A0A077ZF52_TRITR Loading...

GntR and DRTGG and CBS domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZF52, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 427 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
1M59.2Low85.5Confident154 Ų15467.5 Ų67.576%0.75932%0.322SS*.  0127.20-140.8-155-7800109.4Q5 K6 E9M1-Q5 HydrophobicContact CG-CB 4.16Å; M1-Q5 HydrophobicContact CG-CG 4.02Å; M1-Q5 HydrophobicContact SD-CB 4.4Å; M1-Q5 HydrophobicContact SD-CG 4.1Å; M1-K6 HydrophobicContact CB-CG 4.5Å; M1-K6 HydrophobicContact SD-CG 3.71Å; M1-E9 WeakPolarHBondContact CE-OE2 3.32Å
2S84.8Confident85.7Confident67 Ų6767.3 Ų67.347%0.46932%0.32SS..  trans-69.2154.8-177.277.10000111.6H4 Q5 K6S2-H4 PolarHBondContact O-N 3.47Å; S2-Q5 PolarHBondContact O-N 3.08Å; S2-Q5 WeakPolarHBondContact OG-CB 3.45Å; S2-Q5 PolarHBondContact OG-N 2.92Å; S2-K6 PolarHBondContact O-N 3.17Å; S2-K6 VanDerWaalsContact O-N 3.16Å
3K86Confident86.1Confident134 Ų13471.8 Ų71.858%0.58335%0.348SS*.Hα-helixtrans-55.9-36.2174.3-73.1-177.8176.3-172.90111.5I7 V31 T35K3-I7 WeakPolarHBondContact O-CD1 3.46Å; K3-I7 WeakPolarHBondContact O-CG1 3.38Å; K3-I7 PolarHBondContact O-N 3Å; K3-V31 HydrophobicContact CB-CG1 4.06Å; K3-V31 HydrophobicContact CD-CG1 4.13Å; K3-V31 HydrophobicContact CG-CG1 4.27Å; K3-T35 HydrophobicContact CB-CG2 4.38Å
4H83.9Confident86.5Confident45 Ų4568.4 Ų68.421%0.20833%0.331CS..Hα-helixtrans-64.5-46.8176.8-171.786.2000112.8S2 K6 I7 L8 A39 E42S2-H4 PolarHBondContact O-N 3.47Å; H4-K6 VanDerWaalsContact C-N 3.33Å; H4-K6 PolarHBondContact O-N 3.46Å; H4-I7 WeakPolarHBondContact O-CB 3.39Å; H4-I7 PolarHBondContact O-N 2.87Å; H4-I7 VanDerWaalsContact O-N 3.13Å; H4-L8 PolarHBondContact O-N 2.91Å; H4-A39 VanDerWaalsContact CE1-CA 3.48Å; H4-A39 WeakPolarHBondContact CE1-CA 3.42Å; H4-E42 IonicContact CD2-OE2 3.05Å; H4-E42 IonicContact CE1-OE2 3.84Å; H4-E42 PolarHBondContact CE1-OE2 2.77Å; H4-E42 VanDerWaalsContact CE1-OE2 3.3Å; H4-E42 IonicContact NE2-OE1 2.61Å; H4-E42 IonicContact NE2-OE2 3.52Å; H4-E42 PolarHBondContact NE2-OE2 3.1Å
5Q84Confident86.7Confident83 Ų8369.8 Ų69.839%0.38835%0.348SS..Hα-helixtrans-62.9-39.9179-169.864.223.300112.1M1 S2 I7 L8 E9M1-Q5 HydrophobicContact CG-CB 4.16Å; M1-Q5 HydrophobicContact CG-CG 4.02Å; M1-Q5 HydrophobicContact SD-CB 4.4Å; M1-Q5 HydrophobicContact SD-CG 4.1Å; S2-Q5 PolarHBondContact O-N 3.08Å; S2-Q5 WeakPolarHBondContact OG-CB 3.45Å; S2-Q5 PolarHBondContact OG-N 2.92Å; Q5-I7 PolarHBondContact O-N 3.17Å; Q5-L8 PolarHBondContact O-N 2.93Å; Q5-E9 PolarHBondContact O-N 2.92Å
6K88.9Confident86.7Confident115 Ų11571.2 Ų71.250%0.536%0.361SS..Hα-helixtrans-60.1-32.9175.9-71-174.8177.3-169.40112.8M1 S2 H4 Y10M1-K6 HydrophobicContact CB-CG 4.5Å; M1-K6 HydrophobicContact SD-CG 3.71Å; S2-K6 PolarHBondContact O-N 3.17Å; S2-K6 VanDerWaalsContact O-N 3.16Å; H4-K6 VanDerWaalsContact C-N 3.33Å; H4-K6 PolarHBondContact O-N 3.46Å; K6-Y10 WeakPolarHBondContact O-CB 3.46Å; K6-Y10 PolarHBondContact O-N 3.08Å
7I91.8Very high86.7Confident0 Ų070.1 Ų70.10%037%0.372CS..Hα-helixtrans-71.8-42.8177.4-61157.5000110.5K3 H4 Q5 Y10 L11 I25 L29 V31 T35 A39K3-I7 WeakPolarHBondContact O-CD1 3.46Å; K3-I7 WeakPolarHBondContact O-CG1 3.38Å; K3-I7 PolarHBondContact O-N 3Å; H4-I7 WeakPolarHBondContact O-CB 3.39Å; H4-I7 PolarHBondContact O-N 2.87Å; H4-I7 VanDerWaalsContact O-N 3.13Å; Q5-I7 PolarHBondContact O-N 3.17Å; I7-Y10 WeakPolarHBondContact O-CB 3.44Å; I7-Y10 PolarHBondContact O-N 2.89Å; I7-L11 HydrophobicContact CG2-CD1 4.06Å; I7-L11 HydrophobicContact CG2-CG 4.34Å; I7-L11 VanDerWaalsContact O-CG 3.28Å; I7-L11 WeakPolarHBondContact O-CG 3.37Å; I7-L11 PolarHBondContact O-N 3.07Å; I7-I25 HydrophobicContact CB-CG2 4.45Å; I7-I25 HydrophobicContact CD1-CG2 4.4Å; I7-I25 HydrophobicContact CG1-CG2 4.05Å; I7-I25 HydrophobicContact CG2-CG2 3.56Å; I7-L29 HydrophobicContact CB-CD1 4.07Å; I7-L29 HydrophobicContact CG1-CD1 3.57Å; I7-L29 HydrophobicContact CG2-CD1 4.43Å; I7-V31 HydrophobicContact CD1-CG1 4.39Å; I7-V31 HydrophobicContact CD1-CG2 3.97Å; I7-V31 HydrophobicContact CG1-CG2 4.48Å; I7-T35 HydrophobicContact CD1-CG2 3.83Å; I7-A39 HydrophobicContact CB-CB 3.69Å; I7-A39 HydrophobicContact CD1-CB 3.77Å; I7-A39 HydrophobicContact CG1-CB 4.35Å; I7-A39 HydrophobicContact CG2-CB 3.42Å; I7-A39 VanDerWaalsContact CG2-CB 3.42Å
8L89.2Confident87Confident1 Ų173.1 Ų73.11%0.00538%0.381CS..Hα-helixtrans-61.7-45.4177.8-65.7174000111.4H4 Q5 Y10 L11 E12 E42 A43H4-L8 PolarHBondContact O-N 2.91Å; Q5-L8 PolarHBondContact O-N 2.93Å; L8-Y10 VanDerWaalsContact C-N 3.34Å; L8-Y10 PolarHBondContact O-N 3.13Å; L8-L11 PolarHBondContact O-N 2.62Å; L8-E12 WeakPolarHBondContact O-CG 3.48Å; L8-E12 PolarHBondContact O-N 3.08Å; L8-E42 WeakPolarHBondContact CD1-OE1 3.37Å; L8-E42 HydrophobicContact CD2-CB 4.44Å; L8-E42 HydrophobicContact CD2-CG 4.47Å; L8-A43 HydrophobicContact CD2-CB 3.92Å
9E89Confident87.2Confident86 Ų8679.6 Ų79.640%0.40240%0.4SS..Hα-helixtrans-62.3-40.5175.9-172.9177.7-165.600111.9M1 Q5 L11 E12 N13M1-E9 WeakPolarHBondContact CE-OE2 3.32Å; Q5-E9 PolarHBondContact O-N 2.92Å; E9-L11 PolarHBondContact O-N 3Å; E9-E12 PolarHBondContact O-N 2.84Å; E9-N13 PolarHBondContact O-N 2.79Å; E9-N13 PolarHBondContact O-ND2 3.39Å
10Y92.3Very high87.5Confident57 Ų5776.1 Ų76.122%0.22438%0.383CS..Hα-helixtrans-60.1-45.1172.6175.5-97.5000112K6 I7 L8 N13 L14 I25 H28 L29K6-Y10 WeakPolarHBondContact O-CB 3.46Å; K6-Y10 PolarHBondContact O-N 3.08Å; I7-Y10 WeakPolarHBondContact O-CB 3.44Å; I7-Y10 PolarHBondContact O-N 2.89Å; L8-Y10 VanDerWaalsContact C-N 3.34Å; L8-Y10 PolarHBondContact O-N 3.13Å; Y10-N13 PolarHBondContact O-N 3.2Å; Y10-L14 HydrophobicContact CD1-CD1 4.49Å; Y10-L14 HydrophobicContact CE1-CD1 4.03Å; Y10-L14 HydrophobicContact CE1-CD2 4.05Å; Y10-L14 HydrophobicContact CE1-CG 4.19Å; Y10-L14 HydrophobicContact CE2-CD2 4.44Å; Y10-L14 PolarHBondContact O-N 2.87Å; Y10-I25 HydrophobicContact CD1-CD1 3.52Å; Y10-I25 HydrophobicContact CE1-CD1 3.35Å; Y10-H28 AromaticContact CD2-CD2 3.92Å; Y10-H28 AromaticContact CE2-CD2 3.28Å; Y10-H28 WeakPolarHBondContact CE2-CD2 3.49Å; Y10-H28 AromaticContact CE2-NE2 3.37Å; Y10-H28 WeakPolarHBondContact CE2-NE2 3.42Å; Y10-H28 AromaticContact CZ-CD2 3.64Å; Y10-L29 HydrophobicContact CD1-CD1 4.33Å; Y10-L29 HydrophobicContact CD2-CD2 4.48Å; Y10-L29 HydrophobicContact CG-CD1 4.1Å
11L91.8Very high87.7Confident0 Ų075.3 Ų75.30%038%0.384CS..Hα-helixtrans-66.1-40179.5-69.3173.4000112.3I7 L8 E9 N13 L14 V20 I25 I40 A43 I48 V49 R59I7-L11 HydrophobicContact CG2-CD1 4.06Å; I7-L11 HydrophobicContact CG2-CG 4.34Å; I7-L11 VanDerWaalsContact O-CG 3.28Å; I7-L11 WeakPolarHBondContact O-CG 3.37Å; I7-L11 PolarHBondContact O-N 3.07Å; L8-L11 PolarHBondContact O-N 2.62Å; E9-L11 PolarHBondContact O-N 3Å; L11-N13 VanDerWaalsContact C-N 3.26Å; L11-N13 PolarHBondContact O-N 3.13Å; L11-L14 HydrophobicContact CD2-CD1 3.96Å; L11-L14 PolarHBondContact O-N 2.94Å; L11-V20 HydrophobicContact CD2-CB 4.35Å; L11-V20 HydrophobicContact CD2-CG1 3.55Å; L11-V20 HydrophobicContact CD2-CG2 3.79Å; L11-I25 HydrophobicContact CD2-CD1 3.84Å; L11-I40 HydrophobicContact CD1-CG1 4.43Å; L11-A43 HydrophobicContact CD1-CB 3.52Å; L11-I48 HydrophobicContact CB-CG2 4.01Å; L11-V49 HydrophobicContact CD2-CG1 4.32Å; L11-R59 WeakPolarHBondContact O-CD 3.42Å; L11-R59 PolarHBondContact O-NE 2.86Å
12E88Confident89.3Confident66 Ų6670 Ų7031%0.30836%0.361SS..Hα-helixtrans-61.7-35.7177.7-74.7-174.2144.400112.3L8 E9 I48 R59 K62L8-E12 WeakPolarHBondContact O-CG 3.48Å; L8-E12 PolarHBondContact O-N 3.08Å; E9-E12 PolarHBondContact O-N 2.84Å; E12-I48 HydrophobicContact CG-CD1 3.67Å; E12-I48 HydrophobicContact CG-CG1 4.05Å; E12-I48 HydrophobicContact CG-CG2 4.02Å; E12-R59 PolarHBondContact O-NE 2.6Å; E12-R59 PolarHBondContact O-NH2 2.88Å; E12-K62 IonicContact OE1-NZ 3.76Å; E12-K62 PolarHBondContact OE1-NZ 3.16Å
13N90.3Very high89.6Confident126 Ų12676 Ų7667%0.67437%0.373SS*.THydrogen-bonded Turntrans-85.5-2.3-179.1-70.6-49.6000114.8E9 Y10 L11E9-N13 PolarHBondContact O-N 2.79Å; E9-N13 PolarHBondContact O-ND2 3.39Å; Y10-N13 PolarHBondContact O-N 3.2Å; L11-N13 VanDerWaalsContact C-N 3.26Å; L11-N13 PolarHBondContact O-N 3.13Å
14L91.3Very high89.8Confident23 Ų2372.3 Ų72.312%0.1236%0.364CS..SBendtrans-69.3145.7173.4-74.7177.8000111.2Y10 L11 V16 K18 V20 R59Y10-L14 HydrophobicContact CD1-CD1 4.49Å; Y10-L14 HydrophobicContact CE1-CD1 4.03Å; Y10-L14 HydrophobicContact CE1-CD2 4.05Å; Y10-L14 HydrophobicContact CE1-CG 4.19Å; Y10-L14 HydrophobicContact CE2-CD2 4.44Å; Y10-L14 PolarHBondContact O-N 2.87Å; L11-L14 HydrophobicContact CD2-CD1 3.96Å; L11-L14 PolarHBondContact O-N 2.94Å; L14-V16 PolarHBondContact O-N 2.87Å; L14-K18 HydrophobicContact CB-CB 4.4Å; L14-K18 HydrophobicContact CD2-CG 4.3Å; L14-V20 HydrophobicContact CD1-CG2 3.79Å; L14-R59 HydrophobicContact CB-CB 4.21Å; L14-R59 HydrophobicContact CB-CG 3.96Å; L14-R59 WeakPolarHBondContact O-CG 3.27Å
15P89.7Confident90.1Very high90 Ų9070.3 Ų70.358%0.58436%0.355SS*.PPolyproline II helixtrans-57.5138.4168.9-23.233.1000111.4G17 K18 R59P15-G17 PolarHBondContact O-N 3.06Å; P15-K18 WeakPolarHBondContact O-CB 3.44Å; P15-K18 PolarHBondContact O-N 2.7Å; P15-R59 WeakPolarHBondContact O-CG 3.47Å
16V87.3Confident90.5Very high92 Ų9266.6 Ų66.656%0.55834%0.338SS*.THydrogen-bonded Turntrans-55.6134.2172.4179.90000109.5L14 E61L14-V16 PolarHBondContact O-N 2.87Å; V16-E61 HydrophobicContact CG1-CB 4.34Å; V16-E61 HydrophobicContact CG2-CB 4.15Å
17G86.9Confident90.5Very high52 Ų5267.3 Ų67.354%0.53635%0.347SS..THydrogen-bonded Turntrans90.8-10.1-174.500000115.1P15 R19 R59P15-G17 PolarHBondContact O-N 3.06Å; G17-R19 PolarHBondContact O-N 2.66Å; G17-R59 PolarHBondContact N-O 2.97Å
18K91.3Very high90.4Very high124 Ų12472.9 Ų72.954%0.53937%0.373SS..  trans-66.8129.1178.6-16774.4175-172.60110.9L14 P15 V58 R59L14-K18 HydrophobicContact CB-CB 4.4Å; L14-K18 HydrophobicContact CD2-CG 4.3Å; P15-K18 WeakPolarHBondContact O-CB 3.44Å; P15-K18 PolarHBondContact O-N 2.7Å; K18-V58 WeakPolarHBondContact O-CA 3.14Å; K18-R59 HydrophobicContact CB-CB 4.46Å; K18-R59 PolarHBondContact O-N 2.98Å
19R92Very high90.5Very high197 Ų19775.3 Ų75.374%0.74339%0.386SS*.EExtended strand (participates in β ladder)trans-67138173-76.3-168.6-68.6179-2.6111.5G17 V58G17-R19 PolarHBondContact O-N 2.66Å; R19-V58 HydrophobicContact CG-CG1 3.98Å
20V91.5Very high90.6Very high10 Ų1080 Ų806%0.06141%0.405CS..EExtended strand (participates in β ladder)trans-118.9132.7178.91800000108.4L11 L14 I25 I40 V49 T57L11-V20 HydrophobicContact CD2-CB 4.35Å; L11-V20 HydrophobicContact CD2-CG1 3.55Å; L11-V20 HydrophobicContact CD2-CG2 3.79Å; L14-V20 HydrophobicContact CD1-CG2 3.79Å; V20-I25 HydrophobicContact CG1-CD1 4.21Å; V20-I25 HydrophobicContact CG1-CG1 4Å; V20-I40 HydrophobicContact CG1-CD1 3.93Å; V20-I40 HydrophobicContact CG1-CG1 4.02Å; V20-V49 HydrophobicContact CG2-CG1 4.18Å; V20-T57 HydrophobicContact CB-CG2 4.33Å; V20-T57 PolarHBondContact N-O 2.83Å
21S93.2Very high90.6Very high59 Ų5978 Ų7841%0.41340%0.399SS..  trans-137.4149.7173.673.40000110.5R23 S24 I25S21-R23 VanDerWaalsContact C-N 3.28Å; S21-R23 PolarHBondContact O-N 2.94Å; S21-S24 WeakPolarHBondContact O-CB 3.2Å; S21-S24 PolarHBondContact O-N 3.11Å; S21-S24 VanDerWaalsContact O-N 3.08Å; S21-S24 VanDerWaalsContact OG-CB 3.24Å; S21-S24 WeakPolarHBondContact OG-CB 3.3Å; S21-S24 PolarHBondContact OG-N 2.86Å; S21-S24 VanDerWaalsContact OG-N 3.15Å; S21-I25 WeakPolarHBondContact O-CG1 3.33Å; S21-I25 PolarHBondContact O-N 2.91Å
22V93.2Very high90.6Very high43 Ų4381.5 Ų81.526%0.26142%0.423SS..Hα-helixtrans-51.1-50.4177.7177.20000110.2S24 I25 S26 D33 A36 Y37 I40V22-S24 PolarHBondContact O-N 3.08Å; V22-I25 PolarHBondContact O-N 3.14Å; V22-S26 WeakPolarHBondContact O-CB 3.36Å; V22-S26 PolarHBondContact O-N 3.29Å; V22-S26 PolarHBondContact O-OG 2.83Å; V22-D33 HydrophobicContact CG1-CB 3.82Å; V22-D33 WeakPolarHBondContact CG1-O 3.43Å; V22-A36 HydrophobicContact CG1-CB 4.05Å; V22-Y37 HydrophobicContact CG2-CD2 4.04Å; V22-I40 HydrophobicContact CG2-CD1 3.98Å
23R91Very high90.8Very high194 Ų19482.5 Ų82.573%0.73243%0.43SS*.Hα-helixtrans-59.5-41.6178.6-69.7-177.1179.8173.10.2113.3S21 I25 N27S21-R23 VanDerWaalsContact C-N 3.28Å; S21-R23 PolarHBondContact O-N 2.94Å; R23-I25 VanDerWaalsContact C-N 3.34Å; R23-I25 PolarHBondContact O-N 2.77Å; R23-N27 WeakPolarHBondContact O-CB 3.43Å; R23-N27 VanDerWaalsContact O-CG 3.25Å; R23-N27 PolarHBondContact O-N 2.82Å; R23-N27 PolarHBondContact O-ND2 2.92Å
24S88.8Confident90.8Very high56 Ų5678.6 Ų78.639%0.39242%0.42SS..Hα-helixtrans-62.5-43.3178.6-174.70000111.2S21 V22 H28S21-S24 WeakPolarHBondContact O-CB 3.2Å; S21-S24 PolarHBondContact O-N 3.11Å; S21-S24 VanDerWaalsContact O-N 3.08Å; S21-S24 VanDerWaalsContact OG-CB 3.24Å; S21-S24 WeakPolarHBondContact OG-CB 3.3Å; S21-S24 PolarHBondContact OG-N 2.86Å; S21-S24 VanDerWaalsContact OG-N 3.15Å; V22-S24 PolarHBondContact O-N 3.08Å; S24-H28 WeakPolarHBondContact O-CB 3.48Å; S24-H28 PolarHBondContact O-N 2.87Å
25I91.6Very high90.8Very high2 Ų279.3 Ų79.31%0.0143%0.426CS..Hα-helixtrans-69.3-47.3179.6-63.2-59.3000111.1I7 Y10 L11 V20 S21 V22 R23 N27 H28 L29 A36 I40I7-I25 HydrophobicContact CB-CG2 4.45Å; I7-I25 HydrophobicContact CD1-CG2 4.4Å; I7-I25 HydrophobicContact CG1-CG2 4.05Å; I7-I25 HydrophobicContact CG2-CG2 3.56Å; Y10-I25 HydrophobicContact CD1-CD1 3.52Å; Y10-I25 HydrophobicContact CE1-CD1 3.35Å; L11-I25 HydrophobicContact CD2-CD1 3.84Å; V20-I25 HydrophobicContact CG1-CD1 4.21Å; V20-I25 HydrophobicContact CG1-CG1 4Å; S21-I25 WeakPolarHBondContact O-CG1 3.33Å; S21-I25 PolarHBondContact O-N 2.91Å; V22-I25 PolarHBondContact O-N 3.14Å; R23-I25 VanDerWaalsContact C-N 3.34Å; R23-I25 PolarHBondContact O-N 2.77Å; I25-N27 VanDerWaalsContact C-N 3.33Å; I25-N27 PolarHBondContact O-N 2.95Å; I25-H28 PolarHBondContact O-N 3.32Å; I25-L29 HydrophobicContact CG2-CD1 4.22Å; I25-L29 PolarHBondContact O-N 2.87Å; I25-A36 HydrophobicContact CB-CB 4.03Å; I25-A36 HydrophobicContact CG2-CB 3.71Å; I25-I40 HydrophobicContact CG1-CD1 4.21Å
26S91.3Very high90.9Very high5 Ų575 Ų754%0.03540%0.398CS..Hα-helixtrans-55.9-47.1178.2-620000112.2V22 K30 V31 D33 A36V22-S26 WeakPolarHBondContact O-CB 3.36Å; V22-S26 PolarHBondContact O-N 3.29Å; V22-S26 PolarHBondContact O-OG 2.83Å; S26-K30 VanDerWaalsContact O-CA 3.23Å; S26-K30 WeakPolarHBondContact O-CA 3.46Å; S26-K30 PolarHBondContact O-N 2.91Å; S26-V31 WeakPolarHBondContact CA-O 3.48Å; S26-V31 WeakPolarHBondContact CB-O 3.31Å; S26-V31 PolarHBondContact O-N 2.97Å; S26-V31 VanDerWaalsContact O-N 3.12Å; S26-D33 WeakPolarHBondContact CB-OD1 3.37Å; S26-D33 WeakPolarHBondContact OG-CA 3.12Å; S26-D33 PolarHBondContact OG-OD1 3Å; S26-A36 WeakPolarHBondContact OG-CB 3.2Å
27N89.9Confident91.2Very high130 Ų13076.8 Ų76.870%0.69540%0.395SS*.Hα-helixtrans-69.6-43.9-179.3-71.8-13.3000112.2R23 I25R23-N27 WeakPolarHBondContact O-CB 3.43Å; R23-N27 VanDerWaalsContact O-CG 3.25Å; R23-N27 PolarHBondContact O-N 2.82Å; R23-N27 PolarHBondContact O-ND2 2.92Å; I25-N27 VanDerWaalsContact C-N 3.33Å; I25-N27 PolarHBondContact O-N 2.95Å
28H89.5Confident91.3Very high117 Ų11783.3 Ų83.354%0.54240%0.404SS..Hα-helixtrans-69-41.5-176-167.276.4000112.2Y10 S24 I25Y10-H28 AromaticContact CD2-CD2 3.92Å; Y10-H28 AromaticContact CE2-CD2 3.28Å; Y10-H28 WeakPolarHBondContact CE2-CD2 3.49Å; Y10-H28 AromaticContact CE2-NE2 3.37Å; Y10-H28 WeakPolarHBondContact CE2-NE2 3.42Å; Y10-H28 AromaticContact CZ-CD2 3.64Å; S24-H28 WeakPolarHBondContact O-CB 3.48Å; S24-H28 PolarHBondContact O-N 2.87Å; I25-H28 PolarHBondContact O-N 3.32Å
29L91.3Very high91.3Very high53 Ų5377.4 Ų77.428%0.27738%0.378SS..Hα-helixtrans-1002-175.7-63.2175.3000113.8I7 Y10 I25 V31I7-L29 HydrophobicContact CB-CD1 4.07Å; I7-L29 HydrophobicContact CG1-CD1 3.57Å; I7-L29 HydrophobicContact CG2-CD1 4.43Å; Y10-L29 HydrophobicContact CD1-CD1 4.33Å; Y10-L29 HydrophobicContact CD2-CD2 4.48Å; Y10-L29 HydrophobicContact CG-CD1 4.1Å; I25-L29 HydrophobicContact CG2-CD1 4.22Å; I25-L29 PolarHBondContact O-N 2.87Å; L29-V31 VanDerWaalsContact C-N 3.35Å; L29-V31 HydrophobicContact CB-CG1 4.2Å; L29-V31 HydrophobicContact CB-CG2 4.43Å; L29-V31 PolarHBondContact O-N 2.95Å
30K91.5Very high91.3Very high183 Ų18368.5 Ų68.580%0.79635%0.345SS*.THydrogen-bonded Turntrans52.250.5-178.2-57.9-177.5-179.6-178.60112S26S26-K30 VanDerWaalsContact O-CA 3.23Å; S26-K30 WeakPolarHBondContact O-CA 3.46Å; S26-K30 PolarHBondContact O-N 2.91Å
31V91.5Very high91.2Very high17 Ų1771.9 Ų71.910%0.10336%0.359CS..  trans-117.7161.6178.2-59.80000110.9K3 I7 S26 L29 T35 A36K3-V31 HydrophobicContact CB-CG1 4.06Å; K3-V31 HydrophobicContact CD-CG1 4.13Å; K3-V31 HydrophobicContact CG-CG1 4.27Å; I7-V31 HydrophobicContact CD1-CG1 4.39Å; I7-V31 HydrophobicContact CD1-CG2 3.97Å; I7-V31 HydrophobicContact CG1-CG2 4.48Å; S26-V31 WeakPolarHBondContact CA-O 3.48Å; S26-V31 WeakPolarHBondContact CB-O 3.31Å; S26-V31 PolarHBondContact O-N 2.97Å; S26-V31 VanDerWaalsContact O-N 3.12Å; L29-V31 VanDerWaalsContact C-N 3.35Å; L29-V31 HydrophobicContact CB-CG1 4.2Å; L29-V31 HydrophobicContact CB-CG2 4.43Å; L29-V31 PolarHBondContact O-N 2.95Å; V31-T35 HydrophobicContact CB-CG2 4.49Å; V31-A36 HydrophobicContact CG2-CB 4.17Å
32S92.3Very high91Very high72 Ų7271.8 Ų71.850%0.50335%0.352SS..  trans-70.7151.1174.262.30000111.8G34 T35 A36S32-G34 PolarHBondContact O-N 3.37Å; S32-T35 WeakPolarHBondContact O-CB 3.2Å; S32-T35 PolarHBondContact O-N 3.24Å; S32-T35 PolarHBondContact OG-N 3.48Å; S32-T35 PolarHBondContact OG-OG1 3.07Å; S32-A36 PolarHBondContact O-N 2.83Å
33D91.9Very high90.8Very high87 Ų8769.8 Ų69.847%0.46534%0.34SS..Hα-helixtrans-55-36.9176.3-74.1-6.7000112.7V22 S26 A36 Y37V22-D33 HydrophobicContact CG1-CB 3.82Å; V22-D33 WeakPolarHBondContact CG1-O 3.43Å; S26-D33 WeakPolarHBondContact CB-OD1 3.37Å; S26-D33 WeakPolarHBondContact OG-CA 3.12Å; S26-D33 PolarHBondContact OG-OD1 3Å; D33-A36 PolarHBondContact O-N 3.32Å; D33-Y37 VanDerWaalsContact O-CB 3.29Å; D33-Y37 WeakPolarHBondContact O-CB 3.32Å; D33-Y37 PolarHBondContact O-N 2.91Å
34G90Very high90.6Very high45 Ų4562.8 Ų62.846%0.46432%0.316SS..Hα-helixtrans-64.5-38.5175.200000113.5S32 R38S32-G34 PolarHBondContact O-N 3.37Å; G34-R38 WeakPolarHBondContact O-CG 3.09Å; G34-R38 PolarHBondContact O-N 2.83Å; G34-R38 VanDerWaalsContact O-N 3.14Å
35T91.2Very high90.2Very high38 Ų3867 Ų6723%0.23333%0.334CS..Hα-helixtrans-69.1-43.3175.5-52.80000110.6K3 I7 V31 S32 R38 A39K3-T35 HydrophobicContact CB-CG2 4.38Å; I7-T35 HydrophobicContact CD1-CG2 3.83Å; V31-T35 HydrophobicContact CB-CG2 4.49Å; S32-T35 WeakPolarHBondContact O-CB 3.2Å; S32-T35 PolarHBondContact O-N 3.24Å; S32-T35 PolarHBondContact OG-N 3.48Å; S32-T35 PolarHBondContact OG-OG1 3.07Å; T35-R38 PolarHBondContact O-N 3.34Å; T35-A39 WeakPolarHBondContact O-CB 3.32Å; T35-A39 PolarHBondContact O-N 2.84Å; T35-A39 VanDerWaalsContact O-N 3.09Å
36A92.7Very high89.7Confident0 Ų072.7 Ų72.70%036%0.355CS..Hα-helixtrans-62.1-45176.300000112.3V22 I25 S26 V31 S32 D33 A39 I40V22-A36 HydrophobicContact CG1-CB 4.05Å; I25-A36 HydrophobicContact CB-CB 4.03Å; I25-A36 HydrophobicContact CG2-CB 3.71Å; S26-A36 WeakPolarHBondContact OG-CB 3.2Å; V31-A36 HydrophobicContact CG2-CB 4.17Å; S32-A36 PolarHBondContact O-N 2.83Å; D33-A36 PolarHBondContact O-N 3.32Å; A36-A39 PolarHBondContact O-N 3.1Å; A36-I40 VanDerWaalsContact O-CG1 3.3Å; A36-I40 WeakPolarHBondContact O-CG1 3.27Å; A36-I40 PolarHBondContact O-N 3.41Å
37Y92.4Very high89.1Confident128 Ų12873.5 Ų73.550%0.50236%0.364SS..Hα-helixtrans-61.6-46.1178.2-180-100000112.4V22 D33 A39 I40 K41V22-Y37 HydrophobicContact CG2-CD2 4.04Å; D33-Y37 VanDerWaalsContact O-CB 3.29Å; D33-Y37 WeakPolarHBondContact O-CB 3.32Å; D33-Y37 PolarHBondContact O-N 2.91Å; Y37-A39 VanDerWaalsContact C-N 3.35Å; Y37-A39 PolarHBondContact O-N 2.87Å; Y37-I40 PolarHBondContact O-N 3.02Å; Y37-K41 HydrophobicContact CE1-CG 4.09Å; Y37-K41 HydrophobicContact CE2-CG 4.41Å; Y37-K41 PolarHBondContact O-N 3.17Å
38R89.4Confident89Confident189 Ų18967.3 Ų67.371%0.71333%0.331SS*.Hα-helixtrans-61-42.7176.8-77.8-178.6168.7-173.1-3.2112.2G34 T35 K41 E42G34-R38 WeakPolarHBondContact O-CG 3.09Å; G34-R38 PolarHBondContact O-N 2.83Å; G34-R38 VanDerWaalsContact O-N 3.14Å; T35-R38 PolarHBondContact O-N 3.34Å; R38-K41 PolarHBondContact O-N 3.49Å; R38-E42 PolarHBondContact O-N 3.04Å
