A0A087YEH2_POEFO Loading...

C-type lectin domain-containing protein

AlphaFold DB , UniProt , Accession A0A087YEH2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 232 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
1M62.5Low80.6Confident209 Ų209116.9 Ų116.9100%1.0364%0.638SS**  0-52.60-77-91.6-90.600110.6S3 L4 N5M1-S3 PolarHBondContact O-N 3.01Å; M1-L4 PolarHBondContact O-N 2.83Å; M1-N5 PolarHBondContact O-N 3.5Å
2E71.1Confident81.4Confident177 Ų177117.8 Ų117.883%0.82763%0.626SS**Hα-helixtrans-62.8-41.3179.9-70.8174.4158.900114.9L4 N5 A6E2-L4 VanDerWaalsContact C-N 3.33Å; E2-L4 PolarHBondContact O-N 3.28Å; E2-N5 PolarHBondContact O-N 3.26Å; E2-A6 PolarHBondContact O-N 3.21Å; E2-A6 VanDerWaalsContact O-N 3.08Å
3S72.5Confident82.4Confident88 Ų88114.3 Ų114.362%0.61560%0.604SS**Hα-helixtrans-69.3-28.7-179.580.80000114M1 S7M1-S3 PolarHBondContact O-N 3.01Å; S3-S7 WeakPolarHBondContact O-CB 3.43Å; S3-S7 PolarHBondContact O-N 3.41Å; S3-S7 VanDerWaalsContact O-N 3.08Å; S3-S7 PolarHBondContact O-OG 3.45Å
4L74.6Confident83Confident134 Ų134110.1 Ų110.170%0.70259%0.589SS**Hα-helixtrans-70.2-38.8174.6-111.5113000110.8M1 E2 S7 L8M1-L4 PolarHBondContact O-N 2.83Å; E2-L4 VanDerWaalsContact C-N 3.33Å; E2-L4 PolarHBondContact O-N 3.28Å; L4-S7 PolarHBondContact O-N 3.42Å; L4-L8 WeakPolarHBondContact O-CB 3.44Å; L4-L8 PolarHBondContact O-N 3.05Å
5N79.6Confident83.5Confident112 Ų112109.3 Ų109.360%0.59958%0.583SS**Hα-helixtrans-68.4-41.2178.2-16228.9000111.7M1 E2 L8 Q9M1-N5 PolarHBondContact O-N 3.5Å; E2-N5 PolarHBondContact O-N 3.26Å; N5-L8 PolarHBondContact O-N 3.15Å; N5-Q9 PolarHBondContact O-N 3.4Å
6A84.9Confident84Confident59 Ų59108 Ų10849%0.48857%0.571SS.*Hα-helixtrans-62.2-41.8173.100000112.2E2 L8 Q9 Q10E2-A6 PolarHBondContact O-N 3.21Å; E2-A6 VanDerWaalsContact O-N 3.08Å; A6-L8 PolarHBondContact O-N 3.29Å; A6-Q9 PolarHBondContact O-N 3.21Å; A6-Q10 WeakPolarHBondContact O-CB 3.47Å; A6-Q10 PolarHBondContact O-N 3.5Å
7S84.9Confident84.6Confident72 Ų72107.4 Ų107.450%0.50357%0.568SS.*Hα-helixtrans-65.8-37176.7-64.30000112.9S3 L4 Q10 S11S3-S7 WeakPolarHBondContact O-CB 3.43Å; S3-S7 PolarHBondContact O-N 3.41Å; S3-S7 VanDerWaalsContact O-N 3.08Å; S3-S7 PolarHBondContact O-OG 3.45Å; L4-S7 PolarHBondContact O-N 3.42Å; S7-Q10 PolarHBondContact O-N 2.91Å; S7-S11 WeakPolarHBondContact O-CB 3.22Å; S7-S11 PolarHBondContact O-N 2.99Å; S7-S11 PolarHBondContact O-OG 3.04Å
8L85.7Confident84.8Confident121 Ų121107.8 Ų107.863%0.63457%0.569SS**Hα-helixtrans-66.4-43.3176.1-169.371.4000111.1L4 N5 A6 S11 Y12L4-L8 WeakPolarHBondContact O-CB 3.44Å; L4-L8 PolarHBondContact O-N 3.05Å; N5-L8 PolarHBondContact O-N 3.15Å; A6-L8 PolarHBondContact O-N 3.29Å; L8-S11 PolarHBondContact O-N 3.45Å; L8-Y12 PolarHBondContact O-N 3.38Å
9Q90.3Very high85.1Confident106 Ų106107.8 Ų107.850%0.49557%0.566SS.*Hα-helixtrans-63.3-43.2176.1-167.168.112.400111.7N5 A6 S11 Y12 E13N5-Q9 PolarHBondContact O-N 3.4Å; A6-Q9 PolarHBondContact O-N 3.21Å; Q9-S11 VanDerWaalsContact C-N 3.31Å; Q9-S11 PolarHBondContact O-N 3.17Å; Q9-Y12 WeakPolarHBondContact O-CB 3.33Å; Q9-Y12 PolarHBondContact O-N 2.93Å; Q9-E13 PolarHBondContact O-N 3.27Å
10Q92.3Very high85.4Confident144 Ų144108.7 Ų108.767%0.67357%0.567SS**Hα-helixtrans-58.3-44.5175.3-167.594.235.700111.4A6 S7 Y12 E13 S14A6-Q10 WeakPolarHBondContact O-CB 3.47Å; A6-Q10 PolarHBondContact O-N 3.5Å; S7-Q10 PolarHBondContact O-N 2.91Å; Q10-Y12 VanDerWaalsContact C-N 3.33Å; Q10-Y12 PolarHBondContact O-N 3.38Å; Q10-E13 PolarHBondContact O-N 2.86Å; Q10-S14 PolarHBondContact O-N 3.48Å; Q10-S14 PolarHBondContact O-OG 3.15Å; Q10-S14 VanDerWaalsContact O-OG 3.08Å
11S88.8Confident85.5Confident64 Ų64108.3 Ų108.345%0.44857%0.565SS.*Hα-helixtrans-65.1-38.1179.2-57.10000111.7S7 L8 Q9 S14 I15S7-S11 WeakPolarHBondContact O-CB 3.22Å; S7-S11 PolarHBondContact O-N 2.99Å; S7-S11 PolarHBondContact O-OG 3.04Å; L8-S11 PolarHBondContact O-N 3.45Å; Q9-S11 VanDerWaalsContact C-N 3.31Å; Q9-S11 PolarHBondContact O-N 3.17Å; S11-S14 PolarHBondContact O-N 3.07Å; S11-I15 WeakPolarHBondContact O-CD1 3.37Å; S11-I15 VanDerWaalsContact O-CG1 3.27Å; S11-I15 WeakPolarHBondContact O-CG1 3.34Å; S11-I15 PolarHBondContact O-N 3.47Å
12Y90.1Very high86.9Confident127 Ų127104.4 Ų104.450%0.49854%0.544SS..Hα-helixtrans-65-44.6176.7177.9-113.6000112.7L8 Q9 Q10 I15 K16L8-Y12 PolarHBondContact O-N 3.38Å; Q9-Y12 WeakPolarHBondContact O-CB 3.33Å; Q9-Y12 PolarHBondContact O-N 2.93Å; Q10-Y12 VanDerWaalsContact C-N 3.33Å; Q10-Y12 PolarHBondContact O-N 3.38Å; Y12-I15 PolarHBondContact O-N 3.48Å; Y12-K16 HydrophobicContact CE1-CD 4.37Å; Y12-K16 VanDerWaalsContact CE1-NZ 3.26Å; Y12-K16 PolarHBondContact O-N 2.96Å; Y12-K16 VanDerWaalsContact O-N 3.16Å; Y12-K16 WeakPolarHBondContact OH-CE 3.37Å
13E94Very high87.9Confident73 Ų73105.1 Ų105.134%0.34154%0.539SS..Hα-helixtrans-65.5-39.6175.7-63.3-53.5144.600111.4Q9 Q10 I15 K16 D17Q9-E13 PolarHBondContact O-N 3.27Å; Q10-E13 PolarHBondContact O-N 2.86Å; E13-I15 VanDerWaalsContact C-N 3.28Å; E13-I15 PolarHBondContact O-N 2.98Å; E13-K16 VanDerWaalsContact CD-NZ 3.31Å; E13-K16 WeakPolarHBondContact O-CB 3.5Å; E13-K16 PolarHBondContact O-N 3.45Å; E13-K16 VanDerWaalsContact O-N 3.1Å; E13-K16 IonicContact OE1-NZ 2.83Å; E13-K16 PolarHBondContact OE1-NZ 3.16Å; E13-K16 WeakPolarHBondContact OE2-CD 3.48Å; E13-K16 IonicContact OE2-NZ 3.01Å; E13-K16 PolarHBondContact OE2-NZ 3.45Å; E13-D17 PolarHBondContact O-N 3.43Å
14S90.2Very high88.8Confident56 Ų56102.7 Ų102.739%0.39252%0.522SS..Hα-helixtrans-60.8-35.3174.1-63.50000113.1Q10 S11 D17 L18Q10-S14 PolarHBondContact O-N 3.48Å; Q10-S14 PolarHBondContact O-OG 3.15Å; Q10-S14 VanDerWaalsContact O-OG 3.08Å; S11-S14 PolarHBondContact O-N 3.07Å; S14-D17 PolarHBondContact O-N 3.06Å; S14-L18 WeakPolarHBondContact O-CB 3.41Å; S14-L18 WeakPolarHBondContact O-CG 3.43Å; S14-L18 PolarHBondContact O-N 3.27Å
15I90.8Very high89.3Confident98 Ų98101.9 Ų101.950%0.50352%0.517SS..Hα-helixtrans-67.7-38.4175.6-71.8164.1000111.2S11 Y12 E13 L18 H19S11-I15 WeakPolarHBondContact O-CD1 3.37Å; S11-I15 VanDerWaalsContact O-CG1 3.27Å; S11-I15 WeakPolarHBondContact O-CG1 3.34Å; S11-I15 PolarHBondContact O-N 3.47Å; Y12-I15 PolarHBondContact O-N 3.48Å; E13-I15 VanDerWaalsContact C-N 3.28Å; E13-I15 PolarHBondContact O-N 2.98Å; I15-L18 PolarHBondContact O-N 3.44Å; I15-H19 PolarHBondContact O-N 3.36Å
16K92.2Very high89.7Confident88 Ų88100.3 Ų100.338%0.38351%0.507SS..Hα-helixtrans-65-43.3174-70.1178.1-173.1158.60111.7Y12 E13 L18 H19 H20Y12-K16 HydrophobicContact CE1-CD 4.37Å; Y12-K16 VanDerWaalsContact CE1-NZ 3.26Å; Y12-K16 PolarHBondContact O-N 2.96Å; Y12-K16 VanDerWaalsContact O-N 3.16Å; Y12-K16 WeakPolarHBondContact OH-CE 3.37Å; E13-K16 VanDerWaalsContact CD-NZ 3.31Å; E13-K16 WeakPolarHBondContact O-CB 3.5Å; E13-K16 PolarHBondContact O-N 3.45Å; E13-K16 VanDerWaalsContact O-N 3.1Å; E13-K16 IonicContact OE1-NZ 2.83Å; E13-K16 PolarHBondContact OE1-NZ 3.16Å; E13-K16 WeakPolarHBondContact OE2-CD 3.48Å; E13-K16 IonicContact OE2-NZ 3.01Å; E13-K16 PolarHBondContact OE2-NZ 3.45Å; K16-L18 VanDerWaalsContact C-N 3.3Å; K16-L18 PolarHBondContact O-N 3.1Å; K16-H19 WeakPolarHBondContact O-CB 3.41Å; K16-H19 PolarHBondContact O-N 3.21Å; K16-H19 VanDerWaalsContact O-N 3.15Å; K16-H20 PolarHBondContact O-N 3.3Å
17D93.4Very high90.1Very high98 Ų98102.9 Ų102.952%0.52451%0.508SS..Hα-helixtrans-60.9-42.6177.5-69.5-22.8000110.8E13 S14 H19 H20 L21E13-D17 PolarHBondContact O-N 3.43Å; S14-D17 PolarHBondContact O-N 3.06Å; D17-H19 PolarHBondContact O-N 3.01Å; D17-H20 PolarHBondContact O-N 3.21Å; D17-L21 WeakPolarHBondContact O-CB 3.43Å; D17-L21 WeakPolarHBondContact O-CG 3.38Å; D17-L21 PolarHBondContact O-N 3.4Å
18L88Confident90Very high114 Ų114103.2 Ų103.260%0.59751%0.505SS*.Hα-helixtrans-60.8-43.2173.3-76.9170.7000112.3S14 I15 K16 H20 L21 Q22S14-L18 WeakPolarHBondContact O-CB 3.41Å; S14-L18 WeakPolarHBondContact O-CG 3.43Å; S14-L18 PolarHBondContact O-N 3.27Å; I15-L18 PolarHBondContact O-N 3.44Å; K16-L18 VanDerWaalsContact C-N 3.3Å; K16-L18 PolarHBondContact O-N 3.1Å; L18-H20 VanDerWaalsContact C-N 3.33Å; L18-H20 PolarHBondContact O-N 2.92Å; L18-L21 PolarHBondContact O-N 2.98Å; L18-Q22 WeakPolarHBondContact O-CB 3.41Å; L18-Q22 PolarHBondContact O-N 3.46Å
19H90.8Very high90Very high109 Ų109103.7 Ų103.751%0.50550%0.501SS..Hα-helixtrans-62.8-40.5176-110.6-71.2000112.4I15 K16 D17 Q22 W23I15-H19 PolarHBondContact O-N 3.36Å; K16-H19 WeakPolarHBondContact O-CB 3.41Å; K16-H19 PolarHBondContact O-N 3.21Å; K16-H19 VanDerWaalsContact O-N 3.15Å; D17-H19 PolarHBondContact O-N 3.01Å; H19-Q22 PolarHBondContact O-N 3.37Å; H19-W23 PolarHBondContact O-N 3.39Å; H19-W23 VanDerWaalsContact O-N 3.07Å
20H92Very high89.9Confident125 Ų125102.8 Ų102.858%0.57950%0.5SS*.Hα-helixtrans-65.6-45.7177.1-175.7-82.7000111.2K16 D17 L18 Q22 W23 S24K16-H20 PolarHBondContact O-N 3.3Å; D17-H20 PolarHBondContact O-N 3.21Å; L18-H20 VanDerWaalsContact C-N 3.33Å; L18-H20 PolarHBondContact O-N 2.92Å; H20-Q22 VanDerWaalsContact C-N 3.28Å; H20-Q22 PolarHBondContact O-N 2.97Å; H20-W23 WeakPolarHBondContact O-CB 3.38Å; H20-W23 PolarHBondContact O-N 2.85Å; H20-S24 PolarHBondContact O-N 3.27Å; H20-S24 PolarHBondContact O-OG 2.89Å
21L87.9Confident89.9Confident100 Ų100103.5 Ų103.552%0.52450%0.497SS..Hα-helixtrans-59-41.1174.7-73.5171.1000111.7D17 L18 W23 S24 I25D17-L21 WeakPolarHBondContact O-CB 3.43Å; D17-L21 WeakPolarHBondContact O-CG 3.38Å; D17-L21 PolarHBondContact O-N 3.4Å; L18-L21 PolarHBondContact O-N 2.98Å; L21-W23 VanDerWaalsContact C-N 3.32Å; L21-W23 PolarHBondContact O-N 3.2Å; L21-S24 PolarHBondContact O-N 2.95Å; L21-I25 WeakPolarHBondContact O-CB 3.47Å; L21-I25 VanDerWaalsContact O-CG1 3.23Å; L21-I25 WeakPolarHBondContact O-CG1 3.42Å; L21-I25 PolarHBondContact O-N 3.49Å
22Q90.4Very high89.5Confident128 Ų128106.3 Ų106.360%0.59851%0.506SS*.Hα-helixtrans-62.3-40.4177-169.7174.8-7.400112L18 H19 H20 I25 Q26L18-Q22 WeakPolarHBondContact O-CB 3.41Å; L18-Q22 PolarHBondContact O-N 3.46Å; H19-Q22 PolarHBondContact O-N 3.37Å; H20-Q22 VanDerWaalsContact C-N 3.28Å; H20-Q22 PolarHBondContact O-N 2.97Å; Q22-I25 PolarHBondContact O-N 2.94Å; Q22-Q26 WeakPolarHBondContact O-CB 3.36Å; Q22-Q26 PolarHBondContact O-N 3.18Å
23W91.8Very high89.1Confident192 Ų192103.2 Ų103.273%0.72751%0.506SS*.Hα-helixtrans-61.5-49.1172.2-93.5107.6000112.3H19 H20 L21 I25 Q26 E27H19-W23 PolarHBondContact O-N 3.39Å; H19-W23 VanDerWaalsContact O-N 3.07Å; H20-W23 WeakPolarHBondContact O-CB 3.38Å; H20-W23 PolarHBondContact O-N 2.85Å; L21-W23 VanDerWaalsContact C-N 3.32Å; L21-W23 PolarHBondContact O-N 3.2Å; W23-I25 VanDerWaalsContact C-N 3.31Å; W23-I25 PolarHBondContact O-N 3.28Å; W23-Q26 PolarHBondContact O-N 3.08Å; W23-E27 PolarHBondContact O-N 3.28Å
24S91.6Very high88.8Confident37 Ų37103.6 Ų103.626%0.25952%0.517SS..Hα-helixtrans-63.3-35.9178.6-57.30000112.7H20 L21 N28H20-S24 PolarHBondContact O-N 3.27Å; H20-S24 PolarHBondContact O-OG 2.89Å; L21-S24 PolarHBondContact O-N 2.95Å; S24-N28 WeakPolarHBondContact O-CB 3.39Å; S24-N28 VanDerWaalsContact O-CG 3.29Å; S24-N28 PolarHBondContact O-N 3.3Å; S24-N28 PolarHBondContact O-ND2 3.23Å
25I85.4Confident88.3Confident117 Ų117104.9 Ų104.960%0.652%0.523SS*.Hα-helixtrans-64.3-44.4174.6-73.5166.5000110.4L21 Q22 W23 N28 K29L21-I25 WeakPolarHBondContact O-CB 3.47Å; L21-I25 VanDerWaalsContact O-CG1 3.23Å; L21-I25 WeakPolarHBondContact O-CG1 3.42Å; L21-I25 PolarHBondContact O-N 3.49Å; Q22-I25 PolarHBondContact O-N 2.94Å; W23-I25 VanDerWaalsContact C-N 3.31Å; W23-I25 PolarHBondContact O-N 3.28Å; I25-N28 PolarHBondContact O-N 2.97Å; I25-K29 WeakPolarHBondContact O-CB 3.31Å; I25-K29 PolarHBondContact O-N 3.06Å
26Q88.1Confident87.4Confident79 Ų79103 Ų10337%0.36952%0.518SS..Hα-helixtrans-64.9-43.5179.3-175.552.947.800111.3Q22 W23 N28 K29 D30Q22-Q26 WeakPolarHBondContact O-CB 3.36Å; Q22-Q26 PolarHBondContact O-N 3.18Å; W23-Q26 PolarHBondContact O-N 3.08Å; Q26-N28 PolarHBondContact O-N 3.26Å; Q26-K29 WeakPolarHBondContact O-CB 3.37Å; Q26-K29 PolarHBondContact O-N 3.46Å; Q26-D30 PolarHBondContact NE2-OD1 3.24Å; Q26-D30 PolarHBondContact NE2-OD2 3.49Å; Q26-D30 VanDerWaalsContact O-CG 3.29Å; Q26-D30 PolarHBondContact O-N 3.3Å
27E92.9Very high86.4Confident112 Ų112100.9 Ų100.952%0.52352%0.517SS..Hα-helixtrans-60.6-45.3174.9-173.5-178.1177.200111.9W23 K29 D30 R31W23-E27 PolarHBondContact O-N 3.28Å; E27-K29 VanDerWaalsContact C-N 3.3Å; E27-K29 PolarHBondContact O-N 3.47Å; E27-D30 PolarHBondContact O-N 3.36Å; E27-R31 VanDerWaalsContact O-CG 3.31Å; E27-R31 WeakPolarHBondContact O-CG 3.42Å; E27-R31 PolarHBondContact O-N 2.88Å
28N83.1Confident85.5Confident80 Ų8098.4 Ų98.443%0.42851%0.51SS..Hα-helixtrans-64.5-34.7177.2-75.8-30.1000112.6S24 I25 Q26 R31 L32S24-N28 WeakPolarHBondContact O-CB 3.39Å; S24-N28 VanDerWaalsContact O-CG 3.29Å; S24-N28 PolarHBondContact O-N 3.3Å; S24-N28 PolarHBondContact O-ND2 3.23Å; I25-N28 PolarHBondContact O-N 2.97Å; Q26-N28 PolarHBondContact O-N 3.26Å; N28-R31 PolarHBondContact O-N 2.9Å; N28-L32 WeakPolarHBondContact O-CB 3.41Å; N28-L32 WeakPolarHBondContact O-CG 3.39Å; N28-L32 PolarHBondContact O-N 3.31Å
29K85.6Confident84.3Confident130 Ų13098 Ų9857%0.56551%0.508SS*.Hα-helixtrans-62.7-44.2173.3-180-176175.4-174.60111.2I25 Q26 E27 R31 L32 A33I25-K29 WeakPolarHBondContact O-CB 3.31Å; I25-K29 PolarHBondContact O-N 3.06Å; Q26-K29 WeakPolarHBondContact O-CB 3.37Å; Q26-K29 PolarHBondContact O-N 3.46Å; E27-K29 VanDerWaalsContact C-N 3.3Å; E27-K29 PolarHBondContact O-N 3.47Å; K29-R31 VanDerWaalsContact C-N 3.35Å; K29-L32 PolarHBondContact O-N 3Å; K29-A33 PolarHBondContact O-N 2.96Å
30D88.7Confident83Confident88 Ų8899.1 Ų99.147%0.47151%0.514SS..Hα-helixtrans-67.3-38.4178.8-62.8-26.2000111Q26 E27 A33 S34Q26-D30 PolarHBondContact NE2-OD1 3.24Å; Q26-D30 PolarHBondContact NE2-OD2 3.49Å; Q26-D30 VanDerWaalsContact O-CG 3.29Å; Q26-D30 PolarHBondContact O-N 3.3Å; E27-D30 PolarHBondContact O-N 3.36Å; D30-A33 PolarHBondContact O-N 3.49Å; D30-S34 PolarHBondContact O-N 3.27Å
31R93.1Very high82.3Confident158 Ų15899.7 Ų99.760%0.59652%0.517SS*.Hα-helixtrans-62-43.5171.9-68.7176.376.2-173.16112.2E27 N28 K29 S34 V35E27-R31 VanDerWaalsContact O-CG 3.31Å; E27-R31 WeakPolarHBondContact O-CG 3.42Å; E27-R31 PolarHBondContact O-N 2.88Å; N28-R31 PolarHBondContact O-N 2.9Å; K29-R31 VanDerWaalsContact C-N 3.35Å; R31-S34 WeakPolarHBondContact O-CB 3.49Å; R31-S34 PolarHBondContact O-N 3.02Å; R31-V35 WeakPolarHBondContact O-CG2 3.47Å; R31-V35 PolarHBondContact O-N 3.43Å
32L79.6Confident81.3Confident124 Ų124100 Ų10065%0.64952%0.518SS*.Hα-helixtrans-63.3-40.6176.4-79.5166.1000112.2N28 K29 S34 V35 S36N28-L32 WeakPolarHBondContact O-CB 3.41Å; N28-L32 WeakPolarHBondContact O-CG 3.39Å; N28-L32 PolarHBondContact O-N 3.31Å; K29-L32 PolarHBondContact O-N 3Å; L32-S34 VanDerWaalsContact C-N 3.33Å; L32-S34 PolarHBondContact O-N 2.91Å; L32-V35 PolarHBondContact O-N 2.92Å; L32-S36 WeakPolarHBondContact O-CB 3.49Å; L32-S36 PolarHBondContact O-N 3.38Å
33A80.9Confident79.9Confident61 Ų6197 Ų9750%0.50452%0.515SS..Hα-helixtrans-61.7-42.4174.700000111.4K29 D30 S36 A37K29-A33 PolarHBondContact O-N 2.96Å; D30-A33 PolarHBondContact O-N 3.49Å; A33-S36 PolarHBondContact O-N 3.32Å; A33-A37 PolarHBondContact O-N 3.1Å
34S88.8Confident78.8Confident81 Ų8192.7 Ų92.757%0.56651%0.51SS*.Hα-helixtrans-62.9-41.9175.2-173.60000112.6D30 R31 L32 A37 A38D30-S34 PolarHBondContact O-N 3.27Å; R31-S34 WeakPolarHBondContact O-CB 3.49Å; R31-S34 PolarHBondContact O-N 3.02Å; L32-S34 VanDerWaalsContact C-N 3.33Å; L32-S34 PolarHBondContact O-N 2.91Å; S34-A37 PolarHBondContact O-N 3.26Å; S34-A38 PolarHBondContact O-N 3.38Å
35V78.8Confident77.1Confident84 Ų8496 Ų9651%0.50952%0.524SS..Hα-helixtrans-66.5-41.3176.71720000110.9R31 L32 A37 A38 L39R31-V35 WeakPolarHBondContact O-CG2 3.47Å; R31-V35 PolarHBondContact O-N 3.43Å; L32-V35 PolarHBondContact O-N 2.92Å; V35-A37 PolarHBondContact O-N 3.16Å; V35-A38 PolarHBondContact O-N 3.27Å; V35-L39 HydrophobicContact CG1-CD1 4Å; V35-L39 HydrophobicContact CG1-CG 4.41Å; V35-L39 WeakPolarHBondContact O-CG 3.34Å; V35-L39 PolarHBondContact O-N 2.82Å
36S71.6Confident75.6Confident57 Ų5794.1 Ų94.140%0.39952%0.515SS..Hα-helixtrans-60.1-43.5175.8-179.60000112.1L32 A33 L39 Q40L32-S36 WeakPolarHBondContact O-CB 3.49Å; L32-S36 PolarHBondContact O-N 3.38Å; A33-S36 PolarHBondContact O-N 3.32Å; S36-L39 PolarHBondContact O-N 2.91Å; S36-Q40 WeakPolarHBondContact O-CG 3.47Å; S36-Q40 PolarHBondContact O-N 3.47Å
