A0A087WY99_HUMAN Loading...

5-oxoprolinase, ATP-hydrolysing

AlphaFold DB , UniProt , Accession A0A087WY99, Species HUMAN (Homo sapiens, Human), Gene OPLAH, Length 253 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
1M56.5Low70.4Confident225 Ų225120.2 Ų120.2100%1.10864%0.638SS**  0-29.60-71.8-79.5-107.600113.3
2S66.4Low71.1Confident92 Ų92120.4 Ų120.464%0.64363%0.632SS**Hα-helixtrans-80.8-33.4-177.267.90000115.8L4 S5 S6S2-L4 PolarHBondContact O-N 3.24Å; S2-S5 PolarHBondContact O-N 3.47Å; S2-S6 PolarHBondContact O-N 3.32Å; S2-S6 PolarHBondContact O-OG 3.04Å
3L56.3Low71.5Confident150 Ų150117.7 Ų117.779%0.78561%0.614SS**Hα-helixtrans-66.9-36.1-176.7-78.7164.3000114.5S6 Y7L3-S6 PolarHBondContact O-N 3.25Å; L3-Y7 PolarHBondContact O-N 2.92Å; L3-Y7 VanDerWaalsContact O-N 3.12Å
4L60.5Low71.8Confident140 Ų140116.7 Ų116.773%0.73361%0.609SS**Hα-helixtrans-69.2-35.5177.7-91.4138.6000112.2S2 Y7 E8S2-L4 PolarHBondContact O-N 3.24Å; L4-Y7 PolarHBondContact O-N 2.81Å; L4-E8 PolarHBondContact O-N 2.9Å; L4-E8 VanDerWaalsContact O-N 3.09Å
5S71.1Confident71.8Confident89 Ų89115.7 Ų115.762%0.62260%0.6SS**Hα-helixtrans-68.9-38.3176.4-169.30000111.9S2 G9S2-S5 PolarHBondContact O-N 3.47Å; S5-G9 PolarHBondContact O-N 2.93Å; S5-G9 VanDerWaalsContact O-N 3.09Å
6S75.4Confident72.7Confident76 Ų76117.1 Ų117.153%0.53160%0.595SS.*Hα-helixtrans-66.6-37.8175-63.10000112.1S2 L3 G9 L10S2-S6 PolarHBondContact O-N 3.32Å; S2-S6 PolarHBondContact O-OG 3.04Å; L3-S6 PolarHBondContact O-N 3.25Å; S6-G9 PolarHBondContact O-N 2.72Å; S6-L10 PolarHBondContact O-N 2.6Å
7Y79.2Confident72.7Confident177 Ų177114.7 Ų114.769%0.69458%0.583SS**Hα-helixtrans-69.6-40.3178.7-157.7-91.5000112.6L3 L4 L10 R11L3-Y7 PolarHBondContact O-N 2.92Å; L3-Y7 VanDerWaalsContact O-N 3.12Å; L4-Y7 PolarHBondContact O-N 2.81Å; Y7-L10 PolarHBondContact O-N 3.41Å; Y7-R11 WeakPolarHBondContact O-CB 3.23Å; Y7-R11 PolarHBondContact O-N 3.01Å
8E78.1Confident72.5Confident90 Ų90111.5 Ų111.542%0.42158%0.577SS.*Hα-helixtrans-65.8-39.5173.8-77.7-66.7162.800112.3L4 R11 Q12L4-E8 PolarHBondContact O-N 2.9Å; L4-E8 VanDerWaalsContact O-N 3.09Å; E8-R11 PolarHBondContact O-N 3.16Å; E8-Q12 WeakPolarHBondContact O-CG 3.37Å; E8-Q12 PolarHBondContact O-N 3.4Å
9G81.9Confident73Confident37 Ų37111.8 Ų111.838%0.38158%0.576SS.*Hα-helixtrans-61.3-45.1174.300000112.4S5 S6 R11 Q12 E13S5-G9 PolarHBondContact O-N 2.93Å; S5-G9 VanDerWaalsContact O-N 3.09Å; S6-G9 PolarHBondContact O-N 2.72Å; G9-R11 VanDerWaalsContact C-N 3.32Å; G9-R11 PolarHBondContact O-N 3.12Å; G9-Q12 PolarHBondContact O-N 3.33Å; G9-E13 PolarHBondContact O-N 3.47Å
10L74.6Confident73.4Confident114 Ų114110 Ų11060%0.59756%0.564SS**Hα-helixtrans-63.5-38176.5-125.5119.8000112.2S6 Y7 E13 I14S6-L10 PolarHBondContact O-N 2.6Å; Y7-L10 PolarHBondContact O-N 3.41Å; L10-E13 PolarHBondContact O-N 3.32Å; L10-I14 HydrophobicContact CD2-CD1 4.06Å; L10-I14 WeakPolarHBondContact O-CB 3.4Å; L10-I14 VanDerWaalsContact O-CG1 3.26Å; L10-I14 WeakPolarHBondContact O-CG1 3.19Å; L10-I14 PolarHBondContact O-N 2.69Å
11R74.4Confident73.3Confident132 Ų132108.9 Ų108.950%0.49856%0.56SS.*Hα-helixtrans-64.3-42.5177.2-171.8-175.1-176.8-129-0.3111.8Y7 E8 G9 Q15Y7-R11 WeakPolarHBondContact O-CB 3.23Å; Y7-R11 PolarHBondContact O-N 3.01Å; E8-R11 PolarHBondContact O-N 3.16Å; G9-R11 VanDerWaalsContact C-N 3.32Å; G9-R11 PolarHBondContact O-N 3.12Å; R11-Q15 WeakPolarHBondContact O-CB 3.21Å; R11-Q15 VanDerWaalsContact O-CG 3.3Å; R11-Q15 WeakPolarHBondContact O-CG 3.34Å; R11-Q15 PolarHBondContact O-N 3.31Å
12Q79.4Confident74.6Confident123 Ų123103 Ų10358%0.57553%0.529SS*.Hα-helixtrans-65.4-40.8177.4-71.1174.312.400111.5E8 G9 Q15 R16E8-Q12 WeakPolarHBondContact O-CG 3.37Å; E8-Q12 PolarHBondContact O-N 3.4Å; G9-Q12 PolarHBondContact O-N 3.33Å; Q12-Q15 PolarHBondContact O-N 2.96Å; Q12-R16 WeakPolarHBondContact O-CB 3.44Å; Q12-R16 PolarHBondContact O-N 3.13Å
13E75.8Confident75.3Confident85 Ų85103.7 Ų103.740%0.39752%0.522SS..Hα-helixtrans-67-42.4177.6-167.560.6-161.500112G9 L10 Q15 R16 L17G9-E13 PolarHBondContact O-N 3.47Å; L10-E13 PolarHBondContact O-N 3.32Å; E13-Q15 VanDerWaalsContact C-N 3.31Å; E13-Q15 PolarHBondContact O-N 2.92Å; E13-R16 PolarHBondContact O-N 2.94Å; E13-L17 HydrophobicContact CG-CD1 4.3Å; E13-L17 WeakPolarHBondContact O-CB 3.43Å; E13-L17 WeakPolarHBondContact O-CG 3.3Å; E13-L17 PolarHBondContact O-N 2.86Å
14I75.8Confident75.8Confident104 Ų104101.2 Ų101.253%0.53351%0.509SS..Hα-helixtrans-60.9-41.7174-71.3167.8000111L10 L17 A18L10-I14 HydrophobicContact CD2-CD1 4.06Å; L10-I14 WeakPolarHBondContact O-CB 3.4Å; L10-I14 VanDerWaalsContact O-CG1 3.26Å; L10-I14 WeakPolarHBondContact O-CG1 3.19Å; L10-I14 PolarHBondContact O-N 2.69Å; I14-L17 PolarHBondContact O-N 2.84Å; I14-A18 VanDerWaalsContact O-CB 3.27Å; I14-A18 WeakPolarHBondContact O-CB 3.27Å; I14-A18 PolarHBondContact O-N 3.01Å
15Q71.3Confident76.3Confident102 Ų102103.7 Ų103.748%0.47751%0.509SS..Hα-helixtrans-66-40.3178.1-77.6179.9-25.500112.2R11 Q12 E13 A18 Q19R11-Q15 WeakPolarHBondContact O-CB 3.21Å; R11-Q15 VanDerWaalsContact O-CG 3.3Å; R11-Q15 WeakPolarHBondContact O-CG 3.34Å; R11-Q15 PolarHBondContact O-N 3.31Å; Q12-Q15 PolarHBondContact O-N 2.96Å; E13-Q15 VanDerWaalsContact C-N 3.31Å; E13-Q15 PolarHBondContact O-N 2.92Å; Q15-A18 PolarHBondContact O-N 3.49Å; Q15-Q19 PolarHBondContact O-N 3.42Å
16R86.3Confident76.7Confident137 Ų137106.4 Ų106.452%0.51751%0.506SS..Hα-helixtrans-62.2-50.5174.6-180-172.2165.1-172.7-3.1111.3Q12 E13 A18 Q19 E20Q12-R16 WeakPolarHBondContact O-CB 3.44Å; Q12-R16 PolarHBondContact O-N 3.13Å; E13-R16 PolarHBondContact O-N 2.94Å; R16-A18 VanDerWaalsContact C-N 3.28Å; R16-A18 PolarHBondContact O-N 3.23Å; R16-Q19 PolarHBondContact O-N 2.8Å; R16-Q19 VanDerWaalsContact O-N 3.09Å; R16-E20 IonicContact CZ-OE1 2.73Å; R16-E20 IonicContact NE-OE1 2.68Å; R16-E20 PolarHBondContact NE-OE1 3.44Å; R16-E20 IonicContact NH2-OE1 3.99Å; R16-E20 PolarHBondContact NH2-OE1 3.26Å; R16-E20 PolarHBondContact O-N 3.34Å
17L72.3Confident76.4Confident77 Ų77107.5 Ų107.540%0.40351%0.505SS..Hα-helixtrans-61.6-36.8177.8-72.7171000111.9E13 I14 Q19 N21E13-L17 HydrophobicContact CG-CD1 4.3Å; E13-L17 WeakPolarHBondContact O-CB 3.43Å; E13-L17 WeakPolarHBondContact O-CG 3.3Å; E13-L17 PolarHBondContact O-N 2.86Å; I14-L17 PolarHBondContact O-N 2.84Å; L17-Q19 VanDerWaalsContact C-N 3.33Å; L17-N21 VanDerWaalsContact O-CB 3.31Å; L17-N21 WeakPolarHBondContact O-CB 3.4Å; L17-N21 PolarHBondContact O-N 2.97Å; L17-N21 PolarHBondContact O-ND2 3.35Å
18A69.8Low76.1Confident57 Ų57103.3 Ų103.347%0.47150%0.498SS..Hα-helixtrans-63.9-40.2174.700000111.7I14 Q15 R16 N21 E22I14-A18 VanDerWaalsContact O-CB 3.27Å; I14-A18 WeakPolarHBondContact O-CB 3.27Å; I14-A18 PolarHBondContact O-N 3.01Å; Q15-A18 PolarHBondContact O-N 3.49Å; R16-A18 VanDerWaalsContact C-N 3.28Å; R16-A18 PolarHBondContact O-N 3.23Å; A18-N21 PolarHBondContact O-N 2.87Å; A18-E22 PolarHBondContact O-N 3.08Å
19Q81.8Confident75.8Confident117 Ų117104.3 Ų104.355%0.54750%0.502SS..Hα-helixtrans-70.7-43.8177.9-171.6171.4-17.600112.3Q15 R16 L17 N21 E22 E23Q15-Q19 PolarHBondContact O-N 3.42Å; R16-Q19 PolarHBondContact O-N 2.8Å; R16-Q19 VanDerWaalsContact O-N 3.09Å; L17-Q19 VanDerWaalsContact C-N 3.33Å; Q19-N21 VanDerWaalsContact C-N 3.29Å; Q19-N21 PolarHBondContact O-N 3.33Å; Q19-E22 WeakPolarHBondContact O-CB 3.39Å; Q19-E22 PolarHBondContact O-N 2.68Å; Q19-E22 VanDerWaalsContact O-N 3.08Å; Q19-E23 PolarHBondContact O-N 3.35Å
20E80.3Confident75.4Confident75 Ų75106.8 Ų106.835%0.3551%0.507SS..Hα-helixtrans-58.8-41.9173.5-75.3177.8-171.500110.9R16 E22 E23 L24R16-E20 IonicContact CZ-OE1 2.73Å; R16-E20 IonicContact NE-OE1 2.68Å; R16-E20 PolarHBondContact NE-OE1 3.44Å; R16-E20 IonicContact NH2-OE1 3.99Å; R16-E20 PolarHBondContact NH2-OE1 3.26Å; R16-E20 PolarHBondContact O-N 3.34Å; E20-E22 VanDerWaalsContact C-N 3.32Å; E20-E22 PolarHBondContact O-N 2.82Å; E20-E23 PolarHBondContact O-N 3.22Å; E20-L24 WeakPolarHBondContact O-CB 3.46Å; E20-L24 VanDerWaalsContact O-CG 3.24Å; E20-L24 WeakPolarHBondContact O-CG 3.24Å; E20-L24 PolarHBondContact O-N 2.76Å
21N71.8Confident75.4Confident87 Ų87106 Ų10647%0.46550%0.502SS..Hα-helixtrans-64.4-34.2174.7-82.8-57.4000113L17 A18 Q19 R25L17-N21 VanDerWaalsContact O-CB 3.31Å; L17-N21 WeakPolarHBondContact O-CB 3.4Å; L17-N21 PolarHBondContact O-N 2.97Å; L17-N21 PolarHBondContact O-ND2 3.35Å; A18-N21 PolarHBondContact O-N 2.87Å; Q19-N21 VanDerWaalsContact C-N 3.29Å; Q19-N21 PolarHBondContact O-N 3.33Å; N21-R25 WeakPolarHBondContact O-CB 3.25Å; N21-R25 WeakPolarHBondContact O-CG 3.4Å; N21-R25 PolarHBondContact O-N 2.95Å
22E84.8Confident75Confident101 Ų101105 Ų10547%0.47250%0.503SS..Hα-helixtrans-69.6-42.2175.4-161.6-172.6156.200111.6A18 Q19 E20 R25 R26A18-E22 PolarHBondContact O-N 3.08Å; Q19-E22 WeakPolarHBondContact O-CB 3.39Å; Q19-E22 PolarHBondContact O-N 2.68Å; Q19-E22 VanDerWaalsContact O-N 3.08Å; E20-E22 VanDerWaalsContact C-N 3.32Å; E20-E22 PolarHBondContact O-N 2.82Å; E22-R25 PolarHBondContact O-N 2.76Å; E22-R26 WeakPolarHBondContact O-CG 3.46Å; E22-R26 PolarHBondContact O-N 2.73Å; E22-R26 IonicContact OE1-CZ 2.7Å; E22-R26 IonicContact OE1-NE 3.44Å; E22-R26 IonicContact OE1-NH2 2.72Å; E22-R26 PolarHBondContact OE1-NH2 3.37Å
23E79.8Confident74.7Confident107 Ų107103.2 Ų103.250%0.550%0.495SS..Hα-helixtrans-65-42.3176.4-70.9-175.6-178.900112Q19 E20 R25 R26 L27Q19-E23 PolarHBondContact O-N 3.35Å; E20-E23 PolarHBondContact O-N 3.22Å; E23-R25 VanDerWaalsContact C-N 3.34Å; E23-R25 PolarHBondContact O-N 2.83Å; E23-R26 PolarHBondContact O-N 2.82Å; E23-L27 PolarHBondContact O-N 2.98Å
24L68.4Low74.2Confident98 Ų98103.6 Ų103.651%0.51350%0.499SS..Hα-helixtrans-61.3-42.5173.8-72.7171.3000111.6E20 R26 L27 V28E20-L24 WeakPolarHBondContact O-CB 3.46Å; E20-L24 VanDerWaalsContact O-CG 3.24Å; E20-L24 WeakPolarHBondContact O-CG 3.24Å; E20-L24 PolarHBondContact O-N 2.76Å; L24-R26 VanDerWaalsContact C-N 3.33Å; L24-R26 PolarHBondContact O-N 3.24Å; L24-L27 PolarHBondContact O-N 3.5Å; L24-V28 WeakPolarHBondContact O-CG2 3.11Å; L24-V28 PolarHBondContact O-N 3.45Å
25R69.8Low73.8Confident192 Ų192104.4 Ų104.473%0.72550%0.501SS*.Hα-helixtrans-61.5-39.9174.7-77.6172.8178.2-170.40.4112.1N21 E22 E23 V28 Q29N21-R25 WeakPolarHBondContact O-CB 3.25Å; N21-R25 WeakPolarHBondContact O-CG 3.4Å; N21-R25 PolarHBondContact O-N 2.95Å; E22-R25 PolarHBondContact O-N 2.76Å; E23-R25 VanDerWaalsContact C-N 3.34Å; E23-R25 PolarHBondContact O-N 2.83Å; R25-V28 PolarHBondContact O-N 2.9Å; R25-Q29 WeakPolarHBondContact O-CB 3.19Å; R25-Q29 PolarHBondContact O-N 2.94Å
26R80.2Confident73.9Confident146 Ų146105.4 Ų105.455%0.55151%0.505SS*.Hα-helixtrans-65.6-39.5174.5-72.1-178.9-168.3176.56.1112.3E22 E23 L24 Q29 L30E22-R26 WeakPolarHBondContact O-CG 3.46Å; E22-R26 PolarHBondContact O-N 2.73Å; E22-R26 IonicContact OE1-CZ 2.7Å; E22-R26 IonicContact OE1-NE 3.44Å; E22-R26 IonicContact OE1-NH2 2.72Å; E22-R26 PolarHBondContact OE1-NH2 3.37Å; E23-R26 PolarHBondContact O-N 2.82Å; L24-R26 VanDerWaalsContact C-N 3.33Å; L24-R26 PolarHBondContact O-N 3.24Å; R26-Q29 PolarHBondContact O-N 3.44Å; R26-L30 WeakPolarHBondContact O-CB 3.42Å; R26-L30 WeakPolarHBondContact O-CG 3.34Å; R26-L30 PolarHBondContact O-N 3.31Å
27L69.3Low73Confident99 Ų99103.9 Ų103.952%0.51851%0.507SS..Hα-helixtrans-64.1-44.1175.4-76.1171.3000111.8E23 L24 Q29 L30 I31E23-L27 PolarHBondContact O-N 2.98Å; L24-L27 PolarHBondContact O-N 3.5Å; L27-Q29 VanDerWaalsContact C-N 3.32Å; L27-Q29 PolarHBondContact O-N 3.45Å; L27-L30 PolarHBondContact O-N 2.96Å; L27-I31 VanDerWaalsContact O-CG1 3.27Å; L27-I31 WeakPolarHBondContact O-CG1 3.43Å; L27-I31 PolarHBondContact O-N 3.43Å
28V73.2Confident72.4Confident89 Ų89106.3 Ų106.354%0.53951%0.514SS..Hα-helixtrans-60.6-43.6174.81720000110.8L24 R25 I31 Q32L24-V28 WeakPolarHBondContact O-CG2 3.11Å; L24-V28 PolarHBondContact O-N 3.45Å; R25-V28 PolarHBondContact O-N 2.9Å; V28-I31 PolarHBondContact O-N 3.21Å; V28-Q32 PolarHBondContact O-N 3.29Å
29Q71.9Confident71.9Confident111 Ų111108.7 Ų108.752%0.51952%0.519SS..Hα-helixtrans-61.2-45.2175.7-174.9178.4-16.900112R25 R26 L27 I31 Q32 E33R25-Q29 WeakPolarHBondContact O-CB 3.19Å; R25-Q29 PolarHBondContact O-N 2.94Å; R26-Q29 PolarHBondContact O-N 3.44Å; L27-Q29 VanDerWaalsContact C-N 3.32Å; L27-Q29 PolarHBondContact O-N 3.45Å; Q29-I31 VanDerWaalsContact C-N 3.31Å; Q29-I31 PolarHBondContact O-N 3.03Å; Q29-Q32 PolarHBondContact O-N 2.88Å; Q29-E33 HydrophobicContact CG-CG 4.48Å; Q29-E33 PolarHBondContact NE2-OE1 2.89Å; Q29-E33 WeakPolarHBondContact O-CG 3.41Å; Q29-E33 PolarHBondContact O-N 2.72Å
30L73Confident71.1Confident90 Ų90106.6 Ų106.647%0.47151%0.513SS..Hα-helixtrans-63.2-36176.4-76.5169.6000112.5R26 L27 N34R26-L30 WeakPolarHBondContact O-CB 3.42Å; R26-L30 WeakPolarHBondContact O-CG 3.34Å; R26-L30 PolarHBondContact O-N 3.31Å; L27-L30 PolarHBondContact O-N 2.96Å; L30-N34 VanDerWaalsContact O-CB 3.28Å; L30-N34 WeakPolarHBondContact O-CB 3.45Å; L30-N34 VanDerWaalsContact O-CG 3.3Å; L30-N34 PolarHBondContact O-N 2.99Å; L30-N34 PolarHBondContact O-ND2 2.95Å