39A92.2Very high89.1Confident0 Ų061.8 Ų61.80%031%0.306CS..Hα-helixtrans-66.8-38.2177.400000112.7H4 I7 T35 A36 Y37 E42 A43H4-A39 VanDerWaalsContact CE1-CA 3.48Å; H4-A39 WeakPolarHBondContact CE1-CA 3.42Å; I7-A39 HydrophobicContact CB-CB 3.69Å; I7-A39 HydrophobicContact CD1-CB 3.77Å; I7-A39 HydrophobicContact CG1-CB 4.35Å; I7-A39 HydrophobicContact CG2-CB 3.42Å; I7-A39 VanDerWaalsContact CG2-CB 3.42Å; T35-A39 WeakPolarHBondContact O-CB 3.32Å; T35-A39 PolarHBondContact O-N 2.84Å; T35-A39 VanDerWaalsContact O-N 3.09Å; A36-A39 PolarHBondContact O-N 3.1Å; Y37-A39 VanDerWaalsContact C-N 3.35Å; Y37-A39 PolarHBondContact O-N 2.87Å; A39-E42 PolarHBondContact O-N 3.36Å; A39-A43 VanDerWaalsContact O-CB 3.28Å; A39-A43 WeakPolarHBondContact O-CB 3.38Å; A39-A43 PolarHBondContact O-N 3.26Å
40I91.9Very high89Confident10 Ų1062.6 Ų62.65%0.05131%0.308CS..Hα-helixtrans-63.9-42.8174.3-70.1166.3000110.9L11 V20 V22 I25 A36 Y37 E42 A43 E44 V49 T57L11-I40 HydrophobicContact CD1-CG1 4.43Å; V20-I40 HydrophobicContact CG1-CD1 3.93Å; V20-I40 HydrophobicContact CG1-CG1 4.02Å; V22-I40 HydrophobicContact CG2-CD1 3.98Å; I25-I40 HydrophobicContact CG1-CD1 4.21Å; A36-I40 VanDerWaalsContact O-CG1 3.3Å; A36-I40 WeakPolarHBondContact O-CG1 3.27Å; A36-I40 PolarHBondContact O-N 3.41Å; Y37-I40 PolarHBondContact O-N 3.02Å; I40-E42 VanDerWaalsContact C-N 3.34Å; I40-E42 PolarHBondContact O-N 2.84Å; I40-A43 PolarHBondContact O-N 3.08Å; I40-E44 WeakPolarHBondContact O-CB 3.04Å; I40-E44 PolarHBondContact O-N 2.8Å; I40-V49 HydrophobicContact CG2-CG2 4.43Å; I40-T57 HydrophobicContact CG2-CG2 4.03Å
41K89.7Confident88.9Confident82 Ų8257 Ų5736%0.35729%0.289SS..Hα-helixtrans-64.7-38.2177-81-73.1166.2-161.60112.7Y37 R38 E44 N45Y37-K41 HydrophobicContact CE1-CG 4.09Å; Y37-K41 HydrophobicContact CE2-CG 4.41Å; Y37-K41 PolarHBondContact O-N 3.17Å; R38-K41 PolarHBondContact O-N 3.49Å; K41-E44 IonicContact NZ-OE2 2.68Å; K41-E44 PolarHBondContact NZ-OE2 3.3Å; K41-E44 PolarHBondContact O-N 3.43Å; K41-N45 PolarHBondContact O-N 3.11Å
42E88.4Confident88.5Confident57 Ų5761.9 Ų61.927%0.26631%0.306SS..Hα-helixtrans-68-40.6172.9-174.1172.214200112.2H4 L8 R38 A39 I40 E44 N45 R46H4-E42 IonicContact CD2-OE2 3.05Å; H4-E42 IonicContact CE1-OE2 3.84Å; H4-E42 PolarHBondContact CE1-OE2 2.77Å; H4-E42 VanDerWaalsContact CE1-OE2 3.3Å; H4-E42 IonicContact NE2-OE1 2.61Å; H4-E42 IonicContact NE2-OE2 3.52Å; H4-E42 PolarHBondContact NE2-OE2 3.1Å; L8-E42 WeakPolarHBondContact CD1-OE1 3.37Å; L8-E42 HydrophobicContact CD2-CB 4.44Å; L8-E42 HydrophobicContact CD2-CG 4.47Å; R38-E42 PolarHBondContact O-N 3.04Å; A39-E42 PolarHBondContact O-N 3.36Å; I40-E42 VanDerWaalsContact C-N 3.34Å; I40-E42 PolarHBondContact O-N 2.84Å; E42-E44 VanDerWaalsContact C-N 3.27Å; E42-E44 PolarHBondContact O-N 3.36Å; E42-N45 PolarHBondContact O-N 3.49Å; E42-R46 WeakPolarHBondContact O-CB 3.23Å; E42-R46 VanDerWaalsContact O-CG 3.32Å; E42-R46 WeakPolarHBondContact O-CG 3.46Å; E42-R46 PolarHBondContact O-N 2.74Å; E42-R46 IonicContact OE1-CZ 3.92Å; E42-R46 IonicContact OE1-NE 2.74Å; E42-R46 PolarHBondContact OE1-NE 3.01Å; E42-R46 IonicContact OE1-NH1 2.82Å; E42-R46 IonicContact OE1-NH2 3.28Å; E42-R46 PolarHBondContact OE1-NH2 3.12Å
43A88.9Confident87.9Confident0 Ų064.3 Ų64.30%032%0.32CS..Hα-helixtrans-62.1-36.3174.700000112.1L8 L11 A39 I40 R46 G47 I48 V49L8-A43 HydrophobicContact CD2-CB 3.92Å; L11-A43 HydrophobicContact CD1-CB 3.52Å; A39-A43 VanDerWaalsContact O-CB 3.28Å; A39-A43 WeakPolarHBondContact O-CB 3.38Å; A39-A43 PolarHBondContact O-N 3.26Å; I40-A43 PolarHBondContact O-N 3.08Å; A43-R46 PolarHBondContact O-N 2.85Å; A43-G47 PolarHBondContact O-N 3.06Å; A43-I48 HydrophobicContact CB-CB 4.09Å; A43-I48 HydrophobicContact CB-CD1 4.3Å; A43-I48 HydrophobicContact CB-CG2 4.49Å; A43-I48 WeakPolarHBondContact O-CB 3.34Å; A43-I48 PolarHBondContact O-N 3.47Å; A43-V49 HydrophobicContact CB-CG2 3.87Å; A43-V49 PolarHBondContact O-N 3.21Å
44E87.1Confident87.1Confident48 Ų4872.6 Ų72.622%0.22434%0.344CS..Hα-helixtrans-63.7-47.9173.2-174.7169.1-129.600111I40 K41 E42 R46 G47 V49 T51I40-E44 WeakPolarHBondContact O-CB 3.04Å; I40-E44 PolarHBondContact O-N 2.8Å; K41-E44 IonicContact NZ-OE2 2.68Å; K41-E44 PolarHBondContact NZ-OE2 3.3Å; K41-E44 PolarHBondContact O-N 3.43Å; E42-E44 VanDerWaalsContact C-N 3.27Å; E42-E44 PolarHBondContact O-N 3.36Å; E44-R46 PolarHBondContact O-N 2.95Å; E44-G47 PolarHBondContact O-N 3Å; E44-V49 WeakPolarHBondContact CA-O 3.27Å; E44-V49 HydrophobicContact CB-CG2 4.07Å; E44-T51 WeakPolarHBondContact OE1-CB 3.35Å; E44-T51 PolarHBondContact OE1-N 3.17Å; E44-T51 PolarHBondContact OE1-OG1 3.3Å
45N79.1Confident86.4Confident144 Ų14473.9 Ų73.977%0.7735%0.346SS*.Hα-helixtrans-62.7-26.4175.3-70-16.7000113.5K41 E42 G47K41-N45 PolarHBondContact O-N 3.11Å; E42-N45 PolarHBondContact O-N 3.49Å; N45-G47 VanDerWaalsContact C-N 3.35Å
46R81.6Confident86.2Confident121 Ų12173.7 Ų73.746%0.45735%0.352SS..THydrogen-bonded Turntrans-87.30.3176.1-69.7179.3-177.3-1582113.7E42 A43 E44 I48E42-R46 WeakPolarHBondContact O-CB 3.23Å; E42-R46 VanDerWaalsContact O-CG 3.32Å; E42-R46 WeakPolarHBondContact O-CG 3.46Å; E42-R46 PolarHBondContact O-N 2.74Å; E42-R46 IonicContact OE1-CZ 3.92Å; E42-R46 IonicContact OE1-NE 2.74Å; E42-R46 PolarHBondContact OE1-NE 3.01Å; E42-R46 IonicContact OE1-NH1 2.82Å; E42-R46 IonicContact OE1-NH2 3.28Å; E42-R46 PolarHBondContact OE1-NH2 3.12Å; A43-R46 PolarHBondContact O-N 2.85Å; E44-R46 PolarHBondContact O-N 2.95Å; R46-I48 HydrophobicContact CB-CD1 3.87Å; R46-I48 HydrophobicContact CB-CG1 4.01Å; R46-I48 PolarHBondContact O-N 3.01Å
47G79.6Confident86.1Confident22 Ų2274.8 Ų74.823%0.22736%0.359CS..THydrogen-bonded Turntrans67.322.7-177.200000114.1A43 E44 N45 I60A43-G47 PolarHBondContact O-N 3.06Å; E44-G47 PolarHBondContact O-N 3Å; N45-G47 VanDerWaalsContact C-N 3.35Å; G47-I60 WeakPolarHBondContact O-CD1 3.45Å
48I87.4Confident86.1Confident0 Ų069.5 Ų69.50%034%0.34CS..SBendtrans-81.7-40.1175.7-59.7165.5000109.3L11 E12 A43 R46 R59 I60L11-I48 HydrophobicContact CB-CG2 4.01Å; E12-I48 HydrophobicContact CG-CD1 3.67Å; E12-I48 HydrophobicContact CG-CG1 4.05Å; E12-I48 HydrophobicContact CG-CG2 4.02Å; A43-I48 HydrophobicContact CB-CB 4.09Å; A43-I48 HydrophobicContact CB-CD1 4.3Å; A43-I48 HydrophobicContact CB-CG2 4.49Å; A43-I48 WeakPolarHBondContact O-CB 3.34Å; A43-I48 PolarHBondContact O-N 3.47Å; R46-I48 HydrophobicContact CB-CD1 3.87Å; R46-I48 HydrophobicContact CB-CG1 4.01Å; R46-I48 PolarHBondContact O-N 3.01Å; I48-R59 VanDerWaalsContact O-CD 3.24Å; I48-R59 WeakPolarHBondContact O-CD 3.42Å; I48-R59 PolarHBondContact O-NH1 2.78Å; I48-I60 WeakPolarHBondContact O-CG1 3.3Å; I48-I60 PolarHBondContact O-N 3.07Å; I48-I60 VanDerWaalsContact O-N 3.16Å
49V91.1Very high86.2Confident2 Ų261.5 Ų61.51%0.01231%0.309CS..EExtended strand (participates in β ladder)trans-129.4160.1178.6-58.30000110.8L11 V20 I40 A43 E44 T57 V58L11-V49 HydrophobicContact CD2-CG1 4.32Å; V20-V49 HydrophobicContact CG2-CG1 4.18Å; I40-V49 HydrophobicContact CG2-CG2 4.43Å; A43-V49 HydrophobicContact CB-CG2 3.87Å; A43-V49 PolarHBondContact O-N 3.21Å; E44-V49 WeakPolarHBondContact CA-O 3.27Å; E44-V49 HydrophobicContact CB-CG2 4.07Å; V49-T57 HydrophobicContact CB-CG2 3.68Å; V49-T57 HydrophobicContact CG1-CG2 4.49Å; V49-T57 HydrophobicContact CG2-CG2 3.61Å; V49-V58 CarbonylContact C-O 3.44Å; V49-V58 WeakPolarHBondContact CA-O 3.27Å; V49-V58 WeakPolarHBondContact CB-O 3.46Å
50E89.8Confident85.9Confident70 Ų7062.7 Ų62.733%0.32732%0.315SS..EExtended strand (participates in β ladder)trans-134.1131.6177.6-170.4-163.8136.900109.6R52 T57 V58 I60E50-R52 HydrophobicContact CG-CG 4.43Å; E50-R52 WeakPolarHBondContact OE1-CG 3.17Å; E50-R52 IonicContact OE1-CZ 3.06Å; E50-R52 IonicContact OE1-NE 2.74Å; E50-R52 PolarHBondContact OE1-NE 3.2Å; E50-R52 IonicContact OE1-NH2 2.6Å; E50-R52 IonicContact OE2-CZ 2.7Å; E50-R52 IonicContact OE2-NE 2.72Å; E50-R52 IonicContact OE2-NH2 3.79Å; E50-R52 PolarHBondContact OE2-NH2 3.2Å; E50-T57 CarbonylContact O-C 3.55Å; E50-T57 WeakPolarHBondContact O-CA 3.39Å; E50-V58 PolarHBondContact N-O 3.13Å; E50-V58 PolarHBondContact O-N 3.49Å; E50-I60 HydrophobicContact CB-CD1 4.13Å; E50-I60 HydrophobicContact CB-CG1 4.43Å; E50-I60 HydrophobicContact CB-CG2 3.61Å
51T88.8Confident85.3Confident65 Ų6569.3 Ų69.340%0.39935%0.346SS..EExtended strand (participates in β ladder)trans-88.5115.2172.3-53.70000110.6E44 T57E44-T51 WeakPolarHBondContact OE1-CB 3.35Å; E44-T51 PolarHBondContact OE1-N 3.17Å; E44-T51 PolarHBondContact OE1-OG1 3.3Å; T51-T57 PolarHBondContact OG1-OG1 2.84Å
52R83.3Confident84Confident120 Ų12070.5 Ų70.545%0.45335%0.352SS..EExtended strand (participates in β ladder)trans-102.3141177.9-67-174.6176.7174.66.9111.4E50 R54 S55 G56E50-R52 HydrophobicContact CG-CG 4.43Å; E50-R52 WeakPolarHBondContact OE1-CG 3.17Å; E50-R52 IonicContact OE1-CZ 3.06Å; E50-R52 IonicContact OE1-NE 2.74Å; E50-R52 PolarHBondContact OE1-NE 3.2Å; E50-R52 IonicContact OE1-NH2 2.6Å; E50-R52 IonicContact OE2-CZ 2.7Å; E50-R52 IonicContact OE2-NE 2.72Å; E50-R52 IonicContact OE2-NH2 3.79Å; E50-R52 PolarHBondContact OE2-NH2 3.2Å; R52-R54 PolarHBondContact O-N 3.29Å; R52-S55 PolarHBondContact O-N 2.94Å; R52-G56 PolarHBondContact N-O 3.07Å; R52-G56 PolarHBondContact O-N 3.46Å
53P78.8Confident82.3Confident122 Ų12274.9 Ų74.979%0.79237%0.37SS*.THydrogen-bonded Turntrans-52.1133.5170.3-2433.1000110.7S55P53-S55 PolarHBondContact O-N 2.91Å
54R75.5Confident80.1Confident261 Ų26180.4 Ų80.499%0.98541%0.405SS*.THydrogen-bonded Turntrans67.6-30.1-179.6-53178.6-179.9173.1-0.1117R52R52-R54 PolarHBondContact O-N 3.29Å
55S75.6Confident77.8Confident72 Ų7282.4 Ų82.450%0.50343%0.43SS..THydrogen-bonded Turntrans-89.7-17.1-177.2-570000114.2R52 P53R52-S55 PolarHBondContact O-N 2.94Å; P53-S55 PolarHBondContact O-N 2.91Å
56G86.7Confident76Confident34 Ų3481.2 Ų81.235%0.35143%0.428SS..EExtended strand (participates in β ladder)trans80.9-165.6-17500000112.4R52R52-G56 PolarHBondContact N-O 3.07Å; R52-G56 PolarHBondContact O-N 3.46Å
57T91.4Very high74.4Confident23 Ų2385.8 Ų85.814%0.14145%0.445CS..EExtended strand (participates in β ladder)trans-82.1131.8178.7-510000110.7V20 I40 V49 E50 T51V20-T57 HydrophobicContact CB-CG2 4.33Å; V20-T57 PolarHBondContact N-O 2.83Å; I40-T57 HydrophobicContact CG2-CG2 4.03Å; V49-T57 HydrophobicContact CB-CG2 3.68Å; V49-T57 HydrophobicContact CG1-CG2 4.49Å; V49-T57 HydrophobicContact CG2-CG2 3.61Å; E50-T57 CarbonylContact O-C 3.55Å; E50-T57 WeakPolarHBondContact O-CA 3.39Å; T51-T57 PolarHBondContact OG1-OG1 2.84Å
58V91.9Very high73.1Confident17 Ų1790 Ų9010%0.10346%0.461CS..EExtended strand (participates in β ladder)trans-128.3146.6-179.2-69.10000111.3K18 R19 V49 E50 I60K18-V58 WeakPolarHBondContact O-CA 3.14Å; R19-V58 HydrophobicContact CG-CG1 3.98Å; V49-V58 CarbonylContact C-O 3.44Å; V49-V58 WeakPolarHBondContact CA-O 3.27Å; V49-V58 WeakPolarHBondContact CB-O 3.46Å; E50-V58 PolarHBondContact N-O 3.13Å; E50-V58 PolarHBondContact O-N 3.49Å; V58-I60 HydrophobicContact CG2-CG2 4.27Å; V58-I60 PolarHBondContact O-N 2.93Å
59R91Very high71.9Confident21 Ų2191.9 Ų91.98%0.07947%0.47CS..EExtended strand (participates in β ladder)trans-65.1120.5167.9178.259.2174.71213.6108.7L11 E12 L14 P15 G17 K18 I48L11-R59 WeakPolarHBondContact O-CD 3.42Å; L11-R59 PolarHBondContact O-NE 2.86Å; E12-R59 PolarHBondContact O-NE 2.6Å; E12-R59 PolarHBondContact O-NH2 2.88Å; L14-R59 HydrophobicContact CB-CB 4.21Å; L14-R59 HydrophobicContact CB-CG 3.96Å; L14-R59 WeakPolarHBondContact O-CG 3.27Å; P15-R59 WeakPolarHBondContact O-CG 3.47Å; G17-R59 PolarHBondContact N-O 2.97Å; K18-R59 HydrophobicContact CB-CB 4.46Å; K18-R59 PolarHBondContact O-N 2.98Å; I48-R59 VanDerWaalsContact O-CD 3.24Å; I48-R59 WeakPolarHBondContact O-CD 3.42Å; I48-R59 PolarHBondContact O-NH1 2.78Å
60I86.8Confident71.3Confident25 Ų2598.4 Ų98.413%0.12849%0.494CS..PPolyproline II helixtrans-102.6161.9173.854.6164.9000109.1G47 I48 E50 V58 K62G47-I60 WeakPolarHBondContact O-CD1 3.45Å; I48-I60 WeakPolarHBondContact O-CG1 3.3Å; I48-I60 PolarHBondContact O-N 3.07Å; I48-I60 VanDerWaalsContact O-N 3.16Å; E50-I60 HydrophobicContact CB-CD1 4.13Å; E50-I60 HydrophobicContact CB-CG1 4.43Å; E50-I60 HydrophobicContact CB-CG2 3.61Å; V58-I60 HydrophobicContact CG2-CG2 4.27Å; V58-I60 PolarHBondContact O-N 2.93Å; I60-K62 PolarHBondContact O-N 2.95Å
61E79.3Confident71.3Confident150 Ų15095.3 Ų95.370%0.70148%0.48SS*.PPolyproline II helixtrans-60.4132.6165.4-168.6162-148.200108V16 K63V16-E61 HydrophobicContact CG1-CB 4.34Å; V16-E61 HydrophobicContact CG2-CB 4.15Å; E61-K63 VanDerWaalsContact C-N 3.29Å; E61-K63 PolarHBondContact O-N 3.24Å
62K61.7Low71.5Confident107 Ų10793.3 Ų93.347%0.46547%0.468SS..  trans-64.497.8-179-174.1174.3-174.8169.20106E12 I60 P64E12-K62 IonicContact OE1-NZ 3.76Å; E12-K62 PolarHBondContact OE1-NZ 3.16Å; I60-K62 PolarHBondContact O-N 2.95Å; K62-P64 VanDerWaalsContact O-N 3.16Å
63K52.6Low72.1Confident149 Ų14988 Ų8865%0.64845%0.448SS*.  trans-55.5127.3170.8-71.9-173.2177.5-177.10105.2E61 A65E61-K63 VanDerWaalsContact C-N 3.29Å; E61-K63 PolarHBondContact O-N 3.24Å; K63-A65 PolarHBondContact O-N 3.19Å; K63-A65 VanDerWaalsContact O-N 3.07Å
64P43.3Very low73Confident115 Ų11584.2 Ų84.275%0.74742%0.424SS*.  trans-47.5127.9172.118.8-28.9000106.1K62 V66K62-P64 VanDerWaalsContact O-N 3.16Å; P64-V66 PolarHBondContact O-N 3.39Å
65A38.2Very low73.9Confident91 Ų9175.3 Ų75.375%0.75239%0.394SS*.  trans-45.9115.2-174.600000106.8K63 R67K63-A65 PolarHBondContact O-N 3.19Å; K63-A65 VanDerWaalsContact O-N 3.07Å; A65-R67 VanDerWaalsContact C-N 3.31Å; A65-R67 PolarHBondContact O-N 2.91Å
66V42.1Very low74.8Confident118 Ų11871.9 Ų71.972%0.71537%0.37SS*.  trans-53.9106.9-179.7178.40000104P64 I68P64-V66 PolarHBondContact O-N 3.39Å; V66-I68 PolarHBondContact O-N 3.28Å
67R47Very low75.2Confident218 Ų21870.7 Ų70.782%0.82336%0.357SS*.  trans-63101.3176.1-98.9-178.1165.8-178.9-3.5102.9A65 E69A65-R67 VanDerWaalsContact C-N 3.31Å; A65-R67 PolarHBondContact O-N 2.91Å; R67-E69 PolarHBondContact O-N 3.25Å
68I52.2Low75.5Confident109 Ų10978.9 Ų78.956%0.55939%0.385SS*.  trans-55.4116.2174-59.9177.3000104.3V66 R70V66-I68 PolarHBondContact O-N 3.28Å; I68-R70 WeakPolarHBondContact O-CG 3.28Å; I68-R70 PolarHBondContact O-N 2.95Å
69E63.7Low75.5Confident41 Ų4181 Ų8119%0.19240%0.395CS..  trans-62.6131.5-176.1-65.5152.2-153.700108.2R67 S96 I181 R182R67-E69 PolarHBondContact O-N 3.25Å; E69-S96 WeakPolarHBondContact O-CB 3.33Å; E69-I181 HydrophobicContact CB-CG2 3.94Å; E69-I181 HydrophobicContact CG-CG2 4.03Å; E69-R182 VanDerWaalsContact CD-CB 3.46Å; E69-R182 WeakPolarHBondContact OE1-CA 3.25Å; E69-R182 VanDerWaalsContact OE1-CB 3.23Å; E69-R182 WeakPolarHBondContact OE1-CB 3.21Å; E69-R182 WeakPolarHBondContact OE1-CD 3.44Å; E69-R182 WeakPolarHBondContact OE1-CG 3.39Å; E69-R182 WeakPolarHBondContact OE2-CB 3.35Å
70R77.7Confident75.7Confident138 Ų13880 Ų8052%0.52139%0.392SS..  trans-125.9132.2-172.1-77.9177.5-166.8-166.6-0.2109.9I68 E94 F95I68-R70 WeakPolarHBondContact O-CG 3.28Å; I68-R70 PolarHBondContact O-N 2.95Å; R70-E94 HydrophobicContact CB-CB 3.91Å; R70-E94 HydrophobicContact CB-CG 4.06Å; R70-E94 WeakPolarHBondContact CD-OE2 3.48Å; R70-E94 HydrophobicContact CG-CB 4.14Å; R70-E94 IonicContact CZ-OE2 3.96Å; R70-E94 IonicContact NE-OE2 3.67Å; R70-E94 IonicContact NH1-OE2 3.3Å; R70-E94 PolarHBondContact NH1-OE2 2.91Å; R70-F95 WeakPolarHBondContact CA-O 3.19Å
71L88.9Confident76.2Confident5 Ų584.4 Ų84.43%0.02642%0.415CS..EExtended strand (participates in β ladder)trans-109.8147.3166.9-81.6165.1000107.8E75 I76 I79 E94 F95 A177 F178 I181L71-E75 HydrophobicContact CD2-CB 3.98Å; L71-I76 HydrophobicContact CB-CD1 4.23Å; L71-I76 HydrophobicContact CB-CG1 4.5Å; L71-I76 HydrophobicContact CD1-CD1 3.79Å; L71-I79 HydrophobicContact CD2-CD1 4.43Å; L71-E94 CarbonylContact O-C 3.58Å; L71-E94 VanDerWaalsContact O-CA 3.32Å; L71-E94 WeakPolarHBondContact O-CA 3.26Å; L71-F95 HydrophobicContact CB-CD1 4.43Å; L71-F95 HydrophobicContact CB-CE1 3.7Å; L71-F95 HydrophobicContact CB-CZ 4.12Å; L71-F95 PolarHBondContact N-O 3.29Å; L71-F95 VanDerWaalsContact N-O 3.14Å; L71-F95 WeakPolarHBondContact O-CD1 3.35Å; L71-F95 WeakPolarHBondContact O-CE1 3.33Å; L71-F95 PolarHBondContact O-N 3.13Å; L71-A177 HydrophobicContact CD1-CB 3.92Å; L71-F178 HydrophobicContact CB-CE1 4.49Å; L71-F178 HydrophobicContact CB-CZ 4.44Å; L71-F178 HydrophobicContact CD1-CD1 4.04Å; L71-F178 HydrophobicContact CD1-CD2 4.07Å; L71-F178 HydrophobicContact CD1-CE1 3.94Å; L71-F178 HydrophobicContact CD1-CE2 3.97Å; L71-F178 HydrophobicContact CD1-CG 4.09Å; L71-F178 HydrophobicContact CD1-CZ 3.9Å; L71-F178 HydrophobicContact CG-CE1 4.3Å; L71-I181 HydrophobicContact CD1-CD1 4.08Å; L71-I181 HydrophobicContact CD2-CD1 3.24Å; L71-I181 HydrophobicContact CG-CD1 3.43Å; L71-I181 VanDerWaalsContact CG-CD1 3.43Å
72T94.5Very high77Confident24 Ų2478.1 Ų78.115%0.14739%0.388CS..EExtended strand (participates in β ladder)trans-84.115416865.10000110.2S74 E75 I76 R93 E94T72-S74 PolarHBondContact O-N 3.44Å; T72-S74 PolarHBondContact OG1-OG 3.11Å; T72-E75 WeakPolarHBondContact CB-OE2 3.43Å; T72-E75 PolarHBondContact N-OE2 3.34Å; T72-E75 PolarHBondContact O-N 3.34Å; T72-E75 VanDerWaalsContact O-N 3.11Å; T72-E75 VanDerWaalsContact OG1-CG 3.27Å; T72-E75 WeakPolarHBondContact OG1-CG 3.11Å; T72-E75 PolarHBondContact OG1-N 3.2Å; T72-E75 PolarHBondContact OG1-OE2 3.45Å; T72-I76 PolarHBondContact O-N 3.26Å; T72-R93 VanDerWaalsContact CA-O 3.29Å; T72-R93 WeakPolarHBondContact CA-O 3.49Å; T72-E94 HydrophobicContact CG2-CG 4.13Å
73Y96.3Very high78.7Confident9 Ų979.5 Ų79.54%0.03540%0.396CS..Hα-helixtrans-61.7-29.9173.2-57.9-58.4000112E75 I76 A77 G90 L91 R93 F95 G115 G116 L117 A136 P159Y73-E75 VanDerWaalsContact C-N 3.32Å; Y73-E75 PolarHBondContact O-N 3.38Å; Y73-I76 PolarHBondContact O-N 2.8Å; Y73-A77 PolarHBondContact O-N 2.9Å; Y73-G90 WeakPolarHBondContact CD2-O 3.5Å; Y73-L91 PolarHBondContact N-O 2.97Å; Y73-R93 HydrophobicContact CD2-CB 4.05Å; Y73-R93 WeakPolarHBondContact CD2-O 3.35Å; Y73-R93 HydrophobicContact CE2-CB 3.86Å; Y73-R93 PolarHBondContact N-O 2.79Å; Y73-F95 AromaticContact CD1-CD1 3.63Å; Y73-F95 HydrophobicContact CD1-CD1 3.63Å; Y73-F95 HydrophobicContact CD1-CE1 4.08Å; Y73-F95 HydrophobicContact CD1-CG 4.25Å; Y73-F95 HydrophobicContact CE1-CB 3.78Å; Y73-F95 AromaticContact CE1-CD1 3.49Å; Y73-F95 HydrophobicContact CE1-CD1 3.49Å; Y73-F95 VanDerWaalsContact CE1-CD1 3.49Å; Y73-F95 HydrophobicContact CE1-CD2 4.47Å; Y73-F95 HydrophobicContact CE1-CE1 4.27Å; Y73-F95 AromaticContact CE1-CG 3.64Å; Y73-F95 HydrophobicContact CE1-CG 3.64Å; Y73-F95 HydrophobicContact CG-CD1 4.49Å; Y73-G115 VanDerWaalsContact OH-C 3.27Å; Y73-G115 PolarHBondContact OH-O 2.91Å; Y73-G115 VanDerWaalsContact OH-O 3.05Å; Y73-G116 PolarHBondContact OH-O 3.29Å; Y73-L117 HydrophobicContact CD1-CD1 4.45Å; Y73-L117 HydrophobicContact CE1-CB 4.28Å; Y73-A136 HydrophobicContact CD1-CB 3.61Å; Y73-A136 HydrophobicContact CD2-CB 4.35Å; Y73-A136 HydrophobicContact CE1-CB 3.34Å; Y73-A136 HydrophobicContact CE2-CB 4.13Å; Y73-A136 HydrophobicContact CG-CB 4.11Å; Y73-P159 HydrophobicContact CD2-CG 3.93Å; Y73-P159 HydrophobicContact CG-CG 4.16Å
74S96.1Very high80.9Confident41 Ų4174 Ų7429%0.28738%0.375SS..Hα-helixtrans-63.1-35.7173.877.90000113.5T72 R78 L91T72-S74 PolarHBondContact O-N 3.44Å; T72-S74 PolarHBondContact OG1-OG 3.11Å; S74-R78 PolarHBondContact O-N 3.09Å; S74-L91 WeakPolarHBondContact CB-O 3.47Å; S74-L91 PolarHBondContact N-O 3.12Å
75E94.2Very high83.5Confident74 Ų7471 Ų7135%0.34635%0.352SS..Hα-helixtrans-71.2-41.1175.6-73.9163135.400110.3L71 T72 Y73 R78 I79L71-E75 HydrophobicContact CD2-CB 3.98Å; T72-E75 WeakPolarHBondContact CB-OE2 3.43Å; T72-E75 PolarHBondContact N-OE2 3.34Å; T72-E75 PolarHBondContact O-N 3.34Å; T72-E75 VanDerWaalsContact O-N 3.11Å; T72-E75 VanDerWaalsContact OG1-CG 3.27Å; T72-E75 WeakPolarHBondContact OG1-CG 3.11Å; T72-E75 PolarHBondContact OG1-N 3.2Å; T72-E75 PolarHBondContact OG1-OE2 3.45Å; Y73-E75 VanDerWaalsContact C-N 3.32Å; Y73-E75 PolarHBondContact O-N 3.38Å; E75-R78 PolarHBondContact O-N 3.32Å; E75-I79 HydrophobicContact CB-CD1 4.4Å; E75-I79 WeakPolarHBondContact O-CB 3.38Å; E75-I79 WeakPolarHBondContact O-CD1 3.46Å; E75-I79 WeakPolarHBondContact O-CG1 3.5Å; E75-I79 PolarHBondContact O-N 3.47Å