37A72.8Confident74.2Confident44 Ų4493.7 Ų93.736%0.36452%0.521SS..Hα-helixtrans-64.1-41.3175.800000112.3A33 S34 V35 L39 Q40 Q41A33-A37 PolarHBondContact O-N 3.1Å; S34-A37 PolarHBondContact O-N 3.26Å; V35-A37 PolarHBondContact O-N 3.16Å; A37-L39 VanDerWaalsContact C-N 3.35Å; A37-Q40 PolarHBondContact O-N 3.14Å; A37-Q41 PolarHBondContact O-N 2.97Å; A37-Q41 VanDerWaalsContact O-N 3.08Å
38A73Confident72.5Confident47 Ų4793.1 Ų93.139%0.38852%0.521SS..Hα-helixtrans-64-38.7174.900000112.2S34 V35 Q41 L42S34-A38 PolarHBondContact O-N 3.38Å; V35-A38 PolarHBondContact O-N 3.27Å; A38-Q41 PolarHBondContact O-N 2.91Å; A38-L42 PolarHBondContact O-N 3.09Å; A38-L42 VanDerWaalsContact O-N 3.07Å
39L62.8Low71.4Confident106 Ų10692.2 Ų92.256%0.55552%0.521SS*.Hα-helixtrans-65.3-38.4174.4-74.3168.8000112.3V35 S36 A37 Q41 L42 A43V35-L39 HydrophobicContact CG1-CD1 4Å; V35-L39 HydrophobicContact CG1-CG 4.41Å; V35-L39 WeakPolarHBondContact O-CG 3.34Å; V35-L39 PolarHBondContact O-N 2.82Å; S36-L39 PolarHBondContact O-N 2.91Å; A37-L39 VanDerWaalsContact C-N 3.35Å; L39-Q41 VanDerWaalsContact C-N 3.33Å; L39-Q41 PolarHBondContact O-N 3.34Å; L39-L42 HydrophobicContact CD2-CD1 4.19Å; L39-L42 WeakPolarHBondContact O-CB 3.48Å; L39-L42 PolarHBondContact O-N 2.92Å; L39-A43 PolarHBondContact O-N 3.27Å; L39-A43 VanDerWaalsContact O-N 3.14Å
40Q64.8Low70.1Confident131 Ų13191.3 Ų91.361%0.61251%0.514SS*.Hα-helixtrans-62.3-39.8173.1-73.8174.6-10.400111.9S36 A37 L42 A43 V44S36-Q40 WeakPolarHBondContact O-CG 3.47Å; S36-Q40 PolarHBondContact O-N 3.47Å; A37-Q40 PolarHBondContact O-N 3.14Å; Q40-L42 VanDerWaalsContact C-N 3.33Å; Q40-L42 PolarHBondContact O-N 3.06Å; Q40-A43 WeakPolarHBondContact O-CB 3.48Å; Q40-A43 PolarHBondContact O-N 3.26Å; Q40-V44 PolarHBondContact O-N 3.07Å
41Q76.2Confident68.6Low138 Ų13890.7 Ų90.765%0.64551%0.513SS*.Hα-helixtrans-64.7-36.6175-71179.8-7.600112.5A37 A38 L39 A43 V44 L45A37-Q41 PolarHBondContact O-N 2.97Å; A37-Q41 VanDerWaalsContact O-N 3.08Å; A38-Q41 PolarHBondContact O-N 2.91Å; L39-Q41 VanDerWaalsContact C-N 3.33Å; L39-Q41 PolarHBondContact O-N 3.34Å; Q41-A43 VanDerWaalsContact C-N 3.32Å; Q41-A43 PolarHBondContact O-N 3.18Å; Q41-V44 PolarHBondContact O-N 3.26Å; Q41-L45 PolarHBondContact O-N 3.1Å; Q41-L45 VanDerWaalsContact O-N 3.16Å
42L67.2Low67Low107 Ų10787.1 Ų87.156%0.5651%0.509SS*.Hα-helixtrans-63.4-35.6173.6-73.6168.4000112.4A38 L39 Q40 L45 D46A38-L42 PolarHBondContact O-N 3.09Å; A38-L42 VanDerWaalsContact O-N 3.07Å; L39-L42 HydrophobicContact CD2-CD1 4.19Å; L39-L42 WeakPolarHBondContact O-CB 3.48Å; L39-L42 PolarHBondContact O-N 2.92Å; Q40-L42 VanDerWaalsContact C-N 3.33Å; Q40-L42 PolarHBondContact O-N 3.06Å; L42-L45 HydrophobicContact CD2-CD1 4.35Å; L42-L45 WeakPolarHBondContact O-CB 3.49Å; L42-L45 PolarHBondContact O-N 3.23Å; L42-D46 PolarHBondContact O-N 3.39Å
43A62.2Low66.1Low64 Ų6484 Ų8453%0.52949%0.493SS..Hα-helixtrans-65.8-36174.900000112.8L39 Q40 Q41 L45 D46 S47L39-A43 PolarHBondContact O-N 3.27Å; L39-A43 VanDerWaalsContact O-N 3.14Å; Q40-A43 WeakPolarHBondContact O-CB 3.48Å; Q40-A43 PolarHBondContact O-N 3.26Å; Q41-A43 VanDerWaalsContact C-N 3.32Å; Q41-A43 PolarHBondContact O-N 3.18Å; A43-L45 VanDerWaalsContact C-N 3.33Å; A43-D46 PolarHBondContact O-N 2.85Å; A43-S47 PolarHBondContact O-N 2.96Å; A43-S47 VanDerWaalsContact O-N 3.1Å
44V68.6Low65Low102 Ų10282.3 Ų82.362%0.61848%0.481SS*.Hα-helixtrans-65.7-38.2173.7177.60000111.1Q40 Q41 S47 L48Q40-V44 PolarHBondContact O-N 3.07Å; Q41-V44 PolarHBondContact O-N 3.26Å; V44-S47 PolarHBondContact O-N 2.86Å; V44-L48 WeakPolarHBondContact O-CB 3.47Å; V44-L48 PolarHBondContact O-N 3.43Å
45L54.5Low63.8Low105 Ų10584 Ų8455%0.5548%0.483SS..Hα-helixtrans-65.1-39.5175.7-76.3166.3000112.5Q41 L42 A43 L48 S49Q41-L45 PolarHBondContact O-N 3.1Å; Q41-L45 VanDerWaalsContact O-N 3.16Å; L42-L45 HydrophobicContact CD2-CD1 4.35Å; L42-L45 WeakPolarHBondContact O-CB 3.49Å; L42-L45 PolarHBondContact O-N 3.23Å; A43-L45 VanDerWaalsContact C-N 3.33Å; L45-L48 PolarHBondContact O-N 2.89Å; L45-S49 WeakPolarHBondContact O-CB 3.27Å; L45-S49 PolarHBondContact O-N 3.28Å
46D55.8Low62.9Low79 Ų7985.6 Ų85.642%0.42248%0.483SS..Hα-helixtrans-61.7-46.1173.4-174.267.6000111.4L42 A43 L48 S49 R50L42-D46 PolarHBondContact O-N 3.39Å; A43-D46 PolarHBondContact O-N 2.85Å; D46-L48 VanDerWaalsContact C-N 3.31Å; D46-L48 PolarHBondContact O-N 2.89Å; D46-S49 WeakPolarHBondContact O-CB 3.46Å; D46-S49 PolarHBondContact O-N 2.86Å; D46-R50 WeakPolarHBondContact O-CG 3.45Å; D46-R50 PolarHBondContact O-N 3.09Å; D46-R50 IonicContact OD1-NE 3.89Å; D46-R50 IonicContact OD1-NH2 3.21Å; D46-R50 IonicContact OD2-CZ 3.74Å; D46-R50 VanDerWaalsContact OD2-CZ 3.3Å; D46-R50 IonicContact OD2-NE 2.79Å; D46-R50 PolarHBondContact OD2-NE 3.46Å; D46-R50 IonicContact OD2-NH2 2.67Å; D46-R50 PolarHBondContact OD2-NH2 3.28Å
47S58.5Low62.5Low69 Ų6983.4 Ų83.448%0.48347%0.468SS..Hα-helixtrans-61.3-38.9175.7-178.20000112.6A43 V44 T51A43-S47 PolarHBondContact O-N 2.96Å; A43-S47 VanDerWaalsContact O-N 3.1Å; V44-S47 PolarHBondContact O-N 2.86Å; S47-T51 PolarHBondContact O-N 3.37Å; S47-T51 VanDerWaalsContact O-N 3.1Å; S47-T51 PolarHBondContact O-OG1 2.9Å
48L56.1Low62Low100 Ų10083.7 Ų83.752%0.52447%0.467SS..Hα-helixtrans-69.5-40.7177.1-173.664.3000111.5V44 L45 D46 T51 V52V44-L48 WeakPolarHBondContact O-CB 3.47Å; V44-L48 PolarHBondContact O-N 3.43Å; L45-L48 PolarHBondContact O-N 2.89Å; D46-L48 VanDerWaalsContact C-N 3.31Å; D46-L48 PolarHBondContact O-N 2.89Å; L48-T51 WeakPolarHBondContact O-CB 3.37Å; L48-T51 PolarHBondContact O-N 3.48Å; L48-V52 WeakPolarHBondContact O-CG2 3.31Å; L48-V52 PolarHBondContact O-N 3.48Å
49S60Low61.2Low61 Ų6186.6 Ų86.643%0.42748%0.476SS..Hα-helixtrans-56.9-50.6174.2-166.90000110.7L45 D46 T51 V52 D53L45-S49 WeakPolarHBondContact O-CB 3.27Å; L45-S49 PolarHBondContact O-N 3.28Å; D46-S49 WeakPolarHBondContact O-CB 3.46Å; D46-S49 PolarHBondContact O-N 2.86Å; S49-T51 VanDerWaalsContact C-N 3.26Å; S49-T51 PolarHBondContact O-N 3.48Å; S49-V52 PolarHBondContact O-N 3.37Å; S49-V52 VanDerWaalsContact O-N 3.09Å; S49-D53 VanDerWaalsContact O-CG 3.26Å; S49-D53 PolarHBondContact O-N 3.42Å; S49-D53 VanDerWaalsContact O-OD2 3.12Å
50R58.5Low61.1Low112 Ų11286.2 Ų86.242%0.42347%0.471SS..Hα-helixtrans-58.1-38176.5-66.9173.1-166.8-97.9-2.3112.7D46 D53 G54 G113D46-R50 WeakPolarHBondContact O-CG 3.45Å; D46-R50 PolarHBondContact O-N 3.09Å; D46-R50 IonicContact OD1-NE 3.89Å; D46-R50 IonicContact OD1-NH2 3.21Å; D46-R50 IonicContact OD2-CZ 3.74Å; D46-R50 VanDerWaalsContact OD2-CZ 3.3Å; D46-R50 IonicContact OD2-NE 2.79Å; D46-R50 PolarHBondContact OD2-NE 3.46Å; D46-R50 IonicContact OD2-NH2 2.67Å; D46-R50 PolarHBondContact OD2-NH2 3.28Å; R50-D53 PolarHBondContact O-N 3.34Å; R50-G54 PolarHBondContact O-N 2.91Å; R50-G113 PolarHBondContact NH1-O 3.42Å
51T58.2Low60.8Low75 Ų7583.9 Ų83.946%0.4646%0.46SS..Hα-helixtrans-67.1-42.5177.1-54.40000111.3S47 L48 S49 G54 L55S47-T51 PolarHBondContact O-N 3.37Å; S47-T51 VanDerWaalsContact O-N 3.1Å; S47-T51 PolarHBondContact O-OG1 2.9Å; L48-T51 WeakPolarHBondContact O-CB 3.37Å; L48-T51 PolarHBondContact O-N 3.48Å; S49-T51 VanDerWaalsContact C-N 3.26Å; S49-T51 PolarHBondContact O-N 3.48Å; T51-G54 PolarHBondContact O-N 3.33Å; T51-L55 HydrophobicContact CG2-CD1 4.37Å; T51-L55 WeakPolarHBondContact O-CB 3.47Å; T51-L55 WeakPolarHBondContact O-CG 3.15Å; T51-L55 PolarHBondContact O-N 2.97Å
52V58.7Low59.7Low82 Ų8282.8 Ų82.850%0.49746%0.458SS..Hα-helixtrans-64.8-41.9175.6170.30000111L48 S49 L55 K56L48-V52 WeakPolarHBondContact O-CG2 3.31Å; L48-V52 PolarHBondContact O-N 3.48Å; S49-V52 PolarHBondContact O-N 3.37Å; S49-V52 VanDerWaalsContact O-N 3.09Å; V52-L55 PolarHBondContact O-N 2.91Å; V52-K56 VanDerWaalsContact O-CB 3.31Å; V52-K56 WeakPolarHBondContact O-CB 3.4Å; V52-K56 PolarHBondContact O-N 2.94Å
53D59.9Low59.1Low59 Ų5981.2 Ų81.232%0.31645%0.452SS..Hα-helixtrans-62.7-42.7175.6-65.9-35000111.1S49 R50 K56 C57S49-D53 VanDerWaalsContact O-CG 3.26Å; S49-D53 PolarHBondContact O-N 3.42Å; S49-D53 VanDerWaalsContact O-OD2 3.12Å; R50-D53 PolarHBondContact O-N 3.34Å; D53-K56 PolarHBondContact O-N 3.38Å; D53-C57 WeakPolarHBondContact O-CB 3.2Å; D53-C57 PolarHBondContact O-N 3.24Å
54G59.3Low58.7Low25 Ų2580.8 Ų80.826%0.25845%0.445SS..Hα-helixtrans-64.8-39.6174.800000114R50 T51 C57 S58R50-G54 PolarHBondContact O-N 2.91Å; T51-G54 PolarHBondContact O-N 3.33Å; G54-C57 VanDerWaalsContact O-CB 3.3Å; G54-C57 WeakPolarHBondContact O-CB 3.24Å; G54-C57 PolarHBondContact O-N 3.28Å; G54-S58 PolarHBondContact O-N 3.4Å; G54-S58 PolarHBondContact O-OG 3.01Å
55L61.9Low58Low116 Ų11681.7 Ų81.761%0.60745%0.447SS*.Hα-helixtrans-67.9-42.9174.8-74.9174.2000111.8T51 V52 C57 S58 L59T51-L55 HydrophobicContact CG2-CD1 4.37Å; T51-L55 WeakPolarHBondContact O-CB 3.47Å; T51-L55 WeakPolarHBondContact O-CG 3.15Å; T51-L55 PolarHBondContact O-N 2.97Å; V52-L55 PolarHBondContact O-N 2.91Å; L55-C57 VanDerWaalsContact C-N 3.27Å; L55-C57 PolarHBondContact O-N 2.9Å; L55-S58 PolarHBondContact O-N 3.4Å; L55-L59 WeakPolarHBondContact O-CB 3.5Å; L55-L59 PolarHBondContact O-N 3.14Å
56K60.9Low58Low118 Ų11881.5 Ų81.551%0.51345%0.446SS..Hα-helixtrans-58.1-43.3173.2-179.1-177.2173.9-168.80110.5V52 D53 L59 E60V52-K56 VanDerWaalsContact O-CB 3.31Å; V52-K56 WeakPolarHBondContact O-CB 3.4Å; V52-K56 PolarHBondContact O-N 2.94Å; D53-K56 PolarHBondContact O-N 3.38Å; K56-L59 WeakPolarHBondContact O-CB 3.47Å; K56-L59 PolarHBondContact O-N 3.06Å; K56-E60 WeakPolarHBondContact CE-OE1 3.44Å; K56-E60 WeakPolarHBondContact O-CG 3.46Å; K56-E60 PolarHBondContact O-N 2.75Å
57C61.8Low58Low11 Ų1182.7 Ų82.77%0.07446%0.457CS..Hα-helixtrans-59.3-49.1176-148.40000113D53 G54 L55 L59 E60 Q61 C104D53-C57 WeakPolarHBondContact O-CB 3.2Å; D53-C57 PolarHBondContact O-N 3.24Å; G54-C57 VanDerWaalsContact O-CB 3.3Å; G54-C57 WeakPolarHBondContact O-CB 3.24Å; G54-C57 PolarHBondContact O-N 3.28Å; L55-C57 VanDerWaalsContact C-N 3.27Å; L55-C57 PolarHBondContact O-N 2.9Å; C57-L59 VanDerWaalsContact C-N 3.25Å; C57-L59 PolarHBondContact O-N 3.04Å; C57-E60 PolarHBondContact O-N 3.45Å; C57-Q61 WeakPolarHBondContact O-CG 3.33Å; C57-Q61 PolarHBondContact O-N 3.28Å; C57-C104 HydrophobicContact CB-CB 4.12Å; C57-C104 WeakPolarHBondContact CB-SG 3.44Å; C57-C104 VanDerWaalsContact SG-CA 3.55Å; C57-C104 WeakPolarHBondContact SG-CB 3.27Å; C57-C104 CovalentContact SG-SG 2.02Å; C57-C104 PolarHBondContact SG-SG 3.39Å
58S62.3Low57.8Low50 Ų5082.8 Ų82.835%0.3546%0.457SS..Hα-helixtrans-61.8-38.3179.7-60.70000110.9G54 L55 I62G54-S58 PolarHBondContact O-N 3.4Å; G54-S58 PolarHBondContact O-OG 3.01Å; L55-S58 PolarHBondContact O-N 3.4Å; S58-I62 WeakPolarHBondContact O-CD1 3.23Å; S58-I62 VanDerWaalsContact O-CG1 3.27Å; S58-I62 WeakPolarHBondContact O-CG1 3.49Å; S58-I62 PolarHBondContact O-N 3.42Å; S58-I62 VanDerWaalsContact O-N 3.1Å
59L58Low57.6Low109 Ų10981.5 Ų81.557%0.57145%0.453SS*.Hα-helixtrans-66-45.2174.7-176.664.2000112L55 K56 C57 Q61 I62 V63L55-L59 WeakPolarHBondContact O-CB 3.5Å; L55-L59 PolarHBondContact O-N 3.14Å; K56-L59 WeakPolarHBondContact O-CB 3.47Å; K56-L59 PolarHBondContact O-N 3.06Å; C57-L59 VanDerWaalsContact C-N 3.25Å; C57-L59 PolarHBondContact O-N 3.04Å; L59-Q61 VanDerWaalsContact C-N 3.3Å; L59-Q61 PolarHBondContact O-N 3.39Å; L59-I62 PolarHBondContact O-N 3.49Å; L59-V63 HydrophobicContact CD1-CG2 4.42Å; L59-V63 HydrophobicContact CG-CG2 4.48Å; L59-V63 WeakPolarHBondContact O-CB 3.43Å; L59-V63 VanDerWaalsContact O-CG2 3.24Å; L59-V63 WeakPolarHBondContact O-CG2 3.32Å; L59-V63 PolarHBondContact O-N 3.48Å
60E59Low57.3Low98 Ų9882.6 Ų82.646%0.45845%0.454SS..Hα-helixtrans-60-40177.2-75.3174.3-179.300111.8K56 C57 V63 S64K56-E60 WeakPolarHBondContact CE-OE1 3.44Å; K56-E60 WeakPolarHBondContact O-CG 3.46Å; K56-E60 PolarHBondContact O-N 2.75Å; C57-E60 PolarHBondContact O-N 3.45Å; E60-V63 PolarHBondContact O-N 3.24Å; E60-S64 PolarHBondContact O-N 3.03Å; E60-S64 PolarHBondContact O-OG 2.97Å
61Q58.7Low57.2Low82 Ų8280.2 Ų80.238%0.38346%0.455SS..Hα-helixtrans-66.6-39.7175.6-68.8-67.5-46.900112.9C57 L59 S64 N65C57-Q61 WeakPolarHBondContact O-CG 3.33Å; C57-Q61 PolarHBondContact O-N 3.28Å; L59-Q61 VanDerWaalsContact C-N 3.3Å; L59-Q61 PolarHBondContact O-N 3.39Å; Q61-S64 WeakPolarHBondContact CA-OG 3.48Å; Q61-S64 PolarHBondContact O-N 3.43Å; Q61-S64 PolarHBondContact O-OG 2.8Å; Q61-N65 PolarHBondContact O-N 3.3Å
62I54.1Low57.1Low115 Ų11585.8 Ų85.859%0.5947%0.467SS*.Hα-helixtrans-64.4-43.3174.5-69.8165000110.1S58 L59 N65 D66S58-I62 WeakPolarHBondContact O-CD1 3.23Å; S58-I62 VanDerWaalsContact O-CG1 3.27Å; S58-I62 WeakPolarHBondContact O-CG1 3.49Å; S58-I62 PolarHBondContact O-N 3.42Å; S58-I62 VanDerWaalsContact O-N 3.1Å; L59-I62 PolarHBondContact O-N 3.49Å; I62-N65 PolarHBondContact O-N 3.32Å; I62-D66 PolarHBondContact O-N 3.42Å
63V53.9Low56.6Low73 Ų7387.3 Ų87.344%0.44247%0.472SS..Hα-helixtrans-65.7-38.2178.8171.10000111.7L59 E60 N65 D66 L70L59-V63 HydrophobicContact CD1-CG2 4.42Å; L59-V63 HydrophobicContact CG-CG2 4.48Å; L59-V63 WeakPolarHBondContact O-CB 3.43Å; L59-V63 VanDerWaalsContact O-CG2 3.24Å; L59-V63 WeakPolarHBondContact O-CG2 3.32Å; L59-V63 PolarHBondContact O-N 3.48Å; E60-V63 PolarHBondContact O-N 3.24Å; V63-N65 VanDerWaalsContact C-N 3.33Å; V63-N65 PolarHBondContact O-N 2.99Å; V63-D66 PolarHBondContact O-N 3.37Å; V63-L70 HydrophobicContact CG1-CD1 4.32Å
64S53.5Low56.1Low55 Ų5591.6 Ų91.639%0.38548%0.484SS..Hα-helixtrans-69.5-28.8177.159.60000113.7E60 Q61 D66E60-S64 PolarHBondContact O-N 3.03Å; E60-S64 PolarHBondContact O-OG 2.97Å; Q61-S64 WeakPolarHBondContact CA-OG 3.48Å; Q61-S64 PolarHBondContact O-N 3.43Å; Q61-S64 PolarHBondContact O-OG 2.8Å; S64-D66 VanDerWaalsContact C-N 3.28Å; S64-D66 PolarHBondContact O-N 2.99Å
65N53.7Low55.8Low122 Ų12293.7 Ų93.765%0.65249%0.494SS*.Hα-helixtrans-74.7-18177.2-80.7-16.2000112.9Q61 I62 V63 T67Q61-N65 PolarHBondContact O-N 3.3Å; I62-N65 PolarHBondContact O-N 3.32Å; V63-N65 VanDerWaalsContact C-N 3.33Å; V63-N65 PolarHBondContact O-N 2.99Å; N65-T67 VanDerWaalsContact C-N 3.27Å; N65-T67 PolarHBondContact O-N 3.03Å; N65-T67 VanDerWaalsContact O-N 3.09Å
66D56.3Low55.5Low100 Ų10092.9 Ų92.954%0.53549%0.494SS..  trans-8962.6177.6-134.4-8.2000111.2I62 V63 S64 S68 T69I62-D66 PolarHBondContact O-N 3.42Å; V63-D66 PolarHBondContact O-N 3.37Å; S64-D66 VanDerWaalsContact C-N 3.28Å; S64-D66 PolarHBondContact O-N 2.99Å; D66-S68 PolarHBondContact O-N 3.34Å; D66-T69 PolarHBondContact O-N 3.5Å; D66-T69 PolarHBondContact O-OG1 3.08Å
67T54.1Low55.3Low105 Ų10593.6 Ų93.664%0.64450%0.5SS*.Hα-helixtrans-60.9-10.4-169.853.70000116N65 S71N65-T67 VanDerWaalsContact C-N 3.27Å; N65-T67 PolarHBondContact O-N 3.03Å; N65-T67 VanDerWaalsContact O-N 3.09Å; T67-S71 PolarHBondContact O-OG 3.5Å
68S54.7Low55Low70 Ų7099.3 Ų99.349%0.4952%0.523SS..Hα-helixtrans-84.9-22.3-174.373.30000114.6D66 R72D66-S68 PolarHBondContact O-N 3.34Å; S68-R72 VanDerWaalsContact O-CD 3.22Å; S68-R72 WeakPolarHBondContact O-CD 3.35Å; S68-R72 WeakPolarHBondContact O-CG 3.35Å
69T53.1Low54.5Low73 Ų73100.7 Ų100.745%0.44854%0.538SS..Hα-helixtrans-95.1-38.2-177.950.60000111.9D66 R72 L73D66-T69 PolarHBondContact O-N 3.5Å; D66-T69 PolarHBondContact O-OG1 3.08Å; T69-R72 PolarHBondContact O-N 3.08Å; T69-L73 WeakPolarHBondContact O-CG 2.84Å; T69-L73 PolarHBondContact O-N 2.94Å
70L53.1Low53.9Low84 Ų84102.5 Ų102.544%0.4455%0.547SS..Hα-helixtrans-69.3-38.4180-68.1174000113.4V63 R72 L73 W74V63-L70 HydrophobicContact CG1-CD1 4.32Å; L70-R72 VanDerWaalsContact C-N 3.3Å; L70-R72 PolarHBondContact O-N 2.98Å; L70-L73 PolarHBondContact O-N 3.25Å; L70-W74 WeakPolarHBondContact O-CB 3.3Å; L70-W74 PolarHBondContact O-N 3.4Å
71S55.5Low53.3Low62 Ų62102.3 Ų102.343%0.43456%0.557SS.*Hα-helixtrans-64.3-34.2176.651.10000112.7T67 S75T67-S71 PolarHBondContact O-OG 3.5Å; S71-S75 WeakPolarHBondContact O-CB 3.42Å; S71-S75 PolarHBondContact O-N 2.98Å; S71-S75 PolarHBondContact O-OG 3.4Å
72R56.4Low52.9Low192 Ų192105.8 Ų105.873%0.72558%0.578SS**Hα-helixtrans-76.6-39.6177.3-61.9177.891.6-170.96.5111.6S68 T69 L70 S75 V76S68-R72 VanDerWaalsContact O-CD 3.22Å; S68-R72 WeakPolarHBondContact O-CD 3.35Å; S68-R72 WeakPolarHBondContact O-CG 3.35Å; T69-R72 PolarHBondContact O-N 3.08Å; L70-R72 VanDerWaalsContact C-N 3.3Å; L70-R72 PolarHBondContact O-N 2.98Å; R72-S75 PolarHBondContact O-N 3.31Å; R72-V76 WeakPolarHBondContact O-CG2 3.49Å; R72-V76 PolarHBondContact O-N 2.9Å