31I75Confident70.4Confident97 Ų97109 Ų10950%0.49753%0.528SS..Hα-helixtrans-64.8-43.9174.8-71.1164.5000109.9L27 V28 Q29 N34 Q35L27-I31 VanDerWaalsContact O-CG1 3.27Å; L27-I31 WeakPolarHBondContact O-CG1 3.43Å; L27-I31 PolarHBondContact O-N 3.43Å; V28-I31 PolarHBondContact O-N 3.21Å; Q29-I31 VanDerWaalsContact C-N 3.31Å; Q29-I31 PolarHBondContact O-N 3.03Å; I31-N34 PolarHBondContact O-N 2.91Å; I31-Q35 WeakPolarHBondContact O-CG 3.43Å; I31-Q35 PolarHBondContact O-N 3.34Å
32Q65.3Low70Confident111 Ų111114.3 Ų114.352%0.51954%0.542SS..Hα-helixtrans-68-44.1-179.7-168.2156.5-16.300112.3V28 Q29 N34 Q35 E36V28-Q32 PolarHBondContact O-N 3.29Å; Q29-Q32 PolarHBondContact O-N 2.88Å; Q32-N34 VanDerWaalsContact C-N 3.31Å; Q32-N34 PolarHBondContact O-N 2.91Å; Q32-Q35 WeakPolarHBondContact O-CB 3.41Å; Q32-Q35 PolarHBondContact O-N 2.67Å; Q32-Q35 VanDerWaalsContact O-N 3.08Å; Q32-E36 PolarHBondContact O-N 2.7Å
33E72.3Confident68.8Low86 Ų86114.1 Ų114.140%0.40254%0.544SS..Hα-helixtrans-60-41173.2-73.4175.8-168.900111.5Q29 Q35 E36 L37Q29-E33 HydrophobicContact CG-CG 4.48Å; Q29-E33 PolarHBondContact NE2-OE1 2.89Å; Q29-E33 WeakPolarHBondContact O-CG 3.41Å; Q29-E33 PolarHBondContact O-N 2.72Å; E33-Q35 VanDerWaalsContact C-N 3.31Å; E33-Q35 PolarHBondContact O-N 2.97Å; E33-E36 PolarHBondContact O-N 3.44Å; E33-L37 WeakPolarHBondContact O-CB 3.17Å; E33-L37 WeakPolarHBondContact O-CG 3.2Å; E33-L37 PolarHBondContact O-N 2.67Å
34N66.3Low67.4Low93 Ų93117.7 Ų117.750%0.49755%0.553SS.*Hα-helixtrans-65.1-33174.7-82.7-52.1000112.8L30 I31 Q32 K38L30-N34 VanDerWaalsContact O-CB 3.28Å; L30-N34 WeakPolarHBondContact O-CB 3.45Å; L30-N34 VanDerWaalsContact O-CG 3.3Å; L30-N34 PolarHBondContact O-N 2.99Å; L30-N34 PolarHBondContact O-ND2 2.95Å; I31-N34 PolarHBondContact O-N 2.91Å; Q32-N34 VanDerWaalsContact C-N 3.31Å; Q32-N34 PolarHBondContact O-N 2.91Å; N34-K38 WeakPolarHBondContact O-CG 3.44Å; N34-K38 PolarHBondContact O-N 2.66Å; N34-K38 VanDerWaalsContact O-N 3.15Å
35Q66.7Low66.5Low121 Ų121115.7 Ų115.757%0.56556%0.556SS**Hα-helixtrans-70.8-41.9174.7-74.1177.9-6.500111.8I31 Q32 E33 K38 L39I31-Q35 WeakPolarHBondContact O-CG 3.43Å; I31-Q35 PolarHBondContact O-N 3.34Å; Q32-Q35 WeakPolarHBondContact O-CB 3.41Å; Q32-Q35 PolarHBondContact O-N 2.67Å; Q32-Q35 VanDerWaalsContact O-N 3.08Å; E33-Q35 VanDerWaalsContact C-N 3.31Å; E33-Q35 PolarHBondContact O-N 2.97Å; Q35-K38 WeakPolarHBondContact O-CB 3.5Å; Q35-K38 PolarHBondContact O-N 3.05Å; Q35-L39 PolarHBondContact O-N 2.96Å
36E73.4Confident65.2Low122 Ų122110.9 Ų110.957%0.5755%0.552SS**Hα-helixtrans-64.2-43.4175.8-71.7-175.2177.700111.9Q32 E33 K38 L39 V40Q32-E36 PolarHBondContact O-N 2.7Å; E33-E36 PolarHBondContact O-N 3.44Å; E36-K38 VanDerWaalsContact C-N 3.32Å; E36-K38 PolarHBondContact O-N 3.01Å; E36-L39 WeakPolarHBondContact O-CB 3.5Å; E36-L39 PolarHBondContact O-N 2.89Å; E36-V40 WeakPolarHBondContact O-CG2 3.3Å; E36-V40 PolarHBondContact O-N 2.8Å
37L67.1Low63.2Low105 Ų105108.3 Ų108.355%0.5556%0.556SS.*Hα-helixtrans-59.5-42.5174.9-75.5169.9000111.8E33 L39 V40 L41E33-L37 WeakPolarHBondContact O-CB 3.17Å; E33-L37 WeakPolarHBondContact O-CG 3.2Å; E33-L37 PolarHBondContact O-N 2.67Å; L37-L39 VanDerWaalsContact C-N 3.28Å; L37-L39 PolarHBondContact O-N 2.63Å; L37-V40 PolarHBondContact O-N 2.71Å; L37-L41 WeakPolarHBondContact O-CB 3Å; L37-L41 VanDerWaalsContact O-CG 3.24Å; L37-L41 WeakPolarHBondContact O-CG 3.28Å; L37-L41 PolarHBondContact O-N 3.24Å
38K60.9Low61.8Low129 Ų129110.3 Ų110.356%0.56157%0.567SS**Hα-helixtrans-60.2-39.2173.8-80.2179.2179.7-176.10112N34 Q35 E36 R42N34-K38 WeakPolarHBondContact O-CG 3.44Å; N34-K38 PolarHBondContact O-N 2.66Å; N34-K38 VanDerWaalsContact O-N 3.15Å; Q35-K38 WeakPolarHBondContact O-CB 3.5Å; Q35-K38 PolarHBondContact O-N 3.05Å; E36-K38 VanDerWaalsContact C-N 3.32Å; E36-K38 PolarHBondContact O-N 3.01Å; K38-R42 WeakPolarHBondContact O-CB 3.44Å; K38-R42 PolarHBondContact O-N 2.84Å
39L59.3Low59.9Low107 Ų107109.6 Ų109.656%0.5658%0.577SS**Hα-helixtrans-71.7-40.6-178-148.5135.6000111.8Q35 E36 L37 R42 N43Q35-L39 PolarHBondContact O-N 2.96Å; E36-L39 WeakPolarHBondContact O-CB 3.5Å; E36-L39 PolarHBondContact O-N 2.89Å; L37-L39 VanDerWaalsContact C-N 3.28Å; L37-L39 PolarHBondContact O-N 2.63Å; L39-R42 PolarHBondContact O-N 3.19Å; L39-N43 WeakPolarHBondContact O-CB 3.44Å; L39-N43 PolarHBondContact O-N 2.88Å
40V65.3Low58.1Low72 Ų72114 Ų11444%0.43660%0.595SS.*Hα-helixtrans-64.7-42.4174173.40000111.5E36 L37 N43 R44E36-V40 WeakPolarHBondContact O-CG2 3.3Å; E36-V40 PolarHBondContact O-N 2.8Å; L37-V40 PolarHBondContact O-N 2.71Å; V40-N43 PolarHBondContact O-N 2.82Å; V40-R44 WeakPolarHBondContact O-CB 3.48Å; V40-R44 WeakPolarHBondContact O-CG 3.41Å; V40-R44 PolarHBondContact O-N 2.83Å
41L65.6Low56.1Low126 Ų126114.3 Ų114.366%0.6660%0.603SS**Hα-helixtrans-64.7-40.3175.9-71.5170.3000111.7L37 G45L37-L41 WeakPolarHBondContact O-CB 3Å; L37-L41 VanDerWaalsContact O-CG 3.24Å; L37-L41 WeakPolarHBondContact O-CG 3.28Å; L37-L41 PolarHBondContact O-N 3.24Å; L41-G45 PolarHBondContact O-N 2.85Å
42R62Low54.5Low199 Ų199114.5 Ų114.575%0.75161%0.613SS**Hα-helixtrans-63.4-43.7175.7-169.3178.6-175.8-173.21.5112.1K38 L39 G45 S46K38-R42 WeakPolarHBondContact O-CB 3.44Å; K38-R42 PolarHBondContact O-N 2.84Å; L39-R42 PolarHBondContact O-N 3.19Å; R42-G45 PolarHBondContact O-N 2.88Å; R42-S46 PolarHBondContact O-N 2.94Å; R42-S46 PolarHBondContact O-OG 3.25Å; R42-S46 VanDerWaalsContact O-OG 3.1Å
43N60Low53.3Low96 Ų96115 Ų11551%0.51363%0.629SS.*Hα-helixtrans-74.1-27.3-178.6-74-9.6000113.8L39 V40 S46L39-N43 WeakPolarHBondContact O-CB 3.44Å; L39-N43 PolarHBondContact O-N 2.88Å; V40-N43 PolarHBondContact O-N 2.82Å; N43-S46 WeakPolarHBondContact CA-OG 3.33Å; N43-S46 PolarHBondContact O-OG 2.85Å; N43-S46 VanDerWaalsContact O-OG 3.08Å
44R51.3Low51.7Low182 Ų182114.1 Ų114.169%0.68764%0.643SS**Hα-helixtrans-81.6-27.2172.6-73-174.7174.8-170.3-0.5112.9V40 S46 S47V40-R44 WeakPolarHBondContact O-CB 3.48Å; V40-R44 WeakPolarHBondContact O-CG 3.41Å; V40-R44 PolarHBondContact O-N 2.83Å; R44-S46 VanDerWaalsContact C-N 3.27Å; R44-S46 PolarHBondContact O-N 3.01Å; R44-S47 PolarHBondContact O-OG 2.86Å
45G48.1Very low50.1Low57 Ų57116.7 Ų116.759%0.58865%0.65SS**Hα-helixtrans-68.9-23.7171.500000113.6L41 R42L41-G45 PolarHBondContact O-N 2.85Å; R42-G45 PolarHBondContact O-N 2.88Å
46S42.8Very low48.6Very low91 Ų91119.3 Ų119.364%0.63667%0.667SS**SBendtrans-91.1-12.5177.943.40000114.7R42 N43 R44R42-S46 PolarHBondContact O-N 2.94Å; R42-S46 PolarHBondContact O-OG 3.25Å; R42-S46 VanDerWaalsContact O-OG 3.1Å; N43-S46 WeakPolarHBondContact CA-OG 3.33Å; N43-S46 PolarHBondContact O-OG 2.85Å; N43-S46 VanDerWaalsContact O-OG 3.08Å; R44-S46 VanDerWaalsContact C-N 3.27Å; R44-S46 PolarHBondContact O-N 3.01Å
47S38.2Very low46.8Very low92 Ų92117.8 Ų117.864%0.64368%0.675SS**SBendtrans-91.5-4.7176.268.30000114.5R44R44-S47 PolarHBondContact O-OG 2.86Å
48L39.6Very low45.2Very low141 Ų141119.1 Ų119.174%0.73868%0.679SS**SBendtrans-11498.8174.2-79.4157.7000108.2
49G34.8Very low44.1Very low73 Ų73117.4 Ų117.475%0.75368%0.679SS**  trans-64.4144.5168.300000111.3
50F33.3Very low43Very low204 Ų204117 Ų11790%0.89569%0.691SS**  trans102.7132.3153.6-108.1-102.3000121.9
51C30Very low41.8Very low96 Ų96117.5 Ų117.565%0.64970%0.703SS**  trans14138155.7-69.90000124.2
52S42.9Very low40.2Very low101 Ų101115.3 Ų115.371%0.70670%0.698SS**SBendtrans38.1127.4138.9670000121
53S40.3Very low38.9Very low121 Ų121111.9 Ų111.985%0.84670%0.701SS**SBendtrans51.293.8149.459.80000116.5
54G37.7Very low37.6Very low68 Ų68118.7 Ų118.770%0.70172%0.72SS**  trans167.5-14.1163.700000118.4
55F32.6Very low36.6Very low147 Ų147115.9 Ų115.965%0.64572%0.718SS**THydrogen-bonded Turntrans-101.925-160.7-134.4-93.2000117.5E58 V59F55-E58 HydrophobicContact CZ-CB 4.43Å; F55-V59 HydrophobicContact CD1-CG2 4.16Å; F55-V59 HydrophobicContact CE1-CG2 4.19Å
56L36.3Very low35.9Very low177 Ų177119 Ų11993%0.92773%0.728SS**THydrogen-bonded Turntrans-94.1-7.4171.2-76.9174.3000114
57A35.6Very low35.4Very low89 Ų89126.3 Ų126.374%0.73674%0.741SS**SBendtrans-88.7-21.7-179.400000114.4
58E32.9Very low35.1Very low134 Ų134133.3 Ų133.363%0.62675%0.754SS**SBendtrans-108-7.4-164.7-151.6163.8-171.300115.3F55 A60F55-E58 HydrophobicContact CZ-CB 4.43Å; E58-A60 VanDerWaalsContact C-N 3.25Å; E58-A60 PolarHBondContact O-N 2.88Å
59V37.6Very low34.5Very low92 Ų92138 Ų13856%0.55876%0.762SS**G310 helixtrans-77.4-13.4175-177.10000112.1F55 A61F55-V59 HydrophobicContact CD1-CG2 4.16Å; F55-V59 HydrophobicContact CE1-CG2 4.19Å; V59-A61 VanDerWaalsContact C-N 3.31Å; V59-A61 PolarHBondContact O-N 3.49Å
60A37.1Very low34.1Very low100 Ų100140.2 Ų140.283%0.82676%0.761SS**G310 helixtrans-75.6-11.3179.600000114.6E58E58-A60 VanDerWaalsContact C-N 3.25Å; E58-A60 PolarHBondContact O-N 2.88Å
61A38.5Very low33.9Very low82 Ų82136.9 Ų136.968%0.67875%0.751SS**G310 helixtrans-11612.5-168.500000115.6V59 P63V59-A61 VanDerWaalsContact C-N 3.31Å; V59-A61 PolarHBondContact O-N 3.49Å; A61-P63 WeakPolarHBondContact O-CD 3.29Å
62S33.4Very low33.6Very low80 Ų80141 Ų14156%0.55976%0.758SS**  trans-85.1122179.3-91.80000113W64S62-W64 PolarHBondContact O-N 2.71Å; S62-W64 VanDerWaalsContact O-N 3.1Å
63P34.1Very low32.8Very low126 Ų126145.5 Ų145.582%0.81877%0.765SS**THydrogen-bonded Turntrans-70.4-2.8-176-18.731.4000116.3A61A61-P63 WeakPolarHBondContact O-CD 3.29Å
64W32.5Very low32.2Very low240 Ų240149.1 Ų149.191%0.90977%0.765SS**THydrogen-bonded Turntrans-111.920-166.8-99.984.9000114.7S62S62-W64 PolarHBondContact O-N 2.71Å; S62-W64 VanDerWaalsContact O-N 3.1Å
65L30.9Very low32.1Very low123 Ų123153.4 Ų153.464%0.64477%0.772SS**SBendtrans-86.3124169.9-83.4154.2000110R67L65-R67 PolarHBondContact O-N 2.89Å
66P32.4Very low32.1Very low121 Ų121151.2 Ų151.279%0.78678%0.782SS**PPolyproline II helixtrans-60.4128.8171.423.7-30000109.2R68P66-R68 PolarHBondContact O-N 3.35Å
67R32.4Very low32Very low245 Ų245151.4 Ų151.493%0.92578%0.778SS**PPolyproline II helixtrans-50.1127.1-177.8-73.1-178.2172.4-153.6-1.9110.8L65 R69L65-R67 PolarHBondContact O-N 2.89Å; R67-R69 PolarHBondContact O-N 3.17Å
68R31.5Very low31.8Very low239 Ų239157.7 Ų157.790%0.90278%0.782SS**  trans-42.3112.3170.9-85.7-179.1169.6-164.2-2.4110.4P66 T70P66-R68 PolarHBondContact O-N 3.35Å; R68-T70 PolarHBondContact O-N 3.26Å
69R27.5Very low31.7Very low240 Ų240158.1 Ų158.191%0.90679%0.794SS**  trans-80102.2157.8-84.6-174.9175.5179.6-0.2107.4R67 I71R67-R69 PolarHBondContact O-N 3.17Å; R69-I71 PolarHBondContact O-N 2.75Å; R69-I71 VanDerWaalsContact O-N 3.08Å
70T26.3Very low31.3Very low120 Ų120162.5 Ų162.574%0.73681%0.806SS**  trans-64.2103.1168-44.40000108.3R68 K72R68-T70 PolarHBondContact O-N 3.26Å; T70-K72 PolarHBondContact O-N 3.48Å
71I28.5Very low31Very low134 Ų134163.7 Ų163.769%0.68781%0.805SS**  trans-75.3107.5169.4-61.9175.4000106.6R69 F73R69-I71 PolarHBondContact O-N 2.75Å; R69-I71 VanDerWaalsContact O-N 3.08Å; I71-F73 HydrophobicContact CG2-CE2 4.37Å; I71-F73 PolarHBondContact O-N 2.88Å
72K23.9Very low31Very low182 Ų182163.5 Ų163.579%0.79181%0.811SS**  trans-79112.2169.8-70.2-171.2177-175.10108.2T70 K74T70-K72 PolarHBondContact O-N 3.48Å; K72-K74 PolarHBondContact O-N 3.07Å
73F26.9Very low30.8Very low195 Ų195167.9 Ų167.986%0.85583%0.827SS**  trans-70.2117.7165.1-70.8-87.1000108.2I71I71-F73 HydrophobicContact CG2-CE2 4.37Å; I71-F73 PolarHBondContact O-N 2.88Å
74K26.7Very low30.7Very low197 Ų197167.7 Ų167.786%0.85783%0.826SS**  trans-88.6134.2169.4-83.1-175.3172.7-176.70108.6K72K72-K74 PolarHBondContact O-N 3.07Å
75N37.1Very low31Very low158 Ų158160.9 Ų160.985%0.84582%0.821SS**  trans-37.4130.3174.3-70.4-10.3000113
76A31.1Very low31.3Very low102 Ų102164 Ų16484%0.84383%0.832SS**  trans-117.981167.900000109
77E36Very low31.5Very low181 Ų181167.4 Ų167.485%0.84684%0.837SS**  trans-83.6114.5154.9-71.7177168.700107.3
78R30.1Very low31.5Very low221 Ų221162.1 Ų162.183%0.83483%0.827SS**  trans-145.6118.4159.5-74.9-165.4-172.1172.33.5110.6
79V31.7Very low31.6Very low143 Ų143160 Ų16087%0.86783%0.833SS**  trans-86.8137.3168177.20000108.1
80F28.5Very low31.8Very low184 Ų184158 Ų15881%0.80783%0.825SS**  trans-109.9132.1176.1-73-81.9000111.3
81P30.4Very low32Very low125 Ų125158 Ų15881%0.81282%0.82SS**  trans-102.7137.9174.135.3-26.3000113.5
82G40.1Very low32.2Very low77 Ų77155.8 Ų155.879%0.79482%0.817SS**  trans82.397.6144.200000119.6
83L27.9Very low32.5Very low172 Ų172150.3 Ų150.390%0.90180%0.802SS**  trans-145.6145.3151.8-87.6169.1000110.2
84P31.6Very low32.8Very low122 Ų122146.2 Ų146.279%0.79280%0.795SS**  trans-90.1160.9-170.735.8-31.8000114
85A40Very low33.3Very low98 Ų98141.5 Ų141.581%0.8178%0.783SS**  trans-80.6126.6-17200000113.8
86E37.4Very low33.3Very low188 Ų188139 Ų13988%0.87977%0.773SS**  162.1146.2117.5-87.6-169.1173.300111.3
