A0A096N9Q0_PAPAN Loading...

TNF receptor superfamily member 19

AlphaFold DB , UniProt , Accession A0A096N9Q0, Species PAPAN (Papio anubis, Olive baboon), Gene TNFRSF19, Length 417 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
1M55.3Low57.3Low219 Ų219121.4 Ų121.4100%1.07962%0.619SS**  0-470-68.9-169.1-10900112.6L3 K4M1-L3 VanDerWaalsContact C-N 3.34Å; M1-L3 PolarHBondContact O-N 2.9Å; M1-L3 VanDerWaalsContact O-N 3.16Å; M1-K4 PolarHBondContact O-N 2.89Å; M1-K4 VanDerWaalsContact O-N 3.15Å
2A52.2Low58.5Low76 Ų76118.3 Ų118.363%0.62861%0.611SS**Hα-helixtrans-48.5-41.8-177.800000116.4K4 V5 L6A2-K4 VanDerWaalsContact C-N 3.3Å; A2-K4 PolarHBondContact O-N 2.69Å; A2-V5 WeakPolarHBondContact O-CB 3.37Å; A2-V5 PolarHBondContact O-N 3.38Å; A2-L6 PolarHBondContact O-N 3.28Å
3L51.5Low59.5Low149 Ų149118.8 Ų118.878%0.7861%0.606SS**Hα-helixtrans-61.1-33.4-178.1-158.881.2000113.8M1 V5 L7M1-L3 VanDerWaalsContact C-N 3.34Å; M1-L3 PolarHBondContact O-N 2.9Å; M1-L3 VanDerWaalsContact O-N 3.16Å; L3-V5 VanDerWaalsContact C-N 3.35Å; L3-L7 PolarHBondContact O-N 3.4Å
4K52.8Low60.4Low170 Ų170119.3 Ų119.374%0.73960%0.602SS**Hα-helixtrans-68.7-34.4175.2-88.3-171.5171.9-174.90111.9M1 A2 L7 E8M1-K4 PolarHBondContact O-N 2.89Å; M1-K4 VanDerWaalsContact O-N 3.15Å; A2-K4 VanDerWaalsContact C-N 3.3Å; A2-K4 PolarHBondContact O-N 2.69Å; K4-L7 PolarHBondContact O-N 3.29Å; K4-E8 WeakPolarHBondContact O-CG 3.27Å; K4-E8 PolarHBondContact O-N 3.37Å
5V55.1Low61.7Low100 Ų100118.1 Ų118.161%0.60660%0.597SS**Hα-helixtrans-68.3-42.4-179.9-178.40000110.5A2 L3 E8 Q9A2-V5 WeakPolarHBondContact O-CB 3.37Å; A2-V5 PolarHBondContact O-N 3.38Å; L3-V5 VanDerWaalsContact C-N 3.35Å; V5-E8 PolarHBondContact O-N 3.18Å; V5-Q9 WeakPolarHBondContact O-CB 3.46Å; V5-Q9 PolarHBondContact O-N 3.16Å
6L54.5Low62.6Low107 Ų107116.7 Ų116.756%0.5659%0.591SS**Hα-helixtrans-61.2-44.1173.6-88.5162.3000112.5A2 E8 Q9 E10A2-L6 PolarHBondContact O-N 3.28Å; L6-E8 PolarHBondContact O-N 2.85Å; L6-Q9 WeakPolarHBondContact O-CB 3.02Å; L6-Q9 PolarHBondContact O-N 3.42Å; L6-E10 WeakPolarHBondContact O-CB 3.48Å; L6-E10 PolarHBondContact O-N 3.43Å
7L57Low63.3Low89 Ų89115.1 Ų115.147%0.46658%0.583SS.*Hα-helixtrans-66.3-37.7179.7-159.791000112.7L3 K4 K11L3-L7 PolarHBondContact O-N 3.4Å; K4-L7 PolarHBondContact O-N 3.29Å; L7-K11 VanDerWaalsContact O-CG 3.29Å; L7-K11 WeakPolarHBondContact O-CG 3.39Å; L7-K11 PolarHBondContact O-N 3.34Å
8E59.9Low64.1Low97 Ų97114.3 Ų114.345%0.45359%0.585SS.*Hα-helixtrans-72.8-32.2174.4-66-54.4130.400112.2K4 V5 L6 K11 T12K4-E8 WeakPolarHBondContact O-CG 3.27Å; K4-E8 PolarHBondContact O-N 3.37Å; V5-E8 PolarHBondContact O-N 3.18Å; L6-E8 PolarHBondContact O-N 2.85Å; E8-K11 IonicContact OE1-NZ 2.68Å; E8-K11 PolarHBondContact OE1-NZ 3.04Å; E8-K11 IonicContact OE2-NZ 2.77Å; E8-T12 PolarHBondContact O-N 2.91Å; E8-T12 PolarHBondContact O-OG1 3.22Å
9Q57.4Low64.6Low120 Ų120113 Ų11356%0.56158%0.579SS**Hα-helixtrans-65.4-42.8171.3-172-173.6-0.300111.5V5 L6 T12 F13V5-Q9 WeakPolarHBondContact O-CB 3.46Å; V5-Q9 PolarHBondContact O-N 3.16Å; L6-Q9 WeakPolarHBondContact O-CB 3.02Å; L6-Q9 PolarHBondContact O-N 3.42Å; Q9-T12 WeakPolarHBondContact CA-OG1 3.5Å; Q9-T12 PolarHBondContact O-N 3.22Å; Q9-T12 PolarHBondContact O-OG1 2.79Å; Q9-T12 VanDerWaalsContact O-OG1 3.09Å; Q9-F13 WeakPolarHBondContact O-CB 3.43Å; Q9-F13 PolarHBondContact O-N 3.11Å
10E64.1Low64.9Low113 Ų113112.1 Ų112.153%0.52858%0.575SS.*Hα-helixtrans-62.6-46.3176.2-174.5-179.3177.400111.2L6 F13 F14L6-E10 WeakPolarHBondContact O-CB 3.48Å; L6-E10 PolarHBondContact O-N 3.43Å; E10-F13 PolarHBondContact O-N 3.48Å; E10-F14 HydrophobicContact CG-CD2 4.12Å; E10-F14 HydrophobicContact CG-CE2 4.33Å; E10-F14 PolarHBondContact O-N 2.95Å
11K70.2Confident65.2Low95 Ų95108.3 Ų108.341%0.41356%0.564SS.*Hα-helixtrans-60.3-46.2174.3-72171.1-170.7174.10112.8L7 E8 F13 F14 I15L7-K11 VanDerWaalsContact O-CG 3.29Å; L7-K11 WeakPolarHBondContact O-CG 3.39Å; L7-K11 PolarHBondContact O-N 3.34Å; E8-K11 IonicContact OE1-NZ 2.68Å; E8-K11 PolarHBondContact OE1-NZ 3.04Å; E8-K11 IonicContact OE2-NZ 2.77Å; K11-F13 VanDerWaalsContact C-N 3.31Å; K11-F13 PolarHBondContact O-N 2.75Å; K11-F14 PolarHBondContact O-N 3.14Å; K11-I15 WeakPolarHBondContact O-CB 3.47Å; K11-I15 WeakPolarHBondContact O-CD1 3.48Å; K11-I15 VanDerWaalsContact O-CG1 3.23Å; K11-I15 WeakPolarHBondContact O-CG1 3.31Å; K11-I15 PolarHBondContact O-N 2.83Å
12T72.6Confident65.8Low84 Ų84105.2 Ų105.252%0.51554%0.541SS..Hα-helixtrans-66.2-35178.739.80000111.7E8 Q9 I15 L16E8-T12 PolarHBondContact O-N 2.91Å; E8-T12 PolarHBondContact O-OG1 3.22Å; Q9-T12 WeakPolarHBondContact CA-OG1 3.5Å; Q9-T12 PolarHBondContact O-N 3.22Å; Q9-T12 PolarHBondContact O-OG1 2.79Å; Q9-T12 VanDerWaalsContact O-OG1 3.09Å; T12-I15 PolarHBondContact O-N 2.76Å; T12-L16 VanDerWaalsContact O-CB 3.24Å; T12-L16 WeakPolarHBondContact O-CB 3.07Å; T12-L16 PolarHBondContact O-N 2.8Å
13F71.4Confident66.3Low125 Ų125106.4 Ų106.455%0.54854%0.536SS..Hα-helixtrans-66.6-43.3172.4-168.8-106.7000112.3Q9 E10 K11 L16 L17Q9-F13 WeakPolarHBondContact O-CB 3.43Å; Q9-F13 PolarHBondContact O-N 3.11Å; E10-F13 PolarHBondContact O-N 3.48Å; K11-F13 VanDerWaalsContact C-N 3.31Å; K11-F13 PolarHBondContact O-N 2.75Å; F13-L16 PolarHBondContact O-N 2.72Å; F13-L17 HydrophobicContact CD1-CD1 3.8Å; F13-L17 HydrophobicContact CD1-CG 4.35Å; F13-L17 HydrophobicContact CE1-CD1 3.51Å; F13-L17 HydrophobicContact CE1-CG 4.14Å; F13-L17 HydrophobicContact CZ-CD1 4.19Å; F13-L17 HydrophobicContact CZ-CG 4.41Å; F13-L17 WeakPolarHBondContact O-CB 3.05Å; F13-L17 WeakPolarHBondContact O-CG 3.35Å; F13-L17 PolarHBondContact O-N 3.48Å
14F72.1Confident66.6Low126 Ų126102.4 Ų102.455%0.55352%0.521SS*.Hα-helixtrans-62.3-43.8173-99.5-81.3000112.6E10 K11 L16 L17 V18E10-F14 HydrophobicContact CG-CD2 4.12Å; E10-F14 HydrophobicContact CG-CE2 4.33Å; E10-F14 PolarHBondContact O-N 2.95Å; K11-F14 PolarHBondContact O-N 3.14Å; F14-L16 VanDerWaalsContact C-N 3.32Å; F14-L16 PolarHBondContact O-N 2.83Å; F14-L17 PolarHBondContact O-N 2.78Å; F14-V18 WeakPolarHBondContact O-CB 3.18Å; F14-V18 VanDerWaalsContact O-CG2 3.31Å; F14-V18 WeakPolarHBondContact O-CG2 3.26Å; F14-V18 PolarHBondContact O-N 2.91Å
15I79.1Confident66.8Low101 Ų10198.4 Ų98.452%0.51851%0.513SS..Hα-helixtrans-62.5-41.6175.7-71.5164.2000110.4K11 T12 V18 L19K11-I15 WeakPolarHBondContact O-CB 3.47Å; K11-I15 WeakPolarHBondContact O-CD1 3.48Å; K11-I15 VanDerWaalsContact O-CG1 3.23Å; K11-I15 WeakPolarHBondContact O-CG1 3.31Å; K11-I15 PolarHBondContact O-N 2.83Å; T12-I15 PolarHBondContact O-N 2.76Å; I15-V18 PolarHBondContact O-N 2.04Å; I15-L19 HydrophobicContact CG2-CD1 3.88Å; I15-L19 WeakPolarHBondContact O-CB 3.49Å; I15-L19 PolarHBondContact O-N 2.03Å
16L75.8Confident66.8Low96 Ų96100.1 Ų100.150%0.50351%0.513SS..Hα-helixtrans-64.4-42.3175.8-167.775.8000111.6T12 F13 F14 L19 L20T12-L16 VanDerWaalsContact O-CB 3.24Å; T12-L16 WeakPolarHBondContact O-CB 3.07Å; T12-L16 PolarHBondContact O-N 2.8Å; F13-L16 PolarHBondContact O-N 2.72Å; F14-L16 VanDerWaalsContact C-N 3.32Å; F14-L16 PolarHBondContact O-N 2.83Å; L16-L19 PolarHBondContact O-N 3.25Å; L16-L20 HydrophobicContact CD1-CD1 4.19Å; L16-L20 HydrophobicContact CG-CD1 3.84Å; L16-L20 WeakPolarHBondContact O-CB 3.28Å; L16-L20 VanDerWaalsContact O-CD1 3.24Å; L16-L20 WeakPolarHBondContact O-CD1 3.31Å; L16-L20 PolarHBondContact O-N 3.03Å
17L75.2Confident66.5Low89 Ų89101.1 Ų101.147%0.46652%0.523SS..Hα-helixtrans-65.4-39.5174.8-76.2176.1000112.6F13 F14 G21F13-L17 HydrophobicContact CD1-CD1 3.8Å; F13-L17 HydrophobicContact CD1-CG 4.35Å; F13-L17 HydrophobicContact CE1-CD1 3.51Å; F13-L17 HydrophobicContact CE1-CG 4.14Å; F13-L17 HydrophobicContact CZ-CD1 4.19Å; F13-L17 HydrophobicContact CZ-CG 4.41Å; F13-L17 WeakPolarHBondContact O-CB 3.05Å; F13-L17 WeakPolarHBondContact O-CG 3.35Å; F13-L17 PolarHBondContact O-N 3.48Å; F14-L17 PolarHBondContact O-N 2.78Å; L17-G21 PolarHBondContact O-N 2.98Å
18V77.5Confident65.9Low101 Ų101101.5 Ų101.561%0.61253%0.529SS*.Hα-helixtrans-68.2-37.9174.7170.80000111F14 I15 G21 Y22F14-V18 WeakPolarHBondContact O-CB 3.18Å; F14-V18 VanDerWaalsContact O-CG2 3.31Å; F14-V18 WeakPolarHBondContact O-CG2 3.26Å; F14-V18 PolarHBondContact O-N 2.91Å; I15-V18 PolarHBondContact O-N 2.04Å; V18-G21 PolarHBondContact O-N 2.86Å; V18-Y22 VanDerWaalsContact O-CB 3.25Å; V18-Y22 WeakPolarHBondContact O-CB 3.07Å; V18-Y22 PolarHBondContact O-N 2.84Å
19L73.8Confident65.3Low90 Ų90100.7 Ų100.747%0.47153%0.533SS..Hα-helixtrans-66.9-44.4173-88.2158.3000112.3I15 L16 G21 Y22 L23I15-L19 HydrophobicContact CG2-CD1 3.88Å; I15-L19 WeakPolarHBondContact O-CB 3.49Å; I15-L19 PolarHBondContact O-N 2.03Å; L16-L19 PolarHBondContact O-N 3.25Å; L19-G21 VanDerWaalsContact C-N 3.33Å; L19-Y22 PolarHBondContact O-N 2.71Å; L19-L23 VanDerWaalsContact O-CB 3.27Å; L19-L23 WeakPolarHBondContact O-CB 2.93Å; L19-L23 WeakPolarHBondContact O-CD1 3.26Å; L19-L23 VanDerWaalsContact O-CG 3.3Å; L19-L23 WeakPolarHBondContact O-CG 2.96Å; L19-L23 PolarHBondContact O-N 2.88Å
20L70.3Confident65Low95 Ų95104 Ų10450%0.49755%0.549SS..Hα-helixtrans-63.5-39.3173.3-9893.8000111.3L16 S24L16-L20 HydrophobicContact CD1-CD1 4.19Å; L16-L20 HydrophobicContact CG-CD1 3.84Å; L16-L20 WeakPolarHBondContact O-CB 3.28Å; L16-L20 VanDerWaalsContact O-CD1 3.24Å; L16-L20 WeakPolarHBondContact O-CD1 3.31Å; L16-L20 PolarHBondContact O-N 3.03Å; L20-S24 WeakPolarHBondContact O-CB 3.23Å; L20-S24 PolarHBondContact O-N 3.1Å; L20-S24 PolarHBondContact O-OG 3.34Å
21G71.4Confident64.6Low33 Ų33102.1 Ų102.134%0.3455%0.545SS..Hα-helixtrans-62.8-47.2174.600000111.7L17 V18 L19 S24 C25L17-G21 PolarHBondContact O-N 2.98Å; V18-G21 PolarHBondContact O-N 2.86Å; L19-G21 VanDerWaalsContact C-N 3.33Å; G21-S24 PolarHBondContact O-N 3.16Å; G21-C25 WeakPolarHBondContact O-CB 3.26Å; G21-C25 PolarHBondContact O-N 3.2Å; G21-C25 PolarHBondContact O-SG 2.82Å
22Y68.6Low64.3Low153 Ų15399.8 Ų99.860%0.655%0.548SS*.Hα-helixtrans-65.6-41.5176.8-178.4-100.5000112.9V18 L19 S24 C25 K26V18-Y22 VanDerWaalsContact O-CB 3.25Å; V18-Y22 WeakPolarHBondContact O-CB 3.07Å; V18-Y22 PolarHBondContact O-N 2.84Å; L19-Y22 PolarHBondContact O-N 2.71Å; Y22-S24 VanDerWaalsContact C-N 3.35Å; Y22-C25 PolarHBondContact O-N 2.71Å; Y22-K26 WeakPolarHBondContact O-CB 3.36Å; Y22-K26 PolarHBondContact O-N 3.04Å
23L61.3Low64.8Low101 Ų101102.9 Ų102.953%0.52956%0.561SS.*Hα-helixtrans-64.2-40.6172.7-78.3161.1000111.1L19 K26 V27L19-L23 VanDerWaalsContact O-CB 3.27Å; L19-L23 WeakPolarHBondContact O-CB 2.93Å; L19-L23 WeakPolarHBondContact O-CD1 3.26Å; L19-L23 VanDerWaalsContact O-CG 3.3Å; L19-L23 WeakPolarHBondContact O-CG 2.96Å; L19-L23 PolarHBondContact O-N 2.88Å; L23-K26 PolarHBondContact O-N 2.95Å; L23-V27 WeakPolarHBondContact O-CG2 3.46Å; L23-V27 PolarHBondContact O-N 3.17Å
24S58.7Low65.7Low65 Ų6597.1 Ų97.146%0.45554%0.536SS..Hα-helixtrans-64.5-45175.1-59.50000111L20 G21 Y22 K26 V27 T28L20-S24 WeakPolarHBondContact O-CB 3.23Å; L20-S24 PolarHBondContact O-N 3.1Å; L20-S24 PolarHBondContact O-OG 3.34Å; G21-S24 PolarHBondContact O-N 3.16Å; Y22-S24 VanDerWaalsContact C-N 3.35Å; S24-K26 PolarHBondContact O-N 2.76Å; S24-V27 PolarHBondContact O-N 3.32Å; S24-V27 VanDerWaalsContact O-N 3.15Å; S24-T28 PolarHBondContact O-N 2.83Å; S24-T28 PolarHBondContact O-OG1 3.41Å; S24-T28 VanDerWaalsContact O-OG1 3.04Å
25C56.4Low66.5Low87 Ų8799.7 Ų99.759%0.58854%0.542SS*.Hα-helixtrans-62.2-25.1173.1-70.70000113.5G21 Y22 T28 C29G21-C25 WeakPolarHBondContact O-CB 3.26Å; G21-C25 PolarHBondContact O-N 3.2Å; G21-C25 PolarHBondContact O-SG 2.82Å; Y22-C25 PolarHBondContact O-N 2.71Å; C25-T28 WeakPolarHBondContact CA-OG1 3.24Å; C25-T28 CarbonylContact O-C 3.41Å; C25-T28 VanDerWaalsContact O-O 3.12Å; C25-C29 PolarHBondContact O-N 2.04Å
26K55.2Low67.1Low135 Ų135101.1 Ų101.159%0.58755%0.547SS*.Hα-helixtrans-86.8-22.6175.9-164.6169.4-175.6171.80113.3Y22 L23 S24 C29Y22-K26 WeakPolarHBondContact O-CB 3.36Å; Y22-K26 PolarHBondContact O-N 3.04Å; L23-K26 PolarHBondContact O-N 2.95Å; S24-K26 PolarHBondContact O-N 2.76Å; K26-C29 PolarHBondContact O-SG 2.93Å; K26-C29 VanDerWaalsContact O-SG 3.39Å
27V49.3Very low67.8Low128 Ų128101.7 Ų101.778%0.77655%0.547SS*.Hα-helixtrans-83.5-38.4169.6171.50000110.4L23 S24 C29L23-V27 WeakPolarHBondContact O-CG2 3.46Å; L23-V27 PolarHBondContact O-N 3.17Å; S24-V27 PolarHBondContact O-N 3.32Å; S24-V27 VanDerWaalsContact O-N 3.15Å; V27-C29 PolarHBondContact O-N 2.87Å
28T44.3Very low68.7Low98 Ų9899.5 Ų99.560%0.60153%0.534SS*.SBendtrans-84.748.6161.672.80000110.4S24 C25 E30S24-T28 PolarHBondContact O-N 2.83Å; S24-T28 PolarHBondContact O-OG1 3.41Å; S24-T28 VanDerWaalsContact O-OG1 3.04Å; C25-T28 WeakPolarHBondContact CA-OG1 3.24Å; C25-T28 CarbonylContact O-C 3.41Å; C25-T28 VanDerWaalsContact O-O 3.12Å; T28-E30 PolarHBondContact O-N 3.33Å; T28-E30 VanDerWaalsContact O-N 3.13Å
29C46.6Very low69.4Low80 Ų8095.7 Ų95.754%0.54151%0.51SS..  trans-53.1124.1149.8-840000106.2C25 K26 V27 T31C25-C29 PolarHBondContact O-N 2.04Å; K26-C29 PolarHBondContact O-SG 2.93Å; K26-C29 VanDerWaalsContact O-SG 3.39Å; V27-C29 PolarHBondContact O-N 2.87Å; C29-T31 PolarHBondContact O-N 2.85Å
30E51Low70.3Confident190 Ų19095.2 Ų95.289%0.88850%0.502SS*.  trans-55.589.7159.2-69.4176.1116.200107.4T28 G32T28-E30 PolarHBondContact O-N 3.33Å; T28-E30 VanDerWaalsContact O-N 3.13Å; E30-G32 PolarHBondContact O-N 3.41Å
31T56.2Low71.3Confident72 Ų7292.4 Ų92.444%0.44249%0.487SS..  trans-7772.8145.740.80000105.3C29 R40C29-T31 PolarHBondContact O-N 2.85Å; T31-R40 PolarHBondContact O-NH2 3.31Å; T31-R40 PolarHBondContact OG1-NH1 2.85Å
32G63.8Low72.2Confident46 Ų46101.2 Ų101.247%0.47451%0.51SS..PPolyproline II helixtrans-48.9146.1176.900000109.3E30 C34E30-G32 PolarHBondContact O-N 3.41Å; G32-C34 PolarHBondContact O-N 2.98Å; G32-C34 VanDerWaalsContact O-N 3.11Å
33D82.7Confident73.2Confident150 Ų15098.5 Ų98.580%0.80251%0.514SS*.PPolyproline II helixtrans-50.9124.3-171.5-79.7-38000110.7