76I94.7Very high86.3Confident0 Ų066.8 Ų66.80%032%0.317CS..Hα-helixtrans-60.5-49.1175.1-60.5-60.5000111.2L71 T72 Y73 R78 I79 S80 F95 L117 L138 M161 I174L71-I76 HydrophobicContact CB-CD1 4.23Å; L71-I76 HydrophobicContact CB-CG1 4.5Å; L71-I76 HydrophobicContact CD1-CD1 3.79Å; T72-I76 PolarHBondContact O-N 3.26Å; Y73-I76 PolarHBondContact O-N 2.8Å; I76-R78 PolarHBondContact O-N 3.43Å; I76-R78 VanDerWaalsContact O-N 3.14Å; I76-I79 HydrophobicContact CD1-CD1 4.45Å; I76-I79 PolarHBondContact O-N 3.11Å; I76-S80 PolarHBondContact O-N 2.75Å; I76-S80 PolarHBondContact O-OG 2.67Å; I76-F95 HydrophobicContact CD1-CE1 3.92Å; I76-F95 HydrophobicContact CD1-CZ 3.59Å; I76-F95 HydrophobicContact CG1-CE1 3.33Å; I76-F95 HydrophobicContact CG1-CZ 3.43Å; I76-F95 VanDerWaalsContact CG1-CZ 3.43Å; I76-L117 HydrophobicContact CG1-CD2 4.4Å; I76-L117 HydrophobicContact CG2-CD2 3.91Å; I76-L138 HydrophobicContact CG2-CD2 4.07Å; I76-M161 HydrophobicContact CG2-CE 4.4Å; I76-I174 HydrophobicContact CD1-CD1 4.48Å; I76-I174 HydrophobicContact CD1-CG1 4.08Å; I76-I174 HydrophobicContact CD1-CG2 4.19Å; I76-I174 HydrophobicContact CG2-CD1 3.96Å; I76-I174 HydrophobicContact CG2-CG1 4.32Å
77A96.3Very high88.9Confident10 Ų1061.2 Ų61.28%0.08328%0.283CS..Hα-helixtrans-52-40.6177.100000111.9Y73 D81 S82 V84 M161Y73-A77 PolarHBondContact O-N 2.9Å; A77-D81 PolarHBondContact O-N 3.21Å; A77-S82 PolarHBondContact O-N 3.38Å; A77-V84 HydrophobicContact CB-CG2 4.11Å; A77-M161 HydrophobicContact CB-SD 3.68Å
78R96.2Very high91.3Very high195 Ų19557.5 Ų57.574%0.73627%0.274SS*.Hα-helixtrans-71.5-42.6176.9-164.8-171.4-48.6167.49.2112.8S74 E75 I76 S80 D81S74-R78 PolarHBondContact O-N 3.09Å; E75-R78 PolarHBondContact O-N 3.32Å; I76-R78 PolarHBondContact O-N 3.43Å; I76-R78 VanDerWaalsContact O-N 3.14Å; R78-S80 VanDerWaalsContact C-N 3.35Å; R78-D81 PolarHBondContact O-N 3.44Å
79I93.1Very high93.4Very high61 Ų6156.3 Ų56.331%0.31328%0.28SS..Hα-helixtrans-65-39.7-178.9-72158000111.1L71 E75 I76 M173 A177L71-I79 HydrophobicContact CD2-CD1 4.43Å; E75-I79 HydrophobicContact CB-CD1 4.4Å; E75-I79 WeakPolarHBondContact O-CB 3.38Å; E75-I79 WeakPolarHBondContact O-CD1 3.46Å; E75-I79 WeakPolarHBondContact O-CG1 3.5Å; E75-I79 PolarHBondContact O-N 3.47Å; I76-I79 HydrophobicContact CD1-CD1 4.45Å; I76-I79 PolarHBondContact O-N 3.11Å; I79-M173 HydrophobicContact CG2-CB 3.91Å; I79-A177 HydrophobicContact CD1-CB 3.56Å
80S94.8Very high94.9Very high0 Ų054.3 Ų54.30%027%0.27CS..THydrogen-bonded Turntrans-97.515.6-179.255.70000113.8I76 R78 S82 T163I76-S80 PolarHBondContact O-N 2.75Å; I76-S80 PolarHBondContact O-OG 2.67Å; R78-S80 VanDerWaalsContact C-N 3.35Å; S80-S82 VanDerWaalsContact C-N 3.28Å; S80-S82 WeakPolarHBondContact CB-OG 3.33Å; S80-S82 PolarHBondContact O-N 3.03Å; S80-S82 PolarHBondContact O-OG 3.2Å; S80-S82 PolarHBondContact OG-OG 2.83Å; S80-T163 VanDerWaalsContact O-CB 3.26Å; S80-T163 WeakPolarHBondContact O-CB 3.46Å; S80-T163 PolarHBondContact O-OG1 3.21Å
81D96.5Very high95.8Very high118 Ų11849.5 Ų49.563%0.63126%0.255SS*.THydrogen-bonded Turntrans42.454.2-179-165.529.3000112.7A77 R78 Y165A77-D81 PolarHBondContact O-N 3.21Å; R78-D81 PolarHBondContact O-N 3.44Å; D81-Y165 HydrophobicContact CB-CE2 3.85Å
82S97.4Very high96.1Very high17 Ų1753.8 Ų53.812%0.11929%0.285CS..  trans-104136.1-169.2-48.50000111.7A77 S80 L138 V162 T163A77-S82 PolarHBondContact O-N 3.38Å; S80-S82 VanDerWaalsContact C-N 3.28Å; S80-S82 WeakPolarHBondContact CB-OG 3.33Å; S80-S82 PolarHBondContact O-N 3.03Å; S80-S82 PolarHBondContact O-OG 3.2Å; S80-S82 PolarHBondContact OG-OG 2.83Å; S82-L138 WeakPolarHBondContact OG-CD1 3.46Å; S82-V162 CarbonylContact C-O 3.51Å; S82-V162 WeakPolarHBondContact CA-O 3.47Å; S82-V162 WeakPolarHBondContact CB-O 3.21Å; S82-T163 WeakPolarHBondContact OG-CB 3.23Å
83E97.7Very high96Very high136 Ų13658.7 Ų58.764%0.63630%0.301SS*.EExtended strand (participates in β ladder)trans-75133167.1-170.8-179.8178.500109.6L85 M161 V162E83-L85 HydrophobicContact CG-CD2 3.93Å; E83-M161 CarbonylContact O-C 3.53Å; E83-M161 VanDerWaalsContact O-CA 3.23Å; E83-M161 WeakPolarHBondContact O-CA 3.2Å; E83-V162 PolarHBondContact N-O 3.43Å; E83-V162 PolarHBondContact O-N 3.16Å
84V97.9Very high95.8Very high33 Ų3363.3 Ų63.320%0.232%0.323CS..EExtended strand (participates in β ladder)trans-92.5106.5175.1-173.90000109.3A77 K88 L91 M161A77-V84 HydrophobicContact CB-CG2 4.11Å; V84-K88 HydrophobicContact CG1-CG 4.02Å; V84-L91 HydrophobicContact CG1-CD1 4.17Å; V84-L91 HydrophobicContact CG1-CD2 4.08Å; V84-L91 HydrophobicContact CG1-CG 4.43Å; V84-L91 HydrophobicContact CG2-CD1 4.27Å; V84-L91 HydrophobicContact CG2-CD2 4Å; V84-M161 HydrophobicContact CG2-CG 4.26Å
85L97.7Very high95.5Very high54 Ų5461.5 Ų61.528%0.28331%0.31SS..EExtended strand (participates in β ladder)trans-82.8-38.1-177.9-60.5-171000113.1E83 V145 V160 V162E83-L85 HydrophobicContact CG-CD2 3.93Å; L85-V145 HydrophobicContact CD1-CB 3.9Å; L85-V145 HydrophobicContact CD1-CG2 3.88Å; L85-V160 PolarHBondContact N-O 3.39Å; L85-V162 HydrophobicContact CD1-CB 4.39Å; L85-V162 HydrophobicContact CD1-CG2 3.32Å; L85-V162 HydrophobicContact CG-CG2 3.83Å
86A97.8Very high94.8Very high1 Ų160.8 Ų60.81%0.00831%0.313CS..EExtended strand (participates in β ladder)trans-148.3167.6-174.500000112.3K88 I150 A153 P159 V160A86-K88 PolarHBondContact O-N 3.44Å; A86-I150 HydrophobicContact CB-CB 4.36Å; A86-I150 HydrophobicContact CB-CG2 4.03Å; A86-A153 HydrophobicContact CB-CB 3.67Å; A86-P159 WeakPolarHBondContact O-CA 3.48Å; A86-V160 HydrophobicContact CB-CB 4.21Å; A86-V160 PolarHBondContact N-O 3.27Å; A86-V160 PolarHBondContact O-N 2.86Å; A86-V160 VanDerWaalsContact O-N 3.09Å
87G97.3Very high94.4Very high1 Ų165.2 Ų65.21%0.0133%0.332CS..  trans70.229.2169.500000114.5A89 G90 D154 I158G87-A89 PolarHBondContact O-N 3.08Å; G87-G90 PolarHBondContact O-N 3.45Å; G87-D154 PolarHBondContact N-OD1 2.87Å; G87-I158 WeakPolarHBondContact CA-O 3.42Å
88K96.7Very high94.2Very high141 Ų14166.6 Ų66.661%0.61334%0.336SS*.G310 helixtrans-52.5-31.3-175.5-66.7-179.7-178.3176.10113.5V84 A86 G90 L91V84-K88 HydrophobicContact CG1-CG 4.02Å; A86-K88 PolarHBondContact O-N 3.44Å; K88-G90 PolarHBondContact O-N 3.47Å; K88-G90 VanDerWaalsContact O-N 3.16Å; K88-L91 HydrophobicContact CB-CD1 4.32Å; K88-L91 HydrophobicContact CG-CD1 4.48Å; K88-L91 WeakPolarHBondContact O-CB 3.37Å; K88-L91 WeakPolarHBondContact O-CG 3.37Å; K88-L91 PolarHBondContact O-N 2.92Å
89A95.8Very high94.1Very high83 Ų8358.1 Ų58.169%0.68631%0.307SS*.G310 helixtrans-59.3-23.2176.700000114G87G87-A89 PolarHBondContact O-N 3.08Å
90G96.1Very high94.2Very high0 Ų058.6 Ų58.60%031%0.31CS..G310 helixtrans-93.4-4.7-18000000115.1Y73 G87 K88 S92 R93 G157Y73-G90 WeakPolarHBondContact CD2-O 3.5Å; G87-G90 PolarHBondContact O-N 3.45Å; K88-G90 PolarHBondContact O-N 3.47Å; K88-G90 VanDerWaalsContact O-N 3.16Å; G90-S92 VanDerWaalsContact C-N 3.27Å; G90-S92 PolarHBondContact O-N 3.29Å; G90-R93 VanDerWaalsContact O-CB 3.24Å; G90-R93 WeakPolarHBondContact O-CB 3.37Å; G90-R93 WeakPolarHBondContact O-CG 3.4Å; G90-R93 PolarHBondContact O-N 3.12Å; G90-G157 VanDerWaalsContact CA-O 3.28Å; G90-G157 WeakPolarHBondContact CA-O 3.4Å; G90-G157 PolarHBondContact N-O 3.46Å
91L95.7Very high94.1Very high36 Ų3659 Ų5919%0.18831%0.313CS..THydrogen-bonded Turntrans-60.7-31.4-170.2-76.9172.4000114.6Y73 S74 V84 K88 R93 P159Y73-L91 PolarHBondContact N-O 2.97Å; S74-L91 WeakPolarHBondContact CB-O 3.47Å; S74-L91 PolarHBondContact N-O 3.12Å; V84-L91 HydrophobicContact CG1-CD1 4.17Å; V84-L91 HydrophobicContact CG1-CD2 4.08Å; V84-L91 HydrophobicContact CG1-CG 4.43Å; V84-L91 HydrophobicContact CG2-CD1 4.27Å; V84-L91 HydrophobicContact CG2-CD2 4Å; K88-L91 HydrophobicContact CB-CD1 4.32Å; K88-L91 HydrophobicContact CG-CD1 4.48Å; K88-L91 WeakPolarHBondContact O-CB 3.37Å; K88-L91 WeakPolarHBondContact O-CG 3.37Å; K88-L91 PolarHBondContact O-N 2.92Å; L91-R93 VanDerWaalsContact C-N 3.25Å; L91-R93 PolarHBondContact O-N 2.91Å; L91-P159 HydrophobicContact CD2-CB 3.96Å; L91-P159 HydrophobicContact CD2-CG 3.94Å; L91-P159 HydrophobicContact CG-CG 4.25Å
92S95.1Very high93.8Very high95 Ų9557 Ų5766%0.66431%0.314SS*.THydrogen-bonded Turntrans-78.5-6.7178.357.90000113.7G90G90-S92 VanDerWaalsContact C-N 3.27Å; G90-S92 PolarHBondContact O-N 3.29Å
93R93.8Very high93.4Very high127 Ų12758.6 Ų58.648%0.47932%0.32SS..  trans-72.2140.6179.3-63.8178.4-178.8171.13.5110.2T72 Y73 G90 L91T72-R93 VanDerWaalsContact CA-O 3.29Å; T72-R93 WeakPolarHBondContact CA-O 3.49Å; Y73-R93 HydrophobicContact CD2-CB 4.05Å; Y73-R93 WeakPolarHBondContact CD2-O 3.35Å; Y73-R93 HydrophobicContact CE2-CB 3.86Å; Y73-R93 PolarHBondContact N-O 2.79Å; G90-R93 VanDerWaalsContact O-CB 3.24Å; G90-R93 WeakPolarHBondContact O-CB 3.37Å; G90-R93 WeakPolarHBondContact O-CG 3.4Å; G90-R93 PolarHBondContact O-N 3.12Å; L91-R93 VanDerWaalsContact C-N 3.25Å; L91-R93 PolarHBondContact O-N 2.91Å
94E91.9Very high93Very high106 Ų10655.4 Ų55.450%0.49531%0.309SS..EExtended strand (participates in β ladder)trans-85.8146.9176.7-69.1174168.100111.9R70 L71 T72R70-E94 HydrophobicContact CB-CB 3.91Å; R70-E94 HydrophobicContact CB-CG 4.06Å; R70-E94 WeakPolarHBondContact CD-OE2 3.48Å; R70-E94 HydrophobicContact CG-CB 4.14Å; R70-E94 IonicContact CZ-OE2 3.96Å; R70-E94 IonicContact NE-OE2 3.67Å; R70-E94 IonicContact NH1-OE2 3.3Å; R70-E94 PolarHBondContact NH1-OE2 2.91Å; L71-E94 CarbonylContact O-C 3.58Å; L71-E94 VanDerWaalsContact O-CA 3.32Å; L71-E94 WeakPolarHBondContact O-CA 3.26Å; T72-E94 HydrophobicContact CG2-CG 4.13Å
95F89.4Confident92.7Very high4 Ų457.5 Ų57.52%0.01832%0.317CS..EExtended strand (participates in β ladder)trans-137.6163.1168.678.2-73.1000110.4R70 L71 Y73 I76 K97 F98 G115 L117 F178R70-F95 WeakPolarHBondContact CA-O 3.19Å; L71-F95 HydrophobicContact CB-CD1 4.43Å; L71-F95 HydrophobicContact CB-CE1 3.7Å; L71-F95 HydrophobicContact CB-CZ 4.12Å; L71-F95 PolarHBondContact N-O 3.29Å; L71-F95 VanDerWaalsContact N-O 3.14Å; L71-F95 WeakPolarHBondContact O-CD1 3.35Å; L71-F95 WeakPolarHBondContact O-CE1 3.33Å; L71-F95 PolarHBondContact O-N 3.13Å; Y73-F95 AromaticContact CD1-CD1 3.63Å; Y73-F95 HydrophobicContact CD1-CD1 3.63Å; Y73-F95 HydrophobicContact CD1-CE1 4.08Å; Y73-F95 HydrophobicContact CD1-CG 4.25Å; Y73-F95 HydrophobicContact CE1-CB 3.78Å; Y73-F95 AromaticContact CE1-CD1 3.49Å; Y73-F95 HydrophobicContact CE1-CD1 3.49Å; Y73-F95 VanDerWaalsContact CE1-CD1 3.49Å; Y73-F95 HydrophobicContact CE1-CD2 4.47Å; Y73-F95 HydrophobicContact CE1-CE1 4.27Å; Y73-F95 AromaticContact CE1-CG 3.64Å; Y73-F95 HydrophobicContact CE1-CG 3.64Å; Y73-F95 HydrophobicContact CG-CD1 4.49Å; I76-F95 HydrophobicContact CD1-CE1 3.92Å; I76-F95 HydrophobicContact CD1-CZ 3.59Å; I76-F95 HydrophobicContact CG1-CE1 3.33Å; I76-F95 HydrophobicContact CG1-CZ 3.43Å; I76-F95 VanDerWaalsContact CG1-CZ 3.43Å; F95-K97 WeakPolarHBondContact CD2-O 3.21Å; F95-F98 HydrophobicContact CE2-CB 4.17Å; F95-G115 WeakPolarHBondContact CB-O 3.45Å; F95-L117 HydrophobicContact CD2-CB 3.86Å; F95-L117 HydrophobicContact CE2-CB 3.76Å; F95-L117 HydrophobicContact CE2-CD2 4.03Å; F95-L117 HydrophobicContact CG-CB 4.48Å; F95-L117 HydrophobicContact CZ-CB 4.31Å; F95-L117 HydrophobicContact CZ-CD2 3.92Å; F95-F178 HydrophobicContact CD2-CZ 4.39Å; F95-F178 HydrophobicContact CE2-CE2 4.04Å; F95-F178 AromaticContact CE2-CZ 3.67Å; F95-F178 HydrophobicContact CE2-CZ 3.67Å; F95-F178 HydrophobicContact CZ-CE2 4.17Å; F95-F178 AromaticContact CZ-CZ 3.87Å; F95-F178 HydrophobicContact CZ-CZ 3.87Å
96S78.2Confident92.3Very high58 Ų5861.5 Ų61.541%0.40633%0.334SS..  trans-134.3-2.4-17852.30000114.3E69E69-S96 WeakPolarHBondContact O-CB 3.33Å
97K87.5Confident91.9Very high93 Ų9364.5 Ų64.540%0.40435%0.35SS..  trans-139128.3180-171-178.5179.8-169.60109.5F95 V113 G116 L117F95-K97 WeakPolarHBondContact CD2-O 3.21Å; K97-V113 HydrophobicContact CD-CB 4.39Å; K97-V113 HydrophobicContact CD-CG2 3.78Å; K97-G116 WeakPolarHBondContact O-CA 3.4Å; K97-L117 PolarHBondContact O-N 3.05Å; K97-L117 VanDerWaalsContact O-N 3.1Å
98F92.5Very high91.7Very high39 Ų3964.4 Ų64.417%0.17135%0.35CS..EExtended strand (participates in β ladder)trans-115.2164.4166.775.1-83.2000110.9F95 L117 I119 A171 I174 N175 F178F95-F98 HydrophobicContact CE2-CB 4.17Å; F98-L117 CarbonylContact C-O 3.6Å; F98-L117 WeakPolarHBondContact CA-O 3.33Å; F98-L117 HydrophobicContact CB-CB 3.91Å; F98-L117 HydrophobicContact CB-CD2 4.19Å; F98-L117 HydrophobicContact CB-CG 4.31Å; F98-L117 WeakPolarHBondContact CB-O 3.41Å; F98-I119 HydrophobicContact CD2-CD1 3.58Å; F98-I119 HydrophobicContact CD2-CG1 4.29Å; F98-I119 HydrophobicContact CE2-CD1 3.86Å; F98-A171 HydrophobicContact CE2-CB 4.4Å; F98-I174 HydrophobicContact CD1-CG2 3.66Å; F98-I174 HydrophobicContact CE1-CG2 3.64Å; F98-I174 HydrophobicContact CG-CG2 4.15Å; F98-I174 HydrophobicContact CZ-CG2 4.11Å; F98-N175 WeakPolarHBondContact CE1-OD1 3.46Å; F98-N175 VanDerWaalsContact CZ-OD1 3.31Å; F98-N175 WeakPolarHBondContact CZ-OD1 3.31Å; F98-F178 HydrophobicContact CD1-CD2 4.32Å; F98-F178 AromaticContact CD1-CE2 3.8Å; F98-F178 HydrophobicContact CD1-CE2 3.8Å; F98-F178 HydrophobicContact CE1-CD2 4.2Å; F98-F178 HydrophobicContact CE1-CE2 4.15Å
99S93.7Very high91.4Very high17 Ų1761.6 Ų61.612%0.11934%0.341CS..EExtended strand (participates in β ladder)trans-144.9152.4176.3-680000110.3L117 I119S99-L117 PolarHBondContact N-O 3.38Å; S99-I119 PolarHBondContact O-N 3.05Å
100I95.4Very high91.1Very high72 Ų7265.2 Ų65.237%0.36934%0.337SS..EExtended strand (participates in β ladder)trans-102.2118.6177.1-60.5171.7000108.9A102 I119 T167 A171I100-A102 PolarHBondContact O-N 3.32Å; I100-A102 VanDerWaalsContact O-N 3.14Å; I100-I119 HydrophobicContact CG1-CB 4.42Å; I100-I119 HydrophobicContact CG1-CD1 4.21Å; I100-T167 HydrophobicContact CD1-CG2 4.36Å; I100-T167 HydrophobicContact CG1-CG2 4.39Å; I100-T167 HydrophobicContact CG2-CG2 3.47Å; I100-T167 VanDerWaalsContact CG2-CG2 3.47Å; I100-A171 HydrophobicContact CD1-CB 3.71Å; I100-A171 HydrophobicContact CG1-CB 4.5Å
101G92.1Very high90.9Very high8 Ų870 Ų708%0.08236%0.356CS..  trans-83.667.8-178.600000113.5I119G101-I119 PolarHBondContact N-O 3.39Å
102A89.9Confident90.7Very high77 Ų7769.3 Ų69.364%0.63635%0.352SS*.  trans-92-13176.400000114I100 R123I100-A102 PolarHBondContact O-N 3.32Å; I100-A102 VanDerWaalsContact O-N 3.14Å; A102-R123 PolarHBondContact O-NH1 3Å; A102-R123 VanDerWaalsContact O-NH1 3.11Å
103M89.4Confident90.5Very high50 Ų5068 Ų6825%0.24634%0.339CS..SBendtrans-99.4175.6-172.667.5-163.381.100113.6N107 I108 Y111 R123M103-N107 HydrophobicContact CB-CB 4.02Å; M103-N107 HydrophobicContact CG-CB 3.75Å; M103-N107 HydrophobicContact SD-CB 3.71Å; M103-I108 HydrophobicContact CE-CD1 3.97Å; M103-I108 HydrophobicContact CG-CB 3.88Å; M103-I108 HydrophobicContact CG-CD1 3.93Å; M103-I108 HydrophobicContact CG-CG1 4.49Å; M103-I108 HydrophobicContact SD-CB 4.37Å; M103-I108 HydrophobicContact SD-CD1 4.07Å; M103-Y111 HydrophobicContact CE-CD2 3.62Å; M103-Y111 HydrophobicContact CE-CE2 3.41Å; M103-Y111 VanDerWaalsContact CE-CE2 3.41Å; M103-Y111 HydrophobicContact CE-CG 4.47Å; M103-Y111 HydrophobicContact SD-CD2 3.62Å; M103-Y111 HydrophobicContact SD-CE2 3.42Å; M103-Y111 WeakPolarHBondContact SD-CE2 3.24Å; M103-R123 PolarHBondContact O-NH1 2.76Å
104T90.1Very high90.4Very high68 Ų6869.9 Ų69.942%0.41735%0.351SS..  trans-67.3163.8175.871.10000112.1E106 N107 I108T104-E106 VanDerWaalsContact C-N 3.27Å; T104-E106 WeakPolarHBondContact CB-OE2 3.47Å; T104-E106 PolarHBondContact O-N 2.85Å; T104-E106 PolarHBondContact OG1-OE2 2.72Å; T104-N107 PolarHBondContact O-N 2.71Å; T104-N107 VanDerWaalsContact O-N 3.11Å; T104-N107 PolarHBondContact OG1-ND2 3.42Å; T104-I108 PolarHBondContact O-N 3.41Å; T104-I108 VanDerWaalsContact O-N 3.1Å
105Q90Very high90.5Very high77 Ų7766.3 Ų66.336%0.3634%0.343SS..Hα-helixtrans-58.8-36.1-178.8-173.1178.5-17.900112.8N107 I108 L129Q105-N107 VanDerWaalsContact C-N 3.3Å; Q105-N107 PolarHBondContact O-N 3.48Å; Q105-I108 WeakPolarHBondContact O-CG2 3.46Å; Q105-L129 HydrophobicContact CG-CB 4.49Å; Q105-L129 HydrophobicContact CG-CD2 3.47Å; Q105-L129 VanDerWaalsContact CG-CD2 3.47Å
106E89.3Confident90.7Very high138 Ų13866.2 Ų66.265%0.64534%0.343SS*.Hα-helixtrans-67.8-34.8179.4-54.173.6-156.400111.3T104T104-E106 VanDerWaalsContact C-N 3.27Å; T104-E106 WeakPolarHBondContact CB-OE2 3.47Å; T104-E106 PolarHBondContact O-N 2.85Å; T104-E106 PolarHBondContact OG1-OE2 2.72Å
107N91.2Very high91.6Very high64 Ų6463.5 Ų63.534%0.34232%0.324SS..Hα-helixtrans-85.9-27.6-173.5-78.2-59.2000113.2M103 T104 Q105 L109 R110M103-N107 HydrophobicContact CB-CB 4.02Å; M103-N107 HydrophobicContact CG-CB 3.75Å; M103-N107 HydrophobicContact SD-CB 3.71Å; T104-N107 PolarHBondContact O-N 2.71Å; T104-N107 VanDerWaalsContact O-N 3.11Å; T104-N107 PolarHBondContact OG1-ND2 3.42Å; Q105-N107 VanDerWaalsContact C-N 3.3Å; Q105-N107 PolarHBondContact O-N 3.48Å; N107-L109 VanDerWaalsContact C-N 3.34Å; N107-L109 PolarHBondContact O-N 3Å; N107-R110 WeakPolarHBondContact O-CG 3.46Å; N107-R110 PolarHBondContact O-NE 2.98Å; N107-R110 VanDerWaalsContact O-NE 3.08Å; N107-R110 PolarHBondContact OD1-NH2 2.83Å
108I91.6Very high92Very high0 Ų059 Ų590%031%0.305CS..Hα-helixtrans-72.9-26.7-174.6-164.961.2000112.8M103 T104 Q105 R110 Y111 L112 L118 V126 L129M103-I108 HydrophobicContact CE-CD1 3.97Å; M103-I108 HydrophobicContact CG-CB 3.88Å; M103-I108 HydrophobicContact CG-CD1 3.93Å; M103-I108 HydrophobicContact CG-CG1 4.49Å; M103-I108 HydrophobicContact SD-CB 4.37Å; M103-I108 HydrophobicContact SD-CD1 4.07Å; T104-I108 PolarHBondContact O-N 3.41Å; T104-I108 VanDerWaalsContact O-N 3.1Å; Q105-I108 WeakPolarHBondContact O-CG2 3.46Å; I108-R110 PolarHBondContact O-N 3.29Å; I108-R110 VanDerWaalsContact O-N 3.08Å; I108-Y111 HydrophobicContact CD1-CD2 4.44Å; I108-Y111 PolarHBondContact O-N 2.9Å; I108-L112 HydrophobicContact CG1-CD2 4.37Å; I108-L112 HydrophobicContact CG1-CG 4.44Å; I108-L112 PolarHBondContact O-N 2.7Å; I108-L118 HydrophobicContact CD1-CD1 4.05Å; I108-L118 HydrophobicContact CG1-CD1 4.21Å; I108-V126 HydrophobicContact CG2-CG1 4.42Å; I108-L129 HydrophobicContact CG2-CD2 3.76Å
109L90.1Very high92.3Very high81 Ų8157.2 Ų57.242%0.42430%0.297SS..THydrogen-bonded Turntrans-48.8-40.4-176.4-81169.5000114.4N107 Y111 L112 L129 K133N107-L109 VanDerWaalsContact C-N 3.34Å; N107-L109 PolarHBondContact O-N 3Å; L109-Y111 PolarHBondContact O-N 2.76Å; L109-L112 PolarHBondContact O-N 2.82Å; L109-L129 HydrophobicContact CD2-CD1 3.88Å; L109-L129 HydrophobicContact CD2-CD2 3.87Å; L109-L129 HydrophobicContact CD2-CG 4.22Å; L109-L129 HydrophobicContact CG-CD2 4Å; L109-K133 HydrophobicContact CD2-CG 4.34Å
110R90.5Very high92.4Very high160 Ų16056.5 Ų56.560%0.60429%0.292SS*.THydrogen-bonded Turntrans-69.7-15.7-178.867.2-168.2151.4-154.1-4.2114.4N107 I108N107-R110 WeakPolarHBondContact O-CG 3.46Å; N107-R110 PolarHBondContact O-NE 2.98Å; N107-R110 VanDerWaalsContact O-NE 3.08Å; N107-R110 PolarHBondContact OD1-NH2 2.83Å; I108-R110 PolarHBondContact O-N 3.29Å; I108-R110 VanDerWaalsContact O-N 3.08Å
111Y90.7Very high92.4Very high101 Ų10153.8 Ų53.840%0.39628%0.281SS..THydrogen-bonded Turntrans-95.8-26.4180-64.2-80.2000112.4M103 I108 L109 V113M103-Y111 HydrophobicContact CE-CD2 3.62Å; M103-Y111 HydrophobicContact CE-CE2 3.41Å; M103-Y111 VanDerWaalsContact CE-CE2 3.41Å; M103-Y111 HydrophobicContact CE-CG 4.47Å; M103-Y111 HydrophobicContact SD-CD2 3.62Å; M103-Y111 HydrophobicContact SD-CE2 3.42Å; M103-Y111 WeakPolarHBondContact SD-CE2 3.24Å; I108-Y111 HydrophobicContact CD1-CD2 4.44Å; I108-Y111 PolarHBondContact O-N 2.9Å; L109-Y111 PolarHBondContact O-N 2.76Å; Y111-V113 PolarHBondContact O-N 2.68Å
112L92.2Very high92.5Very high20 Ų2058.7 Ų58.711%0.10531%0.306CS..  trans-67.6126.2178.4-59.3179.4000110.6I108 L109 L118 L129 A130 K133I108-L112 HydrophobicContact CG1-CD2 4.37Å; I108-L112 HydrophobicContact CG1-CG 4.44Å; I108-L112 PolarHBondContact O-N 2.7Å; L109-L112 PolarHBondContact O-N 2.82Å; L112-L118 HydrophobicContact CD2-CB 4.33Å; L112-L118 HydrophobicContact CD2-CD1 3.97Å; L112-L118 HydrophobicContact CD2-CD2 4.13Å; L112-L118 HydrophobicContact CD2-CG 4.37Å; L112-L129 HydrophobicContact CD1-CD2 4.46Å; L112-L129 HydrophobicContact CD1-CG 4.23Å; L112-A130 HydrophobicContact CD2-CB 4.46Å; L112-K133 HydrophobicContact CB-CB 4.22Å; L112-K133 HydrophobicContact CD1-CB 4.04Å; L112-K133 HydrophobicContact CD1-CG 3.94Å
113V90.7Very high92.7Very high67 Ų6760.3 Ų60.341%0.40630%0.295SS..  trans-123140.4175.6178.60000107.7K97 Y111 G115 G116 N135K97-V113 HydrophobicContact CD-CB 4.39Å; K97-V113 HydrophobicContact CD-CG2 3.78Å; Y111-V113 PolarHBondContact O-N 2.68Å; V113-G115 PolarHBondContact O-N 3.15Å; V113-G116 PolarHBondContact O-N 2.91Å; V113-N135 VanDerWaalsContact O-CG 3.27Å; V113-N135 PolarHBondContact O-ND2 3.48Å; V113-N135 PolarHBondContact O-OD1 3.03Å