73L48.8Very low52.7Low114 Ų114108.4 Ų108.460%0.59759%0.588SS**Hα-helixtrans-65.7-43.9175.5-75.1165.9000112T69 L70 S75 V76 E77T69-L73 WeakPolarHBondContact O-CG 2.84Å; T69-L73 PolarHBondContact O-N 2.94Å; L70-L73 PolarHBondContact O-N 3.25Å; L73-S75 VanDerWaalsContact C-N 3.33Å; L73-S75 PolarHBondContact O-N 3.08Å; L73-V76 PolarHBondContact O-N 3.49Å; L73-E77 WeakPolarHBondContact O-CB 2.86Å; L73-E77 PolarHBondContact O-N 3.02Å
74W48.9Very low52.3Low149 Ų149109.7 Ų109.756%0.56460%0.596SS**Hα-helixtrans-63.6-36.8176.4-174.875.5000112.8L70 V76 E77 K78L70-W74 WeakPolarHBondContact O-CB 3.3Å; L70-W74 PolarHBondContact O-N 3.4Å; W74-V76 VanDerWaalsContact C-N 3.34Å; W74-V76 PolarHBondContact O-N 2.79Å; W74-E77 PolarHBondContact O-N 3.1Å; W74-K78 HydrophobicContact CE3-CD 4.47Å; W74-K78 HydrophobicContact CH2-CD 3.85Å; W74-K78 VanDerWaalsContact CH2-NZ 3.32Å; W74-K78 HydrophobicContact CZ2-CD 4.01Å; W74-K78 HydrophobicContact CZ3-CD 4.06Å; W74-K78 WeakPolarHBondContact O-CB 3.37Å; W74-K78 PolarHBondContact O-N 3.41Å
75S53.8Low52.2Low69 Ų69115.8 Ų115.848%0.48362%0.618SS.*Hα-helixtrans-66-37177.4-61.50000112.3S71 R72 L73 A79S71-S75 WeakPolarHBondContact O-CB 3.42Å; S71-S75 PolarHBondContact O-N 2.98Å; S71-S75 PolarHBondContact O-OG 3.4Å; R72-S75 PolarHBondContact O-N 3.31Å; L73-S75 VanDerWaalsContact C-N 3.33Å; L73-S75 PolarHBondContact O-N 3.08Å; S75-A79 PolarHBondContact O-N 2.98Å
76V55.3Low51.9Low100 Ų100119.4 Ų119.461%0.60662%0.623SS**Hα-helixtrans-74.5-40.9176.5174.10000111R72 L73 W74 A79 L80R72-V76 WeakPolarHBondContact O-CG2 3.49Å; R72-V76 PolarHBondContact O-N 2.9Å; L73-V76 PolarHBondContact O-N 3.49Å; W74-V76 VanDerWaalsContact C-N 3.34Å; W74-V76 PolarHBondContact O-N 2.79Å; V76-A79 PolarHBondContact O-N 3Å; V76-L80 PolarHBondContact O-N 2.92Å; V76-L80 VanDerWaalsContact O-N 3.15Å
77E55.4Low51.2Low133 Ų133119.9 Ų119.962%0.62163%0.625SS**Hα-helixtrans-62.1-43.8175.7-173.9180-167.400112L73 W74 A79 L80 S81L73-E77 WeakPolarHBondContact O-CB 2.86Å; L73-E77 PolarHBondContact O-N 3.02Å; W74-E77 PolarHBondContact O-N 3.1Å; E77-A79 VanDerWaalsContact C-N 3.29Å; E77-A79 PolarHBondContact O-N 3.19Å; E77-L80 PolarHBondContact O-N 2.02Å; E77-L80 VanDerWaalsContact O-N 3.14Å; E77-S81 PolarHBondContact O-N 3.21Å
78K56Low51Low130 Ų130121.7 Ų121.757%0.56563%0.628SS**Hα-helixtrans-65.5-31.8177.2-164.2178.2-171.7-179.70112.7W74W74-K78 HydrophobicContact CE3-CD 4.47Å; W74-K78 HydrophobicContact CH2-CD 3.85Å; W74-K78 VanDerWaalsContact CH2-NZ 3.32Å; W74-K78 HydrophobicContact CZ2-CD 4.01Å; W74-K78 HydrophobicContact CZ3-CD 4.06Å; W74-K78 WeakPolarHBondContact O-CB 3.37Å; W74-K78 PolarHBondContact O-N 3.41Å
79A52Low50.8Low80 Ų80122.7 Ų122.766%0.66164%0.635SS**Hα-helixtrans-72.5-29.6174.400000112.5S75 V76 E77S75-A79 PolarHBondContact O-N 2.98Å; V76-A79 PolarHBondContact O-N 3Å; E77-A79 VanDerWaalsContact C-N 3.29Å; E77-A79 PolarHBondContact O-N 3.19Å
80L45.3Very low50.6Low147 Ų147123.7 Ų123.777%0.7764%0.64SS**Hα-helixtrans-84-23.8178.3-138.776.9000113.2V76 E77 N82V76-L80 PolarHBondContact O-N 2.92Å; V76-L80 VanDerWaalsContact O-N 3.15Å; E77-L80 PolarHBondContact O-N 2.02Å; E77-L80 VanDerWaalsContact O-N 3.14Å; L80-N82 VanDerWaalsContact C-N 3.34Å; L80-N82 PolarHBondContact O-N 2.91Å
81S46.8Very low50.4Low94 Ų94125.9 Ų125.966%0.65765%0.648SS**SBendtrans-76.6-7.4-177-177.50000115.3E77 Q83E77-S81 PolarHBondContact O-N 3.21Å; S81-Q83 PolarHBondContact O-N 3.19Å
82N50.8Low49.9Very low154 Ų154133.3 Ų133.382%0.82467%0.667SS**SBendtrans-79.419-178.5-160.524.2000113.8L80L80-N82 VanDerWaalsContact C-N 3.34Å; L80-N82 PolarHBondContact O-N 2.91Å
83Q50.1Low49.1Very low171 Ų171132.5 Ų132.580%0.79968%0.676SS**SBendtrans-150.660.6-177.1-156.9160.719.600112.1S81S81-Q83 PolarHBondContact O-N 3.19Å
84T45Very low48.8Very low99 Ų99130.6 Ų130.661%0.60768%0.677SS**  trans175.6106.4141.744.60000110.5W86T84-W86 PolarHBondContact O-N 3.21Å
85E51.1Low48.6Very low184 Ų184132.9 Ų132.986%0.8669%0.691SS**THydrogen-bonded Turntrans-66.5-1177.1-71.2178.7146.400114.5
86W47.5Very low47.7Very low198 Ų198132.3 Ų132.375%0.7570%0.695SS**THydrogen-bonded Turntrans-76.2-23.4-175.7-17477000114.3T84T84-W86 PolarHBondContact O-N 3.21Å
87L41.5Very low46.9Very low110 Ų110133.5 Ų133.558%0.57671%0.708SS**G310 helixtrans-76.6-27.8177.9-76.2168.5000113.8S89 V90L87-S89 PolarHBondContact O-N 3.3Å; L87-V90 PolarHBondContact O-N 3.39Å
88M50.1Low45.8Very low143 Ų143133.3 Ų133.370%0.70472%0.716SS**G310 helixtrans-65.8-20.9178.5-74.2-109.8-81.200113
89S50.5Low44.9Very low91 Ų91131.2 Ų131.264%0.63672%0.718SS**G310 helixtrans-82-24177.5-620000113.2L87L87-S89 PolarHBondContact O-N 3.3Å
90V47.7Very low44.2Very low93 Ų93134.9 Ų134.956%0.56473%0.731SS**G310 helixtrans-81.1-23.5177.1-171.90000111.3L87 R92L87-V90 PolarHBondContact O-N 3.39Å; V90-R92 VanDerWaalsContact C-N 3.28Å; V90-R92 PolarHBondContact O-N 2.98Å
91Q49.8Very low44.6Very low130 Ų130131.4 Ų131.461%0.60772%0.719SS**G310 helixtrans-72.6-10.3177.9-111.9166.8-19.100115.1L93 A94Q91-L93 VanDerWaalsContact C-N 3.32Å; Q91-L93 PolarHBondContact O-N 2.98Å; Q91-A94 PolarHBondContact O-N 2.76Å
92R45.8Very low44.6Very low218 Ų218134.3 Ų134.382%0.82373%0.727SS**G310 helixtrans-81.5-3.1177.1-78.8-174.8-174.4-179.12.5115V90V90-R92 VanDerWaalsContact C-N 3.28Å; V90-R92 PolarHBondContact O-N 2.98Å
93L39Very low44.8Very low175 Ų175128.8 Ų128.892%0.91671%0.707SS**G310 helixtrans-102.44.1167-68173.5000113.4Q91Q91-L93 VanDerWaalsContact C-N 3.32Å; Q91-L93 PolarHBondContact O-N 2.98Å
94A43.6Very low45.8Very low75 Ų75123.7 Ų123.762%0.6269%0.689SS**SBendtrans-113.229.8173.500000112.6Q91Q91-A94 PolarHBondContact O-N 2.76Å
95K43.4Very low47.7Very low197 Ų197119.9 Ų119.986%0.85767%0.667SS**  trans-110.864162.5-82.7-172.2175.4-177.90110.1
96G35Very low49.2Very low56 Ų56113.6 Ų113.658%0.57764%0.642SS**SBendtrans-87.3124.7134.500000105.6V98G96-V98 VanDerWaalsContact C-N 3.33Å; G96-V98 PolarHBondContact O-N 3.03Å
97S38Very low50.8Low126 Ų126110 Ų11088%0.88164%0.637SS**  trans-60.695.7171.849.40000109
98V33.5Very low52.7Low129 Ų129107.6 Ų107.678%0.78264%0.639SS**  trans-87.9104162.8178.80000105.6G96 V100G96-V98 VanDerWaalsContact C-N 3.33Å; G96-V98 PolarHBondContact O-N 3.03Å; V98-V100 PolarHBondContact O-N 2.79Å
99S35.6Very low54.8Low86 Ų86102.3 Ų102.360%0.60161%0.611SS**  trans-55.9130.1160.944.90000108.1S101S99-S101 PolarHBondContact O-N 3.32Å
100V38.6Very low56.7Low156 Ų156102.7 Ų102.795%0.94560%0.603SS**SBendtrans-7187.3164.4-179.90000106.7V98V98-V100 PolarHBondContact O-N 2.79Å
101S53Low58.7Low74 Ų74101.4 Ų101.452%0.51760%0.595SS.*  trans-152.3110.3159.459.30000106.1S99S99-S101 PolarHBondContact O-N 3.32Å
102D47.5Very low60.7Low155 Ų15598 Ų9883%0.82958%0.578SS**SBendtrans-178.8102.6136.9-86.3-17.9000108.5
103G54.4Low62.6Low38 Ų3889.5 Ų89.539%0.39256%0.558SS.*SBendtrans132.1-11.8162.800000117.7
104C71.4Confident64.9Low64 Ų6486.5 Ų86.543%0.43255%0.552SS.*  trans-112.4109.3-165.1-100.70000113.7C57C57-C104 HydrophobicContact CB-CB 4.12Å; C57-C104 WeakPolarHBondContact CB-SG 3.44Å; C57-C104 VanDerWaalsContact SG-CA 3.55Å; C57-C104 WeakPolarHBondContact SG-CB 3.27Å; C57-C104 CovalentContact SG-SG 2.02Å; C57-C104 PolarHBondContact SG-SG 3.39Å
105C84Confident67.2Low20 Ų2083.9 Ų83.914%0.13553%0.529CS..PPolyproline II helixtrans-91.5133.1168.9-64.10000111.3W109 T111 C116C105-W109 HydrophobicContact CB-CB 4.02Å; C105-T111 WeakPolarHBondContact CB-OG1 3.21Å; C105-T111 PolarHBondContact SG-OG1 2.88Å; C105-C116 WeakPolarHBondContact CA-SG 3.22Å; C105-C116 HydrophobicContact CB-CB 3.69Å; C105-C116 WeakPolarHBondContact CB-SG 3.3Å; C105-C116 WeakPolarHBondContact SG-CA 3.41Å; C105-C116 WeakPolarHBondContact SG-CB 3.28Å; C105-C116 CovalentContact SG-SG 2.02Å; C105-C116 PolarHBondContact SG-SG 3.04Å
106P83.3Confident69.6Low52 Ų5275.1 Ų75.134%0.33849%0.493SS..PPolyproline II helixtrans-56.2156.5172.7-33.937.8000114G108 W109P106-G108 PolarHBondContact O-N 2.02Å; P106-W109 VanDerWaalsContact O-CB 3.28Å; P106-W109 WeakPolarHBondContact O-CB 3.01Å; P106-W109 PolarHBondContact O-N 2.89Å
107L80.8Confident72.6Confident122 Ų12272.5 Ų72.564%0.63947%0.465SS*.THydrogen-bonded Turntrans-52.8130.9-176.7-68.2172.4000111.8W109L107-W109 VanDerWaalsContact C-N 3.35Å
108G82.9Confident75.4Confident60 Ų6067.6 Ų67.662%0.61943%0.429SS*.THydrogen-bonded Turntrans85.32.8-177.300000114.8P106 L118P106-G108 PolarHBondContact O-N 2.02Å; G108-L118 WeakPolarHBondContact O-CD1 3.49Å
109W92.4Very high78.5Confident31 Ų3163 Ų6312%0.11740%0.399CS..  trans-107137.3172.4-63.964000110.6C105 P106 L107 C116 Y117 L118 C230 R232C105-W109 HydrophobicContact CB-CB 4.02Å; P106-W109 VanDerWaalsContact O-CB 3.28Å; P106-W109 WeakPolarHBondContact O-CB 3.01Å; P106-W109 PolarHBondContact O-N 2.89Å; L107-W109 VanDerWaalsContact C-N 3.35Å; W109-C116 HydrophobicContact CB-CB 4.21Å; W109-C116 HydrophobicContact CE3-CB 3.93Å; W109-Y117 CarbonylContact C-O 3.5Å; W109-Y117 VanDerWaalsContact CA-O 3.3Å; W109-Y117 WeakPolarHBondContact CA-O 3.28Å; W109-Y117 VanDerWaalsContact CE3-C 3.47Å; W109-L118 HydrophobicContact CD2-CB 3.57Å; W109-L118 HydrophobicContact CD2-CD1 4.5Å; W109-L118 HydrophobicContact CE3-CB 3.68Å; W109-L118 VanDerWaalsContact CE3-N 3.31Å; W109-L118 HydrophobicContact CG-CB 4.24Å; W109-L118 HydrophobicContact CG-CD1 4.45Å; W109-L118 HydrophobicContact CH2-CB 3.79Å; W109-L118 HydrophobicContact CZ2-CB 3.7Å; W109-L118 HydrophobicContact CZ2-CD2 3.89Å; W109-L118 HydrophobicContact CZ2-CG 4.34Å; W109-L118 HydrophobicContact CZ3-CB 3.78Å; W109-C230 HydrophobicContact CH2-CB 3.51Å; W109-C230 HydrophobicContact CZ2-CB 4.46Å; W109-C230 HydrophobicContact CZ3-CB 3.87Å; W109-R232 HydrophobicContact CE3-CG 4.33Å; W109-R232 HydrophobicContact CZ3-CG 4.08Å
110E91.4Very high81.5Confident100 Ų10059.3 Ų59.347%0.46737%0.373SS..EExtended strand (participates in β ladder)trans-87.7137.3177.3-58.7-62.4161.200110.2C116 Y117 F119 F151 L155E110-C116 CarbonylContact O-C 3.49Å; E110-C116 WeakPolarHBondContact O-CA 3.39Å; E110-Y117 PolarHBondContact N-O 2.89Å; E110-Y117 PolarHBondContact O-N 3.47Å; E110-F119 HydrophobicContact CG-CD2 4.27Å; E110-F119 HydrophobicContact CG-CE2 4.35Å; E110-F151 HydrophobicContact CB-CZ 3.84Å; E110-L155 HydrophobicContact CB-CD1 4.33Å; E110-L155 HydrophobicContact CG-CD1 4.12Å
111T89.7Confident84.2Confident65 Ų6562.9 Ų62.940%0.39937%0.369SS..EExtended strand (participates in β ladder)trans-91131.3177.6-50.20000110.8C105C105-T111 WeakPolarHBondContact CB-OG1 3.21Å; C105-T111 PolarHBondContact SG-OG1 2.88Å
112F90.7Very high86.2Confident59 Ų5962.4 Ų62.426%0.25937%0.366SS..EExtended strand (participates in β ladder)trans-147126.8168.1-178.4-101.7000111.2S114 S115 Y117 E147 E148 F151F112-S114 PolarHBondContact O-N 3.47Å; F112-S115 PolarHBondContact N-O 3.36Å; F112-S115 PolarHBondContact O-N 3.28Å; F112-Y117 HydrophobicContact CB-CD2 4.05Å; F112-Y117 HydrophobicContact CB-CE2 3.68Å; F112-Y117 HydrophobicContact CD1-CE2 4.38Å; F112-E147 HydrophobicContact CE1-CB 4.32Å; F112-E147 HydrophobicContact CZ-CB 3.82Å; F112-E147 WeakPolarHBondContact CZ-O 3.18Å; F112-E148 HydrophobicContact CD1-CG 4.21Å; F112-E148 HydrophobicContact CE1-CB 4.44Å; F112-E148 HydrophobicContact CE1-CG 3.92Å; F112-F151 HydrophobicContact CB-CD1 3.68Å; F112-F151 HydrophobicContact CB-CD2 3.71Å; F112-F151 HydrophobicContact CB-CE1 3.61Å; F112-F151 HydrophobicContact CB-CE2 3.64Å; F112-F151 HydrophobicContact CB-CG 3.74Å; F112-F151 HydrophobicContact CB-CZ 3.59Å; F112-F151 HydrophobicContact CD1-CB 3.96Å; F112-F151 HydrophobicContact CD1-CD1 4.02Å; F112-F151 AromaticContact CD1-CG 3.91Å; F112-F151 HydrophobicContact CD1-CG 3.91Å; F112-F151 HydrophobicContact CD2-CB 3.8Å; F112-F151 HydrophobicContact CD2-CD1 4.36Å; F112-F151 AromaticContact CD2-CD2 3.44Å; F112-F151 HydrophobicContact CD2-CD2 3.44Å; F112-F151 VanDerWaalsContact CD2-CD2 3.44Å; F112-F151 HydrophobicContact CD2-CE2 4.11Å; F112-F151 AromaticContact CD2-CG 3.6Å; F112-F151 HydrophobicContact CD2-CG 3.6Å; F112-F151 HydrophobicContact CE1-CB 4Å; F112-F151 HydrophobicContact CE1-CG 4.45Å; F112-F151 HydrophobicContact CE2-CB 3.84Å; F112-F151 HydrophobicContact CE2-CD2 4.2Å; F112-F151 HydrophobicContact CE2-CG 4.18Å; F112-F151 HydrophobicContact CG-CB 3.86Å; F112-F151 AromaticContact CG-CD1 3.75Å; F112-F151 HydrophobicContact CG-CD1 3.75Å; F112-F151 AromaticContact CG-CD2 3.64Å; F112-F151 HydrophobicContact CG-CD2 3.64Å; F112-F151 HydrophobicContact CG-CE1 4.22Å; F112-F151 HydrophobicContact CG-CE2 4.11Å; F112-F151 AromaticContact CG-CG 3.45Å; F112-F151 HydrophobicContact CG-CG 3.45Å; F112-F151 VanDerWaalsContact CG-CG 3.45Å; F112-F151 HydrophobicContact CG-CZ 4.38Å; F112-F151 HydrophobicContact CZ-CB 3.94Å
113G87.6Confident88.6Confident39 Ų3957 Ų5740%0.40234%0.343SS..THydrogen-bonded Turntrans61.6-124.6-170.900000110.8R50R50-G113 PolarHBondContact NH1-O 3.42Å
114S86.4Confident90.8Very high112 Ų11256.7 Ų56.778%0.78333%0.332SS*.THydrogen-bonded Turntrans-102.56.9173.856.80000113.2F112F112-S114 PolarHBondContact O-N 3.47Å
115S91.1Very high92.1Very high20 Ų2054.4 Ų54.414%0.1432%0.317CS..EExtended strand (participates in β ladder)trans-112.6160-174.2-71.90000112.5F112 R232F112-S115 PolarHBondContact N-O 3.36Å; F112-S115 PolarHBondContact O-N 3.28Å; S115-R232 CarbonylContact C-O 3.46Å; S115-R232 WeakPolarHBondContact CA-O 2.94Å; S115-R232 WeakPolarHBondContact CB-O 3.3Å; S115-R232 PolarHBondContact OG-O 3.07Å
116C94.3Very high92.8Very high13 Ų1353.7 Ų53.79%0.08831%0.311CS..EExtended strand (participates in β ladder)trans-116.5138.5175.4-57.10000110.9C105 W109 E110 Q231 R232C105-C116 WeakPolarHBondContact CA-SG 3.22Å; C105-C116 HydrophobicContact CB-CB 3.69Å; C105-C116 WeakPolarHBondContact CB-SG 3.3Å; C105-C116 WeakPolarHBondContact SG-CA 3.41Å; C105-C116 WeakPolarHBondContact SG-CB 3.28Å; C105-C116 CovalentContact SG-SG 2.02Å; C105-C116 PolarHBondContact SG-SG 3.04Å; W109-C116 HydrophobicContact CB-CB 4.21Å; W109-C116 HydrophobicContact CE3-CB 3.93Å; E110-C116 CarbonylContact O-C 3.49Å; E110-C116 WeakPolarHBondContact O-CA 3.39Å; C116-Q231 VanDerWaalsContact O-CA 3.3Å; C116-Q231 WeakPolarHBondContact O-CA 3.25Å; C116-R232 HydrophobicContact CB-CG 3.62Å; C116-R232 PolarHBondContact N-O 3.1Å; C116-R232 PolarHBondContact O-N 3.27Å
117Y97.7Very high93.5Very high1 Ų153.8 Ų53.80%0.00431%0.307CS..EExtended strand (participates in β ladder)trans-124.8127.5-173.7-60.5-101000111.7W109 E110 F112 V141 E148 F151 V152 C230 Q231W109-Y117 CarbonylContact C-O 3.5Å; W109-Y117 VanDerWaalsContact CA-O 3.3Å; W109-Y117 WeakPolarHBondContact CA-O 3.28Å; W109-Y117 VanDerWaalsContact CE3-C 3.47Å; E110-Y117 PolarHBondContact N-O 2.89Å; E110-Y117 PolarHBondContact O-N 3.47Å; F112-Y117 HydrophobicContact CB-CD2 4.05Å; F112-Y117 HydrophobicContact CB-CE2 3.68Å; F112-Y117 HydrophobicContact CD1-CE2 4.38Å; Y117-V141 HydrophobicContact CD1-CG2 3.9Å; Y117-V141 HydrophobicContact CE1-CG2 3.71Å; Y117-E148 PolarHBondContact OH-OE1 3.37Å; Y117-F151 HydrophobicContact CD1-CE1 4.09Å; Y117-F151 HydrophobicContact CD2-CD1 4.36Å; Y117-F151 AromaticContact CD2-CE1 3.54Å; Y117-F151 HydrophobicContact CD2-CE1 3.54Å; Y117-F151 HydrophobicContact CD2-CZ 4.16Å; Y117-F151 HydrophobicContact CE1-CE1 4.48Å; Y117-F151 HydrophobicContact CE2-CD1 4.44Å; Y117-F151 HydrophobicContact CE2-CE1 4.03Å; Y117-F151 HydrophobicContact CG-CD1 4.45Å; Y117-F151 AromaticContact CG-CE1 3.59Å; Y117-F151 HydrophobicContact CG-CE1 3.59Å; Y117-F151 HydrophobicContact CG-CZ 4.41Å; Y117-V152 HydrophobicContact CD1-CG2 4.22Å; Y117-V152 HydrophobicContact CE1-CG2 4.25Å; Y117-C230 CarbonylContact C-O 3.47Å; Y117-C230 VanDerWaalsContact CA-O 3.26Å; Y117-C230 WeakPolarHBondContact CA-O 3.38Å; Y117-Q231 HydrophobicContact CD1-CB 4.25Å; Y117-Q231 HydrophobicContact CD1-CG 4.27Å; Y117-Q231 HydrophobicContact CE1-CB 4.23Å; Y117-Q231 HydrophobicContact CE1-CG 3.84Å; Y117-Q231 PolarHBondContact OH-NE2 2.84Å
118L97.9Very high94.4Very high23 Ų2351.9 Ų51.912%0.1230%0.295CS..EExtended strand (participates in β ladder)trans-105.2121.8173-179.970000110G108 W109 W132 I229 C230G108-L118 WeakPolarHBondContact O-CD1 3.49Å; W109-L118 HydrophobicContact CD2-CB 3.57Å; W109-L118 HydrophobicContact CD2-CD1 4.5Å; W109-L118 HydrophobicContact CE3-CB 3.68Å; W109-L118 VanDerWaalsContact CE3-N 3.31Å; W109-L118 HydrophobicContact CG-CB 4.24Å; W109-L118 HydrophobicContact CG-CD1 4.45Å; W109-L118 HydrophobicContact CH2-CB 3.79Å; W109-L118 HydrophobicContact CZ2-CB 3.7Å; W109-L118 HydrophobicContact CZ2-CD2 3.89Å; W109-L118 HydrophobicContact CZ2-CG 4.34Å; W109-L118 HydrophobicContact CZ3-CB 3.78Å; L118-W132 HydrophobicContact CD2-CE3 4.45Å; L118-W132 HydrophobicContact CD2-CH2 3.24Å; L118-W132 HydrophobicContact CD2-CZ2 4.4Å; L118-W132 HydrophobicContact CD2-CZ3 3.28Å; L118-I229 WeakPolarHBondContact O-CA 3.36Å; L118-C230 HydrophobicContact CB-CB 4.18Å; L118-C230 PolarHBondContact N-O 3.23Å; L118-C230 PolarHBondContact O-N 3.18Å