34C89.7Confident74.4Confident3 Ų394.9 Ų94.92%0.0250%0.5CS..PPolyproline II helixtrans-58.1147.6175.4-59.80000108.7G32 E38 C46 F64G32-C34 PolarHBondContact O-N 2.98Å; G32-C34 VanDerWaalsContact O-N 3.11Å; C34-E38 HydrophobicContact CB-CB 3.92Å; C34-C46 WeakPolarHBondContact CA-SG 3.44Å; C34-C46 HydrophobicContact CB-CB 3.67Å; C34-C46 WeakPolarHBondContact CB-SG 3.32Å; C34-C46 VanDerWaalsContact SG-CA 3.56Å; C34-C46 WeakPolarHBondContact SG-CB 3.44Å; C34-C46 CovalentContact SG-SG 2.04Å; C34-C46 PolarHBondContact SG-SG 2.82Å; C34-F64 WeakPolarHBondContact O-CA 3.01Å
35R90.1Very high76Confident180 Ų18096.2 Ų96.268%0.67950%0.502SS*.PPolyproline II helixtrans-66.1168.4-174.6-60.1178.9179.9163.6-4.9111.5Q37 E38 F64R35-Q37 PolarHBondContact O-N 2.87Å; R35-E38 HydrophobicContact CB-CB 4.45Å; R35-E38 HydrophobicContact CB-CG 4.16Å; R35-E38 WeakPolarHBondContact CB-OE2 3.34Å; R35-E38 WeakPolarHBondContact CD-OE1 3.12Å; R35-E38 WeakPolarHBondContact CG-OE2 3.46Å; R35-E38 PolarHBondContact N-OE2 2.86Å; R35-E38 IonicContact NH1-OE1 3.65Å; R35-E38 PolarHBondContact O-N 3.43Å; R35-F64 PolarHBondContact O-N 3.06Å
36Q90.8Very high77.7Confident132 Ų13294.6 Ų94.662%0.61749%0.491SS*.THydrogen-bonded Turntrans-54.6-22.7179.8180166.315.300114.6G63 F64Q36-G63 WeakPolarHBondContact O-CA 3.23Å; Q36-F64 HydrophobicContact CB-CE1 3.83Å; Q36-F64 HydrophobicContact CB-CE2 3.96Å; Q36-F64 HydrophobicContact CB-CZ 3.51Å; Q36-F64 HydrophobicContact CG-CE1 4.37Å; Q36-F64 HydrophobicContact CG-CE2 3.62Å; Q36-F64 HydrophobicContact CG-CZ 3.54Å
37Q91.6Very high79.5Confident108 Ų10890.4 Ų90.451%0.50548%0.477SS..THydrogen-bonded Turntrans-115.725178.5-62.2175.412.400112.1R35 C49 F86R35-Q37 PolarHBondContact O-N 2.87Å; Q37-C49 WeakPolarHBondContact O-CB 3.34Å; Q37-C49 PolarHBondContact O-N 3.33Å; Q37-C49 PolarHBondContact O-SG 2.99Å; Q37-C49 VanDerWaalsContact O-SG 3.39Å; Q37-F86 HydrophobicContact CB-CZ 4.44Å; Q37-F86 HydrophobicContact CG-CE2 4.39Å; Q37-F86 VanDerWaalsContact OE1-CE2 3.25Å
38E93.1Very high81.6Confident42 Ų4288.7 Ų88.720%0.19647%0.468CS..EExtended strand (participates in β ladder)trans-127.4136.1178.2-68163.5-173.300110.4C34 R35 C46 V47 G63 F64 G65C34-E38 HydrophobicContact CB-CB 3.92Å; R35-E38 HydrophobicContact CB-CB 4.45Å; R35-E38 HydrophobicContact CB-CG 4.16Å; R35-E38 WeakPolarHBondContact CB-OE2 3.34Å; R35-E38 WeakPolarHBondContact CD-OE1 3.12Å; R35-E38 WeakPolarHBondContact CG-OE2 3.46Å; R35-E38 PolarHBondContact N-OE2 2.86Å; R35-E38 IonicContact NH1-OE1 3.65Å; R35-E38 PolarHBondContact O-N 3.43Å; E38-C46 HydrophobicContact CB-CB 4.25Å; E38-V47 CarbonylContact C-O 3.48Å; E38-V47 WeakPolarHBondContact CA-O 3.26Å; E38-G63 CarbonylContact O-C 3.55Å; E38-G63 VanDerWaalsContact O-C 3.27Å; E38-G63 WeakPolarHBondContact O-CA 3.3Å; E38-F64 PolarHBondContact O-N 3.21Å; E38-F64 VanDerWaalsContact O-N 3.12Å; E38-G65 PolarHBondContact O-N 3.27Å
39F92.7Very high83.9Confident22 Ų2284.4 Ų84.410%0.09644%0.443CS..EExtended strand (participates in β ladder)trans-102.1167.3168.569-92.8000110.3D41 C46 V47 P48 Y66 E68F39-D41 HydrophobicContact CE2-CB 4.41Å; F39-C46 CarbonylContact O-C 3.19Å; F39-C46 WeakPolarHBondContact O-CA 3.43Å; F39-V47 HydrophobicContact CD1-CB 4.43Å; F39-V47 WeakPolarHBondContact CD1-O 3.27Å; F39-V47 HydrophobicContact CD2-CB 4.38Å; F39-V47 HydrophobicContact CE1-CB 3.96Å; F39-V47 HydrophobicContact CE1-CG1 3.77Å; F39-V47 HydrophobicContact CE2-CB 3.88Å; F39-V47 HydrophobicContact CE2-CG1 4.19Å; F39-V47 HydrophobicContact CE2-CG2 4.46Å; F39-V47 HydrophobicContact CZ-CB 3.67Å; F39-V47 HydrophobicContact CZ-CG1 3.5Å; F39-V47 PolarHBondContact N-O 2.01Å; F39-V47 PolarHBondContact O-N 2.88Å; F39-P48 WeakPolarHBondContact CE1-O 3.45Å; F39-Y66 WeakPolarHBondContact CB-O 3.31Å; F39-E68 HydrophobicContact CD2-CB 3.82Å; F39-E68 HydrophobicContact CD2-CG 4.22Å; F39-E68 HydrophobicContact CE2-CB 4.04Å; F39-E68 HydrophobicContact CE2-CG 3.94Å
40R92.3Very high86Confident80 Ų8084.8 Ų84.830%0.30244%0.439SS..EExtended strand (participates in β ladder)trans-100.7124.1176.3-172.3178.7-69.8-124.61110.1T31 N45 G65T31-R40 PolarHBondContact O-NH2 3.31Å; T31-R40 PolarHBondContact OG1-NH1 2.85Å; R40-N45 CarbonylContact C-O 3.59Å; R40-N45 WeakPolarHBondContact CA-O 3.37Å; R40-G65 WeakPolarHBondContact CB-O 3.07Å; R40-G65 PolarHBondContact N-O 3.5Å
41D91.3Very high88.1Confident36 Ų3680.8 Ų80.819%0.19342%0.421CS..PPolyproline II helixtrans-75.9167.717577.23000112F39 S43 G44 N45 V47F39-D41 HydrophobicContact CE2-CB 4.41Å; D41-S43 PolarHBondContact O-N 2.99Å; D41-S43 VanDerWaalsContact OD1-C 3.26Å; D41-S43 VanDerWaalsContact OD1-CA 3.23Å; D41-S43 WeakPolarHBondContact OD1-CA 3.04Å; D41-S43 WeakPolarHBondContact OD1-CB 3.42Å; D41-S43 PolarHBondContact OD1-N 2.74Å; D41-S43 PolarHBondContact OD2-OG 2.03Å; D41-G44 PolarHBondContact O-N 2.76Å; D41-G44 PolarHBondContact OD1-N 3.25Å; D41-N45 PolarHBondContact N-O 2.84Å; D41-N45 PolarHBondContact OD1-N 3.49Å; D41-N45 PolarHBondContact OD2-ND2 2.78Å; D41-V47 HydrophobicContact CB-CG2 4Å
42R89.7Confident89.9Confident218 Ų21877.4 Ų77.482%0.82340%0.4SS*.THydrogen-bonded Turntrans-53.8-20170.8-80147.7-163.4-113.41.9115.3E68R42-E68 VanDerWaalsContact CD-OE1 3.27Å; R42-E68 WeakPolarHBondContact CD-OE1 3.04Å; R42-E68 WeakPolarHBondContact CG-OE1 3.3Å; R42-E68 IonicContact CZ-OE2 3.35Å; R42-E68 PolarHBondContact N-OE1 3.49Å; R42-E68 IonicContact NE-OE1 3.59Å; R42-E68 PolarHBondContact NE-OE1 3.4Å; R42-E68 IonicContact NE-OE2 3.95Å; R42-E68 PolarHBondContact NE-OE2 2.89Å; R42-E68 IonicContact NH2-OE2 2.6Å
43S89.7Confident91.4Very high96 Ų9675.6 Ų75.667%0.67138%0.381SS*.THydrogen-bonded Turntrans-88.1-9.1178.4-41.30000112.2D41 N45D41-S43 PolarHBondContact O-N 2.99Å; D41-S43 VanDerWaalsContact OD1-C 3.26Å; D41-S43 VanDerWaalsContact OD1-CA 3.23Å; D41-S43 WeakPolarHBondContact OD1-CA 3.04Å; D41-S43 WeakPolarHBondContact OD1-CB 3.42Å; D41-S43 PolarHBondContact OD1-N 2.74Å; D41-S43 PolarHBondContact OD2-OG 2.03Å; S43-N45 WeakPolarHBondContact CB-ND2 3.35Å
44G87.4Confident92.1Very high24 Ų2471 Ų7125%0.24736%0.359CS..SBendtrans90.34.9-17700000115D41D41-G44 PolarHBondContact O-N 2.76Å; D41-G44 PolarHBondContact OD1-N 3.25Å
45N91.3Very high92.4Very high93 Ų9371.1 Ų71.150%0.49736%0.361SS..  trans-82.7148.5178.5-52.2-59.7000111.4R40 D41 S43 V47R40-N45 CarbonylContact C-O 3.59Å; R40-N45 WeakPolarHBondContact CA-O 3.37Å; D41-N45 PolarHBondContact N-O 2.84Å; D41-N45 PolarHBondContact OD1-N 3.49Å; D41-N45 PolarHBondContact OD2-ND2 2.78Å; S43-N45 WeakPolarHBondContact CB-ND2 3.35Å; N45-V47 HydrophobicContact CB-CG2 4.47Å
46C92.5Very high92.7Very high53 Ų5365.7 Ų65.736%0.35834%0.344SS..EExtended strand (participates in β ladder)trans-83.2121.5168-57.80000110.1C34 E38 F39C34-C46 WeakPolarHBondContact CA-SG 3.44Å; C34-C46 HydrophobicContact CB-CB 3.67Å; C34-C46 WeakPolarHBondContact CB-SG 3.32Å; C34-C46 VanDerWaalsContact SG-CA 3.56Å; C34-C46 WeakPolarHBondContact SG-CB 3.44Å; C34-C46 CovalentContact SG-SG 2.04Å; C34-C46 PolarHBondContact SG-SG 2.82Å; E38-C46 HydrophobicContact CB-CB 4.25Å; F39-C46 CarbonylContact O-C 3.19Å; F39-C46 WeakPolarHBondContact O-CA 3.43Å
47V93.2Very high92.9Very high47 Ų4760.3 Ų60.329%0.28532%0.319SS..EExtended strand (participates in β ladder)trans-121.1136.7-175.5179.30000108.7E38 F39 D41 N45E38-V47 CarbonylContact C-O 3.48Å; E38-V47 WeakPolarHBondContact CA-O 3.26Å; F39-V47 HydrophobicContact CD1-CB 4.43Å; F39-V47 WeakPolarHBondContact CD1-O 3.27Å; F39-V47 HydrophobicContact CD2-CB 4.38Å; F39-V47 HydrophobicContact CE1-CB 3.96Å; F39-V47 HydrophobicContact CE1-CG1 3.77Å; F39-V47 HydrophobicContact CE2-CB 3.88Å; F39-V47 HydrophobicContact CE2-CG1 4.19Å; F39-V47 HydrophobicContact CE2-CG2 4.46Å; F39-V47 HydrophobicContact CZ-CB 3.67Å; F39-V47 HydrophobicContact CZ-CG1 3.5Å; F39-V47 PolarHBondContact N-O 2.01Å; F39-V47 PolarHBondContact O-N 2.88Å; D41-V47 HydrophobicContact CB-CG2 4Å; N45-V47 HydrophobicContact CB-CG2 4.47Å
48P93.3Very high93.1Very high92 Ų9256.2 Ų56.260%0.59730%0.3SS*.EExtended strand (participates in β ladder)trans-62.8141.2-179.326-35.8000112.1F39F39-P48 WeakPolarHBondContact CE1-O 3.45Å
49C92.8Very high93.1Very high9 Ų956.9 Ų56.96%0.06131%0.31CS..PPolyproline II helixtrans-62.1150.6175.4-70.60000112.5Q37 C62 F86Q37-C49 WeakPolarHBondContact O-CB 3.34Å; Q37-C49 PolarHBondContact O-N 3.33Å; Q37-C49 PolarHBondContact O-SG 2.99Å; Q37-C49 VanDerWaalsContact O-SG 3.39Å; C49-C62 VanDerWaalsContact CA-SG 3.52Å; C49-C62 HydrophobicContact CB-CB 3.8Å; C49-C62 WeakPolarHBondContact CB-SG 3.45Å; C49-C62 WeakPolarHBondContact SG-CB 3.04Å; C49-C62 CovalentContact SG-SG 2.03Å; C49-C62 PolarHBondContact SG-SG 3.05Å; C49-F86 HydrophobicContact CB-CD1 4.03Å; C49-F86 HydrophobicContact CB-CE1 3.7Å; C49-F86 WeakPolarHBondContact O-CE1 3.49Å
50N91.6Very high93Very high87 Ų8760.7 Ų60.747%0.46533%0.326SS..PPolyproline II helixtrans-71.5139.3172.8-69.2-42.9000110.9L58 A70N50-L58 HydrophobicContact CB-CD2 4.05Å; N50-A70 PolarHBondContact ND2-O 2.8Å
51Q93.3Very high93Very high107 Ų10762.7 Ų62.750%0.534%0.339SS..PPolyproline II helixtrans-99.1127.1170.2-69.1-178.663.300109.4F86Q51-F86 HydrophobicContact CG-CD1 3.78Å; Q51-F86 HydrophobicContact CG-CD2 4.14Å; Q51-F86 HydrophobicContact CG-CE1 3.33Å; Q51-F86 HydrophobicContact CG-CE2 3.72Å; Q51-F86 HydrophobicContact CG-CG 4.17Å; Q51-F86 HydrophobicContact CG-CZ 3.31Å
52C95.1Very high93Very high1 Ų161.8 Ų61.81%0.00734%0.335CS..BIsolated β-bridgetrans-91.7149.7178.2-59.70000111.1M56 C72 K81 W84 G85C52-M56 HydrophobicContact CB-CB 3.83Å; C52-M56 VanDerWaalsContact CB-O 3.27Å; C52-M56 WeakPolarHBondContact CB-O 3.26Å; C52-C72 WeakPolarHBondContact CA-SG 3.44Å; C52-C72 HydrophobicContact CB-CB 3.87Å; C52-C72 WeakPolarHBondContact CB-SG 3.33Å; C52-C72 WeakPolarHBondContact SG-CA 3.46Å; C52-C72 WeakPolarHBondContact SG-CB 3.27Å; C52-C72 CovalentContact SG-SG 2.04Å; C52-C72 PolarHBondContact SG-SG 2.87Å; C52-K81 PolarHBondContact O-NZ 2.9Å; C52-W84 WeakPolarHBondContact O-CA 3.34Å; C52-G85 PolarHBondContact N-O 2.74Å; C52-G85 VanDerWaalsContact N-O 3.16Å; C52-G85 PolarHBondContact O-N 3.22Å
53G96Very high93.2Very high8 Ų851.8 Ų51.88%0.08230%0.3CS..  trans-79.3-171.3177.600000114.3M56 K81 W84G53-M56 PolarHBondContact O-N 2.83Å; G53-K81 PolarHBondContact O-NZ 3.4Å; G53-W84 VanDerWaalsContact CA-CD2 3.47Å
54P96.8Very high93.3Very high53 Ų5353 Ų5334%0.34429%0.294SS..THydrogen-bonded Turntrans-56.9142.4172.8-20.332000110.6M56 K81 E82 T109P54-M56 PolarHBondContact O-N 2.04Å; P54-K81 CarbonylContact C-O 3.27Å; P54-K81 VanDerWaalsContact CA-O 3.24Å; P54-K81 WeakPolarHBondContact CA-O 3.19Å; P54-E82 WeakPolarHBondContact CB-O 3.45Å; P54-E82 VanDerWaalsContact CG-O 3.26Å; P54-E82 WeakPolarHBondContact CG-O 3.18Å; P54-T109 HydrophobicContact CB-CG2 3.99Å
55G96Very high93.5Very high5 Ų552.7 Ų52.75%0.05229%0.29CS..THydrogen-bonded Turntrans69.28-178.500000116.2T74 C75 K81 A108G55-T74 CarbonylContact O-C 3.36Å; G55-T74 WeakPolarHBondContact O-CA 3.46Å; G55-C75 PolarHBondContact O-N 3.5Å; G55-C75 PolarHBondContact O-SG 3.35Å; G55-K81 PolarHBondContact N-O 2.89Å; G55-A108 WeakPolarHBondContact CA-O 3.09Å
56M96.4Very high93.5Very high67 Ų6756.8 Ų56.833%0.3330%0.3SS..EExtended strand (participates in β ladder)trans-131.8135-176.4-60.4-74.3-17500112.1C52 G53 P54 C72 V73 T74 K81C52-M56 HydrophobicContact CB-CB 3.83Å; C52-M56 VanDerWaalsContact CB-O 3.27Å; C52-M56 WeakPolarHBondContact CB-O 3.26Å; G53-M56 PolarHBondContact O-N 2.83Å; P54-M56 PolarHBondContact O-N 2.04Å; M56-C72 HydrophobicContact CB-CB 4.32Å; M56-V73 CarbonylContact C-O 3.5Å; M56-V73 VanDerWaalsContact CA-O 3.26Å; M56-V73 WeakPolarHBondContact CA-O 3.06Å; M56-T74 HydrophobicContact CE-CG2 3.76Å; M56-T74 VanDerWaalsContact SD-CA 3.59Å; M56-T74 HydrophobicContact SD-CG2 3.76Å; M56-T74 PolarHBondContact SD-N 3.42Å; M56-T74 VanDerWaalsContact SD-N 3.43Å; M56-K81 WeakPolarHBondContact O-CD 3.2Å; M56-K81 PolarHBondContact O-NZ 2.78Å
57E95.4Very high93.4Very high18 Ų1854.9 Ų54.98%0.08429%0.289CS..EExtended strand (participates in β ladder)trans-119.5161168.958-174.3177.200111.2C72 V73 R79 C89E57-C72 WeakPolarHBondContact O-CA 3.46Å; E57-V73 HydrophobicContact CG-CG2 4.47Å; E57-V73 PolarHBondContact N-O 2.93Å; E57-V73 WeakPolarHBondContact O-CG2 3.42Å; E57-V73 PolarHBondContact O-N 2.03Å; E57-R79 IonicContact OE2-NH1 2.61Å; E57-R79 PolarHBondContact OE2-NH1 2.89Å; E57-C89 VanDerWaalsContact CB-SG 3.54Å; E57-C89 HydrophobicContact CG-CB 4.45Å; E57-C89 VanDerWaalsContact CG-SG 3.58Å; E57-C89 WeakPolarHBondContact OE2-CB 3.35Å; E57-C89 PolarHBondContact OE2-N 3.03Å
58L94.4Very high93.3Very high22 Ų2256 Ų5612%0.11529%0.291CS..EExtended strand (participates in β ladder)trans-69.4136.8172.2-73.6168.8000110.2N50 K60 C62 A70 Q71N50-L58 HydrophobicContact CB-CD2 4.05Å; L58-K60 VanDerWaalsContact CB-O 3.23Å; L58-K60 WeakPolarHBondContact CB-O 3.42Å; L58-K60 PolarHBondContact O-N 3.32Å; L58-K60 VanDerWaalsContact O-N 3.17Å; L58-C62 HydrophobicContact CD1-CB 3.86Å; L58-A70 HydrophobicContact CD2-CB 3.97Å; L58-Q71 CarbonylContact C-O 3.45Å
59S93.7Very high93.1Very high56 Ų5655.8 Ų55.839%0.39229%0.285SS..SBendtrans-60.9-23177.362.20000113.7Q71S59-Q71 WeakPolarHBondContact CB-O 3.07Å; S59-Q71 PolarHBondContact N-O 3.17Å; S59-Q71 PolarHBondContact OG-N 3.04Å; S59-Q71 PolarHBondContact OG-O 2.84Å
60K91.4Very high93.1Very high103 Ų10355.5 Ų55.545%0.44828%0.283SS..SBendtrans-142.8156.6177-60.4-176.4-171.5175.70109.5L58 D69 A70L58-K60 VanDerWaalsContact CB-O 3.23Å; L58-K60 WeakPolarHBondContact CB-O 3.42Å; L58-K60 PolarHBondContact O-N 3.32Å; L58-K60 VanDerWaalsContact O-N 3.17Å; K60-D69 WeakPolarHBondContact CD-OD1 3.44Å; K60-D69 WeakPolarHBondContact CE-OD1 3.45Å; K60-D69 IonicContact NZ-OD1 2.89Å; K60-D69 PolarHBondContact NZ-OD1 3.16Å; K60-D69 IonicContact NZ-OD2 3.51Å; K60-D69 PolarHBondContact NZ-OD2 3.45Å; K60-A70 HydrophobicContact CB-CB 4.41Å