114K92.4Very high93Very high167 Ų16761.9 Ų61.973%0.72630%0.302SS*.THydrogen-bonded Turntrans-55.6126.3178.6179.8171.4-175.4173.30110.2H134K114-H134 HydrophobicContact CG-CB 4.1Å
115G92.8Very high93.3Very high31 Ų3163.7 Ų63.732%0.3231%0.309SS..THydrogen-bonded Turntrans73.724.3-176.100000114Y73 F95 V113 H134Y73-G115 VanDerWaalsContact OH-C 3.27Å; Y73-G115 PolarHBondContact OH-O 2.91Å; Y73-G115 VanDerWaalsContact OH-O 3.05Å; F95-G115 WeakPolarHBondContact CB-O 3.45Å; V113-G115 PolarHBondContact O-N 3.15Å; G115-H134 WeakPolarHBondContact CA-O 3.21Å; G115-H134 PolarHBondContact N-O 3.26Å
116G94.6Very high93.6Very high3 Ų360.3 Ų60.33%0.03129%0.294CS..  trans-90.7176.8170.500000113.1Y73 K97 V113 N135 A136Y73-G116 PolarHBondContact OH-O 3.29Å; K97-G116 WeakPolarHBondContact O-CA 3.4Å; V113-G116 PolarHBondContact O-N 2.91Å; G116-N135 VanDerWaalsContact C-OD1 3.32Å; G116-N135 VanDerWaalsContact CA-OD1 3.28Å; G116-N135 WeakPolarHBondContact CA-OD1 3.31Å; G116-N135 CarbonylContact O-C 3.59Å; G116-N135 WeakPolarHBondContact O-CA 3.45Å; G116-N135 WeakPolarHBondContact O-CB 3.22Å; G116-N135 PolarHBondContact O-OD1 3.35Å; G116-A136 PolarHBondContact O-N 2.93Å
117L96.6Very high93.9Very high0 Ų053.9 Ų53.90%026%0.264CS..EExtended strand (participates in β ladder)trans-113.2127.5172.8176.768.5000110.1Y73 I76 F95 K97 F98 S99 A136 L138 M161 I174Y73-L117 HydrophobicContact CD1-CD1 4.45Å; Y73-L117 HydrophobicContact CE1-CB 4.28Å; I76-L117 HydrophobicContact CG1-CD2 4.4Å; I76-L117 HydrophobicContact CG2-CD2 3.91Å; F95-L117 HydrophobicContact CD2-CB 3.86Å; F95-L117 HydrophobicContact CE2-CB 3.76Å; F95-L117 HydrophobicContact CE2-CD2 4.03Å; F95-L117 HydrophobicContact CG-CB 4.48Å; F95-L117 HydrophobicContact CZ-CB 4.31Å; F95-L117 HydrophobicContact CZ-CD2 3.92Å; K97-L117 PolarHBondContact O-N 3.05Å; K97-L117 VanDerWaalsContact O-N 3.1Å; F98-L117 CarbonylContact C-O 3.6Å; F98-L117 WeakPolarHBondContact CA-O 3.33Å; F98-L117 HydrophobicContact CB-CB 3.91Å; F98-L117 HydrophobicContact CB-CD2 4.19Å; F98-L117 HydrophobicContact CB-CG 4.31Å; F98-L117 WeakPolarHBondContact CB-O 3.41Å; S99-L117 PolarHBondContact N-O 3.38Å; L117-A136 HydrophobicContact CD1-CB 3.93Å; L117-L138 HydrophobicContact CD1-CB 4.12Å; L117-M161 HydrophobicContact CD1-CE 3.81Å; L117-I174 HydrophobicContact CD2-CD1 3.91Å
118L97.3Very high94.2Very high0 Ų052.9 Ų52.90%026%0.258CS..EExtended strand (participates in β ladder)trans-104.2122.2170.6-174.570.7000110.3I108 L112 V120 V126 A130 A136 I137 L138I108-L118 HydrophobicContact CD1-CD1 4.05Å; I108-L118 HydrophobicContact CG1-CD1 4.21Å; L112-L118 HydrophobicContact CD2-CB 4.33Å; L112-L118 HydrophobicContact CD2-CD1 3.97Å; L112-L118 HydrophobicContact CD2-CD2 4.13Å; L112-L118 HydrophobicContact CD2-CG 4.37Å; L118-V120 HydrophobicContact CD2-CB 4.28Å; L118-V120 HydrophobicContact CG-CB 4.34Å; L118-V126 HydrophobicContact CD2-CG1 3.82Å; L118-A130 HydrophobicContact CB-CB 4.2Å; L118-A130 HydrophobicContact CD2-CB 3.54Å; L118-A136 PolarHBondContact N-O 2.87Å; L118-I137 WeakPolarHBondContact O-CA 3.44Å; L118-L138 PolarHBondContact O-N 3.4Å
119I97.4Very high94.4Very high0 Ų053.5 Ų53.50%026%0.261CS..EExtended strand (participates in β ladder)trans-88.5121.5168.1-53.3173.6000107.4F98 S99 I100 G101 L138 T140 T167 V170 A171 I174F98-I119 HydrophobicContact CD2-CD1 3.58Å; F98-I119 HydrophobicContact CD2-CG1 4.29Å; F98-I119 HydrophobicContact CE2-CD1 3.86Å; S99-I119 PolarHBondContact O-N 3.05Å; I100-I119 HydrophobicContact CG1-CB 4.42Å; I100-I119 HydrophobicContact CG1-CD1 4.21Å; G101-I119 PolarHBondContact N-O 3.39Å; I119-L138 WeakPolarHBondContact CA-O 3.39Å; I119-T140 HydrophobicContact CG2-CG2 3.39Å; I119-T167 HydrophobicContact CG2-CG2 3.97Å; I119-V170 HydrophobicContact CD1-CG1 4.09Å; I119-V170 HydrophobicContact CG2-CG1 4.38Å; I119-A171 HydrophobicContact CD1-CB 4.33Å; I119-I174 HydrophobicContact CD1-CD1 3.9Å; I119-I174 HydrophobicContact CG1-CD1 4.45Å
120V96.9Very high94.8Very high2 Ų249.6 Ų49.61%0.01224%0.241CC..EExtended strand (participates in β ladder)trans-144157.8-174.665.30000110.8L118 R123 V126 Q127 I137 L138 V139 T140L118-V120 HydrophobicContact CD2-CB 4.28Å; L118-V120 HydrophobicContact CG-CB 4.34Å; V120-R123 HydrophobicContact CG2-CB 4.31Å; V120-V126 HydrophobicContact CG2-CB 4.24Å; V120-V126 HydrophobicContact CG2-CG1 3.86Å; V120-Q127 HydrophobicContact CG1-CG 3.67Å; V120-I137 HydrophobicContact CG1-CG2 3.67Å; V120-L138 PolarHBondContact N-O 2.94Å; V120-V139 HydrophobicContact CG1-CG2 4.34Å; V120-V139 VanDerWaalsContact O-CA 3.23Å; V120-V139 WeakPolarHBondContact O-CA 3.42Å; V120-T140 PolarHBondContact O-N 3.42Å
121G95.6Very high95.1Very high15 Ų1542 Ų4216%0.15521%0.212CC..  trans-93.7-142.4171.200000112.5R123 Q127G121-R123 PolarHBondContact O-N 3.44Å; G121-Q127 PolarHBondContact O-NE2 2.68Å
122D94.2Very high95.3Very high112 Ų11242.6 Ų42.660%0.59922%0.219SC*.SBendtrans-75.554.2179.662-26.3000113.7F143D122-F143 HydrophobicContact CB-CB 4.13Å; D122-F143 HydrophobicContact CB-CD1 3.92Å; D122-F143 HydrophobicContact CB-CD2 3.95Å; D122-F143 HydrophobicContact CB-CE1 4.31Å; D122-F143 HydrophobicContact CB-CE2 4.36Å; D122-F143 HydrophobicContact CB-CG 3.74Å
123R94.2Very high95.5Very high110 Ų11045.4 Ų45.442%0.41523%0.23SC..  trans-126.485.8177.7-67.9-172.6176.1170.44.2112A102 M103 V120 G121 N125 V126 Q127A102-R123 PolarHBondContact O-NH1 3Å; A102-R123 VanDerWaalsContact O-NH1 3.11Å; M103-R123 PolarHBondContact O-NH1 2.76Å; V120-R123 HydrophobicContact CG2-CB 4.31Å; G121-R123 PolarHBondContact O-N 3.44Å; R123-N125 VanDerWaalsContact C-N 3.34Å; R123-N125 PolarHBondContact O-N 3.03Å; R123-V126 HydrophobicContact CB-CB 3.92Å; R123-V126 HydrophobicContact CB-CG2 3.93Å; R123-V126 WeakPolarHBondContact O-CB 3.5Å; R123-V126 PolarHBondContact O-N 2.6Å; R123-Q127 WeakPolarHBondContact O-CG 3.13Å; R123-Q127 PolarHBondContact O-N 3.3Å
124E95.8Very high95.8Very high84 Ų8446.2 Ų46.239%0.39323%0.229SC..Hα-helixtrans-51.7-47.4179.5-179.3170.9-169.500113V126 Q127 L128 S146 V149E124-V126 PolarHBondContact O-N 3.13Å; E124-Q127 WeakPolarHBondContact O-CA 3.26Å; E124-Q127 WeakPolarHBondContact O-CB 3.43Å; E124-Q127 PolarHBondContact O-N 2.96Å; E124-L128 HydrophobicContact CG-CD1 4.04Å; E124-L128 HydrophobicContact CG-CG 4.41Å; E124-L128 PolarHBondContact O-N 2.9Å; E124-S146 VanDerWaalsContact OE1-CB 3.26Å; E124-S146 WeakPolarHBondContact OE1-CB 2.82Å; E124-S146 PolarHBondContact OE1-OG 3.25Å; E124-V149 HydrophobicContact CG-CG2 4.02Å
125N95.1Very high96Very high106 Ų10638.4 Ų38.457%0.56720%0.196SC*.Hα-helixtrans-59.6-34.6178.9-66.9-14000113.1R123 L129R123-N125 VanDerWaalsContact C-N 3.34Å; R123-N125 PolarHBondContact O-N 3.03Å; N125-L129 WeakPolarHBondContact O-CB 3.19Å; N125-L129 PolarHBondContact O-N 2.55Å; N125-L129 VanDerWaalsContact O-N 3.17Å
126V95.9Very high96.2Very high5 Ų537 Ų373%0.0318%0.18CC..Hα-helixtrans-76-37.6176.91760000110.6I108 L118 V120 R123 E124 L129 A130I108-V126 HydrophobicContact CG2-CG1 4.42Å; L118-V126 HydrophobicContact CD2-CG1 3.82Å; V120-V126 HydrophobicContact CG2-CB 4.24Å; V120-V126 HydrophobicContact CG2-CG1 3.86Å; R123-V126 HydrophobicContact CB-CB 3.92Å; R123-V126 HydrophobicContact CB-CG2 3.93Å; R123-V126 WeakPolarHBondContact O-CB 3.5Å; R123-V126 PolarHBondContact O-N 2.6Å; E124-V126 PolarHBondContact O-N 3.13Å; V126-L129 PolarHBondContact O-N 3.13Å; V126-A130 WeakPolarHBondContact O-CB 3.48Å; V126-A130 PolarHBondContact O-N 3.43Å
127Q97.2Very high96.4Very high3 Ų336.8 Ų36.81%0.01418%0.179CC..Hα-helixtrans-60.3-53.4174.2-66.716815.200110.4V120 G121 R123 E124 L129 A130 L131 I137 V149V120-Q127 HydrophobicContact CG1-CG 3.67Å; G121-Q127 PolarHBondContact O-NE2 2.68Å; R123-Q127 WeakPolarHBondContact O-CG 3.13Å; R123-Q127 PolarHBondContact O-N 3.3Å; E124-Q127 WeakPolarHBondContact O-CA 3.26Å; E124-Q127 WeakPolarHBondContact O-CB 3.43Å; E124-Q127 PolarHBondContact O-N 2.96Å; Q127-L129 VanDerWaalsContact C-N 3.31Å; Q127-L129 PolarHBondContact O-N 3.38Å; Q127-A130 WeakPolarHBondContact O-CB 3.37Å; Q127-A130 PolarHBondContact O-N 3.4Å; Q127-L131 PolarHBondContact O-N 3.4Å; Q127-L131 VanDerWaalsContact O-N 3.13Å; Q127-I137 HydrophobicContact CB-CD1 3.83Å; Q127-I137 HydrophobicContact CG-CD1 4.42Å; Q127-I137 HydrophobicContact CG-CG2 4.29Å; Q127-I137 WeakPolarHBondContact O-CD1 3.31Å; Q127-V149 HydrophobicContact CB-CG1 4.23Å; Q127-V149 HydrophobicContact CB-CG2 4.01Å
128L97Very high96.5Very high44 Ų4436.8 Ų36.823%0.2318%0.179CC..Hα-helixtrans-58.2-42.7177.7-68.5171.7000112.4E124 A130 L131 E132 E148 V149 V152E124-L128 HydrophobicContact CG-CD1 4.04Å; E124-L128 HydrophobicContact CG-CG 4.41Å; E124-L128 PolarHBondContact O-N 2.9Å; L128-A130 VanDerWaalsContact C-N 3.3Å; L128-A130 PolarHBondContact O-N 3.39Å; L128-L131 PolarHBondContact O-N 2.94Å; L128-E132 PolarHBondContact O-N 3.31Å; L128-E148 HydrophobicContact CD1-CG 4.09Å; L128-E148 HydrophobicContact CD2-CG 3.93Å; L128-V149 HydrophobicContact CD2-CB 4.33Å; L128-V149 HydrophobicContact CD2-CG2 3.64Å; L128-V149 HydrophobicContact CG-CG2 3.78Å; L128-V152 HydrophobicContact CD2-CB 4.44Å; L128-V152 HydrophobicContact CD2-CG2 4.18Å
129L96.1Very high96.5Very high12 Ų1236.8 Ų36.86%0.06318%0.179CC..Hα-helixtrans-60.9-39.1175.8179.963.7000112.4Q105 I108 L109 L112 N125 V126 Q127 E132 K133Q105-L129 HydrophobicContact CG-CB 4.49Å; Q105-L129 HydrophobicContact CG-CD2 3.47Å; Q105-L129 VanDerWaalsContact CG-CD2 3.47Å; I108-L129 HydrophobicContact CG2-CD2 3.76Å; L109-L129 HydrophobicContact CD2-CD1 3.88Å; L109-L129 HydrophobicContact CD2-CD2 3.87Å; L109-L129 HydrophobicContact CD2-CG 4.22Å; L109-L129 HydrophobicContact CG-CD2 4Å; L112-L129 HydrophobicContact CD1-CD2 4.46Å; L112-L129 HydrophobicContact CD1-CG 4.23Å; N125-L129 WeakPolarHBondContact O-CB 3.19Å; N125-L129 PolarHBondContact O-N 2.55Å; N125-L129 VanDerWaalsContact O-N 3.17Å; V126-L129 PolarHBondContact O-N 3.13Å; Q127-L129 VanDerWaalsContact C-N 3.31Å; Q127-L129 PolarHBondContact O-N 3.38Å; L129-E132 PolarHBondContact O-N 3.17Å; L129-K133 HydrophobicContact CD1-CG 4.41Å; L129-K133 WeakPolarHBondContact O-CG 3.42Å; L129-K133 PolarHBondContact O-N 3Å
130A96.8Very high96.5Very high0 Ų036.9 Ų36.90%018%0.18CC..Hα-helixtrans-63.7-43.5178.200000111.7L112 L118 V126 Q127 L128 K133 H134 N135 I137L112-A130 HydrophobicContact CD2-CB 4.46Å; L118-A130 HydrophobicContact CB-CB 4.2Å; L118-A130 HydrophobicContact CD2-CB 3.54Å; V126-A130 WeakPolarHBondContact O-CB 3.48Å; V126-A130 PolarHBondContact O-N 3.43Å; Q127-A130 WeakPolarHBondContact O-CB 3.37Å; Q127-A130 PolarHBondContact O-N 3.4Å; L128-A130 VanDerWaalsContact C-N 3.3Å; L128-A130 PolarHBondContact O-N 3.39Å; A130-K133 CarbonylContact O-C 3.45Å; A130-K133 PolarHBondContact O-N 2.99Å; A130-H134 PolarHBondContact O-N 3.45Å; A130-N135 HydrophobicContact CB-CB 4.25Å; A130-N135 WeakPolarHBondContact O-CB 3.37Å; A130-N135 PolarHBondContact O-N 3.49Å; A130-I137 HydrophobicContact CB-CD1 4.15Å; A130-I137 HydrophobicContact CB-CG1 4.11Å
131L97.6Very high96.5Very high0 Ų038.6 Ų38.60%020%0.197CC..Hα-helixtrans-61-45.3174.7-65.9178000111.5Q127 L128 K133 H134 I137 V149 V152 A153 L156 I158 V160Q127-L131 PolarHBondContact O-N 3.4Å; Q127-L131 VanDerWaalsContact O-N 3.13Å; L128-L131 PolarHBondContact O-N 2.94Å; L131-K133 PolarHBondContact O-N 2.86Å; L131-H134 WeakPolarHBondContact O-CA 3.21Å; L131-H134 PolarHBondContact O-N 3.09Å; L131-I137 HydrophobicContact CD1-CD1 4.24Å; L131-I137 HydrophobicContact CD2-CD1 3.73Å; L131-I137 HydrophobicContact CD2-CG1 4.13Å; L131-I137 HydrophobicContact CG-CD1 3.6Å; L131-I137 HydrophobicContact CG-CG1 4.46Å; L131-V149 HydrophobicContact CD1-CG1 4.02Å; L131-V149 WeakPolarHBondContact CD1-O 3.38Å; L131-V152 HydrophobicContact CB-CG1 4.01Å; L131-V152 HydrophobicContact CD1-CB 3.98Å; L131-V152 HydrophobicContact CD1-CG1 3.8Å; L131-A153 HydrophobicContact CD1-CB 3.89Å; L131-A153 HydrophobicContact CD2-CB 4.07Å; L131-L156 HydrophobicContact CB-CD1 4.08Å; L131-L156 WeakPolarHBondContact O-CD1 3.26Å; L131-I158 HydrophobicContact CD2-CB 4.17Å; L131-I158 HydrophobicContact CD2-CG2 3.81Å; L131-V160 HydrophobicContact CD2-CG2 4.11Å
132E96Very high96.4Very high114 Ų11439.1 Ų39.153%0.53320%0.203SC..Hα-helixtrans-57.8-37.1176.5-165.3-149.6131.400111.7L128 L129 H134L128-E132 PolarHBondContact O-N 3.31Å; L129-E132 PolarHBondContact O-N 3.17Å; E132-H134 PolarHBondContact O-N 3.01Å
133K95.4Very high96.4Very high79 Ų7937.7 Ų37.734%0.34319%0.191SC..THydrogen-bonded Turntrans-86.815.9174.5-57.3-46.7-179.6-153.30113.8L109 L112 L129 A130 L131 N135L109-K133 HydrophobicContact CD2-CG 4.34Å; L112-K133 HydrophobicContact CB-CB 4.22Å; L112-K133 HydrophobicContact CD1-CB 4.04Å; L112-K133 HydrophobicContact CD1-CG 3.94Å; L129-K133 HydrophobicContact CD1-CG 4.41Å; L129-K133 WeakPolarHBondContact O-CG 3.42Å; L129-K133 PolarHBondContact O-N 3Å; A130-K133 CarbonylContact O-C 3.45Å; A130-K133 PolarHBondContact O-N 2.99Å; L131-K133 PolarHBondContact O-N 2.86Å; K133-N135 PolarHBondContact O-N 3.48Å; K133-N135 PolarHBondContact O-ND2 2.97Å
134H96.2Very high96.5Very high83 Ų8338.1 Ų38.138%0.38421%0.208SC..THydrogen-bonded Turntrans56.542.9178.4-56.9-73.6000114.8K114 G115 A130 L131 E132 I158K114-H134 HydrophobicContact CG-CB 4.1Å; G115-H134 WeakPolarHBondContact CA-O 3.21Å; G115-H134 PolarHBondContact N-O 3.26Å; A130-H134 PolarHBondContact O-N 3.45Å; L131-H134 WeakPolarHBondContact O-CA 3.21Å; L131-H134 PolarHBondContact O-N 3.09Å; E132-H134 PolarHBondContact O-N 3.01Å; H134-I158 HydrophobicContact CB-CD1 4.05Å
135N97.1Very high96.5Very high4 Ų434.9 Ų34.92%0.02119%0.194CC..  trans-105.1137.9172-73.5-107.2000109.9V113 G116 A130 K133 I158V113-N135 VanDerWaalsContact O-CG 3.27Å; V113-N135 PolarHBondContact O-ND2 3.48Å; V113-N135 PolarHBondContact O-OD1 3.03Å; G116-N135 VanDerWaalsContact C-OD1 3.32Å; G116-N135 VanDerWaalsContact CA-OD1 3.28Å; G116-N135 WeakPolarHBondContact CA-OD1 3.31Å; G116-N135 CarbonylContact O-C 3.59Å; G116-N135 WeakPolarHBondContact O-CA 3.45Å; G116-N135 WeakPolarHBondContact O-CB 3.22Å; G116-N135 PolarHBondContact O-OD1 3.35Å; A130-N135 HydrophobicContact CB-CB 4.25Å; A130-N135 WeakPolarHBondContact O-CB 3.37Å; A130-N135 PolarHBondContact O-N 3.49Å; K133-N135 PolarHBondContact O-N 3.48Å; K133-N135 PolarHBondContact O-ND2 2.97Å; N135-I158 VanDerWaalsContact O-CG2 3.3Å; N135-I158 WeakPolarHBondContact O-CG2 3.47Å
136A98Very high96.7Very high0 Ų031.4 Ų31.40%018%0.178CC..EExtended strand (participates in β ladder)trans-66.9156.3165.600000110.2Y73 G116 L117 L118 I158 P159Y73-A136 HydrophobicContact CD1-CB 3.61Å; Y73-A136 HydrophobicContact CD2-CB 4.35Å; Y73-A136 HydrophobicContact CE1-CB 3.34Å; Y73-A136 HydrophobicContact CE2-CB 4.13Å; Y73-A136 HydrophobicContact CG-CB 4.11Å; G116-A136 PolarHBondContact O-N 2.93Å; L117-A136 HydrophobicContact CD1-CB 3.93Å; L118-A136 PolarHBondContact N-O 2.87Å; A136-I158 HydrophobicContact CB-CG2 4.25Å; A136-P159 WeakPolarHBondContact CA-O 3.49Å; A136-P159 HydrophobicContact CB-CB 4.45Å
137I97.9Very high96.7Very high0 Ų037.5 Ų37.50%021%0.211CC..EExtended strand (participates in β ladder)trans-121133.6-176.1-59.1178.6000109.7L118 V120 Q127 A130 L131 V139 P159 V160 M161L118-I137 WeakPolarHBondContact O-CA 3.44Å; V120-I137 HydrophobicContact CG1-CG2 3.67Å; Q127-I137 HydrophobicContact CB-CD1 3.83Å; Q127-I137 HydrophobicContact CG-CD1 4.42Å; Q127-I137 HydrophobicContact CG-CG2 4.29Å; Q127-I137 WeakPolarHBondContact O-CD1 3.31Å; A130-I137 HydrophobicContact CB-CD1 4.15Å; A130-I137 HydrophobicContact CB-CG1 4.11Å; L131-I137 HydrophobicContact CD1-CD1 4.24Å; L131-I137 HydrophobicContact CD2-CD1 3.73Å; L131-I137 HydrophobicContact CD2-CG1 4.13Å; L131-I137 HydrophobicContact CG-CD1 3.6Å; L131-I137 HydrophobicContact CG-CG1 4.46Å; I137-V139 HydrophobicContact CG2-CG2 3.71Å; I137-P159 PolarHBondContact N-O 2.86Å; I137-V160 HydrophobicContact CB-CG1 4.38Å; I137-V160 HydrophobicContact CB-CG2 4.21Å; I137-V160 HydrophobicContact CD1-CG2 4.31Å; I137-V160 HydrophobicContact CG2-CG1 4.49Å; I137-M161 PolarHBondContact O-N 3.21Å
138L98Very high96.8Very high0 Ų040.7 Ų40.70%023%0.225CC..EExtended strand (participates in β ladder)trans-119.9107.9166.1179.254.1000109.1I76 S82 L117 L118 I119 V120 T140 M161 T163 V170 I174I76-L138 HydrophobicContact CG2-CD2 4.07Å; S82-L138 WeakPolarHBondContact OG-CD1 3.46Å; L117-L138 HydrophobicContact CD1-CB 4.12Å; L118-L138 PolarHBondContact O-N 3.4Å; I119-L138 WeakPolarHBondContact CA-O 3.39Å; V120-L138 PolarHBondContact N-O 2.94Å; L138-T140 HydrophobicContact CG-CG2 4.5Å; L138-M161 CarbonylContact C-O 3.58Å; L138-M161 WeakPolarHBondContact CA-O 3.33Å; L138-M161 HydrophobicContact CB-CE 4.32Å; L138-M161 HydrophobicContact CD1-CB 3.81Å; L138-T163 HydrophobicContact CD1-CG2 3.89Å; L138-T163 HydrophobicContact CG-CG2 4.4Å; L138-V170 HydrophobicContact CD2-CG1 3.32Å; L138-V170 HydrophobicContact CG-CG1 4.21Å; L138-I174 HydrophobicContact CD2-CD1 4.08Å
139V97.9Very high96.8Very high0 Ų038.6 Ų38.60%021%0.214CC..EExtended strand (participates in β ladder)trans-85.7122.7177.1-173.90000109.5V120 I137 F143 V145 M161 V162 T163V120-V139 HydrophobicContact CG1-CG2 4.34Å; V120-V139 VanDerWaalsContact O-CA 3.23Å; V120-V139 WeakPolarHBondContact O-CA 3.42Å; I137-V139 HydrophobicContact CG2-CG2 3.71Å; V139-F143 HydrophobicContact CG1-CB 4.05Å; V139-V145 HydrophobicContact CB-CG2 4.34Å; V139-V145 HydrophobicContact CG2-CG2 3.78Å; V139-M161 PolarHBondContact N-O 3.42Å; V139-V162 HydrophobicContact CB-CG1 4.5Å; V139-V162 HydrophobicContact CB-CG2 4.11Å; V139-V162 WeakPolarHBondContact O-CA 3.46Å; V139-T163 PolarHBondContact O-N 2.88Å
140T97.5Very high96.9Very high2 Ų240.1 Ų40.11%0.01222%0.222CC..  trans-103.2154.1-176.659.90000111.7I119 V120 L138 F143 T163 Y165 T167 V170I119-T140 HydrophobicContact CG2-CG2 3.39Å; V120-T140 PolarHBondContact O-N 3.42Å; L138-T140 HydrophobicContact CG-CG2 4.5Å; T140-F143 WeakPolarHBondContact O-CD2 3.11Å; T140-F143 WeakPolarHBondContact O-CE2 3.48Å; T140-T163 CarbonylContact C-O 3.51Å; T140-T163 HydrophobicContact CG2-CG2 4.13Å; T140-Y165 WeakPolarHBondContact CB-O 3.46Å; T140-T167 PolarHBondContact OG1-OG1 3.38Å; T140-V170 HydrophobicContact CG2-CB 4.07Å; T140-V170 HydrophobicContact CG2-CG1 4.22Å; T140-V170 HydrophobicContact CG2-CG2 3.8Å
141G96.2Very high97Very high37 Ų3745.9 Ų45.938%0.38124%0.244SC..SBendtrans84.26.5-179.100000114.9F143 T163 Y165G141-F143 VanDerWaalsContact C-N 3.28Å; G141-F143 PolarHBondContact O-N 3.35Å; G141-T163 PolarHBondContact N-O 3.17Å; G141-T163 VanDerWaalsContact N-O 3.1Å; G141-Y165 PolarHBondContact N-O 2.69Å
142G94.2Very high97Very high26 Ų2647.3 Ų47.327%0.26825%0.253SS..SBendtrans70.620.8178.500000114.4T163G142-T163 PolarHBondContact N-O 2.82Å
143F95.2Very high97.1Very high82 Ų8241.9 Ų41.936%0.3623%0.227SC..  trans-65.4142.5177.8-63.2-64.8000111.4D122 V139 T140 G141D122-F143 HydrophobicContact CB-CB 4.13Å; D122-F143 HydrophobicContact CB-CD1 3.92Å; D122-F143 HydrophobicContact CB-CD2 3.95Å; D122-F143 HydrophobicContact CB-CE1 4.31Å; D122-F143 HydrophobicContact CB-CE2 4.36Å; D122-F143 HydrophobicContact CB-CG 3.74Å; V139-F143 HydrophobicContact CG1-CB 4.05Å; T140-F143 WeakPolarHBondContact O-CD2 3.11Å; T140-F143 WeakPolarHBondContact O-CE2 3.48Å; G141-F143 VanDerWaalsContact C-N 3.28Å; G141-F143 PolarHBondContact O-N 3.35Å
144P94.6Very high97.3Very high119 Ų11942.3 Ų42.377%0.77323%0.234SC*.  trans-64.4150.517529.1-34.9000110.6
145V97.4Very high97.4Very high17 Ų1745.2 Ų45.210%0.10325%0.247CC..  trans-108.9135.5174.3178.20000108L85 V139 V149 I150 V160 V162L85-V145 HydrophobicContact CD1-CB 3.9Å; L85-V145 HydrophobicContact CD1-CG2 3.88Å; V139-V145 HydrophobicContact CB-CG2 4.34Å; V139-V145 HydrophobicContact CG2-CG2 3.78Å; V145-V149 HydrophobicContact CG1-CB 3.6Å; V145-V149 HydrophobicContact CG1-CG1 3.45Å; V145-V149 VanDerWaalsContact CG1-CG1 3.45Å; V145-V149 HydrophobicContact CG1-CG2 4.46Å; V145-I150 HydrophobicContact CG1-CG1 4.09Å; V145-V160 HydrophobicContact CG1-CG1 4.12Å; V145-V160 HydrophobicContact CG2-CG1 4.27Å; V145-V162 HydrophobicContact CG2-CG2 3.65Å
146S97.7Very high97.4Very high32 Ų3248.2 Ų48.222%0.22426%0.263CS..  trans-69.9153-179.170.60000112.2E124 E148 V149 I150E124-S146 VanDerWaalsContact OE1-CB 3.26Å; E124-S146 WeakPolarHBondContact OE1-CB 2.82Å; E124-S146 PolarHBondContact OE1-OG 3.25Å; S146-E148 PolarHBondContact O-N 2.87Å; S146-V149 PolarHBondContact O-N 2.88Å; S146-V149 VanDerWaalsContact O-N 3.11Å; S146-V149 WeakPolarHBondContact OG-CG2 3.43Å; S146-V149 PolarHBondContact OG-N 2.86Å; S146-I150 PolarHBondContact O-N 3.01Å; S146-I150 VanDerWaalsContact O-N 3.12Å