119F98.1Very high95.1Very high34 Ų3449 Ų4915%0.14927%0.265CS..EExtended strand (participates in β ladder)trans-95.5105.7169.3-65.5-99.6000108.7E110 F151 V152 L155 S156 Y161 I229E110-F119 HydrophobicContact CG-CD2 4.27Å; E110-F119 HydrophobicContact CG-CE2 4.35Å; F119-F151 HydrophobicContact CE2-CE1 4.38Å; F119-F151 HydrophobicContact CZ-CE1 4.45Å; F119-V152 HydrophobicContact CZ-CG2 4.45Å; F119-L155 HydrophobicContact CD1-CB 4.28Å; F119-L155 HydrophobicContact CD2-CD1 4.34Å; F119-L155 HydrophobicContact CE1-CB 3.67Å; F119-L155 HydrophobicContact CE2-CB 3.99Å; F119-L155 HydrophobicContact CE2-CD1 3.54Å; F119-L155 HydrophobicContact CE2-CG 4.44Å; F119-L155 HydrophobicContact CZ-CB 3.52Å; F119-L155 HydrophobicContact CZ-CD1 3.74Å; F119-L155 HydrophobicContact CZ-CG 4.28Å; F119-S156 WeakPolarHBondContact CE1-OG 3.16Å; F119-Y161 HydrophobicContact CB-CE1 4.18Å; F119-Y161 HydrophobicContact CD1-CE1 4.29Å; F119-I229 HydrophobicContact CD1-CD1 3.82Å; F119-I229 HydrophobicContact CD1-CG1 3.7Å; F119-I229 HydrophobicContact CE1-CD1 3.52Å; F119-I229 HydrophobicContact CE1-CG1 3.86Å; F119-I229 HydrophobicContact CE1-CG2 4.28Å; F119-I229 HydrophobicContact CG-CG1 4.42Å; F119-I229 HydrophobicContact CZ-CD1 4.4Å; F119-I229 HydrophobicContact CZ-CG2 4.31Å
120S97.8Very high95.4Very high7 Ų751.3 Ų51.35%0.04927%0.274CS..  trans-67150.1-173.782.70000112.1S122 R227 Y228S120-S122 PolarHBondContact OG-O 3.31Å; S120-R227 VanDerWaalsContact O-CD 3.3Å; S120-R227 WeakPolarHBondContact O-CD 3.1Å; S120-R227 WeakPolarHBondContact OG-CA 3.39Å; S120-Y228 VanDerWaalsContact CB-CE1 3.46Å; S120-Y228 VanDerWaalsContact CB-CZ 3.46Å; S120-Y228 WeakPolarHBondContact CB-O 3.35Å; S120-Y228 PolarHBondContact N-O 3.35Å; S120-Y228 WeakPolarHBondContact OG-CD1 3.02Å; S120-Y228 WeakPolarHBondContact OG-CE1 3.26Å; S120-Y228 PolarHBondContact OG-N 2.91Å; S120-Y228 PolarHBondContact OG-O 3.48Å
121R95.8Very high95.8Very high231 Ų23150.6 Ų50.687%0.87227%0.273SS*.SBendtrans-92.5-30.9172.7-64.9-177.6-178.3178.40.9112.1R227R121-R227 PolarHBondContact O-NE 3.35Å
122S95.6Very high96.2Very high65 Ų6551.5 Ų51.546%0.45527%0.27SS..SBendtrans-85.8154.5179.746.90000112.2S120S120-S122 PolarHBondContact OG-O 3.31Å
123A98.4Very high96.5Very high42 Ų4248.7 Ų48.735%0.34726%0.257SS..  trans-105.7131.4177.900000112.1R225 L226A123-R225 HydrophobicContact CB-CB 4.13Å; A123-R225 PolarHBondContact O-NE 2.9Å; A123-R225 PolarHBondContact O-NH2 2.84Å; A123-R225 VanDerWaalsContact O-NH2 3.09Å; A123-L226 CarbonylContact C-O 3.55Å; A123-L226 WeakPolarHBondContact CA-O 3.3Å
124L98.7Very high97Very high31 Ų3150.9 Ų50.916%0.16226%0.26CS..BIsolated β-bridgetrans-131.8158.8-179.5-67.6-177000110E128 A129 W132 W162 R225 L226 Y228L124-E128 HydrophobicContact CB-CB 3.81Å; L124-E128 HydrophobicContact CD1-CB 4.23Å; L124-E128 HydrophobicContact CD2-CB 4.28Å; L124-E128 HydrophobicContact CG-CB 4.32Å; L124-A129 HydrophobicContact CB-CB 4.14Å; L124-W132 HydrophobicContact CD1-CB 4.03Å; L124-W132 HydrophobicContact CD1-CG 4.29Å; L124-W162 PolarHBondContact O-NE1 3.34Å; L124-R225 VanDerWaalsContact CD2-NH2 3.3Å; L124-R225 WeakPolarHBondContact O-CA 3.39Å; L124-L226 PolarHBondContact N-O 3.22Å; L124-L226 PolarHBondContact O-N 3.3Å; L124-Y228 HydrophobicContact CB-CD1 4.14Å; L124-Y228 HydrophobicContact CB-CE1 4.06Å; L124-Y228 HydrophobicContact CD1-CD1 4.24Å; L124-Y228 HydrophobicContact CD1-CE1 3.47Å; L124-Y228 VanDerWaalsContact CD1-CE1 3.47Å; L124-Y228 HydrophobicContact CG-CD1 4.27Å; L124-Y228 HydrophobicContact CG-CE1 3.67Å
125S98.8Very high97.5Very high16 Ų1648.5 Ų48.511%0.11225%0.253CS..  trans-62.6163.6163.772.80000110.3H127 E128 A129 C222 T224S125-H127 VanDerWaalsContact C-N 3.31Å; S125-H127 PolarHBondContact O-N 3.47Å; S125-E128 PolarHBondContact N-OE2 2.98Å; S125-E128 PolarHBondContact O-N 3.19Å; S125-E128 WeakPolarHBondContact OG-CB 3.2Å; S125-E128 WeakPolarHBondContact OG-CG 3.2Å; S125-E128 PolarHBondContact OG-N 3.44Å; S125-A129 VanDerWaalsContact O-CB 3.32Å; S125-A129 WeakPolarHBondContact O-CB 3.21Å; S125-A129 PolarHBondContact O-N 2.72Å; S125-C222 WeakPolarHBondContact CB-O 3.31Å; S125-T224 WeakPolarHBondContact CA-O 3.42Å
126W98.8Very high97.6Very high5 Ų551.8 Ų51.82%0.01927%0.266CS..Hα-helixtrans-59.6-44-179.5-172.795.8000111.7A129 R130 L140 W162 V163 T166 V176 C208 C222W126-A129 PolarHBondContact O-N 2.9Å; W126-R130 HydrophobicContact CZ3-CB 4.34Å; W126-R130 WeakPolarHBondContact O-CB 3.08Å; W126-R130 PolarHBondContact O-N 3.03Å; W126-L140 HydrophobicContact CD2-CD1 4.13Å; W126-L140 HydrophobicContact CG-CD1 4.48Å; W126-L140 HydrophobicContact CZ2-CD1 3.9Å; W126-W162 HydrophobicContact CB-CD2 4.15Å; W126-W162 HydrophobicContact CB-CG 4.41Å; W126-W162 HydrophobicContact CB-CZ2 4.42Å; W126-W162 AromaticContact CD1-CD2 3.84Å; W126-W162 AromaticContact CD1-CE3 3.75Å; W126-W162 AromaticContact CD1-CG 3.98Å; W126-W162 HydrophobicContact CG-CD2 4.42Å; W126-V163 PolarHBondContact NE1-O 2.9Å; W126-T166 HydrophobicContact CH2-CG2 3.62Å; W126-T166 HydrophobicContact CZ2-CG2 3.8Å; W126-T166 HydrophobicContact CZ3-CG2 4.42Å; W126-V176 HydrophobicContact CH2-CG1 3.67Å; W126-V176 HydrophobicContact CZ2-CG1 3.63Å; W126-C208 HydrophobicContact CB-CB 3.92Å; W126-C208 VanDerWaalsContact CB-SG 3.53Å; W126-C208 HydrophobicContact CD2-CB 4.36Å; W126-C208 VanDerWaalsContact CD2-SG 3.54Å; W126-C208 HydrophobicContact CG-CB 3.7Å; W126-C222 HydrophobicContact CB-CB 4.26Å; W126-C222 PolarHBondContact N-O 3.1Å
127H98.6Very high97.6Very high54 Ų5459.7 Ų59.725%0.2530%0.302CS..Hα-helixtrans-65.7-43.1177.6-53.891.1000112.6S125 A129 R130 D131 E168S125-H127 VanDerWaalsContact C-N 3.31Å; S125-H127 PolarHBondContact O-N 3.47Å; H127-A129 VanDerWaalsContact C-N 3.3Å; H127-A129 PolarHBondContact O-N 2.94Å; H127-R130 WeakPolarHBondContact O-CB 3.42Å; H127-R130 PolarHBondContact O-N 2.9Å; H127-D131 VanDerWaalsContact O-CG 3.26Å; H127-D131 PolarHBondContact O-N 2.93Å; H127-E168 IonicContact CD2-OE2 3.82Å; H127-E168 IonicContact CE1-OE1 3.63Å; H127-E168 PolarHBondContact CE1-OE1 2.68Å; H127-E168 IonicContact CE1-OE2 2.96Å; H127-E168 VanDerWaalsContact NE2-CD 3.29Å; H127-E168 IonicContact NE2-OE1 2.96Å; H127-E168 PolarHBondContact NE2-OE1 3.49Å; H127-E168 IonicContact NE2-OE2 2.84Å; H127-E168 PolarHBondContact NE2-OE2 3.32Å
128E98.8Very high97.5Very high81 Ų8160.1 Ų60.138%0.37931%0.305SS..Hα-helixtrans-60.6-40.9174.8-76.2173.1166.100111.2L124 S125 D131 W132 R225L124-E128 HydrophobicContact CB-CB 3.81Å; L124-E128 HydrophobicContact CD1-CB 4.23Å; L124-E128 HydrophobicContact CD2-CB 4.28Å; L124-E128 HydrophobicContact CG-CB 4.32Å; S125-E128 PolarHBondContact N-OE2 2.98Å; S125-E128 PolarHBondContact O-N 3.19Å; S125-E128 WeakPolarHBondContact OG-CB 3.2Å; S125-E128 WeakPolarHBondContact OG-CG 3.2Å; S125-E128 PolarHBondContact OG-N 3.44Å; E128-D131 PolarHBondContact O-N 3.47Å; E128-W132 VanDerWaalsContact O-CB 3.31Å; E128-W132 WeakPolarHBondContact O-CB 3.46Å; E128-W132 PolarHBondContact O-N 3.41Å; E128-R225 IonicContact OE1-NH1 3.11Å; E128-R225 PolarHBondContact OE1-NH1 3.48Å; E128-R225 IonicContact OE1-NH2 2.7Å; E128-R225 IonicContact OE2-CZ 3.78Å; E128-R225 IonicContact OE2-NH1 3.1Å; E128-R225 PolarHBondContact OE2-NH1 2.95Å; E128-R225 IonicContact OE2-NH2 3.32Å; E128-R225 PolarHBondContact OE2-NH2 2.99Å
129A98.9Very high97.6Very high0 Ų061.8 Ų61.80%031%0.312CS..Hα-helixtrans-66.8-43.5177.700000112.2L124 S125 W126 H127 D131 W132 C133 L140 Y228L124-A129 HydrophobicContact CB-CB 4.14Å; S125-A129 VanDerWaalsContact O-CB 3.32Å; S125-A129 WeakPolarHBondContact O-CB 3.21Å; S125-A129 PolarHBondContact O-N 2.72Å; W126-A129 PolarHBondContact O-N 2.9Å; H127-A129 VanDerWaalsContact C-N 3.3Å; H127-A129 PolarHBondContact O-N 2.94Å; A129-D131 PolarHBondContact O-N 3.36Å; A129-W132 PolarHBondContact O-N 3.22Å; A129-C133 PolarHBondContact O-N 3.26Å; A129-C133 PolarHBondContact O-SG 3.17Å; A129-L140 HydrophobicContact CB-CD2 4.06Å; A129-Y228 HydrophobicContact CB-CD1 3.8Å; A129-Y228 HydrophobicContact CB-CD2 4.02Å; A129-Y228 HydrophobicContact CB-CG 3.53Å
130R98.8Very high97.6Very high79 Ų7960.1 Ų60.130%0.29831%0.305SS..Hα-helixtrans-55.5-51.3173-177.4-159.468.2-165.9-3.3111W126 H127 W132 C133 N134 L140 V176W126-R130 HydrophobicContact CZ3-CB 4.34Å; W126-R130 WeakPolarHBondContact O-CB 3.08Å; W126-R130 PolarHBondContact O-N 3.03Å; H127-R130 WeakPolarHBondContact O-CB 3.42Å; H127-R130 PolarHBondContact O-N 2.9Å; R130-W132 VanDerWaalsContact C-N 3.3Å; R130-W132 PolarHBondContact O-N 2.89Å; R130-C133 PolarHBondContact O-N 3.17Å; R130-N134 WeakPolarHBondContact O-CB 3.48Å; R130-N134 PolarHBondContact O-N 3.45Å; R130-N134 PolarHBondContact O-ND2 3.05Å; R130-L140 HydrophobicContact CB-CD1 3.79Å; R130-L140 HydrophobicContact CB-CG 4.37Å; R130-L140 HydrophobicContact CG-CD1 4.49Å; R130-V176 HydrophobicContact CG-CG1 4.48Å
131D98.7Very high97.7Very high85 Ų8559.8 Ų59.846%0.45530%0.302SS..Hα-helixtrans-66.5-35.9-177.6-66.4-10.1000111.3H127 E128 A129 N134 G135H127-D131 VanDerWaalsContact O-CG 3.26Å; H127-D131 PolarHBondContact O-N 2.93Å; E128-D131 PolarHBondContact O-N 3.47Å; A129-D131 PolarHBondContact O-N 3.36Å; D131-N134 PolarHBondContact O-N 3.3Å; D131-G135 PolarHBondContact O-N 3.04Å
132W98.5Very high97.8Very high84 Ų8449.1 Ų49.132%0.31826%0.263SS..Hα-helixtrans-62.4-48.5173.1-168.698.3000111.9L118 L124 E128 A129 R130 N134 G135 H136 Y228L118-W132 HydrophobicContact CD2-CE3 4.45Å; L118-W132 HydrophobicContact CD2-CH2 3.24Å; L118-W132 HydrophobicContact CD2-CZ2 4.4Å; L118-W132 HydrophobicContact CD2-CZ3 3.28Å; L124-W132 HydrophobicContact CD1-CB 4.03Å; L124-W132 HydrophobicContact CD1-CG 4.29Å; E128-W132 VanDerWaalsContact O-CB 3.31Å; E128-W132 WeakPolarHBondContact O-CB 3.46Å; E128-W132 PolarHBondContact O-N 3.41Å; A129-W132 PolarHBondContact O-N 3.22Å; R130-W132 VanDerWaalsContact C-N 3.3Å; R130-W132 PolarHBondContact O-N 2.89Å; W132-N134 VanDerWaalsContact C-N 3.35Å; W132-N134 PolarHBondContact O-N 2.7Å; W132-G135 PolarHBondContact O-N 3.11Å; W132-H136 AromaticContact CD2-CE1 3.71Å; W132-H136 AromaticContact CD2-ND1 3.6Å; W132-H136 AromaticContact CE2-CE1 3.25Å; W132-H136 AromaticContact CE2-ND1 3.62Å; W132-H136 AromaticContact CE2-NE2 3.87Å; W132-H136 AromaticContact CE3-ND1 3.72Å; W132-H136 AromaticContact CH2-CD2 3.89Å; W132-H136 AromaticContact CH2-CE1 3.87Å; W132-H136 AromaticContact CH2-CG 3.86Å; W132-H136 AromaticContact CH2-ND1 3.83Å; W132-H136 AromaticContact CH2-NE2 3.9Å; W132-H136 AromaticContact CZ2-CD2 4Å; W132-H136 AromaticContact CZ2-CE1 3.37Å; W132-H136 WeakPolarHBondContact CZ2-CE1 3.49Å; W132-H136 AromaticContact CZ2-ND1 3.76Å; W132-H136 AromaticContact CZ2-NE2 3.5Å; W132-H136 WeakPolarHBondContact CZ2-NE2 3.19Å; W132-H136 HydrophobicContact CZ3-CB 4.27Å; W132-H136 AromaticContact CZ3-CG 3.92Å; W132-H136 AromaticContact CZ3-ND1 3.81Å; W132-H136 AromaticContact NE1-CE1 3.53Å; W132-H136 PolarHBondContact O-N 2.96Å; W132-H136 PolarHBondContact O-ND1 2.89Å; W132-Y228 AromaticContact CD2-CE2 3.95Å; W132-Y228 HydrophobicContact CD2-CE2 3.95Å; W132-Y228 VanDerWaalsContact CD2-OH 3.28Å; W132-Y228 AromaticContact CE3-CE2 3.57Å; W132-Y228 HydrophobicContact CE3-CE2 3.57Å; W132-Y228 HydrophobicContact CG-CE2 4.37Å; W132-Y228 HydrophobicContact CZ3-CE2 4.16Å
133C98.4Very high97.9Very high0 Ų046.3 Ų46.30%024%0.242CC..Hα-helixtrans-60.7-46177.9-62.70000110.7A129 R130 G135 H136 S138 C230A129-C133 PolarHBondContact O-N 3.26Å; A129-C133 PolarHBondContact O-SG 3.17Å; R130-C133 PolarHBondContact O-N 3.17Å; C133-G135 VanDerWaalsContact C-N 3.29Å; C133-G135 PolarHBondContact O-N 2.93Å; C133-H136 CarbonylContact O-C 3.44Å; C133-H136 WeakPolarHBondContact O-CA 3.24Å; C133-H136 PolarHBondContact O-N 2.9Å; C133-S138 CarbonylContact C-O 3.58Å; C133-S138 VanDerWaalsContact C-OG 3.25Å; C133-S138 WeakPolarHBondContact CA-OG 3.32Å; C133-S138 WeakPolarHBondContact CB-OG 3.41Å; C133-S138 CarbonylContact O-C 3.6Å; C133-S138 PolarHBondContact O-N 3.43Å; C133-S138 VanDerWaalsContact O-N 3.1Å; C133-S138 PolarHBondContact O-OG 3.09Å; C133-C230 VanDerWaalsContact CA-SG 3.55Å; C133-C230 HydrophobicContact CB-CB 3.79Å; C133-C230 WeakPolarHBondContact CB-SG 3.38Å; C133-C230 VanDerWaalsContact SG-CA 3.56Å; C133-C230 WeakPolarHBondContact SG-CB 3.46Å; C133-C230 CovalentContact SG-SG 2.04Å; C133-C230 PolarHBondContact SG-SG 3.14Å
134N97.7Very high97.7Very high85 Ų8549.9 Ų49.946%0.45525%0.253SS..Hα-helixtrans-58.7-40.5177.7-69.4-15.1000112.2R130 D131 W132 H136 E137 S138R130-N134 WeakPolarHBondContact O-CB 3.48Å; R130-N134 PolarHBondContact O-N 3.45Å; R130-N134 PolarHBondContact O-ND2 3.05Å; D131-N134 PolarHBondContact O-N 3.3Å; W132-N134 VanDerWaalsContact C-N 3.35Å; W132-N134 PolarHBondContact O-N 2.7Å; N134-H136 PolarHBondContact O-N 2.99Å; N134-E137 PolarHBondContact O-N 3.17Å; N134-S138 WeakPolarHBondContact CA-O 3.37Å; N134-S138 PolarHBondContact N-O 2.67Å; N134-S138 PolarHBondContact OD1-O 3.37Å
135G96.1Very high97.5Very high63 Ų6350.3 Ų50.365%0.64926%0.259SS*.THydrogen-bonded Turntrans-66.4-11.5175.500000114.8D131 W132 C133D131-G135 PolarHBondContact O-N 3.04Å; W132-G135 PolarHBondContact O-N 3.11Å; C133-G135 VanDerWaalsContact C-N 3.29Å; C133-G135 PolarHBondContact O-N 2.93Å
136H93.3Very high97.4Very high88 Ų8854.1 Ų54.141%0.40728%0.278SS..THydrogen-bonded Turntrans-11429.5177.4-66.477.4000112.2W132 C133 N134 S138W132-H136 AromaticContact CD2-CE1 3.71Å; W132-H136 AromaticContact CD2-ND1 3.6Å; W132-H136 AromaticContact CE2-CE1 3.25Å; W132-H136 AromaticContact CE2-ND1 3.62Å; W132-H136 AromaticContact CE2-NE2 3.87Å; W132-H136 AromaticContact CE3-ND1 3.72Å; W132-H136 AromaticContact CH2-CD2 3.89Å; W132-H136 AromaticContact CH2-CE1 3.87Å; W132-H136 AromaticContact CH2-CG 3.86Å; W132-H136 AromaticContact CH2-ND1 3.83Å; W132-H136 AromaticContact CH2-NE2 3.9Å; W132-H136 AromaticContact CZ2-CD2 4Å; W132-H136 AromaticContact CZ2-CE1 3.37Å; W132-H136 WeakPolarHBondContact CZ2-CE1 3.49Å; W132-H136 AromaticContact CZ2-ND1 3.76Å; W132-H136 AromaticContact CZ2-NE2 3.5Å; W132-H136 WeakPolarHBondContact CZ2-NE2 3.19Å; W132-H136 HydrophobicContact CZ3-CB 4.27Å; W132-H136 AromaticContact CZ3-CG 3.92Å; W132-H136 AromaticContact CZ3-ND1 3.81Å; W132-H136 AromaticContact NE1-CE1 3.53Å; W132-H136 PolarHBondContact O-N 2.96Å; W132-H136 PolarHBondContact O-ND1 2.89Å; C133-H136 CarbonylContact O-C 3.44Å; C133-H136 WeakPolarHBondContact O-CA 3.24Å; C133-H136 PolarHBondContact O-N 2.9Å; N134-H136 PolarHBondContact O-N 2.99Å; H136-S138 PolarHBondContact O-N 3.23Å
137E93.8Very high97.3Very high180 Ų18059.7 Ų59.784%0.84130%0.304SS*.THydrogen-bonded Turntrans5439.6178.3-59.4175.4-156.400112.1N134N134-E137 PolarHBondContact O-N 3.17Å
138S97Very high97.2Very high10 Ų1058.4 Ų58.47%0.0730%0.298CS..  trans-143.3179.3-17870.70000109.5C133 N134 H136 Q231C133-S138 CarbonylContact C-O 3.58Å; C133-S138 VanDerWaalsContact C-OG 3.25Å; C133-S138 WeakPolarHBondContact CA-OG 3.32Å; C133-S138 WeakPolarHBondContact CB-OG 3.41Å; C133-S138 CarbonylContact O-C 3.6Å; C133-S138 PolarHBondContact O-N 3.43Å; C133-S138 VanDerWaalsContact O-N 3.1Å; C133-S138 PolarHBondContact O-OG 3.09Å; N134-S138 WeakPolarHBondContact CA-O 3.37Å; N134-S138 PolarHBondContact N-O 2.67Å; N134-S138 PolarHBondContact OD1-O 3.37Å; H136-S138 PolarHBondContact O-N 3.23Å; S138-Q231 CarbonylContact C-O 3.54Å; S138-Q231 WeakPolarHBondContact CA-O 3.45Å; S138-Q231 VanDerWaalsContact CB-O 3.27Å; S138-Q231 WeakPolarHBondContact CB-O 3.32Å
139H98.7Very high97.2Very high57 Ų5755 Ų5526%0.26428%0.282SS..EExtended strand (participates in β ladder)trans-135.2164.3172.55579.3000110V141 V176 C230 Q231H139-V141 PolarHBondContact O-N 3.3Å; H139-V176 HydrophobicContact CB-CG2 4.09Å; H139-C230 CarbonylContact O-C 3.52Å; H139-C230 VanDerWaalsContact O-CA 3.22Å; H139-C230 WeakPolarHBondContact O-CA 3.42Å; H139-Q231 PolarHBondContact CE1-OE1 3.32Å; H139-Q231 PolarHBondContact N-O 3.31Å; H139-Q231 PolarHBondContact O-N 3.02Å