61E90.8Very high93.3Very high122 Ų12257.9 Ų57.957%0.5729%0.292SS*.  trans-59.8141.3168.7-159.677.5-10300110K88E61-K88 WeakPolarHBondContact OE1-CE 3.44Å; E61-K88 IonicContact OE1-NZ 3.71Å; E61-K88 WeakPolarHBondContact OE2-CE 3.34Å; E61-K88 IonicContact OE2-NZ 3.82Å; E61-K88 PolarHBondContact OE2-NZ 3.5Å
62C92.7Very high93.4Very high17 Ų1755.6 Ų55.612%0.11529%0.287CS..  trans-126.8131.5176.3-174.90000110.1C49 L58 Y66 A70C49-C62 VanDerWaalsContact CA-SG 3.52Å; C49-C62 HydrophobicContact CB-CB 3.8Å; C49-C62 WeakPolarHBondContact CB-SG 3.45Å; C49-C62 WeakPolarHBondContact SG-CB 3.04Å; C49-C62 CovalentContact SG-SG 2.03Å; C49-C62 PolarHBondContact SG-SG 3.05Å; L58-C62 HydrophobicContact CD1-CB 3.86Å; C62-Y66 CarbonylContact C-O 3.49Å; C62-Y66 WeakPolarHBondContact CA-O 3.48Å; C62-A70 HydrophobicContact CB-CB 4.42Å
63G92.9Very high93.4Very high8 Ų858.4 Ų58.48%0.08230%0.304CS..BIsolated β-bridgetrans147.4161.1-177.500000113.1Q36 E38 G65 Y66Q36-G63 WeakPolarHBondContact O-CA 3.23Å; E38-G63 CarbonylContact O-C 3.55Å; E38-G63 VanDerWaalsContact O-C 3.27Å; E38-G63 WeakPolarHBondContact O-CA 3.3Å; G63-G65 PolarHBondContact O-N 3.49Å; G63-G65 VanDerWaalsContact O-N 3.13Å; G63-Y66 PolarHBondContact N-O 2.81Å; G63-Y66 PolarHBondContact O-N 3.16Å
64F92.4Very high93.4Very high122 Ų12262.5 Ų62.554%0.53533%0.327SS..THydrogen-bonded Turntrans53.333177.9-54.8-76.5000113.9C34 R35 Q36 E38 Y66C34-F64 WeakPolarHBondContact O-CA 3.01Å; R35-F64 PolarHBondContact O-N 3.06Å; Q36-F64 HydrophobicContact CB-CE1 3.83Å; Q36-F64 HydrophobicContact CB-CE2 3.96Å; Q36-F64 HydrophobicContact CB-CZ 3.51Å; Q36-F64 HydrophobicContact CG-CE1 4.37Å; Q36-F64 HydrophobicContact CG-CE2 3.62Å; Q36-F64 HydrophobicContact CG-CZ 3.54Å; E38-F64 PolarHBondContact O-N 3.21Å; E38-F64 VanDerWaalsContact O-N 3.12Å; F64-Y66 WeakPolarHBondContact O-CD2 3.06Å; F64-Y66 WeakPolarHBondContact O-CE2 3.35Å
65G91.8Very high93.4Very high16 Ų1660.6 Ų60.617%0.16532%0.315CS..BIsolated β-bridgetrans91-6.9-179.100000114.9E38 R40 G63E38-G65 PolarHBondContact O-N 3.27Å; R40-G65 WeakPolarHBondContact CB-O 3.07Å; R40-G65 PolarHBondContact N-O 3.5Å; G63-G65 PolarHBondContact O-N 3.49Å; G63-G65 VanDerWaalsContact O-N 3.13Å
66Y90.7Very high93.3Very high180 Ų18069.6 Ų69.671%0.70635%0.347SS*.BIsolated β-bridgetrans-100.3149.2177.9-57.8-87.1000111.4F39 C62 G63 F64F39-Y66 WeakPolarHBondContact CB-O 3.31Å; C62-Y66 CarbonylContact C-O 3.49Å; C62-Y66 WeakPolarHBondContact CA-O 3.48Å; G63-Y66 PolarHBondContact N-O 2.81Å; G63-Y66 PolarHBondContact O-N 3.16Å; F64-Y66 WeakPolarHBondContact O-CD2 3.06Å; F64-Y66 WeakPolarHBondContact O-CE2 3.35Å
67G90.9Very high93.2Very high13 Ų1373.9 Ų73.913%0.13437%0.371CS..  trans113.818173.200000117.2D69 A70G67-D69 VanDerWaalsContact C-N 3.25Å; G67-D69 PolarHBondContact O-N 2.83Å; G67-A70 WeakPolarHBondContact O-CB 3.44Å; G67-A70 PolarHBondContact O-N 3.41Å
68E90.7Very high93.1Very high71 Ų7180.3 Ų80.333%0.33240%0.401SS..THydrogen-bonded Turntrans-51.4-41179.3-175.1-171.6-135.300113.6F39 R42F39-E68 HydrophobicContact CD2-CB 3.82Å; F39-E68 HydrophobicContact CD2-CG 4.22Å; F39-E68 HydrophobicContact CE2-CB 4.04Å; F39-E68 HydrophobicContact CE2-CG 3.94Å; R42-E68 VanDerWaalsContact CD-OE1 3.27Å; R42-E68 WeakPolarHBondContact CD-OE1 3.04Å; R42-E68 WeakPolarHBondContact CG-OE1 3.3Å; R42-E68 IonicContact CZ-OE2 3.35Å; R42-E68 PolarHBondContact N-OE1 3.49Å; R42-E68 IonicContact NE-OE1 3.59Å; R42-E68 PolarHBondContact NE-OE1 3.4Å; R42-E68 IonicContact NE-OE2 3.95Å; R42-E68 PolarHBondContact NE-OE2 2.89Å; R42-E68 IonicContact NH2-OE2 2.6Å
69D90.4Very high93.2Very high86 Ų8683.7 Ų83.746%0.4641%0.412SS..THydrogen-bonded Turntrans-98.819.6-178.571.7-25.9000113.6K60 G67 Q71K60-D69 WeakPolarHBondContact CD-OD1 3.44Å; K60-D69 WeakPolarHBondContact CE-OD1 3.45Å; K60-D69 IonicContact NZ-OD1 2.89Å; K60-D69 PolarHBondContact NZ-OD1 3.16Å; K60-D69 IonicContact NZ-OD2 3.51Å; K60-D69 PolarHBondContact NZ-OD2 3.45Å; G67-D69 VanDerWaalsContact C-N 3.25Å; G67-D69 PolarHBondContact O-N 2.83Å; D69-Q71 PolarHBondContact O-N 3.4Å
70A92.6Very high93.3Very high4 Ų481.6 Ų81.63%0.03340%0.396CS..  trans-73.1119.6176.500000111.2N50 L58 K60 C62 G67N50-A70 PolarHBondContact ND2-O 2.8Å; L58-A70 HydrophobicContact CD2-CB 3.97Å; K60-A70 HydrophobicContact CB-CB 4.41Å; C62-A70 HydrophobicContact CB-CB 4.42Å; G67-A70 WeakPolarHBondContact O-CB 3.44Å; G67-A70 PolarHBondContact O-N 3.41Å
71Q94.2Very high93.6Very high137 Ų13777.4 Ų77.464%0.6438%0.377SS*.  trans-117.2148.2-178.7-63.3177.526.700109.8L58 S59 D69 V73L58-Q71 CarbonylContact C-O 3.45Å; S59-Q71 WeakPolarHBondContact CB-O 3.07Å; S59-Q71 PolarHBondContact N-O 3.17Å; S59-Q71 PolarHBondContact OG-N 3.04Å; S59-Q71 PolarHBondContact OG-O 2.84Å; D69-Q71 PolarHBondContact O-N 3.4Å; Q71-V73 PolarHBondContact O-N 3.39Å
72C95.6Very high93.8Very high59 Ų5976.2 Ų76.240%0.39937%0.372SS..EExtended strand (participates in β ladder)trans-73.5120173.1-65.40000110.4C52 M56 E57C52-C72 WeakPolarHBondContact CA-SG 3.44Å; C52-C72 HydrophobicContact CB-CB 3.87Å; C52-C72 WeakPolarHBondContact CB-SG 3.33Å; C52-C72 WeakPolarHBondContact SG-CA 3.46Å; C52-C72 WeakPolarHBondContact SG-CB 3.27Å; C52-C72 CovalentContact SG-SG 2.04Å; C52-C72 PolarHBondContact SG-SG 2.87Å; M56-C72 HydrophobicContact CB-CB 4.32Å; E57-C72 WeakPolarHBondContact O-CA 3.46Å
73V95.9Very high93.9Very high60 Ų6081 Ų8136%0.36440%0.396SS..EExtended strand (participates in β ladder)trans-120.5151.5178.3-650000109.7M56 E57 Q71M56-V73 CarbonylContact C-O 3.5Å; M56-V73 VanDerWaalsContact CA-O 3.26Å; M56-V73 WeakPolarHBondContact CA-O 3.06Å; E57-V73 HydrophobicContact CG-CG2 4.47Å; E57-V73 PolarHBondContact N-O 2.93Å; E57-V73 WeakPolarHBondContact O-CG2 3.42Å; E57-V73 PolarHBondContact O-N 2.03Å; Q71-V73 PolarHBondContact O-N 3.39Å
74T96.4Very high94Very high94 Ų9489.4 Ų89.458%0.57743%0.426SS*.EExtended strand (participates in β ladder)trans-60.8140.4-179.650.10000111.4G55 M56 R76G55-T74 CarbonylContact O-C 3.36Å; G55-T74 WeakPolarHBondContact O-CA 3.46Å; M56-T74 HydrophobicContact CE-CG2 3.76Å; M56-T74 VanDerWaalsContact SD-CA 3.59Å; M56-T74 HydrophobicContact SD-CG2 3.76Å; M56-T74 PolarHBondContact SD-N 3.42Å; M56-T74 VanDerWaalsContact SD-N 3.43Å; T74-R76 PolarHBondContact O-N 2.97Å
75C96.3Very high93.9Very high12 Ų1284 Ų848%0.08141%0.405CS..PPolyproline II helixtrans-49.6137.8170.3-62.90000110.5G55 R79 C89 A108G55-C75 PolarHBondContact O-N 3.5Å; G55-C75 PolarHBondContact O-SG 3.35Å; C75-R79 HydrophobicContact CB-CB 4.35Å; C75-R79 WeakPolarHBondContact CB-O 3.18Å; C75-C89 WeakPolarHBondContact CA-SG 3.11Å; C75-C89 HydrophobicContact CB-CB 3.72Å; C75-C89 WeakPolarHBondContact CB-SG 3.42Å; C75-C89 WeakPolarHBondContact SG-CB 3.44Å; C75-C89 CovalentContact SG-SG 2.03Å; C75-C89 PolarHBondContact SG-SG 2.95Å; C75-A108 HydrophobicContact CB-CB 4.15Å
76R94.9Very high93.8Very high194 Ų19486.3 Ų86.373%0.73241%0.41SS*.PPolyproline II helixtrans-64.5161.2172.6-60.2-175.2-176.5-172.70.3110.9T74 R79T74-R76 PolarHBondContact O-N 2.97Å; R76-R79 WeakPolarHBondContact O-CB 3.39Å; R76-R79 PolarHBondContact O-N 2.97Å
77L93.7Very high93.8Very high157 Ų15784.7 Ų84.782%0.82241%0.409SS*.THydrogen-bonded Turntrans-48.5141.4169.6-75.3151.4000111R79L77-R79 PolarHBondContact O-N 3.3Å
78H93.5Very high93.8Very high154 Ų15488.8 Ų88.871%0.71342%0.423SS*.THydrogen-bonded Turntrans59.924.7-174.5-46.2-81.3000115C92H78-C92 PolarHBondContact O-N 2.88Å; H78-C92 PolarHBondContact O-SG 2.96Å; H78-C92 VanDerWaalsContact O-SG 3.33Å
79R96.3Very high94.1Very high92 Ų9285.5 Ų85.535%0.34741%0.408SS..EExtended strand (participates in β ladder)trans-131.8150167.4-67.3-175.9153.8-144.3-8.6112.8E57 C75 R76 L77 C89 K90 C92E57-R79 IonicContact OE2-NH1 2.61Å; E57-R79 PolarHBondContact OE2-NH1 2.89Å; C75-R79 HydrophobicContact CB-CB 4.35Å; C75-R79 WeakPolarHBondContact CB-O 3.18Å; R76-R79 WeakPolarHBondContact O-CB 3.39Å; R76-R79 PolarHBondContact O-N 2.97Å; L77-R79 PolarHBondContact O-N 3.3Å; R79-C89 HydrophobicContact CB-CB 3.77Å; R79-C89 PolarHBondContact NH1-O 2.82Å; R79-K90 CarbonylContact C-O 3.59Å; R79-K90 WeakPolarHBondContact CA-O 3.33Å; R79-K90 WeakPolarHBondContact CB-O 3.18Å; R79-C92 PolarHBondContact N-SG 2.96Å
80F96.4Very high94.4Very high13 Ų1387.3 Ų87.36%0.05741%0.412CS..EExtended strand (participates in β ladder)trans-137.6161.9-18079.5-79.2000113.7E82 C89 K90 P91 S107 A108 D111F80-E82 HydrophobicContact CD2-CG 4.13Å; F80-E82 HydrophobicContact CE2-CG 4.24Å; F80-E82 WeakPolarHBondContact CE2-OE1 3.14Å; F80-C89 CarbonylContact O-C 3.56Å; F80-C89 VanDerWaalsContact O-CA 3.3Å; F80-C89 WeakPolarHBondContact O-CA 3.23Å; F80-K90 HydrophobicContact CD1-CB 4.31Å; F80-K90 HydrophobicContact CE1-CB 3.9Å; F80-K90 HydrophobicContact CZ-CB 4.27Å; F80-K90 HydrophobicContact CZ-CD 4.34Å; F80-K90 PolarHBondContact N-O 3.27Å; F80-K90 PolarHBondContact O-N 3.04Å; F80-P91 WeakPolarHBondContact CE1-O 3.35Å; F80-S107 WeakPolarHBondContact CB-O 3.23Å; F80-A108 CarbonylContact C-O 3.59Å; F80-A108 WeakPolarHBondContact CA-O 3.32Å; F80-D111 HydrophobicContact CD1-CB 4.11Å; F80-D111 HydrophobicContact CD2-CB 4.12Å; F80-D111 VanDerWaalsContact CD2-N 3.31Å; F80-D111 HydrophobicContact CE1-CB 3.67Å; F80-D111 WeakPolarHBondContact CE1-OD1 3.37Å; F80-D111 WeakPolarHBondContact CE1-OD2 3.33Å; F80-D111 HydrophobicContact CE2-CB 3.69Å; F80-D111 HydrophobicContact CG-CB 4.31Å; F80-D111 HydrophobicContact CZ-CB 3.45Å; F80-D111 VanDerWaalsContact CZ-CB 3.45Å; F80-D111 VanDerWaalsContact CZ-CG 3.43Å; F80-D111 WeakPolarHBondContact CZ-OD2 3.47Å
81K96.7Very high94.5Very high14 Ų1491.5 Ų91.56%0.06144%0.439CS..  trans-154.2118.8169.1180161.8161.3-63.30110.2C52 G53 P54 G55 M56 D83 Q87 C89 A108C52-K81 PolarHBondContact O-NZ 2.9Å; G53-K81 PolarHBondContact O-NZ 3.4Å; P54-K81 CarbonylContact C-O 3.27Å; P54-K81 VanDerWaalsContact CA-O 3.24Å; P54-K81 WeakPolarHBondContact CA-O 3.19Å; G55-K81 PolarHBondContact N-O 2.89Å; M56-K81 WeakPolarHBondContact O-CD 3.2Å; M56-K81 PolarHBondContact O-NZ 2.78Å; K81-D83 WeakPolarHBondContact CE-O 3.35Å; K81-D83 PolarHBondContact NZ-O 3.2Å; K81-Q87 VanDerWaalsContact CD-O 3.23Å; K81-Q87 WeakPolarHBondContact CD-O 2.99Å; K81-Q87 WeakPolarHBondContact CE-O 3.03Å; K81-C89 HydrophobicContact CB-CB 4.49Å; K81-A108 PolarHBondContact N-O 2.96Å
82E95.1Very high94.6Very high98 Ų9886.3 Ų86.346%0.45842%0.417SS..  trans-84.7-39.2-177-76.5158.9-164.400112.8P54 F80 T109 D111P54-E82 WeakPolarHBondContact CB-O 3.45Å; P54-E82 VanDerWaalsContact CG-O 3.26Å; P54-E82 WeakPolarHBondContact CG-O 3.18Å; F80-E82 HydrophobicContact CD2-CG 4.13Å; F80-E82 HydrophobicContact CE2-CG 4.24Å; F80-E82 WeakPolarHBondContact CE2-OE1 3.14Å; E82-T109 WeakPolarHBondContact CA-O 3.46Å; E82-T109 WeakPolarHBondContact CG-O 3.5Å; E82-D111 PolarHBondContact OE1-N 3Å
83D94.3Very high94.5Very high117 Ų11787 Ų8763%0.62642%0.417SS*.SBendtrans-101.6165.5-171.6-60.8-60.3000114.2K81K81-D83 WeakPolarHBondContact CE-O 3.35Å; K81-D83 PolarHBondContact NZ-O 3.2Å
84W95Very high94.3Very high184 Ų18488 Ų8870%0.69742%0.42SS*.  trans-72145.8163.5-76.384.1000111.7C52 G53C52-W84 WeakPolarHBondContact O-CA 3.34Å; G53-W84 VanDerWaalsContact CA-CD2 3.47Å
85G91.4Very high94.1Very high9 Ų983.6 Ų83.69%0.09339%0.393CS..BIsolated β-bridgetrans148-170.2169.600000114.7C52C52-G85 PolarHBondContact N-O 2.74Å; C52-G85 VanDerWaalsContact N-O 3.16Å; C52-G85 PolarHBondContact O-N 3.22Å
86F89.3Confident93.8Very high64 Ų6485.7 Ų85.728%0.28141%0.411SS..SBendtrans-83.4-10.3-178.7-51.8-76.8000114.5Q37 C49 Q51Q37-F86 HydrophobicContact CB-CZ 4.44Å; Q37-F86 HydrophobicContact CG-CE2 4.39Å; Q37-F86 VanDerWaalsContact OE1-CE2 3.25Å; C49-F86 HydrophobicContact CB-CD1 4.03Å; C49-F86 HydrophobicContact CB-CE1 3.7Å; C49-F86 WeakPolarHBondContact O-CE1 3.49Å; Q51-F86 HydrophobicContact CG-CD1 3.78Å; Q51-F86 HydrophobicContact CG-CD2 4.14Å; Q51-F86 HydrophobicContact CG-CE1 3.33Å; Q51-F86 HydrophobicContact CG-CE2 3.72Å; Q51-F86 HydrophobicContact CG-CG 4.17Å; Q51-F86 HydrophobicContact CG-CZ 3.31Å
87Q89.8Confident93.6Very high147 Ų14783.1 Ų83.169%0.68741%0.411SS*.PPolyproline II helixtrans-64.6140.7-177.9-61.1-65.2-12.600110.7K81K81-Q87 VanDerWaalsContact CD-O 3.23Å; K81-Q87 WeakPolarHBondContact CD-O 2.99Å; K81-Q87 WeakPolarHBondContact CE-O 3.03Å
88K92.3Very high93.4Very high99 Ų9978.3 Ų78.343%0.4339%0.388SS..PPolyproline II helixtrans-70.2161.6171.3-63.8-179-175.1173.90110.9E61 K90E61-K88 WeakPolarHBondContact OE1-CE 3.44Å; E61-K88 IonicContact OE1-NZ 3.71Å; E61-K88 WeakPolarHBondContact OE2-CE 3.34Å; E61-K88 IonicContact OE2-NZ 3.82Å; E61-K88 PolarHBondContact OE2-NZ 3.5Å; K88-K90 PolarHBondContact O-N 2.92Å
89C96Very high93.2Very high2 Ų273.4 Ų73.41%0.01437%0.367CS..PPolyproline II helixtrans-64.8131.7173.9-560000109.8E57 C75 R79 F80 K81E57-C89 VanDerWaalsContact CB-SG 3.54Å; E57-C89 HydrophobicContact CG-CB 4.45Å; E57-C89 VanDerWaalsContact CG-SG 3.58Å; E57-C89 WeakPolarHBondContact OE2-CB 3.35Å; E57-C89 PolarHBondContact OE2-N 3.03Å; C75-C89 WeakPolarHBondContact CA-SG 3.11Å; C75-C89 HydrophobicContact CB-CB 3.72Å; C75-C89 WeakPolarHBondContact CB-SG 3.42Å; C75-C89 WeakPolarHBondContact SG-CB 3.44Å; C75-C89 CovalentContact SG-SG 2.03Å; C75-C89 PolarHBondContact SG-SG 2.95Å; R79-C89 HydrophobicContact CB-CB 3.77Å; R79-C89 PolarHBondContact NH1-O 2.82Å; F80-C89 CarbonylContact O-C 3.56Å; F80-C89 VanDerWaalsContact O-CA 3.3Å; F80-C89 WeakPolarHBondContact O-CA 3.23Å; K81-C89 HydrophobicContact CB-CB 4.49Å
90K96.1Very high92.9Very high123 Ų12369.6 Ų69.654%0.53535%0.353SS..EExtended strand (participates in β ladder)trans-80.8149179.9-63.9173.6-173.8168.50109.4R79 F80 K88R79-K90 CarbonylContact C-O 3.59Å; R79-K90 WeakPolarHBondContact CA-O 3.33Å; R79-K90 WeakPolarHBondContact CB-O 3.18Å; F80-K90 HydrophobicContact CD1-CB 4.31Å; F80-K90 HydrophobicContact CE1-CB 3.9Å; F80-K90 HydrophobicContact CZ-CB 4.27Å; F80-K90 HydrophobicContact CZ-CD 4.34Å; F80-K90 PolarHBondContact N-O 3.27Å; F80-K90 PolarHBondContact O-N 3.04Å; K88-K90 PolarHBondContact O-N 2.92Å