147D97.7Very high97.3Very high133 Ų13348.7 Ų48.771%0.71127%0.268SS*.Hα-helixtrans-58.8-29.6175.5-66.7-26.2000112.2I150 R151D147-I150 PolarHBondContact O-N 2.81Å; D147-R151 WeakPolarHBondContact O-CB 3.5Å; D147-R151 PolarHBondContact O-N 3.29Å
148E98Very high97.3Very high70 Ų7049 Ų4933%0.32727%0.269SS..Hα-helixtrans-61.7-49.5174.7-17661.7-155.400111.3L128 S146 I150 R151 V152L128-E148 HydrophobicContact CD1-CG 4.09Å; L128-E148 HydrophobicContact CD2-CG 3.93Å; S146-E148 PolarHBondContact O-N 2.87Å; E148-I150 VanDerWaalsContact C-N 3.35Å; E148-I150 PolarHBondContact O-N 2.92Å; E148-R151 PolarHBondContact O-N 3.21Å; E148-R151 IonicContact OE1-CZ 3Å; E148-R151 IonicContact OE1-NH2 3.51Å; E148-R151 PolarHBondContact OE1-NH2 3.14Å; E148-R151 IonicContact OE2-CZ 3.73Å; E148-R151 IonicContact OE2-NH1 3.76Å; E148-R151 PolarHBondContact OE2-NH1 3.3Å; E148-R151 IonicContact OE2-NH2 3.48Å; E148-R151 PolarHBondContact OE2-NH2 3.08Å; E148-V152 VanDerWaalsContact O-CG2 3.31Å; E148-V152 WeakPolarHBondContact O-CG2 3.4Å; E148-V152 PolarHBondContact O-N 2.85Å
149V98.2Very high97.3Very high0 Ų049 Ų490%027%0.27CS..Hα-helixtrans-63.2-42.6178.6172.90000110.7E124 Q127 L128 L131 V145 S146 A153 V160E124-V149 HydrophobicContact CG-CG2 4.02Å; Q127-V149 HydrophobicContact CB-CG1 4.23Å; Q127-V149 HydrophobicContact CB-CG2 4.01Å; L128-V149 HydrophobicContact CD2-CB 4.33Å; L128-V149 HydrophobicContact CD2-CG2 3.64Å; L128-V149 HydrophobicContact CG-CG2 3.78Å; L131-V149 HydrophobicContact CD1-CG1 4.02Å; L131-V149 WeakPolarHBondContact CD1-O 3.38Å; V145-V149 HydrophobicContact CG1-CB 3.6Å; V145-V149 HydrophobicContact CG1-CG1 3.45Å; V145-V149 VanDerWaalsContact CG1-CG1 3.45Å; V145-V149 HydrophobicContact CG1-CG2 4.46Å; S146-V149 PolarHBondContact O-N 2.88Å; S146-V149 VanDerWaalsContact O-N 3.11Å; S146-V149 WeakPolarHBondContact OG-CG2 3.43Å; S146-V149 PolarHBondContact OG-N 2.86Å; V149-A153 WeakPolarHBondContact O-CB 3.16Å; V149-A153 PolarHBondContact O-N 3.22Å; V149-V160 HydrophobicContact CG1-CG1 4.44Å; V149-V160 HydrophobicContact CG1-CG2 4.18Å
150I98.3Very high97.4Very high45 Ų4549 Ų4923%0.23127%0.27CS..Hα-helixtrans-59.1-50.1176.8-69.4172.1000110.6A86 V145 S146 D147 E148 V152 A153 D154A86-I150 HydrophobicContact CB-CB 4.36Å; A86-I150 HydrophobicContact CB-CG2 4.03Å; V145-I150 HydrophobicContact CG1-CG1 4.09Å; S146-I150 PolarHBondContact O-N 3.01Å; S146-I150 VanDerWaalsContact O-N 3.12Å; D147-I150 PolarHBondContact O-N 2.81Å; E148-I150 VanDerWaalsContact C-N 3.35Å; E148-I150 PolarHBondContact O-N 2.92Å; I150-V152 PolarHBondContact O-N 3.4Å; I150-A153 WeakPolarHBondContact O-CB 3.31Å; I150-A153 PolarHBondContact O-N 2.94Å; I150-D154 PolarHBondContact O-N 3.5Å
151R98.3Very high97.4Very high120 Ų12048.9 Ų48.945%0.45327%0.269SS..Hα-helixtrans-60.4-49.3-178.8-169.2-17873.6-116.3-0.3111.8D147 E148 A153 D154 E155D147-R151 WeakPolarHBondContact O-CB 3.5Å; D147-R151 PolarHBondContact O-N 3.29Å; E148-R151 PolarHBondContact O-N 3.21Å; E148-R151 IonicContact OE1-CZ 3Å; E148-R151 IonicContact OE1-NH2 3.51Å; E148-R151 PolarHBondContact OE1-NH2 3.14Å; E148-R151 IonicContact OE2-CZ 3.73Å; E148-R151 IonicContact OE2-NH1 3.76Å; E148-R151 PolarHBondContact OE2-NH1 3.3Å; E148-R151 IonicContact OE2-NH2 3.48Å; E148-R151 PolarHBondContact OE2-NH2 3.08Å; R151-A153 VanDerWaalsContact C-N 3.29Å; R151-A153 PolarHBondContact O-N 2.95Å; R151-D154 PolarHBondContact O-N 3Å; R151-E155 IonicContact NE-OE1 3.7Å; R151-E155 WeakPolarHBondContact O-CG 3.49Å; R151-E155 PolarHBondContact O-N 2.87Å
152V98.1Very high97.5Very high30 Ų3048 Ų4818%0.18226%0.256CS..Hα-helixtrans-61.9-38.6178.9174.60000111.3L128 L131 E148 I150 L156L128-V152 HydrophobicContact CD2-CB 4.44Å; L128-V152 HydrophobicContact CD2-CG2 4.18Å; L131-V152 HydrophobicContact CB-CG1 4.01Å; L131-V152 HydrophobicContact CD1-CB 3.98Å; L131-V152 HydrophobicContact CD1-CG1 3.8Å; E148-V152 VanDerWaalsContact O-CG2 3.31Å; E148-V152 WeakPolarHBondContact O-CG2 3.4Å; E148-V152 PolarHBondContact O-N 2.85Å; I150-V152 PolarHBondContact O-N 3.4Å; V152-L156 HydrophobicContact CG1-CD1 3.87Å; V152-L156 WeakPolarHBondContact O-CB 3.19Å; V152-L156 VanDerWaalsContact O-CG 3.29Å; V152-L156 WeakPolarHBondContact O-CG 3.37Å; V152-L156 PolarHBondContact O-N 3.1Å; V152-L156 VanDerWaalsContact O-N 3.1Å
153A98.4Very high97.7Very high0 Ų046.9 Ų46.90%024%0.244CC..Hα-helixtrans-65.3-43178.400000113A86 L131 V149 I150 R151 L156 G157 I158 V160A86-A153 HydrophobicContact CB-CB 3.67Å; L131-A153 HydrophobicContact CD1-CB 3.89Å; L131-A153 HydrophobicContact CD2-CB 4.07Å; V149-A153 WeakPolarHBondContact O-CB 3.16Å; V149-A153 PolarHBondContact O-N 3.22Å; I150-A153 WeakPolarHBondContact O-CB 3.31Å; I150-A153 PolarHBondContact O-N 2.94Å; R151-A153 VanDerWaalsContact C-N 3.29Å; R151-A153 PolarHBondContact O-N 2.95Å; A153-L156 PolarHBondContact O-N 3.49Å; A153-G157 WeakPolarHBondContact O-CA 3.31Å; A153-G157 PolarHBondContact O-N 2.98Å; A153-I158 WeakPolarHBondContact CB-O 3.5Å; A153-I158 PolarHBondContact O-N 2.86Å; A153-V160 HydrophobicContact CB-CB 4.38Å; A153-V160 HydrophobicContact CB-CG2 3.37Å
154D98.2Very high97.8Very high89 Ų8950.9 Ų50.948%0.47626%0.263SS..Hα-helixtrans-66.3-44175.8-82.9-29.5000112G87 I150 R151 L156 G157G87-D154 PolarHBondContact N-OD1 2.87Å; I150-D154 PolarHBondContact O-N 3.5Å; R151-D154 PolarHBondContact O-N 3Å; D154-L156 VanDerWaalsContact C-N 3.26Å; D154-L156 PolarHBondContact O-N 2.93Å; D154-G157 PolarHBondContact O-N 3.22Å
155E97.7Very high97.9Very high143 Ų14349.5 Ų49.567%0.66824%0.244SC*.Hα-helixtrans-57-39.7175.6-75.4175.4-167.800112.1R151R151-E155 IonicContact NE-OE1 3.7Å; R151-E155 WeakPolarHBondContact O-CG 3.49Å; R151-E155 PolarHBondContact O-N 2.87Å
156L97.2Very high97.9Very high67 Ų6752.5 Ų52.535%0.35126%0.259SS..Hα-helixtrans-85.1-12.2178.6-64.4173.7000113.6L131 V152 A153 D154 I158L131-L156 HydrophobicContact CB-CD1 4.08Å; L131-L156 WeakPolarHBondContact O-CD1 3.26Å; V152-L156 HydrophobicContact CG1-CD1 3.87Å; V152-L156 WeakPolarHBondContact O-CB 3.19Å; V152-L156 VanDerWaalsContact O-CG 3.29Å; V152-L156 WeakPolarHBondContact O-CG 3.37Å; V152-L156 PolarHBondContact O-N 3.1Å; V152-L156 VanDerWaalsContact O-N 3.1Å; A153-L156 PolarHBondContact O-N 3.49Å; D154-L156 VanDerWaalsContact C-N 3.26Å; D154-L156 PolarHBondContact O-N 2.93Å; L156-I158 VanDerWaalsContact C-N 3.32Å; L156-I158 HydrophobicContact CB-CB 4.35Å; L156-I158 HydrophobicContact CB-CD1 3.83Å; L156-I158 HydrophobicContact CB-CG1 3.84Å; L156-I158 HydrophobicContact CD1-CD1 4.2Å
157G97.2Very high97.8Very high10 Ų1053.3 Ų53.310%0.10326%0.262CS..THydrogen-bonded Turntrans59.141.2-17100000112.6G90 A153 D154G90-G157 VanDerWaalsContact CA-O 3.28Å; G90-G157 WeakPolarHBondContact CA-O 3.4Å; G90-G157 PolarHBondContact N-O 3.46Å; A153-G157 WeakPolarHBondContact O-CA 3.31Å; A153-G157 PolarHBondContact O-N 2.98Å; D154-G157 PolarHBondContact O-N 3.22Å
158I98.1Very high97.7Very high6 Ų654.3 Ų54.33%0.03126%0.261CS..  trans-114.8123.1-177.3-65.2-179.6000109.4G87 L131 H134 N135 A136 A153 L156 V160G87-I158 WeakPolarHBondContact CA-O 3.42Å; L131-I158 HydrophobicContact CD2-CB 4.17Å; L131-I158 HydrophobicContact CD2-CG2 3.81Å; H134-I158 HydrophobicContact CB-CD1 4.05Å; N135-I158 VanDerWaalsContact O-CG2 3.3Å; N135-I158 WeakPolarHBondContact O-CG2 3.47Å; A136-I158 HydrophobicContact CB-CG2 4.25Å; A153-I158 WeakPolarHBondContact CB-O 3.5Å; A153-I158 PolarHBondContact O-N 2.86Å; L156-I158 VanDerWaalsContact C-N 3.32Å; L156-I158 HydrophobicContact CB-CB 4.35Å; L156-I158 HydrophobicContact CB-CD1 3.83Å; L156-I158 HydrophobicContact CB-CG1 3.84Å; L156-I158 HydrophobicContact CD1-CD1 4.2Å; I158-V160 PolarHBondContact O-N 3.2Å
159P98.2Very high97.6Very high1 Ų152.8 Ų52.81%0.00626%0.257CS..  trans-60.4134.8-175-26.935.7000114Y73 A86 L91 A136 I137 M161Y73-P159 HydrophobicContact CD2-CG 3.93Å; Y73-P159 HydrophobicContact CG-CG 4.16Å; A86-P159 WeakPolarHBondContact O-CA 3.48Å; L91-P159 HydrophobicContact CD2-CB 3.96Å; L91-P159 HydrophobicContact CD2-CG 3.94Å; L91-P159 HydrophobicContact CG-CG 4.25Å; A136-P159 WeakPolarHBondContact CA-O 3.49Å; A136-P159 HydrophobicContact CB-CB 4.45Å; I137-P159 PolarHBondContact N-O 2.86Å; P159-M161 HydrophobicContact CB-CG 4.41Å
160V98.4Very high97.5Very high0 Ų052.8 Ų52.80%026%0.257CS..EExtended strand (participates in β ladder)trans-116.6123.3162.3178.70000107.9L85 A86 L131 I137 V145 V149 A153 I158L85-V160 PolarHBondContact N-O 3.39Å; A86-V160 HydrophobicContact CB-CB 4.21Å; A86-V160 PolarHBondContact N-O 3.27Å; A86-V160 PolarHBondContact O-N 2.86Å; A86-V160 VanDerWaalsContact O-N 3.09Å; L131-V160 HydrophobicContact CD2-CG2 4.11Å; I137-V160 HydrophobicContact CB-CG1 4.38Å; I137-V160 HydrophobicContact CB-CG2 4.21Å; I137-V160 HydrophobicContact CD1-CG2 4.31Å; I137-V160 HydrophobicContact CG2-CG1 4.49Å; V145-V160 HydrophobicContact CG1-CG1 4.12Å; V145-V160 HydrophobicContact CG2-CG1 4.27Å; V149-V160 HydrophobicContact CG1-CG1 4.44Å; V149-V160 HydrophobicContact CG1-CG2 4.18Å; A153-V160 HydrophobicContact CB-CB 4.38Å; A153-V160 HydrophobicContact CB-CG2 3.37Å; I158-V160 PolarHBondContact O-N 3.2Å
161M98.2Very high97.4Very high0 Ų051 Ų510%025%0.248CC..EExtended strand (participates in β ladder)trans-124.6148-174-57.5172.2-67.600109.3I76 A77 E83 V84 L117 I137 L138 V139 P159I76-M161 HydrophobicContact CG2-CE 4.4Å; A77-M161 HydrophobicContact CB-SD 3.68Å; E83-M161 CarbonylContact O-C 3.53Å; E83-M161 VanDerWaalsContact O-CA 3.23Å; E83-M161 WeakPolarHBondContact O-CA 3.2Å; V84-M161 HydrophobicContact CG2-CG 4.26Å; L117-M161 HydrophobicContact CD1-CE 3.81Å; I137-M161 PolarHBondContact O-N 3.21Å; L138-M161 CarbonylContact C-O 3.58Å; L138-M161 WeakPolarHBondContact CA-O 3.33Å; L138-M161 HydrophobicContact CB-CE 4.32Å; L138-M161 HydrophobicContact CD1-CB 3.81Å; V139-M161 PolarHBondContact N-O 3.42Å; P159-M161 HydrophobicContact CB-CG 4.41Å
162V98.3Very high97.1Very high18 Ų1848.4 Ų48.411%0.10925%0.246CC..EExtended strand (participates in β ladder)trans-129.3136177.9-1760000109.8S82 E83 L85 V139 V145S82-V162 CarbonylContact C-O 3.51Å; S82-V162 WeakPolarHBondContact CA-O 3.47Å; S82-V162 WeakPolarHBondContact CB-O 3.21Å; E83-V162 PolarHBondContact N-O 3.43Å; E83-V162 PolarHBondContact O-N 3.16Å; L85-V162 HydrophobicContact CD1-CB 4.39Å; L85-V162 HydrophobicContact CD1-CG2 3.32Å; L85-V162 HydrophobicContact CG-CG2 3.83Å; V139-V162 HydrophobicContact CB-CG1 4.5Å; V139-V162 HydrophobicContact CB-CG2 4.11Å; V139-V162 WeakPolarHBondContact O-CA 3.46Å; V145-V162 HydrophobicContact CG2-CG2 3.65Å
163T98.1Very high96.9Very high3 Ų349.6 Ų49.62%0.01825%0.25CC..  trans-131.7148.2173.5-179.70000110.9S80 S82 L138 V139 T140 G141 G142 Y165 V170S80-T163 VanDerWaalsContact O-CB 3.26Å; S80-T163 WeakPolarHBondContact O-CB 3.46Å; S80-T163 PolarHBondContact O-OG1 3.21Å; S82-T163 WeakPolarHBondContact OG-CB 3.23Å; L138-T163 HydrophobicContact CD1-CG2 3.89Å; L138-T163 HydrophobicContact CG-CG2 4.4Å; V139-T163 PolarHBondContact O-N 2.88Å; T140-T163 CarbonylContact C-O 3.51Å; T140-T163 HydrophobicContact CG2-CG2 4.13Å; G141-T163 PolarHBondContact N-O 3.17Å; G141-T163 VanDerWaalsContact N-O 3.1Å; G142-T163 PolarHBondContact N-O 2.82Å; T163-Y165 VanDerWaalsContact C-N 3.27Å; T163-Y165 VanDerWaalsContact OG1-CD2 3.27Å; T163-Y165 WeakPolarHBondContact OG1-CD2 3.35Å; T163-Y165 PolarHBondContact OG1-N 2.9Å; T163-V170 HydrophobicContact CG2-CG2 3.55Å
164H97.6Very high96.5Very high165 Ų16549.6 Ų49.676%0.76425%0.25SC*.SBendtrans-76.6-12.9174.5-71.4-71.4000113.3
165Y97.6Very high96.1Very high91 Ų9149.8 Ų49.836%0.35725%0.251SS..SBendtrans-68.9148.2174.8-63.1-52.3000111.9D81 T140 G141 T163 T169 M173D81-Y165 HydrophobicContact CB-CE2 3.85Å; T140-Y165 WeakPolarHBondContact CB-O 3.46Å; G141-Y165 PolarHBondContact N-O 2.69Å; T163-Y165 VanDerWaalsContact C-N 3.27Å; T163-Y165 VanDerWaalsContact OG1-CD2 3.27Å; T163-Y165 WeakPolarHBondContact OG1-CD2 3.35Å; T163-Y165 PolarHBondContact OG1-N 2.9Å; Y165-T169 HydrophobicContact CD1-CG2 4.05Å; Y165-T169 HydrophobicContact CG-CG2 4.02Å; Y165-M173 HydrophobicContact CD2-CE 4.05Å; Y165-M173 HydrophobicContact CD2-SD 4.15Å; Y165-M173 HydrophobicContact CE1-CE 4.46Å; Y165-M173 HydrophobicContact CE2-CE 3.9Å; Y165-M173 HydrophobicContact CE2-SD 4.32Å; Y165-M173 HydrophobicContact CG-CE 4.42Å
166D96.5Very high95.5Very high79 Ų7948.2 Ų48.242%0.42224%0.244SC..  trans-70.7164.417370.887.2000112F168 T169 V170D166-F168 VanDerWaalsContact C-N 3.32Å; D166-F168 PolarHBondContact O-N 2.6Å; D166-F168 WeakPolarHBondContact OD1-CA 3.48Å; D166-F168 WeakPolarHBondContact OD1-CB 3.5Å; D166-F168 PolarHBondContact OD1-N 3.36Å; D166-T169 PolarHBondContact O-N 2.89Å; D166-T169 PolarHBondContact OD1-N 2.88Å; D166-T169 VanDerWaalsContact OD2-CB 3.3Å; D166-T169 WeakPolarHBondContact OD2-CB 3.28Å; D166-T169 PolarHBondContact OD2-OG1 3.37Å; D166-V170 WeakPolarHBondContact O-CG2 3.34Å; D166-V170 PolarHBondContact O-N 3.26Å; D166-V170 VanDerWaalsContact O-N 3.07Å
167T96Very high95.1Very high49 Ų4945.7 Ų45.730%0.30123%0.232SC..Hα-helixtrans-57.8-38.5-176.9-540000113.7I100 I119 T140 A171I100-T167 HydrophobicContact CD1-CG2 4.36Å; I100-T167 HydrophobicContact CG1-CG2 4.39Å; I100-T167 HydrophobicContact CG2-CG2 3.47Å; I100-T167 VanDerWaalsContact CG2-CG2 3.47Å; I119-T167 HydrophobicContact CG2-CG2 3.97Å; T140-T167 PolarHBondContact OG1-OG1 3.38Å; T167-A171 VanDerWaalsContact O-CB 3.27Å; T167-A171 WeakPolarHBondContact O-CB 3.47Å; T167-A171 PolarHBondContact O-N 3.15Å
168F96Very high94.4Very high154 Ų15446.2 Ų46.268%0.67523%0.232SC*.Hα-helixtrans-70.4-44.3-178.4171.8-97.5000111D166 V170 A171 T172D166-F168 VanDerWaalsContact C-N 3.32Å; D166-F168 PolarHBondContact O-N 2.6Å; D166-F168 WeakPolarHBondContact OD1-CA 3.48Å; D166-F168 WeakPolarHBondContact OD1-CB 3.5Å; D166-F168 PolarHBondContact OD1-N 3.36Å; F168-V170 PolarHBondContact O-N 3.05Å; F168-A171 PolarHBondContact O-N 2.74Å; F168-T172 WeakPolarHBondContact O-CB 3.43Å; F168-T172 PolarHBondContact O-N 2.81Å; F168-T172 PolarHBondContact O-OG1 3.36Å
169T96.2Very high93.6Very high39 Ų3946.8 Ų46.824%0.23924%0.236CC..Hα-helixtrans-57.4-49.8175.8-64.60000110.9Y165 D166 T172 M173Y165-T169 HydrophobicContact CD1-CG2 4.05Å; Y165-T169 HydrophobicContact CG-CG2 4.02Å; D166-T169 PolarHBondContact O-N 2.89Å; D166-T169 PolarHBondContact OD1-N 2.88Å; D166-T169 VanDerWaalsContact OD2-CB 3.3Å; D166-T169 WeakPolarHBondContact OD2-CB 3.28Å; D166-T169 PolarHBondContact OD2-OG1 3.37Å; T169-T172 PolarHBondContact O-N 2.84Å; T169-M173 HydrophobicContact CG2-CE 3.54Å; T169-M173 HydrophobicContact CG2-SD 4.16Å; T169-M173 WeakPolarHBondContact O-CG 3.36Å; T169-M173 PolarHBondContact O-N 3.42Å
170V96Very high92.8Very high0 Ų049.9 Ų49.90%025%0.252CS..Hα-helixtrans-61.9-47.3178.4173.30000112I119 L138 T140 T163 D166 F168 T172 M173 I174I119-V170 HydrophobicContact CD1-CG1 4.09Å; I119-V170 HydrophobicContact CG2-CG1 4.38Å; L138-V170 HydrophobicContact CD2-CG1 3.32Å; L138-V170 HydrophobicContact CG-CG1 4.21Å; T140-V170 HydrophobicContact CG2-CB 4.07Å; T140-V170 HydrophobicContact CG2-CG1 4.22Å; T140-V170 HydrophobicContact CG2-CG2 3.8Å; T163-V170 HydrophobicContact CG2-CG2 3.55Å; D166-V170 WeakPolarHBondContact O-CG2 3.34Å; D166-V170 PolarHBondContact O-N 3.26Å; D166-V170 VanDerWaalsContact O-N 3.07Å; F168-V170 PolarHBondContact O-N 3.05Å; V170-T172 VanDerWaalsContact C-N 3.26Å; V170-T172 PolarHBondContact O-N 2.82Å; V170-M173 PolarHBondContact O-N 3.17Å; V170-I174 HydrophobicContact CG1-CD1 3.8Å; V170-I174 HydrophobicContact CG1-CG1 4.43Å; V170-I174 VanDerWaalsContact O-CG1 3.31Å; V170-I174 WeakPolarHBondContact O-CG1 3.45Å; V170-I174 PolarHBondContact O-N 3.1Å
171A94.4Very high92Very high7 Ų751.7 Ų51.76%0.05826%0.262CS..Hα-helixtrans-60.1-38.6178.200000111.9F98 I100 I119 T167 F168 N175F98-A171 HydrophobicContact CE2-CB 4.4Å; I100-A171 HydrophobicContact CD1-CB 3.71Å; I100-A171 HydrophobicContact CG1-CB 4.5Å; I119-A171 HydrophobicContact CD1-CB 4.33Å; T167-A171 VanDerWaalsContact O-CB 3.27Å; T167-A171 WeakPolarHBondContact O-CB 3.47Å; T167-A171 PolarHBondContact O-N 3.15Å; F168-A171 PolarHBondContact O-N 2.74Å; A171-N175 WeakPolarHBondContact O-CB 3.35Å; A171-N175 PolarHBondContact O-N 3.28Å; A171-N175 PolarHBondContact O-ND2 3.33Å; A171-N175 VanDerWaalsContact O-ND2 3.13Å
172T93Very high91Very high65 Ų6554.7 Ų54.740%0.39927%0.273SS..Hα-helixtrans-65.5-46.3176.3-59.20000111.5F168 T169 V170 I174 N175 H176F168-T172 WeakPolarHBondContact O-CB 3.43Å; F168-T172 PolarHBondContact O-N 2.81Å; F168-T172 PolarHBondContact O-OG1 3.36Å; T169-T172 PolarHBondContact O-N 2.84Å; V170-T172 VanDerWaalsContact C-N 3.26Å; V170-T172 PolarHBondContact O-N 2.82Å; T172-I174 VanDerWaalsContact C-N 3.35Å; T172-I174 PolarHBondContact O-N 3.12Å; T172-N175 PolarHBondContact O-N 2.74Å; T172-H176 WeakPolarHBondContact O-CB 3.4Å; T172-H176 PolarHBondContact O-N 2.94Å
173M93.3Very high90Very high55 Ų5555.5 Ų55.527%0.27128%0.276SS..Hα-helixtrans-59.2-44.7176.4-70.6172.6174.900112I79 Y165 T169 V170 H176 A177I79-M173 HydrophobicContact CG2-CB 3.91Å; Y165-M173 HydrophobicContact CD2-CE 4.05Å; Y165-M173 HydrophobicContact CD2-SD 4.15Å; Y165-M173 HydrophobicContact CE1-CE 4.46Å; Y165-M173 HydrophobicContact CE2-CE 3.9Å; Y165-M173 HydrophobicContact CE2-SD 4.32Å; Y165-M173 HydrophobicContact CG-CE 4.42Å; T169-M173 HydrophobicContact CG2-CE 3.54Å; T169-M173 HydrophobicContact CG2-SD 4.16Å; T169-M173 WeakPolarHBondContact O-CG 3.36Å; T169-M173 PolarHBondContact O-N 3.42Å; V170-M173 PolarHBondContact O-N 3.17Å; M173-H176 PolarHBondContact O-N 3.26Å; M173-A177 PolarHBondContact O-N 3.11Å
174I91.5Very high88.8Confident0 Ų062.7 Ų62.70%031%0.308CS..Hα-helixtrans-66.3-45.4178.6-66.1175.8000110.9I76 F98 L117 I119 L138 V170 T172 H176 A177 F178I76-I174 HydrophobicContact CD1-CD1 4.48Å; I76-I174 HydrophobicContact CD1-CG1 4.08Å; I76-I174 HydrophobicContact CD1-CG2 4.19Å; I76-I174 HydrophobicContact CG2-CD1 3.96Å; I76-I174 HydrophobicContact CG2-CG1 4.32Å; F98-I174 HydrophobicContact CD1-CG2 3.66Å; F98-I174 HydrophobicContact CE1-CG2 3.64Å; F98-I174 HydrophobicContact CG-CG2 4.15Å; F98-I174 HydrophobicContact CZ-CG2 4.11Å; L117-I174 HydrophobicContact CD2-CD1 3.91Å; I119-I174 HydrophobicContact CD1-CD1 3.9Å; I119-I174 HydrophobicContact CG1-CD1 4.45Å; L138-I174 HydrophobicContact CD2-CD1 4.08Å; V170-I174 HydrophobicContact CG1-CD1 3.8Å; V170-I174 HydrophobicContact CG1-CG1 4.43Å; V170-I174 VanDerWaalsContact O-CG1 3.31Å; V170-I174 WeakPolarHBondContact O-CG1 3.45Å; V170-I174 PolarHBondContact O-N 3.1Å; T172-I174 VanDerWaalsContact C-N 3.35Å; T172-I174 PolarHBondContact O-N 3.12Å; I174-H176 VanDerWaalsContact C-N 3.31Å; I174-H176 PolarHBondContact O-N 2.91Å; I174-A177 WeakPolarHBondContact O-CB 3.34Å; I174-A177 PolarHBondContact O-N 3.28Å; I174-F178 HydrophobicContact CG2-CD2 3.72Å; I174-F178 HydrophobicContact CG2-CE2 3.54Å; I174-F178 VanDerWaalsContact O-CD2 3.29Å; I174-F178 WeakPolarHBondContact O-CD2 3.36Å; I174-F178 PolarHBondContact O-N 3.12Å
175N88.1Confident87.6Confident93 Ų9358 Ų5850%0.49729%0.29SS..Hα-helixtrans-59.2-41.7175.6-82.6-37000112.1F98 A171 T172 A177 F178 S179F98-N175 WeakPolarHBondContact CE1-OD1 3.46Å; F98-N175 VanDerWaalsContact CZ-OD1 3.31Å; F98-N175 WeakPolarHBondContact CZ-OD1 3.31Å; A171-N175 WeakPolarHBondContact O-CB 3.35Å; A171-N175 PolarHBondContact O-N 3.28Å; A171-N175 PolarHBondContact O-ND2 3.33Å; A171-N175 VanDerWaalsContact O-ND2 3.13Å; T172-N175 PolarHBondContact O-N 2.74Å; N175-A177 VanDerWaalsContact C-N 3.35Å; N175-F178 PolarHBondContact O-N 3.19Å; N175-S179 PolarHBondContact O-N 3.36Å
176H86.5Confident86.4Confident111 Ų11157.5 Ų57.551%0.51429%0.294SS..Hα-helixtrans-63.5-40.3176-176.7-105.2000111.8T172 M173 I174 S179 N180T172-H176 WeakPolarHBondContact O-CB 3.4Å; T172-H176 PolarHBondContact O-N 2.94Å; M173-H176 PolarHBondContact O-N 3.26Å; I174-H176 VanDerWaalsContact C-N 3.31Å; I174-H176 PolarHBondContact O-N 2.91Å; H176-S179 WeakPolarHBondContact O-CB 3.45Å; H176-S179 PolarHBondContact O-N 3.21Å; H176-N180 PolarHBondContact CE1-ND2 2.85Å; H176-N180 PolarHBondContact ND1-ND2 3.38Å; H176-N180 PolarHBondContact O-N 3.34Å; H176-N180 PolarHBondContact O-ND2 3.19Å