87E35.9Very low33.7Very low192 Ų192138.5 Ų138.590%0.89776%0.755SS**  trans79.666.8176.8-64-171.4153.700118.2
88L33.5Very low34Very low135 Ų135130.3 Ų130.371%0.70772%0.718SS**  trans-123.5120.3144.2-128.797.9000108.8W90 S92L88-W90 HydrophobicContact CD2-CB 4.33Å; L88-W90 PolarHBondContact O-N 3.28Å; L88-S92 PolarHBondContact O-OG 2.93Å
89L31.6Very low34.5Very low195 Ų195120.2 Ų120.2100%1.02168%0.682SS**SBendtrans-72.842.6173.1-85154.2000112.4
90W32.9Very low35.4Very low196 Ų196119.7 Ų119.774%0.74268%0.681SS**SBendtrans-119125.7157.8-175.5-93.2000103.4L88 S92L88-W90 HydrophobicContact CD2-CB 4.33Å; L88-W90 PolarHBondContact O-N 3.28Å; W90-S92 VanDerWaalsContact C-N 3.32Å; W90-S92 WeakPolarHBondContact O-CB 3.34Å; W90-S92 PolarHBondContact O-N 2.81Å; W90-S92 PolarHBondContact O-OG 3.23Å
91D30.4Very low36.9Very low120 Ų120116.2 Ų116.264%0.64267%0.667SS**  trans-48.6102.6175.5-178.75.4000108.7S93D91-S93 VanDerWaalsContact C-N 3.3Å; D91-S93 VanDerWaalsContact OD1-CB 3.28Å; D91-S93 WeakPolarHBondContact OD1-CB 3.45Å; D91-S93 PolarHBondContact OD1-N 3.47Å; D91-S93 PolarHBondContact OD1-OG 2.98Å
92S33.3Very low39.3Very low88 Ų88112.3 Ų112.362%0.61565%0.65SS**  trans-102.120.8-171.8190000110L88 W90L88-S92 PolarHBondContact O-OG 2.93Å; W90-S92 VanDerWaalsContact C-N 3.32Å; W90-S92 WeakPolarHBondContact O-CB 3.34Å; W90-S92 PolarHBondContact O-N 2.81Å; W90-S92 PolarHBondContact O-OG 3.23Å
93S29.2Very low41.7Very low68 Ų68112.8 Ų112.848%0.47663%0.628SS.*SBendtrans-43.9127.3140.1-53.90000105.9D91 T95D91-S93 VanDerWaalsContact C-N 3.3Å; D91-S93 VanDerWaalsContact OD1-CB 3.28Å; D91-S93 WeakPolarHBondContact OD1-CB 3.45Å; D91-S93 PolarHBondContact OD1-N 3.47Å; D91-S93 PolarHBondContact OD1-OG 2.98Å; S93-T95 PolarHBondContact O-N 3.24Å
94P33.9Very low44.9Very low108 Ų108105.3 Ų105.370%0.70159%0.588SS**  trans-52.9111162.323.5-28000102.4T96P94-T96 PolarHBondContact O-N 2.9Å
95T35.8Very low48Very low99 Ų99101 Ų10161%0.60756%0.557SS**  trans-62.792.9155-50.7000099.9S93 M97S93-T95 PolarHBondContact O-N 3.24Å; T95-M97 HydrophobicContact CG2-CG 3.95Å; T95-M97 PolarHBondContact O-N 2.86Å
96T39Very low50.7Low104 Ų10496.3 Ų96.364%0.63852%0.519SS*.  trans-49.192.5147.3-52000099.9P94 G98P94-T96 PolarHBondContact O-N 2.9Å; T96-G98 PolarHBondContact O-N 3.33Å
97M39.1Very low53.6Low93 Ų9389 Ų8946%0.45849%0.491SS..  trans-6816.9165.7-85.6-97.9-62.600107.6T95 Q120 G124T95-M97 HydrophobicContact CG2-CG 3.95Å; T95-M97 PolarHBondContact O-N 2.86Å; M97-Q120 VanDerWaalsContact C-NE2 3.34Å; M97-Q120 VanDerWaalsContact O-CD 3.23Å; M97-Q120 WeakPolarHBondContact O-CG 3.33Å; M97-Q120 PolarHBondContact O-NE2 3.32Å; M97-Q120 PolarHBondContact SD-NE2 3.48Å; M97-G124 WeakPolarHBondContact O-CA 3.29Å
98G41.9Very low56.6Low8 Ų880.2 Ų80.28%0.08245%0.449CS..SBendtrans-67.8129.7151.500000107.6T96T96-G98 PolarHBondContact O-N 3.33Å
99S41.4Very low59.5Low10 Ų1077.3 Ų77.37%0.0744%0.435CS..  trans-42132.7161.668.60000108.3E101 G102 R103 H105S99-E101 PolarHBondContact O-N 2.91Å; S99-G102 PolarHBondContact O-N 2.85Å; S99-G102 WeakPolarHBondContact OG-CA 3.34Å; S99-G102 PolarHBondContact OG-N 3.36Å; S99-R103 WeakPolarHBondContact CB-O 3.37Å; S99-R103 PolarHBondContact OG-N 2.8Å; S99-R103 PolarHBondContact OG-O 3.13Å; S99-H105 VanDerWaalsContact CB-CD2 3.5Å; S99-H105 WeakPolarHBondContact CB-CD2 3.28Å; S99-H105 WeakPolarHBondContact CB-NE2 3.33Å
100P49.9Very low62.5Low131 Ų13170.1 Ų70.185%0.85139%0.394SS*.THydrogen-bonded Turntrans-58.6-4.4175.316.3-26000113.6
101E59.5Low65.3Low111 Ų11161.4 Ų61.452%0.51937%0.365SS..THydrogen-bonded Turntrans-125.88.7-169.2-54.7-175.9144.200114.9S99 R103S99-E101 PolarHBondContact O-N 2.91Å; E101-R103 VanDerWaalsContact C-N 3.26Å; E101-R103 HydrophobicContact CB-CG 4.48Å; E101-R103 PolarHBondContact O-N 2.93Å; E101-R103 IonicContact OE1-NH2 3.41Å; E101-R103 PolarHBondContact OE1-NH2 3.15Å; E101-R103 IonicContact OE2-CZ 3.11Å; E101-R103 IonicContact OE2-NE 3.12Å; E101-R103 PolarHBondContact OE2-NE 2.98Å; E101-R103 VanDerWaalsContact OE2-NE 3.12Å; E101-R103 IonicContact OE2-NH2 2.6Å; E101-R103 PolarHBondContact OE2-NH2 3.49Å
102G81.4Confident68Low43 Ų4358 Ų5844%0.44336%0.358SS..SBendtrans60.133.6-176.500000114S99 P122S99-G102 PolarHBondContact O-N 2.85Å; S99-G102 WeakPolarHBondContact OG-CA 3.34Å; S99-G102 PolarHBondContact OG-N 3.36Å; G102-P122 WeakPolarHBondContact O-CG 3.33Å
103R90.6Very high70.7Confident88 Ų8858.3 Ų58.333%0.33236%0.356SS..  trans-126.3160.3-175.3-73.8-166.9-78.9-179.9-8.8111.7S99 E101 H169 A171S99-R103 WeakPolarHBondContact CB-O 3.37Å; S99-R103 PolarHBondContact OG-N 2.8Å; S99-R103 PolarHBondContact OG-O 3.13Å; E101-R103 VanDerWaalsContact C-N 3.26Å; E101-R103 HydrophobicContact CB-CG 4.48Å; E101-R103 PolarHBondContact O-N 2.93Å; E101-R103 IonicContact OE1-NH2 3.41Å; E101-R103 PolarHBondContact OE1-NH2 3.15Å; E101-R103 IonicContact OE2-CZ 3.11Å; E101-R103 IonicContact OE2-NE 3.12Å; E101-R103 PolarHBondContact OE2-NE 2.98Å; E101-R103 VanDerWaalsContact OE2-NE 3.12Å; E101-R103 IonicContact OE2-NH2 2.6Å; E101-R103 PolarHBondContact OE2-NH2 3.49Å; R103-H169 CarbonylContact C-O 3.49Å; R103-H169 VanDerWaalsContact CA-O 3.24Å; R103-H169 WeakPolarHBondContact CA-O 3.49Å; R103-H169 VanDerWaalsContact CB-O 3.25Å; R103-H169 WeakPolarHBondContact CB-O 3.24Å; R103-A171 HydrophobicContact CB-CB 3.69Å
104F94.8Very high73.8Confident14 Ų1458.6 Ų58.66%0.06135%0.349CS..EExtended strand (participates in β ladder)trans-80.1141.5179.1-69.5-91.7000112.5F106 Q120 C121 P122 I150 L151 E154 H169 I170 A171 S172F104-F106 HydrophobicContact CB-CD2 4.12Å; F104-F106 HydrophobicContact CB-CE2 3.42Å; F104-F106 VanDerWaalsContact CB-CE2 3.42Å; F104-F106 HydrophobicContact CB-CZ 3.95Å; F104-F106 HydrophobicContact CD1-CE2 4.33Å; F104-F106 AromaticContact CD1-CZ 3.98Å; F104-F106 HydrophobicContact CD1-CZ 3.98Å; F104-F106 HydrophobicContact CG-CE2 4.06Å; F104-F106 HydrophobicContact CG-CZ 4.14Å; F104-Q120 WeakPolarHBondContact CA-O 3.36Å; F104-C121 HydrophobicContact CD1-CB 4.32Å; F104-C121 HydrophobicContact CE1-CB 3.94Å; F104-P122 HydrophobicContact CD2-CG 3.89Å; F104-P122 VanDerWaalsContact CE1-CD 3.44Å; F104-P122 HydrophobicContact CE1-CG 4.44Å; F104-P122 HydrophobicContact CE2-CG 3.65Å; F104-P122 HydrophobicContact CG-CG 4.36Å; F104-P122 HydrophobicContact CZ-CG 3.95Å; F104-I150 HydrophobicContact CD1-CG2 4.45Å; F104-I150 HydrophobicContact CE1-CG2 4.15Å; F104-L151 HydrophobicContact CD1-CD2 4.34Å; F104-L151 HydrophobicContact CD2-CD2 3.66Å; F104-L151 HydrophobicContact CE1-CD2 4.19Å; F104-L151 HydrophobicContact CE2-CD2 3.51Å; F104-L151 HydrophobicContact CG-CD2 4.1Å; F104-L151 HydrophobicContact CZ-CD2 3.79Å; F104-E154 HydrophobicContact CE1-CB 4.17Å; F104-E154 HydrophobicContact CE1-CG 3.73Å; F104-E154 HydrophobicContact CZ-CB 3.72Å; F104-E154 HydrophobicContact CZ-CG 3.81Å; F104-H169 HydrophobicContact CD2-CB 4.28Å; F104-H169 WeakPolarHBondContact CD2-O 3.4Å; F104-H169 PolarHBondContact N-O 2.89Å; F104-I170 HydrophobicContact CB-CG1 4.5Å; F104-A171 PolarHBondContact O-N 2.82Å; F104-S172 PolarHBondContact O-N 3.21Å
105H96.1Very high76.8Confident31 Ų3153.4 Ų53.414%0.14432%0.316CS..EExtended strand (participates in β ladder)trans-120.5120.2165.5-58.6-90000110.1S99 A119 Q120 A171 S172S99-H105 VanDerWaalsContact CB-CD2 3.5Å; S99-H105 WeakPolarHBondContact CB-CD2 3.28Å; S99-H105 WeakPolarHBondContact CB-NE2 3.33Å; H105-A119 WeakPolarHBondContact O-CA 3.38Å; H105-Q120 HydrophobicContact CB-CB 4.27Å; H105-Q120 PolarHBondContact N-O 2.93Å; H105-Q120 PolarHBondContact O-N 3.4Å; H105-A171 WeakPolarHBondContact CE1-CB 3.48Å; H105-S172 PolarHBondContact ND1-OG 2.89Å
106F97.5Very high79.7Confident1 Ų151.6 Ų51.60%0.00430%0.302CS..EExtended strand (participates in β ladder)trans-104.2139.4178.8-65.3-86.2000111.6F104 I108 V117 F118 A119 I147 I150 L151 I170 S172 I173 R174F104-F106 HydrophobicContact CB-CD2 4.12Å; F104-F106 HydrophobicContact CB-CE2 3.42Å; F104-F106 VanDerWaalsContact CB-CE2 3.42Å; F104-F106 HydrophobicContact CB-CZ 3.95Å; F104-F106 HydrophobicContact CD1-CE2 4.33Å; F104-F106 AromaticContact CD1-CZ 3.98Å; F104-F106 HydrophobicContact CD1-CZ 3.98Å; F104-F106 HydrophobicContact CG-CE2 4.06Å; F104-F106 HydrophobicContact CG-CZ 4.14Å; F106-I108 HydrophobicContact CB-CG1 4.42Å; F106-V117 HydrophobicContact CD1-CG1 4.3Å; F106-F118 CarbonylContact C-O 3.59Å; F106-F118 WeakPolarHBondContact CA-O 3.32Å; F106-A119 HydrophobicContact CD1-CB 3.57Å; F106-A119 HydrophobicContact CE1-CB 3.46Å; F106-A119 VanDerWaalsContact CE1-CB 3.46Å; F106-A119 HydrophobicContact CG-CB 4.48Å; F106-A119 HydrophobicContact CZ-CB 4.3Å; F106-I147 HydrophobicContact CD1-CG1 3.94Å; F106-I147 HydrophobicContact CD2-CG1 4.37Å; F106-I147 HydrophobicContact CE1-CB 4.31Å; F106-I147 HydrophobicContact CE1-CG1 4.06Å; F106-I147 HydrophobicContact CE1-CG2 4.24Å; F106-I147 HydrophobicContact CE2-CG1 4.48Å; F106-I147 HydrophobicContact CE2-CG2 3.95Å; F106-I147 HydrophobicContact CG-CG1 4.11Å; F106-I147 HydrophobicContact CZ-CB 4.35Å; F106-I147 HydrophobicContact CZ-CG1 4.34Å; F106-I147 HydrophobicContact CZ-CG2 3.77Å; F106-I150 HydrophobicContact CE1-CB 4.14Å; F106-I150 HydrophobicContact CE1-CD1 4.04Å; F106-I150 HydrophobicContact CE1-CG2 4.02Å; F106-I150 HydrophobicContact CZ-CG2 4.31Å; F106-L151 HydrophobicContact CZ-CD2 4.44Å; F106-I170 HydrophobicContact CD2-CG2 3.81Å; F106-I170 HydrophobicContact CE2-CD1 3.98Å; F106-I170 HydrophobicContact CE2-CG1 4.04Å; F106-I170 HydrophobicContact CE2-CG2 3.99Å; F106-S172 PolarHBondContact N-O 2.72Å; F106-I173 HydrophobicContact CB-CG1 4.32Å; F106-I173 HydrophobicContact CB-CG2 4.37Å; F106-I173 HydrophobicContact CD2-CG1 4.23Å; F106-R174 PolarHBondContact O-N 3.5Å
107A97.9Very high82.5Confident35 Ų3546.7 Ų46.729%0.28927%0.272SS..EExtended strand (participates in β ladder)trans-124.5121.5163.200000108.2F118 R174A107-F118 HydrophobicContact CB-CB 4.34Å; A107-F118 HydrophobicContact CB-CD1 4.24Å; A107-F118 PolarHBondContact N-O 3.16Å; A107-F118 PolarHBondContact O-N 2.87Å; A107-R174 CarbonylContact C-O 3.58Å; A107-R174 WeakPolarHBondContact CA-O 3.46Å
108I97.9Very high85.3Confident6 Ų646.3 Ų46.33%0.03127%0.268CS..EExtended strand (participates in β ladder)trans-124.3131.1-172.6-57178.1000108.6F106 T115 D116 V117 P143 I147 I173 R174 M175 G176F106-I108 HydrophobicContact CB-CG1 4.42Å; I108-T115 HydrophobicContact CG2-CG2 3.64Å; I108-D116 CarbonylContact C-O 3.53Å; I108-D116 WeakPolarHBondContact CA-O 3.18Å; I108-V117 HydrophobicContact CG1-CG1 4.23Å; I108-V117 HydrophobicContact CG1-CG2 4.38Å; I108-V117 HydrophobicContact CG2-CG2 4.24Å; I108-P143 HydrophobicContact CD1-CB 4.05Å; I108-P143 HydrophobicContact CG2-CB 4.11Å; I108-P143 HydrophobicContact CG2-CG 4.15Å; I108-I147 HydrophobicContact CD1-CD1 3.9Å; I108-I147 HydrophobicContact CD1-CG1 3.93Å; I108-I173 HydrophobicContact CD1-CG2 4.19Å; I108-R174 PolarHBondContact N-O 3.28Å; I108-M175 HydrophobicContact CB-CG 4.36Å; I108-M175 HydrophobicContact CD1-CE 4.34Å; I108-M175 HydrophobicContact CG2-CE 4.49Å; I108-M175 HydrophobicContact CG2-CG 4.47Å; I108-M175 CarbonylContact O-C 3.55Å; I108-M175 WeakPolarHBondContact O-CA 3.46Å; I108-G176 PolarHBondContact O-N 2.91Å
109D95.8Very high87.9Confident75 Ų7545.9 Ų45.940%0.40126%0.264SS..EExtended strand (participates in β ladder)trans-116.3104.5170.3-177.615.7000109.5G111 T115 D116 G176D109-G111 PolarHBondContact O-N 3.33Å; D109-T115 WeakPolarHBondContact O-CA 3.36Å; D109-D116 PolarHBondContact N-O 2.92Å; D109-D116 PolarHBondContact O-N 2.88Å; D109-G176 WeakPolarHBondContact CA-O 3.27Å
110R94.6Very high90.5Very high43 Ų4346.9 Ų46.916%0.16227%0.268CS..EExtended strand (participates in β ladder)trans-85.199.3175.5-177179.8173.498.115.9109.6T115 S133 D141 G176 T177 T178R110-T115 HydrophobicContact CB-CG2 4.42Å; R110-S133 PolarHBondContact NH1-O 3.04Å; R110-S133 PolarHBondContact NH2-O 3.45Å; R110-D141 IonicContact NH1-OD1 2.91Å; R110-D141 PolarHBondContact NH1-OD1 3.39Å; R110-G176 PolarHBondContact N-O 3.41Å; R110-T177 WeakPolarHBondContact O-CA 3.3Å; R110-T177 PolarHBondContact O-OG1 3Å; R110-T178 PolarHBondContact O-N 2.95Å; R110-T178 PolarHBondContact O-OG1 3.1Å
111G90.6Very high92.5Very high14 Ų1440.7 Ų40.714%0.14423%0.227CC..  trans-78.5177.9170.800000113.8D109 F114 S133 T178D109-G111 PolarHBondContact O-N 3.33Å; G111-F114 WeakPolarHBondContact CA-O 3.45Å; G111-F114 PolarHBondContact N-O 3.4Å; G111-S133 WeakPolarHBondContact O-CB 3.33Å; G111-S133 PolarHBondContact O-OG 3.42Å; G111-T178 WeakPolarHBondContact CA-OG1 3.37Å
112G87.3Confident94Very high47 Ų4737.3 Ų37.349%0.48522%0.215SC..SBendtrans-66.7-47.2172.600000113.2
113T89.8Confident94Very high95 Ų9538.7 Ų38.758%0.58323%0.229SC*.SBendtrans-97.7-39.3-179.2-480000113.1S133T113-S133 PolarHBondContact O-N 3.02Å
