O-CE 3.3Å; Q342-K347 WeakPolarHBondContact O-CE 3.33Å; Q342-K347 PolarHBondContact O-NZ 2.95Å; C343-K347 PolarHBondContact O-N 3.27Å; I344-K347 PolarHBondContact O-N 3.29Å; K347-S355 VanDerWaalsContact O-CB 3.31Å; K347-S355 WeakPolarHBondContact O-CB 2.99Å; K347-L361 HydrophobicContact CB-CD2 4.12Å; K347-L361 HydrophobicContact CG-CD2 4.09Å; K347-F363 HydrophobicContact CB-CE1 4.04Å; K347-F363 HydrophobicContact CB-CZ 4.37Å; K347-F363 HydrophobicContact CG-CD1 4.03Å; K347-F363 HydrophobicContact CG-CE1 3.64Å; K347-F363 HydrophobicContact CG-CZ 4.38Å; K347-D368 WeakPolarHBondContact CE-O 3.24Å; K347-D368 VanDerWaalsContact NZ-CG 3.3Å; K347-D368 PolarHBondContact NZ-O 3.48Å; K347-D368 IonicContact NZ-OD1 2.67Å; K347-D368 IonicContact NZ-OD2 2.92Å; K347-D368 PolarHBondContact NZ-OD2 3.19Å
348S94.8Very high91.8Very high25 Ų2563.7 Ų63.718%0.17535%0.349CS..  trans-114.6152.8173.359.70000110.6Q342 C346 S350 T354Q342-S348 PolarHBondContact NE2-OG 3.03Å; Q342-S348 VanDerWaalsContact NE2-OG 3.13Å; Q342-S348 PolarHBondContact OE1-OG 3.42Å; C346-S348 PolarHBondContact O-N 3.28Å; S348-S350 PolarHBondContact O-N 3.25Å; S348-T354 WeakPolarHBondContact CA-O 3.14Å
349C95.1Very high91.8Very high1 Ų161.5 Ų61.51%0.00733%0.333CS..BIsolated β-bridgetrans-68.1130.6174.81740000110.5L351 C352 G353 T354 L361 G370 H372C349-L351 PolarHBondContact O-N 3.45Å; C349-L351 VanDerWaalsContact O-N 3.15Å; C349-L351 PolarHBondContact SG-N 3.03Å; C349-C352 WeakPolarHBondContact CB-SG 3.24Å; C349-G353 WeakPolarHBondContact O-CA 3.46Å; C349-G353 PolarHBondContact O-N 3.12Å; C349-T354 PolarHBondContact N-O 2.77Å; C349-L361 HydrophobicContact CB-CD1 3.8Å; C349-G370 CarbonylContact C-O 3.51Å; C349-G370 WeakPolarHBondContact CA-O 3.29Å; C349-H372 WeakPolarHBondContact CB-ND1 3.15Å; C349-H372 PolarHBondContact SG-N 2.82Å; C349-H372 VanDerWaalsContact SG-N 3.43Å
350S92.9Very high91.8Very high64 Ų6462.3 Ų62.345%0.44834%0.339SS..THydrogen-bonded Turntrans-71-6.9179.9-57.70000113.9S348 G370S348-S350 PolarHBondContact O-N 3.25Å; S350-G370 PolarHBondContact N-O 2.75Å; S350-G370 PolarHBondContact OG-O 3.05Å
351L92.7Very high92Very high85 Ų8553.8 Ų53.845%0.44531%0.308SS..THydrogen-bonded Turntrans-102.7-50.5-179.7-62175.5000112.1C349 Y371 C375 L376C349-L351 PolarHBondContact O-N 3.45Å; C349-L351 VanDerWaalsContact O-N 3.15Å; C349-L351 PolarHBondContact SG-N 3.03Å; L351-Y371 HydrophobicContact CD1-CD1 3.86Å; L351-Y371 HydrophobicContact CD1-CE1 4.39Å; L351-Y371 HydrophobicContact CD2-CE1 4.34Å; L351-Y371 HydrophobicContact CG-CD1 3.81Å; L351-Y371 HydrophobicContact CG-CE1 4.02Å; L351-C375 HydrophobicContact CB-CB 4.03Å; L351-C375 HydrophobicContact CD1-CB 3.82Å; L351-C375 WeakPolarHBondContact CD1-O 3.48Å; L351-L376 HydrophobicContact CD1-CD2 4.36Å
352C93.5Very high91.9Very high57 Ų5754.3 Ų54.339%0.38531%0.311SS..THydrogen-bonded Turntrans-98.6-12.4-179.369.40000113.7C349 T354 H372C349-C352 WeakPolarHBondContact CB-SG 3.24Å; C352-T354 PolarHBondContact O-N 2.92Å; C352-T354 PolarHBondContact SG-OG1 2.81Å; C352-H372 PolarHBondContact SG-ND1 3.48Å
353G91.3Very high91.9Very high54 Ų5455.6 Ų55.656%0.55732%0.317SS*.  trans74.3-0.9179.500000115.1C349C349-G353 WeakPolarHBondContact O-CA 3.46Å; C349-G353 PolarHBondContact O-N 3.12Å
354T91.1Very high91.9Very high53 Ų5355 Ų5533%0.32531%0.313SS..  trans-91.7154.3-179.772.20000111.4S348 C349 C352 H372S348-T354 WeakPolarHBondContact CA-O 3.14Å; C349-T354 PolarHBondContact N-O 2.77Å; C352-T354 PolarHBondContact O-N 2.92Å; C352-T354 PolarHBondContact SG-OG1 2.81Å; T354-H372 PolarHBondContact OG1-CE1 2.78Å