177A87.2Confident85.5Confident13 Ų1357.5 Ų57.511%0.10729%0.294CS..Hα-helixtrans-63-44.5175.600000112.7L71 I79 M173 I174 N175 N180 I181L71-A177 HydrophobicContact CD1-CB 3.92Å; I79-A177 HydrophobicContact CD1-CB 3.56Å; M173-A177 PolarHBondContact O-N 3.11Å; I174-A177 WeakPolarHBondContact O-CB 3.34Å; I174-A177 PolarHBondContact O-N 3.28Å; N175-A177 VanDerWaalsContact C-N 3.35Å; A177-N180 PolarHBondContact O-N 3.33Å; A177-I181 PolarHBondContact O-N 3.18Å; A177-I181 VanDerWaalsContact O-N 3.12Å
178F84.1Confident85Confident22 Ų2256.6 Ų56.610%0.09629%0.288CS..Hα-helixtrans-60.5-45.2173-82.2-68.1000111.6L71 F95 F98 I174 N175 N180 I181 R182L71-F178 HydrophobicContact CB-CE1 4.49Å; L71-F178 HydrophobicContact CB-CZ 4.44Å; L71-F178 HydrophobicContact CD1-CD1 4.04Å; L71-F178 HydrophobicContact CD1-CD2 4.07Å; L71-F178 HydrophobicContact CD1-CE1 3.94Å; L71-F178 HydrophobicContact CD1-CE2 3.97Å; L71-F178 HydrophobicContact CD1-CG 4.09Å; L71-F178 HydrophobicContact CD1-CZ 3.9Å; L71-F178 HydrophobicContact CG-CE1 4.3Å; F95-F178 HydrophobicContact CD2-CZ 4.39Å; F95-F178 HydrophobicContact CE2-CE2 4.04Å; F95-F178 AromaticContact CE2-CZ 3.67Å; F95-F178 HydrophobicContact CE2-CZ 3.67Å; F95-F178 HydrophobicContact CZ-CE2 4.17Å; F95-F178 AromaticContact CZ-CZ 3.87Å; F95-F178 HydrophobicContact CZ-CZ 3.87Å; F98-F178 HydrophobicContact CD1-CD2 4.32Å; F98-F178 AromaticContact CD1-CE2 3.8Å; F98-F178 HydrophobicContact CD1-CE2 3.8Å; F98-F178 HydrophobicContact CE1-CD2 4.2Å; F98-F178 HydrophobicContact CE1-CE2 4.15Å; I174-F178 HydrophobicContact CG2-CD2 3.72Å; I174-F178 HydrophobicContact CG2-CE2 3.54Å; I174-F178 VanDerWaalsContact O-CD2 3.29Å; I174-F178 WeakPolarHBondContact O-CD2 3.36Å; I174-F178 PolarHBondContact O-N 3.12Å; N175-F178 PolarHBondContact O-N 3.19Å; F178-N180 VanDerWaalsContact C-N 3.32Å; F178-N180 PolarHBondContact O-N 2.94Å; F178-I181 PolarHBondContact O-N 2.86Å; F178-R182 PolarHBondContact O-N 2.92Å
179S81.7Confident84.8Confident17 Ų1750.7 Ų50.712%0.11926%0.264CS..Hα-helixtrans-57.1-44.3176.6-169.60000112.2N175 H176 I181 R182 I183N175-S179 PolarHBondContact O-N 3.36Å; H176-S179 WeakPolarHBondContact O-CB 3.45Å; H176-S179 PolarHBondContact O-N 3.21Å; S179-I181 VanDerWaalsContact C-N 3.33Å; S179-I181 PolarHBondContact O-N 3.29Å; S179-R182 WeakPolarHBondContact O-CB 3.06Å; S179-R182 PolarHBondContact O-N 3Å; S179-I183 VanDerWaalsContact O-CG1 3.28Å; S179-I183 WeakPolarHBondContact O-CG1 3.35Å; S179-I183 PolarHBondContact O-N 3.46Å
180N81.3Confident84.7Confident66 Ų6648.8 Ų48.835%0.35325%0.253SS..Hα-helixtrans-63.8-37178.2-75.6-27.2000113.2H176 A177 F178 K184H176-N180 PolarHBondContact CE1-ND2 2.85Å; H176-N180 PolarHBondContact ND1-ND2 3.38Å; H176-N180 PolarHBondContact O-N 3.34Å; H176-N180 PolarHBondContact O-ND2 3.19Å; A177-N180 PolarHBondContact O-N 3.33Å; F178-N180 VanDerWaalsContact C-N 3.32Å; F178-N180 PolarHBondContact O-N 2.94Å; N180-K184 WeakPolarHBondContact O-CG 3.38Å; N180-K184 PolarHBondContact O-N 3.45Å
181I80.9Confident84.6Confident38 Ų3853.8 Ų53.820%0.19528%0.276CS..Hα-helixtrans-67.8-47.2175-69.5169.4000109.7E69 L71 A177 F178 S179 I183 K184 T185E69-I181 HydrophobicContact CB-CG2 3.94Å; E69-I181 HydrophobicContact CG-CG2 4.03Å; L71-I181 HydrophobicContact CD1-CD1 4.08Å; L71-I181 HydrophobicContact CD2-CD1 3.24Å; L71-I181 HydrophobicContact CG-CD1 3.43Å; L71-I181 VanDerWaalsContact CG-CD1 3.43Å; A177-I181 PolarHBondContact O-N 3.18Å; A177-I181 VanDerWaalsContact O-N 3.12Å; F178-I181 PolarHBondContact O-N 2.86Å; S179-I181 VanDerWaalsContact C-N 3.33Å; S179-I181 PolarHBondContact O-N 3.29Å; I181-I183 VanDerWaalsContact C-N 3.32Å; I181-I183 PolarHBondContact O-N 3.21Å; I181-K184 WeakPolarHBondContact O-CB 3.28Å; I181-K184 PolarHBondContact O-N 2.91Å; I181-T185 HydrophobicContact CG2-CG2 4.17Å; I181-T185 PolarHBondContact O-N 2.72Å; I181-T185 PolarHBondContact O-OG1 3.49Å; I181-T185 VanDerWaalsContact O-OG1 3.04Å
182R77.3Confident84.4Confident63 Ų6359.5 Ų59.524%0.23830%0.302CS..Hα-helixtrans-52-50.8175.9-171.3160.174.4-128.32.6112.2E69 F178 S179 K184 T185 D186 N312 L313 Y314E69-R182 VanDerWaalsContact CD-CB 3.46Å; E69-R182 WeakPolarHBondContact OE1-CA 3.25Å; E69-R182 VanDerWaalsContact OE1-CB 3.23Å; E69-R182 WeakPolarHBondContact OE1-CB 3.21Å; E69-R182 WeakPolarHBondContact OE1-CD 3.44Å; E69-R182 WeakPolarHBondContact OE1-CG 3.39Å; E69-R182 WeakPolarHBondContact OE2-CB 3.35Å; F178-R182 PolarHBondContact O-N 2.92Å; S179-R182 WeakPolarHBondContact O-CB 3.06Å; S179-R182 PolarHBondContact O-N 3Å; R182-K184 VanDerWaalsContact C-N 3.3Å; R182-K184 PolarHBondContact O-N 3.02Å; R182-T185 WeakPolarHBondContact CA-OG1 3.29Å; R182-T185 PolarHBondContact O-N 3.35Å; R182-T185 VanDerWaalsContact O-N 3.16Å; R182-T185 PolarHBondContact O-OG1 3.27Å; R182-T185 VanDerWaalsContact O-OG1 3.08Å; R182-D186 WeakPolarHBondContact CG-OD2 3.23Å; R182-D186 VanDerWaalsContact O-CB 3.29Å; R182-D186 WeakPolarHBondContact O-CB 3.44Å; R182-D186 VanDerWaalsContact O-CG 3.32Å; R182-D186 PolarHBondContact O-N 3.08Å; R182-N312 PolarHBondContact NH2-O 3.07Å; R182-L313 HydrophobicContact CG-CD2 3.97Å; R182-Y314 VanDerWaalsContact NH2-CD2 3.34Å
183I76.7Confident84.4Confident35 Ų3557.2 Ų57.218%0.17929%0.288CS..Hα-helixtrans-55.6-46.9177.7-66.4161.4000110.5S179 I181 T185 L187 L313 T315S179-I183 VanDerWaalsContact O-CG1 3.28Å; S179-I183 WeakPolarHBondContact O-CG1 3.35Å; S179-I183 PolarHBondContact O-N 3.46Å; I181-I183 VanDerWaalsContact C-N 3.32Å; I181-I183 PolarHBondContact O-N 3.21Å; I183-T185 PolarHBondContact O-N 2.9Å; I183-L187 WeakPolarHBondContact O-CG 3.21Å; I183-L187 PolarHBondContact O-N 3.43Å; I183-L313 HydrophobicContact CB-CD2 4.26Å; I183-L313 HydrophobicContact CG1-CB 4.22Å; I183-L313 HydrophobicContact CG1-CD2 3.75Å; I183-L313 HydrophobicContact CG1-CG 4.42Å; I183-T315 HydrophobicContact CD1-CG2 4.13Å; I183-T315 HydrophobicContact CG1-CG2 4.3Å; I183-T315 HydrophobicContact CG2-CG2 4.38Å
184K74.1Confident84.5Confident155 Ų15556.9 Ų56.967%0.67428%0.284SS*.Hα-helixtrans-65.6-37.5179.8-73.6176.3-178.7179.50112.9N180 I181 R182N180-K184 WeakPolarHBondContact O-CG 3.38Å; N180-K184 PolarHBondContact O-N 3.45Å; I181-K184 WeakPolarHBondContact O-CB 3.28Å; I181-K184 PolarHBondContact O-N 2.91Å; R182-K184 VanDerWaalsContact C-N 3.3Å; R182-K184 PolarHBondContact O-N 3.02Å
185T71.3Confident84.7Confident65 Ų6559.7 Ų59.740%0.39930%0.297SS..Hα-helixtrans-82.7-27.5-176.951.90000113.6I181 R182 I183 L187I181-T185 HydrophobicContact CG2-CG2 4.17Å; I181-T185 PolarHBondContact O-N 2.72Å; I181-T185 PolarHBondContact O-OG1 3.49Å; I181-T185 VanDerWaalsContact O-OG1 3.04Å; R182-T185 WeakPolarHBondContact CA-OG1 3.29Å; R182-T185 PolarHBondContact O-N 3.35Å; R182-T185 VanDerWaalsContact O-N 3.16Å; R182-T185 PolarHBondContact O-OG1 3.27Å; R182-T185 VanDerWaalsContact O-OG1 3.08Å; I183-T185 PolarHBondContact O-N 2.9Å; T185-L187 VanDerWaalsContact C-N 3.26Å
186D73.3Confident85.1Confident81 Ų8157.6 Ų57.643%0.43329%0.288SS..Hα-helixtrans-74.9-18176.4-77.1-5.3000112.1R182 T188 L313R182-D186 WeakPolarHBondContact CG-OD2 3.23Å; R182-D186 VanDerWaalsContact O-CB 3.29Å; R182-D186 WeakPolarHBondContact O-CB 3.44Å; R182-D186 VanDerWaalsContact O-CG 3.32Å; R182-D186 PolarHBondContact O-N 3.08Å; D186-T188 PolarHBondContact O-N 2.74Å; D186-L313 HydrophobicContact CB-CD1 4.2Å; D186-L313 HydrophobicContact CB-CD2 4.02Å; D186-L313 WeakPolarHBondContact OD2-CD2 3.35Å
187L77.7Confident85.6Confident80 Ų8054.4 Ų54.442%0.41927%0.272SS..SBendtrans-65.8117.4171.9-72.1171000110.5I183 T185 T189I183-L187 WeakPolarHBondContact O-CG 3.21Å; I183-L187 PolarHBondContact O-N 3.43Å; T185-L187 VanDerWaalsContact C-N 3.26Å; L187-T189 PolarHBondContact O-N 2.72Å
188T84.8Confident85.9Confident29 Ų2960 Ų6018%0.17830%0.296CS..  trans-61.4125.9168.2-46.80000109.6D186 V193 L268D186-T188 PolarHBondContact O-N 2.74Å; T188-V193 HydrophobicContact CG2-CG2 4.18Å; T188-L268 HydrophobicContact CG2-CB 4.2Å; T188-L268 HydrophobicContact CG2-CD2 3.79Å; T188-L268 WeakPolarHBondContact O-CB 3.3Å; T188-L268 PolarHBondContact O-N 3.3Å
189T91.6Very high86.4Confident30 Ų3064.4 Ų64.418%0.18432%0.321CS..BIsolated β-bridgetrans-106.1163.6-179.564.50000111.6L187 E191 Q192 P264 A266L187-T189 PolarHBondContact O-N 2.72Å; T189-E191 PolarHBondContact O-N 3.36Å; T189-Q192 PolarHBondContact O-N 3.08Å; T189-P264 WeakPolarHBondContact CB-O 3.43Å; T189-A266 CarbonylContact C-O 3.46Å; T189-A266 VanDerWaalsContact CA-O 3.31Å; T189-A266 WeakPolarHBondContact CA-O 3.29Å
190V94.6Very high87.1Confident0 Ų064 Ų640%032%0.316CS..G310 helixtrans-56.3-40.7174173.30000111.3Q192 V193 Y194 A262 P264 A266 I271 V285 I296V190-Q192 PolarHBondContact O-N 2.93Å; V190-V193 PolarHBondContact O-N 3.43Å; V190-Y194 HydrophobicContact CG1-CD1 4.35Å; V190-Y194 HydrophobicContact CG1-CG 4.49Å; V190-Y194 WeakPolarHBondContact O-CD1 3.47Å; V190-Y194 PolarHBondContact O-N 2.88Å; V190-A262 HydrophobicContact CG1-CB 4.41Å; V190-A262 HydrophobicContact CG2-CB 4.35Å; V190-P264 PolarHBondContact N-O 3.04Å; V190-A266 HydrophobicContact CG2-CB 4.14Å; V190-A266 PolarHBondContact N-O 3.34Å; V190-I271 HydrophobicContact CG2-CB 4.25Å; V190-I271 HydrophobicContact CG2-CG1 3.56Å; V190-I271 HydrophobicContact CG2-CG2 4.46Å; V190-V285 HydrophobicContact CG1-CB 4.48Å; V190-V285 HydrophobicContact CG1-CG1 3.94Å; V190-V285 HydrophobicContact CG1-CG2 3.64Å; V190-I296 HydrophobicContact CG1-CD1 4.24Å; V190-I296 HydrophobicContact CG1-CG2 4.43Å; V190-I296 HydrophobicContact CG2-CD1 4.31Å
191E93.8Very high87.8Confident104 Ų10461.1 Ų61.149%0.48630%0.303SS..G310 helixtrans-48.9-34.9179.9-173.378.1-119.300112.8T189 V193 Y194 P264T189-E191 PolarHBondContact O-N 3.36Å; E191-V193 VanDerWaalsContact C-N 3.32Å; E191-V193 PolarHBondContact O-N 2.83Å; E191-Y194 WeakPolarHBondContact OE1-CE1 3.48Å; E191-Y194 PolarHBondContact OE1-OH 3.14Å; E191-P264 HydrophobicContact CB-CB 3.91Å; E191-P264 WeakPolarHBondContact CB-O 3.33Å; E191-P264 HydrophobicContact CG-CB 4.39Å; E191-P264 PolarHBondContact N-O 3.35Å; E191-P264 WeakPolarHBondContact OE2-CB 3.13Å
192Q89.9Confident88.6Confident128 Ų12862.2 Ų62.260%0.59831%0.307SS*.G310 helixtrans-80.3-12.5-175.8-64.3169.6-14.700113.5T189 V190T189-Q192 PolarHBondContact O-N 3.08Å; V190-Q192 PolarHBondContact O-N 2.93Å
193V92.4Very high89.5Confident17 Ų1759.6 Ų59.610%0.10330%0.297CS..THydrogen-bonded Turntrans-128.4-28.6-165.1179.80000113.8T188 V190 E191 L268 I296 Q300 N304T188-V193 HydrophobicContact CG2-CG2 4.18Å; V190-V193 PolarHBondContact O-N 3.43Å; E191-V193 VanDerWaalsContact C-N 3.32Å; E191-V193 PolarHBondContact O-N 2.83Å; V193-L268 HydrophobicContact CB-CD1 4.14Å; V193-L268 HydrophobicContact CG1-CD1 4.28Å; V193-L268 HydrophobicContact CG2-CD1 4.15Å; V193-L268 HydrophobicContact CG2-CD2 4.03Å; V193-I296 HydrophobicContact CG1-CD1 4.45Å; V193-Q300 HydrophobicContact CG1-CB 3.93Å; V193-Q300 PolarHBondContact O-NE2 2.77Å; V193-Q300 VanDerWaalsContact O-NE2 3.16Å; V193-N304 HydrophobicContact CG1-CB 3.94Å; V193-N304 HydrophobicContact CG2-CB 3.75Å
194Y95.9Very high90.5Very high47 Ų4762.1 Ų62.118%0.18431%0.308CS..PPolyproline II helixtrans-64.8152.9-175.181.9-83.7000112.7V190 E191 V285 L293V190-Y194 HydrophobicContact CG1-CD1 4.35Å; V190-Y194 HydrophobicContact CG1-CG 4.49Å; V190-Y194 WeakPolarHBondContact O-CD1 3.47Å; V190-Y194 PolarHBondContact O-N 2.88Å; E191-Y194 WeakPolarHBondContact OE1-CE1 3.48Å; E191-Y194 PolarHBondContact OE1-OH 3.14Å; Y194-V285 HydrophobicContact CD1-CG1 4.4Å; Y194-V285 HydrophobicContact CD2-CB 4.2Å; Y194-V285 HydrophobicContact CD2-CG1 4.37Å; Y194-V285 HydrophobicContact CD2-CG2 4.25Å; Y194-V285 HydrophobicContact CG-CB 4.32Å; Y194-V285 HydrophobicContact CG-CG1 4.26Å; Y194-V285 HydrophobicContact CG-CG2 4.04Å; Y194-L293 HydrophobicContact CE2-CB 4.32Å
195Q96Very high91.5Very high60 Ų6057.2 Ų57.228%0.2829%0.288SS..EExtended strand (participates in β ladder)trans-88.7135.6171.7-76.9167.690.500109.5G294 V295 Q300Q195-G294 CarbonylContact O-C 3.54Å; Q195-G294 WeakPolarHBondContact O-CA 3.36Å; Q195-V295 PolarHBondContact N-O 2.67Å; Q195-V295 PolarHBondContact O-N 2.61Å; Q195-Q300 VanDerWaalsContact NE2-CD 3.27Å
196T97Very high92.6Very high49 Ų4956.9 Ų56.930%0.30130%0.297SS..EExtended strand (participates in β ladder)trans-57.4154.9175.371.90000110.7E198 D199 Y200T196-E198 PolarHBondContact O-N 3.46Å; T196-D199 PolarHBondContact O-N 3.48Å; T196-D199 WeakPolarHBondContact OG1-CB 3.39Å; T196-D199 PolarHBondContact OG1-N 2.83Å; T196-D199 PolarHBondContact OG1-OD2 3.16Å; T196-Y200 PolarHBondContact O-N 2.89Å
197K96Very high93.7Very high43 Ų4353.1 Ų53.119%0.18728%0.278CS..Hα-helixtrans-62.6-28.7179.567.6-176.5179.2-169.60112.1G201 F202 N231 L292 L293K197-G201 VanDerWaalsContact O-CA 3.31Å; K197-G201 WeakPolarHBondContact O-CA 3.28Å; K197-G201 PolarHBondContact O-N 3.05Å; K197-F202 HydrophobicContact CB-CD1 4.02Å; K197-F202 HydrophobicContact CB-CE1 4.37Å; K197-F202 HydrophobicContact CD-CE1 4.22Å; K197-F202 HydrophobicContact CG-CD1 4.34Å; K197-F202 HydrophobicContact CG-CE1 4.18Å; K197-N231 PolarHBondContact NZ-ND2 3.46Å; K197-L292 HydrophobicContact CB-CD2 3.82Å; K197-L292 HydrophobicContact CB-CG 4Å; K197-L292 HydrophobicContact CD-CD2 4.38Å; K197-L292 HydrophobicContact CD-CG 4.35Å; K197-L292 WeakPolarHBondContact CD-O 3.47Å; K197-L293 PolarHBondContact N-O 3.06Å
198E93.8Very high94.7Very high131 Ų13151.1 Ų51.161%0.61227%0.268SS*.Hα-helixtrans-68.6-42.7175.6-67.372.6-157.900111.5T196T196-E198 PolarHBondContact O-N 3.46Å
199D93.9Very high95.3Very high115 Ų11549.8 Ų49.862%0.61526%0.26SS*.Hα-helixtrans-74.1-37.2-179.6-62.6-38000112.3T196T196-D199 PolarHBondContact O-N 3.48Å; T196-D199 WeakPolarHBondContact OG1-CB 3.39Å; T196-D199 PolarHBondContact OG1-N 2.83Å; T196-D199 PolarHBondContact OG1-OD2 3.16Å
200Y96.1Very high95.6Very high7 Ų756.5 Ų56.53%0.02728%0.282CS..Hα-helixtrans-87.7-40.5-176.6-172.7-85.3000113.4T196 N221 R223 F224 V295 T297T196-Y200 PolarHBondContact O-N 2.89Å; Y200-N221 WeakPolarHBondContact CD2-ND2 3.47Å; Y200-N221 HydrophobicContact CE1-CB 4.28Å; Y200-N221 HydrophobicContact CE2-CB 4.29Å; Y200-N221 WeakPolarHBondContact CE2-ND2 3.46Å; Y200-N221 PolarHBondContact O-ND2 2.88Å; Y200-R223 WeakPolarHBondContact CE1-O 3.45Å; Y200-R223 PolarHBondContact OH-O 3.34Å; Y200-F224 HydrophobicContact CE1-CD1 4.19Å; Y200-V295 HydrophobicContact CD1-CB 3.66Å; Y200-V295 HydrophobicContact CD1-CG1 3.88Å; Y200-V295 HydrophobicContact CD1-CG2 3.47Å; Y200-V295 VanDerWaalsContact CD1-CG2 3.47Å; Y200-V295 HydrophobicContact CD2-CB 3.94Å; Y200-V295 HydrophobicContact CD2-CG1 3.85Å; Y200-V295 HydrophobicContact CE1-CB 4.05Å; Y200-V295 HydrophobicContact CE1-CG1 3.74Å; Y200-V295 HydrophobicContact CE1-CG2 3.87Å; Y200-V295 HydrophobicContact CE2-CB 4.28Å; Y200-V295 HydrophobicContact CE2-CG1 3.69Å; Y200-V295 HydrophobicContact CG-CB 3.61Å; Y200-V295 HydrophobicContact CG-CG1 3.95Å; Y200-V295 HydrophobicContact CG-CG2 3.93Å; Y200-T297 HydrophobicContact CE2-CG2 3.79Å
201G95.8Very high95.7Very high7 Ų761.2 Ų61.27%0.07230%0.304CS..  trans98.3156.3-176.300000115.4K197 M215K197-G201 VanDerWaalsContact O-CA 3.31Å; K197-G201 WeakPolarHBondContact O-CA 3.28Å; K197-G201 PolarHBondContact O-N 3.05Å; G201-M215 VanDerWaalsContact CA-CE 3.43Å
202F97.5Very high95.9Very high61 Ų6156.2 Ų56.227%0.26828%0.281SS..  trans-153.8166.5178.462.9-84.6000111K197 P225 V227 L292K197-F202 HydrophobicContact CB-CD1 4.02Å; K197-F202 HydrophobicContact CB-CE1 4.37Å; K197-F202 HydrophobicContact CD-CE1 4.22Å; K197-F202 HydrophobicContact CG-CD1 4.34Å; K197-F202 HydrophobicContact CG-CE1 4.18Å; F202-P225 HydrophobicContact CB-CG 3.82Å; F202-V227 HydrophobicContact CD2-CG1 4.44Å; F202-V227 HydrophobicContact CD2-CG2 3.61Å; F202-V227 HydrophobicContact CE2-CG2 3.85Å; F202-L292 HydrophobicContact CB-CD2 3.59Å; F202-L292 HydrophobicContact CD1-CD2 4.21Å; F202-L292 HydrophobicContact CD2-CD2 4.48Å; F202-L292 HydrophobicContact CG-CD2 3.87Å
203L97.7Very high96.2Very high8 Ų852.7 Ų52.74%0.04227%0.266CS..EExtended strand (participates in β ladder)trans-118.7148.9177.6-70169.1000111.3A207 E211 F212 M215 F224 P225 V226 V227 V237 I251L203-A207 HydrophobicContact CB-CB 4.23Å; L203-A207 HydrophobicContact CD2-CB 4.09Å; L203-E211 HydrophobicContact CD2-CB 4.26Å; L203-F212 HydrophobicContact CD1-CB 3.84Å; L203-F212 HydrophobicContact CD1-CD2 3.74Å; L203-F212 HydrophobicContact CD1-CG 4.29Å; L203-M215 HydrophobicContact CD2-CG 3.63Å; L203-M215 HydrophobicContact CG-CG 4.32Å; L203-F224 HydrophobicContact CD1-CB 4.26Å; L203-F224 HydrophobicContact CG-CB 4.37Å; L203-P225 PolarHBondContact N-O 2.74Å; L203-V226 CarbonylContact O-C 3.56Å; L203-V226 VanDerWaalsContact O-CA 3.29Å; L203-V226 WeakPolarHBondContact O-CA 3.48Å; L203-V227 PolarHBondContact O-N 3.27Å; L203-V237 HydrophobicContact CD1-CG1 3.76Å; L203-I251 HydrophobicContact CD1-CD1 4.41Å; L203-I251 HydrophobicContact CD1-CG1 4.39Å
204Q97.6Very high96.3Very high88 Ų8853 Ų5341%0.41127%0.273SS..EExtended strand (participates in β ladder)trans-78.4152168.2-66.5-64.4-35.100110.1G206 A207 V227 N228Q204-G206 PolarHBondContact O-N 2.98Å; Q204-G206 VanDerWaalsContact O-N 3.12Å; Q204-A207 WeakPolarHBondContact O-CB 3.44Å; Q204-A207 PolarHBondContact O-N 3.44Å; Q204-V227 CarbonylContact C-O 3.48Å; Q204-V227 WeakPolarHBondContact CA-O 3.37Å; Q204-N228 PolarHBondContact OE1-O 3.19Å
205E95.2Very high96.3Very high51 Ų5152.1 Ų52.124%0.23827%0.271CS..THydrogen-bonded Turntrans-63.9-16.5-179.770.1173.5152.700114.2V226 V227 N228 V234 K252E205-V226 HydrophobicContact CB-CG1 4.09Å; E205-V227 PolarHBondContact N-O 2.97Å; E205-N228 HydrophobicContact CG-CB 4.48Å; E205-N228 WeakPolarHBondContact OE1-CB 3.36Å; E205-V234 HydrophobicContact CB-CG2 3.98Å; E205-K252 HydrophobicContact CB-CD 4.41Å; E205-K252 WeakPolarHBondContact O-CB 3.36Å; E205-K252 WeakPolarHBondContact OE2-CE 3.26Å; E205-K252 IonicContact OE2-NZ 3.78Å; E205-K252 PolarHBondContact OE2-NZ 2.85Å
206G94Very high96.3Very high58 Ų5850.8 Ų50.860%0.59827%0.265SS*.THydrogen-bonded Turntrans-94.15.3172.800000114.2Q204Q204-G206 PolarHBondContact O-N 2.98Å; Q204-G206 VanDerWaalsContact O-N 3.12Å
207A97Very high96.1Very high3 Ų357.2 Ų57.23%0.02529%0.289CS..  trans-69.7155.1-178.400000111.6L203 Q204 E211 I251L203-A207 HydrophobicContact CB-CB 4.23Å; L203-A207 HydrophobicContact CD2-CB 4.09Å; Q204-A207 WeakPolarHBondContact O-CB 3.44Å; Q204-A207 PolarHBondContact O-N 3.44Å; A207-E211 VanDerWaalsContact CA-OE2 3.28Å; A207-E211 WeakPolarHBondContact CA-OE2 3.05Å; A207-E211 HydrophobicContact CB-CB 4.24Å; A207-I251 HydrophobicContact CB-CG1 4.26Å; A207-I251 VanDerWaalsContact O-CB 3.32Å; A207-I251 WeakPolarHBondContact O-CB 3.48Å; A207-I251 WeakPolarHBondContact O-CG1 3.09Å; A207-I251 PolarHBondContact O-N 3.25Å
208T97.9Very high96Very high37 Ų3762.6 Ų62.623%0.22732%0.315CS..BIsolated β-bridgetrans-101.9165.317858.50000111.9R210 E211 F212 I249T208-R210 PolarHBondContact O-N 2.93Å; T208-R210 VanDerWaalsContact O-N 3.17Å; T208-E211 PolarHBondContact N-OE2 3.39Å; T208-E211 PolarHBondContact O-N 3.35Å; T208-E211 PolarHBondContact OG1-OE2 3.07Å; T208-F212 PolarHBondContact O-N 2.84Å; T208-F212 VanDerWaalsContact O-N 3.09Å; T208-I249 CarbonylContact C-O 3.58Å; T208-I249 VanDerWaalsContact CA-O 3.32Å; T208-I249 WeakPolarHBondContact CA-O 3.43Å
209I97.4Very high96Very high2 Ų258.3 Ų58.31%0.0130%0.298CS..Hα-helixtrans-56.3-30.1171-65.6-176.5000111.7E211 F212 N213 V242 K245 N247 I249 I251 I254I209-E211 PolarHBondContact O-N 2.97Å; I209-F212 WeakPolarHBondContact O-CB 3.41Å; I209-F212 PolarHBondContact O-N 2.87Å; I209-N213 WeakPolarHBondContact O-CB 3.42Å; I209-N213 PolarHBondContact O-N 3.19Å; I209-N213 PolarHBondContact O-ND2 2.92Å; I209-V242 HydrophobicContact CD1-CB 4.13Å; I209-V242 HydrophobicContact CD1-CG1 4.13Å; I209-V242 HydrophobicContact CG1-CB 4.41Å; I209-V242 HydrophobicContact CG1-CG1 3.98Å; I209-V242 HydrophobicContact CG2-CB 4.07Å; I209-V242 HydrophobicContact CG2-CG1 4.22Å; I209-K245 HydrophobicContact CD1-CB 3.43Å; I209-K245 VanDerWaalsContact CD1-CB 3.43Å; I209-K245 HydrophobicContact CD1-CD 4.23Å; I209-K245 HydrophobicContact CD1-CG 4.47Å; I209-N247 PolarHBondContact N-O 3.31Å; I209-I249 HydrophobicContact CD1-CB 3.9Å; I209-I249 HydrophobicContact CD1-CG2 4.24Å; I209-I249 HydrophobicContact CG1-CB 4.32Å; I209-I249 PolarHBondContact N-O 2.87Å; I209-I251 HydrophobicContact CG1-CD1 4.19Å; I209-I254 HydrophobicContact CD1-CD1 3.83Å; I209-I254 HydrophobicContact CG1-CD1 3.94Å