114F95.1Very high93.6Very high74 Ų7435.4 Ų35.433%0.32522%0.223SC..EExtended strand (participates in β ladder)trans-128.2147.9-174.7-61.9-76.8000111.5G111 K130 L131 L132 S133G111-F114 WeakPolarHBondContact CA-O 3.45Å; G111-F114 PolarHBondContact N-O 3.4Å; F114-K130 HydrophobicContact CB-CD 4.44Å; F114-K130 HydrophobicContact CB-CG 4.1Å; F114-K130 HydrophobicContact CD1-CD 4.3Å; F114-K130 HydrophobicContact CD1-CG 4.12Å; F114-K130 HydrophobicContact CG-CD 4.32Å; F114-K130 HydrophobicContact CG-CG 4.29Å; F114-L131 CarbonylContact C-O 3.56Å; F114-L131 WeakPolarHBondContact CA-O 3.47Å; F114-L132 HydrophobicContact CD1-CD2 4.08Å; F114-L132 HydrophobicContact CE1-CD2 3.64Å; F114-L132 HydrophobicContact CZ-CD2 4.37Å; F114-S133 WeakPolarHBondContact CA-OG 3.33Å; F114-S133 PolarHBondContact N-OG 3.48Å; F114-S133 PolarHBondContact O-OG 3.09Å; F114-S133 VanDerWaalsContact O-OG 3.05Å
115T96.2Very high93.3Very high0 Ų038 Ų380%024%0.235CC..EExtended strand (participates in β ladder)trans-108.3121.3168.7-61.70000108.3I108 D109 R110 V117 K130 L131 S133 A142 P143I108-T115 HydrophobicContact CG2-CG2 3.64Å; D109-T115 WeakPolarHBondContact O-CA 3.36Å; R110-T115 HydrophobicContact CB-CG2 4.42Å; T115-V117 HydrophobicContact CG2-CG2 4.08Å; T115-K130 WeakPolarHBondContact O-CA 3.15Å; T115-L131 PolarHBondContact N-O 3.05Å; T115-L131 PolarHBondContact O-N 3.07Å; T115-S133 PolarHBondContact N-OG 3.25Å; T115-S133 PolarHBondContact OG1-OG 2.69Å; T115-S133 VanDerWaalsContact OG1-OG 3.07Å; T115-A142 HydrophobicContact CG2-CB 4.27Å; T115-A142 WeakPolarHBondContact OG1-CB 3.35Å; T115-P143 HydrophobicContact CG2-CG 4.25Å
116D97.2Very high93.2Very high60 Ų6039.2 Ų39.232%0.32124%0.244SC..EExtended strand (participates in β ladder)trans-95.8129.4175.9-71.1-60.8000108.9I108 D109 K130I108-D116 CarbonylContact C-O 3.53Å; I108-D116 WeakPolarHBondContact CA-O 3.18Å; D109-D116 PolarHBondContact N-O 2.92Å; D109-D116 PolarHBondContact O-N 2.88Å; D116-K130 WeakPolarHBondContact OD1-CG 3.47Å; D116-K130 IonicContact OD1-NZ 3.24Å; D116-K130 PolarHBondContact OD1-NZ 2.93Å; D116-K130 IonicContact OD2-NZ 2.82Å; D116-K130 PolarHBondContact OD2-NZ 3.43Å
117V97.8Very high93Very high2 Ų243.2 Ų43.21%0.01226%0.259CS..EExtended strand (participates in β ladder)trans-125.3120.2-175.8-179.40000108.3F106 I108 T115 V128 L129 I150F106-V117 HydrophobicContact CD1-CG1 4.3Å; I108-V117 HydrophobicContact CG1-CG1 4.23Å; I108-V117 HydrophobicContact CG1-CG2 4.38Å; I108-V117 HydrophobicContact CG2-CG2 4.24Å; T115-V117 HydrophobicContact CG2-CG2 4.08Å; V117-V128 CarbonylContact O-C 3.49Å; V117-V128 VanDerWaalsContact O-CA 3.28Å; V117-V128 WeakPolarHBondContact O-CA 3.42Å; V117-L129 HydrophobicContact CB-CB 4.28Å; V117-L129 PolarHBondContact N-O 3.34Å; V117-L129 PolarHBondContact O-N 3.47Å; V117-I150 HydrophobicContact CG1-CD1 3.71Å
118F98Very high93Very high84 Ų8446.4 Ų46.437%0.36828%0.275SS..EExtended strand (participates in β ladder)trans-109.7132.8171173.3-84.9000108.6F106 A107 Q120 V126 V128F106-F118 CarbonylContact C-O 3.59Å; F106-F118 WeakPolarHBondContact CA-O 3.32Å; A107-F118 HydrophobicContact CB-CB 4.34Å; A107-F118 HydrophobicContact CB-CD1 4.24Å; A107-F118 PolarHBondContact N-O 3.16Å; A107-F118 PolarHBondContact O-N 2.87Å; F118-Q120 HydrophobicContact CE1-CB 4.31Å; F118-V126 HydrophobicContact CD2-CG1 3.86Å; F118-V126 HydrophobicContact CE2-CB 4.46Å; F118-V126 HydrophobicContact CE2-CG1 3.37Å; F118-V126 HydrophobicContact CE2-CG2 4.2Å; F118-V126 HydrophobicContact CZ-CG1 3.92Å; F118-V126 HydrophobicContact CZ-CG2 4.02Å; F118-V128 HydrophobicContact CD2-CG2 4.18Å
119A97.1Very high92.8Very high0 Ų047.6 Ų47.60%028%0.281CS..EExtended strand (participates in β ladder)trans-131.2128.6172.800000111.1H105 F106 V126 R127 I150H105-A119 WeakPolarHBondContact O-CA 3.38Å; F106-A119 HydrophobicContact CD1-CB 3.57Å; F106-A119 HydrophobicContact CE1-CB 3.46Å; F106-A119 VanDerWaalsContact CE1-CB 3.46Å; F106-A119 HydrophobicContact CG-CB 4.48Å; F106-A119 HydrophobicContact CZ-CB 4.3Å; A119-V126 CarbonylContact O-C 3.55Å; A119-V126 WeakPolarHBondContact O-CA 3.39Å; A119-R127 HydrophobicContact CB-CB 4.41Å; A119-R127 PolarHBondContact N-O 3.08Å; A119-R127 PolarHBondContact O-N 3.2Å; A119-I150 HydrophobicContact CB-CD1 3.62Å; A119-I150 HydrophobicContact CB-CG2 3.89Å
120Q95.3Very high92.9Very high31 Ų3149.4 Ų49.415%0.14529%0.285CS..EExtended strand (participates in β ladder)trans-89.4117.9161.3-176.3175.63800107.5M97 F104 H105 F118M97-Q120 VanDerWaalsContact C-NE2 3.34Å; M97-Q120 VanDerWaalsContact O-CD 3.23Å; M97-Q120 WeakPolarHBondContact O-CG 3.33Å; M97-Q120 PolarHBondContact O-NE2 3.32Å; M97-Q120 PolarHBondContact SD-NE2 3.48Å; F104-Q120 WeakPolarHBondContact CA-O 3.36Å; H105-Q120 HydrophobicContact CB-CB 4.27Å; H105-Q120 PolarHBondContact N-O 2.93Å; H105-Q120 PolarHBondContact O-N 3.4Å; F118-Q120 HydrophobicContact CE1-CB 4.31Å
121C93.1Very high93Very high0 Ų047.6 Ų47.60%028%0.279CS..PPolyproline II helixtrans-89.4161.1-174.1-58.70000111.4F104 G123 G124 H125 E154F104-C121 HydrophobicContact CD1-CB 4.32Å; F104-C121 HydrophobicContact CE1-CB 3.94Å; C121-G123 PolarHBondContact O-N 2.67Å; C121-G124 WeakPolarHBondContact O-CA 3.11Å; C121-G124 PolarHBondContact O-N 3.04Å; C121-H125 VanDerWaalsContact CB-NE2 3.3Å; C121-H125 WeakPolarHBondContact CB-NE2 3.47Å; C121-H125 WeakPolarHBondContact CB-O 3.31Å; C121-H125 PolarHBondContact N-O 3.46Å; C121-E154 HydrophobicContact CB-CG 4.48Å
122P88.9Confident93.3Very high40 Ų4050.6 Ų50.626%0.2629%0.291SS..THydrogen-bonded Turntrans-52.8131.4163.7-23.433.8000110.1G102 F104 G124 H125G102-P122 WeakPolarHBondContact O-CG 3.33Å; F104-P122 HydrophobicContact CD2-CG 3.89Å; F104-P122 VanDerWaalsContact CE1-CD 3.44Å; F104-P122 HydrophobicContact CE1-CG 4.44Å; F104-P122 HydrophobicContact CE2-CG 3.65Å; F104-P122 HydrophobicContact CG-CG 4.36Å; F104-P122 HydrophobicContact CZ-CG 3.95Å; P122-G124 VanDerWaalsContact C-N 3.32Å; P122-H125 PolarHBondContact O-CE1 2.94Å; P122-H125 VanDerWaalsContact O-CE1 3.22Å
123G83.3Confident93.6Very high72 Ų7248.5 Ų48.574%0.74227%0.269SS*.THydrogen-bonded Turntrans90.9-11.2-17400000114.6C121C121-G123 PolarHBondContact O-N 2.67Å
124G81.4Confident93.8Very high19 Ų1951.2 Ų51.220%0.19628%0.276CS..SBendtrans91.43.2161.900000117.6M97 C121 P122M97-G124 WeakPolarHBondContact O-CA 3.29Å; C121-G124 WeakPolarHBondContact O-CA 3.11Å; C121-G124 PolarHBondContact O-N 3.04Å; P122-G124 VanDerWaalsContact C-N 3.32Å
125H87.6Confident93.8Very high69 Ų6949.4 Ų49.432%0.31927%0.269SS..  trans-73.4163.8164.260.6-77.3000111.3C121 P122 E154C121-H125 VanDerWaalsContact CB-NE2 3.3Å; C121-H125 WeakPolarHBondContact CB-NE2 3.47Å; C121-H125 WeakPolarHBondContact CB-O 3.31Å; C121-H125 PolarHBondContact N-O 3.46Å; P122-H125 PolarHBondContact O-CE1 2.94Å; P122-H125 VanDerWaalsContact O-CE1 3.22Å; H125-E154 IonicContact CD2-OE1 2.68Å; H125-E154 IonicContact CD2-OE2 3.21Å; H125-E154 IonicContact CE1-OE2 2.94Å; H125-E154 PolarHBondContact CE1-OE2 2.54Å; H125-E154 VanDerWaalsContact NE2-CD 3.27Å; H125-E154 IonicContact NE2-OE1 3.31Å; H125-E154 PolarHBondContact NE2-OE1 2.85Å; H125-E154 IonicContact NE2-OE2 3.24Å; H125-E154 PolarHBondContact NE2-OE2 3.5Å
126V94.6Very high93.7Very high56 Ų5655.1 Ų55.134%0.33931%0.306SS..EExtended strand (participates in β ladder)trans-114.7145.5-174.3172.40000110.5F118 A119 V128F118-V126 HydrophobicContact CD2-CG1 3.86Å; F118-V126 HydrophobicContact CE2-CB 4.46Å; F118-V126 HydrophobicContact CE2-CG1 3.37Å; F118-V126 HydrophobicContact CE2-CG2 4.2Å; F118-V126 HydrophobicContact CZ-CG1 3.92Å; F118-V126 HydrophobicContact CZ-CG2 4.02Å; A119-V126 CarbonylContact O-C 3.55Å; A119-V126 WeakPolarHBondContact O-CA 3.39Å; V126-V128 HydrophobicContact CG1-CG2 4.01Å
127R94.6Very high93.5Very high86 Ų8656.7 Ų56.733%0.32533%0.327SS..EExtended strand (participates in β ladder)trans-121.6140.6166.4-65.4-68.6-179-105-4.7109.7A119 I150 E154A119-R127 HydrophobicContact CB-CB 4.41Å; A119-R127 PolarHBondContact N-O 3.08Å; A119-R127 PolarHBondContact O-N 3.2Å; R127-I150 HydrophobicContact CB-CD1 3.99Å; R127-I150 HydrophobicContact CB-CG1 4.07Å; R127-I150 HydrophobicContact CB-CG2 4.12Å; R127-I150 HydrophobicContact CG-CG2 4.22Å; R127-E154 IonicContact CZ-OE1 2.72Å; R127-E154 IonicContact NE-OE1 2.74Å; R127-E154 PolarHBondContact NE-OE1 2.94Å; R127-E154 IonicContact NH2-OE1 3.15Å; R127-E154 PolarHBondContact NH2-OE1 2.82Å; R127-E154 IonicContact NH2-OE2 3.99Å
128V96.1Very high93.2Very high101 Ų10160.6 Ų60.661%0.61235%0.348SS*.EExtended strand (participates in β ladder)trans-130.8129.9175.6-176.50000108.5V117 F118 V126V117-V128 CarbonylContact O-C 3.49Å; V117-V128 VanDerWaalsContact O-CA 3.28Å; V117-V128 WeakPolarHBondContact O-CA 3.42Å; F118-V128 HydrophobicContact CD2-CG2 4.18Å; V126-V128 HydrophobicContact CG1-CG2 4.01Å
129L95.6Very high93Very high32 Ų3257.4 Ų57.417%0.16833%0.334CS..EExtended strand (participates in β ladder)trans-128.6150.4175.4-64.2-179.7000110.5V117 R149 I150V117-L129 HydrophobicContact CB-CB 4.28Å; V117-L129 PolarHBondContact N-O 3.34Å; V117-L129 PolarHBondContact O-N 3.47Å; L129-R149 HydrophobicContact CD1-CB 3.66Å; L129-I150 HydrophobicContact CD1-CD1 3.99Å; L129-I150 HydrophobicContact CD1-CG1 3.52Å; L129-I150 HydrophobicContact CG-CD1 4.14Å; L129-I150 HydrophobicContact CG-CG1 4Å
130K96.3Very high92.7Very high112 Ų11262.7 Ų62.749%0.48738%0.378SS..EExtended strand (participates in β ladder)trans-126123.4169.9-167.7176.5-160.579.90108.4F114 T115 D116F114-K130 HydrophobicContact CB-CD 4.44Å; F114-K130 HydrophobicContact CB-CG 4.1Å; F114-K130 HydrophobicContact CD1-CD 4.3Å; F114-K130 HydrophobicContact CD1-CG 4.12Å; F114-K130 HydrophobicContact CG-CD 4.32Å; F114-K130 HydrophobicContact CG-CG 4.29Å; T115-K130 WeakPolarHBondContact O-CA 3.15Å; D116-K130 WeakPolarHBondContact OD1-CG 3.47Å; D116-K130 IonicContact OD1-NZ 3.24Å; D116-K130 PolarHBondContact OD1-NZ 2.93Å; D116-K130 IonicContact OD2-NZ 2.82Å; D116-K130 PolarHBondContact OD2-NZ 3.43Å
131L97.2Very high92.6Very high6 Ų663.9 Ų63.93%0.03139%0.385CS..EExtended strand (participates in β ladder)trans-119.5155.1179.9-63.6179000109.8F114 T115 S133 A142 E145 R149F114-L131 CarbonylContact C-O 3.56Å; F114-L131 WeakPolarHBondContact CA-O 3.47Å; T115-L131 PolarHBondContact N-O 3.05Å; T115-L131 PolarHBondContact O-N 3.07Å; L131-S133 PolarHBondContact O-N 3.32Å; L131-A142 HydrophobicContact CB-CB 4.36Å; L131-A142 VanDerWaalsContact CD1-O 3.29Å; L131-A142 WeakPolarHBondContact CD1-O 3.26Å; L131-E145 HydrophobicContact CD1-CB 4.07Å; L131-E145 HydrophobicContact CD1-CG 3.92Å; L131-R149 VanDerWaalsContact CD2-CZ 3.47Å
132L97.3Very high92.7Very high76 Ų7663.9 Ų63.940%0.39839%0.385SS..EExtended strand (participates in β ladder)trans-63.7133.1162.9-68.8170.7000108F114 E134 D135 Y139 A142F114-L132 HydrophobicContact CD1-CD2 4.08Å; F114-L132 HydrophobicContact CE1-CD2 3.64Å; F114-L132 HydrophobicContact CZ-CD2 4.37Å; L132-E134 PolarHBondContact O-N 3.29Å; L132-D135 HydrophobicContact CB-CB 4.14Å; L132-D135 HydrophobicContact CD1-CB 4.33Å; L132-Y139 PolarHBondContact N-OH 3.43Å; L132-Y139 VanDerWaalsContact N-OH 3.17Å; L132-Y139 WeakPolarHBondContact O-CE2 3.38Å; L132-Y139 PolarHBondContact O-OH 3.45Å; L132-A142 WeakPolarHBondContact O-CB 3.36Å
133S93.9Very high93Very high4 Ų462.1 Ų62.13%0.02837%0.374CS..SBendtrans-64.2-28.6178.1-70.40000112.4R110 G111 T113 F114 T115 L131R110-S133 PolarHBondContact NH1-O 3.04Å; R110-S133 PolarHBondContact NH2-O 3.45Å; G111-S133 WeakPolarHBondContact O-CB 3.33Å; G111-S133 PolarHBondContact O-OG 3.42Å; T113-S133 PolarHBondContact O-N 3.02Å; F114-S133 WeakPolarHBondContact CA-OG 3.33Å; F114-S133 PolarHBondContact N-OG 3.48Å; F114-S133 PolarHBondContact O-OG 3.09Å; F114-S133 VanDerWaalsContact O-OG 3.05Å; T115-S133 PolarHBondContact N-OG 3.25Å; T115-S133 PolarHBondContact OG1-OG 2.69Å; T115-S133 VanDerWaalsContact OG1-OG 3.07Å; L131-S133 PolarHBondContact O-N 3.32Å
134E93.5Very high93.6Very high152 Ų15261.8 Ų61.871%0.7136%0.357SS*.  trans-131.7116.6175.6-68.8-179.2-164.200109.4L132L132-E134 PolarHBondContact O-N 3.29Å
135D95.4Very high94.3Very high36 Ų3661.1 Ų61.119%0.19335%0.349CS..BIsolated β-bridgetrans-153.168.6174.6-174.84.1000110L132 A137 N138 Y139L132-D135 HydrophobicContact CB-CB 4.14Å; L132-D135 HydrophobicContact CD1-CB 4.33Å; D135-A137 PolarHBondContact O-N 3.21Å; D135-N138 PolarHBondContact O-N 3.09Å; D135-N138 PolarHBondContact OD1-ND2 3.49Å; D135-N138 WeakPolarHBondContact OD2-CB 3.4Å; D135-N138 PolarHBondContact OD2-ND2 3.37Å; D135-Y139 CarbonylContact C-O 3.58Å; D135-Y139 HydrophobicContact CB-CE1 3.97Å; D135-Y139 HydrophobicContact CB-CE2 3.91Å; D135-Y139 PolarHBondContact O-N 3.33Å
136P93Very high94.7Very high120 Ų12057.8 Ų57.878%0.77933%0.334SS*.THydrogen-bonded Turntrans-63.5-17.1-171.625.4-34.4000113.6N138P136-N138 VanDerWaalsContact C-N 3.27Å
137A92.6Very high94.8Very high92 Ų9255.8 Ų55.876%0.7632%0.321SS*.THydrogen-bonded Turntrans-71-24.3174.600000112.7D135D135-A137 PolarHBondContact O-N 3.21Å