355S91.5Very high91.9Very high74 Ų7455.6 Ų55.652%0.51732%0.317SS..  trans-107.613.5170640000112K347K347-S355 VanDerWaalsContact O-CB 3.31Å; K347-S355 WeakPolarHBondContact O-CB 2.99Å
356E86.4Confident91.8Very high136 Ų13651.2 Ų51.264%0.63630%0.296SS*.  trans-74160.1175.6-61-175175.600109.9D358 H372E356-D358 PolarHBondContact O-N 2.72Å; E356-H372 PolarHBondContact O-CE1 3.32Å; E356-H372 VanDerWaalsContact O-CE1 3.3Å; E356-H372 PolarHBondContact O-NE2 2.92Å
357N88.9Confident91.8Very high80 Ų8050.1 Ų50.143%0.42829%0.289SS..  trans51.753.4-178.4-52.7-47.2000112.8D359 Q360 H372 Y374N357-D359 VanDerWaalsContact CA-OD1 3.23Å; N357-D359 WeakPolarHBondContact CA-OD1 3.27Å; N357-D359 PolarHBondContact O-N 3.3Å; N357-Q360 PolarHBondContact O-N 2.83Å; N357-Q360 VanDerWaalsContact O-N 3.13Å; N357-H372 PolarHBondContact O-CD2 3.49Å; N357-H372 PolarHBondContact O-NE2 2.85Å; N357-Y374 HydrophobicContact CB-CE1 4.27Å; N357-Y374 PolarHBondContact ND2-OH 3.42Å
358D88.6Confident91.8Very high99 Ų9950.6 Ų50.653%0.52929%0.292SS..G310 helixtrans-62.8-16.6178.967.9-39.8000112.9K243 E356 Q360 L361K243-D358 WeakPolarHBondContact CE-OD2 3.4Å; K243-D358 IonicContact NZ-OD1 3.3Å; K243-D358 PolarHBondContact NZ-OD1 3.49Å; K243-D358 IonicContact NZ-OD2 2.82Å; K243-D358 PolarHBondContact NZ-OD2 2.9Å; E356-D358 PolarHBondContact O-N 2.72Å; D358-Q360 VanDerWaalsContact C-N 3.32Å; D358-L361 PolarHBondContact O-N 3.48Å
359D87.2Confident91.8Very high66 Ų6651.7 Ų51.735%0.35329%0.292SS..G310 helixtrans-65.1-32.7172.452.5-54.8000113.2K243 N357K243-D359 HydrophobicContact CD-CB 3.63Å; K243-D359 VanDerWaalsContact NZ-CB 3.27Å; N357-D359 VanDerWaalsContact CA-OD1 3.23Å; N357-D359 WeakPolarHBondContact CA-OD1 3.27Å; N357-D359 PolarHBondContact O-N 3.3Å
360Q90.3Very high91.8Very high69 Ų6951.7 Ų51.732%0.32229%0.292SS..G310 helixtrans-105.511.6-178.5-71.516866.800111.9N357 D358 H372 M373 Y374N357-Q360 PolarHBondContact O-N 2.83Å; N357-Q360 VanDerWaalsContact O-N 3.13Å; D358-Q360 VanDerWaalsContact C-N 3.32Å; Q360-H372 CarbonylContact O-C 3.55Å; Q360-H372 VanDerWaalsContact O-CA 3.27Å; Q360-H372 WeakPolarHBondContact O-CA 3.21Å; Q360-M373 HydrophobicContact CB-SD 4.33Å; Q360-M373 HydrophobicContact CG-SD 4.44Å; Q360-M373 WeakPolarHBondContact O-CG 3.45Å; Q360-M373 PolarHBondContact O-N 3.39Å; Q360-Y374 HydrophobicContact CB-CD1 4.36Å; Q360-Y374 HydrophobicContact CB-CE1 4.31Å
361L93.7Very high91.9Very high17 Ų1748.7 Ų48.79%0.08927%0.271CS..EExtended strand (participates in β ladder)trans-92.4105.6-179.3-171.568.5000110.2K347 C349 D358 F363K347-L361 HydrophobicContact CB-CD2 4.12Å; K347-L361 HydrophobicContact CG-CD2 4.09Å; C349-L361 HydrophobicContact CB-CD1 3.8Å; D358-L361 PolarHBondContact O-N 3.48Å; L361-F363 HydrophobicContact CD2-CE1 4.03Å; L361-F363 HydrophobicContact CG-CE1 4.07Å
362L93.3Very high92Very high23 Ų2344.6 Ų44.612%0.1225%0.25CC..EExtended strand (participates in β ladder)trans-82144.5176.2-63.2178.1000111.5G370 Y371 M373 L376 M380 P383 P384 W388L362-G370 CarbonylContact O-C 3.57Å; L362-G370 VanDerWaalsContact O-CA 3.26Å; L362-G370 WeakPolarHBondContact O-CA 3.18Å; L362-Y371 PolarHBondContact N-O 3.33Å; L362-Y371 PolarHBondContact O-N 3.43Å; L362-M373 HydrophobicContact CD1-CG 3.66Å; L362-M373 HydrophobicContact CD2-CG 4.18Å; L362-M373 HydrophobicContact CD2-SD 4.28Å; L362-M373 HydrophobicContact CG-CG 3.63Å; L362-M373 HydrophobicContact CG-SD 4.36Å; L362-L376 HydrophobicContact CD1-CD1 4.43Å; L362-M380 HydrophobicContact CD1-CE 3.32Å; L362-P383 HydrophobicContact CD2-CB 4.1Å; L362-P384 HydrophobicContact CD1-CG 4.31Å; L362-W388 HydrophobicContact CB-CE3 4.1Å; L362-W388 HydrophobicContact CB-CZ3 4.01Å; L362-W388 HydrophobicContact CD1-CD2 4.31Å