140L98.8Very high97.1Very high0 Ų059.4 Ų59.40%031%0.305CS..EExtended strand (participates in β ladder)trans-56.3139.8167-79.1170.8000109.4W126 A129 R130 W162 V176 I229W126-L140 HydrophobicContact CD2-CD1 4.13Å; W126-L140 HydrophobicContact CG-CD1 4.48Å; W126-L140 HydrophobicContact CZ2-CD1 3.9Å; A129-L140 HydrophobicContact CB-CD2 4.06Å; R130-L140 HydrophobicContact CB-CD1 3.79Å; R130-L140 HydrophobicContact CB-CG 4.37Å; R130-L140 HydrophobicContact CG-CD1 4.49Å; L140-W162 HydrophobicContact CD2-CB 4.44Å; L140-V176 HydrophobicContact CB-CG1 4.4Å; L140-V176 HydrophobicContact CB-CG2 4.43Å; L140-V176 WeakPolarHBondContact O-CG2 3.07Å; L140-I229 CarbonylContact C-O 3.56Å; L140-I229 WeakPolarHBondContact CA-O 3.19Å
141V98.8Very high97Very high0 Ų056.1 Ų56.10%029%0.293CS..  trans-56.2139-170.167.20000112.8Y117 H139 L143 V152 V163 G164 I229 Q231Y117-V141 HydrophobicContact CD1-CG2 3.9Å; Y117-V141 HydrophobicContact CE1-CG2 3.71Å; H139-V141 PolarHBondContact O-N 3.3Å; V141-L143 HydrophobicContact CG2-CD2 3.79Å; V141-L143 HydrophobicContact CG2-CG 4.41Å; V141-V152 HydrophobicContact CG2-CG2 4.27Å; V141-V163 HydrophobicContact CG1-CB 3.84Å; V141-V163 HydrophobicContact CG1-CG1 3.58Å; V141-G164 WeakPolarHBondContact O-CA 3.5Å; V141-G164 PolarHBondContact O-N 3Å; V141-I229 HydrophobicContact CB-CB 4.12Å; V141-I229 HydrophobicContact CB-CG2 3.81Å; V141-I229 HydrophobicContact CG1-CB 3.7Å; V141-I229 HydrophobicContact CG1-CD1 4.45Å; V141-I229 HydrophobicContact CG1-CG2 3.86Å; V141-I229 HydrophobicContact CG2-CG2 4.32Å; V141-I229 PolarHBondContact N-O 3.32Å; V141-Q231 HydrophobicContact CB-CB 4.2Å; V141-Q231 HydrophobicContact CG2-CB 4.1Å
142I98.5Very high97Very high7 Ų752.1 Ų52.14%0.03627%0.272CS..  trans-117.2127.5177.2-58.7171000107.4M144 W175 V176 N177 Q231I142-M144 HydrophobicContact CG2-CG 3.8Å; I142-M144 HydrophobicContact CG2-SD 3.71Å; I142-W175 HydrophobicContact CB-CD2 4.32Å; I142-W175 HydrophobicContact CB-CE3 4.17Å; I142-W175 HydrophobicContact CD1-CB 4.3Å; I142-W175 HydrophobicContact CG1-CB 4.15Å; I142-W175 HydrophobicContact CG1-CE3 4.2Å; I142-W175 HydrophobicContact CG2-CB 3.94Å; I142-W175 HydrophobicContact CG2-CD2 3.63Å; I142-W175 HydrophobicContact CG2-CE3 3.99Å; I142-W175 HydrophobicContact CG2-CG 3.59Å; I142-V176 HydrophobicContact CD1-CG2 3.88Å; I142-V176 HydrophobicContact CG1-CG2 3.94Å; I142-N177 HydrophobicContact CD1-CB 3.6Å; I142-N177 VanDerWaalsContact CD1-CG 3.41Å; I142-Q231 PolarHBondContact O-OE1 3.32Å; I142-Q231 VanDerWaalsContact O-OE1 3.11Å
143L97.4Very high96.9Very high5 Ų549.4 Ų49.43%0.02627%0.265CS..  trans-110.7100.7-171.8-58.4172.9000110.1V141 E148 W149 V152 W175 I211V141-L143 HydrophobicContact CG2-CD2 3.79Å; V141-L143 HydrophobicContact CG2-CG 4.41Å; L143-E148 HydrophobicContact CD2-CB 4.22Å; L143-W149 HydrophobicContact CB-CD2 3.98Å; L143-W149 VanDerWaalsContact CB-CE2 3.47Å; L143-W149 HydrophobicContact CB-CG 4.27Å; L143-W149 HydrophobicContact CB-CH2 4.45Å; L143-W149 HydrophobicContact CB-CZ2 3.74Å; L143-W149 HydrophobicContact CD1-CD2 3.74Å; L143-W149 HydrophobicContact CD1-CE3 3.61Å; L143-W149 HydrophobicContact CD1-CH2 3.57Å; L143-W149 HydrophobicContact CD1-CZ2 3.73Å; L143-W149 HydrophobicContact CD1-CZ3 3.54Å; L143-W149 HydrophobicContact CG-CD2 4.43Å; L143-W149 HydrophobicContact CG-CZ2 4.37Å; L143-W149 PolarHBondContact O-NE1 2.94Å; L143-V152 HydrophobicContact CD2-CB 4.02Å; L143-V152 HydrophobicContact CD2-CG1 4.37Å; L143-V152 HydrophobicContact CD2-CG2 3.71Å; L143-W175 HydrophobicContact CB-CH2 3.84Å; L143-W175 HydrophobicContact CB-CZ2 4.18Å; L143-W175 HydrophobicContact CD1-CH2 4.46Å; L143-W175 HydrophobicContact CG-CH2 4.19Å; L143-W175 WeakPolarHBondContact O-CZ2 3.49Å; L143-I211 HydrophobicContact CD1-CD1 4.29Å
144M94.4Very high96.8Very high118 Ų11856.9 Ų56.958%0.58129%0.293SS*.  trans-107-18.1-171.3-61.9-59.5-69.700113.7I142 E148 T179I142-M144 HydrophobicContact CG2-CG 3.8Å; I142-M144 HydrophobicContact CG2-SD 3.71Å; M144-E148 PolarHBondContact N-OE2 3.42Å; M144-T179 HydrophobicContact CE-CG2 4.02Å
145S95.6Very high96.6Very high39 Ų3956.1 Ų56.127%0.27329%0.288SS..SBendtrans-128.3152.7-178.161.60000112.2E147 E148 W149S145-E147 WeakPolarHBondContact CB-OE2 3.19Å; S145-E147 PolarHBondContact O-N 2.04Å; S145-E148 PolarHBondContact N-OE2 3.01Å; S145-E148 PolarHBondContact O-N 2.87Å; S145-E148 WeakPolarHBondContact OG-CB 3.35Å; S145-E148 WeakPolarHBondContact OG-CG 3.22Å; S145-E148 PolarHBondContact OG-N 3.11Å; S145-E148 PolarHBondContact OG-OE2 3.21Å; S145-W149 PolarHBondContact O-N 3.39Å; S145-W149 VanDerWaalsContact O-N 3.09Å
146D96.3Very high96.5Very high97 Ų9753.2 Ų53.252%0.51926%0.258SS..Hα-helixtrans-62.3-31.8178.8-75.8-22.6000111.4W149 D150 R187D146-W149 WeakPolarHBondContact O-CB 3.48Å; D146-W149 PolarHBondContact O-N 2.76Å; D146-D150 PolarHBondContact O-N 2.93Å; D146-R187 IonicContact OD1-CZ 3.3Å; D146-R187 IonicContact OD1-NH2 2.92Å; D146-R187 PolarHBondContact OD1-NH2 2.86Å
147E96.8Very high96.4Very high122 Ų12252.2 Ų52.257%0.5727%0.265SS*.Hα-helixtrans-69.9-37.8177.5-58.275.9-169.900112.3F112 S145 D150 F151F112-E147 HydrophobicContact CE1-CB 4.32Å; F112-E147 HydrophobicContact CZ-CB 3.82Å; F112-E147 WeakPolarHBondContact CZ-O 3.18Å; S145-E147 WeakPolarHBondContact CB-OE2 3.19Å; S145-E147 PolarHBondContact O-N 2.04Å; E147-D150 PolarHBondContact O-N 2.8Å; E147-F151 WeakPolarHBondContact O-CB 3.42Å; E147-F151 PolarHBondContact O-N 2.87Å
148E96.8Very high96.2Very high26 Ų2646.5 Ų46.512%0.12125%0.254CS..Hα-helixtrans-64.4-42.4171.4-78.2171.9136.600111.5F112 Y117 L143 M144 S145 D150 F151 V152 Q231F112-E148 HydrophobicContact CD1-CG 4.21Å; F112-E148 HydrophobicContact CE1-CB 4.44Å; F112-E148 HydrophobicContact CE1-CG 3.92Å; Y117-E148 PolarHBondContact OH-OE1 3.37Å; L143-E148 HydrophobicContact CD2-CB 4.22Å; M144-E148 PolarHBondContact N-OE2 3.42Å; S145-E148 PolarHBondContact N-OE2 3.01Å; S145-E148 PolarHBondContact O-N 2.87Å; S145-E148 WeakPolarHBondContact OG-CB 3.35Å; S145-E148 WeakPolarHBondContact OG-CG 3.22Å; S145-E148 PolarHBondContact OG-N 3.11Å; S145-E148 PolarHBondContact OG-OE2 3.21Å; E148-D150 VanDerWaalsContact C-N 3.34Å; E148-D150 PolarHBondContact O-N 2.67Å; E148-F151 PolarHBondContact O-N 3.37Å; E148-V152 WeakPolarHBondContact O-CB 3.38Å; E148-V152 WeakPolarHBondContact O-CG2 3.48Å; E148-V152 PolarHBondContact O-N 3.27Å; E148-Q231 PolarHBondContact OE1-NE2 2.98Å
149W97.4Very high96.2Very high11 Ų1147.2 Ų47.24%0.04226%0.26CS..Hα-helixtrans-57.3-48.2174.3-83.4101.5000111.3L143 S145 D146 V152 T153 W175 R187 I211 L217L143-W149 HydrophobicContact CB-CD2 3.98Å; L143-W149 VanDerWaalsContact CB-CE2 3.47Å; L143-W149 HydrophobicContact CB-CG 4.27Å; L143-W149 HydrophobicContact CB-CH2 4.45Å; L143-W149 HydrophobicContact CB-CZ2 3.74Å; L143-W149 HydrophobicContact CD1-CD2 3.74Å; L143-W149 HydrophobicContact CD1-CE3 3.61Å; L143-W149 HydrophobicContact CD1-CH2 3.57Å; L143-W149 HydrophobicContact CD1-CZ2 3.73Å; L143-W149 HydrophobicContact CD1-CZ3 3.54Å; L143-W149 HydrophobicContact CG-CD2 4.43Å; L143-W149 HydrophobicContact CG-CZ2 4.37Å; L143-W149 PolarHBondContact O-NE1 2.94Å; S145-W149 PolarHBondContact O-N 3.39Å; S145-W149 VanDerWaalsContact O-N 3.09Å; D146-W149 WeakPolarHBondContact O-CB 3.48Å; D146-W149 PolarHBondContact O-N 2.76Å; W149-V152 PolarHBondContact O-N 3.24Å; W149-T153 HydrophobicContact CE3-CG2 4.31Å; W149-T153 WeakPolarHBondContact O-CB 3.11Å; W149-T153 WeakPolarHBondContact O-CG2 3.09Å; W149-T153 PolarHBondContact O-N 3.19Å; W149-T153 PolarHBondContact O-OG1 2.97Å; W149-W175 HydrophobicContact CZ2-CH2 4.34Å; W149-R187 VanDerWaalsContact CB-CZ 3.41Å; W149-R187 VanDerWaalsContact CB-NH1 3.33Å; W149-R187 HydrophobicContact CD2-CG 4.45Å; W149-R187 VanDerWaalsContact CG-CZ 3.41Å; W149-R187 HydrophobicContact CH2-CB 4.21Å; W149-R187 HydrophobicContact CZ2-CB 4.37Å; W149-R187 HydrophobicContact CZ2-CG 4.3Å; W149-R187 HydrophobicContact CZ3-CB 4.42Å; W149-I211 HydrophobicContact CE3-CD1 4.36Å; W149-I211 HydrophobicContact CH2-CD1 4.42Å; W149-I211 HydrophobicContact CZ3-CD1 3.63Å; W149-L217 HydrophobicContact CH2-CD1 3.61Å; W149-L217 HydrophobicContact CH2-CD2 3.91Å; W149-L217 HydrophobicContact CH2-CG 3.63Å; W149-L217 HydrophobicContact CZ2-CD1 4.36Å; W149-L217 HydrophobicContact CZ3-CD2 4.31Å; W149-L217 HydrophobicContact CZ3-CG 4.08Å
150D97.1Very high96.1Very high91 Ų9148.4 Ų48.449%0.48726%0.264SS..Hα-helixtrans-66.5-38.6-179.1-72.8-3.3000112D146 E147 E148 T153 R154D146-D150 PolarHBondContact O-N 2.93Å; E147-D150 PolarHBondContact O-N 2.8Å; E148-D150 VanDerWaalsContact C-N 3.34Å; E148-D150 PolarHBondContact O-N 2.67Å; D150-T153 PolarHBondContact O-OG1 3.2Å; D150-R154 WeakPolarHBondContact O-CB 3.22Å; D150-R154 PolarHBondContact O-N 3.5Å
151F97.1Very high96.1Very high11 Ų1149.4 Ų49.45%0.04827%0.268CS..Hα-helixtrans-61.7-52.4174.1170.6-101.3000111.9E110 F112 Y117 F119 E147 E148 L155E110-F151 HydrophobicContact CB-CZ 3.84Å; F112-F151 HydrophobicContact CB-CD1 3.68Å; F112-F151 HydrophobicContact CB-CD2 3.71Å; F112-F151 HydrophobicContact CB-CE1 3.61Å; F112-F151 HydrophobicContact CB-CE2 3.64Å; F112-F151 HydrophobicContact CB-CG 3.74Å; F112-F151 HydrophobicContact CB-CZ 3.59Å; F112-F151 HydrophobicContact CD1-CB 3.96Å; F112-F151 HydrophobicContact CD1-CD1 4.02Å; F112-F151 AromaticContact CD1-CG 3.91Å; F112-F151 HydrophobicContact CD1-CG 3.91Å; F112-F151 HydrophobicContact CD2-CB 3.8Å; F112-F151 HydrophobicContact CD2-CD1 4.36Å; F112-F151 AromaticContact CD2-CD2 3.44Å; F112-F151 HydrophobicContact CD2-CD2 3.44Å; F112-F151 VanDerWaalsContact CD2-CD2 3.44Å; F112-F151 HydrophobicContact CD2-CE2 4.11Å; F112-F151 AromaticContact CD2-CG 3.6Å; F112-F151 HydrophobicContact CD2-CG 3.6Å; F112-F151 HydrophobicContact CE1-CB 4Å; F112-F151 HydrophobicContact CE1-CG 4.45Å; F112-F151 HydrophobicContact CE2-CB 3.84Å; F112-F151 HydrophobicContact CE2-CD2 4.2Å; F112-F151 HydrophobicContact CE2-CG 4.18Å; F112-F151 HydrophobicContact CG-CB 3.86Å; F112-F151 AromaticContact CG-CD1 3.75Å; F112-F151 HydrophobicContact CG-CD1 3.75Å; F112-F151 AromaticContact CG-CD2 3.64Å; F112-F151 HydrophobicContact CG-CD2 3.64Å; F112-F151 HydrophobicContact CG-CE1 4.22Å; F112-F151 HydrophobicContact CG-CE2 4.11Å; F112-F151 AromaticContact CG-CG 3.45Å; F112-F151 HydrophobicContact CG-CG 3.45Å; F112-F151 VanDerWaalsContact CG-CG 3.45Å; F112-F151 HydrophobicContact CG-CZ 4.38Å; F112-F151 HydrophobicContact CZ-CB 3.94Å; Y117-F151 HydrophobicContact CD1-CE1 4.09Å; Y117-F151 HydrophobicContact CD2-CD1 4.36Å; Y117-F151 AromaticContact CD2-CE1 3.54Å; Y117-F151 HydrophobicContact CD2-CE1 3.54Å; Y117-F151 HydrophobicContact CD2-CZ 4.16Å; Y117-F151 HydrophobicContact CE1-CE1 4.48Å; Y117-F151 HydrophobicContact CE2-CD1 4.44Å; Y117-F151 HydrophobicContact CE2-CE1 4.03Å; Y117-F151 HydrophobicContact CG-CD1 4.45Å; Y117-F151 AromaticContact CG-CE1 3.59Å; Y117-F151 HydrophobicContact CG-CE1 3.59Å; Y117-F151 HydrophobicContact CG-CZ 4.41Å; F119-F151 HydrophobicContact CE2-CE1 4.38Å; F119-F151 HydrophobicContact CZ-CE1 4.45Å; E147-F151 WeakPolarHBondContact O-CB 3.42Å; E147-F151 PolarHBondContact O-N 2.87Å; E148-F151 PolarHBondContact O-N 3.37Å; F151-L155 HydrophobicContact CD2-CD1 4.24Å; F151-L155 HydrophobicContact CE1-CD1 4.08Å; F151-L155 HydrophobicContact CE2-CD1 3.54Å; F151-L155 HydrophobicContact CZ-CD1 3.44Å; F151-L155 VanDerWaalsContact CZ-CD1 3.44Å; F151-L155 PolarHBondContact O-N 2.75Å
152V97.9Very high96.1Very high0 Ų049.4 Ų49.40%027%0.268CS..Hα-helixtrans-67.2-44.3-176.3164.90000111.9Y117 F119 V141 L143 E148 W149 R154 L155 S156 I211 I229Y117-V152 HydrophobicContact CD1-CG2 4.22Å; Y117-V152 HydrophobicContact CE1-CG2 4.25Å; F119-V152 HydrophobicContact CZ-CG2 4.45Å; V141-V152 HydrophobicContact CG2-CG2 4.27Å; L143-V152 HydrophobicContact CD2-CB 4.02Å; L143-V152 HydrophobicContact CD2-CG1 4.37Å; L143-V152 HydrophobicContact CD2-CG2 3.71Å; E148-V152 WeakPolarHBondContact O-CB 3.38Å; E148-V152 WeakPolarHBondContact O-CG2 3.48Å; E148-V152 PolarHBondContact O-N 3.27Å; W149-V152 PolarHBondContact O-N 3.24Å; V152-R154 PolarHBondContact O-N 2.76Å; V152-L155 PolarHBondContact O-N 2.84Å; V152-S156 VanDerWaalsContact O-CB 3.25Å; V152-S156 WeakPolarHBondContact O-CB 3.4Å; V152-S156 PolarHBondContact O-N 3.49Å; V152-S156 PolarHBondContact O-OG 3.2Å; V152-I211 HydrophobicContact CG1-CG1 4.43Å; V152-I229 HydrophobicContact CG1-CD1 3.69Å
153T96.5Very high96.2Very high28 Ų2849.1 Ų49.117%0.17227%0.267CS..Hα-helixtrans-67.8-35.5-178.355.30000112.5W149 D150 L155 S156 A157 I211 G215W149-T153 HydrophobicContact CE3-CG2 4.31Å; W149-T153 WeakPolarHBondContact O-CB 3.11Å; W149-T153 WeakPolarHBondContact O-CG2 3.09Å; W149-T153 PolarHBondContact O-N 3.19Å; W149-T153 PolarHBondContact O-OG1 2.97Å; D150-T153 PolarHBondContact O-OG1 3.2Å; T153-L155 PolarHBondContact O-N 2.87Å; T153-S156 PolarHBondContact O-N 3.06Å; T153-A157 PolarHBondContact O-N 2.77Å; T153-I211 HydrophobicContact CG2-CD1 4.36Å; T153-G215 WeakPolarHBondContact CG2-O 3.37Å
154R96.3Very high96.2Very high157 Ų15748.9 Ų48.959%0.59227%0.265SS*.Hα-helixtrans-60.7-43.1173.9-179.2177.363.8-1202.4112.2D150 V152D150-R154 WeakPolarHBondContact O-CB 3.22Å; D150-R154 PolarHBondContact O-N 3.5Å; V152-R154 PolarHBondContact O-N 2.76Å
155L94.8Very high96.4Very high68 Ų6843.2 Ų43.236%0.35624%0.238SC..Hα-helixtrans-80.9-21.4-180-67.5178.8000113.4E110 F119 F151 V152 T153 A157E110-L155 HydrophobicContact CB-CD1 4.33Å; E110-L155 HydrophobicContact CG-CD1 4.12Å; F119-L155 HydrophobicContact CD1-CB 4.28Å; F119-L155 HydrophobicContact CD2-CD1 4.34Å; F119-L155 HydrophobicContact CE1-CB 3.67Å; F119-L155 HydrophobicContact CE2-CB 3.99Å; F119-L155 HydrophobicContact CE2-CD1 3.54Å; F119-L155 HydrophobicContact CE2-CG 4.44Å; F119-L155 HydrophobicContact CZ-CB 3.52Å; F119-L155 HydrophobicContact CZ-CD1 3.74Å; F119-L155 HydrophobicContact CZ-CG 4.28Å; F151-L155 HydrophobicContact CD2-CD1 4.24Å; F151-L155 HydrophobicContact CE1-CD1 4.08Å; F151-L155 HydrophobicContact CE2-CD1 3.54Å; F151-L155 HydrophobicContact CZ-CD1 3.44Å; F151-L155 VanDerWaalsContact CZ-CD1 3.44Å; F151-L155 PolarHBondContact O-N 2.75Å; V152-L155 PolarHBondContact O-N 2.84Å; T153-L155 PolarHBondContact O-N 2.87Å; L155-A157 VanDerWaalsContact C-N 3.34Å
156S94.2Very high96.6Very high2 Ų241.9 Ų41.91%0.01423%0.228CC..THydrogen-bonded Turntrans-85.6-4.9177.3-560000113.8F119 V152 T153 G158 S159 I229F119-S156 WeakPolarHBondContact CE1-OG 3.16Å; V152-S156 VanDerWaalsContact O-CB 3.25Å; V152-S156 WeakPolarHBondContact O-CB 3.4Å; V152-S156 PolarHBondContact O-N 3.49Å; V152-S156 PolarHBondContact O-OG 3.2Å; T153-S156 PolarHBondContact O-N 3.06Å; S156-G158 PolarHBondContact O-N 2.81Å; S156-S159 PolarHBondContact O-N 3.48Å; S156-S159 VanDerWaalsContact O-N 3.1Å; S156-I229 WeakPolarHBondContact OG-CD1 3.5Å
157A90.3Very high96.6Very high67 Ų6738 Ų3855%0.55421%0.207SC*.THydrogen-bonded Turntrans-53.5131.3-170.400000112.6T153 L155 S159T153-A157 PolarHBondContact O-N 2.77Å; L155-A157 VanDerWaalsContact C-N 3.34Å; A157-S159 VanDerWaalsContact C-N 3.29Å; A157-S159 PolarHBondContact O-N 2.88Å
158G90.1Very high96.6Very high60 Ų6036.6 Ų36.662%0.61920%0.2SC*.THydrogen-bonded Turntrans75.310.8179.200000115.3S156 N213S156-G158 PolarHBondContact O-N 2.81Å; G158-N213 PolarHBondContact N-O 3.44Å
159S95.8Very high96.3Very high26 Ų2643.1 Ų43.118%0.18223%0.228CC..SBendtrans-138.1174176.4-83.20000111.9S156 A157 Y161 R227S156-S159 PolarHBondContact O-N 3.48Å; S156-S159 VanDerWaalsContact O-N 3.1Å; A157-S159 VanDerWaalsContact C-N 3.29Å; A157-S159 PolarHBondContact O-N 2.88Å; S159-Y161 VanDerWaalsContact CB-CE2 3.41Å; S159-R227 PolarHBondContact OG-NH1 3.09Å
160F98.3Very high95.9Very high81 Ų8145.4 Ų45.436%0.35525%0.246SC..  trans-117.5128-179.8-58.5-76.7000109.7H210 I211 H212 N213 L226F160-H210 AromaticContact CD1-CE1 3.55Å; F160-H210 AromaticContact CD1-ND1 3.79Å; F160-I211 WeakPolarHBondContact CA-O 3.37Å; F160-H212 HydrophobicContact CE1-CB 4.47Å; F160-H212 AromaticContact CE1-CD2 3.63Å; F160-H212 AromaticContact CE1-CE1 3.63Å; F160-H212 AromaticContact CE1-CG 3.71Å; F160-H212 AromaticContact CE1-ND1 3.74Å; F160-H212 AromaticContact CE1-NE2 3.58Å; F160-N213 HydrophobicContact CE1-CB 4.24Å; F160-N213 HydrophobicContact CZ-CB 4.24Å; F160-L226 HydrophobicContact CB-CD1 4.15Å; F160-L226 HydrophobicContact CB-CD2 3.96Å