138N91.6Very high94.9Very high84 Ų8452.1 Ų52.145%0.44931%0.307SS..THydrogen-bonded Turntrans-114-38-174.4-67.4-74.8000112.7D135 P136 R161D135-N138 PolarHBondContact O-N 3.09Å; D135-N138 PolarHBondContact OD1-ND2 3.49Å; D135-N138 WeakPolarHBondContact OD2-CB 3.4Å; D135-N138 PolarHBondContact OD2-ND2 3.37Å; P136-N138 VanDerWaalsContact C-N 3.27Å; N138-R161 VanDerWaalsContact O-CZ 3.3Å; N138-R161 PolarHBondContact O-NH1 3.4Å
139Y93.7Very high94.9Very high17 Ų1750.9 Ų50.97%0.06729%0.291CS..BIsolated β-bridgetrans-156.8149.9-178.445.8-94.4000111.4L132 D135 A142 E145L132-Y139 PolarHBondContact N-OH 3.43Å; L132-Y139 VanDerWaalsContact N-OH 3.17Å; L132-Y139 WeakPolarHBondContact O-CE2 3.38Å; L132-Y139 PolarHBondContact O-OH 3.45Å; D135-Y139 CarbonylContact C-O 3.58Å; D135-Y139 HydrophobicContact CB-CE1 3.97Å; D135-Y139 HydrophobicContact CB-CE2 3.91Å; D135-Y139 PolarHBondContact O-N 3.33Å; Y139-A142 HydrophobicContact CE2-CB 3.87Å; Y139-E145 HydrophobicContact CD1-CB 4.25Å; Y139-E145 HydrophobicContact CD1-CG 3.62Å; Y139-E145 HydrophobicContact CD2-CB 4.03Å; Y139-E145 HydrophobicContact CD2-CG 4.28Å; Y139-E145 HydrophobicContact CE1-CG 4.16Å; Y139-E145 HydrophobicContact CG-CB 3.79Å; Y139-E145 HydrophobicContact CG-CG 3.68Å
140A91.1Very high94.9Very high112 Ų11249.4 Ų49.493%0.92628%0.283SS*.SBendtrans-74.3-36.3-18000000112.8
141D93.1Very high94.8Very high56 Ų5644.9 Ų44.930%0.29926%0.264SS..  trans-142.5127.4-175177.462.4000111.7R110 P143 T144 E145R110-D141 IonicContact NH1-OD1 2.91Å; R110-D141 PolarHBondContact NH1-OD1 3.39Å; D141-P143 WeakPolarHBondContact OD1-CD 3.37Å; D141-P143 WeakPolarHBondContact OD2-CB 3.3Å; D141-P143 WeakPolarHBondContact OD2-CD 3.22Å; D141-T144 WeakPolarHBondContact OD2-CB 3.35Å; D141-T144 PolarHBondContact OD2-N 2.72Å; D141-T144 PolarHBondContact OD2-OG1 3.35Å; D141-E145 WeakPolarHBondContact O-CB 3.44Å; D141-E145 PolarHBondContact O-N 3.19Å
142A95.3Very high94.7Very high0 Ų046.4 Ų46.40%027%0.271CS..Hα-helixtrans-69.1-46.1-175.100000113.6T115 L131 L132 Y139 T144 E145 G146T115-A142 HydrophobicContact CG2-CB 4.27Å; T115-A142 WeakPolarHBondContact OG1-CB 3.35Å; L131-A142 HydrophobicContact CB-CB 4.36Å; L131-A142 VanDerWaalsContact CD1-O 3.29Å; L131-A142 WeakPolarHBondContact CD1-O 3.26Å; L132-A142 WeakPolarHBondContact O-CB 3.36Å; Y139-A142 HydrophobicContact CE2-CB 3.87Å; A142-T144 PolarHBondContact O-N 2.74Å; A142-E145 PolarHBondContact O-N 2.84Å; A142-G146 PolarHBondContact O-N 3.41Å
143P95.6Very high94.4Very high3 Ų347.9 Ų47.92%0.01928%0.276CS..Hα-helixtrans-51.3-50.8170.2-29.831.9000114.1I108 T115 D141 E145 G146 I147 M175I108-P143 HydrophobicContact CD1-CB 4.05Å; I108-P143 HydrophobicContact CG2-CB 4.11Å; I108-P143 HydrophobicContact CG2-CG 4.15Å; T115-P143 HydrophobicContact CG2-CG 4.25Å; D141-P143 WeakPolarHBondContact OD1-CD 3.37Å; D141-P143 WeakPolarHBondContact OD2-CB 3.3Å; D141-P143 WeakPolarHBondContact OD2-CD 3.22Å; P143-E145 PolarHBondContact O-N 2.68Å; P143-G146 PolarHBondContact O-N 2.8Å; P143-I147 WeakPolarHBondContact O-CG1 3.18Å; P143-I147 PolarHBondContact O-N 2.98Å; P143-M175 HydrophobicContact CB-CE 3.4Å; P143-M175 HydrophobicContact CG-CE 3.68Å; P143-M175 HydrophobicContact CG-SD 4.23Å
144T95.5Very high94.2Very high64 Ų6450.3 Ų50.339%0.39329%0.287SS..Hα-helixtrans-63.1-44.2-179.2-55.90000111.2D141 A142 G146 I147 R148 L165D141-T144 WeakPolarHBondContact OD2-CB 3.35Å; D141-T144 PolarHBondContact OD2-N 2.72Å; D141-T144 PolarHBondContact OD2-OG1 3.35Å; A142-T144 PolarHBondContact O-N 2.74Å; T144-G146 VanDerWaalsContact C-N 3.32Å; T144-G146 PolarHBondContact O-N 3.31Å; T144-I147 PolarHBondContact O-N 3.27Å; T144-R148 WeakPolarHBondContact O-CB 3.3Å; T144-R148 PolarHBondContact O-N 3.39Å; T144-L165 HydrophobicContact CG2-CD1 3.96Å
145E96.8Very high93.9Very high5 Ų546.3 Ų46.32%0.02328%0.28CS..Hα-helixtrans-63.1-37.1174.817769.2179.700112.3L131 Y139 D141 A142 P143 R148 R149 R161L131-E145 HydrophobicContact CD1-CB 4.07Å; L131-E145 HydrophobicContact CD1-CG 3.92Å; Y139-E145 HydrophobicContact CD1-CB 4.25Å; Y139-E145 HydrophobicContact CD1-CG 3.62Å; Y139-E145 HydrophobicContact CD2-CB 4.03Å; Y139-E145 HydrophobicContact CD2-CG 4.28Å; Y139-E145 HydrophobicContact CE1-CG 4.16Å; Y139-E145 HydrophobicContact CG-CB 3.79Å; Y139-E145 HydrophobicContact CG-CG 3.68Å; D141-E145 WeakPolarHBondContact O-CB 3.44Å; D141-E145 PolarHBondContact O-N 3.19Å; A142-E145 PolarHBondContact O-N 2.84Å; P143-E145 PolarHBondContact O-N 2.68Å; E145-R148 WeakPolarHBondContact O-CB 3.49Å; E145-R148 PolarHBondContact O-N 3.28Å; E145-R149 HydrophobicContact CG-CG 4.48Å; E145-R149 WeakPolarHBondContact O-CG 3.46Å; E145-R149 PolarHBondContact O-N 3.39Å; E145-R149 IonicContact OE1-CZ 3.52Å; E145-R149 VanDerWaalsContact OE1-CZ 3.3Å; E145-R149 IonicContact OE1-NE 2.93Å; E145-R149 PolarHBondContact OE1-NE 3.06Å; E145-R149 IonicContact OE1-NH2 2.67Å; E145-R149 PolarHBondContact OE1-NH2 2.82Å; E145-R161 IonicContact OE1-CZ 2.68Å; E145-R161 IonicContact OE1-NE 3.5Å; E145-R161 IonicContact OE1-NH2 3.34Å; E145-R161 PolarHBondContact OE1-NH2 3.5Å; E145-R161 IonicContact OE2-CZ 3.85Å; E145-R161 IonicContact OE2-NE 3.97Å; E145-R161 PolarHBondContact OE2-NE 2.72Å; E145-R161 IonicContact OE2-NH2 3.87Å
146G96.7Very high93.4Very high0 Ų048 Ų480%031%0.306CS..Hα-helixtrans-63.7-45.6177.400000112.6A142 P143 T144 R148 I150A142-G146 PolarHBondContact O-N 3.41Å; P143-G146 PolarHBondContact O-N 2.8Å; T144-G146 VanDerWaalsContact C-N 3.32Å; T144-G146 PolarHBondContact O-N 3.31Å; G146-R148 VanDerWaalsContact C-N 3.35Å; G146-I150 WeakPolarHBondContact O-CG1 3.27Å; G146-I150 PolarHBondContact O-N 2.93Å
147I96.8Very high93.1Very high13 Ų1347.6 Ų47.67%0.06730%0.295CS..Hα-helixtrans-60.4-48172.9-64.8169.8000109.6F106 I108 P143 T144 R149 I150 L151 L165 I170 I173F106-I147 HydrophobicContact CD1-CG1 3.94Å; F106-I147 HydrophobicContact CD2-CG1 4.37Å; F106-I147 HydrophobicContact CE1-CB 4.31Å; F106-I147 HydrophobicContact CE1-CG1 4.06Å; F106-I147 HydrophobicContact CE1-CG2 4.24Å; F106-I147 HydrophobicContact CE2-CG1 4.48Å; F106-I147 HydrophobicContact CE2-CG2 3.95Å; F106-I147 HydrophobicContact CG-CG1 4.11Å; F106-I147 HydrophobicContact CZ-CB 4.35Å; F106-I147 HydrophobicContact CZ-CG1 4.34Å; F106-I147 HydrophobicContact CZ-CG2 3.77Å; I108-I147 HydrophobicContact CD1-CD1 3.9Å; I108-I147 HydrophobicContact CD1-CG1 3.93Å; P143-I147 WeakPolarHBondContact O-CG1 3.18Å; P143-I147 PolarHBondContact O-N 2.98Å; T144-I147 PolarHBondContact O-N 3.27Å; I147-R149 PolarHBondContact O-N 2.82Å; I147-I150 PolarHBondContact O-N 3.31Å; I147-L151 HydrophobicContact CG2-CD1 3.83Å; I147-L151 HydrophobicContact CG2-CG 4.19Å; I147-L151 WeakPolarHBondContact O-CG 3.38Å; I147-L151 PolarHBondContact O-N 3.25Å; I147-L165 HydrophobicContact CB-CD1 4.04Å; I147-L165 HydrophobicContact CG2-CD1 3.78Å; I147-I170 HydrophobicContact CG2-CD1 3.9Å; I147-I173 HydrophobicContact CD1-CD1 3.75Å; I147-I173 HydrophobicContact CD1-CG1 4.35Å; I147-I173 HydrophobicContact CD1-CG2 4.48Å
148R96.4Very high93Very high9 Ų950.2 Ų50.23%0.03430%0.296CS..Hα-helixtrans-53.4-55179.6-176.3177.3-60.1-781.6112.2T144 E145 G146 I150 L151 E152 L159 P160 R161 Q163 L165T144-R148 WeakPolarHBondContact O-CB 3.3Å; T144-R148 PolarHBondContact O-N 3.39Å; E145-R148 WeakPolarHBondContact O-CB 3.49Å; E145-R148 PolarHBondContact O-N 3.28Å; G146-R148 VanDerWaalsContact C-N 3.35Å; R148-I150 PolarHBondContact O-N 3.37Å; R148-L151 PolarHBondContact O-N 3.22Å; R148-L151 VanDerWaalsContact O-N 3.13Å; R148-E152 HydrophobicContact CG-CG 4.31Å; R148-E152 VanDerWaalsContact O-CG 3.3Å; R148-E152 WeakPolarHBondContact O-CG 3.28Å; R148-E152 PolarHBondContact O-N 3.07Å; R148-L159 HydrophobicContact CG-CB 4.1Å; R148-L159 PolarHBondContact NH1-O 2.91Å; R148-P160 VanDerWaalsContact CZ-O 3.23Å; R148-P160 VanDerWaalsContact NH1-C 3.29Å; R148-P160 PolarHBondContact NH1-O 3.47Å; R148-P160 PolarHBondContact NH2-O 3.2Å; R148-R161 PolarHBondContact NH2-O 2.96Å; R148-Q163 PolarHBondContact NH2-O 2.88Å; R148-L165 HydrophobicContact CB-CD1 4.15Å; R148-L165 HydrophobicContact CB-CD2 3.94Å; R148-L165 HydrophobicContact CG-CD2 4Å; R148-L165 VanDerWaalsContact CZ-CD2 3.5Å
149R96.2Very high92.9Very high76 Ų7648.1 Ų48.129%0.28728%0.284SS..Hα-helixtrans-59.3-36.1-178.3-71.5-177.8-168.9-1719.2112.7L129 L131 E145 I147 Q153L129-R149 HydrophobicContact CD1-CB 3.66Å; L131-R149 VanDerWaalsContact CD2-CZ 3.47Å; E145-R149 HydrophobicContact CG-CG 4.48Å; E145-R149 WeakPolarHBondContact O-CG 3.46Å; E145-R149 PolarHBondContact O-N 3.39Å; E145-R149 IonicContact OE1-CZ 3.52Å; E145-R149 VanDerWaalsContact OE1-CZ 3.3Å; E145-R149 IonicContact OE1-NE 2.93Å; E145-R149 PolarHBondContact OE1-NE 3.06Å; E145-R149 IonicContact OE1-NH2 2.67Å; E145-R149 PolarHBondContact OE1-NH2 2.82Å; I147-R149 PolarHBondContact O-N 2.82Å; R149-Q153 WeakPolarHBondContact O-CB 3.28Å; R149-Q153 WeakPolarHBondContact O-CG 3.24Å; R149-Q153 PolarHBondContact O-N 2.68Å; R149-Q153 VanDerWaalsContact O-N 3.08Å
150I95.4Very high92.7Very high0 Ų050.2 Ų50.20%030%0.3CS..Hα-helixtrans-70.1-46177.2-68.4175.3000110.2F104 F106 V117 A119 R127 L129 G146 I147 R148 E152 Q153 E154F104-I150 HydrophobicContact CD1-CG2 4.45Å; F104-I150 HydrophobicContact CE1-CG2 4.15Å; F106-I150 HydrophobicContact CE1-CB 4.14Å; F106-I150 HydrophobicContact CE1-CD1 4.04Å; F106-I150 HydrophobicContact CE1-CG2 4.02Å; F106-I150 HydrophobicContact CZ-CG2 4.31Å; V117-I150 HydrophobicContact CG1-CD1 3.71Å; A119-I150 HydrophobicContact CB-CD1 3.62Å; A119-I150 HydrophobicContact CB-CG2 3.89Å; R127-I150 HydrophobicContact CB-CD1 3.99Å; R127-I150 HydrophobicContact CB-CG1 4.07Å; R127-I150 HydrophobicContact CB-CG2 4.12Å; R127-I150 HydrophobicContact CG-CG2 4.22Å; L129-I150 HydrophobicContact CD1-CD1 3.99Å; L129-I150 HydrophobicContact CD1-CG1 3.52Å; L129-I150 HydrophobicContact CG-CD1 4.14Å; L129-I150 HydrophobicContact CG-CG1 4Å; G146-I150 WeakPolarHBondContact O-CG1 3.27Å; G146-I150 PolarHBondContact O-N 2.93Å; I147-I150 PolarHBondContact O-N 3.31Å; R148-I150 PolarHBondContact O-N 3.37Å; I150-E152 VanDerWaalsContact C-N 3.32Å; I150-E152 PolarHBondContact O-N 2.73Å; I150-Q153 PolarHBondContact O-N 2.62Å; I150-E154 HydrophobicContact CG2-CG 4.49Å; I150-E154 WeakPolarHBondContact O-CG 3.25Å; I150-E154 PolarHBondContact O-N 3.19Å
151L94.1Very high92.5Very high17 Ų1751.3 Ų51.39%0.08928%0.28CS..Hα-helixtrans-60.9-40.9176.2-66.9177.6000111.9F104 F106 I147 R148 Q153 E154 A155 L159 L165 I170F104-L151 HydrophobicContact CD1-CD2 4.34Å; F104-L151 HydrophobicContact CD2-CD2 3.66Å; F104-L151 HydrophobicContact CE1-CD2 4.19Å; F104-L151 HydrophobicContact CE2-CD2 3.51Å; F104-L151 HydrophobicContact CG-CD2 4.1Å; F104-L151 HydrophobicContact CZ-CD2 3.79Å; F106-L151 HydrophobicContact CZ-CD2 4.44Å; I147-L151 HydrophobicContact CG2-CD1 3.83Å; I147-L151 HydrophobicContact CG2-CG 4.19Å; I147-L151 WeakPolarHBondContact O-CG 3.38Å; I147-L151 PolarHBondContact O-N 3.25Å; R148-L151 PolarHBondContact O-N 3.22Å; R148-L151 VanDerWaalsContact O-N 3.13Å; L151-Q153 PolarHBondContact O-N 3.21Å; L151-E154 PolarHBondContact O-N 2.76Å; L151-A155 WeakPolarHBondContact O-CB 3.38Å; L151-A155 PolarHBondContact O-N 3.27Å; L151-L159 HydrophobicContact CB-CD1 3.63Å; L151-L159 HydrophobicContact CD1-CD1 4.26Å; L151-L165 HydrophobicContact CD1-CD2 4.38Å; L151-I170 HydrophobicContact CD1-CD1 4.38Å
152E93.9Very high92.2Very high38 Ų3855.3 Ų55.318%0.17830%0.301CS..Hα-helixtrans-62.2-41.7175.8-69.6177.9149.300112.3R148 I150 G156 M157 L159R148-E152 HydrophobicContact CG-CG 4.31Å; R148-E152 VanDerWaalsContact O-CG 3.3Å; R148-E152 WeakPolarHBondContact O-CG 3.28Å; R148-E152 PolarHBondContact O-N 3.07Å; I150-E152 VanDerWaalsContact C-N 3.32Å; I150-E152 PolarHBondContact O-N 2.73Å; E152-G156 WeakPolarHBondContact O-CA 2.98Å; E152-G156 PolarHBondContact O-N 3.46Å; E152-M157 VanDerWaalsContact CA-O 3.27Å; E152-M157 WeakPolarHBondContact CA-O 3.36Å; E152-M157 WeakPolarHBondContact CB-O 3.12Å; E152-M157 WeakPolarHBondContact CG-O 3.16Å; E152-M157 PolarHBondContact O-N 2.91Å; E152-L159 HydrophobicContact CG-CB 3.92Å; E152-L159 HydrophobicContact CG-CD1 4.12Å; E152-L159 HydrophobicContact CG-CG 3.84Å; E152-L159 PolarHBondContact OE1-N 3.23Å
153Q91.3Very high91.8Very high107 Ų10760.5 Ų60.550%0.533%0.326SS..Hα-helixtrans-64.9-39.3177.4-76.6171.42.400112.3R149 I150 L151R149-Q153 WeakPolarHBondContact O-CB 3.28Å; R149-Q153 WeakPolarHBondContact O-CG 3.24Å; R149-Q153 PolarHBondContact O-N 2.68Å; R149-Q153 VanDerWaalsContact O-N 3.08Å; I150-Q153 PolarHBondContact O-N 2.62Å; L151-Q153 PolarHBondContact O-N 3.21Å