363F94.9Very high91.9Very high62 Ų6242.3 Ų42.327%0.27223%0.234SC..EExtended strand (participates in β ladder)trans-104.8132.9170.4-53.3-22.9000109.5I344 K347 L361I344-F363 HydrophobicContact CD1-CE2 3.84Å; I344-F363 HydrophobicContact CD1-CZ 4.43Å; I344-F363 HydrophobicContact CG1-CE2 3.73Å; I344-F363 HydrophobicContact CG1-CZ 3.9Å; K347-F363 HydrophobicContact CB-CE1 4.04Å; K347-F363 HydrophobicContact CB-CZ 4.37Å; K347-F363 HydrophobicContact CG-CD1 4.03Å; K347-F363 HydrophobicContact CG-CE1 3.64Å; K347-F363 HydrophobicContact CG-CZ 4.38Å; L361-F363 HydrophobicContact CD2-CE1 4.03Å; L361-F363 HydrophobicContact CG-CE1 4.07Å
364C93.3Very high92Very high1 Ų144.2 Ų44.21%0.00723%0.225CC..  trans-72.5125.3175.9176.10000110.8D366 C367 D368 R369 W388 C390C364-D366 PolarHBondContact O-N 2.84Å; C364-C367 PolarHBondContact O-N 3.37Å; C364-D368 VanDerWaalsContact O-CA 3.26Å; C364-D368 WeakPolarHBondContact O-CA 3.32Å; C364-D368 PolarHBondContact O-N 2.93Å; C364-R369 PolarHBondContact N-O 2.7Å; C364-W388 HydrophobicContact CB-CE3 4.36Å; C364-W388 HydrophobicContact CB-CZ3 4Å; C364-C390 HydrophobicContact CB-CB 3.92Å; C364-C390 PolarHBondContact SG-N 3.07Å; C364-C390 VanDerWaalsContact SG-SG 3.62Å
365D91.1Very high92.1Very high66 Ų6643.4 Ų43.435%0.35322%0.221SC..THydrogen-bonded Turntrans-67.5-21-178.6-69-46.8000114S387 W388D365-S387 WeakPolarHBondContact OD2-CA 3.19Å; D365-S387 VanDerWaalsContact OD2-CB 3.31Å; D365-S387 WeakPolarHBondContact OD2-CB 3.13Å; D365-W388 PolarHBondContact N-O 2.96Å; D365-W388 PolarHBondContact OD2-N 3.5Å
366D90.1Very high92.1Very high11 Ų1141 Ų416%0.05920%0.202CC..THydrogen-bonded Turntrans-92.5-16.8179-68.1-58.5000114.8M332 C364 S389 C393 L397 S402M332-D366 WeakPolarHBondContact CA-O 3.28Å; C364-D366 PolarHBondContact O-N 2.84Å; D366-S389 WeakPolarHBondContact OD2-CB 3.31Å; D366-S389 PolarHBondContact OD2-OG 3.2Å; D366-C393 HydrophobicContact CB-CB 3.94Å; D366-L397 HydrophobicContact CB-CD1 4.12Å; D366-S402 PolarHBondContact OD2-N 3.14Å; D366-S402 PolarHBondContact OD2-OG 3.44Å
367C91.9Very high92Very high0 Ų040.4 Ų40.40%021%0.213CC..THydrogen-bonded Turntrans-147.2-1.2-177.474.50000115.8A335 V336 Y339 C364 R369 C390 C393A335-C367 HydrophobicContact CB-CB 3.75Å; V336-C367 WeakPolarHBondContact CG1-O 3.38Å; Y339-C367 HydrophobicContact CE1-CB 4.49Å; Y339-C367 WeakPolarHBondContact CE1-O 3.44Å; Y339-C367 PolarHBondContact OH-O 2.64Å; C364-C367 PolarHBondContact O-N 3.37Å; C367-R369 PolarHBondContact O-N 2.93Å; C367-R369 PolarHBondContact SG-NH1 3.18Å; C367-R369 VanDerWaalsContact SG-NH1 3.36Å; C367-C390 VanDerWaalsContact SG-SG 3.68Å; C367-C393 VanDerWaalsContact CB-SG 3.54Å; C367-C393 PolarHBondContact SG-SG 2.86Å
368D95.1Very high91.9Very high19 Ų1941.1 Ų41.110%0.10222%0.222CC..  trans60.417.4-179.5-155.641000115.6F328 M332 V336 W341 K347 C364F328-D368 HydrophobicContact CZ-CB 4.31Å; M332-D368 HydrophobicContact CG-CB 4.2Å; M332-D368 HydrophobicContact SD-CB 3.7Å; V336-D368 HydrophobicContact CG1-CB 3.97Å; W341-D368 PolarHBondContact NE1-OD2 3.32Å; K347-D368 WeakPolarHBondContact CE-O 3.24Å; K347-D368 VanDerWaalsContact NZ-CG 3.3Å; K347-D368 PolarHBondContact NZ-O 3.48Å; K347-D368 IonicContact NZ-OD1 2.67Å; K347-D368 IonicContact NZ-OD2 2.92Å; K347-D368 PolarHBondContact NZ-OD2 3.19Å; C364-D368 VanDerWaalsContact O-CA 3.26Å; C364-D368 WeakPolarHBondContact O-CA 3.32Å; C364-D368 PolarHBondContact O-N 2.93Å