161Y98.8Very high95.8Very high22 Ų2244.1 Ų44.19%0.08625%0.254CS..EExtended strand (participates in β ladder)trans-135123.9-175.3-72.8-88.7000112.2F119 S159 V163 H210 I211 R227 I229F119-Y161 HydrophobicContact CB-CE1 4.18Å; F119-Y161 HydrophobicContact CD1-CE1 4.29Å; S159-Y161 VanDerWaalsContact CB-CE2 3.41Å; Y161-V163 PolarHBondContact O-N 2.86Å; Y161-H210 CarbonylContact O-C 3.12Å; Y161-H210 WeakPolarHBondContact O-CA 3.3Å; Y161-H210 WeakPolarHBondContact O-CB 3.34Å; Y161-I211 PolarHBondContact N-O 3.44Å; Y161-I211 PolarHBondContact O-N 2.77Å; Y161-R227 CarbonylContact C-O 3.4Å; Y161-R227 VanDerWaalsContact CA-O 3.24Å; Y161-R227 WeakPolarHBondContact CA-O 3.46Å; Y161-R227 HydrophobicContact CD1-CB 3.45Å; Y161-R227 VanDerWaalsContact CD1-CB 3.45Å; Y161-R227 HydrophobicContact CE1-CB 3.37Å; Y161-R227 HydrophobicContact CE1-CG 4.25Å; Y161-R227 HydrophobicContact CG-CB 4.23Å; Y161-I229 HydrophobicContact CD1-CD1 4.15Å; Y161-I229 HydrophobicContact CD1-CG1 3.6Å; Y161-I229 HydrophobicContact CE1-CG1 4.4Å; Y161-I229 HydrophobicContact CG-CD1 3.86Å; Y161-I229 HydrophobicContact CG-CG1 3.84Å
162W98.9Very high95.8Very high0 Ų052.8 Ų52.80%029%0.287CS..EExtended strand (participates in β ladder)trans-56.2136.6165.2-67.8135.5000110.8L124 W126 L140 C208 H210 L220 T224 L226 R227 I229L124-W162 PolarHBondContact O-NE1 3.34Å; W126-W162 HydrophobicContact CB-CD2 4.15Å; W126-W162 HydrophobicContact CB-CG 4.41Å; W126-W162 HydrophobicContact CB-CZ2 4.42Å; W126-W162 AromaticContact CD1-CD2 3.84Å; W126-W162 AromaticContact CD1-CE3 3.75Å; W126-W162 AromaticContact CD1-CG 3.98Å; W126-W162 HydrophobicContact CG-CD2 4.42Å; L140-W162 HydrophobicContact CD2-CB 4.44Å; W162-C208 HydrophobicContact CE3-CB 4.35Å; W162-C208 HydrophobicContact CH2-CB 4.17Å; W162-C208 HydrophobicContact CZ3-CB 3.85Å; W162-C208 WeakPolarHBondContact CZ3-O 3.34Å; W162-H210 HydrophobicContact CD2-CB 4.41Å; W162-H210 HydrophobicContact CE3-CB 3.56Å; W162-H210 HydrophobicContact CZ3-CB 3.82Å; W162-L220 HydrophobicContact CH2-CB 3.7Å; W162-L220 HydrophobicContact CH2-CD2 3.86Å; W162-L220 HydrophobicContact CH2-CG 4.06Å; W162-L220 HydrophobicContact CZ2-CD2 4.43Å; W162-L220 HydrophobicContact CZ3-CB 3.98Å; W162-T224 WeakPolarHBondContact CZ2-O 3.13Å; W162-T224 PolarHBondContact NE1-O 2.83Å; W162-L226 HydrophobicContact CD2-CB 4.16Å; W162-L226 HydrophobicContact CD2-CD1 3.92Å; W162-L226 HydrophobicContact CD2-CG 4.33Å; W162-L226 HydrophobicContact CE3-CD1 4.02Å; W162-L226 HydrophobicContact CG-CB 4.17Å; W162-L226 HydrophobicContact CH2-CD1 3.95Å; W162-L226 HydrophobicContact CH2-CG 4.5Å; W162-L226 HydrophobicContact CZ2-CB 4.45Å; W162-L226 HydrophobicContact CZ2-CD1 3.86Å; W162-L226 HydrophobicContact CZ2-CG 3.95Å; W162-L226 HydrophobicContact CZ3-CD1 4Å; W162-R227 PolarHBondContact N-O 2.97Å; W162-I229 PolarHBondContact O-N 3.39Å; W162-I229 VanDerWaalsContact O-N 3.17Å
163V98.9Very high95.8Very high0 Ų053.9 Ų53.90%029%0.291CS..EExtended strand (participates in β ladder)trans-119.6167.9170.5-61.60000109.6W126 V141 Y161 L165 W175 A209 I211 L217W126-V163 PolarHBondContact NE1-O 2.9Å; V141-V163 HydrophobicContact CG1-CB 3.84Å; V141-V163 HydrophobicContact CG1-CG1 3.58Å; Y161-V163 PolarHBondContact O-N 2.86Å; V163-L165 HydrophobicContact CG2-CB 4.06Å; V163-L165 PolarHBondContact O-N 2.86Å; V163-W175 HydrophobicContact CG2-CZ3 4.44Å; V163-A209 HydrophobicContact CG2-CB 4.19Å; V163-A209 WeakPolarHBondContact CG2-O 3.21Å; V163-A209 PolarHBondContact N-O 3.01Å; V163-I211 HydrophobicContact CG1-CD1 4.37Å; V163-I211 HydrophobicContact CG1-CG1 3.61Å; V163-L217 HydrophobicContact CG2-CD2 3.9Å
164G98.7Very high95.9Very high0 Ų054.4 Ų54.40%029%0.291CS..EExtended strand (participates in β ladder)trans-76.731.3-174.400000114.4V141 W175 V176V141-G164 WeakPolarHBondContact O-CA 3.5Å; V141-G164 PolarHBondContact O-N 3Å; G164-W175 CarbonylContact O-C 3.33Å; G164-W175 WeakPolarHBondContact O-CA 3.42Å; G164-V176 WeakPolarHBondContact O-CG1 3.33Å; G164-V176 PolarHBondContact O-N 3.48Å
165L98.8Very high96Very high0 Ų047.2 Ų47.20%026%0.264CS..EExtended strand (participates in β ladder)trans-114.1127.2-176-174.569.3000110.1V163 W173 W175 Y181 W188 A209 L217V163-L165 HydrophobicContact CG2-CB 4.06Å; V163-L165 PolarHBondContact O-N 2.86Å; L165-W173 HydrophobicContact CD1-CB 4.19Å; L165-W173 HydrophobicContact CD1-CE3 4.31Å; L165-W173 HydrophobicContact CD2-CE3 4.1Å; L165-W173 HydrophobicContact CG-CD2 4.46Å; L165-W173 HydrophobicContact CG-CE3 3.63Å; L165-W173 HydrophobicContact CG-CZ3 4.2Å; L165-W175 HydrophobicContact CB-CD2 4.43Å; L165-W175 HydrophobicContact CB-CE3 3.75Å; L165-W175 HydrophobicContact CB-CH2 4.15Å; L165-W175 HydrophobicContact CB-CZ3 3.59Å; L165-W175 HydrophobicContact CD1-CD2 3.89Å; L165-W175 HydrophobicContact CD1-CE3 4.07Å; L165-W175 HydrophobicContact CD1-CG 4.37Å; L165-W175 HydrophobicContact CD1-CH2 4.45Å; L165-W175 HydrophobicContact CD1-CZ2 4.32Å; L165-W175 HydrophobicContact CD1-CZ3 4.36Å; L165-W175 HydrophobicContact CD2-CH2 4.4Å; L165-W175 HydrophobicContact CG-CE3 4.48Å; L165-W175 HydrophobicContact CG-CZ3 4.4Å; L165-Y181 HydrophobicContact CD1-CD1 4.38Å; L165-Y181 HydrophobicContact CD1-CD2 4.12Å; L165-Y181 HydrophobicContact CD1-CG 3.77Å; L165-Y181 HydrophobicContact CD2-CD1 4.34Å; L165-Y181 HydrophobicContact CD2-CD2 4.38Å; L165-Y181 HydrophobicContact CD2-CE1 4.48Å; L165-Y181 HydrophobicContact CD2-CG 4.29Å; L165-W188 HydrophobicContact CD2-CH2 4.12Å; L165-W188 HydrophobicContact CD2-CZ2 3.74Å; L165-A209 HydrophobicContact CB-CB 3.91Å; L165-A209 HydrophobicContact CD2-CB 3.91Å; L165-A209 HydrophobicContact CG-CB 4.11Å; L165-A209 PolarHBondContact O-N 2.77Å; L165-L217 HydrophobicContact CD2-CD1 3.71Å
166T98.6Very high96.1Very high10 Ų1046 Ų466%0.06126%0.259CS..EExtended strand (participates in β ladder)trans-150.4154.6-178.9-178.70000110.9W126 E168 W173 E174 D207W126-T166 HydrophobicContact CH2-CG2 3.62Å; W126-T166 HydrophobicContact CZ2-CG2 3.8Å; W126-T166 HydrophobicContact CZ3-CG2 4.42Å; T166-E168 WeakPolarHBondContact OG1-CB 3.27Å; T166-E168 PolarHBondContact OG1-N 3.43Å; T166-W173 VanDerWaalsContact C-CE3 3.47Å; T166-W173 WeakPolarHBondContact O-CA 3.49Å; T166-E174 PolarHBondContact N-O 3.46Å; T166-E174 PolarHBondContact O-N 3.43Å; T166-D207 WeakPolarHBondContact CA-O 3.48Å; T166-D207 WeakPolarHBondContact CB-O 3.48Å; T166-D207 PolarHBondContact OG1-O 2.97Å
167D97.7Very high96.2Very high16 Ų1649.8 Ų49.89%0.08628%0.279CS..  trans-117.93.2167.861.5-10.6000113.9K169 S170 G171 W173 D207D167-K169 PolarHBondContact O-N 2.9Å; D167-S170 PolarHBondContact O-N 3.31Å; D167-G171 WeakPolarHBondContact O-CA 3.38Å; D167-G171 PolarHBondContact O-N 2.91Å; D167-W173 HydrophobicContact CB-CD2 3.97Å; D167-W173 HydrophobicContact CB-CE3 4.16Å; D167-W173 HydrophobicContact CB-CG 4.19Å; D167-W173 PolarHBondContact OD2-NE1 3.32Å; D167-D207 PolarHBondContact N-O 2.77Å; D167-D207 VanDerWaalsContact N-O 3.08Å; D167-D207 WeakPolarHBondContact OD1-CA 3.47Å; D167-D207 WeakPolarHBondContact OD1-CB 3.38Å
168E95.3Very high96.5Very high93 Ų9353.6 Ų53.644%0.43529%0.285SS..THydrogen-bonded Turntrans-48.3-38.2-177.2-176.2-175.8-120.200113.3H127 T166 D207H127-E168 IonicContact CD2-OE2 3.82Å; H127-E168 IonicContact CE1-OE1 3.63Å; H127-E168 PolarHBondContact CE1-OE1 2.68Å; H127-E168 IonicContact CE1-OE2 2.96Å; H127-E168 VanDerWaalsContact NE2-CD 3.29Å; H127-E168 IonicContact NE2-OE1 2.96Å; H127-E168 PolarHBondContact NE2-OE1 3.49Å; H127-E168 IonicContact NE2-OE2 2.84Å; H127-E168 PolarHBondContact NE2-OE2 3.32Å; T166-E168 WeakPolarHBondContact OG1-CB 3.27Å; T166-E168 PolarHBondContact OG1-N 3.43Å; E168-D207 HydrophobicContact CB-CB 3.8Å; E168-D207 HydrophobicContact CG-CB 4.5Å
169K91.1Very high96.8Very high162 Ų16252.8 Ų52.870%0.70427%0.269SS*.THydrogen-bonded Turntrans-85.6-42.2-172.4-173.4-178.7175.4-171.10113.8D167D167-K169 PolarHBondContact O-N 2.9Å
170S90.1Very high96.9Very high60 Ų6056.5 Ų56.542%0.4229%0.292SS..THydrogen-bonded Turntrans-115.7-5.5-167.968.80000113.4D167 R172 E174D167-S170 PolarHBondContact O-N 3.31Å; S170-R172 PolarHBondContact O-N 3.35Å; S170-R172 PolarHBondContact OG-N 3.5Å; S170-R172 PolarHBondContact OG-O 2.93Å; S170-E174 PolarHBondContact OG-OE2 3.34Å; S170-E174 VanDerWaalsContact OG-OE2 3.07Å
171G93.9Very high96.9Very high63 Ų6354.1 Ų54.165%0.64928%0.281SS*.SBendtrans64.316.2-167.800000112.5D167D167-G171 WeakPolarHBondContact O-CA 3.38Å; D167-G171 PolarHBondContact O-N 2.91Å
172R96.5Very high96.8Very high194 Ų19459.1 Ų59.173%0.73231%0.313SS*.SBendtrans-135.2135.9176.1-62.9-179.3-177.3-103.8-1.4108.7S170 E174S170-R172 PolarHBondContact O-N 3.35Å; S170-R172 PolarHBondContact OG-N 3.5Å; S170-R172 PolarHBondContact OG-O 2.93Å; R172-E174 PolarHBondContact O-N 3.27Å
173W98.3Very high96.6Very high23 Ų2363.2 Ų63.29%0.08733%0.334CS..  trans-57.8120.7177.4-69.299000111.6L165 T166 D167 Y181 W188 P193 A209 D219L165-W173 HydrophobicContact CD1-CB 4.19Å; L165-W173 HydrophobicContact CD1-CE3 4.31Å; L165-W173 HydrophobicContact CD2-CE3 4.1Å; L165-W173 HydrophobicContact CG-CD2 4.46Å; L165-W173 HydrophobicContact CG-CE3 3.63Å; L165-W173 HydrophobicContact CG-CZ3 4.2Å; T166-W173 VanDerWaalsContact C-CE3 3.47Å; T166-W173 WeakPolarHBondContact O-CA 3.49Å; D167-W173 HydrophobicContact CB-CD2 3.97Å; D167-W173 HydrophobicContact CB-CE3 4.16Å; D167-W173 HydrophobicContact CB-CG 4.19Å; D167-W173 PolarHBondContact OD2-NE1 3.32Å; W173-Y181 HydrophobicContact CB-CD1 3.88Å; W173-Y181 HydrophobicContact CB-CG 4.34Å; W173-Y181 WeakPolarHBondContact O-CB 3.38Å; W173-Y181 PolarHBondContact O-N 3.1Å; W173-W188 HydrophobicContact CD2-CH2 4.01Å; W173-W188 HydrophobicContact CD2-CZ2 4.19Å; W173-W188 AromaticContact CE2-CH2 3.74Å; W173-W188 HydrophobicContact CE3-CH2 4.21Å; W173-W188 AromaticContact CH2-CH2 3.83Å; W173-W188 HydrophobicContact CH2-CH2 3.83Å; W173-W188 HydrophobicContact CH2-CZ3 4.45Å; W173-W188 AromaticContact CZ2-CH2 3.66Å; W173-W188 HydrophobicContact CZ2-CH2 3.66Å; W173-W188 HydrophobicContact CZ2-CZ3 4.25Å; W173-W188 HydrophobicContact CZ3-CH2 4.1Å; W173-P193 HydrophobicContact CZ2-CB 3.71Å; W173-P193 HydrophobicContact CZ2-CG 4.1Å; W173-A209 HydrophobicContact CH2-CB 4.14Å; W173-A209 HydrophobicContact CZ3-CB 3.72Å; W173-D219 HydrophobicContact CH2-CB 3.63Å; W173-D219 HydrophobicContact CZ2-CB 3.74Å
174E98.3Very high96.5Very high39 Ų3966.3 Ų66.318%0.18235%0.35CS..EExtended strand (participates in β ladder)trans-136.9145.2178.562-173.3-146.400110.4T166 S170 R172T166-E174 PolarHBondContact N-O 3.46Å; T166-E174 PolarHBondContact O-N 3.43Å; S170-E174 PolarHBondContact OG-OE2 3.34Å; S170-E174 VanDerWaalsContact OG-OE2 3.07Å; R172-E174 PolarHBondContact O-N 3.27Å
175W98.4Very high96.3Very high6 Ų676.7 Ų76.72%0.02339%0.389CS..EExtended strand (participates in β ladder)trans-74.9157171.8-65111000110.4I142 L143 W149 V163 G164 L165 N177 Q178 T179 Y181I142-W175 HydrophobicContact CB-CD2 4.32Å; I142-W175 HydrophobicContact CB-CE3 4.17Å; I142-W175 HydrophobicContact CD1-CB 4.3Å; I142-W175 HydrophobicContact CG1-CB 4.15Å; I142-W175 HydrophobicContact CG1-CE3 4.2Å; I142-W175 HydrophobicContact CG2-CB 3.94Å; I142-W175 HydrophobicContact CG2-CD2 3.63Å; I142-W175 HydrophobicContact CG2-CE3 3.99Å; I142-W175 HydrophobicContact CG2-CG 3.59Å; L143-W175 HydrophobicContact CB-CH2 3.84Å; L143-W175 HydrophobicContact CB-CZ2 4.18Å; L143-W175 HydrophobicContact CD1-CH2 4.46Å; L143-W175 HydrophobicContact CG-CH2 4.19Å; L143-W175 WeakPolarHBondContact O-CZ2 3.49Å; W149-W175 HydrophobicContact CZ2-CH2 4.34Å; V163-W175 HydrophobicContact CG2-CZ3 4.44Å; G164-W175 CarbonylContact O-C 3.33Å; G164-W175 WeakPolarHBondContact O-CA 3.42Å; L165-W175 HydrophobicContact CB-CD2 4.43Å; L165-W175 HydrophobicContact CB-CE3 3.75Å; L165-W175 HydrophobicContact CB-CH2 4.15Å; L165-W175 HydrophobicContact CB-CZ3 3.59Å; L165-W175 HydrophobicContact CD1-CD2 3.89Å; L165-W175 HydrophobicContact CD1-CE3 4.07Å; L165-W175 HydrophobicContact CD1-CG 4.37Å; L165-W175 HydrophobicContact CD1-CH2 4.45Å; L165-W175 HydrophobicContact CD1-CZ2 4.32Å; L165-W175 HydrophobicContact CD1-CZ3 4.36Å; L165-W175 HydrophobicContact CD2-CH2 4.4Å; L165-W175 HydrophobicContact CG-CE3 4.48Å; L165-W175 HydrophobicContact CG-CZ3 4.4Å; W175-N177 WeakPolarHBondContact CB-OD1 3.47Å; W175-N177 PolarHBondContact O-N 3.44Å; W175-Q178 WeakPolarHBondContact O-CA 3.13Å; W175-Q178 PolarHBondContact O-N 2.93Å; W175-T179 PolarHBondContact N-O 3.47Å; W175-Y181 AromaticContact CE2-CD2 3.93Å; W175-Y181 AromaticContact CZ2-CD2 3.78Å; W175-Y181 HydrophobicContact CZ2-CD2 3.78Å; W175-Y181 HydrophobicContact CZ2-CE2 4.12Å; W175-Y181 AromaticContact NE1-CD2 3.82Å
176V98.1Very high96.2Very high41 Ų4187.3 Ų87.325%0.24843%0.429CS..THydrogen-bonded Turntrans-58.2-19.7179-72.80000114.1W126 R130 H139 L140 I142 G164 Q178W126-V176 HydrophobicContact CH2-CG1 3.67Å; W126-V176 HydrophobicContact CZ2-CG1 3.63Å; R130-V176 HydrophobicContact CG-CG1 4.48Å; H139-V176 HydrophobicContact CB-CG2 4.09Å; L140-V176 HydrophobicContact CB-CG1 4.4Å; L140-V176 HydrophobicContact CB-CG2 4.43Å; L140-V176 WeakPolarHBondContact O-CG2 3.07Å; I142-V176 HydrophobicContact CD1-CG2 3.88Å; I142-V176 HydrophobicContact CG1-CG2 3.94Å; G164-V176 WeakPolarHBondContact O-CG1 3.33Å; G164-V176 PolarHBondContact O-N 3.48Å; V176-Q178 VanDerWaalsContact C-N 3.26Å; V176-Q178 PolarHBondContact O-N 3.26Å
177N96.2Very high96.1Very high82 Ų8289 Ų8944%0.43944%0.435SS..THydrogen-bonded Turntrans-86.813171.575.3-9.3000113.8I142 W175 T179I142-N177 HydrophobicContact CD1-CB 3.6Å; I142-N177 VanDerWaalsContact CD1-CG 3.41Å; W175-N177 WeakPolarHBondContact CB-OD1 3.47Å; W175-N177 PolarHBondContact O-N 3.44Å; N177-T179 VanDerWaalsContact CG-OG1 3.26Å; N177-T179 PolarHBondContact ND2-OG1 2.95Å; N177-T179 PolarHBondContact O-N 3.23Å; N177-T179 WeakPolarHBondContact OD1-CB 3.33Å; N177-T179 PolarHBondContact OD1-N 3.33Å; N177-T179 PolarHBondContact OD1-OG1 2.98Å
178Q96.3Very high96.1Very high147 Ų14788.4 Ų88.469%0.68743%0.431SS*.SBendtrans69.311.1-179.1-50.9165.6-6.900114.7W175 V176 P180W175-Q178 WeakPolarHBondContact O-CA 3.13Å; W175-Q178 PolarHBondContact O-N 2.93Å; V176-Q178 VanDerWaalsContact C-N 3.26Å; V176-Q178 PolarHBondContact O-N 3.26Å; Q178-P180 WeakPolarHBondContact O-CD 3.45Å
179T97Very high96.3Very high44 Ų4486.4 Ų86.427%0.2742%0.421SS..PPolyproline II helixtrans-73.3123.2173-57.80000109.5M144 W175 N177 Y181M144-T179 HydrophobicContact CE-CG2 4.02Å; W175-T179 PolarHBondContact N-O 3.47Å; N177-T179 VanDerWaalsContact CG-OG1 3.26Å; N177-T179 PolarHBondContact ND2-OG1 2.95Å; N177-T179 PolarHBondContact O-N 3.23Å; N177-T179 WeakPolarHBondContact OD1-CB 3.33Å; N177-T179 PolarHBondContact OD1-N 3.33Å; N177-T179 PolarHBondContact OD1-OG1 2.98Å; T179-Y181 PolarHBondContact O-N 3.29Å
180P97.6Very high96.6Very high103 Ų10383.6 Ų83.667%0.66942%0.419SS*.BIsolated β-bridgetrans-62.4136.2175.9-22.634.1000111.6Q178Q178-P180 WeakPolarHBondContact O-CD 3.45Å
181Y97.8Very high96.9Very high31 Ų3184 Ų8412%0.12243%0.433CS..PPolyproline II helixtrans-87.6126.6174.6176-102.4000110.9L165 W173 W175 T179 M183 N184 W188L165-Y181 HydrophobicContact CD1-CD1 4.38Å; L165-Y181 HydrophobicContact CD1-CD2 4.12Å; L165-Y181 HydrophobicContact CD1-CG 3.77Å; L165-Y181 HydrophobicContact CD2-CD1 4.34Å; L165-Y181 HydrophobicContact CD2-CD2 4.38Å; L165-Y181 HydrophobicContact CD2-CE1 4.48Å; L165-Y181 HydrophobicContact CD2-CG 4.29Å; W173-Y181 HydrophobicContact CB-CD1 3.88Å; W173-Y181 HydrophobicContact CB-CG 4.34Å; W173-Y181 WeakPolarHBondContact O-CB 3.38Å; W173-Y181 PolarHBondContact O-N 3.1Å; W175-Y181 AromaticContact CE2-CD2 3.93Å; W175-Y181 AromaticContact CZ2-CD2 3.78Å; W175-Y181 HydrophobicContact CZ2-CD2 3.78Å; W175-Y181 HydrophobicContact CZ2-CE2 4.12Å; W175-Y181 AromaticContact NE1-CD2 3.82Å; T179-Y181 PolarHBondContact O-N 3.29Å; Y181-M183 HydrophobicContact CE1-SD 4.14Å; Y181-N184 PolarHBondContact OH-N 3.42Å; Y181-W188 HydrophobicContact CE1-CZ2 4.1Å; Y181-W188 AromaticContact CE1-NE1 3.44Å; Y181-W188 AromaticContact CZ-NE1 3.64Å; Y181-W188 PolarHBondContact OH-NE1 3.03Å; Y181-W188 VanDerWaalsContact OH-NE1 3.1Å
182V95.9Very high97.1Very high127 Ų12782.9 Ų82.977%0.7741%0.411SS*.  trans-86.4115.6172.2-178.80000108.6N184V182-N184 PolarHBondContact O-N 2.75Å
183M95.3Very high97.2Very high86 Ų8675.4 Ų75.442%0.42439%0.388SS..  trans-53.8112.1-175.9-174.958.373.500112.6Y181 W188 P193Y181-M183 HydrophobicContact CE1-SD 4.14Å; M183-W188 HydrophobicContact SD-CG 4.48Å; M183-W188 PolarHBondContact SD-NE1 2.92Å; M183-W188 VanDerWaalsContact SD-NE1 3.43Å; M183-P193 HydrophobicContact CE-CG 3.8Å