91P95.9Very high92.6Very high93 Ų9374 Ų7460%0.60437%0.372SS*.EExtended strand (participates in β ladder)trans-60.9140.816829-34.3000109.7F80F80-P91 WeakPolarHBondContact CE1-O 3.35Å
92C95.6Very high92.4Very high28 Ų2878 Ų7819%0.18939%0.391CS..PPolyproline II helixtrans-65.1148.2172.7-58.50000111.4H78 R79 C106 D111H78-C92 PolarHBondContact O-N 2.88Å; H78-C92 PolarHBondContact O-SG 2.96Å; H78-C92 VanDerWaalsContact O-SG 3.33Å; R79-C92 PolarHBondContact N-SG 2.96Å; C92-C106 HydrophobicContact CB-CB 3.5Å; C92-C106 WeakPolarHBondContact CB-SG 3.21Å; C92-C106 WeakPolarHBondContact SG-CB 3.39Å; C92-C106 CovalentContact SG-SG 2.01Å; C92-C106 PolarHBondContact SG-SG 2.95Å; C92-D111 WeakPolarHBondContact CA-OD1 3.21Å
93L93.1Very high92.4Very high74 Ų7479.5 Ų79.539%0.38740%0.396SS..PPolyproline II helixtrans-65.8129.1167.4-179.859.5000110.5D111 A112 C114L93-D111 PolarHBondContact N-OD1 2.97Å; L93-A112 VanDerWaalsContact O-CB 3.27Å; L93-A112 WeakPolarHBondContact O-CB 3.32Å; L93-C114 WeakPolarHBondContact CD2-SG 3.41Å
94D93.1Very high92.3Very high79 Ų7975.6 Ų75.642%0.42238%0.38SS..  trans-94.1113.8167-174.3-11.8000109.6A96 L97D94-A96 VanDerWaalsContact C-N 3.28Å; D94-A96 PolarHBondContact O-N 2.91Å; D94-A96 VanDerWaalsContact OD1-CB 3.31Å; D94-A96 WeakPolarHBondContact OD1-CB 3.13Å; D94-A96 PolarHBondContact OD1-N 3.02Å; D94-L97 HydrophobicContact CB-CB 4.33Å; D94-L97 HydrophobicContact CB-CD1 3.92Å; D94-L97 HydrophobicContact CB-CG 3.9Å; D94-L97 PolarHBondContact O-N 3.13Å
95C92Very high92.3Very high2 Ų272.9 Ų72.91%0.01438%0.379CS..THydrogen-bonded Turntrans-67-27.8179.1-58.20000113V98 N99 R100 Q102 C114C95-V98 CarbonylContact O-C 3.01Å; C95-V98 VanDerWaalsContact O-CG2 3.32Å; C95-V98 WeakPolarHBondContact O-CG2 3.33Å; C95-V98 PolarHBondContact O-N 2.92Å; C95-N99 PolarHBondContact O-N 3.12Å; C95-R100 CarbonylContact C-O 3.59Å; C95-R100 HydrophobicContact CB-CB 4.37Å; C95-R100 WeakPolarHBondContact CB-O 3.5Å; C95-R100 PolarHBondContact O-N 2.61Å; C95-R100 VanDerWaalsContact O-O 3.09Å; C95-Q102 HydrophobicContact CB-CB 4.19Å; C95-C114 WeakPolarHBondContact CA-SG 3.31Å; C95-C114 HydrophobicContact CB-CB 3.82Å; C95-C114 WeakPolarHBondContact CB-SG 3.07Å; C95-C114 WeakPolarHBondContact SG-CA 3.03Å; C95-C114 WeakPolarHBondContact SG-CB 3.35Å; C95-C114 CovalentContact SG-SG 2.04Å; C95-C114 PolarHBondContact SG-SG 2.04Å
96A89.9Confident92.4Very high56 Ų5674.2 Ų74.246%0.46339%0.387SS..THydrogen-bonded Turntrans-67.5-39.4177.900000111.3D94 V98 N99D94-A96 VanDerWaalsContact C-N 3.28Å; D94-A96 PolarHBondContact O-N 2.91Å; D94-A96 VanDerWaalsContact OD1-CB 3.31Å; D94-A96 WeakPolarHBondContact OD1-CB 3.13Å; D94-A96 PolarHBondContact OD1-N 3.02Å; A96-V98 PolarHBondContact O-N 3.01Å; A96-N99 PolarHBondContact O-N 2.93Å
97L90Very high92.7Very high141 Ų14173.2 Ų73.274%0.73839%0.387SS*.THydrogen-bonded Turntrans-63-24.3176.9-64.8-177.3000113.5D94D94-L97 HydrophobicContact CB-CB 4.33Å; D94-L97 HydrophobicContact CB-CD1 3.92Å; D94-L97 HydrophobicContact CB-CG 3.9Å; D94-L97 PolarHBondContact O-N 3.13Å
98V88.8Confident93Very high56 Ų5668.1 Ų68.134%0.33937%0.371SS..THydrogen-bonded Turntrans-102.116.8174.4-62.80000113.1C95 A96 R100C95-V98 CarbonylContact O-C 3.01Å; C95-V98 VanDerWaalsContact O-CG2 3.32Å; C95-V98 WeakPolarHBondContact O-CG2 3.33Å; C95-V98 PolarHBondContact O-N 2.92Å; A96-V98 PolarHBondContact O-N 3.01Å; V98-R100 HydrophobicContact CG2-CB 4.28Å; V98-R100 HydrophobicContact CG2-CG 4.31Å; V98-R100 PolarHBondContact O-N 2.74Å
99N90.1Very high93.2Very high50 Ų5067 Ų6727%0.26737%0.372SS..THydrogen-bonded Turntrans53.244.9-179.9-53.9-62.3000113.7C95 A96 C117 L118 F121 C135C95-N99 PolarHBondContact O-N 3.12Å; A96-N99 PolarHBondContact O-N 2.93Å; N99-C117 CarbonylContact O-C 3.56Å; N99-C117 WeakPolarHBondContact O-CA 3.46Å; N99-L118 PolarHBondContact O-N 2.72Å; N99-F121 HydrophobicContact CB-CB 4.44Å; N99-F121 HydrophobicContact CB-CD1 3.69Å; N99-F121 HydrophobicContact CB-CD2 3.96Å; N99-F121 HydrophobicContact CB-CE1 3.85Å; N99-F121 HydrophobicContact CB-CE2 4.09Å; N99-F121 HydrophobicContact CB-CG 3.77Å; N99-F121 HydrophobicContact CB-CZ 4.04Å; N99-F121 VanDerWaalsContact CG-CZ 3.46Å; N99-F121 VanDerWaalsContact ND2-CE1 3.34Å; N99-F121 WeakPolarHBondContact ND2-CE1 3.38Å; N99-F121 VanDerWaalsContact OD1-CZ 3.26Å; N99-F121 WeakPolarHBondContact OD1-CZ 3.34Å; N99-C135 HydrophobicContact CB-CB 3.97Å
100R90.6Very high93.1Very high12 Ų1269.1 Ų69.15%0.04539%0.387CS..EExtended strand (participates in β ladder)trans-126.9153179.4-71.7174.6176.4-85.7-12.4112.8C95 V98 C114 G115 D116 M133 C135C95-R100 CarbonylContact C-O 3.59Å; C95-R100 HydrophobicContact CB-CB 4.37Å; C95-R100 WeakPolarHBondContact CB-O 3.5Å; C95-R100 PolarHBondContact O-N 2.61Å; C95-R100 VanDerWaalsContact O-O 3.09Å; V98-R100 HydrophobicContact CG2-CB 4.28Å; V98-R100 HydrophobicContact CG2-CG 4.31Å; V98-R100 PolarHBondContact O-N 2.74Å; R100-C114 HydrophobicContact CB-CB 4.05Å; R100-G115 WeakPolarHBondContact CD-O 3.49Å; R100-G115 PolarHBondContact NH1-O 3.2Å; R100-D116 VanDerWaalsContact CA-O 3.31Å; R100-D116 WeakPolarHBondContact CA-O 3.46Å; R100-M133 VanDerWaalsContact CZ-O 3.23Å; R100-M133 PolarHBondContact NE-O 2.89Å; R100-M133 PolarHBondContact NH2-O 3.35Å; R100-C135 WeakPolarHBondContact CG-SG 3.42Å; R100-C135 VanDerWaalsContact CZ-SG 3.6Å
101F90.4Very high93.1Very high105 Ų10565.2 Ų65.246%0.46137%0.372SS..EExtended strand (participates in β ladder)trans-68.8139.3167.6-71.8-77.4000111.3K103 G115 D116 L118 P119F101-K103 PolarHBondContact O-N 2.85Å; F101-G115 PolarHBondContact O-N 2.6Å; F101-D116 PolarHBondContact N-O 2.81Å; F101-L118 HydrophobicContact CD1-CD2 3.69Å; F101-L118 HydrophobicContact CD2-CD2 3.96Å; F101-L118 HydrophobicContact CE1-CD2 3.7Å; F101-L118 HydrophobicContact CE2-CD2 3.97Å; F101-L118 HydrophobicContact CG-CD2 3.83Å; F101-L118 HydrophobicContact CZ-CD2 3.86Å; F101-P119 HydrophobicContact CZ-CG 4.21Å
102Q92.7Very high93Very high99 Ų9961.1 Ų61.146%0.46335%0.346SS..EExtended strand (participates in β ladder)trans-78.5118.5170.3-171.3165.933.700109.7C95 A104C95-Q102 HydrophobicContact CB-CB 4.19Å; Q102-A104 VanDerWaalsContact CG-O 3.26Å; Q102-A104 WeakPolarHBondContact CG-O 3.17Å
103K93.6Very high92.9Very high130 Ų13064.8 Ų64.857%0.56536%0.363SS*.EExtended strand (participates in β ladder)trans-91.7-30.6175.9-79.1-178.2177.2165.80112.5F101 I113 G115 D116F101-K103 PolarHBondContact O-N 2.85Å; K103-I113 WeakPolarHBondContact CA-O 3.29Å; K103-I113 HydrophobicContact CB-CG2 4.43Å; K103-I113 PolarHBondContact N-O 2.8Å; K103-G115 VanDerWaalsContact CD-CA 3.44Å; K103-G115 VanDerWaalsContact CE-CA 3.42Å; K103-D116 VanDerWaalsContact CE-OD2 3.27Å; K103-D116 WeakPolarHBondContact CE-OD2 3.27Å; K103-D116 IonicContact NZ-OD1 3.85Å; K103-D116 IonicContact NZ-OD2 3.49Å; K103-D116 PolarHBondContact NZ-OD2 3.35Å
104A92.9Very high92.8Very high35 Ų3562.3 Ų62.329%0.28935%0.351SS..EExtended strand (participates in β ladder)trans-139.3141.6170.100000110.7Q102 A112 I113Q102-A104 VanDerWaalsContact CG-O 3.26Å; Q102-A104 WeakPolarHBondContact CG-O 3.17Å; A104-A112 WeakPolarHBondContact O-CA 3.32Å; A104-I113 HydrophobicContact CB-CB 3.86Å; A104-I113 HydrophobicContact CB-CD1 3.99Å; A104-I113 HydrophobicContact CB-CG1 3.97Å; A104-I113 PolarHBondContact N-O 3.39Å; A104-I113 PolarHBondContact O-N 3.37Å; A104-I113 VanDerWaalsContact O-N 3.11Å
105N93.9Very high92.7Very high126 Ų12658.7 Ų58.767%0.67433%0.333SS*.  trans-71.4147173.9-64.9-18.8000110
106C94.8Very high92.5Very high37 Ų3763.3 Ų63.325%0.2536%0.357CS..  trans-64.4145.7171.6-165.80000110.9C92 S110 A112C92-C106 HydrophobicContact CB-CB 3.5Å; C92-C106 WeakPolarHBondContact CB-SG 3.21Å; C92-C106 WeakPolarHBondContact SG-CB 3.39Å; C92-C106 CovalentContact SG-SG 2.01Å; C92-C106 PolarHBondContact SG-SG 2.95Å; C106-S110 PolarHBondContact SG-O 3.28Å; C106-A112 HydrophobicContact CB-CB 4.06Å
107S95.1Very high92.4Very high43 Ų4361.6 Ų61.630%0.30134%0.342SS..BIsolated β-bridgetrans-124171.5173.378.60000109.9F80 T109 S110F80-S107 WeakPolarHBondContact CB-O 3.23Å; S107-T109 PolarHBondContact O-N 3.11Å; S107-T109 PolarHBondContact OG-N 2.89Å; S107-T109 VanDerWaalsContact OG-N 3.16Å; S107-T109 PolarHBondContact OG-OG1 2.88Å; S107-T109 VanDerWaalsContact OG-OG1 3.1Å; S107-S110 PolarHBondContact N-O 2.86Å; S107-S110 PolarHBondContact O-N 3.07Å; S107-S110 VanDerWaalsContact O-O 3.05Å; S107-S110 PolarHBondContact OG-N 2.79Å; S107-S110 PolarHBondContact OG-OG 2.93Å
108A95.9Very high92.3Very high41 Ų4157.1 Ų57.134%0.33932%0.319SS..THydrogen-bonded Turntrans-58.5-30.6171.500000111.7G55 C75 F80 K81G55-A108 WeakPolarHBondContact CA-O 3.09Å; C75-A108 HydrophobicContact CB-CB 4.15Å; F80-A108 CarbonylContact C-O 3.59Å; F80-A108 WeakPolarHBondContact CA-O 3.32Å; K81-A108 PolarHBondContact N-O 2.96Å
109T96Very high92.2Very high74 Ų7458.7 Ų58.745%0.45433%0.33SS..THydrogen-bonded Turntrans-99.5-5.9-173.148.10000115P54 E82 S107P54-T109 HydrophobicContact CB-CG2 3.99Å; E82-T109 WeakPolarHBondContact CA-O 3.46Å; E82-T109 WeakPolarHBondContact CG-O 3.5Å; S107-T109 PolarHBondContact O-N 3.11Å; S107-T109 PolarHBondContact OG-N 2.89Å; S107-T109 VanDerWaalsContact OG-N 3.16Å; S107-T109 PolarHBondContact OG-OG1 2.88Å; S107-T109 VanDerWaalsContact OG-OG1 3.1Å
110S94.5Very high91.7Very high47 Ų4757.6 Ų57.633%0.32933%0.331SS..BIsolated β-bridgetrans-156.6146.8-17468.10000112.4C106 S107C106-S110 PolarHBondContact SG-O 3.28Å; S107-S110 PolarHBondContact N-O 2.86Å; S107-S110 PolarHBondContact O-N 3.07Å; S107-S110 VanDerWaalsContact O-O 3.05Å; S107-S110 PolarHBondContact OG-N 2.79Å; S107-S110 PolarHBondContact OG-OG 2.93Å
111D95.8Very high91.4Very high41 Ų4159.3 Ų59.322%0.21934%0.338CS..PPolyproline II helixtrans-65.8167.8174.6-149.3-10.1000113.1F80 E82 C92 L93F80-D111 HydrophobicContact CD1-CB 4.11Å; F80-D111 HydrophobicContact CD2-CB 4.12Å; F80-D111 VanDerWaalsContact CD2-N 3.31Å; F80-D111 HydrophobicContact CE1-CB 3.67Å; F80-D111 WeakPolarHBondContact CE1-OD1 3.37Å; F80-D111 WeakPolarHBondContact CE1-OD2 3.33Å; F80-D111 HydrophobicContact CE2-CB 3.69Å; F80-D111 HydrophobicContact CG-CB 4.31Å; F80-D111 HydrophobicContact CZ-CB 3.45Å; F80-D111 VanDerWaalsContact CZ-CB 3.45Å; F80-D111 VanDerWaalsContact CZ-CG 3.43Å; F80-D111 WeakPolarHBondContact CZ-OD2 3.47Å; E82-D111 PolarHBondContact OE1-N 3Å; C92-D111 WeakPolarHBondContact CA-OD1 3.21Å; L93-D111 PolarHBondContact N-OD1 2.97Å
112A94.2Very high90.8Very high7 Ų756.4 Ų56.46%0.05833%0.325CS..PPolyproline II helixtrans-69.2140.2164.500000111L93 A104 C106L93-A112 VanDerWaalsContact O-CB 3.27Å; L93-A112 WeakPolarHBondContact O-CB 3.32Å; A104-A112 WeakPolarHBondContact O-CA 3.32Å; C106-A112 HydrophobicContact CB-CB 4.06Å
113I93.1Very high90.2Very high105 Ų10555.2 Ų55.254%0.53832%0.316SS..EExtended strand (participates in β ladder)trans-100.9117.1177.8-57.1176.9000109K103 A104K103-I113 WeakPolarHBondContact CA-O 3.29Å; K103-I113 HydrophobicContact CB-CG2 4.43Å; K103-I113 PolarHBondContact N-O 2.8Å; A104-I113 HydrophobicContact CB-CB 3.86Å; A104-I113 HydrophobicContact CB-CD1 3.99Å; A104-I113 HydrophobicContact CB-CG1 3.97Å; A104-I113 PolarHBondContact N-O 3.39Å; A104-I113 PolarHBondContact O-N 3.37Å; A104-I113 VanDerWaalsContact O-N 3.11Å
114C92.5Very high89.1Confident22 Ų2255 Ų5515%0.14932%0.315CS..EExtended strand (participates in β ladder)trans-91.2134.1177.6-53.60000112.3L93 C95 R100L93-C114 WeakPolarHBondContact CD2-SG 3.41Å; C95-C114 WeakPolarHBondContact CA-SG 3.31Å; C95-C114 HydrophobicContact CB-CB 3.82Å; C95-C114 WeakPolarHBondContact CB-SG 3.07Å; C95-C114 WeakPolarHBondContact SG-CA 3.03Å; C95-C114 WeakPolarHBondContact SG-CB 3.35Å; C95-C114 CovalentContact SG-SG 2.04Å; C95-C114 PolarHBondContact SG-SG 2.04Å; R100-C114 HydrophobicContact CB-CB 4.05Å
115G89.7Confident87.8Confident4 Ų458 Ų584%0.04133%0.33CS..EExtended strand (participates in β ladder)trans-94.7-141.817900000113.4R100 F101 K103R100-G115 WeakPolarHBondContact CD-O 3.49Å; R100-G115 PolarHBondContact NH1-O 3.2Å; F101-G115 PolarHBondContact O-N 2.6Å; K103-G115 VanDerWaalsContact CD-CA 3.44Å; K103-G115 VanDerWaalsContact CE-CA 3.42Å
116D87.4Confident86.3Confident98 Ų9857.2 Ų57.252%0.52432%0.32SS..EExtended strand (participates in β ladder)trans-74.6163.6-174-50.6-71000111.4R100 F101 K103R100-D116 VanDerWaalsContact CA-O 3.31Å; R100-D116 WeakPolarHBondContact CA-O 3.46Å; F101-D116 PolarHBondContact N-O 2.81Å; K103-D116 VanDerWaalsContact CE-OD2 3.27Å; K103-D116 WeakPolarHBondContact CE-OD2 3.27Å; K103-D116 IonicContact NZ-OD1 3.85Å; K103-D116 IonicContact NZ-OD2 3.49Å; K103-D116 PolarHBondContact NZ-OD2 3.35Å
117C88.6Confident84.5Confident21 Ų2164.3 Ų64.314%0.14236%0.355CS..EExtended strand (participates in β ladder)trans-63.7147.2-178.7-60.70000111.6N99 F121 C135N99-C117 CarbonylContact O-C 3.56Å; N99-C117 WeakPolarHBondContact O-CA 3.46Å; C117-F121 HydrophobicContact CB-CB 4.07Å; C117-C135 WeakPolarHBondContact CA-SG 3.26Å; C117-C135 HydrophobicContact CB-CB 3.81Å; C117-C135 WeakPolarHBondContact CB-SG 3.32Å; C117-C135 WeakPolarHBondContact SG-CB 3.38Å; C117-C135 CovalentContact SG-SG 2.04Å; C117-C135 PolarHBondContact SG-SG 2.74Å
118L88.4Confident82.8Confident47 Ų4768.5 Ų68.525%0.24638%0.378CS..PPolyproline II helixtrans-65157.8173.2-68.2176.8000111.2N99 F101 G120 F121N99-L118 PolarHBondContact O-N 2.72Å; F101-L118 HydrophobicContact CD1-CD2 3.69Å; F101-L118 HydrophobicContact CD2-CD2 3.96Å; F101-L118 HydrophobicContact CE1-CD2 3.7Å; F101-L118 HydrophobicContact CE2-CD2 3.97Å; F101-L118 HydrophobicContact CG-CD2 3.83Å; F101-L118 HydrophobicContact CZ-CD2 3.86Å; L118-G120 PolarHBondContact O-N 2.88Å; L118-F121 HydrophobicContact CB-CD2 4.17Å; L118-F121 WeakPolarHBondContact O-CB 3.4Å; L118-F121 PolarHBondContact O-N 3.3Å
119P85.4Confident80.9Confident89 Ų8970 Ų7058%0.57840%0.398SS*.THydrogen-bonded Turntrans-56.1138.6176.3-23.434.9000111.6F101 F121F101-P119 HydrophobicContact CZ-CG 4.21Å; P119-F121 VanDerWaalsContact C-N 3.29Å