369R94.3Very high91.9Very high48 Ų4840.7 Ų40.718%0.18122%0.224CC..  trans-73.9140.7173.4-76-177.3179.982.7-3.6111.1Y339 C364 C367 Y371Y339-R369 HydrophobicContact CE1-CG 4.25Å; Y339-R369 HydrophobicContact CE2-CG 3.9Å; C364-R369 PolarHBondContact N-O 2.7Å; C367-R369 PolarHBondContact O-N 2.93Å; C367-R369 PolarHBondContact SG-NH1 3.18Å; C367-R369 VanDerWaalsContact SG-NH1 3.36Å; R369-Y371 HydrophobicContact CB-CD2 4.32Å; R369-Y371 HydrophobicContact CB-CE2 3.49Å; R369-Y371 VanDerWaalsContact CB-CE2 3.49Å; R369-Y371 WeakPolarHBondContact O-CD2 3.47Å
370G95Very high91.9Very high1 Ų139.9 Ų39.91%0.0122%0.219CC..EExtended strand (participates in β ladder)trans-84.1136.417700000112.8C349 S350 L362C349-G370 CarbonylContact C-O 3.51Å; C349-G370 WeakPolarHBondContact CA-O 3.29Å; S350-G370 PolarHBondContact N-O 2.75Å; S350-G370 PolarHBondContact OG-O 3.05Å; L362-G370 CarbonylContact O-C 3.57Å; L362-G370 VanDerWaalsContact O-CA 3.26Å; L362-G370 WeakPolarHBondContact O-CA 3.18Å
371Y95.5Very high91.6Very high1 Ų142 Ų420%0.00424%0.242CC..EExtended strand (participates in β ladder)trans-142125.3173.8-64.1-90.1000110.9L351 L362 R369 L376 W388 C390 H391L351-Y371 HydrophobicContact CD1-CD1 3.86Å; L351-Y371 HydrophobicContact CD1-CE1 4.39Å; L351-Y371 HydrophobicContact CD2-CE1 4.34Å; L351-Y371 HydrophobicContact CG-CD1 3.81Å; L351-Y371 HydrophobicContact CG-CE1 4.02Å; L362-Y371 PolarHBondContact N-O 3.33Å; L362-Y371 PolarHBondContact O-N 3.43Å; R369-Y371 HydrophobicContact CB-CD2 4.32Å; R369-Y371 HydrophobicContact CB-CE2 3.49Å; R369-Y371 VanDerWaalsContact CB-CE2 3.49Å; R369-Y371 WeakPolarHBondContact O-CD2 3.47Å; Y371-L376 HydrophobicContact CD1-CD2 4.17Å; Y371-L376 HydrophobicContact CG-CD2 4.23Å; Y371-W388 AromaticContact CD2-CH2 3.51Å; Y371-W388 HydrophobicContact CD2-CH2 3.51Å; Y371-W388 AromaticContact CD2-CZ3 3.85Å; Y371-W388 HydrophobicContact CD2-CZ3 3.85Å; Y371-W388 HydrophobicContact CE2-CH2 4.31Å; Y371-W388 AromaticContact CG-CH2 3.82Å; Y371-W388 HydrophobicContact CG-CH2 3.82Å; Y371-W388 HydrophobicContact CG-CZ3 4.5Å; Y371-C390 HydrophobicContact CD2-CB 3.76Å; Y371-C390 HydrophobicContact CE2-CB 3.14Å; Y371-H391 AromaticContact CE1-CE1 3.65Å; Y371-H391 AromaticContact CE1-ND1 3.92Å
372H95.1Very high91.2Very high0 Ų048.3 Ų48.30%027%0.271CS..EExtended strand (participates in β ladder)trans-66.7137.7169.8-69116.1000110.3C349 C352 T354 E356 N357 Q360 Y374 C375 L376C349-H372 WeakPolarHBondContact CB-ND1 3.15Å; C349-H372 PolarHBondContact SG-N 2.82Å; C349-H372 VanDerWaalsContact SG-N 3.43Å; C352-H372 PolarHBondContact SG-ND1 3.48Å; T354-H372 PolarHBondContact OG1-CE1 2.78Å; E356-H372 PolarHBondContact O-CE1 3.32Å; E356-H372 VanDerWaalsContact O-CE1 3.3Å; E356-H372 PolarHBondContact O-NE2 2.92Å; N357-H372 PolarHBondContact O-CD2 3.49Å; N357-H372 PolarHBondContact O-NE2 2.85Å; Q360-H372 CarbonylContact O-C 3.55Å; Q360-H372 VanDerWaalsContact O-CA 3.27Å; Q360-H372 WeakPolarHBondContact O-CA 3.21Å; H372-Y374 HydrophobicContact CB-CD1 3.88Å; H372-Y374 HydrophobicContact CB-CD2 4.15Å; H372-Y374 HydrophobicContact CB-CE1 3.55Å; H372-Y374 HydrophobicContact CB-CE2 3.86Å; H372-Y374 HydrophobicContact CB-CG 4.16Å; H372-Y374 AromaticContact CD2-CE1 3.69Å; H372-Y374 AromaticContact CD2-CZ 3.74Å; H372-Y374 PolarHBondContact CD2-OH 3.34Å; H372-Y374 PolarHBondContact CE1-OH 2.78Å; H372-Y374 AromaticContact CG-CE1 3.63Å; H372-Y374 AromaticContact CG-CZ 3.4Å; H372-Y374 VanDerWaalsContact CG-OH 3.29Å; H372-Y374 AromaticContact ND1-CZ 3.74Å; H372-Y374 PolarHBondContact ND1-OH 3.33Å; H372-Y374 PolarHBondContact NE2-OH 3.39Å; H372-Y374 PolarHBondContact O-N 2.85Å; H372-C375 HydrophobicContact CB-CB 3.96Å; H372-C375 PolarHBondContact O-N 2.93Å; H372-L376 PolarHBondContact O-N 3.42Å