184N96.2Very high97.1Very high65 Ų6578.2 Ų78.235%0.34840%0.404SS..  trans-113.794.8174.3-177.4-11.5000110.4Y181 V182 R186 R187Y181-N184 PolarHBondContact OH-N 3.42Å; V182-N184 PolarHBondContact O-N 2.75Å; N184-R186 PolarHBondContact O-N 2.93Å; N184-R186 WeakPolarHBondContact OD1-CB 3.15Å; N184-R186 PolarHBondContact OD1-N 3.12Å; N184-R186 VanDerWaalsContact OD1-N 3.14Å; N184-R187 HydrophobicContact CB-CG 4.19Å; N184-R187 WeakPolarHBondContact O-CB 3.22Å; N184-R187 PolarHBondContact O-N 2.82Å
185R95.1Very high97Very high218 Ų21878.5 Ų78.582%0.82341%0.411SS*.THydrogen-bonded Turntrans-54.4-20.6-177.3-69.7-172175.4179.1-1.6115.2R187R185-R187 VanDerWaalsContact C-N 3.33Å
186R96.1Very high96.9Very high223 Ų22384.4 Ų84.484%0.84243%0.433SS*.THydrogen-bonded Turntrans-74.9-25.2176.7-60.5-177.1-179.9-165.30.6112.7N184N184-R186 PolarHBondContact O-N 2.93Å; N184-R186 WeakPolarHBondContact OD1-CB 3.15Å; N184-R186 PolarHBondContact OD1-N 3.12Å; N184-R186 VanDerWaalsContact OD1-N 3.14Å
187R97.4Very high96.8Very high47 Ų4787.2 Ų87.218%0.17745%0.451CS..THydrogen-bonded Turntrans-83.8-13.4178-63.9-66.7-174.5-171.31112.5D146 W149 N184 R185 R216 L217D146-R187 IonicContact OD1-CZ 3.3Å; D146-R187 IonicContact OD1-NH2 2.92Å; D146-R187 PolarHBondContact OD1-NH2 2.86Å; W149-R187 VanDerWaalsContact CB-CZ 3.41Å; W149-R187 VanDerWaalsContact CB-NH1 3.33Å; W149-R187 HydrophobicContact CD2-CG 4.45Å; W149-R187 VanDerWaalsContact CG-CZ 3.41Å; W149-R187 HydrophobicContact CH2-CB 4.21Å; W149-R187 HydrophobicContact CZ2-CB 4.37Å; W149-R187 HydrophobicContact CZ2-CG 4.3Å; W149-R187 HydrophobicContact CZ3-CB 4.42Å; N184-R187 HydrophobicContact CB-CG 4.19Å; N184-R187 WeakPolarHBondContact O-CB 3.22Å; N184-R187 PolarHBondContact O-N 2.82Å; R185-R187 VanDerWaalsContact C-N 3.33Å; R187-R216 CarbonylContact O-C 3.47Å; R187-R216 WeakPolarHBondContact O-CA 3.5Å; R187-L217 PolarHBondContact O-N 2.86Å
188W98.3Very high96.6Very high3 Ų385.7 Ų85.71%0.01145%0.454CS..BIsolated β-bridgetrans-98.8152.7177.7-66.983.6000112.2L165 W173 Y181 M183 Q192 P193 A209 R216 L217 D219L165-W188 HydrophobicContact CD2-CH2 4.12Å; L165-W188 HydrophobicContact CD2-CZ2 3.74Å; W173-W188 HydrophobicContact CD2-CH2 4.01Å; W173-W188 HydrophobicContact CD2-CZ2 4.19Å; W173-W188 AromaticContact CE2-CH2 3.74Å; W173-W188 HydrophobicContact CE3-CH2 4.21Å; W173-W188 AromaticContact CH2-CH2 3.83Å; W173-W188 HydrophobicContact CH2-CH2 3.83Å; W173-W188 HydrophobicContact CH2-CZ3 4.45Å; W173-W188 AromaticContact CZ2-CH2 3.66Å; W173-W188 HydrophobicContact CZ2-CH2 3.66Å; W173-W188 HydrophobicContact CZ2-CZ3 4.25Å; W173-W188 HydrophobicContact CZ3-CH2 4.1Å; Y181-W188 HydrophobicContact CE1-CZ2 4.1Å; Y181-W188 AromaticContact CE1-NE1 3.44Å; Y181-W188 AromaticContact CZ-NE1 3.64Å; Y181-W188 PolarHBondContact OH-NE1 3.03Å; Y181-W188 VanDerWaalsContact OH-NE1 3.1Å; M183-W188 HydrophobicContact SD-CG 4.48Å; M183-W188 PolarHBondContact SD-NE1 2.92Å; M183-W188 VanDerWaalsContact SD-NE1 3.43Å; W188-Q192 HydrophobicContact CB-CB 4.46Å; W188-Q192 WeakPolarHBondContact CB-O 3.31Å; W188-Q192 HydrophobicContact CE3-CB 3.96Å; W188-P193 HydrophobicContact CE3-CB 4.18Å; W188-P193 HydrophobicContact CE3-CG 4.37Å; W188-P193 HydrophobicContact CH2-CB 4.21Å; W188-P193 HydrophobicContact CH2-CG 4.29Å; W188-P193 HydrophobicContact CZ3-CB 3.82Å; W188-P193 HydrophobicContact CZ3-CG 4.21Å; W188-A209 HydrophobicContact CH2-CB 3.96Å; W188-A209 HydrophobicContact CZ3-CB 4.4Å; W188-R216 WeakPolarHBondContact O-CD 3.49Å; W188-L217 HydrophobicContact CD2-CB 3.52Å; W188-L217 HydrophobicContact CD2-CD1 3.99Å; W188-L217 HydrophobicContact CD2-CG 4.44Å; W188-L217 VanDerWaalsContact CE2-CD1 3.5Å; W188-L217 HydrophobicContact CE3-CB 3.42Å; W188-L217 VanDerWaalsContact CE3-CB 3.42Å; W188-L217 HydrophobicContact CE3-CD1 4.47Å; W188-L217 HydrophobicContact CG-CB 4.09Å; W188-L217 HydrophobicContact CH2-CB 4.19Å; W188-L217 HydrophobicContact CH2-CD1 4.15Å; W188-L217 HydrophobicContact CZ2-CB 4.27Å; W188-L217 HydrophobicContact CZ2-CD1 3.61Å; W188-L217 HydrophobicContact CZ3-CB 3.77Å; W188-D219 HydrophobicContact CZ3-CB 4.3Å
189K97.9Very high96.4Very high50 Ų5080.1 Ų80.122%0.21743%0.428CS..PPolyproline II helixtrans-57.2145.5167.8-74-77.6-70.3-179.10109.4G191 Q192 H212 D214 R216 L217 N218K189-G191 PolarHBondContact O-N 2.91Å; K189-G191 VanDerWaalsContact O-N 3.12Å; K189-Q192 HydrophobicContact CB-CB 4.14Å; K189-Q192 HydrophobicContact CB-CG 3.7Å; K189-Q192 PolarHBondContact O-N 3.26Å; K189-H212 HydrophobicContact CD-CB 4.25Å; K189-H212 HydrophobicContact CG-CB 4.21Å; K189-D214 WeakPolarHBondContact CD-OD1 3.22Å; K189-D214 WeakPolarHBondContact CD-OD2 3.07Å; K189-D214 IonicContact NZ-OD2 3.23Å; K189-D214 PolarHBondContact NZ-OD2 2.96Å; K189-R216 HydrophobicContact CD-CB 4.14Å; K189-R216 HydrophobicContact CG-CB 4.03Å; K189-L217 WeakPolarHBondContact CG-O 3.48Å; K189-L217 PolarHBondContact N-O 3.14Å; K189-N218 HydrophobicContact CG-CB 4.38Å
190P97.7Very high96.2Very high103 Ų10381.6 Ų81.667%0.66945%0.452SS*.THydrogen-bonded Turntrans-57122.3173.2-2334.1000109.7
191G96.9Very high96Very high69 Ų6980.8 Ų80.871%0.71144%0.441SS*.THydrogen-bonded Turntrans103.3-17.4-175.500000114.5K189K189-G191 PolarHBondContact O-N 2.91Å; K189-G191 VanDerWaalsContact O-N 3.12Å
192Q98Very high95.7Very high39 Ų3981.4 Ų81.418%0.18246%0.457CS..  trans-101.9154.5-173.9-58.4-58.513.500114.7W188 K189 D194 N218 D219W188-Q192 HydrophobicContact CB-CB 4.46Å; W188-Q192 WeakPolarHBondContact CB-O 3.31Å; W188-Q192 HydrophobicContact CE3-CB 3.96Å; K189-Q192 HydrophobicContact CB-CB 4.14Å; K189-Q192 HydrophobicContact CB-CG 3.7Å; K189-Q192 PolarHBondContact O-N 3.26Å; Q192-D194 PolarHBondContact OE1-OD1 3.23Å; Q192-N218 HydrophobicContact CG-CB 4.46Å; Q192-N218 WeakPolarHBondContact CG-OD1 3.44Å; Q192-N218 PolarHBondContact NE2-OD1 2.91Å; Q192-D219 PolarHBondContact OE1-OD1 3.4Å
193P97.4Very high95.3Very high38 Ų3881.4 Ų81.425%0.24746%0.46CS..  cis-73.3146.8-7.730.3-33000113.2W173 M183 W188 D219W173-P193 HydrophobicContact CZ2-CB 3.71Å; W173-P193 HydrophobicContact CZ2-CG 4.1Å; M183-P193 HydrophobicContact CE-CG 3.8Å; W188-P193 HydrophobicContact CE3-CB 4.18Å; W188-P193 HydrophobicContact CE3-CG 4.37Å; W188-P193 HydrophobicContact CH2-CB 4.21Å; W188-P193 HydrophobicContact CH2-CG 4.29Å; W188-P193 HydrophobicContact CZ3-CB 3.82Å; W188-P193 HydrophobicContact CZ3-CG 4.21Å; P193-D219 WeakPolarHBondContact CA-OD1 3.12Å; P193-D219 HydrophobicContact CB-CB 3.95Å; P193-D219 WeakPolarHBondContact CB-OD1 3.19Å; P193-D219 VanDerWaalsContact CB-OD2 3.32Å; P193-D219 WeakPolarHBondContact CB-OD2 3.45Å
194D97.1Very high95.1Very high81 Ų8179.3 Ų79.343%0.43346%0.46SS..  trans-119.2-4.3-175.375.80.4000114.9Q192 W196 D219Q192-D194 PolarHBondContact OE1-OD1 3.23Å; D194-W196 PolarHBondContact O-N 3.02Å; D194-W196 VanDerWaalsContact OD1-CB 3.32Å; D194-W196 WeakPolarHBondContact OD1-CB 3.45Å; D194-W196 PolarHBondContact OD1-N 2.93Å; D194-D219 PolarHBondContact N-OD1 3.18Å; D194-D219 PolarHBondContact N-OD2 2.8Å
195S96.6Very high95Very high45 Ų4579 Ų7932%0.31546%0.459SS..  trans48.844.3178.3-56.10000111.4T197 D205 D219S195-T197 PolarHBondContact O-N 3.1Å; S195-D205 WeakPolarHBondContact O-CB 3.19Å; S195-D219 PolarHBondContact N-OD2 3.48Å
196W95.8Very high95.1Very high130 Ų13069 Ų6949%0.49242%0.421SS..  trans-62.3132.2-173.1-177.455.1000112.2D194 G198 H199 E206D194-W196 PolarHBondContact O-N 3.02Å; D194-W196 VanDerWaalsContact OD1-CB 3.32Å; D194-W196 WeakPolarHBondContact OD1-CB 3.45Å; D194-W196 PolarHBondContact OD1-N 2.93Å; W196-G198 VanDerWaalsContact CE2-C 3.48Å; W196-G198 VanDerWaalsContact CE2-CA 3.42Å; W196-G198 WeakPolarHBondContact CH2-O 3.48Å; W196-G198 WeakPolarHBondContact CZ2-O 3.19Å; W196-H199 HydrophobicContact CE3-CB 3.67Å; W196-H199 VanDerWaalsContact CH2-CA 3.41Å; W196-H199 HydrophobicContact CH2-CB 4.02Å; W196-H199 HydrophobicContact CZ3-CB 3.38Å; W196-H199 PolarHBondContact O-CD2 3.05Å; W196-H199 PolarHBondContact O-NE2 2.98Å; W196-E206 HydrophobicContact CB-CG 4.16Å; W196-E206 VanDerWaalsContact O-CG 3.31Å; W196-E206 WeakPolarHBondContact O-CG 3.18Å
197T95.2Very high95.2Very high101 Ų10159.8 Ų59.862%0.6239%0.388SS*.  trans-106.1-2.1179.449.30000113.1S195 H199 D205S195-T197 PolarHBondContact O-N 3.1Å; T197-H199 VanDerWaalsContact C-N 3.35Å; T197-H199 PolarHBondContact O-N 3.43Å; T197-D205 HydrophobicContact CG2-CB 3.79Å
198G93.6Very high95.2Very high49 Ų4957.5 Ų57.551%0.50538%0.38SS..THydrogen-bonded Turntrans-87.68.1-173.100000115.3W196 G200W196-G198 VanDerWaalsContact CE2-C 3.48Å; W196-G198 VanDerWaalsContact CE2-CA 3.42Å; W196-G198 WeakPolarHBondContact CH2-O 3.48Å; W196-G198 WeakPolarHBondContact CZ2-O 3.19Å; G198-G200 VanDerWaalsContact C-N 3.31Å; G198-G200 PolarHBondContact O-N 3.31Å
199H90.9Very high95.3Very high31 Ų3157.4 Ų57.414%0.14438%0.379CS..THydrogen-bonded Turntrans-72.5-16.4-173.347.372.5000114.8W196 T197 L201 G204 H221W196-H199 HydrophobicContact CE3-CB 3.67Å; W196-H199 VanDerWaalsContact CH2-CA 3.41Å; W196-H199 HydrophobicContact CH2-CB 4.02Å; W196-H199 HydrophobicContact CZ3-CB 3.38Å; W196-H199 PolarHBondContact O-CD2 3.05Å; W196-H199 PolarHBondContact O-NE2 2.98Å; T197-H199 VanDerWaalsContact C-N 3.35Å; T197-H199 PolarHBondContact O-N 3.43Å; H199-L201 VanDerWaalsContact C-N 3.31Å; H199-L201 HydrophobicContact CB-CD1 4.24Å; H199-L201 HydrophobicContact CB-CG 4.31Å; H199-L201 VanDerWaalsContact ND1-CB 3.33Å; H199-L201 WeakPolarHBondContact ND1-CB 3.48Å; H199-L201 PolarHBondContact ND1-N 3.39Å; H199-L201 VanDerWaalsContact ND1-N 3.11Å; H199-L201 PolarHBondContact O-N 3.44Å; H199-G204 PolarHBondContact NE2-O 2.88Å; H199-H221 AromaticContact CE1-CD2 3.14Å; H199-H221 PolarHBondContact CE1-CD2 3.23Å; H199-H221 AromaticContact CE1-CG 3.69Å; H199-H221 AromaticContact CE1-NE2 3.78Å; H199-H221 AromaticContact ND1-CD2 3.92Å; H199-H221 AromaticContact NE2-CD2 3.39Å; H199-H221 PolarHBondContact NE2-CD2 3.21Å; H199-H221 AromaticContact NE2-CG 3.97Å
200G94.1Very high95.3Very high74 Ų7455.2 Ų55.276%0.76337%0.37SS*.SBendtrans70.822.717900000114.6G198G198-G200 VanDerWaalsContact C-N 3.31Å; G198-G200 PolarHBondContact O-N 3.31Å
201L92.8Very high95.3Very high86 Ų8650.3 Ų50.345%0.4534%0.338SS..SBendtrans-97.77-179.1-61.2168.9000113.7H199 H221H199-L201 VanDerWaalsContact C-N 3.31Å; H199-L201 HydrophobicContact CB-CD1 4.24Å; H199-L201 HydrophobicContact CB-CG 4.31Å; H199-L201 VanDerWaalsContact ND1-CB 3.33Å; H199-L201 WeakPolarHBondContact ND1-CB 3.48Å; H199-L201 PolarHBondContact ND1-N 3.39Å; H199-L201 VanDerWaalsContact ND1-N 3.11Å; H199-L201 PolarHBondContact O-N 3.44Å; L201-H221 HydrophobicContact CD1-CB 3.82Å
202G90.7Very high95.4Very high44 Ų4448.8 Ų48.845%0.45431%0.312SS..SBendtrans118.9-169.1-17700000112.1
203P88.6Confident95.2Very high128 Ų12850.6 Ų50.683%0.83132%0.323SS*.SBendtrans-70.1152.1172.131.7-34.4000111
204G90.1Very high95.1Very high41 Ų4151.8 Ų51.842%0.42333%0.327SS..SBendtrans109.7166.4-176.600000112H199H199-G204 PolarHBondContact NE2-O 2.88Å
205D94.9Very high95.1Very high60 Ų6048.5 Ų48.532%0.32131%0.313SS..  trans-108.4-167.7173.745.2-18000111S195 T197 D207 H221S195-D205 WeakPolarHBondContact O-CB 3.19Å; T197-D205 HydrophobicContact CG2-CB 3.79Å; D205-D207 PolarHBondContact O-N 2.85Å; D205-H221 PolarHBondContact O-CD2 3.46Å
206E97Very high95.1Very high7 Ų750.5 Ų50.53%0.03331%0.313CS..  trans-92.193.3-177.5-60-157.9130.100111.2W196 D219 L220 H221W196-E206 HydrophobicContact CB-CG 4.16Å; W196-E206 VanDerWaalsContact O-CG 3.31Å; W196-E206 WeakPolarHBondContact O-CG 3.18Å; E206-D219 HydrophobicContact CB-CB 4.01Å; E206-D219 WeakPolarHBondContact O-CB 3.16Å; E206-D219 VanDerWaalsContact OE2-O 3.12Å; E206-L220 WeakPolarHBondContact OE1-CD1 3.32Å; E206-H221 PolarHBondContact OE1-N 2.89Å
207D98Very high95.2Very high29 Ų2944.3 Ų44.316%0.15529%0.29CS..  trans-1041.1-171.7-65.9-20.8000115.2T166 D167 E168 D205T166-D207 WeakPolarHBondContact CA-O 3.48Å; T166-D207 WeakPolarHBondContact CB-O 3.48Å; T166-D207 PolarHBondContact OG1-O 2.97Å; D167-D207 PolarHBondContact N-O 2.77Å; D167-D207 VanDerWaalsContact N-O 3.08Å; D167-D207 WeakPolarHBondContact OD1-CA 3.47Å; D167-D207 WeakPolarHBondContact OD1-CB 3.38Å; E168-D207 HydrophobicContact CB-CB 3.8Å; E168-D207 HydrophobicContact CG-CB 4.5Å; D205-D207 PolarHBondContact O-N 2.85Å
208C98.6Very high95.4Very high0 Ų040.4 Ų40.40%027%0.265CS..EExtended strand (participates in β ladder)trans-122.5126.3-173.9-72.60000111W126 W162 D219 L220 C222W126-C208 HydrophobicContact CB-CB 3.92Å; W126-C208 VanDerWaalsContact CB-SG 3.53Å; W126-C208 HydrophobicContact CD2-CB 4.36Å; W126-C208 VanDerWaalsContact CD2-SG 3.54Å; W126-C208 HydrophobicContact CG-CB 3.7Å; W162-C208 HydrophobicContact CE3-CB 4.35Å; W162-C208 HydrophobicContact CH2-CB 4.17Å; W162-C208 HydrophobicContact CZ3-CB 3.85Å; W162-C208 WeakPolarHBondContact CZ3-O 3.34Å; C208-D219 CarbonylContact O-C 3.59Å; C208-D219 WeakPolarHBondContact O-CA 3.41Å; C208-L220 PolarHBondContact N-O 3.17Å; C208-L220 PolarHBondContact O-N 3.35Å; C208-C222 HydrophobicContact CB-CB 3.92Å; C208-C222 WeakPolarHBondContact CB-SG 3.44Å; C208-C222 WeakPolarHBondContact SG-CB 3.33Å; C208-C222 CovalentContact SG-SG 2.03Å; C208-C222 PolarHBondContact SG-SG 2.03Å
209A98.6Very high95.6Very high0 Ų038 Ų380%024%0.241CC..EExtended strand (participates in β ladder)trans-89.6144.1-178.100000112.4V163 L165 W173 W188 L217 N218V163-A209 HydrophobicContact CG2-CB 4.19Å; V163-A209 WeakPolarHBondContact CG2-O 3.21Å; V163-A209 PolarHBondContact N-O 3.01Å; L165-A209 HydrophobicContact CB-CB 3.91Å; L165-A209 HydrophobicContact CD2-CB 3.91Å; L165-A209 HydrophobicContact CG-CB 4.11Å; L165-A209 PolarHBondContact O-N 2.77Å; W173-A209 HydrophobicContact CH2-CB 4.14Å; W173-A209 HydrophobicContact CZ3-CB 3.72Å; W188-A209 HydrophobicContact CH2-CB 3.96Å; W188-A209 HydrophobicContact CZ3-CB 4.4Å; A209-L217 HydrophobicContact CB-CD2 4.22Å; A209-N218 CarbonylContact C-O 3.57Å; A209-N218 WeakPolarHBondContact CA-O 3.38Å
210H98.8Very high96Very high5 Ų538.1 Ų38.12%0.02324%0.243CC..EExtended strand (participates in β ladder)trans-130.6155.6169.974.192.2000111.6F160 Y161 W162 H212 L217 N218 L226F160-H210 AromaticContact CD1-CE1 3.55Å; F160-H210 AromaticContact CD1-ND1 3.79Å; Y161-H210 CarbonylContact O-C 3.12Å; Y161-H210 WeakPolarHBondContact O-CA 3.3Å; Y161-H210 WeakPolarHBondContact O-CB 3.34Å; W162-H210 HydrophobicContact CD2-CB 4.41Å; W162-H210 HydrophobicContact CE3-CB 3.56Å; W162-H210 HydrophobicContact CZ3-CB 3.82Å; H210-H212 AromaticContact CE1-CD2 3.86Å; H210-H212 PolarHBondContact O-N 3.19Å; H210-L217 WeakPolarHBondContact O-CA 3.48Å; H210-N218 PolarHBondContact CD2-O 2.88Å; H210-N218 PolarHBondContact N-O 3.35Å; H210-N218 WeakPolarHBondContact NE2-CB 3.39Å; H210-N218 PolarHBondContact NE2-ND2 3.49Å; H210-N218 PolarHBondContact O-N 3.01Å; H210-L226 HydrophobicContact CB-CD1 3.73Å
211I98.5Very high96.2Very high0 Ų035.7 Ų35.70%021%0.211CC..EExtended strand (participates in β ladder)trans-72.9124.8163.5-62.6-67.7000108.1L143 W149 V152 T153 F160 Y161 V163 L217L143-I211 HydrophobicContact CD1-CD1 4.29Å; W149-I211 HydrophobicContact CE3-CD1 4.36Å; W149-I211 HydrophobicContact CH2-CD1 4.42Å; W149-I211 HydrophobicContact CZ3-CD1 3.63Å; V152-I211 HydrophobicContact CG1-CG1 4.43Å; T153-I211 HydrophobicContact CG2-CD1 4.36Å; F160-I211 WeakPolarHBondContact CA-O 3.37Å; Y161-I211 PolarHBondContact N-O 3.44Å; Y161-I211 PolarHBondContact O-N 2.77Å; V163-I211 HydrophobicContact CG1-CD1 4.37Å; V163-I211 HydrophobicContact CG1-CG1 3.61Å; I211-L217 HydrophobicContact CD1-CD2 3.9Å
212H97.7Very high96.4Very high37 Ų3732 Ų3217%0.17119%0.192CC..  trans-81.7166.8173.9-160.1-77000110.3F160 K189 H210 D214 G215 R216F160-H212 HydrophobicContact CE1-CB 4.47Å; F160-H212 AromaticContact CE1-CD2 3.63Å; F160-H212 AromaticContact CE1-CE1 3.63Å; F160-H212 AromaticContact CE1-CG 3.71Å; F160-H212 AromaticContact CE1-ND1 3.74Å; F160-H212 AromaticContact CE1-NE2 3.58Å; K189-H212 HydrophobicContact CD-CB 4.25Å; K189-H212 HydrophobicContact CG-CB 4.21Å; H210-H212 AromaticContact CE1-CD2 3.86Å; H210-H212 PolarHBondContact O-N 3.19Å; H212-D214 PolarHBondContact O-N 3.22Å; H212-G215 PolarHBondContact O-N 3.42Å; H212-R216 WeakPolarHBondContact CA-O 3.49Å; H212-R216 WeakPolarHBondContact CB-O 3.37Å; H212-R216 PolarHBondContact N-O 3.38Å