210R97.4Very high95.9Very high171 Ų17156.9 Ų56.965%0.64530%0.302SS*.Hα-helixtrans-58.5-45.9172.6-174.6-178.7-65.1-178.80.5112.2T208 N213 G214 N247T208-R210 PolarHBondContact O-N 2.93Å; T208-R210 VanDerWaalsContact O-N 3.17Å; R210-N213 PolarHBondContact O-N 3.16Å; R210-G214 PolarHBondContact O-N 2.99Å; R210-N247 HydrophobicContact CB-CB 4.26Å; R210-N247 PolarHBondContact N-O 2.82Å
211E97Very high95.8Very high98 Ų9858.2 Ų58.246%0.45831%0.31SS..Hα-helixtrans-69.4-39.7178.8-72.4160.6104.900111.2L203 A207 T208 I209 N213 G214 M215L203-E211 HydrophobicContact CD2-CB 4.26Å; A207-E211 VanDerWaalsContact CA-OE2 3.28Å; A207-E211 WeakPolarHBondContact CA-OE2 3.05Å; A207-E211 HydrophobicContact CB-CB 4.24Å; T208-E211 PolarHBondContact N-OE2 3.39Å; T208-E211 PolarHBondContact O-N 3.35Å; T208-E211 PolarHBondContact OG1-OE2 3.07Å; I209-E211 PolarHBondContact O-N 2.97Å; E211-N213 VanDerWaalsContact C-N 3.34Å; E211-N213 PolarHBondContact O-N 3.41Å; E211-G214 CarbonylContact O-C 3.58Å; E211-G214 WeakPolarHBondContact O-CA 3.42Å; E211-G214 PolarHBondContact O-N 2.97Å; E211-M215 PolarHBondContact O-N 2.71Å
212F97.5Very high95.8Very high0 Ų060.5 Ų60.50%032%0.322CS..Hα-helixtrans-56-46.9170.9173.1-88.8000112.2L203 T208 I209 G214 M215 I216 F224 V237 M239 V242 I251L203-F212 HydrophobicContact CD1-CB 3.84Å; L203-F212 HydrophobicContact CD1-CD2 3.74Å; L203-F212 HydrophobicContact CD1-CG 4.29Å; T208-F212 PolarHBondContact O-N 2.84Å; T208-F212 VanDerWaalsContact O-N 3.09Å; I209-F212 WeakPolarHBondContact O-CB 3.41Å; I209-F212 PolarHBondContact O-N 2.87Å; F212-G214 VanDerWaalsContact C-N 3.26Å; F212-G214 PolarHBondContact O-N 2.63Å; F212-M215 WeakPolarHBondContact O-CB 3.4Å; F212-M215 PolarHBondContact O-N 3.07Å; F212-M215 VanDerWaalsContact O-N 3.15Å; F212-I216 HydrophobicContact CD1-CD1 3.8Å; F212-I216 HydrophobicContact CD1-CG1 4.45Å; F212-I216 HydrophobicContact CE1-CD1 3.17Å; F212-I216 HydrophobicContact CE1-CG1 4.03Å; F212-I216 HydrophobicContact CZ-CD1 3.7Å; F212-I216 HydrophobicContact CZ-CG1 4.25Å; F212-I216 PolarHBondContact O-N 2.87Å; F212-F224 AromaticContact CD2-CD2 3.84Å; F212-F224 HydrophobicContact CD2-CD2 3.84Å; F212-F224 HydrophobicContact CD2-CE2 4.4Å; F212-F224 AromaticContact CE2-CD2 3.65Å; F212-F224 HydrophobicContact CE2-CD2 3.65Å; F212-F224 HydrophobicContact CE2-CE2 4.14Å; F212-V237 HydrophobicContact CD2-CG1 3.64Å; F212-V237 HydrophobicContact CD2-CG2 4.14Å; F212-V237 HydrophobicContact CE2-CB 4.48Å; F212-V237 HydrophobicContact CE2-CG1 3.86Å; F212-V237 HydrophobicContact CE2-CG2 4.11Å; F212-M239 HydrophobicContact CZ-CB 4.48Å; F212-V242 HydrophobicContact CD1-CB 4.41Å; F212-V242 HydrophobicContact CD1-CG1 3.8Å; F212-V242 HydrophobicContact CD1-CG2 3.91Å; F212-V242 HydrophobicContact CE1-CB 4.31Å; F212-V242 HydrophobicContact CE1-CG1 3.89Å; F212-V242 HydrophobicContact CE1-CG2 3.44Å; F212-V242 VanDerWaalsContact CE1-CG2 3.44Å; F212-V242 HydrophobicContact CG-CG1 4.21Å; F212-V242 HydrophobicContact CZ-CG1 4.4Å; F212-V242 HydrophobicContact CZ-CG2 4.24Å; F212-I251 HydrophobicContact CB-CD1 3.71Å; F212-I251 HydrophobicContact CD2-CD1 4.42Å; F212-I251 HydrophobicContact CG-CD1 4.25Å
213N96.2Very high95.7Very high53 Ų5360.6 Ų60.628%0.28332%0.321SS..Hα-helixtrans-64.4-32175.7-74.5-31000112.3I209 R210 E211 K217 N247I209-N213 WeakPolarHBondContact O-CB 3.42Å; I209-N213 PolarHBondContact O-N 3.19Å; I209-N213 PolarHBondContact O-ND2 2.92Å; R210-N213 PolarHBondContact O-N 3.16Å; E211-N213 VanDerWaalsContact C-N 3.34Å; E211-N213 PolarHBondContact O-N 3.41Å; N213-K217 WeakPolarHBondContact O-CG 3.37Å; N213-K217 PolarHBondContact O-N 2.79Å; N213-N247 PolarHBondContact ND2-OD1 3.21Å
214G96.1Very high95.7Very high24 Ų2460.2 Ų60.225%0.24732%0.319CS..Hα-helixtrans-62.1-47.1170.100000112.2R210 E211 F212 I216 K217 Q218R210-G214 PolarHBondContact O-N 2.99Å; E211-G214 CarbonylContact O-C 3.58Å; E211-G214 WeakPolarHBondContact O-CA 3.42Å; E211-G214 PolarHBondContact O-N 2.97Å; F212-G214 VanDerWaalsContact C-N 3.26Å; F212-G214 PolarHBondContact O-N 2.63Å; G214-I216 PolarHBondContact O-N 2.75Å; G214-K217 PolarHBondContact O-N 3.11Å; G214-K217 VanDerWaalsContact O-N 3.15Å; G214-Q218 WeakPolarHBondContact O-CG 3.48Å; G214-Q218 PolarHBondContact O-N 3.43Å
215M95.2Very high95.7Very high29 Ų2956 Ų5614%0.14330%0.299CS..Hα-helixtrans-61.1-41.3177.7-71.6-60-65.200112.6G201 L203 E211 F212 K217 Q218 T219 F224G201-M215 VanDerWaalsContact CA-CE 3.43Å; L203-M215 HydrophobicContact CD2-CG 3.63Å; L203-M215 HydrophobicContact CG-CG 4.32Å; E211-M215 PolarHBondContact O-N 2.71Å; F212-M215 WeakPolarHBondContact O-CB 3.4Å; F212-M215 PolarHBondContact O-N 3.07Å; F212-M215 VanDerWaalsContact O-N 3.15Å; M215-K217 VanDerWaalsContact C-N 3.31Å; M215-K217 PolarHBondContact O-N 3Å; M215-Q218 PolarHBondContact O-N 2.77Å; M215-T219 HydrophobicContact CE-CG2 4.06Å; M215-T219 PolarHBondContact O-N 3.22Å; M215-T219 PolarHBondContact O-OG1 3.19Å; M215-F224 HydrophobicContact CB-CD1 4.44Å; M215-F224 HydrophobicContact CB-CD2 4.27Å; M215-F224 HydrophobicContact CB-CE1 3.94Å; M215-F224 HydrophobicContact CB-CE2 3.78Å; M215-F224 HydrophobicContact CB-CZ 3.59Å; M215-F224 HydrophobicContact CE-CD1 4.17Å; M215-F224 HydrophobicContact CE-CE1 3.95Å
216I95.3Very high95.9Very high31 Ų3153.6 Ų53.616%0.15929%0.288CS..Hα-helixtrans-57.2-46.7174.1-65.7171.3000110.5F212 G214 Q218 A220 N221 F224 M239F212-I216 HydrophobicContact CD1-CD1 3.8Å; F212-I216 HydrophobicContact CD1-CG1 4.45Å; F212-I216 HydrophobicContact CE1-CD1 3.17Å; F212-I216 HydrophobicContact CE1-CG1 4.03Å; F212-I216 HydrophobicContact CZ-CD1 3.7Å; F212-I216 HydrophobicContact CZ-CG1 4.25Å; F212-I216 PolarHBondContact O-N 2.87Å; G214-I216 PolarHBondContact O-N 2.75Å; I216-Q218 VanDerWaalsContact C-N 3.31Å; I216-Q218 PolarHBondContact O-N 3.31Å; I216-A220 WeakPolarHBondContact O-CA 3.29Å; I216-A220 PolarHBondContact O-N 3.14Å; I216-N221 WeakPolarHBondContact CA-O 3.42Å; I216-N221 WeakPolarHBondContact CG1-O 3.34Å; I216-F224 HydrophobicContact CG1-CE2 3.98Å; I216-M239 HydrophobicContact CD1-CE 3.85Å
217K94.5Very high96.1Very high185 Ų18550.9 Ų50.980%0.80426%0.259SS*.Hα-helixtrans-65.3-35.1-178.9-70.7175.9-178.3-177.70112.6N213 G214 M215N213-K217 WeakPolarHBondContact O-CG 3.37Å; N213-K217 PolarHBondContact O-N 2.79Å; G214-K217 PolarHBondContact O-N 3.11Å; G214-K217 VanDerWaalsContact O-N 3.15Å; M215-K217 VanDerWaalsContact C-N 3.31Å; M215-K217 PolarHBondContact O-N 3Å
218Q93.4Very high96.1Very high156 Ų15652.3 Ų52.373%0.72927%0.266SS*.Hα-helixtrans-78.1-38-177.9-71.6174.7-0.900112.9G214 M215 I216G214-Q218 WeakPolarHBondContact O-CG 3.48Å; G214-Q218 PolarHBondContact O-N 3.43Å; M215-Q218 PolarHBondContact O-N 2.77Å; I216-Q218 VanDerWaalsContact C-N 3.31Å; I216-Q218 PolarHBondContact O-N 3.31Å
219T92.8Very high96Very high40 Ų4055.9 Ų55.925%0.24529%0.293CS..Hα-helixtrans-112.7-12.4-168.464.40000114M215 N221 F224M215-T219 HydrophobicContact CE-CG2 4.06Å; M215-T219 PolarHBondContact O-N 3.22Å; M215-T219 PolarHBondContact O-OG1 3.19Å; T219-N221 PolarHBondContact O-N 2.86Å; T219-N221 WeakPolarHBondContact OG1-CB 3.44Å; T219-N221 PolarHBondContact OG1-N 3.09Å; T219-F224 WeakPolarHBondContact OG1-CE1 3.37Å; T219-F224 WeakPolarHBondContact OG1-CZ 3.3Å
220A92.8Very high95.9Very high86 Ų8663.6 Ų63.671%0.71133%0.327SS*.  trans58.45.9-167.100000115.1I216I216-A220 WeakPolarHBondContact O-CA 3.29Å; I216-A220 PolarHBondContact O-N 3.14Å
221N94.3Very high95.9Very high35 Ų3556.8 Ų56.819%0.18730%0.303CS..  trans-80.7147.8174.3-66-41.6000110.4Y200 I216 T219 F224Y200-N221 WeakPolarHBondContact CD2-ND2 3.47Å; Y200-N221 HydrophobicContact CE1-CB 4.28Å; Y200-N221 HydrophobicContact CE2-CB 4.29Å; Y200-N221 WeakPolarHBondContact CE2-ND2 3.46Å; Y200-N221 PolarHBondContact O-ND2 2.88Å; I216-N221 WeakPolarHBondContact CA-O 3.42Å; I216-N221 WeakPolarHBondContact CG1-O 3.34Å; T219-N221 PolarHBondContact O-N 2.86Å; T219-N221 WeakPolarHBondContact OG1-CB 3.44Å; T219-N221 PolarHBondContact OG1-N 3.09Å; N221-F224 HydrophobicContact CB-CE1 3.7Å; N221-F224 HydrophobicContact CB-CZ 3.64Å; N221-F224 WeakPolarHBondContact O-CE2 3.27Å; N221-F224 WeakPolarHBondContact O-CZ 3.29Å
222V94.9Very high95.9Very high54 Ų5453.6 Ų53.633%0.32729%0.29SS..SBendtrans-117.59.9-176.1-610000113.5S238 M239V222-S238 CarbonylContact O-C 3.53Å; V222-S238 WeakPolarHBondContact O-CA 3.38Å; V222-M239 HydrophobicContact CB-CB 4.17Å; V222-M239 HydrophobicContact CB-CE 4.19Å; V222-M239 HydrophobicContact CG1-CE 3.63Å; V222-M239 PolarHBondContact O-N 3.33Å
223R96.1Very high96Very high64 Ų6453.8 Ų53.824%0.24229%0.291CS..EExtended strand (participates in β ladder)trans-147.1134.4177.6-60.5-170.5169.377.1-0.1108.8Y200 V237 N281 M282Y200-R223 WeakPolarHBondContact CE1-O 3.45Å; Y200-R223 PolarHBondContact OH-O 3.34Å; R223-V237 CarbonylContact C-O 3.53Å; R223-V237 VanDerWaalsContact CA-O 3.3Å; R223-V237 WeakPolarHBondContact CA-O 3.3Å; R223-N281 PolarHBondContact NH2-ND2 3.38Å; R223-M282 HydrophobicContact CB-CB 4.33Å; R223-M282 HydrophobicContact CB-CE 3.74Å
224F97.7Very high96Very high0 Ų052.8 Ų52.80%029%0.287CS..EExtended strand (participates in β ladder)trans-135.5140.6-178-60.4-80.6000111.4Y200 L203 F212 M215 I216 T219 N221 V237Y200-F224 HydrophobicContact CE1-CD1 4.19Å; L203-F224 HydrophobicContact CD1-CB 4.26Å; L203-F224 HydrophobicContact CG-CB 4.37Å; F212-F224 AromaticContact CD2-CD2 3.84Å; F212-F224 HydrophobicContact CD2-CD2 3.84Å; F212-F224 HydrophobicContact CD2-CE2 4.4Å; F212-F224 AromaticContact CE2-CD2 3.65Å; F212-F224 HydrophobicContact CE2-CD2 3.65Å; F212-F224 HydrophobicContact CE2-CE2 4.14Å; M215-F224 HydrophobicContact CB-CD1 4.44Å; M215-F224 HydrophobicContact CB-CD2 4.27Å; M215-F224 HydrophobicContact CB-CE1 3.94Å; M215-F224 HydrophobicContact CB-CE2 3.78Å; M215-F224 HydrophobicContact CB-CZ 3.59Å; M215-F224 HydrophobicContact CE-CD1 4.17Å; M215-F224 HydrophobicContact CE-CE1 3.95Å; I216-F224 HydrophobicContact CG1-CE2 3.98Å; T219-F224 WeakPolarHBondContact OG1-CE1 3.37Å; T219-F224 WeakPolarHBondContact OG1-CZ 3.3Å; N221-F224 HydrophobicContact CB-CE1 3.7Å; N221-F224 HydrophobicContact CB-CZ 3.64Å; N221-F224 WeakPolarHBondContact O-CE2 3.27Å; N221-F224 WeakPolarHBondContact O-CZ 3.29Å; F224-V237 HydrophobicContact CB-CG1 4.49Å; F224-V237 PolarHBondContact N-O 2.82Å; F224-V237 PolarHBondContact O-N 2.85Å
225P97.9Very high96.1Very high0 Ų051.7 Ų51.70%028%0.275CS..EExtended strand (participates in β ladder)trans-65.8147164.329.1-32.5000110.1F202 L203 P284 L292 V295F202-P225 HydrophobicContact CB-CG 3.82Å; L203-P225 PolarHBondContact N-O 2.74Å; P225-P284 HydrophobicContact CB-CB 4.21Å; P225-P284 HydrophobicContact CB-CG 4.09Å; P225-L292 HydrophobicContact CB-CD1 4.02Å; P225-L292 HydrophobicContact CB-CD2 4.15Å; P225-L292 HydrophobicContact CG-CD1 3.95Å; P225-L292 HydrophobicContact CG-CD2 3.67Å; P225-V295 HydrophobicContact CG-CG2 3.85Å
226V98.1Very high96.2Very high0 Ų051.7 Ų51.70%028%0.277CS..EExtended strand (participates in β ladder)trans-112.4127.7175.1-173.10000108.2L203 E205 V233 V234 G235 V237 I251 M255L203-V226 CarbonylContact O-C 3.56Å; L203-V226 VanDerWaalsContact O-CA 3.29Å; L203-V226 WeakPolarHBondContact O-CA 3.48Å; E205-V226 HydrophobicContact CB-CG1 4.09Å; V226-V233 WeakPolarHBondContact O-CA 3.43Å; V226-V234 HydrophobicContact CB-CG2 4.34Å; V226-V234 HydrophobicContact CG1-CG2 4.01Å; V226-V234 WeakPolarHBondContact O-CG2 3.44Å; V226-V234 PolarHBondContact O-N 3.31Å; V226-G235 PolarHBondContact N-O 3.46Å; V226-G235 PolarHBondContact O-N 3.5Å; V226-V237 HydrophobicContact CG2-CB 4.26Å; V226-V237 HydrophobicContact CG2-CG1 3.83Å; V226-I251 HydrophobicContact CG1-CG2 4.34Å; V226-I251 HydrophobicContact CG2-CG2 3.67Å; V226-M255 HydrophobicContact CB-SD 3.82Å; V226-M255 HydrophobicContact CG1-SD 3.76Å; V226-M255 HydrophobicContact CG2-CB 4.3Å; V226-M255 HydrophobicContact CG2-SD 4.04Å
227V98Very high96.2Very high0 Ų050.2 Ų50.20%027%0.269CS..EExtended strand (participates in β ladder)trans-119.4153.9-177.6-55.60000112.1F202 L203 Q204 E205 V232 V233 L292F202-V227 HydrophobicContact CD2-CG1 4.44Å; F202-V227 HydrophobicContact CD2-CG2 3.61Å; F202-V227 HydrophobicContact CE2-CG2 3.85Å; L203-V227 PolarHBondContact O-N 3.27Å; Q204-V227 CarbonylContact C-O 3.48Å; Q204-V227 WeakPolarHBondContact CA-O 3.37Å; E205-V227 PolarHBondContact N-O 2.97Å; V227-V232 CarbonylContact C-O 3.56Å; V227-V232 WeakPolarHBondContact CA-O 3.44Å; V227-V233 HydrophobicContact CG1-CG2 4.27Å; V227-L292 HydrophobicContact CG1-CB 3.84Å; V227-L292 HydrophobicContact CG1-CD2 3.78Å; V227-L292 HydrophobicContact CG1-CG 4.41Å
228N97.1Very high96.3Very high33 Ų3341.9 Ų41.918%0.17624%0.235CC..  trans-86.7-176.5169.36917.6000112Q204 E205 K230 N231 V232 V234Q204-N228 PolarHBondContact OE1-O 3.19Å; E205-N228 HydrophobicContact CG-CB 4.48Å; E205-N228 WeakPolarHBondContact OE1-CB 3.36Å; N228-K230 PolarHBondContact O-N 3.05Å; N228-K230 VanDerWaalsContact O-N 3.1Å; N228-K230 WeakPolarHBondContact OD1-CA 3.4Å; N228-K230 WeakPolarHBondContact OD1-CB 3.15Å; N228-K230 PolarHBondContact OD1-N 3.36Å; N228-N231 WeakPolarHBondContact O-CA 3.26Å; N228-N231 PolarHBondContact O-N 3.44Å; N228-N231 PolarHBondContact OD1-N 2.87Å; N228-V232 PolarHBondContact N-O 3.28Å; N228-V232 PolarHBondContact OD1-N 3.24Å; N228-V232 VanDerWaalsContact OD1-N 3.1Å; N228-V234 HydrophobicContact CB-CG1 3.97Å
229S95.6Very high96.3Very high113 Ų11338.5 Ų38.579%0.7922%0.22SC*.THydrogen-bonded Turntrans-60.7-18.8178.459.30000115.1N231S229-N231 VanDerWaalsContact C-N 3.33Å
230K96.7Very high96.3Very high164 Ų16442.9 Ų42.971%0.71324%0.241SC*.THydrogen-bonded Turntrans-92.59.4174.1-60.3-176.9178.5-179.20112.7N228 V232N228-K230 PolarHBondContact O-N 3.05Å; N228-K230 VanDerWaalsContact O-N 3.1Å; N228-K230 WeakPolarHBondContact OD1-CA 3.4Å; N228-K230 WeakPolarHBondContact OD1-CB 3.15Å; N228-K230 PolarHBondContact OD1-N 3.36Å; K230-V232 HydrophobicContact CB-CG2 4.23Å; K230-V232 PolarHBondContact O-N 3.43Å
231N96.8Very high96.4Very high28 Ų2841 Ų4115%0.1522%0.219CC..SBendtrans61.720.1-175.4-164.454.1000114.2K197 N228 S229 T291 L292K197-N231 PolarHBondContact NZ-ND2 3.46Å; N228-N231 WeakPolarHBondContact O-CA 3.26Å; N228-N231 PolarHBondContact O-N 3.44Å; N228-N231 PolarHBondContact OD1-N 2.87Å; S229-N231 VanDerWaalsContact C-N 3.33Å; N231-T291 HydrophobicContact CB-CG2 4.27Å; N231-T291 WeakPolarHBondContact ND2-CG2 3.12Å; N231-T291 WeakPolarHBondContact O-CA 3.48Å; N231-L292 PolarHBondContact ND2-O 3.37Å; N231-L292 PolarHBondContact O-N 3.3Å
232V97.9Very high96.3Very high31 Ų3139.9 Ų39.919%0.18821%0.214CC..BIsolated β-bridgetrans-83.8133.4175.2171.20000109.5V227 N228 K230 V234 L290V227-V232 CarbonylContact C-O 3.56Å; V227-V232 WeakPolarHBondContact CA-O 3.44Å; N228-V232 PolarHBondContact N-O 3.28Å; N228-V232 PolarHBondContact OD1-N 3.24Å; N228-V232 VanDerWaalsContact OD1-N 3.1Å; K230-V232 HydrophobicContact CB-CG2 4.23Å; K230-V232 PolarHBondContact O-N 3.43Å; V232-V234 PolarHBondContact O-N 3.34Å; V232-L290 WeakPolarHBondContact CA-O 3.16Å; V232-L290 HydrophobicContact CG1-CB 3.83Å
233V98.1Very high96.2Very high3 Ų342.3 Ų42.32%0.01823%0.228CC..EExtended strand (participates in β ladder)trans-68.2122.8178.4-176.50000110.5V226 V227 L259 P284 V286 L290 L292V226-V233 WeakPolarHBondContact O-CA 3.43Å; V227-V233 HydrophobicContact CG1-CG2 4.27Å; V233-L259 HydrophobicContact CG1-CD2 3.82Å; V233-L259 WeakPolarHBondContact O-CD1 3.49Å; V233-P284 HydrophobicContact CG1-CB 4.24Å; V233-P284 HydrophobicContact CG1-CG 4.15Å; V233-P284 HydrophobicContact CG2-CB 4.2Å; V233-V286 HydrophobicContact CB-CG1 4.3Å; V233-V286 HydrophobicContact CG2-CG1 3.58Å; V233-L290 PolarHBondContact N-O 3.06Å; V233-L292 HydrophobicContact CG2-CB 3.77Å; V233-L292 HydrophobicContact CG2-CD1 3.77Å; V233-L292 HydrophobicContact CG2-CG 4.32Å
234V97.3Very high96.1Very high33 Ų3343.4 Ų43.420%0.226%0.26CS..EExtended strand (participates in β ladder)trans-114.5-13.4-179.8-64.60000113.5E205 V226 N228 V232 M255E205-V234 HydrophobicContact CB-CG2 3.98Å; V226-V234 HydrophobicContact CB-CG2 4.34Å; V226-V234 HydrophobicContact CG1-CG2 4.01Å; V226-V234 WeakPolarHBondContact O-CG2 3.44Å; V226-V234 PolarHBondContact O-N 3.31Å; N228-V234 HydrophobicContact CB-CG1 3.97Å; V232-V234 PolarHBondContact O-N 3.34Å; V234-M255 HydrophobicContact CB-CE 4.26Å; V234-M255 HydrophobicContact CG2-CE 3.96Å; V234-M255 HydrophobicContact CG2-SD 4.3Å; V234-M255 WeakPolarHBondContact O-CE 2.88Å
235G97.1Very high95.9Very high0 Ų047.5 Ų47.50%028%0.278CS..EExtended strand (participates in β ladder)trans-174.7-177.7173.800000113.4V226 S256V226-G235 PolarHBondContact N-O 3.46Å; V226-G235 PolarHBondContact O-N 3.5Å; G235-S256 WeakPolarHBondContact CA-O 3.38Å
236V97.1Very high95.8Very high29 Ų2953.6 Ų53.618%0.17631%0.306CS..EExtended strand (participates in β ladder)trans-131.7137.1170.9174.20000108.3S256 M282 P284V236-S256 PolarHBondContact N-O 3.48Å; V236-S256 PolarHBondContact O-N 2.89Å; V236-M282 HydrophobicContact CG1-CE 3.56Å; V236-M282 HydrophobicContact CG2-CE 4.43Å; V236-P284 HydrophobicContact CG2-CG 3.64Å
237V96.8Very high95.7Very high0 Ų057.4 Ų57.40%033%0.326CS..EExtended strand (participates in β ladder)trans-120.7138.9174.3630000110L203 F212 R223 F224 V226 D241 V242 I251 I254 M255L203-V237 HydrophobicContact CD1-CG1 3.76Å; F212-V237 HydrophobicContact CD2-CG1 3.64Å; F212-V237 HydrophobicContact CD2-CG2 4.14Å; F212-V237 HydrophobicContact CE2-CB 4.48Å; F212-V237 HydrophobicContact CE2-CG1 3.86Å; F212-V237 HydrophobicContact CE2-CG2 4.11Å; R223-V237 CarbonylContact C-O 3.53Å; R223-V237 VanDerWaalsContact CA-O 3.3Å; R223-V237 WeakPolarHBondContact CA-O 3.3Å; F224-V237 HydrophobicContact CB-CG1 4.49Å; F224-V237 PolarHBondContact N-O 2.82Å; F224-V237 PolarHBondContact O-N 2.85Å; V226-V237 HydrophobicContact CG2-CB 4.26Å; V226-V237 HydrophobicContact CG2-CG1 3.83Å; V237-D241 HydrophobicContact CG2-CB 4.05Å; V237-V242 HydrophobicContact CG2-CG1 4.15Å; V237-I251 HydrophobicContact CB-CG2 3.94Å; V237-I251 HydrophobicContact CG1-CD1 4.37Å; V237-I251 HydrophobicContact CG1-CG2 3.8Å; V237-I251 HydrophobicContact CG2-CD1 4.02Å; V237-I251 HydrophobicContact CG2-CG2 4.24Å; V237-I254 HydrophobicContact CG2-CD1 4.29Å; V237-M255 HydrophobicContact CB-CB 4.32Å
238S95.5Very high95.6Very high11 Ų1163.3 Ų63.38%0.07735%0.354CS..EExtended strand (participates in β ladder)trans-123.7165.9179.974.20000111.6V222 L240 D241V222-S238 CarbonylContact O-C 3.53Å; V222-S238 WeakPolarHBondContact O-CA 3.38Å; S238-L240 PolarHBondContact O-N 3.26Å; S238-L240 PolarHBondContact OG-N 2.86Å; S238-D241 WeakPolarHBondContact CA-OD2 3.49Å; S238-D241 WeakPolarHBondContact CB-OD2 3.32Å; S238-D241 PolarHBondContact N-OD2 3.07Å; S238-D241 WeakPolarHBondContact O-CB 3.29Å; S238-D241 PolarHBondContact O-N 2.98Å; S238-D241 PolarHBondContact OG-OD2 3.44Å
239M94Very high95.5Very high84 Ų8464 Ų6441%0.41436%0.357SS..Hα-helixtrans-55-34.4173.7-177.4177-8000111.8F212 I216 V222 D241 V242 V243F212-M239 HydrophobicContact CZ-CB 4.48Å; I216-M239 HydrophobicContact CD1-CE 3.85Å; V222-M239 HydrophobicContact CB-CB 4.17Å; V222-M239 HydrophobicContact CB-CE 4.19Å; V222-M239 HydrophobicContact CG1-CE 3.63Å; V222-M239 PolarHBondContact O-N 3.33Å; M239-D241 VanDerWaalsContact C-N 3.26Å; M239-D241 PolarHBondContact O-N 2.92Å; M239-V242 WeakPolarHBondContact O-CG2 3.43Å; M239-V242 PolarHBondContact O-N 2.91Å; M239-V243 VanDerWaalsContact O-CG2 3.29Å; M239-V243 WeakPolarHBondContact O-CG2 3.12Å; M239-V243 PolarHBondContact O-N 3.38Å
240L92.9Very high95.6Very high133 Ų13361.7 Ų61.770%0.69634%0.335SS*.Hα-helixtrans-64.8-30.7178-66.8172.5000112.6S238 V242S238-L240 PolarHBondContact O-N 3.26Å; S238-L240 PolarHBondContact OG-N 2.86Å; L240-V242 VanDerWaalsContact C-N 3.29Å; L240-V242 PolarHBondContact O-N 3.49Å
241D93.8Very high95.6Very high46 Ų4653.9 Ų53.925%0.24630%0.302CS..Hα-helixtrans-75.7-20.6-178-55.1-53.7000112.5V237 S238 M239 K245V237-D241 HydrophobicContact CG2-CB 4.05Å; S238-D241 WeakPolarHBondContact CA-OD2 3.49Å; S238-D241 WeakPolarHBondContact CB-OD2 3.32Å; S238-D241 PolarHBondContact N-OD2 3.07Å; S238-D241 WeakPolarHBondContact O-CB 3.29Å; S238-D241 PolarHBondContact O-N 2.98Å; S238-D241 PolarHBondContact OG-OD2 3.44Å; M239-D241 VanDerWaalsContact C-N 3.26Å; M239-D241 PolarHBondContact O-N 2.92Å; D241-K245 WeakPolarHBondContact O-CD 3.36Å; D241-K245 VanDerWaalsContact O-CE 3.24Å; D241-K245 WeakPolarHBondContact O-CE 3.24Å; D241-K245 PolarHBondContact O-NZ 3.39Å