373M91.9Very high90.9Very high8 Ų851.1 Ų51.14%0.03929%0.29CS..G310 helixtrans-55.6-38.2177.1-67.1167.949.600112.1Q360 L362 P379 M380 S381 E382Q360-M373 HydrophobicContact CB-SD 4.33Å; Q360-M373 HydrophobicContact CG-SD 4.44Å; Q360-M373 WeakPolarHBondContact O-CG 3.45Å; Q360-M373 PolarHBondContact O-N 3.39Å; L362-M373 HydrophobicContact CD1-CG 3.66Å; L362-M373 HydrophobicContact CD2-CG 4.18Å; L362-M373 HydrophobicContact CD2-SD 4.28Å; L362-M373 HydrophobicContact CG-CG 3.63Å; L362-M373 HydrophobicContact CG-SD 4.36Å; M373-P379 WeakPolarHBondContact O-CA 3.4Å; M373-M380 HydrophobicContact CB-CB 4.18Å; M373-M380 VanDerWaalsContact CB-O 3.32Å; M373-M380 WeakPolarHBondContact CB-O 3.38Å; M373-M380 HydrophobicContact CE-CB 4.35Å; M373-M380 WeakPolarHBondContact CE-O 3.18Å; M373-M380 PolarHBondContact O-N 2.96Å; M373-S381 VanDerWaalsContact CE-O 3.3Å; M373-S381 WeakPolarHBondContact CE-O 3.39Å; M373-E382 VanDerWaalsContact CE-CA 3.41Å; M373-E382 WeakPolarHBondContact CE-O 3.48Å
374Y93.2Very high90.4Very high94 Ų9450.2 Ų50.237%0.36929%0.291SS..G310 helixtrans-78.4-17.4177.160.7-99.2000114.4N357 Q360 H372 L376N357-Y374 HydrophobicContact CB-CE1 4.27Å; N357-Y374 PolarHBondContact ND2-OH 3.42Å; Q360-Y374 HydrophobicContact CB-CD1 4.36Å; Q360-Y374 HydrophobicContact CB-CE1 4.31Å; H372-Y374 HydrophobicContact CB-CD1 3.88Å; H372-Y374 HydrophobicContact CB-CD2 4.15Å; H372-Y374 HydrophobicContact CB-CE1 3.55Å; H372-Y374 HydrophobicContact CB-CE2 3.86Å; H372-Y374 HydrophobicContact CB-CG 4.16Å; H372-Y374 AromaticContact CD2-CE1 3.69Å; H372-Y374 AromaticContact CD2-CZ 3.74Å; H372-Y374 PolarHBondContact CD2-OH 3.34Å; H372-Y374 PolarHBondContact CE1-OH 2.78Å; H372-Y374 AromaticContact CG-CE1 3.63Å; H372-Y374 AromaticContact CG-CZ 3.4Å; H372-Y374 VanDerWaalsContact CG-OH 3.29Å; H372-Y374 AromaticContact ND1-CZ 3.74Å; H372-Y374 PolarHBondContact ND1-OH 3.33Å; H372-Y374 PolarHBondContact NE2-OH 3.39Å; H372-Y374 PolarHBondContact O-N 2.85Å; Y374-L376 VanDerWaalsContact C-N 3.33Å
375C92.5Very high89.9Confident36 Ų3659.8 Ų59.824%0.24334%0.335CS..G310 helixtrans-82.8-14.4174.7-71.70000112.4L351 H372L351-C375 HydrophobicContact CB-CB 4.03Å; L351-C375 HydrophobicContact CD1-CB 3.82Å; L351-C375 WeakPolarHBondContact CD1-O 3.48Å; H372-C375 HydrophobicContact CB-CB 3.96Å; H372-C375 PolarHBondContact O-N 2.93Å
376L90.9Very high89.6Confident23 Ų2360 Ų6012%0.1235%0.353CS..SBendtrans-71.1157.9177.4-61.8174.4000111.2L351 L362 Y371 H372 Y374 P378 P379 M380 W388L351-L376 HydrophobicContact CD1-CD2 4.36Å; L362-L376 HydrophobicContact CD1-CD1 4.43Å; Y371-L376 HydrophobicContact CD1-CD2 4.17Å; Y371-L376 HydrophobicContact CG-CD2 4.23Å; H372-L376 PolarHBondContact O-N 3.42Å; Y374-L376 VanDerWaalsContact C-N 3.33Å; L376-P378 VanDerWaalsContact C-C 3.49Å; L376-P378 CarbonylContact C-O 3.52Å; L376-P378 WeakPolarHBondContact CB-O 3.46Å; L376-P378 CarbonylContact O-C 3.26Å; L376-P378 VanDerWaalsContact O-C 3.26Å; L376-P379 VanDerWaalsContact O-CA 3.3Å; L376-P379 WeakPolarHBondContact O-CA 3.47Å; L376-P379 VanDerWaalsContact O-N 3.08Å; L376-M380 HydrophobicContact CD1-CE 3.26Å; L376-M380 HydrophobicContact CD1-CG 4.31Å; L376-W388 HydrophobicContact CD1-CH2 4.46Å; L376-W388 HydrophobicContact CD1-CZ2 3.75Å; L376-W388 HydrophobicContact CD2-CH2 4.33Å; L376-W388 HydrophobicContact CD2-CZ2 4Å
377S85.3Confident89.3Confident124 Ų12462.7 Ų62.787%0.86737%0.373SS*.SBendtrans-128.4105.8174.7178.10000108.9
378P86.7Confident89.3Confident96 Ų9663.5 Ų63.562%0.62338%0.376SS*.SBendcis-69.6152.60.130.1-35.4000113.1L376L376-P378 VanDerWaalsContact C-C 3.49Å; L376-P378 CarbonylContact C-O 3.52Å; L376-P378 WeakPolarHBondContact CB-O 3.46Å; L376-P378 CarbonylContact O-C 3.26Å; L376-P378 VanDerWaalsContact O-C 3.26Å