154E89.8Confident91.6Very high55 Ų5566.5 Ų66.526%0.25737%0.365SS..Hα-helixtrans-81.6-36.9-178.5-65.9-50.2128.400113.4F104 C121 H125 R127 I150 L151F104-E154 HydrophobicContact CE1-CB 4.17Å; F104-E154 HydrophobicContact CE1-CG 3.73Å; F104-E154 HydrophobicContact CZ-CB 3.72Å; F104-E154 HydrophobicContact CZ-CG 3.81Å; C121-E154 HydrophobicContact CB-CG 4.48Å; H125-E154 IonicContact CD2-OE1 2.68Å; H125-E154 IonicContact CD2-OE2 3.21Å; H125-E154 IonicContact CE1-OE2 2.94Å; H125-E154 PolarHBondContact CE1-OE2 2.54Å; H125-E154 VanDerWaalsContact NE2-CD 3.27Å; H125-E154 IonicContact NE2-OE1 3.31Å; H125-E154 PolarHBondContact NE2-OE1 2.85Å; H125-E154 IonicContact NE2-OE2 3.24Å; H125-E154 PolarHBondContact NE2-OE2 3.5Å; R127-E154 IonicContact CZ-OE1 2.72Å; R127-E154 IonicContact NE-OE1 2.74Å; R127-E154 PolarHBondContact NE-OE1 2.94Å; R127-E154 IonicContact NH2-OE1 3.15Å; R127-E154 PolarHBondContact NH2-OE1 2.82Å; R127-E154 IonicContact NH2-OE2 3.99Å; I150-E154 HydrophobicContact CG2-CG 4.49Å; I150-E154 WeakPolarHBondContact O-CG 3.25Å; I150-E154 PolarHBondContact O-N 3.19Å; L151-E154 PolarHBondContact O-N 2.76Å
155A86.8Confident91.4Very high68 Ų6865.2 Ų65.256%0.56236%0.355SS*.Hα-helixtrans-82.7-17.2177.700000112.8L151 M157L151-A155 WeakPolarHBondContact O-CB 3.38Å; L151-A155 PolarHBondContact O-N 3.27Å; A155-M157 HydrophobicContact CB-CG 3.85Å; A155-M157 PolarHBondContact O-N 2.92Å
156G86.6Confident91.1Very high72 Ų7270 Ų7074%0.74238%0.381SS*.SBendtrans67.918.2-176.600000113.9E152E152-G156 WeakPolarHBondContact O-CA 2.98Å; E152-G156 PolarHBondContact O-N 3.46Å
157M86.3Confident90.8Very high111 Ų11173.9 Ų73.955%0.54741%0.408SS..SBendtrans-129.4146.7179.966.6177.9-71.400110.8E152 A155 L159E152-M157 VanDerWaalsContact CA-O 3.27Å; E152-M157 WeakPolarHBondContact CA-O 3.36Å; E152-M157 WeakPolarHBondContact CB-O 3.12Å; E152-M157 WeakPolarHBondContact CG-O 3.16Å; E152-M157 PolarHBondContact O-N 2.91Å; A155-M157 HydrophobicContact CB-CG 3.85Å; A155-M157 PolarHBondContact O-N 2.92Å; M157-L159 HydrophobicContact CE-CD2 4.19Å; M157-L159 HydrophobicContact CG-CD2 4.46Å
158L89.5Confident90.4Very high147 Ų14776.3 Ų76.377%0.7743%0.427SS*.  trans-76.2137.4174.7-65.7175000110.3
159L90.3Very high90.1Very high40 Ų4081.2 Ų81.221%0.20945%0.449CS..  trans-109.6119179.5-65.6176.9000109.2R148 L151 E152 M157 R161 L165R148-L159 HydrophobicContact CG-CB 4.1Å; R148-L159 PolarHBondContact NH1-O 2.91Å; L151-L159 HydrophobicContact CB-CD1 3.63Å; L151-L159 HydrophobicContact CD1-CD1 4.26Å; E152-L159 HydrophobicContact CG-CB 3.92Å; E152-L159 HydrophobicContact CG-CD1 4.12Å; E152-L159 HydrophobicContact CG-CG 3.84Å; E152-L159 PolarHBondContact OE1-N 3.23Å; M157-L159 HydrophobicContact CE-CD2 4.19Å; M157-L159 HydrophobicContact CG-CD2 4.46Å; L159-R161 PolarHBondContact O-N 3.33Å; L159-L165 HydrophobicContact CB-CD2 4.42Å; L159-L165 HydrophobicContact CD1-CD2 3.9Å
160P90Very high90Very high61 Ų6178.7 Ų78.740%0.39644%0.441SS..  trans-57126.9-176.1-22.631.2000113.2R148 D162 Q163R148-P160 VanDerWaalsContact CZ-O 3.23Å; R148-P160 VanDerWaalsContact NH1-C 3.29Å; R148-P160 PolarHBondContact NH1-O 3.47Å; R148-P160 PolarHBondContact NH2-O 3.2Å; P160-D162 VanDerWaalsContact C-N 3.27Å; P160-D162 VanDerWaalsContact CB-OD1 3.23Å; P160-D162 WeakPolarHBondContact CB-OD1 3.27Å; P160-D162 PolarHBondContact O-N 2.97Å; P160-Q163 HydrophobicContact CB-CB 4.31Å; P160-Q163 HydrophobicContact CB-CG 4.15Å; P160-Q163 PolarHBondContact O-N 3.41Å
161R86.6Confident90Very high136 Ų13680.4 Ų80.451%0.51346%0.456SS..THydrogen-bonded Turntrans-65.4-27.6-175.5-76.9-173.7171154.48.6114.3N138 E145 R148 L159 Q163N138-R161 VanDerWaalsContact O-CZ 3.3Å; N138-R161 PolarHBondContact O-NH1 3.4Å; E145-R161 IonicContact OE1-CZ 2.68Å; E145-R161 IonicContact OE1-NE 3.5Å; E145-R161 IonicContact OE1-NH2 3.34Å; E145-R161 PolarHBondContact OE1-NH2 3.5Å; E145-R161 IonicContact OE2-CZ 3.85Å; E145-R161 IonicContact OE2-NE 3.97Å; E145-R161 PolarHBondContact OE2-NE 2.72Å; E145-R161 IonicContact OE2-NH2 3.87Å; R148-R161 PolarHBondContact NH2-O 2.96Å; L159-R161 PolarHBondContact O-N 3.33Å; R161-Q163 VanDerWaalsContact C-N 3.29Å
162D86.4Confident90.1Very high139 Ų13981 Ų8174%0.74346%0.461SS*.THydrogen-bonded Turntrans-82-6-179.561-30.6000113.5P160P160-D162 VanDerWaalsContact C-N 3.27Å; P160-D162 VanDerWaalsContact CB-OD1 3.23Å; P160-D162 WeakPolarHBondContact CB-OD1 3.27Å; P160-D162 PolarHBondContact O-N 2.97Å
163Q88Confident90.2Very high109 Ų10983.2 Ų83.251%0.50947%0.474SS..SBendtrans-110145179.8-64.4178.533.400111.5R148 P160 R161R148-Q163 PolarHBondContact NH2-O 2.88Å; P160-Q163 HydrophobicContact CB-CB 4.31Å; P160-Q163 HydrophobicContact CB-CG 4.15Å; P160-Q163 PolarHBondContact O-N 3.41Å; R161-Q163 VanDerWaalsContact C-N 3.29Å
164P90.1Very high90.5Very high129 Ų12985.6 Ų85.684%0.83848%0.478SS*.PPolyproline II helixtrans-53.9140.7170.1-23.933.7000111.2
165L91.4Very high90.7Very high37 Ų3788 Ų8819%0.19449%0.49CS..PPolyproline II helixtrans-70.6137.9173.9-70.6171.9000110T144 I147 R148 L151 L159 S167T144-L165 HydrophobicContact CG2-CD1 3.96Å; I147-L165 HydrophobicContact CB-CD1 4.04Å; I147-L165 HydrophobicContact CG2-CD1 3.78Å; R148-L165 HydrophobicContact CB-CD1 4.15Å; R148-L165 HydrophobicContact CB-CD2 3.94Å; R148-L165 HydrophobicContact CG-CD2 4Å; R148-L165 VanDerWaalsContact CZ-CD2 3.5Å; L151-L165 HydrophobicContact CD1-CD2 4.38Å; L159-L165 HydrophobicContact CB-CD2 4.42Å; L159-L165 HydrophobicContact CD1-CD2 3.9Å; L165-S167 PolarHBondContact O-N 3.09Å
166D89.8Confident91Very high105 Ų10586.5 Ų86.556%0.56148%0.482SS*.PPolyproline II helixtrans-68.6116.6168-179.516.4000109.7S168D166-S168 WeakPolarHBondContact OD1-CB 3.36Å; D166-S168 PolarHBondContact OD1-N 3.08Å; D166-S168 PolarHBondContact OD1-OG 3.04Å; D166-S168 VanDerWaalsContact OD1-OG 3.04Å; D166-S168 PolarHBondContact OD2-OG 3.02Å
167S90.5Very high91.2Very high83 Ų8386.4 Ų86.458%0.5847%0.467SS*.  trans-93.51.1179.9650000113.5L165 H169 I170L165-S167 PolarHBondContact O-N 3.09Å; S167-H169 PolarHBondContact O-N 3.41Å; S167-H169 VanDerWaalsContact O-N 3.16Å; S167-I170 PolarHBondContact O-N 3.36Å
168S90.3Very high91.2Very high64 Ų6483.5 Ų83.545%0.44846%0.455SS..THydrogen-bonded Turntrans-54.4-35.3-176.665.80000113.2D166D166-S168 WeakPolarHBondContact OD1-CB 3.36Å; D166-S168 PolarHBondContact OD1-N 3.08Å; D166-S168 PolarHBondContact OD1-OG 3.04Å; D166-S168 VanDerWaalsContact OD1-OG 3.04Å; D166-S168 PolarHBondContact OD2-OG 3.02Å
169H89.3Confident91Very high111 Ų11180 Ų8051%0.51444%0.44SS..THydrogen-bonded Turntrans-923.5179.1-64.6-72.4000114R103 F104 S167R103-H169 CarbonylContact C-O 3.49Å; R103-H169 VanDerWaalsContact CA-O 3.24Å; R103-H169 WeakPolarHBondContact CA-O 3.49Å; R103-H169 VanDerWaalsContact CB-O 3.25Å; R103-H169 WeakPolarHBondContact CB-O 3.24Å; F104-H169 HydrophobicContact CD2-CB 4.28Å; F104-H169 WeakPolarHBondContact CD2-O 3.4Å; F104-H169 PolarHBondContact N-O 2.89Å; S167-H169 PolarHBondContact O-N 3.41Å; S167-H169 VanDerWaalsContact O-N 3.16Å
170I94.1Very high90.6Very high23 Ų2381.5 Ų81.512%0.11846%0.458CS..EExtended strand (participates in β ladder)trans-101.3117.9-179.8-52.5-179000109.1F104 F106 I147 L151 S167 I173F104-I170 HydrophobicContact CB-CG1 4.5Å; F106-I170 HydrophobicContact CD2-CG2 3.81Å; F106-I170 HydrophobicContact CE2-CD1 3.98Å; F106-I170 HydrophobicContact CE2-CG1 4.04Å; F106-I170 HydrophobicContact CE2-CG2 3.99Å; I147-I170 HydrophobicContact CG2-CD1 3.9Å; L151-I170 HydrophobicContact CD1-CD1 4.38Å; S167-I170 PolarHBondContact O-N 3.36Å; I170-I173 HydrophobicContact CG2-CD1 4.17Å; I170-I173 HydrophobicContact CG2-CG1 3.74Å
171A95.4Very high90.3Very high36 Ų3682.5 Ų82.530%0.29846%0.463SS..EExtended strand (participates in β ladder)trans-83.2-37177.700000112.3R103 F104 H105R103-A171 HydrophobicContact CB-CB 3.69Å; F104-A171 PolarHBondContact O-N 2.82Å; H105-A171 WeakPolarHBondContact CE1-CB 3.48Å
172S95.9Very high90.3Very high30 Ų3078.6 Ų78.621%0.2145%0.452CS..EExtended strand (participates in β ladder)trans-156.2146.3179.466.90000112.7F104 H105 F106F104-S172 PolarHBondContact O-N 3.21Å; H105-S172 PolarHBondContact ND1-OG 2.89Å; F106-S172 PolarHBondContact N-O 2.72Å
173I96.7Very high90.2Very high85 Ų8573.5 Ų73.544%0.43643%0.429SS..EExtended strand (participates in β ladder)trans-124.7118167.1-57.1170.4000107.1F106 I108 I147 I170F106-I173 HydrophobicContact CB-CG1 4.32Å; F106-I173 HydrophobicContact CB-CG2 4.37Å; F106-I173 HydrophobicContact CD2-CG1 4.23Å; I108-I173 HydrophobicContact CD1-CG2 4.19Å; I147-I173 HydrophobicContact CD1-CD1 3.75Å; I147-I173 HydrophobicContact CD1-CG1 4.35Å; I147-I173 HydrophobicContact CD1-CG2 4.48Å; I170-I173 HydrophobicContact CG2-CD1 4.17Å; I170-I173 HydrophobicContact CG2-CG1 3.74Å
174R97Very high90.2Very high157 Ų15773 Ų7359%0.59243%0.43SS*.EExtended strand (participates in β ladder)trans-104.1126169-71.4-175.5-75-97.80.8108.3F106 A107 I108F106-R174 PolarHBondContact O-N 3.5Å; A107-R174 CarbonylContact C-O 3.58Å; A107-R174 WeakPolarHBondContact CA-O 3.46Å; I108-R174 PolarHBondContact N-O 3.28Å
175M94.1Very high90Very high105 Ų10573.1 Ų73.152%0.51742%0.423SS..EExtended strand (participates in β ladder)trans-124122.1179.3-171.8178.8-64.400110.5I108 P143I108-M175 HydrophobicContact CB-CG 4.36Å; I108-M175 HydrophobicContact CD1-CE 4.34Å; I108-M175 HydrophobicContact CG2-CE 4.49Å; I108-M175 HydrophobicContact CG2-CG 4.47Å; I108-M175 CarbonylContact O-C 3.55Å; I108-M175 WeakPolarHBondContact O-CA 3.46Å; P143-M175 HydrophobicContact CB-CE 3.4Å; P143-M175 HydrophobicContact CG-CE 3.68Å; P143-M175 HydrophobicContact CG-SD 4.23Å
176G93.8Very high89.8Confident37 Ų3776.7 Ų76.738%0.38144%0.438SS..EExtended strand (participates in β ladder)trans-99.2149161.500000109.6I108 D109 R110I108-G176 PolarHBondContact O-N 2.91Å; D109-G176 WeakPolarHBondContact CA-O 3.27Å; R110-G176 PolarHBondContact N-O 3.41Å
177T90.4Very high89.8Confident70 Ų7077.2 Ų77.243%0.42943%0.433SS..EExtended strand (participates in β ladder)trans-143.5145.8171.2-174.50000111.1R110 V179R110-T177 WeakPolarHBondContact O-CA 3.3Å; R110-T177 PolarHBondContact O-OG1 3Å; T177-V179 VanDerWaalsContact OG1-CG2 3.31Å; T177-V179 WeakPolarHBondContact OG1-CG2 3.47Å; T177-V179 PolarHBondContact OG1-N 3.31Å
178T86.9Confident89.6Confident50 Ų5080.1 Ų80.131%0.30744%0.435SS..SBendtrans-97.52.8174.156.50000113R110 G111 A180 T181 N182R110-T178 PolarHBondContact O-N 2.95Å; R110-T178 PolarHBondContact O-OG1 3.1Å; G111-T178 WeakPolarHBondContact CA-OG1 3.37Å; T178-A180 PolarHBondContact O-N 2.9Å; T178-T181 PolarHBondContact O-N 3Å; T178-N182 WeakPolarHBondContact O-CB 3.45Å; T178-N182 VanDerWaalsContact O-CG 3.26Å; T178-N182 PolarHBondContact O-N 3.12Å; T178-N182 PolarHBondContact O-ND2 2.93Å
179V84.4Confident89.5Confident73 Ų7380.2 Ų80.244%0.44245%0.446SS..Hα-helixtrans-57.8-47.1-177.4170.70000111.5T177 N182 A183T177-V179 VanDerWaalsContact OG1-CG2 3.31Å; T177-V179 WeakPolarHBondContact OG1-CG2 3.47Å; T177-V179 PolarHBondContact OG1-N 3.31Å; V179-N182 PolarHBondContact O-N 3.36Å; V179-A183 VanDerWaalsContact O-CB 3.29Å; V179-A183 WeakPolarHBondContact O-CB 3.26Å; V179-A183 PolarHBondContact O-N 2.95Å
180A81.8Confident89.6Confident71 Ų7183.2 Ų83.259%0.58746%0.46SS*.Hα-helixtrans-64.1-43.8-179.200000112.3T178 A183 L184T178-A180 PolarHBondContact O-N 2.9Å; A180-A183 PolarHBondContact O-N 3.41Å; A180-L184 PolarHBondContact O-N 3.32Å
181T84.8Confident89.6Confident82 Ų8291.5 Ų91.550%0.50349%0.49SS..Hα-helixtrans-65.4-42.5178.6-50.20000111.3T178 L184 L185T178-T181 PolarHBondContact O-N 3Å; T181-L184 PolarHBondContact O-N 3.45Å; T181-L185 HydrophobicContact CG2-CD1 4.13Å; T181-L185 HydrophobicContact CG2-CG 4.47Å; T181-L185 WeakPolarHBondContact O-CB 3.42Å; T181-L185 VanDerWaalsContact O-CG 3.28Å; T181-L185 WeakPolarHBondContact O-CG 3.42Å; T181-L185 PolarHBondContact O-N 2.94Å
182N84.9Confident89.6Confident54 Ų5493.2 Ų93.229%0.28950%0.497SS..Hα-helixtrans-66.2-41.8177-67.3-25.6000111.3T178 V179 L184 L185 E186T178-N182 WeakPolarHBondContact O-CB 3.45Å; T178-N182 VanDerWaalsContact O-CG 3.26Å; T178-N182 PolarHBondContact O-N 3.12Å; T178-N182 PolarHBondContact O-ND2 2.93Å; V179-N182 PolarHBondContact O-N 3.36Å; N182-L184 VanDerWaalsContact C-N 3.28Å; N182-L184 PolarHBondContact O-N 3.41Å; N182-L185 PolarHBondContact O-N 3.34Å; N182-E186 VanDerWaalsContact O-CB 3.27Å; N182-E186 WeakPolarHBondContact O-CB 3.24Å; N182-E186 VanDerWaalsContact O-CG 3.3Å; N182-E186 WeakPolarHBondContact O-CG 3.27Å; N182-E186 PolarHBondContact O-N 3.25Å
183A85.3Confident89.6Confident32 Ų3294.3 Ų94.326%0.26451%0.507SS..Hα-helixtrans-57.8-42.4174.600000111.6V179 A180 R187 K188V179-A183 VanDerWaalsContact O-CB 3.29Å; V179-A183 WeakPolarHBondContact O-CB 3.26Å; V179-A183 PolarHBondContact O-N 2.95Å; A180-A183 PolarHBondContact O-N 3.41Å; A183-R187 PolarHBondContact O-N 3.15Å; A183-R187 VanDerWaalsContact O-N 3.07Å; A183-K188 PolarHBondContact O-N 3.19Å