213N95Very high96.8Very high76 Ų7632.7 Ų32.741%0.40619%0.19SC..THydrogen-bonded Turntrans-55.5-18.4-177.671.6-7.9000115.8G158 F160G158-N213 PolarHBondContact N-O 3.44Å; F160-N213 HydrophobicContact CE1-CB 4.24Å; F160-N213 HydrophobicContact CZ-CB 4.24Å
214D94.8Very high97.2Very high63 Ų6328.1 Ų28.134%0.33716%0.16SC..THydrogen-bonded Turntrans-10311.1179.766.24.4000112.9K189 H212 R216K189-D214 WeakPolarHBondContact CD-OD1 3.22Å; K189-D214 WeakPolarHBondContact CD-OD2 3.07Å; K189-D214 IonicContact NZ-OD2 3.23Å; K189-D214 PolarHBondContact NZ-OD2 2.96Å; H212-D214 PolarHBondContact O-N 3.22Å; D214-R216 VanDerWaalsContact C-N 3.3Å; D214-R216 PolarHBondContact O-N 3.47Å; D214-R216 WeakPolarHBondContact OD1-CB 3.32Å; D214-R216 PolarHBondContact OD1-N 3.17Å; D214-R216 VanDerWaalsContact OD1-N 3.17Å; D214-R216 IonicContact OD1-NE 3.78Å; D214-R216 IonicContact OD2-CZ 2.88Å; D214-R216 VanDerWaalsContact OD2-CZ 3.32Å; D214-R216 IonicContact OD2-NE 2.86Å; D214-R216 PolarHBondContact OD2-NE 3.11Å; D214-R216 VanDerWaalsContact OD2-NE 3.11Å; D214-R216 IonicContact OD2-NH2 3.97Å; D214-R216 PolarHBondContact OD2-NH2 3.05Å
215G95.9Very high97.6Very high12 Ų1232.4 Ų32.412%0.12416%0.163CC..SBendtrans82.6-2.5178.100000114.8T153 H212T153-G215 WeakPolarHBondContact CG2-O 3.37Å; H212-G215 PolarHBondContact O-N 3.42Å
216R97.8Very high97.8Very high87 Ų8730.6 Ų30.633%0.32815%0.154SC..  trans-93.4154.8178.6-67.1-179.7-73.9-164.5-7.3111.9R187 W188 K189 H212 D214R187-R216 CarbonylContact O-C 3.47Å; R187-R216 WeakPolarHBondContact O-CA 3.5Å; W188-R216 WeakPolarHBondContact O-CD 3.49Å; K189-R216 HydrophobicContact CD-CB 4.14Å; K189-R216 HydrophobicContact CG-CB 4.03Å; H212-R216 WeakPolarHBondContact CA-O 3.49Å; H212-R216 WeakPolarHBondContact CB-O 3.37Å; H212-R216 PolarHBondContact N-O 3.38Å; D214-R216 VanDerWaalsContact C-N 3.3Å; D214-R216 PolarHBondContact O-N 3.47Å; D214-R216 WeakPolarHBondContact OD1-CB 3.32Å; D214-R216 PolarHBondContact OD1-N 3.17Å; D214-R216 VanDerWaalsContact OD1-N 3.17Å; D214-R216 IonicContact OD1-NE 3.78Å; D214-R216 IonicContact OD2-CZ 2.88Å; D214-R216 VanDerWaalsContact OD2-CZ 3.32Å; D214-R216 IonicContact OD2-NE 2.86Å; D214-R216 PolarHBondContact OD2-NE 3.11Å; D214-R216 VanDerWaalsContact OD2-NE 3.11Å; D214-R216 IonicContact OD2-NH2 3.97Å; D214-R216 PolarHBondContact OD2-NH2 3.05Å
217L98.6Very high97.9Very high0 Ų035.1 Ų35.10%017%0.17CC..EExtended strand (participates in β ladder)trans-71.1145.9175.1-67.9175.4000112.1W149 V163 L165 R187 W188 K189 A209 H210 I211W149-L217 HydrophobicContact CH2-CD1 3.61Å; W149-L217 HydrophobicContact CH2-CD2 3.91Å; W149-L217 HydrophobicContact CH2-CG 3.63Å; W149-L217 HydrophobicContact CZ2-CD1 4.36Å; W149-L217 HydrophobicContact CZ3-CD2 4.31Å; W149-L217 HydrophobicContact CZ3-CG 4.08Å; V163-L217 HydrophobicContact CG2-CD2 3.9Å; L165-L217 HydrophobicContact CD2-CD1 3.71Å; R187-L217 PolarHBondContact O-N 2.86Å; W188-L217 HydrophobicContact CD2-CB 3.52Å; W188-L217 HydrophobicContact CD2-CD1 3.99Å; W188-L217 HydrophobicContact CD2-CG 4.44Å; W188-L217 VanDerWaalsContact CE2-CD1 3.5Å; W188-L217 HydrophobicContact CE3-CB 3.42Å; W188-L217 VanDerWaalsContact CE3-CB 3.42Å; W188-L217 HydrophobicContact CE3-CD1 4.47Å; W188-L217 HydrophobicContact CG-CB 4.09Å; W188-L217 HydrophobicContact CH2-CB 4.19Å; W188-L217 HydrophobicContact CH2-CD1 4.15Å; W188-L217 HydrophobicContact CZ2-CB 4.27Å; W188-L217 HydrophobicContact CZ2-CD1 3.61Å; W188-L217 HydrophobicContact CZ3-CB 3.77Å; K189-L217 WeakPolarHBondContact CG-O 3.48Å; K189-L217 PolarHBondContact N-O 3.14Å; A209-L217 HydrophobicContact CB-CD2 4.22Å; H210-L217 WeakPolarHBondContact O-CA 3.48Å; I211-L217 HydrophobicContact CD1-CD2 3.9Å
218N98.6Very high97.9Very high19 Ų1933.9 Ų33.910%0.10216%0.164CC..EExtended strand (participates in β ladder)trans-141136.8167.2-179.883.6000106.9K189 Q192 A209 H210K189-N218 HydrophobicContact CG-CB 4.38Å; Q192-N218 HydrophobicContact CG-CB 4.46Å; Q192-N218 WeakPolarHBondContact CG-OD1 3.44Å; Q192-N218 PolarHBondContact NE2-OD1 2.91Å; A209-N218 CarbonylContact C-O 3.57Å; A209-N218 WeakPolarHBondContact CA-O 3.38Å; H210-N218 PolarHBondContact CD2-O 2.88Å; H210-N218 PolarHBondContact N-O 3.35Å; H210-N218 WeakPolarHBondContact NE2-CB 3.39Å; H210-N218 PolarHBondContact NE2-ND2 3.49Å; H210-N218 PolarHBondContact O-N 3.01Å
219D98.4Very high97.9Very high0 Ų033.9 Ų33.90%016%0.164CC..EExtended strand (participates in β ladder)trans-77.5142.7166.854.4-39.4000109.4W173 W188 Q192 P193 D194 S195 E206 C208W173-D219 HydrophobicContact CH2-CB 3.63Å; W173-D219 HydrophobicContact CZ2-CB 3.74Å; W188-D219 HydrophobicContact CZ3-CB 4.3Å; Q192-D219 PolarHBondContact OE1-OD1 3.4Å; P193-D219 WeakPolarHBondContact CA-OD1 3.12Å; P193-D219 HydrophobicContact CB-CB 3.95Å; P193-D219 WeakPolarHBondContact CB-OD1 3.19Å; P193-D219 VanDerWaalsContact CB-OD2 3.32Å; P193-D219 WeakPolarHBondContact CB-OD2 3.45Å; D194-D219 PolarHBondContact N-OD1 3.18Å; D194-D219 PolarHBondContact N-OD2 2.8Å; S195-D219 PolarHBondContact N-OD2 3.48Å; E206-D219 HydrophobicContact CB-CB 4.01Å; E206-D219 WeakPolarHBondContact O-CB 3.16Å; E206-D219 VanDerWaalsContact OE2-O 3.12Å; C208-D219 CarbonylContact O-C 3.59Å; C208-D219 WeakPolarHBondContact O-CA 3.41Å
220L98.1Very high97.9Very high33 Ų3333.9 Ų33.917%0.17316%0.164CC..EExtended strand (participates in β ladder)trans-148.9148.9179.8-170.967.4000109.3W162 E206 C208 C222 T224 L226W162-L220 HydrophobicContact CH2-CB 3.7Å; W162-L220 HydrophobicContact CH2-CD2 3.86Å; W162-L220 HydrophobicContact CH2-CG 4.06Å; W162-L220 HydrophobicContact CZ2-CD2 4.43Å; W162-L220 HydrophobicContact CZ3-CB 3.98Å; E206-L220 WeakPolarHBondContact OE1-CD1 3.32Å; C208-L220 PolarHBondContact N-O 3.17Å; C208-L220 PolarHBondContact O-N 3.35Å; L220-C222 PolarHBondContact O-N 3.41Å; L220-C222 VanDerWaalsContact O-N 3.17Å; L220-T224 HydrophobicContact CD2-CG2 3.66Å; L220-T224 HydrophobicContact CG-CG2 4.4Å; L220-L226 HydrophobicContact CD2-CD1 3.77Å; L220-L226 HydrophobicContact CD2-CD2 4.49Å; L220-L226 HydrophobicContact CD2-CG 4.32Å
221H98.1Very high97.9Very high23 Ų2334.2 Ų34.211%0.10617%0.165CC..  trans-54.5124.6177.4-171.1-87.1000111.1H199 L201 D205 E206 S223 T224H199-H221 AromaticContact CE1-CD2 3.14Å; H199-H221 PolarHBondContact CE1-CD2 3.23Å; H199-H221 AromaticContact CE1-CG 3.69Å; H199-H221 AromaticContact CE1-NE2 3.78Å; H199-H221 AromaticContact ND1-CD2 3.92Å; H199-H221 AromaticContact NE2-CD2 3.39Å; H199-H221 PolarHBondContact NE2-CD2 3.21Å; H199-H221 AromaticContact NE2-CG 3.97Å; L201-H221 HydrophobicContact CD1-CB 3.82Å; D205-H221 PolarHBondContact O-CD2 3.46Å; E206-H221 PolarHBondContact OE1-N 2.89Å; H221-S223 PolarHBondContact CE1-OG 2.73Å; H221-S223 PolarHBondContact ND1-N 2.96Å; H221-S223 PolarHBondContact ND1-OG 3.08Å; H221-S223 PolarHBondContact O-N 3.35Å; H221-T224 VanDerWaalsContact O-CB 3.3Å; H221-T224 WeakPolarHBondContact O-CB 3.32Å; H221-T224 PolarHBondContact O-N 3.22Å; H221-T224 PolarHBondContact O-OG1 3.18Å
222C98.3Very high97.6Very high8 Ų839 Ų395%0.05418%0.184CC..THydrogen-bonded Turntrans-59.6-23.2-166.9-62.20000114.9S125 W126 C208 L220 T224S125-C222 WeakPolarHBondContact CB-O 3.31Å; W126-C222 HydrophobicContact CB-CB 4.26Å; W126-C222 PolarHBondContact N-O 3.1Å; C208-C222 HydrophobicContact CB-CB 3.92Å; C208-C222 WeakPolarHBondContact CB-SG 3.44Å; C208-C222 WeakPolarHBondContact SG-CB 3.33Å; C208-C222 CovalentContact SG-SG 2.03Å; C208-C222 PolarHBondContact SG-SG 2.03Å; L220-C222 PolarHBondContact O-N 3.41Å; L220-C222 VanDerWaalsContact O-N 3.17Å; C222-T224 PolarHBondContact O-N 3.04Å
223S97.6Very high97.6Very high58 Ų5839.2 Ų39.241%0.40618%0.184SC..THydrogen-bonded Turntrans-74-12.1176.373.90000113.9H221H221-S223 PolarHBondContact CE1-OG 2.73Å; H221-S223 PolarHBondContact ND1-N 2.96Å; H221-S223 PolarHBondContact ND1-OG 3.08Å; H221-S223 PolarHBondContact O-N 3.35Å
224T98Very high97.7Very high33 Ų3337.2 Ų37.220%0.20217%0.173CC..SBendtrans-62.8139.7178.6-550000110.6S125 W162 L220 H221 C222 L226S125-T224 WeakPolarHBondContact CA-O 3.42Å; W162-T224 WeakPolarHBondContact CZ2-O 3.13Å; W162-T224 PolarHBondContact NE1-O 2.83Å; L220-T224 HydrophobicContact CD2-CG2 3.66Å; L220-T224 HydrophobicContact CG-CG2 4.4Å; H221-T224 VanDerWaalsContact O-CB 3.3Å; H221-T224 WeakPolarHBondContact O-CB 3.32Å; H221-T224 PolarHBondContact O-N 3.22Å; H221-T224 PolarHBondContact O-OG1 3.18Å; C222-T224 PolarHBondContact O-N 3.04Å; T224-L226 HydrophobicContact CG2-CD2 4.19Å; T224-L226 HydrophobicContact CG2-CG 4.28Å; T224-L226 PolarHBondContact O-N 3.39Å
225R98.4Very high97.9Very high130 Ų13035.8 Ų35.849%0.49116%0.163SC..  trans-93.5105-178.5-56.9-170.775.983.57.8110.1A123 L124 E128A123-R225 HydrophobicContact CB-CB 4.13Å; A123-R225 PolarHBondContact O-NE 2.9Å; A123-R225 PolarHBondContact O-NH2 2.84Å; A123-R225 VanDerWaalsContact O-NH2 3.09Å; L124-R225 VanDerWaalsContact CD2-NH2 3.3Å; L124-R225 WeakPolarHBondContact O-CA 3.39Å; E128-R225 IonicContact OE1-NH1 3.11Å; E128-R225 PolarHBondContact OE1-NH1 3.48Å; E128-R225 IonicContact OE1-NH2 2.7Å; E128-R225 IonicContact OE2-CZ 3.78Å; E128-R225 IonicContact OE2-NH1 3.1Å; E128-R225 PolarHBondContact OE2-NH1 2.95Å; E128-R225 IonicContact OE2-NH2 3.32Å; E128-R225 PolarHBondContact OE2-NH2 2.99Å
226L98.6Very high98Very high23 Ų2337.2 Ų37.212%0.1217%0.166CC..BIsolated β-bridgetrans-119.9163.2175-58.6-177.1000110.6A123 L124 F160 W162 H210 L220 T224A123-L226 CarbonylContact C-O 3.55Å; A123-L226 WeakPolarHBondContact CA-O 3.3Å; L124-L226 PolarHBondContact N-O 3.22Å; L124-L226 PolarHBondContact O-N 3.3Å; F160-L226 HydrophobicContact CB-CD1 4.15Å; F160-L226 HydrophobicContact CB-CD2 3.96Å; W162-L226 HydrophobicContact CD2-CB 4.16Å; W162-L226 HydrophobicContact CD2-CD1 3.92Å; W162-L226 HydrophobicContact CD2-CG 4.33Å; W162-L226 HydrophobicContact CE3-CD1 4.02Å; W162-L226 HydrophobicContact CG-CB 4.17Å; W162-L226 HydrophobicContact CH2-CD1 3.95Å; W162-L226 HydrophobicContact CH2-CG 4.5Å; W162-L226 HydrophobicContact CZ2-CB 4.45Å; W162-L226 HydrophobicContact CZ2-CD1 3.86Å; W162-L226 HydrophobicContact CZ2-CG 3.95Å; W162-L226 HydrophobicContact CZ3-CD1 4Å; H210-L226 HydrophobicContact CB-CD1 3.73Å; L220-L226 HydrophobicContact CD2-CD1 3.77Å; L220-L226 HydrophobicContact CD2-CD2 4.49Å; L220-L226 HydrophobicContact CD2-CG 4.32Å; T224-L226 HydrophobicContact CG2-CD2 4.19Å; T224-L226 HydrophobicContact CG2-CG 4.28Å; T224-L226 PolarHBondContact O-N 3.39Å
227R98.8Very high98Very high101 Ų10134.1 Ų34.138%0.38116%0.156SC..EExtended strand (participates in β ladder)trans-62.5168.2162.1-65.1176.3179.2116.96.3108.8S120 R121 S159 Y161 W162S120-R227 VanDerWaalsContact O-CD 3.3Å; S120-R227 WeakPolarHBondContact O-CD 3.1Å; S120-R227 WeakPolarHBondContact OG-CA 3.39Å; R121-R227 PolarHBondContact O-NE 3.35Å; S159-R227 PolarHBondContact OG-NH1 3.09Å; Y161-R227 CarbonylContact C-O 3.4Å; Y161-R227 VanDerWaalsContact CA-O 3.24Å; Y161-R227 WeakPolarHBondContact CA-O 3.46Å; Y161-R227 HydrophobicContact CD1-CB 3.45Å; Y161-R227 VanDerWaalsContact CD1-CB 3.45Å; Y161-R227 HydrophobicContact CE1-CB 3.37Å; Y161-R227 HydrophobicContact CE1-CG 4.25Å; Y161-R227 HydrophobicContact CG-CB 4.23Å; W162-R227 PolarHBondContact N-O 2.97Å
228Y98.8Very high98Very high3 Ų336.3 Ų36.31%0.01217%0.166CC..EExtended strand (participates in β ladder)trans-148.2157.3-173.755.9-87000110.3S120 L124 A129 W132S120-Y228 VanDerWaalsContact CB-CE1 3.46Å; S120-Y228 VanDerWaalsContact CB-CZ 3.46Å; S120-Y228 WeakPolarHBondContact CB-O 3.35Å; S120-Y228 PolarHBondContact N-O 3.35Å; S120-Y228 WeakPolarHBondContact OG-CD1 3.02Å; S120-Y228 WeakPolarHBondContact OG-CE1 3.26Å; S120-Y228 PolarHBondContact OG-N 2.91Å; S120-Y228 PolarHBondContact OG-O 3.48Å; L124-Y228 HydrophobicContact CB-CD1 4.14Å; L124-Y228 HydrophobicContact CB-CE1 4.06Å; L124-Y228 HydrophobicContact CD1-CD1 4.24Å; L124-Y228 HydrophobicContact CD1-CE1 3.47Å; L124-Y228 VanDerWaalsContact CD1-CE1 3.47Å; L124-Y228 HydrophobicContact CG-CD1 4.27Å; L124-Y228 HydrophobicContact CG-CE1 3.67Å; A129-Y228 HydrophobicContact CB-CD1 3.8Å; A129-Y228 HydrophobicContact CB-CD2 4.02Å; A129-Y228 HydrophobicContact CB-CG 3.53Å; W132-Y228 AromaticContact CD2-CE2 3.95Å; W132-Y228 HydrophobicContact CD2-CE2 3.95Å; W132-Y228 VanDerWaalsContact CD2-OH 3.28Å; W132-Y228 AromaticContact CE3-CE2 3.57Å; W132-Y228 HydrophobicContact CE3-CE2 3.57Å; W132-Y228 HydrophobicContact CG-CE2 4.37Å; W132-Y228 HydrophobicContact CZ3-CE2 4.16Å
229I98.8Very high97.9Very high0 Ų037.6 Ų37.60%017%0.171CC..EExtended strand (participates in β ladder)trans-118.4123.3179.9-56.1162.8000108.7L118 F119 L140 V141 V152 S156 Y161 W162L118-I229 WeakPolarHBondContact O-CA 3.36Å; F119-I229 HydrophobicContact CD1-CD1 3.82Å; F119-I229 HydrophobicContact CD1-CG1 3.7Å; F119-I229 HydrophobicContact CE1-CD1 3.52Å; F119-I229 HydrophobicContact CE1-CG1 3.86Å; F119-I229 HydrophobicContact CE1-CG2 4.28Å; F119-I229 HydrophobicContact CG-CG1 4.42Å; F119-I229 HydrophobicContact CZ-CD1 4.4Å; F119-I229 HydrophobicContact CZ-CG2 4.31Å; L140-I229 CarbonylContact C-O 3.56Å; L140-I229 WeakPolarHBondContact CA-O 3.19Å; V141-I229 HydrophobicContact CB-CB 4.12Å; V141-I229 HydrophobicContact CB-CG2 3.81Å; V141-I229 HydrophobicContact CG1-CB 3.7Å; V141-I229 HydrophobicContact CG1-CD1 4.45Å; V141-I229 HydrophobicContact CG1-CG2 3.86Å; V141-I229 HydrophobicContact CG2-CG2 4.32Å; V141-I229 PolarHBondContact N-O 3.32Å; V152-I229 HydrophobicContact CG1-CD1 3.69Å; S156-I229 WeakPolarHBondContact OG-CD1 3.5Å; Y161-I229 HydrophobicContact CD1-CD1 4.15Å; Y161-I229 HydrophobicContact CD1-CG1 3.6Å; Y161-I229 HydrophobicContact CE1-CG1 4.4Å; Y161-I229 HydrophobicContact CG-CD1 3.86Å; Y161-I229 HydrophobicContact CG-CG1 3.84Å; W162-I229 PolarHBondContact O-N 3.39Å; W162-I229 VanDerWaalsContact O-N 3.17Å
230C98.7Very high97.9Very high0 Ų040.5 Ų40.50%018%0.184CC..EExtended strand (participates in β ladder)trans-99150.1171.4-52.90000110.6W109 Y117 L118 C133 H139W109-C230 HydrophobicContact CH2-CB 3.51Å; W109-C230 HydrophobicContact CZ2-CB 4.46Å; W109-C230 HydrophobicContact CZ3-CB 3.87Å; Y117-C230 CarbonylContact C-O 3.47Å; Y117-C230 VanDerWaalsContact CA-O 3.26Å; Y117-C230 WeakPolarHBondContact CA-O 3.38Å; L118-C230 HydrophobicContact CB-CB 4.18Å; L118-C230 PolarHBondContact N-O 3.23Å; L118-C230 PolarHBondContact O-N 3.18Å; C133-C230 VanDerWaalsContact CA-SG 3.55Å; C133-C230 HydrophobicContact CB-CB 3.79Å; C133-C230 WeakPolarHBondContact CB-SG 3.38Å; C133-C230 VanDerWaalsContact SG-CA 3.56Å; C133-C230 WeakPolarHBondContact SG-CB 3.46Å; C133-C230 CovalentContact SG-SG 2.04Å; C133-C230 PolarHBondContact SG-SG 3.14Å; H139-C230 CarbonylContact O-C 3.52Å; H139-C230 VanDerWaalsContact O-CA 3.22Å; H139-C230 WeakPolarHBondContact O-CA 3.42Å
231Q98.2Very high97.9Very high13 Ų1341.1 Ų41.16%0.06119%0.185CC..EExtended strand (participates in β ladder)trans-132.4140.8176179.7-177.212.900110C116 Y117 S138 H139 V141 I142 E148C116-Q231 VanDerWaalsContact O-CA 3.3Å; C116-Q231 WeakPolarHBondContact O-CA 3.25Å; Y117-Q231 HydrophobicContact CD1-CB 4.25Å; Y117-Q231 HydrophobicContact CD1-CG 4.27Å; Y117-Q231 HydrophobicContact CE1-CB 4.23Å; Y117-Q231 HydrophobicContact CE1-CG 3.84Å; Y117-Q231 PolarHBondContact OH-NE2 2.84Å; S138-Q231 CarbonylContact C-O 3.54Å; S138-Q231 WeakPolarHBondContact CA-O 3.45Å; S138-Q231 VanDerWaalsContact CB-O 3.27Å; S138-Q231 WeakPolarHBondContact CB-O 3.32Å; H139-Q231 PolarHBondContact CE1-OE1 3.32Å; H139-Q231 PolarHBondContact N-O 3.31Å; H139-Q231 PolarHBondContact O-N 3.02Å; V141-Q231 HydrophobicContact CB-CB 4.2Å; V141-Q231 HydrophobicContact CG2-CB 4.1Å; I142-Q231 PolarHBondContact O-OE1 3.32Å; I142-Q231 VanDerWaalsContact O-OE1 3.11Å; E148-Q231 PolarHBondContact OE1-NE2 2.98Å
232R92.1Very high97.8Very high101 Ų10142.7 Ų42.738%0.38119%0.192SC..  trans-136.80169.261173.3150.7-152.4-12.6110.7W109 S115 C116W109-R232 HydrophobicContact CE3-CG 4.33Å; W109-R232 HydrophobicContact CZ3-CG 4.08Å; S115-R232 CarbonylContact C-O 3.46Å; S115-R232 WeakPolarHBondContact CA-O 2.94Å; S115-R232 WeakPolarHBondContact CB-O 3.3Å; S115-R232 PolarHBondContact OG-O 3.07Å; C116-R232 HydrophobicContact CB-CG 3.62Å; C116-R232 PolarHBondContact N-O 3.1Å; C116-R232 PolarHBondContact O-N 3.27Å

Retrieved 232 of 232 residues in 968.4 ms (Link to these results)

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