120G79.7Confident78.8Confident27 Ų2774 Ų7428%0.27841%0.41SS..THydrogen-bonded Turntrans82.22.9-172.800000114.6L118 C138L118-G120 PolarHBondContact O-N 2.88Å; G120-C138 PolarHBondContact O-N 2.93Å; G120-C138 PolarHBondContact O-SG 3.05Å
121F83.9Confident77Confident47 Ų4777.9 Ų77.921%0.20642%0.422CS..EExtended strand (participates in β ladder)trans-124.4144.8170.5-60-98.9000110.9N99 C117 L118 P119 C135 V136 P137N99-F121 HydrophobicContact CB-CB 4.44Å; N99-F121 HydrophobicContact CB-CD1 3.69Å; N99-F121 HydrophobicContact CB-CD2 3.96Å; N99-F121 HydrophobicContact CB-CE1 3.85Å; N99-F121 HydrophobicContact CB-CE2 4.09Å; N99-F121 HydrophobicContact CB-CG 3.77Å; N99-F121 HydrophobicContact CB-CZ 4.04Å; N99-F121 VanDerWaalsContact CG-CZ 3.46Å; N99-F121 VanDerWaalsContact ND2-CE1 3.34Å; N99-F121 WeakPolarHBondContact ND2-CE1 3.38Å; N99-F121 VanDerWaalsContact OD1-CZ 3.26Å; N99-F121 WeakPolarHBondContact OD1-CZ 3.34Å; C117-F121 HydrophobicContact CB-CB 4.07Å; L118-F121 HydrophobicContact CB-CD2 4.17Å; L118-F121 WeakPolarHBondContact O-CB 3.4Å; L118-F121 PolarHBondContact O-N 3.3Å; P119-F121 VanDerWaalsContact C-N 3.29Å; F121-C135 HydrophobicContact CB-CB 4.06Å; F121-V136 CarbonylContact C-O 3.56Å; F121-V136 VanDerWaalsContact CA-O 3.28Å; F121-V136 WeakPolarHBondContact CA-O 3.29Å; F121-P137 HydrophobicContact CD1-CB 4.02Å; F121-P137 HydrophobicContact CE1-CB 3.84Å; F121-P137 HydrophobicContact CE1-CG 4.46Å
122Y78.5Confident75.2Confident44 Ų4477.6 Ų77.617%0.17342%0.421CS..EExtended strand (participates in β ladder)trans-124.8158.917774.7-80.4000111.2K124 V136 E146Y122-K124 HydrophobicContact CE2-CB 4.35Å; Y122-V136 HydrophobicContact CD1-CB 4.28Å; Y122-V136 WeakPolarHBondContact CD1-O 3.43Å; Y122-V136 HydrophobicContact CE1-CB 3.79Å; Y122-V136 HydrophobicContact CE1-CG1 3.76Å; Y122-V136 PolarHBondContact N-O 3.15Å; Y122-V136 PolarHBondContact O-N 3.44Å; Y122-E146 VanDerWaalsContact CB-CG 3.42Å; Y122-E146 HydrophobicContact CD1-CG 4.42Å; Y122-E146 VanDerWaalsContact CD2-CD 3.42Å; Y122-E146 HydrophobicContact CD2-CG 3.85Å; Y122-E146 HydrophobicContact CG-CG 3.65Å
123R79.4Confident73.7Confident74 Ų7482.3 Ų82.328%0.27944%0.443SS..EExtended strand (participates in β ladder)trans-94.4111.4-177.6-171.6-174.5-169.3-179.83.1110.4T125 Q131 D132 M133R123-T125 PolarHBondContact O-N 3.13Å; R123-Q131 VanDerWaalsContact NH2-CB 3.27Å; R123-Q131 PolarHBondContact NH2-O 3.42Å; R123-D132 PolarHBondContact NE-O 2.87Å; R123-D132 PolarHBondContact NH2-O 3.25Å; R123-M133 PolarHBondContact NH2-SD 3.45Å
124K71.8Confident73.1Confident126 Ų12683.4 Ų83.455%0.54845%0.446SS..PPolyproline II helixtrans-80.1117.4173.9-168.7173.4-177.7178.80110.4Y122 D132 V136Y122-K124 HydrophobicContact CE2-CB 4.35Å; K124-D132 WeakPolarHBondContact O-CB 3.32Å; K124-V136 HydrophobicContact CB-CG2 3.85Å; K124-V136 HydrophobicContact CD-CG2 4.41Å
125T65.9Low72.8Confident97 Ų9782.7 Ų82.760%0.59544%0.441SS*.PPolyproline II helixtrans-72.3136.9167.648.60000109.8R123R123-T125 PolarHBondContact O-N 3.13Å
126K61.5Low72.6Confident111 Ų11184.1 Ų84.148%0.48345%0.449SS..PPolyproline II helixtrans-69.4147.7167.5-92.3174.3172.1129.60109V128 G129 F130 D132K126-V128 PolarHBondContact O-N 3.32Å; K126-G129 PolarHBondContact O-N 2.85Å; K126-F130 HydrophobicContact CB-CB 4.34Å; K126-F130 PolarHBondContact N-O 2.74Å; K126-F130 VanDerWaalsContact N-O 3.14Å; K126-D132 VanDerWaalsContact CD-OD2 3.23Å; K126-D132 WeakPolarHBondContact CD-OD2 3.44Å; K126-D132 WeakPolarHBondContact CE-OD2 3.42Å; K126-D132 HydrophobicContact CG-CB 4.42Å; K126-D132 VanDerWaalsContact CG-OD2 3.31Å; K126-D132 WeakPolarHBondContact CG-OD2 3.25Å; K126-D132 IonicContact NZ-OD1 2.78Å; K126-D132 PolarHBondContact NZ-OD1 3.18Å; K126-D132 IonicContact NZ-OD2 3.99Å; K126-D132 PolarHBondContact NZ-OD2 2.97Å
127L57Low72.4Confident185 Ų18583.4 Ų83.497%0.96945%0.449SS*.THydrogen-bonded Turntrans-60.910.4-174-83.4157.6000116.4
128V59.8Low72.1Confident132 Ų13284 Ų8480%0.845%0.453SS*.THydrogen-bonded Turntrans-136.936.5-179.7-160.20000110.5K126 F130K126-V128 PolarHBondContact O-N 3.32Å; V128-F130 PolarHBondContact O-N 2.95Å
129G56.6Low71.2Confident73 Ų7383.7 Ų83.775%0.75346%0.462SS*.SBendtrans66.7-1.2178.200000115.6K126 Q131K126-G129 PolarHBondContact O-N 2.85Å; G129-Q131 PolarHBondContact O-N 2.94Å
130F51.9Low69.9Low158 Ų15887.6 Ų87.669%0.69348%0.478SS*.  trans-74.3125.5178.8-136.7-96.3000110.2K126 V128 D132K126-F130 HydrophobicContact CB-CB 4.34Å; K126-F130 PolarHBondContact N-O 2.74Å; K126-F130 VanDerWaalsContact N-O 3.14Å; V128-F130 PolarHBondContact O-N 2.95Å; F130-D132 VanDerWaalsContact C-N 3.34Å; F130-D132 PolarHBondContact O-N 3.33Å
131Q55.1Low69Low128 Ų12891.8 Ų91.860%0.59850%0.5SS*.  trans-81.477.7-171.1-111.3-168.960.800110.3R123 G129 M133R123-Q131 VanDerWaalsContact NH2-CB 3.27Å; R123-Q131 PolarHBondContact NH2-O 3.42Å; G129-Q131 PolarHBondContact O-N 2.94Å; Q131-M133 PolarHBondContact O-N 3.27Å
132D58.1Low67.7Low35 Ų3592.4 Ų92.419%0.18751%0.509CS..  trans-54.5135.2174.4-109.82.3000110.4R123 K124 K126 F130R123-D132 PolarHBondContact NE-O 2.87Å; R123-D132 PolarHBondContact NH2-O 3.25Å; K124-D132 WeakPolarHBondContact O-CB 3.32Å; K126-D132 VanDerWaalsContact CD-OD2 3.23Å; K126-D132 WeakPolarHBondContact CD-OD2 3.44Å; K126-D132 WeakPolarHBondContact CE-OD2 3.42Å; K126-D132 HydrophobicContact CG-CB 4.42Å; K126-D132 VanDerWaalsContact CG-OD2 3.31Å; K126-D132 WeakPolarHBondContact CG-OD2 3.25Å; K126-D132 IonicContact NZ-OD1 2.78Å; K126-D132 PolarHBondContact NZ-OD1 3.18Å; K126-D132 IonicContact NZ-OD2 3.99Å; K126-D132 PolarHBondContact NZ-OD2 2.97Å; F130-D132 VanDerWaalsContact C-N 3.34Å; F130-D132 PolarHBondContact O-N 3.33Å
133M63.5Low66.7Low105 Ų10592.9 Ų92.952%0.51752%0.517SS..  trans-88.95.3178-68.8-64.5-76.400112R100 R123 Q131R100-M133 VanDerWaalsContact CZ-O 3.23Å; R100-M133 PolarHBondContact NE-O 2.89Å; R100-M133 PolarHBondContact NH2-O 3.35Å; R123-M133 PolarHBondContact NH2-SD 3.45Å; Q131-M133 PolarHBondContact O-N 3.27Å
134E80.3Confident65.7Low128 Ų12894.9 Ų94.960%0.59854%0.54SS*.  trans-73.7128.1175.1-167.4169.6-159.600111.1V136E134-V136 HydrophobicContact CG-CG2 4.41Å
135C86.1Confident65Low8 Ų898.6 Ų98.65%0.05455%0.552CS.*EExtended strand (participates in β ladder)trans-101.3112.4172.7-71.50000108.1N99 R100 C117 F121N99-C135 HydrophobicContact CB-CB 3.97Å; R100-C135 WeakPolarHBondContact CG-SG 3.42Å; R100-C135 VanDerWaalsContact CZ-SG 3.6Å; C117-C135 WeakPolarHBondContact CA-SG 3.26Å; C117-C135 HydrophobicContact CB-CB 3.81Å; C117-C135 WeakPolarHBondContact CB-SG 3.32Å; C117-C135 WeakPolarHBondContact SG-CB 3.38Å; C117-C135 CovalentContact SG-SG 2.04Å; C117-C135 PolarHBondContact SG-SG 2.74Å; F121-C135 HydrophobicContact CB-CB 4.06Å
136V85.3Confident64.7Low33 Ų3396.5 Ų96.520%0.254%0.535CS..EExtended strand (participates in β ladder)trans-93.6134.1-174.4-177.60000108.7F121 Y122 K124 E134F121-V136 CarbonylContact C-O 3.56Å; F121-V136 VanDerWaalsContact CA-O 3.28Å; F121-V136 WeakPolarHBondContact CA-O 3.29Å; Y122-V136 HydrophobicContact CD1-CB 4.28Å; Y122-V136 WeakPolarHBondContact CD1-O 3.43Å; Y122-V136 HydrophobicContact CE1-CB 3.79Å; Y122-V136 HydrophobicContact CE1-CG1 3.76Å; Y122-V136 PolarHBondContact N-O 3.15Å; Y122-V136 PolarHBondContact O-N 3.44Å; K124-V136 HydrophobicContact CB-CG2 3.85Å; K124-V136 HydrophobicContact CD-CG2 4.41Å; E134-V136 HydrophobicContact CG-CG2 4.41Å
137P84.8Confident64.6Low83 Ų8396 Ų9654%0.53954%0.543SS..EExtended strand (participates in β ladder)trans-63141.7176.625.6-34.1000111.2F121F121-P137 HydrophobicContact CD1-CB 4.02Å; F121-P137 HydrophobicContact CE1-CB 3.84Å; F121-P137 HydrophobicContact CE1-CG 4.46Å
138C80.4Confident64.7Low33 Ų3392.6 Ų92.622%0.22352%0.522CS..PPolyproline II helixtrans-62.1138170.2-60.70000110G120 C149G120-C138 PolarHBondContact O-N 2.93Å; G120-C138 PolarHBondContact O-SG 3.05Å; C138-C149 HydrophobicContact CB-CB 3.77Å; C138-C149 WeakPolarHBondContact CB-SG 3.27Å; C138-C149 WeakPolarHBondContact SG-CA 3.45Å; C138-C149 WeakPolarHBondContact SG-CB 3.3Å; C138-C149 CovalentContact SG-SG 2.03Å; C138-C149 PolarHBondContact SG-SG 3.41Å
139G69.8Low64.9Low41 Ų4187 Ų8742%0.42349%0.489SS..PPolyproline II helixtrans-83.5162.4172.200000112.4P141 P142G139-P141 CarbonylContact O-C 3.55Å; G139-P142 VanDerWaalsContact O-CA 3.26Å; G139-P142 WeakPolarHBondContact O-CA 3.29Å
140D59.1Low65.1Low171 Ų17187.3 Ų87.391%0.91448%0.484SS*.SBendtrans-102.4114.1167.8-78.6-38.1000109.6
141P59.5Low65.2Low116 Ų11682.7 Ų82.775%0.75347%0.472SS*.SBendcis-77.6155.7-4.533.7-35.7000112.9G139G139-P141 CarbonylContact O-C 3.55Å
142P57.5Low65.1Low59 Ų5985.7 Ų85.738%0.38348%0.483SS..PPolyproline II helixtrans-68.1146.8-179.527.4-35.3000111.8G139 C149G139-P142 VanDerWaalsContact O-CA 3.26Å; G139-P142 WeakPolarHBondContact O-CA 3.29Å; P142-C149 HydrophobicContact CB-CB 3.6Å
143P57.8Low64.6Low54 Ų5489 Ų8935%0.35150%0.504SS..PPolyproline II helixtrans-57.2137.3175.4-23.533.7000111.4Y145 E146P143-Y145 PolarHBondContact O-N 3.44Å; P143-E146 HydrophobicContact CB-CB 4.41Å; P143-E146 PolarHBondContact O-N 2.98Å
144P58Low63.6Low116 Ų11690.8 Ų90.875%0.75352%0.516SS*.THydrogen-bonded Turntrans-60.6-11.2-175.9-25.434000116
145Y56.4Low62Low204 Ų20491.9 Ų91.980%0.853%0.525SS*.THydrogen-bonded Turntrans-112.33.8-168.2-51.2-72.6000113.5P143 P147P143-Y145 PolarHBondContact O-N 3.44Å; Y145-P147 WeakPolarHBondContact O-CD 3.45Å
146E61.2Low59.9Low54 Ų5497.4 Ų97.425%0.25256%0.558SS.*  trans-111.694.6-170.9-155.370.6-133.800111.4Y122 P143 H148 C149Y122-E146 VanDerWaalsContact CB-CG 3.42Å; Y122-E146 HydrophobicContact CD1-CG 4.42Å; Y122-E146 VanDerWaalsContact CD2-CD 3.42Å; Y122-E146 HydrophobicContact CD2-CG 3.85Å; Y122-E146 HydrophobicContact CG-CG 3.65Å; P143-E146 HydrophobicContact CB-CB 4.41Å; P143-E146 PolarHBondContact O-N 2.98Å; E146-H148 PolarHBondContact O-N 3.47Å; E146-H148 VanDerWaalsContact O-N 3.16Å; E146-C149 HydrophobicContact CB-CB 4.41Å; E146-C149 PolarHBondContact O-N 3.02Å
147P59.1Low57.7Low100 Ų100104.5 Ų104.565%0.64959%0.586SS**G310 helixtrans-64.4-24.8-171.225.4-34.7000113.6Y145 C149 A150Y145-P147 WeakPolarHBondContact O-CD 3.45Å; P147-C149 PolarHBondContact O-N 2.93Å; P147-A150 WeakPolarHBondContact O-CB 3.31Å; P147-A150 PolarHBondContact O-N 3.04Å
148H59.3Low55.5Low113 Ų113107.8 Ų107.852%0.52360%0.598SS.*G310 helixtrans-70.2-19176.7-60.5-67.4000113.6E146E146-H148 PolarHBondContact O-N 3.47Å; E146-H148 VanDerWaalsContact O-N 3.16Å
149C62.9Low53.2Low16 Ų16109.5 Ų109.511%0.10861%0.614CS.*G310 helixtrans-91.1-1.2176.1-60.70000113.5C138 P142 E146 P147 S151C138-C149 HydrophobicContact CB-CB 3.77Å; C138-C149 WeakPolarHBondContact CB-SG 3.27Å; C138-C149 WeakPolarHBondContact SG-CA 3.45Å; C138-C149 WeakPolarHBondContact SG-CB 3.3Å; C138-C149 CovalentContact SG-SG 2.03Å; C138-C149 PolarHBondContact SG-SG 3.41Å; P142-C149 HydrophobicContact CB-CB 3.6Å; E146-C149 HydrophobicContact CB-CB 4.41Å; E146-C149 PolarHBondContact O-N 3.02Å; P147-C149 PolarHBondContact O-N 2.93Å; C149-S151 VanDerWaalsContact C-N 3.29Å; C149-S151 PolarHBondContact O-N 3.28Å
150A60.7Low51.6Low79 Ų79112.9 Ų112.965%0.65363%0.631SS**  trans-84.97.6-177.800000114.2P147 K152P147-A150 WeakPolarHBondContact O-CB 3.31Å; P147-A150 PolarHBondContact O-N 3.04Å; A150-K152 PolarHBondContact O-N 2.8Å
151S55.3Low50.6Low61 Ų61111 Ų11143%0.42763%0.626SS.*  trans-72.690.1-179.167.40000111.5C149 V153C149-S151 VanDerWaalsContact C-N 3.29Å; C149-S151 PolarHBondContact O-N 3.28Å; S151-V153 PolarHBondContact O-N 2.91Å
152K52.7Low49.7Very low191 Ų191109.7 Ų109.783%0.8363%0.625SS**  trans-68.866.6171.7-168.8-176.5-179.6178.50111.6A150A150-K152 PolarHBondContact O-N 2.8Å
153V47.8Very low49Very low103 Ų103111.6 Ų111.662%0.62464%0.64SS**  trans-77.8129.9153.9-75.60000107.5S151 L155S151-V153 PolarHBondContact O-N 2.91Å; V153-L155 HydrophobicContact CG2-CD1 3.99Å; V153-L155 PolarHBondContact O-N 3.49Å
154N41.3Very low48.6Very low144 Ų144111 Ų11177%0.7764%0.637SS**  trans-70.584.7170.5-75.5-74.6000108V156N154-V156 PolarHBondContact O-N 2.91Å
155L47.4Very low48.4Very low151 Ų151111 Ų11179%0.79164%0.637SS**  trans-59.898154.4-108.374000105.9V153 K157V153-L155 HydrophobicContact CG2-CD1 3.99Å; V153-L155 PolarHBondContact O-N 3.49Å; L155-K157 VanDerWaalsContact C-N 3.32Å; L155-K157 PolarHBondContact O-N 2.97Å
156V42.7Very low48.3Very low124 Ų124110 Ų11075%0.75263%0.632SS**  trans-54.6110.31561720000104.5N154 I158N154-V156 PolarHBondContact O-N 2.91Å; V156-I158 PolarHBondContact O-N 2.94Å
157K38.4Very low47.9Very low182 Ų182111.5 Ų111.579%0.79164%0.641SS**  trans-63.487.8176.7-177.4170.4-176162.40107.3L155 A159L155-K157 VanDerWaalsContact C-N 3.32Å; L155-K157 PolarHBondContact O-N 2.97Å; K157-A159 VanDerWaalsContact C-N 3.25Å; K157-A159 PolarHBondContact O-N 3.36Å
158I37.3Very low47.8Very low152 Ų152111.8 Ų111.878%0.77964%0.641SS**  trans-54.3107.4152.8-57.1178.2000102.6V156 S160V156-I158 PolarHBondContact O-N 2.94Å; I158-S160 PolarHBondContact O-N 3.39Å
159A32.7Very low47.8Very low69 Ų69108.7 Ų108.757%0.5764%0.636SS**  trans-58.5111.7-177.300000106.3K157 T161K157-A159 VanDerWaalsContact C-N 3.25Å; K157-A159 PolarHBondContact O-N 3.36Å; A159-T161 PolarHBondContact O-N 3.31Å
160S36.1Very low48Very low112 Ų112112.5 Ų112.578%0.78365%0.654SS**  trans-50.6108.6169-54.90000105.8I158 A162I158-S160 PolarHBondContact O-N 3.39Å; S160-A162 PolarHBondContact O-N 3.28Å
161T37.9Very low48Very low130 Ų130111.1 Ų111.180%0.79864%0.643SS**  trans-51.2112.7-174.7-62.10000106.7A159 S163A159-T161 PolarHBondContact O-N 3.31Å; T161-S163 PolarHBondContact O-N 2.82Å
162A40.8Very low48.3Very low89 Ų89111 Ų11174%0.73665%0.646SS**  trans-53.4116.2178.300000106.4S160 S164S160-A162 PolarHBondContact O-N 3.28Å; A162-S164 PolarHBondContact O-N 2.79Å
163S44Very low49.5Very low99 Ų99107 Ų10769%0.69263%0.632SS**  trans-50.7115.9-170.251.40000108.2T161T161-S163 PolarHBondContact O-N 2.82Å