184L86.9Confident89.5Confident99 Ų9992 Ų9252%0.51850%0.496SS..Hα-helixtrans-64.6-47.3175.6-179.463.8000112.3A180 T181 N182 R187 L225A180-L184 PolarHBondContact O-N 3.32Å; T181-L184 PolarHBondContact O-N 3.45Å; N182-L184 VanDerWaalsContact C-N 3.28Å; N182-L184 PolarHBondContact O-N 3.41Å; L184-R187 PolarHBondContact O-N 2.73Å; L184-L225 HydrophobicContact CD1-CD1 3.81Å; L184-L225 HydrophobicContact CD1-CD2 3.82Å; L184-L225 HydrophobicContact CD1-CG 4.48Å
185L87.6Confident89.5Confident132 Ų13289.9 Ų89.969%0.69150%0.496SS*.Hα-helixtrans-66.3-36.5-179.6-70.1173.6000112.5T181 N182 R187T181-L185 HydrophobicContact CG2-CD1 4.13Å; T181-L185 HydrophobicContact CG2-CG 4.47Å; T181-L185 WeakPolarHBondContact O-CB 3.42Å; T181-L185 VanDerWaalsContact O-CG 3.28Å; T181-L185 WeakPolarHBondContact O-CG 3.42Å; T181-L185 PolarHBondContact O-N 2.94Å; N182-L185 PolarHBondContact O-N 3.34Å; L185-R187 VanDerWaalsContact C-N 3.28Å
186E87.2Confident89.6Confident111 Ų11185.9 Ų85.952%0.51948%0.477SS..THydrogen-bonded Turntrans-861.4178.4-64.3-178.7175.100112.9N182 K188N182-E186 VanDerWaalsContact O-CB 3.27Å; N182-E186 WeakPolarHBondContact O-CB 3.24Å; N182-E186 VanDerWaalsContact O-CG 3.3Å; N182-E186 WeakPolarHBondContact O-CG 3.27Å; N182-E186 PolarHBondContact O-N 3.25Å; E186-K188 HydrophobicContact CB-CD 4.06Å; E186-K188 HydrophobicContact CB-CG 4.01Å; E186-K188 PolarHBondContact O-N 3.43Å; E186-K188 WeakPolarHBondContact OE2-CD 3.3Å; E186-K188 VanDerWaalsContact OE2-CE 3.22Å; E186-K188 WeakPolarHBondContact OE2-CE 3.5Å; E186-K188 IonicContact OE2-NZ 3.04Å; E186-K188 PolarHBondContact OE2-NZ 3.08Å
187R88.3Confident89.8Confident117 Ų11785.9 Ų85.944%0.44247%0.47SS..THydrogen-bonded Turntrans53.532.5-175.6-62.1-71.8-174.1147.6-2113.1A183 L184 L185 G189 E223 V224 L225A183-R187 PolarHBondContact O-N 3.15Å; A183-R187 VanDerWaalsContact O-N 3.07Å; L184-R187 PolarHBondContact O-N 2.73Å; L185-R187 VanDerWaalsContact C-N 3.28Å; R187-G189 PolarHBondContact O-N 2.99Å; R187-E223 PolarHBondContact NH1-O 3.38Å; R187-E223 PolarHBondContact NH2-O 3.32Å; R187-V224 PolarHBondContact NH1-O 3.44Å; R187-L225 VanDerWaalsContact NH1-CD2 3.26Å
188K87Confident90Very high143 Ų14388.2 Ų88.262%0.62247%0.471SS*.  trans-95.771.1177-68.7179.6-176.9164.70110.1A183 E186A183-K188 PolarHBondContact O-N 3.19Å; E186-K188 HydrophobicContact CB-CD 4.06Å; E186-K188 HydrophobicContact CB-CG 4.01Å; E186-K188 PolarHBondContact O-N 3.43Å; E186-K188 WeakPolarHBondContact OE2-CD 3.3Å; E186-K188 VanDerWaalsContact OE2-CE 3.22Å; E186-K188 WeakPolarHBondContact OE2-CE 3.5Å; E186-K188 IonicContact OE2-NZ 3.04Å; E186-K188 PolarHBondContact OE2-NZ 3.08Å
189G87.5Confident90.5Very high67 Ų6788.8 Ų88.869%0.69149%0.487SS*.  trans-120.5174.7174.500000111.7R187R187-G189 PolarHBondContact O-N 2.99Å
190E92.5Very high91Very high174 Ų17489.6 Ų89.681%0.81348%0.484SS*.  trans-78.4161.6168.6-69.1-60.4147.800111V192E190-V192 PolarHBondContact O-N 3.35Å
191R93.4Very high91.6Very high196 Ų19692.5 Ų92.574%0.7448%0.48SS*.  trans-66.1126.9175.6-56.5179.160.1-143.9-6.2109.5E227R191-E227 VanDerWaalsContact CG-OE1 3.3Å; R191-E227 WeakPolarHBondContact CG-OE1 3.22Å; R191-E227 IonicContact CZ-OE2 2.95Å; R191-E227 IonicContact NE-OE1 2.76Å; R191-E227 PolarHBondContact NE-OE1 3.4Å; R191-E227 IonicContact NE-OE2 3.3Å; R191-E227 PolarHBondContact NE-OE2 3.37Å; R191-E227 IonicContact NH2-OE2 3.5Å; R191-E227 PolarHBondContact NH2-OE2 3.01Å
192V94.4Very high92.1Very high73 Ų7392.3 Ų92.344%0.44248%0.476SS..  trans-125142.2-177.9-61.60000112.3E190 L225 Y226 E227E190-V192 PolarHBondContact O-N 3.35Å; V192-L225 VanDerWaalsContact CG2-O 3.26Å; V192-L225 WeakPolarHBondContact CG2-O 3.47Å; V192-Y226 WeakPolarHBondContact O-CA 3.33Å; V192-E227 PolarHBondContact O-N 2.87Å
193A96Very high92.5Very high52 Ų5294.2 Ų94.243%0.4349%0.486SS..EExtended strand (participates in β ladder)trans-107.6140.3170.600000110.1E228A193-E228 CarbonylContact C-O 3.59Å; A193-E228 WeakPolarHBondContact CA-O 3.44Å; A193-E228 HydrophobicContact CB-CB 4.17Å
194L96.4Very high92.8Very high36 Ų3697.5 Ų97.519%0.18850%0.498CS..EExtended strand (participates in β ladder)trans-94.2117.1175175.665.4000109.5V196 L204 Y226 E228 V229 L230L194-V196 HydrophobicContact CG-CB 4.33Å; L194-L204 HydrophobicContact CD1-CD1 3.89Å; L194-L204 HydrophobicContact CD2-CB 4.44Å; L194-L204 HydrophobicContact CD2-CD1 3.79Å; L194-L204 HydrophobicContact CD2-CG 4.15Å; L194-L204 HydrophobicContact CG-CD1 4.49Å; L194-Y226 HydrophobicContact CB-CD1 4.12Å; L194-Y226 HydrophobicContact CB-CD2 4.33Å; L194-Y226 HydrophobicContact CB-CG 3.92Å; L194-Y226 HydrophobicContact CD2-CD1 4.09Å; L194-Y226 HydrophobicContact CD2-CE1 3.87Å; L194-E228 PolarHBondContact N-O 3.32Å; L194-V229 HydrophobicContact CB-CG1 4.44Å; L194-V229 HydrophobicContact CB-CG2 4.3Å; L194-V229 HydrophobicContact CD2-CG1 4.19Å; L194-V229 HydrophobicContact CD2-CG2 4.27Å; L194-V229 HydrophobicContact CG-CG1 4.37Å; L194-V229 CarbonylContact O-C 3.54Å; L194-V229 VanDerWaalsContact O-CA 3.3Å; L194-V229 WeakPolarHBondContact O-CA 3.37Å; L194-L230 PolarHBondContact O-N 3.5Å
195L96.8Very high92.9Very high114 Ų11496.9 Ų96.960%0.59749%0.493SS*.EExtended strand (participates in β ladder)trans-92.3124.7166.8-79.668000108.2L230L195-L230 WeakPolarHBondContact CA-O 3.45Å; L195-L230 HydrophobicContact CD1-CB 4.37Å; L195-L230 HydrophobicContact CD1-CD1 4.02Å; L195-L230 HydrophobicContact CG-CB 4.16Å; L195-L230 HydrophobicContact CG-CD1 4.44Å
196V96.2Very high93Very high21 Ų2195 Ų9513%0.12748%0.482CS..EExtended strand (participates in β ladder)trans-140.4155.5-176.872.60000110.6L194 F200 V229 L230 E231 V232L194-V196 HydrophobicContact CG-CB 4.33Å; V196-F200 HydrophobicContact CG2-CB 3.75Å; V196-V229 HydrophobicContact CG1-CG1 3.63Å; V196-L230 PolarHBondContact N-O 3Å; V196-E231 HydrophobicContact CG1-CG 4.24Å; V196-E231 CarbonylContact O-C 3.53Å; V196-E231 VanDerWaalsContact O-CA 3.25Å; V196-E231 WeakPolarHBondContact O-CA 3.4Å; V196-V232 PolarHBondContact O-N 3.1Å
197T96.2Very high93.1Very high37 Ų3791.9 Ų91.923%0.22748%0.48CS..EExtended strand (participates in β ladder)trans-59.2134.6176.4-45.60000111.7G199 F200 E234T197-G199 PolarHBondContact O-N 2.92Å; T197-F200 HydrophobicContact CG2-CD2 4.05Å; T197-F200 HydrophobicContact CG2-CE2 4.25Å; T197-F200 VanDerWaalsContact O-CB 3.31Å; T197-F200 WeakPolarHBondContact O-CB 3.32Å; T197-F200 PolarHBondContact O-N 2.94Å; T197-E234 WeakPolarHBondContact CA-OE1 3.42Å; T197-E234 WeakPolarHBondContact CA-OE2 3.33Å; T197-E234 WeakPolarHBondContact CB-OE1 3.45Å; T197-E234 HydrophobicContact CG2-CG 4.47Å; T197-E234 WeakPolarHBondContact CG2-O 3.47Å; T197-E234 WeakPolarHBondContact CG2-OE1 3.44Å; T197-E234 PolarHBondContact N-OE1 3.05Å; T197-E234 PolarHBondContact OG1-OE1 3.07Å
198R96.1Very high93.1Very high118 Ų11892.5 Ų92.545%0.44550%0.497SS..THydrogen-bonded Turntrans-54.3132.8-179.4176.4176.6-73.9161.97.4111.4E231 V232 D233 R235R198-E231 HydrophobicContact CB-CB 4.21Å; R198-V232 WeakPolarHBondContact CA-O 3.48Å; R198-V232 WeakPolarHBondContact CB-O 3.43Å; R198-V232 PolarHBondContact N-O 3.02Å; R198-D233 VanDerWaalsContact CD-OD1 3.27Å; R198-D233 WeakPolarHBondContact CD-OD1 3.45Å; R198-D233 IonicContact CZ-OD1 3.21Å; R198-D233 IonicContact CZ-OD2 3.89Å; R198-D233 IonicContact NE-OD1 3.67Å; R198-D233 PolarHBondContact NE-OD1 2.96Å; R198-D233 IonicContact NE-OD2 2.62Å; R198-D233 IonicContact NH1-OD1 2.72Å; R198-D233 PolarHBondContact NH1-OD1 2.99Å; R198-D233 IonicContact NH1-OD2 3.53Å; R198-D233 PolarHBondContact NH1-OD2 2.79Å; R198-D233 IonicContact NH2-OD1 3.55Å; R198-D233 IonicContact NH2-OD2 2.89Å; R198-D233 PolarHBondContact NH2-OD2 2.92Å; R198-R235 VanDerWaalsContact O-CZ 3.22Å; R198-R235 PolarHBondContact O-NH1 3.08Å; R198-R235 PolarHBondContact O-NH2 3.48Å
199G95.9Very high93Very high62 Ų6291.4 Ų91.464%0.63949%0.494SS*.THydrogen-bonded Turntrans91.10.6-172.900000114T197 E231T197-G199 PolarHBondContact O-N 2.92Å; G199-E231 WeakPolarHBondContact CA-OE1 3.2Å; G199-E231 PolarHBondContact N-OE1 3.42Å
200F95.8Very high92.9Very high90 Ų9092.1 Ų92.140%0.39549%0.493SS..  trans-121.717.8178.8-64.5-85.5000113.2V196 T197 D202 L203 E231V196-F200 HydrophobicContact CG2-CB 3.75Å; T197-F200 HydrophobicContact CG2-CD2 4.05Å; T197-F200 HydrophobicContact CG2-CE2 4.25Å; T197-F200 VanDerWaalsContact O-CB 3.31Å; T197-F200 WeakPolarHBondContact O-CB 3.32Å; T197-F200 PolarHBondContact O-N 2.94Å; F200-D202 PolarHBondContact O-N 2.9Å; F200-D202 VanDerWaalsContact O-N 3.08Å; F200-L203 HydrophobicContact CB-CB 4.28Å; F200-L203 HydrophobicContact CD1-CD1 4.41Å; F200-L203 HydrophobicContact CD1-CD2 4.41Å; F200-L203 VanDerWaalsContact O-CB 3.22Å; F200-L203 WeakPolarHBondContact O-CB 3.5Å; F200-L203 PolarHBondContact O-N 2.68Å; F200-E231 PolarHBondContact N-OE1 3.28Å
201R95.4Very high92.4Very high132 Ų13289.9 Ų89.950%0.49848%0.478SS..THydrogen-bonded Turntrans-41.5-46.3177-171.3173.7-176.3-93.62.6114.5V229 E231R201-V229 HydrophobicContact CB-CG1 4.43Å; R201-V229 HydrophobicContact CG-CB 4.06Å; R201-V229 HydrophobicContact CG-CG1 3.81Å; R201-E231 HydrophobicContact CB-CG 4.11Å; R201-E231 WeakPolarHBondContact CB-OE1 3.31Å; R201-E231 PolarHBondContact N-OE1 3.08Å
202D93.8Very high91.9Very high79 Ų7985 Ų8542%0.42249%0.488SS..THydrogen-bonded Turntrans-95.98.9-171.7-55.1-39.1000113.1F200 L204 H205 I206F200-D202 PolarHBondContact O-N 2.9Å; F200-D202 VanDerWaalsContact O-N 3.08Å; D202-L204 PolarHBondContact O-N 3.34Å; D202-H205 WeakPolarHBondContact O-CB 3.36Å; D202-H205 PolarHBondContact O-N 3.02Å; D202-H205 VanDerWaalsContact O-N 3.09Å; D202-I206 HydrophobicContact CB-CD1 4.14Å; D202-I206 HydrophobicContact CB-CG1 4.41Å; D202-I206 WeakPolarHBondContact O-CG1 3.43Å; D202-I206 PolarHBondContact O-N 3.26Å
203L93.1Very high91.5Very high93 Ų9386.2 Ų86.249%0.48749%0.492SS..Hα-helixtrans-55.8-48.5-173.2-177.466.6000112.9F200 G207F200-L203 HydrophobicContact CB-CB 4.28Å; F200-L203 HydrophobicContact CD1-CD1 4.41Å; F200-L203 HydrophobicContact CD1-CD2 4.41Å; F200-L203 VanDerWaalsContact O-CB 3.22Å; F200-L203 WeakPolarHBondContact O-CB 3.5Å; F200-L203 PolarHBondContact O-N 2.68Å; L203-G207 PolarHBondContact O-N 2.97Å
204L91.7Very high91Very high101 Ų10189.6 Ų89.653%0.52950%0.502SS..Hα-helixtrans-76.6-23.1179.6-65.2-171.3000113.2L194 D202 Y226L194-L204 HydrophobicContact CD1-CD1 3.89Å; L194-L204 HydrophobicContact CD2-CB 4.44Å; L194-L204 HydrophobicContact CD2-CD1 3.79Å; L194-L204 HydrophobicContact CD2-CG 4.15Å; L194-L204 HydrophobicContact CG-CD1 4.49Å; D202-L204 PolarHBondContact O-N 3.34Å; L204-Y226 HydrophobicContact CB-CE1 3.84Å; L204-Y226 HydrophobicContact CD1-CE1 4.19Å
205H89.9Confident90.7Very high87 Ų8796.2 Ų96.240%0.40353%0.53SS..Hα-helixtrans-72-42.3173.6-177.869.6000111.2D202 M221 V224 Y226D202-H205 WeakPolarHBondContact O-CB 3.36Å; D202-H205 PolarHBondContact O-N 3.02Å; D202-H205 VanDerWaalsContact O-N 3.09Å; H205-M221 PolarHBondContact CE1-SD 2.98Å; H205-M221 PolarHBondContact NE2-SD 3.18Å; H205-V224 HydrophobicContact CB-CG1 4.48Å; H205-Y226 PolarHBondContact N-OH 2.98Å
206I90.4Very high90.3Very high92 Ų9294.1 Ų94.147%0.47252%0.52SS..Hα-helixtrans-67-40.7173.3-64.1163.8000110D202 Q209D202-I206 HydrophobicContact CB-CD1 4.14Å; D202-I206 HydrophobicContact CB-CG1 4.41Å; D202-I206 WeakPolarHBondContact O-CG1 3.43Å; D202-I206 PolarHBondContact O-N 3.26Å; I206-Q209 HydrophobicContact CG2-CG 4.11Å; I206-Q209 PolarHBondContact O-NE2 3.37Å
207G89.2Confident89.8Confident45 Ų45101.2 Ų101.246%0.46456%0.556SS.*THydrogen-bonded Turntrans61.6-154.8-17900000112.7L203 Q209L203-G207 PolarHBondContact O-N 2.97Å; G207-Q209 VanDerWaalsContact C-N 3.34Å
208T87.3Confident89.3Confident130 Ų130103.2 Ų103.280%0.79858%0.576SS**THydrogen-bonded Turntrans-85.9-4.9-17558.30000114.1A210T208-A210 PolarHBondContact O-N 3.41Å; T208-A210 WeakPolarHBondContact OG1-CB 3.45Å
209Q85.7Confident88.7Confident120 Ų120101.1 Ų101.156%0.56158%0.576SS**  trans54.414.9-172.4-61.2-70.2-64.800114I206 G207 R211I206-Q209 HydrophobicContact CG2-CG 4.11Å; I206-Q209 PolarHBondContact O-NE2 3.37Å; G207-Q209 VanDerWaalsContact C-N 3.34Å; Q209-R211 PolarHBondContact O-N 2.9Å
210A84.5Confident88Confident83 Ų83103.3 Ų103.369%0.68658%0.579SS**  trans-67.6127.5176.500000109.6T208T208-A210 PolarHBondContact O-N 3.41Å; T208-A210 WeakPolarHBondContact OG1-CB 3.45Å
211R82.3Confident87.2Confident127 Ų127104.2 Ų104.248%0.47959%0.586SS.*  trans-110.9130.8-179.8-62.5-171.7-179.6-161.4-1.1110.2Q209Q209-R211 PolarHBondContact O-N 2.9Å
212G82.7Confident86.6Confident94 Ų94103.1 Ų103.197%0.96960%0.596SS**SBendtrans-68.2-44.4173.400000111.7
213D86.4Confident86.3Confident98 Ų98106.6 Ų106.652%0.52461%0.61SS.*SBendtrans-113117.6168.3-166-32.3000109.2F215 D216D213-F215 VanDerWaalsContact C-N 3.28Å; D213-F215 PolarHBondContact O-N 2.96Å; D213-F215 PolarHBondContact OD1-N 3.45Å; D213-F215 VanDerWaalsContact OD1-N 3.12Å; D213-D216 HydrophobicContact CB-CB 4.13Å
214L86.1Confident86.1Confident122 Ų122104.7 Ų104.764%0.63960%0.602SS**SBendtrans-69.3-27.2-173-172.761.9000112.6