379P89.6Confident89.1Confident89 Ų8962.7 Ų62.758%0.57837%0.372SS*.PPolyproline II helixtrans-68.7145.2175.628.9-33.9000110.2M373 L376M373-P379 WeakPolarHBondContact O-CA 3.4Å; L376-P379 VanDerWaalsContact O-CA 3.3Å; L376-P379 WeakPolarHBondContact O-CA 3.47Å; L376-P379 VanDerWaalsContact O-N 3.08Å
380M86.8Confident88.9Confident50 Ų5060.4 Ų60.425%0.24636%0.363CS..PPolyproline II helixtrans-103.2138.6177.4-63.6-160.9-75.500110.4L362 M373 L376 P384 W388L362-M380 HydrophobicContact CD1-CE 3.32Å; M373-M380 HydrophobicContact CB-CB 4.18Å; M373-M380 VanDerWaalsContact CB-O 3.32Å; M373-M380 WeakPolarHBondContact CB-O 3.38Å; M373-M380 HydrophobicContact CE-CB 4.35Å; M373-M380 WeakPolarHBondContact CE-O 3.18Å; M373-M380 PolarHBondContact O-N 2.96Å; L376-M380 HydrophobicContact CD1-CE 3.26Å; L376-M380 HydrophobicContact CD1-CG 4.31Å; M380-P384 HydrophobicContact CE-CG 4.31Å; M380-W388 HydrophobicContact CE-CZ2 4.44Å
381S83.9Confident88.5Confident114 Ų11463.9 Ų63.980%0.79738%0.379SS*.SBendtrans-92.7-27.717653.10000112.8M373M373-S381 VanDerWaalsContact CE-O 3.3Å; M373-S381 WeakPolarHBondContact CE-O 3.39Å
382E85.3Confident88.2Confident149 Ų14966.9 Ų66.970%0.69639%0.394SS*.SBendtrans-128.7146.9-179.3-66.4-176.1177.700110.7M373M373-E382 VanDerWaalsContact CE-CA 3.41Å; M373-E382 WeakPolarHBondContact CE-O 3.48Å
383P86.3Confident87.9Confident82 Ų8267.3 Ų67.353%0.53240%0.398SS..PPolyproline II helixtrans-62.1136.2175.226-33000109.6L362L362-P383 HydrophobicContact CD2-CB 4.1Å
384P84.8Confident87.6Confident43 Ų4369.7 Ų69.728%0.27941%0.41SS..PPolyproline II helixtrans-62.4143.3-176.323.1-32.2000112.1L362 M380 G386 W388L362-P384 HydrophobicContact CD1-CG 4.31Å; M380-P384 HydrophobicContact CE-CG 4.31Å; P384-G386 PolarHBondContact O-N 3.32Å; P384-W388 HydrophobicContact CB-CB 4.4Å; P384-W388 HydrophobicContact CG-CB 3.56Å; P384-W388 HydrophobicContact CG-CG 3.7Å
385E82Confident87.2Confident202 Ų20273.9 Ų73.994%0.94443%0.425SS*.SBendtrans-73.6119.2173.6-65.2-171.6171.200110.1
386G84.9Confident86.7Confident71 Ų7179.7 Ų79.773%0.73245%0.449SS*.SBendtrans90.7-146.7179.600000113.3P384P384-G386 PolarHBondContact O-N 3.32Å
387S85.1Confident85.9Confident67 Ų6781.2 Ų81.247%0.46946%0.457SS..  trans-81.7146.8-177.6-67.60000111.9D365 A403D365-S387 WeakPolarHBondContact OD2-CA 3.19Å; D365-S387 VanDerWaalsContact OD2-CB 3.31Å; D365-S387 WeakPolarHBondContact OD2-CB 3.13Å; S387-A403 VanDerWaalsContact O-CB 3.31Å; S387-A403 WeakPolarHBondContact O-CB 3.25Å
388W90.1Very high85.4Confident17 Ų1782.7 Ų82.76%0.06445%0.448CS..  trans-133.9128.7178.8178.882.4000112.5L362 C364 D365 Y371 L376 M380 P384 C390L362-W388 HydrophobicContact CB-CE3 4.1Å; L362-W388 HydrophobicContact CB-CZ3 4.01Å; L362-W388 HydrophobicContact CD1-CD2 4.31Å; C364-W388 HydrophobicContact CB-CE3 4.36Å; C364-W388 HydrophobicContact CB-CZ3 4Å; D365-W388 PolarHBondContact N-O 2.96Å; D365-W388 PolarHBondContact OD2-N 3.5Å; Y371-W388 AromaticContact CD2-CH2 3.51Å; Y371-W388 HydrophobicContact CD2-CH2 3.51Å; Y371-W388 AromaticContact CD2-CZ3 3.85Å; Y371-W388 HydrophobicContact CD2-CZ3 3.85Å; Y371-W388 HydrophobicContact CE2-CH2 4.31Å; Y371-W388 AromaticContact CG-CH2 3.82Å; Y371-W388 HydrophobicContact CG-CH2 3.82Å; Y371-W388 HydrophobicContact CG-CZ3 4.5Å; L376-W388 HydrophobicContact CD1-CH2 4.46Å; L376-W388 HydrophobicContact CD1-CZ2 3.75Å; L376-W388 HydrophobicContact CD2-CH2 4.33Å; L376-W388 HydrophobicContact CD2-CZ2 4Å; M380-W388 HydrophobicContact CE-CZ2 4.44Å; P384-W388 HydrophobicContact CB-CB 4.4Å; P384-W388 HydrophobicContact CG-CB 3.56Å; P384-W388 HydrophobicContact CG-CG 3.7Å; W388-C390 HydrophobicContact CH2-CB 3.74Å; W388-C390 HydrophobicContact CZ2-CB 4.37Å; W388-C390 HydrophobicContact CZ3-CB 4.09Å