164S48.7Very low50.9Low42 Ų42106.9 Ų106.929%0.29463%0.627SS.*  trans-67.7146.3-170.8-166.80000107.3A162 R166 D167A162-S164 PolarHBondContact O-N 2.79Å; S164-R166 PolarHBondContact O-N 3.44Å; S164-D167 PolarHBondContact N-OD2 2.64Å; S164-D167 PolarHBondContact O-N 2.82Å
165P53.7Low52.1Low115 Ų115104 Ų10475%0.74762%0.617SS**Hα-helixtrans-57.8-0.6173.1-26.335.6000115.1T168P165-T168 PolarHBondContact O-OG1 2.75Å
166R53.2Low53.1Low185 Ų185100 Ų10070%0.69860%0.602SS**Hα-helixtrans-81.2-27.4173-61.6177.6177.5144.20.6112.9S164 A169 L170S164-R166 PolarHBondContact O-N 3.44Å; R166-A169 PolarHBondContact O-N 3.39Å; R166-L170 WeakPolarHBondContact O-CB 3.36Å; R166-L170 WeakPolarHBondContact O-CG 3.25Å; R166-L170 PolarHBondContact O-N 2.79Å
167D53.7Low54.7Low84 Ų8496.4 Ų96.445%0.44959%0.585SS.*Hα-helixtrans-73.6-34.5-173.6-57.8-37.8000111.8S164 A171S164-D167 PolarHBondContact N-OD2 2.64Å; S164-D167 PolarHBondContact O-N 2.82Å; D167-A171 WeakPolarHBondContact O-CB 3.18Å; D167-A171 PolarHBondContact O-N 2.87Å
168T57.5Low56.6Low106 Ų10692.6 Ų92.665%0.6557%0.573SS**Hα-helixtrans-69.5-36170.845.90000112.5P165 A172P165-T168 PolarHBondContact O-OG1 2.75Å; T168-A172 VanDerWaalsContact O-CB 3.32Å; T168-A172 WeakPolarHBondContact O-CB 3.29Å; T168-A172 PolarHBondContact O-N 3.29Å
169A58.6Low58.3Low49 Ų4988.1 Ų88.141%0.40556%0.558SS.*Hα-helixtrans-67.6-45.1174.600000111.5R166 A172 I173R166-A169 PolarHBondContact O-N 3.39Å; A169-A172 PolarHBondContact O-N 3.35Å; A169-I173 WeakPolarHBondContact O-CD1 3.5Å; A169-I173 VanDerWaalsContact O-CG1 3.25Å; A169-I173 WeakPolarHBondContact O-CG1 3.32Å; A169-I173 PolarHBondContact O-N 2.85Å
170L68.3Low60.5Low96 Ų9689 Ų8950%0.50356%0.557SS.*Hα-helixtrans-65.5-42.6176.1-70.4170.8000111.8R166 A172 I173 I174R166-L170 WeakPolarHBondContact O-CB 3.36Å; R166-L170 WeakPolarHBondContact O-CG 3.25Å; R166-L170 PolarHBondContact O-N 2.79Å; L170-A172 VanDerWaalsContact C-N 3.34Å; L170-A172 PolarHBondContact O-N 3.33Å; L170-I173 PolarHBondContact O-N 3.31Å; L170-I174 VanDerWaalsContact O-CG1 3.29Å; L170-I174 WeakPolarHBondContact O-CG1 3.24Å; L170-I174 PolarHBondContact O-N 3.37Å
171A58.8Low62.9Low49 Ų4987.6 Ų87.641%0.40554%0.544SS..Hα-helixtrans-60.6-41.4173.500000112D167 I174 C175D167-A171 WeakPolarHBondContact O-CB 3.18Å; D167-A171 PolarHBondContact O-N 2.87Å; A171-I174 PolarHBondContact O-N 2.85Å; A171-C175 VanDerWaalsContact O-CB 3.26Å; A171-C175 WeakPolarHBondContact O-CB 3.39Å; A171-C175 PolarHBondContact O-N 3.31Å; A171-C175 PolarHBondContact O-SG 2.8Å
172A62.4Low64.9Low60 Ų6086.7 Ų86.750%0.49653%0.533SS..Hα-helixtrans-65.2-39175.400000112.7T168 A169 L170 S176T168-A172 VanDerWaalsContact O-CB 3.32Å; T168-A172 WeakPolarHBondContact O-CB 3.29Å; T168-A172 PolarHBondContact O-N 3.29Å; A169-A172 PolarHBondContact O-N 3.35Å; L170-A172 VanDerWaalsContact C-N 3.34Å; L170-A172 PolarHBondContact O-N 3.33Å; A172-S176 VanDerWaalsContact O-CB 3.32Å; A172-S176 WeakPolarHBondContact O-CB 3.27Å; A172-S176 PolarHBondContact O-N 2.9Å; A172-S176 PolarHBondContact O-OG 3.33Å
173I77.4Confident66.8Low106 Ų10687.2 Ų87.254%0.54452%0.523SS..Hα-helixtrans-65.5-44.9175.1-68.8162.6000110.8A169 L170 S176 A177A169-I173 WeakPolarHBondContact O-CD1 3.5Å; A169-I173 VanDerWaalsContact O-CG1 3.25Å; A169-I173 WeakPolarHBondContact O-CG1 3.32Å; A169-I173 PolarHBondContact O-N 2.85Å; L170-I173 PolarHBondContact O-N 3.31Å; I173-S176 WeakPolarHBondContact CA-OG 3.49Å; I173-S176 PolarHBondContact O-N 2.88Å; I173-S176 PolarHBondContact O-OG 3.42Å; I173-A177 WeakPolarHBondContact O-CB 3.46Å; I173-A177 PolarHBondContact O-N 2.94Å
174I77.3Confident68.6Low101 Ų10185.1 Ų85.152%0.51851%0.512SS..Hα-helixtrans-66.5-46178.6-66.5163.9000110.6L170 A171 S176 A177 L178L170-I174 VanDerWaalsContact O-CG1 3.29Å; L170-I174 WeakPolarHBondContact O-CG1 3.24Å; L170-I174 PolarHBondContact O-N 3.37Å; A171-I174 PolarHBondContact O-N 2.85Å; I174-S176 PolarHBondContact O-N 3.39Å; I174-A177 PolarHBondContact O-N 2.86Å; I174-L178 HydrophobicContact CG2-CD1 3.97Å; I174-L178 HydrophobicContact CG2-CG 4.41Å; I174-L178 WeakPolarHBondContact O-CB 3.28Å; I174-L178 VanDerWaalsContact O-CG 3.32Å; I174-L178 WeakPolarHBondContact O-CG 3.18Å; I174-L178 PolarHBondContact O-N 2.85Å
175C66.3Low70.2Confident83 Ų8387.8 Ų87.856%0.56152%0.522SS*.Hα-helixtrans-63.4-38.3177.8-74.80000112.7A171 A179A171-C175 VanDerWaalsContact O-CB 3.26Å; A171-C175 WeakPolarHBondContact O-CB 3.39Å; A171-C175 PolarHBondContact O-N 3.31Å; A171-C175 PolarHBondContact O-SG 2.8Å; C175-A179 VanDerWaalsContact O-CB 3.31Å; C175-A179 WeakPolarHBondContact O-CB 3.27Å; C175-A179 PolarHBondContact O-N 3.39Å
176S68.4Low71.3Confident68 Ų6887.7 Ų87.748%0.47652%0.515SS..Hα-helixtrans-70.8-37.5175.354.10000112.5A172 I173 I174 A179 T180A172-S176 VanDerWaalsContact O-CB 3.32Å; A172-S176 WeakPolarHBondContact O-CB 3.27Å; A172-S176 PolarHBondContact O-N 2.9Å; A172-S176 PolarHBondContact O-OG 3.33Å; I173-S176 WeakPolarHBondContact CA-OG 3.49Å; I173-S176 PolarHBondContact O-N 2.88Å; I173-S176 PolarHBondContact O-OG 3.42Å; I174-S176 PolarHBondContact O-N 3.39Å; S176-A179 PolarHBondContact O-N 3.4Å; S176-T180 WeakPolarHBondContact O-CG2 3.35Å; S176-T180 PolarHBondContact O-N 3.43Å; S176-T180 PolarHBondContact O-OG1 3.31Å
177A77.6Confident72.6Confident48 Ų4883.2 Ų83.240%0.39750%0.504SS..Hα-helixtrans-64.2-41.3172.400000112.7I173 I174 T180 V181I173-A177 WeakPolarHBondContact O-CB 3.46Å; I173-A177 PolarHBondContact O-N 2.94Å; I174-A177 PolarHBondContact O-N 2.86Å; A177-T180 PolarHBondContact O-N 2.87Å; A177-T180 PolarHBondContact O-OG1 3.49Å; A177-V181 WeakPolarHBondContact O-CG2 3.11Å; A177-V181 PolarHBondContact O-N 3.22Å
178L77.3Confident73.9Confident102 Ų10284.6 Ų84.653%0.53451%0.511SS..Hα-helixtrans-66-40.3174-69.5173.1000111.5I174 T180 V181 L182I174-L178 HydrophobicContact CG2-CD1 3.97Å; I174-L178 HydrophobicContact CG2-CG 4.41Å; I174-L178 WeakPolarHBondContact O-CB 3.28Å; I174-L178 VanDerWaalsContact O-CG 3.32Å; I174-L178 WeakPolarHBondContact O-CG 3.18Å; I174-L178 PolarHBondContact O-N 2.85Å; L178-T180 PolarHBondContact O-N 2.81Å; L178-V181 PolarHBondContact O-N 2.75Å; L178-L182 WeakPolarHBondContact O-CB 3.48Å; L178-L182 VanDerWaalsContact O-CG 3.29Å; L178-L182 WeakPolarHBondContact O-CG 3.48Å; L178-L182 PolarHBondContact O-N 3.21Å
179A73.3Confident75Confident57 Ų5783 Ų8347%0.47150%0.503SS..Hα-helixtrans-63.6-38.7176.100000112.8C175 S176 L183C175-A179 VanDerWaalsContact O-CB 3.31Å; C175-A179 WeakPolarHBondContact O-CB 3.27Å; C175-A179 PolarHBondContact O-N 3.39Å; S176-A179 PolarHBondContact O-N 3.4Å; A179-L183 VanDerWaalsContact O-CB 3.29Å; A179-L183 WeakPolarHBondContact O-CB 3.46Å; A179-L183 PolarHBondContact O-N 2.74Å
180T79.6Confident75.9Confident88 Ų8885 Ų8554%0.5451%0.51SS..Hα-helixtrans-71.5-37.317655.30000112.5S176 A177 L178 L183 A184S176-T180 WeakPolarHBondContact O-CG2 3.35Å; S176-T180 PolarHBondContact O-N 3.43Å; S176-T180 PolarHBondContact O-OG1 3.31Å; A177-T180 PolarHBondContact O-N 2.87Å; A177-T180 PolarHBondContact O-OG1 3.49Å; L178-T180 PolarHBondContact O-N 2.81Å; T180-L183 PolarHBondContact O-N 2.83Å; T180-A184 VanDerWaalsContact O-CB 3.28Å; T180-A184 WeakPolarHBondContact O-CB 3.27Å; T180-A184 PolarHBondContact O-N 2.83Å
181V86.6Confident76.6Confident83 Ų8385.4 Ų85.450%0.50351%0.511SS..Hα-helixtrans-62.7-45.9172.4170.60000111.1A177 L178 A184 L185A177-V181 WeakPolarHBondContact O-CG2 3.11Å; A177-V181 PolarHBondContact O-N 3.22Å; L178-V181 PolarHBondContact O-N 2.75Å; V181-A184 PolarHBondContact O-N 2.82Å; V181-L185 HydrophobicContact CG1-CD1 4.17Å; V181-L185 WeakPolarHBondContact O-CG 3.24Å; V181-L185 PolarHBondContact O-N 3.31Å
182L78.6Confident77.5Confident110 Ų11089.5 Ų89.558%0.57652%0.517SS*.Hα-helixtrans-63-42.7176.1-71.6171.4000111.9L178 L185 L186L178-L182 WeakPolarHBondContact O-CB 3.48Å; L178-L182 VanDerWaalsContact O-CG 3.29Å; L178-L182 WeakPolarHBondContact O-CG 3.48Å; L178-L182 PolarHBondContact O-N 3.21Å; L182-L185 PolarHBondContact O-N 2.9Å; L182-L186 WeakPolarHBondContact O-CB 3.23Å; L182-L186 WeakPolarHBondContact O-CG 3.31Å; L182-L186 PolarHBondContact O-N 2.88Å
183L80.7Confident77.9Confident101 Ų10190.1 Ų90.153%0.52952%0.517SS..Hα-helixtrans-64-41.3175.9-177.562.1000111.8A179 T180 L186 I187A179-L183 VanDerWaalsContact O-CB 3.29Å; A179-L183 WeakPolarHBondContact O-CB 3.46Å; A179-L183 PolarHBondContact O-N 2.74Å; T180-L183 PolarHBondContact O-N 2.83Å; L183-L186 PolarHBondContact O-N 3.37Å; L183-I187 HydrophobicContact CD1-CD1 4.27Å; L183-I187 HydrophobicContact CD1-CG1 4.48Å; L183-I187 HydrophobicContact CG-CD1 3.97Å; L183-I187 WeakPolarHBondContact O-CB 3.32Å; L183-I187 VanDerWaalsContact O-CG1 3.27Å; L183-I187 WeakPolarHBondContact O-CG1 3.49Å; L183-I187 PolarHBondContact O-N 3.33Å
184A82.2Confident77.5Confident55 Ų5591.7 Ų91.746%0.45552%0.52SS..Hα-helixtrans-62.6-44.2175.100000111.4T180 V181 I187 L188T180-A184 VanDerWaalsContact O-CB 3.28Å; T180-A184 WeakPolarHBondContact O-CB 3.27Å; T180-A184 PolarHBondContact O-N 2.83Å; V181-A184 PolarHBondContact O-N 2.82Å; A184-I187 PolarHBondContact O-N 2.74Å; A184-L188 VanDerWaalsContact O-CB 3.27Å; A184-L188 WeakPolarHBondContact O-CB 3.49Å; A184-L188 PolarHBondContact O-N 2.74Å
185L82.8Confident77.3Confident98 Ų9894.4 Ų94.451%0.51352%0.524SS..Hα-helixtrans-62.7-40.9174.1-72.2173.1000112V181 L182 L188 C189V181-L185 HydrophobicContact CG1-CD1 4.17Å; V181-L185 WeakPolarHBondContact O-CG 3.24Å; V181-L185 PolarHBondContact O-N 3.31Å; L182-L185 PolarHBondContact O-N 2.9Å; L185-L188 PolarHBondContact O-N 3.48Å; L185-C189 VanDerWaalsContact O-CB 3.29Å; L185-C189 WeakPolarHBondContact O-CB 3.25Å; L185-C189 PolarHBondContact O-N 3.5Å; L185-C189 PolarHBondContact O-SG 3.07Å
186L76.6Confident77.4Confident113 Ų11395.3 Ų95.359%0.59252%0.52SS*.Hα-helixtrans-64.3-42.7174.8-73172.9000112.1L182 L183 L188 C189 V190L182-L186 WeakPolarHBondContact O-CB 3.23Å; L182-L186 WeakPolarHBondContact O-CG 3.31Å; L182-L186 PolarHBondContact O-N 2.88Å; L183-L186 PolarHBondContact O-N 3.37Å; L186-L188 VanDerWaalsContact C-N 3.35Å; L186-C189 PolarHBondContact O-N 2.95Å; L186-V190 WeakPolarHBondContact O-CB 3.13Å; L186-V190 WeakPolarHBondContact O-CG2 3.29Å; L186-V190 PolarHBondContact O-N 2.87Å
187I80.2Confident76.8Confident90 Ų9098.2 Ų98.246%0.46252%0.524SS..Hα-helixtrans-62.6-43.8174.3-69.9164.7000110.3L183 A184 V190 I191L183-I187 HydrophobicContact CD1-CD1 4.27Å; L183-I187 HydrophobicContact CD1-CG1 4.48Å; L183-I187 HydrophobicContact CG-CD1 3.97Å; L183-I187 WeakPolarHBondContact O-CB 3.32Å; L183-I187 VanDerWaalsContact O-CG1 3.27Å; L183-I187 WeakPolarHBondContact O-CG1 3.49Å; L183-I187 PolarHBondContact O-N 3.33Å; A184-I187 PolarHBondContact O-N 2.74Å; I187-V190 PolarHBondContact O-N 3.26Å; I187-I191 HydrophobicContact CG2-CD1 3.73Å; I187-I191 HydrophobicContact CG2-CG1 4.41Å; I187-I191 WeakPolarHBondContact O-CB 3.39Å; I187-I191 VanDerWaalsContact O-CG1 3.27Å; I187-I191 WeakPolarHBondContact O-CG1 3.47Å; I187-I191 PolarHBondContact O-N 3.45Å
188L82.3Confident75.8Confident114 Ų114101.7 Ų101.760%0.59753%0.534SS*.Hα-helixtrans-68.1-37.4179.3-149.8158000111A184 L185 L186 I191 Y192A184-L188 VanDerWaalsContact O-CB 3.27Å; A184-L188 WeakPolarHBondContact O-CB 3.49Å; A184-L188 PolarHBondContact O-N 2.74Å; L185-L188 PolarHBondContact O-N 3.48Å; L186-L188 VanDerWaalsContact C-N 3.35Å; L188-I191 PolarHBondContact O-N 3.44Å; L188-Y192 WeakPolarHBondContact O-CB 3.03Å; L188-Y192 PolarHBondContact O-N 3.42Å
189C79.6Confident74.8Confident72 Ų72103.5 Ų103.549%0.48654%0.54SS..Hα-helixtrans-63.9-41.2168.8-76.30000112.1L185 L186 Y192 C193L185-C189 VanDerWaalsContact O-CB 3.29Å; L185-C189 WeakPolarHBondContact O-CB 3.25Å; L185-C189 PolarHBondContact O-N 3.5Å; L185-C189 PolarHBondContact O-SG 3.07Å; L186-C189 PolarHBondContact O-N 2.95Å; C189-Y192 PolarHBondContact O-N 3.32Å; C189-C193 WeakPolarHBondContact O-CB 3.41Å; C189-C193 PolarHBondContact O-N 2.85Å; C189-C193 PolarHBondContact O-SG 2.97Å
190V78.5Confident73.7Confident92 Ų92109.2 Ų109.256%0.55855%0.554SS**Hα-helixtrans-67-39.6175.61680000111.2L186 I187 K194L186-V190 WeakPolarHBondContact O-CB 3.13Å; L186-V190 WeakPolarHBondContact O-CG2 3.29Å; L186-V190 PolarHBondContact O-N 2.87Å; I187-V190 PolarHBondContact O-N 3.26Å; V190-K194 VanDerWaalsContact O-CB 3.27Å; V190-K194 WeakPolarHBondContact O-CB 3.09Å; V190-K194 PolarHBondContact O-N 2.82Å
191I81.8Confident72.3Confident103 Ų103109.7 Ų109.753%0.52855%0.548SS..Hα-helixtrans-66.9-42.7174.1-69167.2000110.3I187 L188 K194 R195I187-I191 HydrophobicContact CG2-CD1 3.73Å; I187-I191 HydrophobicContact CG2-CG1 4.41Å; I187-I191 WeakPolarHBondContact O-CB 3.39Å; I187-I191 VanDerWaalsContact O-CG1 3.27Å; I187-I191 WeakPolarHBondContact O-CG1 3.47Å; I187-I191 PolarHBondContact O-N 3.45Å; L188-I191 PolarHBondContact O-N 3.44Å; I191-K194 PolarHBondContact O-N 3.4Å; I191-R195 WeakPolarHBondContact O-CB 3.36Å; I191-R195 PolarHBondContact O-N 2.77Å
192Y77.4Confident70.6Confident135 Ų135110.7 Ų110.753%0.52956%0.557SS.*Hα-helixtrans-67.7-43.2178.4-176.7-101000111.7L188 C189 R195 Q196L188-Y192 WeakPolarHBondContact O-CB 3.03Å; L188-Y192 PolarHBondContact O-N 3.42Å; C189-Y192 PolarHBondContact O-N 3.32Å; Y192-R195 CarbonylContact O-C 3.59Å; Y192-R195 PolarHBondContact O-N 3.09Å; Y192-Q196 HydrophobicContact CD1-CG 4.26Å; Y192-Q196 HydrophobicContact CE1-CG 3.89Å; Y192-Q196 HydrophobicContact CE2-CG 4.5Å; Y192-Q196 WeakPolarHBondContact O-CB 3.3Å; Y192-Q196 WeakPolarHBondContact O-CG 3.39Å; Y192-Q196 PolarHBondContact O-N 2.68Å; Y192-Q196 PolarHBondContact OH-NE2 3.5Å
193C71Confident69Low74 Ų74111.5 Ų111.550%0.557%0.571SS.*Hα-helixtrans-65.7-43172.9-720000111.2C189 R195 F197C189-C193 WeakPolarHBondContact O-CB 3.41Å; C189-C193 PolarHBondContact O-N 2.85Å; C189-C193 PolarHBondContact O-SG 2.97Å; C193-R195 VanDerWaalsContact C-N 3.3Å; C193-R195 PolarHBondContact O-N 2.73Å; C193-F197 WeakPolarHBondContact O-CB 3.44Å; C193-F197 PolarHBondContact O-N 2.87Å