215F89.6Confident86.1Confident175 Ų175104.9 Ų104.977%0.76860%0.603SS**SBendtrans-103.5-4.2-172.4-59.4-66.4000113.9D213 L217D213-F215 VanDerWaalsContact C-N 3.28Å; D213-F215 PolarHBondContact O-N 2.96Å; D213-F215 PolarHBondContact OD1-N 3.45Å; D213-F215 VanDerWaalsContact OD1-N 3.12Å; F215-L217 PolarHBondContact O-N 2.94Å
216D88.6Confident86.3Confident71 Ų71102.6 Ų102.638%0.3859%0.591SS.*  trans-65.7122.1171.5-170.63.8000110D213 A218 V219D213-D216 HydrophobicContact CB-CB 4.13Å; D216-A218 PolarHBondContact OD1-N 3.03Å; D216-V219 HydrophobicContact CB-CG2 4.13Å; D216-V219 WeakPolarHBondContact O-CG2 3.42Å
217L86.1Confident86.5Confident170 Ų170104 Ų10489%0.8960%0.595SS**SBendtrans-85.6-20.1178.3-63178.1000111.7F215F215-L217 PolarHBondContact O-N 2.94Å
218A85.6Confident86.8Confident79 Ų79107.3 Ų107.365%0.65360%0.599SS**  trans-108.155.9-175.500000111.2D216 P220D216-A218 PolarHBondContact OD1-N 3.03Å; A218-P220 VanDerWaalsContact O-CD 3.29Å; A218-P220 WeakPolarHBondContact O-CD 3.31Å
219V81.8Confident87.3Confident74 Ų74102.3 Ų102.345%0.44857%0.568SS.*PPolyproline II helixtrans-79.9116.2179.3-176.20000110.1D216D216-V219 HydrophobicContact CB-CG2 4.13Å; D216-V219 WeakPolarHBondContact O-CG2 3.42Å
220P81.2Confident87.8Confident108 Ų108100.2 Ų100.270%0.70156%0.56SS**PPolyproline II helixtrans-70.8133.1174.729.7-33.3000110A218A218-P220 VanDerWaalsContact O-CD 3.29Å; A218-P220 WeakPolarHBondContact O-CD 3.31Å
221M80.8Confident88.4Confident108 Ų10899.9 Ų99.953%0.53255%0.545SS..PPolyproline II helixtrans-77129.6174.6-170.1177-70.800109.7H205H205-M221 PolarHBondContact CE1-SD 2.98Å; H205-M221 PolarHBondContact NE2-SD 3.18Å
222P82.3Confident89.1Confident109 Ų10996.3 Ų96.371%0.70854%0.537SS*.PPolyproline II helixtrans-61.2141.8173.4-21.832.9000111.5
223E86.6Confident89.7Confident153 Ų15395 Ų9572%0.71551%0.508SS*.PPolyproline II helixtrans-66142.3173-65.9179.6171.400111.4R187R187-E223 PolarHBondContact NH1-O 3.38Å; R187-E223 PolarHBondContact NH2-O 3.32Å
224V90.4Very high89.8Confident53 Ų5392.9 Ų92.932%0.32149%0.494SS..PPolyproline II helixtrans-76.1161.5174.8-65.30000111.5R187 H205 Y226R187-V224 PolarHBondContact NH1-O 3.44Å; H205-V224 HydrophobicContact CB-CG1 4.48Å; V224-Y226 HydrophobicContact CB-CD1 4.09Å; V224-Y226 HydrophobicContact CB-CE1 3.68Å; V224-Y226 HydrophobicContact CB-CE2 4.23Å; V224-Y226 HydrophobicContact CG1-CE1 3.84Å; V224-Y226 HydrophobicContact CG1-CE2 4.48Å; V224-Y226 HydrophobicContact CG2-CD2 4.3Å; V224-Y226 HydrophobicContact CG2-CE1 4.35Å; V224-Y226 HydrophobicContact CG2-CE2 4.01Å
225L91.6Very high89.9Confident105 Ų10593.5 Ų93.555%0.5549%0.488SS..SBendtrans-92.1-20.4178.5-70.6166.6000113.4L184 R187 V192L184-L225 HydrophobicContact CD1-CD1 3.81Å; L184-L225 HydrophobicContact CD1-CD2 3.82Å; L184-L225 HydrophobicContact CD1-CG 4.48Å; R187-L225 VanDerWaalsContact NH1-CD2 3.26Å; V192-L225 VanDerWaalsContact CG2-O 3.26Å; V192-L225 WeakPolarHBondContact CG2-O 3.47Å
226Y93.4Very high89.7Confident38 Ų3891.4 Ų91.415%0.14949%0.49CS..  trans-94.5151-176.355.4-96000112.1V192 L194 L204 H205 V224 V229V192-Y226 WeakPolarHBondContact O-CA 3.33Å; L194-Y226 HydrophobicContact CB-CD1 4.12Å; L194-Y226 HydrophobicContact CB-CD2 4.33Å; L194-Y226 HydrophobicContact CB-CG 3.92Å; L194-Y226 HydrophobicContact CD2-CD1 4.09Å; L194-Y226 HydrophobicContact CD2-CE1 3.87Å; L204-Y226 HydrophobicContact CB-CE1 3.84Å; L204-Y226 HydrophobicContact CD1-CE1 4.19Å; H205-Y226 PolarHBondContact N-OH 2.98Å; V224-Y226 HydrophobicContact CB-CD1 4.09Å; V224-Y226 HydrophobicContact CB-CE1 3.68Å; V224-Y226 HydrophobicContact CB-CE2 4.23Å; V224-Y226 HydrophobicContact CG1-CE1 3.84Å; V224-Y226 HydrophobicContact CG1-CE2 4.48Å; V224-Y226 HydrophobicContact CG2-CD2 4.3Å; V224-Y226 HydrophobicContact CG2-CE1 4.35Å; V224-Y226 HydrophobicContact CG2-CE2 4.01Å; Y226-V229 HydrophobicContact CD2-CG2 3.54Å; Y226-V229 HydrophobicContact CE2-CG2 3.25Å
227E94.6Very high89.5Confident121 Ų12193.2 Ų93.257%0.56550%0.503SS*.SBendtrans-98.4-29.6176.3-65.8-175-17100112.7R191 V192R191-E227 VanDerWaalsContact CG-OE1 3.3Å; R191-E227 WeakPolarHBondContact CG-OE1 3.22Å; R191-E227 IonicContact CZ-OE2 2.95Å; R191-E227 IonicContact NE-OE1 2.76Å; R191-E227 PolarHBondContact NE-OE1 3.4Å; R191-E227 IonicContact NE-OE2 3.3Å; R191-E227 PolarHBondContact NE-OE2 3.37Å; R191-E227 IonicContact NH2-OE2 3.5Å; R191-E227 PolarHBondContact NH2-OE2 3.01Å; V192-E227 PolarHBondContact O-N 2.87Å
228E95.5Very high89Confident115 Ų11593 Ų9354%0.53750%0.502SS..EExtended strand (participates in β ladder)trans-133146.1-176.6-171.2173.2-17700110.3A193 L194 L230A193-E228 CarbonylContact C-O 3.59Å; A193-E228 WeakPolarHBondContact CA-O 3.44Å; A193-E228 HydrophobicContact CB-CB 4.17Å; L194-E228 PolarHBondContact N-O 3.32Å; E228-L230 HydrophobicContact CG-CD2 4.49Å; E228-L230 HydrophobicContact CG-CG 4.46Å
229V97.1Very high88.3Confident26 Ų2694.5 Ų94.516%0.15850%0.495CS..EExtended strand (participates in β ladder)trans-122.2122.9173.1-172.40000108.9L194 V196 R201 Y226L194-V229 HydrophobicContact CB-CG1 4.44Å; L194-V229 HydrophobicContact CB-CG2 4.3Å; L194-V229 HydrophobicContact CD2-CG1 4.19Å; L194-V229 HydrophobicContact CD2-CG2 4.27Å; L194-V229 HydrophobicContact CG-CG1 4.37Å; L194-V229 CarbonylContact O-C 3.54Å; L194-V229 VanDerWaalsContact O-CA 3.3Å; L194-V229 WeakPolarHBondContact O-CA 3.37Å; V196-V229 HydrophobicContact CG1-CG1 3.63Å; R201-V229 HydrophobicContact CB-CG1 4.43Å; R201-V229 HydrophobicContact CG-CB 4.06Å; R201-V229 HydrophobicContact CG-CG1 3.81Å; Y226-V229 HydrophobicContact CD2-CG2 3.54Å; Y226-V229 HydrophobicContact CE2-CG2 3.25Å
230L97.4Very high87.5Confident76 Ų76103 Ų10340%0.39852%0.519SS..EExtended strand (participates in β ladder)trans-109.9121.9177.5-65.6170.7000108.9L194 L195 V196 E228L194-L230 PolarHBondContact O-N 3.5Å; L195-L230 WeakPolarHBondContact CA-O 3.45Å; L195-L230 HydrophobicContact CD1-CB 4.37Å; L195-L230 HydrophobicContact CD1-CD1 4.02Å; L195-L230 HydrophobicContact CG-CB 4.16Å; L195-L230 HydrophobicContact CG-CD1 4.44Å; V196-L230 PolarHBondContact N-O 3Å; E228-L230 HydrophobicContact CG-CD2 4.49Å; E228-L230 HydrophobicContact CG-CG 4.46Å
231E96.8Very high86.7Confident76 Ų7699.7 Ų99.736%0.35551%0.505SS..EExtended strand (participates in β ladder)trans-91.1127.3177.8-72.2-165.5122.400111.4V196 R198 G199 F200 R201V196-E231 HydrophobicContact CG1-CG 4.24Å; V196-E231 CarbonylContact O-C 3.53Å; V196-E231 VanDerWaalsContact O-CA 3.25Å; V196-E231 WeakPolarHBondContact O-CA 3.4Å; R198-E231 HydrophobicContact CB-CB 4.21Å; G199-E231 WeakPolarHBondContact CA-OE1 3.2Å; G199-E231 PolarHBondContact N-OE1 3.42Å; F200-E231 PolarHBondContact N-OE1 3.28Å; R201-E231 HydrophobicContact CB-CG 4.11Å; R201-E231 WeakPolarHBondContact CB-OE1 3.31Å; R201-E231 PolarHBondContact N-OE1 3.08Å
232V96.7Very high85.8Confident52 Ų52102 Ų10232%0.31551%0.514SS..EExtended strand (participates in β ladder)trans-101.4143.9179.1-177.10000109.7V196 R198 E234V196-V232 PolarHBondContact O-N 3.1Å; R198-V232 WeakPolarHBondContact CA-O 3.48Å; R198-V232 WeakPolarHBondContact CB-O 3.43Å; R198-V232 PolarHBondContact N-O 3.02Å; V232-E234 VanDerWaalsContact CB-OE2 3.24Å; V232-E234 WeakPolarHBondContact CB-OE2 3.49Å; V232-E234 HydrophobicContact CG1-CB 4.29Å; V232-E234 HydrophobicContact CG1-CG 4.49Å; V232-E234 WeakPolarHBondContact CG1-OE2 3.33Å; V232-E234 PolarHBondContact O-N 3.43Å
233D95.1Very high84.7Confident66 Ų66102.1 Ų102.135%0.35353%0.525SS..  trans-84.177.1173.8-87.6-42.9000111R198 R252 T253R198-D233 VanDerWaalsContact CD-OD1 3.27Å; R198-D233 WeakPolarHBondContact CD-OD1 3.45Å; R198-D233 IonicContact CZ-OD1 3.21Å; R198-D233 IonicContact CZ-OD2 3.89Å; R198-D233 IonicContact NE-OD1 3.67Å; R198-D233 PolarHBondContact NE-OD1 2.96Å; R198-D233 IonicContact NE-OD2 2.62Å; R198-D233 IonicContact NH1-OD1 2.72Å; R198-D233 PolarHBondContact NH1-OD1 2.99Å; R198-D233 IonicContact NH1-OD2 3.53Å; R198-D233 PolarHBondContact NH1-OD2 2.79Å; R198-D233 IonicContact NH2-OD1 3.55Å; R198-D233 IonicContact NH2-OD2 2.89Å; R198-D233 PolarHBondContact NH2-OD2 2.92Å; D233-R252 VanDerWaalsContact O-O 3.1Å; D233-T253 WeakPolarHBondContact CB-OXT 3.4Å; D233-T253 WeakPolarHBondContact O-CA 3.29Å
234E88.9Confident83.5Confident53 Ų5399 Ų9925%0.24853%0.533CS..  trans-141.5160.5177.791-61.8177.100112.3T197 V232T197-E234 WeakPolarHBondContact CA-OE1 3.42Å; T197-E234 WeakPolarHBondContact CA-OE2 3.33Å; T197-E234 WeakPolarHBondContact CB-OE1 3.45Å; T197-E234 HydrophobicContact CG2-CG 4.47Å; T197-E234 WeakPolarHBondContact CG2-O 3.47Å; T197-E234 WeakPolarHBondContact CG2-OE1 3.44Å; T197-E234 PolarHBondContact N-OE1 3.05Å; T197-E234 PolarHBondContact OG1-OE1 3.07Å; V232-E234 VanDerWaalsContact CB-OE2 3.24Å; V232-E234 WeakPolarHBondContact CB-OE2 3.49Å; V232-E234 HydrophobicContact CG1-CB 4.29Å; V232-E234 HydrophobicContact CG1-CG 4.49Å; V232-E234 WeakPolarHBondContact CG1-OE2 3.33Å; V232-E234 PolarHBondContact O-N 3.43Å
235R89.1Confident82.2Confident135 Ų135100.8 Ų100.851%0.50954%0.544SS..  trans-147.7135.5167.8-74.2-58.2-172.6-89.511.3110.4R198R198-R235 VanDerWaalsContact O-CZ 3.22Å; R198-R235 PolarHBondContact O-NH1 3.08Å; R198-R235 PolarHBondContact O-NH2 3.48Å
236V85.4Confident80.4Confident132 Ų13297.3 Ų97.380%0.853%0.533SS*.  trans-115.6133.6174.3-176.90000108.9
237V83Confident78.5Confident109 Ų109101.2 Ų101.266%0.66156%0.562SS**  trans-115.5130.1174.5-176.60000107.9H239V237-H239 PolarHBondContact O-N 2.88Å
238L75.4Confident76.8Confident164 Ų164101.1 Ų101.186%0.85957%0.572SS**  trans-63.5118.7174.4-69.1173.5000109.4R240L238-R240 PolarHBondContact O-N 2.97Å
239H72.2Confident75Confident111 Ų111100.4 Ų100.451%0.51458%0.575SS.*  trans-84.3113175.3-172.671.1000109.8V237 G241 G246V237-H239 PolarHBondContact O-N 2.88Å; H239-G241 PolarHBondContact CD2-N 3.33Å; H239-G241 PolarHBondContact O-N 3.09Å; H239-G246 WeakPolarHBondContact NE2-CA 3.49Å
240R63.9Low72.7Confident253 Ų253108.5 Ų108.596%0.95561%0.608SS**  trans-89.378.8169.4-73.7-175.1178.8179.90.1109.3L238L238-R240 PolarHBondContact O-N 2.97Å
241G64.3Low70.4Confident39 Ų39107.2 Ų107.240%0.40261%0.613SS.*SBendtrans-134160.9170.700000110.2H239H239-G241 PolarHBondContact CD2-N 3.33Å; H239-G241 PolarHBondContact O-N 3.09Å
242E62.3Low68.1Low156 Ų156114.3 Ų114.373%0.72964%0.637SS**  trans-59.3142.9172.6-68.6-177.4165.300109.9G244 T245E242-G244 PolarHBondContact O-N 3.19Å; E242-T245 HydrophobicContact CB-CG2 4.19Å; E242-T245 PolarHBondContact N-OG1 2.73Å; E242-T245 VanDerWaalsContact N-OG1 3.16Å; E242-T245 PolarHBondContact O-N 3.47Å; E242-T245 PolarHBondContact O-OG1 2.97Å
243A58.6Low65.8Low112 Ų112119.5 Ų119.593%0.92667%0.669SS**THydrogen-bonded Turntrans-51.9115.3179.300000110.4
244G61.7Low64.4Low86 Ų86122.2 Ų122.289%0.88768%0.684SS**THydrogen-bonded Turntrans99.6-1-178.500000116.5E242E242-G244 PolarHBondContact O-N 3.19Å
245T62.8Low63.1Low92 Ų92125.8 Ų125.856%0.56471%0.707SS**  trans-106.6-4.5-179.359.70000114.9E242E242-T245 HydrophobicContact CB-CG2 4.19Å; E242-T245 PolarHBondContact N-OG1 2.73Å; E242-T245 VanDerWaalsContact N-OG1 3.16Å; E242-T245 PolarHBondContact O-N 3.47Å; E242-T245 PolarHBondContact O-OG1 2.97Å
246G54.3Low61.6Low31 Ų31125.3 Ų125.332%0.3272%0.718SS.*SBendtrans-85.4129.4179.100000113.5H239H239-G246 WeakPolarHBondContact NE2-CA 3.49Å
247T54.5Low60.2Low121 Ų121124.9 Ų124.974%0.74271%0.713SS**PPolyproline II helixtrans-58.9128.2161.922.50000109.3V249T247-V249 PolarHBondContact O-N 3.41Å; T247-V249 VanDerWaalsContact O-N 3.15Å
248P57.8Low58.8Low119 Ų119125.9 Ų125.977%0.77372%0.717SS**PPolyproline II helixtrans-55.3123.1175.5-1725.2000109.5K250P248-K250 PolarHBondContact O-N 2.91Å
249V57.2Low57.7Low99 Ų99123.3 Ų123.360%0.671%0.707SS**  trans-72100.7168.7-174.60000105.9T247 G251T247-V249 PolarHBondContact O-N 3.41Å; T247-V249 VanDerWaalsContact O-N 3.15Å; V249-G251 VanDerWaalsContact C-N 3.34Å; V249-G251 PolarHBondContact O-N 3.39Å
250K49.3Very low56.7Low196 Ų196124.2 Ų124.285%0.85272%0.721SS**  trans-65.5100.1171.1-154.1-179.3-171.3-176.40106.2P248 R252P248-K250 PolarHBondContact O-N 2.91Å; K250-R252 PolarHBondContact O-N 3.26Å; K250-R252 VanDerWaalsContact O-N 3.13Å
251G49.4Very low56.1Low50 Ų50114.3 Ų114.352%0.51570%0.703SS.*  trans-51.6122.3173.800000108.3V249 T253V249-G251 VanDerWaalsContact C-N 3.34Å; V249-G251 PolarHBondContact O-N 3.39Å; G251-T253 PolarHBondContact O-N 3.12Å
252R48.4Very low55.4Low225 Ų225120.6 Ų120.685%0.84973%0.728SS**  trans-76.5118.2161.6-81.8-174.3-173.8166.22.3105.7D233 K250D233-R252 VanDerWaalsContact O-O 3.1Å; K250-R252 PolarHBondContact O-N 3.26Å; K250-R252 VanDerWaalsContact O-N 3.13Å
253T49Very low54.8Low160 Ų160117.4 Ų117.498%0.98273%0.728SS**  trans-750153.810.40000109D233 G251D233-T253 WeakPolarHBondContact CB-OXT 3.4Å; D233-T253 WeakPolarHBondContact O-CA 3.29Å; G251-T253 PolarHBondContact O-N 3.12Å

Retrieved 253 of 253 residues in 96 ms (Link to these results)