389S90.8Very high84.3Confident1 Ų186.3 Ų86.31%0.00746%0.456CS..  trans-108.3133.1176.9-51.40000110.7D366 S402 A403D366-S389 WeakPolarHBondContact OD2-CB 3.31Å; D366-S389 PolarHBondContact OD2-OG 3.2Å; S389-S402 PolarHBondContact OG-N 2.96Å; S389-S402 PolarHBondContact OG-OG 3.39Å; S389-A403 PolarHBondContact OG-N 3.32Å; S389-A403 VanDerWaalsContact OG-N 3.1Å
390C90.6Very high83.2Confident0 Ų090.1 Ų90.10%046%0.464CS..  trans-70.3161.4174.273.80000112.5C364 C367 Y371 W388 L392 C393 L394C364-C390 HydrophobicContact CB-CB 3.92Å; C364-C390 PolarHBondContact SG-N 3.07Å; C364-C390 VanDerWaalsContact SG-SG 3.62Å; C367-C390 VanDerWaalsContact SG-SG 3.68Å; Y371-C390 HydrophobicContact CD2-CB 3.76Å; Y371-C390 HydrophobicContact CE2-CB 3.14Å; W388-C390 HydrophobicContact CH2-CB 3.74Å; W388-C390 HydrophobicContact CZ2-CB 4.37Å; W388-C390 HydrophobicContact CZ3-CB 4.09Å; C390-L392 PolarHBondContact O-N 2.82Å; C390-C393 PolarHBondContact O-N 2.76Å; C390-L394 WeakPolarHBondContact O-CG 3.39Å; C390-L394 PolarHBondContact O-N 3.35Å
391H87.8Confident82.1Confident75 Ų7588.2 Ų88.235%0.34746%0.456SS..Hα-helixtrans-55.4-28.9-179.269.8-86.8000114.4Y371 R395Y371-H391 AromaticContact CE1-CE1 3.65Å; Y371-H391 AromaticContact CE1-ND1 3.92Å; H391-R395 WeakPolarHBondContact O-CB 3.11Å; H391-R395 PolarHBondContact O-N 3.04Å
392L89.4Confident81.1Confident63 Ų6385.3 Ų85.333%0.3344%0.436SS..Hα-helixtrans-69.5-45.3175.1-61179.6000111.6C390 R395 Q396C390-L392 PolarHBondContact O-N 2.82Å; L392-R395 PolarHBondContact O-N 3.37Å; L392-Q396 WeakPolarHBondContact O-CB 3.36Å; L392-Q396 PolarHBondContact O-N 3.47Å
393C88.8Confident80Confident10 Ų1078.8 Ų78.87%0.06841%0.407CS..Hα-helixtrans-67.3-40.1176.6-71.50000111.3D366 C367 C390 R395 Q396 L397D366-C393 HydrophobicContact CB-CB 3.94Å; C367-C393 VanDerWaalsContact CB-SG 3.54Å; C367-C393 PolarHBondContact SG-SG 2.86Å; C390-C393 PolarHBondContact O-N 2.76Å; C393-R395 VanDerWaalsContact C-N 3.33Å; C393-R395 PolarHBondContact O-N 2.7Å; C393-Q396 PolarHBondContact O-N 3.02Å; C393-L397 HydrophobicContact CB-CD1 4.33Å; C393-L397 WeakPolarHBondContact O-CA 3.29Å; C393-L397 VanDerWaalsContact O-CB 3.25Å; C393-L397 WeakPolarHBondContact O-CB 3.04Å; C393-L397 PolarHBondContact O-N 3.07Å
394L85.7Confident78.2Confident58 Ų5882.6 Ų82.630%0.30441%0.412SS..Hα-helixtrans-59.1-43.7174.2-66.2175000111.8C390 K398 A401 A403C390-L394 WeakPolarHBondContact O-CG 3.39Å; C390-L394 PolarHBondContact O-N 3.35Å; L394-K398 VanDerWaalsContact O-CA 3.3Å; L394-K398 WeakPolarHBondContact O-CA 3.35Å; L394-K398 PolarHBondContact O-N 2.85Å; L394-A401 HydrophobicContact CD2-CB 3.83Å; L394-A403 WeakPolarHBondContact CD2-O 3.19Å
395R84.4Confident76.5Confident181 Ų18184.9 Ų84.968%0.68342%0.421SS*.Hα-helixtrans-67.4-38.7178.2-169.1-178.2-63.4147.50.9112.6H391 L392 C393H391-R395 WeakPolarHBondContact O-CB 3.11Å; H391-R395 PolarHBondContact O-N 3.04Å; L392-R395 PolarHBondContact O-N 3.37Å; C393-R395 VanDerWaalsContact C-N 3.33Å; C393-R395 PolarHBondContact O-N 2.7Å
396Q81.4Confident74.4Confident158 Ų15879.2 Ų79.274%0.73840%0.4SS*.Hα-helixtrans-83-40.3-174.1-169.1643100113.1L392 C393L392-Q396 WeakPolarHBondContact O-CB 3.36Å; L392-Q396 PolarHBondContact O-N 3.47Å; C393-Q396 PolarHBondContact O-N 3.02Å