194K69.6Low67.1Low139 Ų139118 Ų11860%0.60459%0.589SS**Hα-helixtrans-62.1-38.7171.5-88.4-153.5174.3-1770111.8V190 I191 F197 M198V190-K194 VanDerWaalsContact O-CB 3.27Å; V190-K194 WeakPolarHBondContact O-CB 3.09Å; V190-K194 PolarHBondContact O-N 2.82Å; I191-K194 PolarHBondContact O-N 3.4Å; K194-F197 CarbonylContact O-C 3.59Å; K194-F197 PolarHBondContact O-N 3.27Å; K194-M198 VanDerWaalsContact O-CB 3.31Å; K194-M198 WeakPolarHBondContact O-CB 3.31Å; K194-M198 WeakPolarHBondContact O-CG 3.27Å; K194-M198 PolarHBondContact O-N 3.47Å
195R73.2Confident65.1Low158 Ų158120.1 Ų120.160%0.59660%0.6SS**Hα-helixtrans-69.7-52.4179.5-172.5169.4177.3174.4-0.1110.5I191 Y192 C193 F197 M198 E199I191-R195 WeakPolarHBondContact O-CB 3.36Å; I191-R195 PolarHBondContact O-N 2.77Å; Y192-R195 CarbonylContact O-C 3.59Å; Y192-R195 PolarHBondContact O-N 3.09Å; C193-R195 VanDerWaalsContact C-N 3.3Å; C193-R195 PolarHBondContact O-N 2.73Å; R195-F197 PolarHBondContact O-N 2.74Å; R195-M198 CarbonylContact O-C 3.5Å; R195-M198 PolarHBondContact O-N 2.94Å; R195-E199 WeakPolarHBondContact CG-OE2 3.34Å; R195-E199 IonicContact CZ-OE2 3.9Å; R195-E199 IonicContact NE-OE2 2.71Å; R195-E199 PolarHBondContact NE-OE2 3.21Å; R195-E199 IonicContact NH2-OE2 2.71Å; R195-E199 VanDerWaalsContact O-CB 3.3Å; R195-E199 WeakPolarHBondContact O-CB 3.33Å; R195-E199 PolarHBondContact O-N 3.21Å
196Q67.8Low63Low101 Ų101123 Ų12347%0.47262%0.616SS.*Hα-helixtrans-51.8-41.7169.8-76.9-159-7.600112.2Y192 M198 K200Y192-Q196 HydrophobicContact CD1-CG 4.26Å; Y192-Q196 HydrophobicContact CE1-CG 3.89Å; Y192-Q196 HydrophobicContact CE2-CG 4.5Å; Y192-Q196 WeakPolarHBondContact O-CB 3.3Å; Y192-Q196 WeakPolarHBondContact O-CG 3.39Å; Y192-Q196 PolarHBondContact O-N 2.68Å; Y192-Q196 PolarHBondContact OH-NE2 3.5Å; Q196-M198 VanDerWaalsContact C-N 3.27Å; Q196-M198 PolarHBondContact O-N 3.05Å; Q196-K200 VanDerWaalsContact O-CB 3.25Å; Q196-K200 WeakPolarHBondContact O-CB 3.22Å; Q196-K200 PolarHBondContact O-N 3.45Å
197F56.4Low60.9Low130 Ų130129.5 Ų129.557%0.5763%0.632SS**Hα-helixtrans-80.83.7179-166.5-119.2000114.3C193 K194 R195 K201C193-F197 WeakPolarHBondContact O-CB 3.44Å; C193-F197 PolarHBondContact O-N 2.87Å; K194-F197 CarbonylContact O-C 3.59Å; K194-F197 PolarHBondContact O-N 3.27Å; R195-F197 PolarHBondContact O-N 2.74Å; F197-K201 VanDerWaalsContact CE1-CE 3.47Å; F197-K201 WeakPolarHBondContact O-CD 3.33Å; F197-K201 WeakPolarHBondContact O-CE 3.49Å; F197-K201 WeakPolarHBondContact O-CG 3.04Å; F197-K201 PolarHBondContact O-NZ 2.92Å
198M55.7Low58.8Low121 Ų121130.5 Ų130.560%0.59665%0.647SS**Hα-helixtrans-119.3-36.2172.1-69.4-67-169.400111.4K194 R195 Q196 K201K194-M198 VanDerWaalsContact O-CB 3.31Å; K194-M198 WeakPolarHBondContact O-CB 3.31Å; K194-M198 WeakPolarHBondContact O-CG 3.27Å; K194-M198 PolarHBondContact O-N 3.47Å; R195-M198 CarbonylContact O-C 3.5Å; R195-M198 PolarHBondContact O-N 2.94Å; Q196-M198 VanDerWaalsContact C-N 3.27Å; Q196-M198 PolarHBondContact O-N 3.05Å; M198-K201 HydrophobicContact SD-CD 3.91Å; M198-K201 PolarHBondContact SD-NZ 3.44Å
199E57Low56.6Low140 Ų140133.4 Ų133.465%0.65466%0.658SS**Hα-helixtrans-69.9-21.7167.8-126.7162.4116.200111.3R195R195-E199 WeakPolarHBondContact CG-OE2 3.34Å; R195-E199 IonicContact CZ-OE2 3.9Å; R195-E199 IonicContact NE-OE2 2.71Å; R195-E199 PolarHBondContact NE-OE2 3.21Å; R195-E199 IonicContact NH2-OE2 2.71Å; R195-E199 VanDerWaalsContact O-CB 3.3Å; R195-E199 WeakPolarHBondContact O-CB 3.33Å; R195-E199 PolarHBondContact O-N 3.21Å
200K51Low54.3Low177 Ų177137.5 Ų137.577%0.7768%0.675SS**SBendtrans-114.587161.2-60-168.1176.5-1730111.4Q196Q196-K200 VanDerWaalsContact O-CB 3.25Å; Q196-K200 WeakPolarHBondContact O-CB 3.22Å; Q196-K200 PolarHBondContact O-N 3.45Å
201K49.8Very low52.1Low98 Ų98141 Ų14143%0.42669%0.688SS.*  trans-149.1145.3165.3-103.5177.1-173.1135.50112.1F197 M198F197-K201 VanDerWaalsContact CE1-CE 3.47Å; F197-K201 WeakPolarHBondContact O-CD 3.33Å; F197-K201 WeakPolarHBondContact O-CE 3.49Å; F197-K201 WeakPolarHBondContact O-CG 3.04Å; F197-K201 PolarHBondContact O-NZ 2.92Å; M198-K201 HydrophobicContact SD-CD 3.91Å; M198-K201 PolarHBondContact SD-NZ 3.44Å
202P50.4Low49.7Very low104 Ų104144.5 Ų144.568%0.67570%0.703SS**  cis-126.2116.7-17.634.2-16.6000112.1
203S45.8Very low47.4Very low126 Ų126149.1 Ų149.188%0.88172%0.721SS**SBendtrans-113.236.917770.90000114.4
204W39.7Very low45.7Very low238 Ų238153 Ų15390%0.90274%0.737SS**SBendtrans-155.1-0.816074.5-80.8000116.7L206W204-L206 PolarHBondContact O-N 2.77Å
205S40.3Very low44.1Very low99 Ų99148.8 Ų148.869%0.69273%0.733SS**SBendtrans-87.33.8-176.1-165.20000115.7
206L38.8Very low42.2Very low160 Ų160146.6 Ų146.684%0.83874%0.742SS**SBendtrans-139.157.5177.7-152.387.5000113W204W204-L206 PolarHBondContact O-N 2.77Å
207R33.7Very low40.7Very low248 Ų248149.6 Ų149.694%0.93676%0.756SS**SBendtrans-136.527.9155.7-141.7-174.6-166.9-169.34.8113.6
208S35.9Very low39.9Very low111 Ų111150.6 Ų150.678%0.77677%0.766SS**SBendtrans-148.865.6165.6-167.70000110.1
209Q34.4Very low38.6Very low176 Ų176150.8 Ų150.882%0.82278%0.779SS**  trans177.885.9141.7-98.5167.214.800109.1
210D31.5Very low37.7Very low158 Ų158149.3 Ų149.385%0.84578%0.783SS**  trans-136.783.3145.1-144-14.5000107.4
211I33.9Very low37Very low164 Ų164150.5 Ų150.584%0.84179%0.789SS**SBendtrans-163.473.5146.1-86.7150.8000104.4
212Q30.6Very low36.1Very low177 Ų177153.6 Ų153.683%0.82781%0.81SS**  trans27.9103.4143-163.9169.85.800119.8
213Y29.9Very low35.2Very low232 Ų232159.1 Ų159.191%0.9182%0.817SS**  trans-148.4135.3133.4-141.8-94.1000110.1
214N34.8Very low35.7Very low157 Ų157157.7 Ų157.784%0.8481%0.805SS**  trans-137.7137.4-170.9-176.427000111.4
215G35.1Very low35.2Very low50 Ų50154 Ų15452%0.51580%0.798SS.*  trans77.2144.9169.900000116.1
216S32.9Very low34.7Very low112 Ų112155.7 Ų155.778%0.78380%0.798SS**  cis-165.3148.42.4-80.20000111.4
217E36.3Very low34.1Very low164 Ų164154.1 Ų154.177%0.76679%0.787SS**  trans66.7119.2149.2-56-81106.600121.7
218L41Very low33.8Very low151 Ų151149.8 Ų149.879%0.79178%0.777SS**  trans32.5119.3134.3-63.7162.5000121.3
219S27.6Very low33.5Very low125 Ų125154.1 Ų154.187%0.87478%0.777SS**  -174.4161.5124.740.10000113.3
220C38Very low33.3Very low109 Ų109149 Ų14974%0.73677%0.765SS**  trans-81.4168.1-179-51.50000112.8
221F37.7Very low33.3Very low202 Ų202150.2 Ų150.289%0.88677%0.766SS**  trans36117.7159.9-62-76.8000118.6
222D29.4Very low33.3Very low162 Ų162153.8 Ų153.887%0.86677%0.769SS**  -172.8-179.996.4-141.2-28.6000112.4
223R31.3Very low33.3Very low220 Ų220150.1 Ų150.183%0.8377%0.768SS**  trans-92.1-154.6178.2-149.9-166.9171.8151.7-1.7109.9
224P56.8Low33.3Very low97 Ų97144.4 Ų144.463%0.6376%0.761SS**  -98-173.5-87.524.8-3.9000114.6
225Q30.3Very low33.3Very low160 Ų160142.2 Ų142.275%0.74876%0.757SS**  127.4142.1127.4-97-171-1100119.4
226L28.1Very low33.1Very low134 Ų134148.2 Ų148.270%0.70277%0.771SS**  trans60.8114.5148.1-64.4164.1000118.6
227H26Very low32.9Very low128 Ų128148.5 Ų148.559%0.59377%0.772SS**  8210461.1178.798.7000114.2
228Q29.1Very low32.5Very low157 Ų157152.1 Ų152.173%0.73478%0.779SS**  -174.8131121.4-119.8139.437.600114.9
229Y29.7Very low31.8Very low201 Ų201156.5 Ų156.579%0.78879%0.785SS**  trans50.8146.5133.2-78.9-118.1000121.9
230A30.1Very low31.8Very low68 Ų68157.8 Ų157.856%0.56278%0.782SS**  cis-172.2-173.9-7.700000112.9
231H30.9Very low31.5Very low185 Ų185158.4 Ų158.486%0.85679%0.787SS**  trans86.699176.2-60.6-83.1000115.5
232R33.8Very low31.1Very low239 Ų239152.6 Ų152.690%0.90278%0.776SS**  cis101.4101.118.5-152-163.5-146.6-16511.8115.9
233A31.5Very low31.3Very low100 Ų100153.2 Ų153.283%0.82677%0.774SS**  trans-165.2152141.500000105.8
234C29.2Very low31.3Very low112 Ų112149 Ų14976%0.75777%0.773SS**  cis-146.6165.1-9.1-174.20000105.7
235C34.3Very low30.4Very low110 Ų110150.9 Ų150.974%0.74379%0.787SS**  cis-144175.210.3-58.50000111.4
236Q31.6Very low30.6Very low176 Ų176146.6 Ų146.682%0.82279%0.786SS**  trans-77.9159.6175.9-69.4158.3-28.600111
237C29Very low31.7Very low118 Ų118146.3 Ų146.380%0.79779%0.792SS**  -151.1132.552.7-74.50000111.2
238R27.3Very low32Very low240 Ų240147.1 Ų147.191%0.90681%0.805SS**  76.395.875.3-167.5-170.8-177.3-171.21.7115.4
239R26.8Very low32.5Very low244 Ų244147.4 Ų147.492%0.92181%0.806SS**  trans-159.8129.2131.8-130.5-177.8-164.51180.2110
240D27.9Very low32.7Very low152 Ų152146.2 Ų146.281%0.81381%0.813SS**  trans-112.9158.2171.7-88.3-55.6000110
241S30.8Very low32.8Very low122 Ų122150.6 Ų150.685%0.85383%0.826SS**  trans57.3136.2166.662.30000117.7
242A30.1Very low33Very low79 Ų79147.1 Ų147.165%0.65382%0.82SS**  cis-161.8149.439.700000113.7
243Q33Very low32.8Very low175 Ų175141.1 Ų141.182%0.81882%0.815SS**  trans48.9153.8137.3-76.8162.7-32.200124.5
244T30.7Very low32.7Very low132 Ų132144.6 Ų144.681%0.8182%0.818SS**  trans76100.5151.635.70000121.2
245C37.2Very low32.5Very low137 Ų137144.6 Ų144.693%0.92682%0.818SS**  43.5115.1118.9-149.50000119.9
246G34.7Very low32.3Very low70 Ų70145.1 Ų145.172%0.72282%0.822SS**  trans166.9133.1164.500000112.5
247P52Low32.2Very low128 Ų128143.1 Ų143.183%0.83182%0.817SS**  trans-96.5138.6-172.835.7-32.7000113.4
248V32.5Very low32.3Very low144 Ų144145.5 Ų145.587%0.87381%0.814SS**  trans-141.9136.4159.1-175.40000110
249H38.7Very low32.4Very low163 Ų163138.3 Ų138.376%0.75581%0.806SS**  trans-73147.3-179.1-67.6-116000113.4
250L33.8Very low32.6Very low177 Ų177132.9 Ų132.993%0.92780%0.804SS**  trans-142.1147134.8-77.2-174.9000109.5
251L32.2Very low32.5Very low159 Ų159131 Ų13183%0.83280%0.802SS**PPolyproline II helixtrans-75.7154.1-168.8-10767000113.8
252P35.7Very low33.1Very low112 Ų112130.9 Ų130.973%0.72780%0.798SS**PPolyproline II helixtrans-90.8158.2-172.6-0.921.7000114L254P252-L254 PolarHBondContact O-N 3.18Å
253S29.3Very low33.1Very low114 Ų114133.5 Ų133.580%0.79780%0.802SS**PPolyproline II helixtrans-61.812616051.70000111.2
254L29.9Very low32.8Very low173 Ų173135.4 Ų135.491%0.90680%0.801SS**PPolyproline II helixtrans-76.5122.3175-93.7126.8000112P252P252-L254 PolarHBondContact O-N 3.18Å
255C25.8Very low32.7Very low111 Ų111133.2 Ų133.275%0.7580%0.797SS**  trans-112.6153.2156.1-83.60000109.5
256C29.2Very low32.3Very low121 Ų121132.7 Ų132.782%0.81879%0.789SS**  trans73.2102.7161.7-58.50000119.3
257D30.1Very low32Very low134 Ų134136.2 Ų136.272%0.71780%0.796SS**  50.5141105.9-157.526.2000121.4
258K30.1Very low30.8Very low169 Ų169133 Ų13374%0.73579%0.786SS**  trans73.9111.2163.3-86.9160.8-173.2143.10122.6
259A30.9Very low30.6Very low89 Ų89133 Ų13374%0.73679%0.791SS**  65.9103.6124.400000119.9
260C29.4Very low30.2Very low130 Ų130128.4 Ų128.488%0.87879%0.788SS**  176.1144.8103.1-93.60000111.7
261S26.3Very low30.2Very low112 Ų112127.1 Ų127.178%0.78379%0.787SS**  trans-78.2-179.8164.3-38.50000110.2
262P43.2Very low29.9Very low119 Ų119127.8 Ų127.877%0.77379%0.786SS**  cis-136.6-177.5-538.3-18.7000115.4
263D29.7Very low29.7Very low135 Ų135128 Ų12872%0.72279%0.79SS**  trans92.7139.1138.3-137.34.2000122.9
264R28Very low29.7Very low215 Ų215127.2 Ų127.281%0.81179%0.791SS**  trans56.3121.9155.1-90.8166.1-179.5-159.7-1.1124.7
265A28.3Very low29.8Very low86 Ų86123.3 Ų123.371%0.71178%0.783SS**  75.2148.2126.700000118.1
266T27.5Very low30Very low126 Ų126123.8 Ų123.877%0.77379%0.788SS**  cis-167.5171.2-9.817.80000107.9
267V30Very low29.9Very low144 Ų144125.8 Ų125.887%0.87379%0.789SS**  trans73.9134.7168.1-163.60000114.5
268G26Very low29.9Very low59 Ų59128.7 Ų128.761%0.60880%0.799SS**  cis152.9156.7-4.400000111.9
269C29.3Very low29.7Very low144 Ų144124.4 Ų124.497%0.97380%0.795SS**  trans67.8137.4-175.8-53.70000114
270G29.1Very low29.7Very low68 Ų68131.2 Ų131.270%0.70180%0.802SS**  cis150.8133.58.800000105.3
271V33.6Very low29.6Very low150 Ų150132.5 Ų132.591%0.90980%0.8SS**  -158.3158.573169.60000109.6
272H27.1Very low29.8Very low172 Ų172132 Ų13280%0.79680%0.803SS**  trans-93.5154.4-169-63.5-99.1000116.5
273S29.9Very low29Very low116 Ų116129.8 Ų129.881%0.81180%0.801SS**  -170.4109.7129.9-750000107.5
274A31Very low29.6Very low99 Ų99129.2 Ų129.282%0.81881%0.805SS**  62.4126.57800000113
275A31.3Very low29.8Very low91 Ų91124 Ų12475%0.75281%0.808SS**  cis-161.4-170.81.500000112.2
276S30.2Very low29.8Very low121 Ų121123.4 Ų123.485%0.84681%0.809SS**  trans74.4113.1-17776.30000115.1
277L26.3Very low30.1Very low162 Ų162127.2 Ų127.285%0.84882%0.818SS**  cis96.169.614.2-145.8174.1000116
278Q30.1Very low30.2Very low195 Ų195129.1 Ų129.191%0.91182%0.82SS**  trans-167145.8141.8-111.4-179.3-8.500108.8
279A27.2Very low30.8Very low80 Ų80131.6 Ų131.666%0.66182%0.823SS**  cis-179.7119.9-33.200000106.4
280R30.1Very low31.3Very low232 Ų232130.7 Ų130.788%0.87582%0.815SS**  trans63119.3171.4-63.8-178.9174.8174.8-1.9117.1
281N28.5Very low31.5Very low156 Ų156132.4 Ų132.483%0.83481%0.813SS**  71.8101.356.5-62.5-14.4000114.2
282A30.3Very low31.2Very low103 Ų103133.9 Ų133.985%0.85181%0.807SS**  -177112.9118.100000111.6
283G26.1Very low31.5Very low71 Ų71136.1 Ų136.173%0.73282%0.815SS**  trans-88.6-166.8141.800000109.3
284P42.2Very low31.4Very low124 Ų124133.7 Ų133.781%0.80581%0.808SS**  cis-139.6-179.816.242.5-25.1000115.9
285A32.2Very low31.3Very low106 Ų106134.5 Ų134.588%0.87681%0.808SS**  trans47.3146.6146.900000121.4
286G28.8Very low31.1Very low72 Ų72137.3 Ų137.374%0.74281%0.81SS**  cis-130-162.1-11.300000109.1
287E32.2Very low31.1Very low206 Ų206137.7 Ų137.796%0.96381%0.807SS**  cis-146.3-168.625.7-69.8-172.6133.400112.4
288M33.7Very low31.5Very low185 Ų185140.1 Ų140.191%0.91181%0.805SS**  trans-90.9150.8-156.1-163.1164.8-178.600114.6
289V38.3Very low31.4Very low111 Ų111135.7 Ų135.767%0.67380%0.795SS**  trans-68164.6173.3-153.60000110.8
290P38.9Very low31.5Very low124 Ų124138.9 Ų138.981%0.80580%0.8SS**  -132.9145.4110.237.4-30.4000114.9
291T33.2Very low31.5Very low105 Ų105133.9 Ų133.964%0.64480%0.799SS**  trans-82163.3180-40.10000111.4
292F28.8Very low31.6Very low181 Ų181128.9 Ų128.979%0.79479%0.785SS**  trans76.5112.3170.6-64-85.3000118
293F32.4Very low31.9Very low218 Ų218133.1 Ų133.196%0.95679%0.787SS**  -133.6142.5121.1-101.6-80.5000109.7