397L75.3Confident72.1Confident55 Ų5583.2 Ų83.229%0.28840%0.404SS..Hα-helixtrans-100.4-19-172.4-59.2175.5000112.8D366 C393 E399 K400 A401D366-L397 HydrophobicContact CB-CD1 4.12Å; C393-L397 HydrophobicContact CB-CD1 4.33Å; C393-L397 WeakPolarHBondContact O-CA 3.29Å; C393-L397 VanDerWaalsContact O-CB 3.25Å; C393-L397 WeakPolarHBondContact O-CB 3.04Å; C393-L397 PolarHBondContact O-N 3.07Å; L397-E399 PolarHBondContact O-N 2.57Å; L397-E399 VanDerWaalsContact O-N 3.11Å; L397-K400 HydrophobicContact CB-CB 4.22Å; L397-K400 WeakPolarHBondContact O-CB 3.13Å; L397-K400 PolarHBondContact O-N 3.27Å; L397-A401 HydrophobicContact CB-CB 4.2Å
398K74.6Confident69.5Low155 Ų15589.3 Ų89.367%0.67444%0.439SS*.G310 helixtrans46.5-114.2-177.5-60.9-176.4179.9-177.40111.2L394 K400 A401L394-K398 VanDerWaalsContact O-CA 3.3Å; L394-K398 WeakPolarHBondContact O-CA 3.35Å; L394-K398 PolarHBondContact O-N 2.85Å; K398-K400 PolarHBondContact O-N 2.74Å; K398-A401 WeakPolarHBondContact O-CB 3.46Å; K398-A401 PolarHBondContact O-N 3.19Å
399E63.4Low68.5Low172 Ų17293 Ų9380%0.80446%0.458SS*.G310 helixtrans-66.7-13.4-179.8-61.6-176.6174.300114.4L397L397-E399 PolarHBondContact O-N 2.57Å; L397-E399 VanDerWaalsContact O-N 3.11Å
400K65.4Low67.3Low170 Ų17097.8 Ų97.874%0.73948%0.481SS*.G310 helixtrans-91.2-1.3176.8-60.7-176.6179.9-178.80113.5L397 K398L397-K400 HydrophobicContact CB-CB 4.22Å; L397-K400 WeakPolarHBondContact O-CB 3.13Å; L397-K400 PolarHBondContact O-N 3.27Å; K398-K400 PolarHBondContact O-N 2.74Å
401A65.3Low66Low10 Ų10103.2 Ų103.28%0.08351%0.508CS..SBendtrans-73.3143.1175.600000110.3L394 L397 K398 A403L394-A401 HydrophobicContact CD2-CB 3.83Å; L397-A401 HydrophobicContact CB-CB 4.2Å; K398-A401 WeakPolarHBondContact O-CB 3.46Å; K398-A401 PolarHBondContact O-N 3.19Å; A401-A403 PolarHBondContact O-N 2.79Å; A401-A403 VanDerWaalsContact O-N 3.14Å
402S60.9Low64.8Low53 Ų53104.9 Ų104.937%0.37152%0.518SS..SBendtrans-62.5-19-177.153.10000114.4D366 S389D366-S402 PolarHBondContact OD2-N 3.14Å; D366-S402 PolarHBondContact OD2-OG 3.44Å; S389-S402 PolarHBondContact OG-N 2.96Å; S389-S402 PolarHBondContact OG-OG 3.39Å
403A62.2Low63.2Low12 Ų12107.5 Ų107.510%0.09953%0.529CS..  trans-126.8103.2171.900000111.3S387 S389 L394 A401 I405S387-A403 VanDerWaalsContact O-CB 3.31Å; S387-A403 WeakPolarHBondContact O-CB 3.25Å; S389-A403 PolarHBondContact OG-N 3.32Å; S389-A403 VanDerWaalsContact OG-N 3.1Å; L394-A403 WeakPolarHBondContact CD2-O 3.19Å; A401-A403 PolarHBondContact O-N 2.79Å; A401-A403 VanDerWaalsContact O-N 3.14Å; A403-I405 PolarHBondContact O-N 3.48Å; A403-I405 VanDerWaalsContact O-N 3.16Å
404Y50.4Low61.5Low162 Ų162114 Ų11464%0.63556%0.56SS**  trans-81.387.5163-172.4-110000108.2T406Y404-T406 HydrophobicContact CD1-CG2 3.68Å; Y404-T406 HydrophobicContact CE1-CG2 3.19Å; Y404-T406 PolarHBondContact O-N 3.43Å; Y404-T406 VanDerWaalsContact O-N 3.12Å
405I48.6Very low59.8Low91 Ų91118 Ų11847%0.46758%0.578SS.*  trans-73.2101.9163.9-60.5174.4000105.6A403 L407A403-I405 PolarHBondContact O-N 3.48Å; A403-I405 VanDerWaalsContact O-N 3.16Å; I405-L407 VanDerWaalsContact C-N 3.3Å; I405-L407 HydrophobicContact CG2-CD2 4.46Å; I405-L407 PolarHBondContact O-N 3.4Å
406T37.3Very low57.9Low82 Ų82113.2 Ų113.250%0.50357%0.57SS.*  trans-57.998.5160.136.50000107.6Y404 T408Y404-T406 HydrophobicContact CD1-CG2 3.68Å; Y404-T406 HydrophobicContact CE1-CG2 3.19Å; Y404-T406 PolarHBondContact O-N 3.43Å; Y404-T406 VanDerWaalsContact O-N 3.12Å; T406-T408 PolarHBondContact O-N 2.99Å
407L36.5Very low56Low155 Ų155109.4 Ų109.481%0.81256%0.556SS**  trans-69.789.2157.1-68.3169.9000106.2I405I405-L407 VanDerWaalsContact C-N 3.3Å; I405-L407 HydrophobicContact CG2-CD2 4.46Å; I405-L407 PolarHBondContact O-N 3.4Å
408T31.8Very low54.2Low196 Ų196114.4 Ų114.4100%1.20258%0.581SS**  trans-87.80161.148.70000109.8T406T406-T408 PolarHBondContact O-N 2.99Å

Retrieved 408 of 408 residues in 213.2 ms (Link to these results)