294G28.8Very low32.1Very low65 Ų65139 Ų13967%0.6779%0.792SS**  trans-76.9153.4-169.400000114.3L296G294-L296 PolarHBondContact O-N 3.04Å; G294-L296 VanDerWaalsContact O-N 3.16Å
295S27.5Very low31.8Very low117 Ų117138.9 Ų138.982%0.81879%0.794SS**  trans-57.7112.3175.1-48.30000111.7T297S295-T297 PolarHBondContact O-N 3.27Å
296L28.6Very low32Very low150 Ų150140.6 Ų140.679%0.78579%0.789SS**  trans-89.683.2172.9-156.481.8000110.3G294 R298G294-L296 PolarHBondContact O-N 3.04Å; G294-L296 VanDerWaalsContact O-N 3.16Å; L296-R298 PolarHBondContact O-N 3.23Å
297T30.2Very low32.6Very low129 Ų129141.8 Ų141.879%0.79179%0.792SS**  trans-69.592.5176.4-44.80000110.5S295 S299S295-T297 PolarHBondContact O-N 3.27Å; T297-S299 PolarHBondContact O-N 3.16Å
298R33.2Very low32.8Very low213 Ų213143.4 Ų143.480%0.80479%0.789SS**  trans-86.491.7169.1-99.3-175175.4169.6-0.1110.9L296L296-R298 PolarHBondContact O-N 3.23Å
299S28.3Very low33Very low101 Ų101140 Ų14071%0.70678%0.781SS**  trans-74.8119.7157.91700000109.5T297T297-S299 PolarHBondContact O-N 3.16Å
300I29.8Very low32.8Very low147 Ų147142.8 Ų142.875%0.75479%0.791SS**  trans-141.3110.2157.9-61.4-174.8000108.4
301C29.4Very low32.4Very low127 Ų127144.8 Ų144.886%0.85879%0.792SS**  trans-82.2148.3153.3-69.70000108.8
302G31.3Very low32.5Very low52 Ų52148.7 Ų148.754%0.53680%0.803SS.*  trans170.953.7177.800000116.4F304G302-F304 VanDerWaalsContact O-CD2 3.31Å; G302-F304 WeakPolarHBondContact O-CD2 3.47Å; G302-F304 WeakPolarHBondContact O-CE2 3.14Å
303E36.2Very low32.8Very low192 Ų192146.8 Ų146.890%0.89780%0.801SS**  trans5115142.9-168.4166.6-12900117.9
304F29.5Very low33.1Very low194 Ų194141.9 Ų141.985%0.85179%0.791SS**  trans-135149.6157.6-72.7-72.2000111G302G302-F304 VanDerWaalsContact O-CD2 3.31Å; G302-F304 WeakPolarHBondContact O-CD2 3.47Å; G302-F304 WeakPolarHBondContact O-CE2 3.14Å
305S35.7Very low33.4Very low121 Ų121147.8 Ų147.885%0.84680%0.803SS**PPolyproline II helixtrans-102.4117.2-170.6175.90000110.5
306D38Very low33.5Very low143 Ų143146 Ų14677%0.76580%0.803SS**PPolyproline II helixtrans-87.7117.9180-69.1-38.5000112.8
307A39.9Very low33.7Very low97 Ų97142 Ų14280%0.80280%0.799SS**PPolyproline II helixtrans-93.5120.4161.800000109.1
308W37.3Very low33.9Very low239 Ų239143.8 Ų143.891%0.90580%0.803SS**PPolyproline II helixtrans-76.8134.3-177.2-71.683.1000113.2
309P37.8Very low34.3Very low114 Ų114141.2 Ų141.274%0.7481%0.806SS**PPolyproline II helixtrans-93.3143.9151.927.3-15.5000111.2
310L34.3Very low34.6Very low169 Ų169144.4 Ų144.489%0.88581%0.813SS**PPolyproline II helixtrans-74.9148.2-171.2-66.1162.9000113.5
311M30.4Very low34.8Very low167 Ų167141.8 Ų141.882%0.82381%0.808SS**PPolyproline II helixtrans-55.4134.7168.8-82.8155.747.400112.2
312Q35.3Very low34.7Very low186 Ų186144.9 Ų144.987%0.86981%0.807SS**  trans-111.3125.2158.5-68.4-176.29.700108.8
313N36.1Very low34.6Very low141 Ų141146.7 Ų146.775%0.75481%0.81SS**  trans-83.1136.3173.9-67.9-49000109.8
314P37.3Very low34.3Very low115 Ų115144.1 Ų144.175%0.74780%0.803SS**  trans-88.4126.2173.933.4-30.4000110.6
315M35.3Very low34.3Very low190 Ų190140.2 Ų140.294%0.93680%0.8SS**  trans-146.2127.1158.9-158.3110.5-54.800108.8
316G30.7Very low34.3Very low79 Ų79144.1 Ų144.181%0.81480%0.797SS**  trans-144.4151.6-179.600000111.4
317G31.2Very low34.5Very low67 Ų67143.1 Ų143.169%0.69180%0.799SS**  trans112.5125.4-168.700000110.2
318D34.9Very low34.2Very low165 Ų165145.8 Ų145.888%0.88279%0.794SS**  cis-144.3168.79.3-75.1-45.2000113.3
319N40.8Very low34.3Very low160 Ų160141.9 Ų141.986%0.85679%0.791SS**  trans-92.3128.1-171.6-60.5-59.8000114.7
320I36.2Very low33.9Very low168 Ų168143.4 Ų143.486%0.86280%0.798SS**  trans-154.3102.6147.9-39.2173.8000106.8
321S32.8Very low33.9Very low92 Ų92138 Ų13864%0.64378%0.783SS**  77.381.765.7-169.70000116.3
322F28.1Very low33.9Very low191 Ų191138 Ų13884%0.83878%0.781SS**  170.9144.7113.1-106.9-77.2000115.6
323C29.3Very low33.7Very low91 Ų91135 Ų13562%0.61577%0.771SS**  trans14134.5158.7-76.40000125.1
324D28.8Very low33.8Very low138 Ų138135 Ų13574%0.73877%0.769SS**  47.9112.4127.2-54.6-50.6000120.9
325S29.8Very low33.4Very low112 Ų112137.3 Ų137.378%0.78378%0.775SS**  169.1133.3103.4-70.20000111.3
326Y36.5Very low33.3Very low203 Ų203133.1 Ų133.180%0.79676%0.764SS**  trans-66.5145.8155-102.9-107.6000108.6
327P40.9Very low33.2Very low122 Ų122137.8 Ų137.879%0.79277%0.769SS**  -135.3135.6111.434.7-24.4000112.9
328E33.9Very low33.1Very low153 Ų153139.7 Ų139.772%0.71577%0.772SS**  trans-87.8146.7161.8-120177.914400109.3
329L39.2Very low33.6Very low157 Ų157136.9 Ų136.982%0.82276%0.763SS**  trans76.6117.3164.2-56.1167.9000119.7
330T30.5Very low33.1Very low145 Ų145137.4 Ų137.489%0.8976%0.76SS**  trans-178.8136.3148.415.40000106.5
331G33.8Very low32.8Very low56 Ų56136.5 Ų136.558%0.57775%0.752SS**  cis-139.3164.2-11.900000109.8
332E31.7Very low32.7Very low166 Ų166138.2 Ų138.278%0.77675%0.754SS**  79.7132.786-70.3172.4130.100112.1
333D30.6Very low32.9Very low124 Ų124133.9 Ų133.966%0.66375%0.747SS**  cis-153.2139.513-104.6-33.9000117.3
334I36.8Very low33Very low141 Ų141134 Ų13472%0.72375%0.75SS**  21133.2125.2-62.1-175.6000122.5
335L30.4Very low33Very low163 Ų163134 Ų13485%0.85375%0.754SS**  trans81.9143.6151.8-81.6166.3000123.4
336S33.2Very low32.9Very low103 Ų103133.4 Ų133.472%0.7275%0.75SS**  trans-73.4140.4-179.9-39.90000113.8
337L29Very low32.7Very low176 Ų176131.6 Ų131.692%0.92175%0.753SS**  trans-176.8150130-97.6160.9000110.3
338S28.6Very low32.2Very low108 Ų108130.5 Ų130.576%0.75576%0.755SS**  trans-86.2171.7165.2-134.40000108.9
339P44.4Very low31.9Very low105 Ų105128.4 Ų128.468%0.68276%0.757SS**  cis-147.7-168.511.939-15000116.9
340E31.2Very low31.6Very low171 Ų171128.2 Ų128.280%0.79976%0.757SS**  trans77.6141.2151.9-59.8-159120.700125.1
341H29.2Very low31.7Very low150 Ų150126.1 Ų126.169%0.69475%0.748SS**  trans74.4105.6149.3-97.4-79.3000123.8
342D30.6Very low31.8Very low128 Ų128128 Ų12868%0.68475%0.752SS**  56126.6125.4-72.2-4.6000125.1
343S31.6Very low32.3Very low99 Ų99127.8 Ų127.869%0.69275%0.751SS**  87.794126.772.90000122.1
344S31.4Very low32.3Very low95 Ų95129 Ų12966%0.66476%0.758SS**  80.8142.1111.978.20000123.2
345T28.8Very low32.5Very low136 Ų136128.9 Ų128.983%0.83476%0.758SS**  trans73.4152.2161.680.20000116.6
346S29.2Very low32.6Very low100 Ų100128 Ų12870%0.69976%0.759SS**  cis-152.3148.712.9540000114.5
347L32.8Very low32.5Very low165 Ų165126.7 Ų126.786%0.86476%0.762SS**  trans37.1125.8139.6-70.1153.7000122.4
348A28.6Very low32.5Very low100 Ų100122.1 Ų122.183%0.82676%0.758SS**  trans-106.2151.6150.500000110.2
349S29.3Very low32.5Very low108 Ų108122 Ų12276%0.75576%0.763SS**  trans-119.6130.5-174.7-74.20000114
350N31.9Very low32Very low153 Ų153123.5 Ų123.582%0.81877%0.77SS**  trans30.6128.4138.7-69-8.6000120.7
351S32.1Very low32.6Very low101 Ų101120.5 Ų120.571%0.70677%0.765SS**  69.4127.466.1-168.60000112
352S36.6Very low32.5Very low95 Ų95121.1 Ų121.166%0.66477%0.772SS**  -166.2147.253.549.10000112.4
353Q41.8Very low32.3Very low162 Ų162123.7 Ų123.776%0.75778%0.78SS**  65.2139.3106.1-56.7-177.5-19.600116.3
354D30.6Very low32.3Very low149 Ų149122.6 Ų122.680%0.79778%0.777SS**  -150.5-170.858.1-74.7-39.8000113.4
355L40.8Very low32.4Very low140 Ų140126.1 Ų126.173%0.73378%0.783SS**  -168-179.9-68.4-125.2174.9000109.7
356V32.1Very low32.4Very low144 Ų144125.3 Ų125.387%0.87378%0.782SS**  trans83.2124.8176.9-169.80000115.9
357G32.4Very low32.7Very low75 Ų75127.1 Ų127.177%0.77378%0.78SS**  cis162.2140.9-10.800000113.3
358G29.1Very low32.7Very low81 Ų81124.2 Ų124.284%0.83577%0.765SS**  trans138.2120.2161.800000118.3
359A29.1Very low32.7Very low106 Ų106127.8 Ų127.888%0.87676%0.762SS**  trans96.4135.6163.700000119.3
360V33.3Very low32.7Very low135 Ų135130 Ų13082%0.81877%0.771SS**  trans-134.9161.8-168.2-150.80000104.4
361P42.8Very low32.7Very low109 Ų109127.3 Ų127.371%0.70877%0.77SS**  cis-155.2177.833.343.8-20.3000121.8
362I28Very low32.5Very low163 Ų163127.3 Ų127.384%0.83678%0.776SS**  trans83.1122.6160.8-44.9-169.6000118.2
363Q27.1Very low32.2Very low181 Ų181126.8 Ų126.885%0.84678%0.778SS**  trans-133.3134.3179176.5174.810.900111.8
364A30.7Very low31.6Very low76 Ų76126.8 Ų126.863%0.62878%0.783SS**  trans38.3138.8146.200000125.1
365H34Very low31.6Very low170 Ų170127.1 Ų127.179%0.78778%0.784SS**  25.3145.5129.6-74.6-98.3000122.9E367H365-E367 IonicContact ND1-OE1 2.69Å
366S27.9Very low30.9Very low118 Ų118126 Ų12683%0.82579%0.788SS**  trans-149.9157.4146.3-165.60000112.3
367E35.6Very low30.9Very low139 Ų139129.7 Ų129.765%0.6579%0.786SS**  trans-151.3173-174.7-38.4-172.5173.300109.1H365H365-E367 IonicContact ND1-OE1 2.69Å
368N32.6Very low30.6Very low104 Ų104130.9 Ų130.956%0.55678%0.781SS**  cis-156.3175.92-147-41.1000110.6
369F30.1Very low30.6Very low175 Ų175134.5 Ų134.577%0.76878%0.781SS**  trans55.3124.3155.9-66.7-58.9000122.1
370T27.7Very low30.6Very low154 Ų154136.1 Ų136.195%0.94578%0.776SS**  -151.7160.5111.4-5.90000111.1
371A31.9Very low30.4Very low96 Ų96136 Ų13679%0.79378%0.775SS**  trans-101.6155.8-160.500000115.6
372A28.8Very low29.7Very low101 Ų101138.6 Ų138.684%0.83578%0.782SS**  trans-163160.5148.800000111
373A30.9Very low29.7Very low84 Ų84135.6 Ų135.669%0.69478%0.782SS**  trans-69.1173.8173.800000111.2
374D27.4Very low29.8Very low162 Ų162134.8 Ų134.887%0.86678%0.778SS**  cis-162.1174.737.1-129.1-41.3000114
375L31.4Very low30.3Very low156 Ų156136.7 Ų136.782%0.81778%0.784SS**  trans-96.1169.8-173.1-145.698000114.1
376S27.1Very low30Very low116 Ų116132.2 Ų132.281%0.81178%0.776SS**  trans101.8178.914687.80000119.8
377R30.4Very low30Very low223 Ų223131.7 Ų131.784%0.84277%0.772SS**  trans-151.6145.2-137.1159.7-169-74-170.9-1.6110.6
378C26.9Very low29.7Very low100 Ų100130.9 Ų130.968%0.67678%0.777SS**  trans66130.1166.5-71.90000118.5
379N28.8Very low29.7Very low156 Ų156133.6 Ų133.683%0.83479%0.786SS**  -160.9161.8104.3-102.5-24000113.5
380N28.9Very low29.6Very low141 Ų141132.2 Ų132.275%0.75479%0.787SS**  trans-82.2166-175.3-50.5-45.8000112.3
381T28.5Very low29.7Very low131 Ų131128.9 Ų128.980%0.80478%0.776SS**  163.2120.9114.3-65.20000113.5
382L28.9Very low30.4Very low165 Ų165129.6 Ų129.686%0.86477%0.772SS**  trans43.5118.7145.1-164.570.8000122.4
383A28Very low30.4Very low99 Ų99130.3 Ų130.382%0.81877%0.766SS**  trans-163.5135.5130.900000111.4
384E30Very low30.4Very low165 Ų165131.9 Ų131.977%0.77177%0.767SS**  trans-85.6169.2170.2-141.8-153.6112.500110A386E384-A386 PolarHBondContact OE1-N 3.15Å
385P40.8Very low30.5Very low115 Ų115134.7 Ų134.775%0.74777%0.766SS**  -152.7163.271.640.1-20.1000118.6
386A28.2Very low30.3Very low76 Ų76131.8 Ų131.863%0.62876%0.758SS**  trans64.1120.4142.300000119.2E384E384-A386 PolarHBondContact OE1-N 3.15Å
387S27Very low30.5Very low107 Ų107133.7 Ų133.775%0.74875%0.754SS**  cis95.2100.148.5174.20000114.5
388T28.8Very low30.5Very low122 Ų122129.1 Ų129.175%0.74875%0.746SS**  trans-172.8124.3131.230.50000106.3
389Q33Very low30.6Very low161 Ų161130.3 Ų130.375%0.75275%0.745SS**  53.7124.278.2-76-176.5-20.900111.8
390D28.9Very low30.8Very low146 Ų146130.3 Ų130.378%0.78174%0.74SS**  cis-149.4168.623-88.5-44.7000114.7
391A29.6Very low30.8Very low85 Ų85131.1 Ų131.170%0.70274%0.74SS**  trans-113-175.9160.200000107.9
392P46.8Very low30.9Very low111 Ų111130.8 Ų130.872%0.72174%0.743SS**  cis-151.2-173.48.949.6-29.9000117.1
393T28.6Very low30.8Very low116 Ų116126.7 Ų126.771%0.71274%0.74SS**  trans49.8132.7147.3-9.40000126.4
394T29.9Very low31.1Very low116 Ų116126.3 Ų126.371%0.71274%0.737SS**  trans92.5117.1132.120.30000124.6
395R29.6Very low31.2Very low222 Ų222124.9 Ų124.984%0.83874%0.739SS**  89.7136.8118.7-149.1176.3-170.4154.32.9121.3
396S27.3Very low30.9Very low94 Ų94125.7 Ų125.766%0.65774%0.736SS**  trans71.3149.2155.8-104.30000116.2
397Q32.3Very low31.1Very low157 Ų157131.8 Ų131.873%0.73475%0.751SS**  cis-164.1157.9-4.1-144.8175.5-9.100110.8
398L29.8Very low31.3Very low127 Ų127130.5 Ų130.567%0.66575%0.747SS**  trans75.9158.3139.2-12671.3000122.4
399D29Very low31.5Very low124 Ų124129 Ų12966%0.66375%0.747SS**  trans65.4125.7165.6-52.7-34.7000119
400Q32.2Very low31.4Very low156 Ų156127.5 Ų127.573%0.72975%0.749SS**  cis109118.824.1179.915813.700112.6
401E30.6Very low31.6Very low158 Ų158129.3 Ų129.374%0.73875%0.753SS**  trans85.1123.3151.8-140.3133.9122.600122.6
402S29.1Very low31.9Very low124 Ų124131.6 Ų131.687%0.86776%0.758SS**  trans65136.8138.5-160.20000121.8
403G28.5Very low31.3Very low79 Ų79132.1 Ų132.181%0.81477%0.765SS**  trans166.273.7171.700000113.6
404A33.1Very low31.9Very low91 Ų91133.5 Ų133.575%0.75277%0.767SS**  trans-95.2137.1177.700000112.9
405V33.1Very low32.4Very low135 Ų135135 Ų13582%0.81877%0.766SS**  trans-145.197162.1-176.70000106.3
406I34.5Very low32.7Very low133 Ų133132.4 Ų132.468%0.68276%0.763SS**  57.8108.888.3-58.5-178.6000114.1
407H31.3Very low33.2Very low203 Ų203136.4 Ų136.494%0.9480%0.802SS**  -135.8137.5129.4-102.7-81.2000108.2
408A31.6Very low33.2Very low81 Ų81135.4 Ų135.467%0.66981%0.805SS**  trans-129.4155.9-165.700000112.7
409A32.2Very low33.4Very low90 Ų90135.8 Ų135.874%0.74481%0.813SS**  trans62.4148.9160.500000116.7
410T31.4Very low33.7Very low130 Ų130136.4 Ų136.480%0.79882%0.821SS**  cis-144112.930.8-52.20000108.9
411Q33.3Very low33.7Very low183 Ų183135.3 Ų135.386%0.85583%0.826SS**  60.9120.185.3-111.1-177.5500116.6
412T36.5Very low33.9Very low133 Ų133133.9 Ų133.982%0.81683%0.832SS**  trans-78.1160.9169360000112.3
413S34.4Very low34.3Very low123 Ų123134.5 Ų134.586%0.8683%0.829SS**  trans-136.4146.9155.959.40000111
414L40.7Very low34.7Very low145 Ų145138.5 Ų138.576%0.75983%0.831SS**  trans-95141.6-170.7-121.783.1000112.1
415Q39.8Very low34.8Very low146 Ų146142.2 Ų142.268%0.68284%0.837SS**  66147123.7-165.5164-38.700123.2
416E35.8Very low34.9Very low169 Ų169142.8 Ų142.879%0.7984%0.838SS**  trans79.198.4158.2-95.5164.8123.200121
417A37.8Very low35Very low177 Ų177143.6 Ų143.6100%1.46385%0.852SS**  -158.3012600000109.8

Retrieved 417 of 417 residues in 570.4 ms (Link to these results)