242V93.9Very high95.5Very high12 Ų1256 Ų567%0.07331%0.31CS..Hα-helixtrans-102.8-13-177.6-56.70000114I209 F212 V237 M239 L240 G244 K245 I254I209-V242 HydrophobicContact CD1-CB 4.13Å; I209-V242 HydrophobicContact CD1-CG1 4.13Å; I209-V242 HydrophobicContact CG1-CB 4.41Å; I209-V242 HydrophobicContact CG1-CG1 3.98Å; I209-V242 HydrophobicContact CG2-CB 4.07Å; I209-V242 HydrophobicContact CG2-CG1 4.22Å; F212-V242 HydrophobicContact CD1-CB 4.41Å; F212-V242 HydrophobicContact CD1-CG1 3.8Å; F212-V242 HydrophobicContact CD1-CG2 3.91Å; F212-V242 HydrophobicContact CE1-CB 4.31Å; F212-V242 HydrophobicContact CE1-CG1 3.89Å; F212-V242 HydrophobicContact CE1-CG2 3.44Å; F212-V242 VanDerWaalsContact CE1-CG2 3.44Å; F212-V242 HydrophobicContact CG-CG1 4.21Å; F212-V242 HydrophobicContact CZ-CG1 4.4Å; F212-V242 HydrophobicContact CZ-CG2 4.24Å; V237-V242 HydrophobicContact CG2-CG1 4.15Å; M239-V242 WeakPolarHBondContact O-CG2 3.43Å; M239-V242 PolarHBondContact O-N 2.91Å; L240-V242 VanDerWaalsContact C-N 3.29Å; L240-V242 PolarHBondContact O-N 3.49Å; V242-G244 PolarHBondContact O-N 3.36Å; V242-K245 WeakPolarHBondContact O-CB 3.28Å; V242-K245 PolarHBondContact O-N 3.16Å; V242-K245 VanDerWaalsContact O-N 3.08Å; V242-I254 HydrophobicContact CG1-CD1 3.66Å
243V92.3Very high95.4Very high104 Ų10458.5 Ų58.563%0.6333%0.328SS*.THydrogen-bonded Turntrans-57127.9-177.9165.50000110.3M239 K245M239-V243 VanDerWaalsContact O-CG2 3.29Å; M239-V243 WeakPolarHBondContact O-CG2 3.12Å; M239-V243 PolarHBondContact O-N 3.38Å; V243-K245 VanDerWaalsContact C-N 3.28Å; V243-K245 PolarHBondContact O-N 3.46Å
244G92.9Very high95.2Very high88 Ų8859.5 Ų59.591%0.90733%0.333SS*.THydrogen-bonded Turntrans77.25.2178.700000115.4V242V242-G244 PolarHBondContact O-N 3.36Å
245K95Very high95.1Very high86 Ų8658.5 Ų58.537%0.37433%0.326SS..  trans-102.2150.4-178.5-65.8-174.9-174.5166.10112I209 D241 V242 V243 I249 I254I209-K245 HydrophobicContact CD1-CB 3.43Å; I209-K245 VanDerWaalsContact CD1-CB 3.43Å; I209-K245 HydrophobicContact CD1-CD 4.23Å; I209-K245 HydrophobicContact CD1-CG 4.47Å; D241-K245 WeakPolarHBondContact O-CD 3.36Å; D241-K245 VanDerWaalsContact O-CE 3.24Å; D241-K245 WeakPolarHBondContact O-CE 3.24Å; D241-K245 PolarHBondContact O-NZ 3.39Å; V242-K245 WeakPolarHBondContact O-CB 3.28Å; V242-K245 PolarHBondContact O-N 3.16Å; V242-K245 VanDerWaalsContact O-N 3.08Å; V243-K245 VanDerWaalsContact C-N 3.28Å; V243-K245 PolarHBondContact O-N 3.46Å; K245-I249 HydrophobicContact CB-CD1 4.05Å; K245-I254 HydrophobicContact CD-CD1 4.36Å; K245-I254 HydrophobicContact CD-CG2 3.83Å
246E95.7Very high95Very high128 Ų12861.2 Ų61.260%0.59835%0.345SS*.  trans-73.6144.1179.5-65.1-167.5-152.800112.7H248 I249E246-H248 WeakPolarHBondContact CB-ND1 3.38Å; E246-H248 PolarHBondContact O-N 2.87Å; E246-H248 IonicContact OE2-CE1 2.9Å; E246-H248 PolarHBondContact OE2-CE1 3.23Å; E246-H248 IonicContact OE2-ND1 3.07Å; E246-H248 PolarHBondContact OE2-ND1 3.03Å; E246-H248 VanDerWaalsContact OE2-ND1 3.07Å; E246-I249 HydrophobicContact CB-CD1 4.3Å; E246-I249 HydrophobicContact CB-CG1 4.41Å; E246-I249 WeakPolarHBondContact O-CB 3.14Å; E246-I249 PolarHBondContact O-N 3.23Å; E246-I249 VanDerWaalsContact O-N 3.11Å
247N95.3Very high94.8Very high80 Ų8067 Ų6743%0.42836%0.364SS..THydrogen-bonded Turntrans-59.6-18.7-174.7-78.6-33000115.3I209 R210 N213I209-N247 PolarHBondContact N-O 3.31Å; R210-N247 HydrophobicContact CB-CB 4.26Å; R210-N247 PolarHBondContact N-O 2.82Å; N213-N247 PolarHBondContact ND2-OD1 3.21Å
248H96Very high94.5Very high124 Ų12473 Ų7357%0.57440%0.396SS*.THydrogen-bonded Turntrans-88.5-8.4-176.873.9-94.6000113.3E246E246-H248 WeakPolarHBondContact CB-ND1 3.38Å; E246-H248 PolarHBondContact O-N 2.87Å; E246-H248 IonicContact OE2-CE1 2.9Å; E246-H248 PolarHBondContact OE2-CE1 3.23Å; E246-H248 IonicContact OE2-ND1 3.07Å; E246-H248 PolarHBondContact OE2-ND1 3.03Å; E246-H248 VanDerWaalsContact OE2-ND1 3.07Å
249I95.9Very high94.1Very high47 Ų4775.6 Ų75.624%0.24141%0.409CS..SBendtrans-68138.6-179-67.4175.5000110.3T208 I209 K245 E246 I254T208-I249 CarbonylContact C-O 3.58Å; T208-I249 VanDerWaalsContact CA-O 3.32Å; T208-I249 WeakPolarHBondContact CA-O 3.43Å; I209-I249 HydrophobicContact CD1-CB 3.9Å; I209-I249 HydrophobicContact CD1-CG2 4.24Å; I209-I249 HydrophobicContact CG1-CB 4.32Å; I209-I249 PolarHBondContact N-O 2.87Å; K245-I249 HydrophobicContact CB-CD1 4.05Å; E246-I249 HydrophobicContact CB-CD1 4.3Å; E246-I249 HydrophobicContact CB-CG1 4.41Å; E246-I249 WeakPolarHBondContact O-CB 3.14Å; E246-I249 PolarHBondContact O-N 3.23Å; E246-I249 VanDerWaalsContact O-N 3.11Å; I249-I254 HydrophobicContact CG2-CG2 4.07Å
250D96.5Very high94.1Very high64 Ų6473.2 Ų73.234%0.34240%0.398SS..BIsolated β-bridgetrans-71.2127.9176.9-178.6-5.4000111.2K252 S253D250-K252 PolarHBondContact O-N 2.77Å; D250-K252 WeakPolarHBondContact OD1-CB 3.5Å; D250-K252 PolarHBondContact OD1-N 3.07Å; D250-S253 WeakPolarHBondContact O-CB 3.49Å; D250-S253 PolarHBondContact O-N 3.33Å; D250-S253 VanDerWaalsContact O-N 3.08Å; D250-S253 PolarHBondContact O-OG 2.96Å
251I96.8Very high94.3Very high0 Ų068.5 Ų68.50%037%0.374CS..G310 helixtrans-56.4-36.2177.4-66.6-70.2000111.3L203 A207 I209 F212 V226 V237 S253 I254 M255L203-I251 HydrophobicContact CD1-CD1 4.41Å; L203-I251 HydrophobicContact CD1-CG1 4.39Å; A207-I251 HydrophobicContact CB-CG1 4.26Å; A207-I251 VanDerWaalsContact O-CB 3.32Å; A207-I251 WeakPolarHBondContact O-CB 3.48Å; A207-I251 WeakPolarHBondContact O-CG1 3.09Å; A207-I251 PolarHBondContact O-N 3.25Å; I209-I251 HydrophobicContact CG1-CD1 4.19Å; F212-I251 HydrophobicContact CB-CD1 3.71Å; F212-I251 HydrophobicContact CD2-CD1 4.42Å; F212-I251 HydrophobicContact CG-CD1 4.25Å; V226-I251 HydrophobicContact CG1-CG2 4.34Å; V226-I251 HydrophobicContact CG2-CG2 3.67Å; V237-I251 HydrophobicContact CB-CG2 3.94Å; V237-I251 HydrophobicContact CG1-CD1 4.37Å; V237-I251 HydrophobicContact CG1-CG2 3.8Å; V237-I251 HydrophobicContact CG2-CD1 4.02Å; V237-I251 HydrophobicContact CG2-CG2 4.24Å; I251-S253 PolarHBondContact O-N 3.42Å; I251-S253 VanDerWaalsContact O-N 3.16Å; I251-I254 HydrophobicContact CD1-CD1 4.24Å; I251-I254 VanDerWaalsContact O-CG1 3.29Å; I251-I254 WeakPolarHBondContact O-CG1 3.49Å; I251-I254 PolarHBondContact O-N 3.26Å; I251-M255 HydrophobicContact CG2-CB 4.36Å; I251-M255 WeakPolarHBondContact O-CB 3.49Å; I251-M255 PolarHBondContact O-N 3.33Å
252K95.3Very high94.4Very high74 Ų7466.4 Ų66.432%0.32236%0.363SS..G310 helixtrans-61-25.7178.9178.9171.9-174.8162.50113.4E205 D250 I254 M255 R257E205-K252 HydrophobicContact CB-CD 4.41Å; E205-K252 WeakPolarHBondContact O-CB 3.36Å; E205-K252 WeakPolarHBondContact OE2-CE 3.26Å; E205-K252 IonicContact OE2-NZ 3.78Å; E205-K252 PolarHBondContact OE2-NZ 2.85Å; D250-K252 PolarHBondContact O-N 2.77Å; D250-K252 WeakPolarHBondContact OD1-CB 3.5Å; D250-K252 PolarHBondContact OD1-N 3.07Å; K252-I254 VanDerWaalsContact C-N 3.32Å; K252-M255 HydrophobicContact CG-CE 4.17Å; K252-R257 PolarHBondContact O-NH2 3.13Å
253S94.7Very high94.6Very high83 Ų8368.1 Ų68.158%0.5837%0.369SS*.G310 helixtrans-78.9-15.8177.672.90000113.6D250 I251D250-S253 WeakPolarHBondContact O-CB 3.49Å; D250-S253 PolarHBondContact O-N 3.33Å; D250-S253 VanDerWaalsContact O-N 3.08Å; D250-S253 PolarHBondContact O-OG 2.96Å; I251-S253 PolarHBondContact O-N 3.42Å; I251-S253 VanDerWaalsContact O-N 3.16Å
254I94.7Very high94.7Very high23 Ų2363.6 Ų63.612%0.11834%0.342CS..THydrogen-bonded Turntrans-125-15.7-171.862.7163000114.4I209 V237 V242 K245 I249 I251 K252I209-I254 HydrophobicContact CD1-CD1 3.83Å; I209-I254 HydrophobicContact CG1-CD1 3.94Å; V237-I254 HydrophobicContact CG2-CD1 4.29Å; V242-I254 HydrophobicContact CG1-CD1 3.66Å; K245-I254 HydrophobicContact CD-CD1 4.36Å; K245-I254 HydrophobicContact CD-CG2 3.83Å; I249-I254 HydrophobicContact CG2-CG2 4.07Å; I251-I254 HydrophobicContact CD1-CD1 4.24Å; I251-I254 VanDerWaalsContact O-CG1 3.29Å; I251-I254 WeakPolarHBondContact O-CG1 3.49Å; I251-I254 PolarHBondContact O-N 3.26Å; K252-I254 VanDerWaalsContact C-N 3.32Å
255M95.2Very high94.6Very high12 Ų1265 Ų656%0.05933%0.325CS..SBendtrans-63.7149.2179.769.6-177.1-172.600111.7V226 V234 V237 I251 K252 R257V226-M255 HydrophobicContact CB-SD 3.82Å; V226-M255 HydrophobicContact CG1-SD 3.76Å; V226-M255 HydrophobicContact CG2-CB 4.3Å; V226-M255 HydrophobicContact CG2-SD 4.04Å; V234-M255 HydrophobicContact CB-CE 4.26Å; V234-M255 HydrophobicContact CG2-CE 3.96Å; V234-M255 HydrophobicContact CG2-SD 4.3Å; V234-M255 WeakPolarHBondContact O-CE 2.88Å; V237-M255 HydrophobicContact CB-CB 4.32Å; I251-M255 HydrophobicContact CG2-CB 4.36Å; I251-M255 WeakPolarHBondContact O-CB 3.49Å; I251-M255 PolarHBondContact O-N 3.33Å; K252-M255 HydrophobicContact CG-CE 4.17Å; M255-R257 HydrophobicContact CE-CG 4.22Å; M255-R257 HydrophobicContact CG-CG 4.5Å; M255-R257 PolarHBondContact O-N 3.49Å
256S94.3Very high94.5Very high57 Ų5762 Ų6240%0.39932%0.316SS..BIsolated β-bridgetrans-68127.9166-179.10000109.8G235 V236 N258G235-S256 WeakPolarHBondContact CA-O 3.38Å; V236-S256 PolarHBondContact N-O 3.48Å; V236-S256 PolarHBondContact O-N 2.89Å; S256-N258 PolarHBondContact OG-N 3.26Å
257R92.7Very high94.3Very high152 Ų15257.3 Ų57.357%0.57430%0.298SS*.  trans-98.4-7.7176.6-64175.2-178.3-104.7-0.2112.8K252 M255 L259K252-R257 PolarHBondContact O-NH2 3.13Å; M255-R257 HydrophobicContact CE-CG 4.22Å; M255-R257 HydrophobicContact CG-CG 4.5Å; M255-R257 PolarHBondContact O-N 3.49Å; R257-L259 VanDerWaalsContact C-N 3.34Å; R257-L259 PolarHBondContact O-N 2.94Å
258N90.7Very high94.1Very high125 Ų12553.5 Ų53.567%0.66828%0.277SS*.SBendtrans-77.490.5172.7-173.217.4000108.6S256 I260S256-N258 PolarHBondContact OG-N 3.26Å; N258-I260 PolarHBondContact O-N 3.41Å
259L88.2Confident93.6Very high65 Ų6549.8 Ų49.834%0.3427%0.268SS..  trans-76.6108.5-172.8-72.4174.7000111V233 R257V233-L259 HydrophobicContact CG1-CD2 3.82Å; V233-L259 WeakPolarHBondContact O-CD1 3.49Å; R257-L259 VanDerWaalsContact C-N 3.34Å; R257-L259 PolarHBondContact O-N 2.94Å
260I93.6Very high93.3Very high35 Ų3552.1 Ų52.118%0.17928%0.281CS..  trans-108.4121.4165.8-55.9155000106.5N258 K274 E278 L280 L283 P284N258-I260 PolarHBondContact O-N 3.41Å; I260-K274 HydrophobicContact CG2-CD 4.41Å; I260-E278 VanDerWaalsContact CD1-OE2 3.24Å; I260-E278 WeakPolarHBondContact CD1-OE2 3.44Å; I260-L280 HydrophobicContact CB-CD1 4.21Å; I260-L280 HydrophobicContact CD1-CD1 3.93Å; I260-L280 HydrophobicContact CD1-CD2 4.08Å; I260-L280 HydrophobicContact CG2-CD1 3.78Å; I260-L283 HydrophobicContact CB-CD2 3.98Å; I260-L283 HydrophobicContact CG2-CD2 3.6Å; I260-L283 VanDerWaalsContact O-CD2 3.26Å; I260-L283 WeakPolarHBondContact O-CD2 3.48Å; I260-P284 WeakPolarHBondContact O-CD 3.37Å
261V96.5Very high93.1Very high34 Ų3449.5 Ų49.521%0.20627%0.267CS..  trans-129.8160.5-175-61.50000110.6P284 V286 L290V261-P284 CarbonylContact C-O 3.44Å; V261-P284 WeakPolarHBondContact CA-O 3.32Å; V261-P284 HydrophobicContact CG1-CB 4.23Å; V261-P284 HydrophobicContact CG1-CG 4.39Å; V261-V286 HydrophobicContact CB-CG1 4.31Å; V261-V286 HydrophobicContact CB-CG2 3.86Å; V261-V286 HydrophobicContact CG1-CG1 4.14Å; V261-V286 HydrophobicContact CG1-CG2 4.36Å; V261-V286 HydrophobicContact CG2-CG2 3.72Å; V261-L290 HydrophobicContact CG2-CD2 4.32Å
262A97Very high92.8Very high1 Ų149.7 Ų49.71%0.00827%0.268CS..BIsolated β-bridgetrans-109.1148.2171.100000110.4V190 I271 L283 P284 V285 V286 I296V190-A262 HydrophobicContact CG1-CB 4.41Å; V190-A262 HydrophobicContact CG2-CB 4.35Å; A262-I271 HydrophobicContact CB-CD1 3.83Å; A262-I271 HydrophobicContact CB-CG1 4.37Å; A262-L283 HydrophobicContact CB-CB 4.38Å; A262-L283 HydrophobicContact CB-CD1 4.39Å; A262-P284 PolarHBondContact N-O 3.14Å; A262-V285 HydrophobicContact CB-CG2 4.3Å; A262-V285 WeakPolarHBondContact O-CA 3.47Å; A262-V286 PolarHBondContact O-N 3.26Å; A262-I296 HydrophobicContact CB-CG2 4.22Å
263K96.8Very high92.3Very high48 Ų4851.3 Ų51.321%0.20928%0.277CS..  trans-102.4145.5170.7-62.2-72.2179.2155.60108.7Q265 A266 V286 A287 E288K263-Q265 PolarHBondContact O-N 2.86Å; K263-A266 WeakPolarHBondContact O-CB 3.43Å; K263-A266 PolarHBondContact O-N 3.16Å; K263-V286 HydrophobicContact CD-CG2 4.25Å; K263-A287 PolarHBondContact NZ-O 3.46Å; K263-E288 IonicContact NZ-OE2 3.8Å; K263-E288 PolarHBondContact NZ-OE2 3.36Å
264P94.7Very high92.1Very high9 Ų950.6 Ų50.66%0.05826%0.264CS..THydrogen-bonded Turntrans-59.3-33.9-177-22.130.4000114.2T189 V190 E191 A266 V285 V286 L293T189-P264 WeakPolarHBondContact CB-O 3.43Å; V190-P264 PolarHBondContact N-O 3.04Å; E191-P264 HydrophobicContact CB-CB 3.91Å; E191-P264 WeakPolarHBondContact CB-O 3.33Å; E191-P264 HydrophobicContact CG-CB 4.39Å; E191-P264 PolarHBondContact N-O 3.35Å; E191-P264 WeakPolarHBondContact OE2-CB 3.13Å; P264-A266 VanDerWaalsContact C-N 3.25Å; P264-A266 PolarHBondContact O-N 2.97Å; P264-V285 HydrophobicContact CG-CG1 3.92Å; P264-V286 WeakPolarHBondContact CD-O 3.46Å; P264-L293 HydrophobicContact CG-CD1 3.5Å; P264-L293 VanDerWaalsContact CG-CD1 3.5Å
265Q91.8Very high91.9Very high118 Ų11849.5 Ų49.555%0.55126%0.258SS*.THydrogen-bonded Turntrans-75.4-7.2176.870.5-85.625.300114.5K263 E288K263-Q265 PolarHBondContact O-N 2.86Å; Q265-E288 PolarHBondContact NE2-OE1 3.22Å; Q265-E288 VanDerWaalsContact NE2-OE1 3.16Å
266A92.8Very high91.4Very high23 Ų2349.1 Ų49.119%0.1926%0.256CS..SBendtrans-67.3142179.500000110.8T189 V190 K263 P264 L268 I271T189-A266 CarbonylContact C-O 3.46Å; T189-A266 VanDerWaalsContact CA-O 3.31Å; T189-A266 WeakPolarHBondContact CA-O 3.29Å; V190-A266 HydrophobicContact CG2-CB 4.14Å; V190-A266 PolarHBondContact N-O 3.34Å; K263-A266 WeakPolarHBondContact O-CB 3.43Å; K263-A266 PolarHBondContact O-N 3.16Å; P264-A266 VanDerWaalsContact C-N 3.25Å; P264-A266 PolarHBondContact O-N 2.97Å; A266-L268 PolarHBondContact O-N 3.23Å; A266-I271 HydrophobicContact CB-CD1 4.09Å; A266-I271 HydrophobicContact CB-CG1 3.95Å
267S90.3Very high90.9Very high29 Ų2953 Ų5320%0.20327%0.266CS..BIsolated β-bridgetrans-62.4133172.9170.80000110.6A269 N270 I271S267-A269 PolarHBondContact O-N 3.3Å; S267-A269 PolarHBondContact OG-N 3.46Å; S267-N270 PolarHBondContact O-N 2.88Å; S267-I271 WeakPolarHBondContact O-CG1 2.99Å; S267-I271 PolarHBondContact O-N 3.34Å
268L91Very high90.5Very high0 Ų049.6 Ų49.60%026%0.257CS..Hα-helixtrans-60.6-34.9175.9-16574.1000111.8T188 V193 A266 I271 S272 I296 A301 N304T188-L268 HydrophobicContact CG2-CB 4.2Å; T188-L268 HydrophobicContact CG2-CD2 3.79Å; T188-L268 WeakPolarHBondContact O-CB 3.3Å; T188-L268 PolarHBondContact O-N 3.3Å; V193-L268 HydrophobicContact CB-CD1 4.14Å; V193-L268 HydrophobicContact CG1-CD1 4.28Å; V193-L268 HydrophobicContact CG2-CD1 4.15Å; V193-L268 HydrophobicContact CG2-CD2 4.03Å; A266-L268 PolarHBondContact O-N 3.23Å; L268-I271 PolarHBondContact O-N 3.36Å; L268-S272 VanDerWaalsContact O-CB 3.26Å; L268-S272 WeakPolarHBondContact O-CB 3.4Å; L268-S272 PolarHBondContact O-N 2.92Å; L268-I296 HydrophobicContact CD1-CD1 3.47Å; L268-I296 VanDerWaalsContact CD1-CD1 3.47Å; L268-A301 HydrophobicContact CD1-CB 4.22Å; L268-A301 WeakPolarHBondContact CD2-O 3.07Å; L268-N304 HydrophobicContact CD2-CB 3.64Å; L268-N304 WeakPolarHBondContact CD2-O 3.28Å
269A86.9Confident90.4Very high46 Ų4648.3 Ų48.338%0.3825%0.25SC..Hα-helixtrans-60.8-47.6176.400000111.9S267 S272 Q273 L305S267-A269 PolarHBondContact O-N 3.3Å; S267-A269 PolarHBondContact OG-N 3.46Å; A269-S272 PolarHBondContact O-N 2.82Å; A269-Q273 WeakPolarHBondContact O-CB 3.5Å; A269-Q273 PolarHBondContact O-N 3.17Å; A269-L305 HydrophobicContact CB-CD2 4.05Å
270N89Confident90.5Very high96 Ų9646.9 Ų46.951%0.51324%0.242SC..Hα-helixtrans-62.3-47.1176-177.73.3000111.2S267 S272 Q273 K274S267-N270 PolarHBondContact O-N 2.88Å; N270-S272 PolarHBondContact O-N 3.37Å; N270-Q273 PolarHBondContact O-N 3.26Å; N270-K274 WeakPolarHBondContact O-CB 3.45Å; N270-K274 PolarHBondContact O-N 2.94Å
271I92.4Very high90.5Very high9 Ų948.2 Ų48.25%0.04625%0.25CC..Hα-helixtrans-61.6-44.3178.9-67.8-58.4000111.7V190 A262 A266 S267 L268 Q273 K274 M275 L283 I296V190-I271 HydrophobicContact CG2-CB 4.25Å; V190-I271 HydrophobicContact CG2-CG1 3.56Å; V190-I271 HydrophobicContact CG2-CG2 4.46Å; A262-I271 HydrophobicContact CB-CD1 3.83Å; A262-I271 HydrophobicContact CB-CG1 4.37Å; A266-I271 HydrophobicContact CB-CD1 4.09Å; A266-I271 HydrophobicContact CB-CG1 3.95Å; S267-I271 WeakPolarHBondContact O-CG1 2.99Å; S267-I271 PolarHBondContact O-N 3.34Å; L268-I271 PolarHBondContact O-N 3.36Å; I271-Q273 PolarHBondContact O-N 2.92Å; I271-K274 PolarHBondContact O-N 2.98Å; I271-M275 HydrophobicContact CG2-CG 4.25Å; I271-M275 HydrophobicContact CG2-SD 3.76Å; I271-M275 WeakPolarHBondContact O-CB 3.35Å; I271-M275 WeakPolarHBondContact O-CG 3.19Å; I271-M275 PolarHBondContact O-N 3.23Å; I271-L283 HydrophobicContact CD1-CD1 4.49Å; I271-L283 HydrophobicContact CG2-CD1 4.01Å; I271-I296 HydrophobicContact CG2-CD1 4.31Å; I271-I296 HydrophobicContact CG2-CG2 4.26Å
272S89.7Confident90.4Very high4 Ų447.2 Ų47.23%0.02824%0.243CC..Hα-helixtrans-58.2-49.1175-179.80000111.8L268 A269 N270 K274 M275 I276 V302L268-S272 VanDerWaalsContact O-CB 3.26Å; L268-S272 WeakPolarHBondContact O-CB 3.4Å; L268-S272 PolarHBondContact O-N 2.92Å; A269-S272 PolarHBondContact O-N 2.82Å; N270-S272 PolarHBondContact O-N 3.37Å; S272-K274 PolarHBondContact O-N 2.92Å; S272-M275 PolarHBondContact O-N 3.44Å; S272-I276 WeakPolarHBondContact O-CD1 3.42Å; S272-I276 VanDerWaalsContact O-CG1 3.23Å; S272-I276 WeakPolarHBondContact O-CG1 3.48Å; S272-I276 PolarHBondContact O-N 2.84Å; S272-V302 WeakPolarHBondContact OG-CG2 3.49Å
273Q86.3Confident90.4Very high109 Ų10947.3 Ų47.351%0.50924%0.243SC..Hα-helixtrans-59.8-47177.9-174.9177.2-2.400111.7A269 N270 I271 M275 I276 F277 I372A269-Q273 WeakPolarHBondContact O-CB 3.5Å; A269-Q273 PolarHBondContact O-N 3.17Å; N270-Q273 PolarHBondContact O-N 3.26Å; I271-Q273 PolarHBondContact O-N 2.92Å; Q273-M275 PolarHBondContact O-N 3.26Å; Q273-I276 PolarHBondContact O-N 3.15Å; Q273-F277 WeakPolarHBondContact O-CB 3.4Å; Q273-F277 PolarHBondContact O-N 2.81Å; Q273-I372 HydrophobicContact CG-CD1 4.24Å
274K89.5Confident90.5Very high68 Ų6845 Ų4530%0.29623%0.234SC..Hα-helixtrans-58.9-47.4176.9-173.6175.3-173.6176.20111.6I260 N270 I271 S272 I276 F277 E278I260-K274 HydrophobicContact CG2-CD 4.41Å; N270-K274 WeakPolarHBondContact O-CB 3.45Å; N270-K274 PolarHBondContact O-N 2.94Å; I271-K274 PolarHBondContact O-N 2.98Å; S272-K274 PolarHBondContact O-N 2.92Å; K274-I276 VanDerWaalsContact C-N 3.27Å; K274-I276 PolarHBondContact O-N 3.08Å; K274-F277 PolarHBondContact O-N 3.06Å; K274-E278 WeakPolarHBondContact CE-OE1 3.43Å; K274-E278 WeakPolarHBondContact CE-OE2 3.32Å; K274-E278 HydrophobicContact CG-CG 4.49Å; K274-E278 WeakPolarHBondContact O-CB 3.36Å; K274-E278 PolarHBondContact O-N 3.31Å
275M91.4Very high90.7Very high0 Ų044.6 Ų44.60%023%0.231CC..Hα-helixtrans-60.8-36.8178.2-71.9178.197.300112.3I271 S272 Q273 D279 L280 L283 R298 A301I271-M275 HydrophobicContact CG2-CG 4.25Å; I271-M275 HydrophobicContact CG2-SD 3.76Å; I271-M275 WeakPolarHBondContact O-CB 3.35Å; I271-M275 WeakPolarHBondContact O-CG 3.19Å; I271-M275 PolarHBondContact O-N 3.23Å; S272-M275 PolarHBondContact O-N 3.44Å; Q273-M275 PolarHBondContact O-N 3.26Å; M275-D279 CarbonylContact O-C 3.5Å; M275-D279 WeakPolarHBondContact O-CA 3.49Å; M275-D279 PolarHBondContact O-N 3.39Å; M275-D279 VanDerWaalsContact O-N 3.17Å; M275-L280 HydrophobicContact CB-CB 4.4Å; M275-L280 WeakPolarHBondContact CB-O 3.37Å; M275-L280 HydrophobicContact CG-CB 4.33Å; M275-L280 PolarHBondContact O-N 3.16Å; M275-L283 HydrophobicContact CE-CB 4.49Å; M275-L283 HydrophobicContact CE-CD1 4.44Å; M275-L283 HydrophobicContact CE-CG 4.09Å; M275-L283 HydrophobicContact CG-CD1 3.66Å; M275-L283 HydrophobicContact CG-CG 4.1Å; M275-L283 HydrophobicContact SD-CD1 4.1Å; M275-L283 HydrophobicContact SD-CG 4.4Å; M275-R298 HydrophobicContact CB-CB 4.46Å; M275-R298 HydrophobicContact CB-CG 4.27Å; M275-R298 HydrophobicContact CE-CB 3.85Å; M275-R298 HydrophobicContact SD-CB 4.34Å; M275-A301 HydrophobicContact SD-CB 4.02Å
276I84.3Confident91Very high3 Ų339 Ų392%0.01520%0.204CC..Hα-helixtrans-73.7-40.9177.6-67.3164.2000112S272 Q273 K274 V302 I372 K425 N427S272-I276 WeakPolarHBondContact O-CD1 3.42Å; S272-I276 VanDerWaalsContact O-CG1 3.23Å; S272-I276 WeakPolarHBondContact O-CG1 3.48Å; S272-I276 PolarHBondContact O-N 2.84Å; Q273-I276 PolarHBondContact O-N 3.15Å; K274-I276 VanDerWaalsContact C-N 3.27Å; K274-I276 PolarHBondContact O-N 3.08Å; I276-V302 HydrophobicContact CD1-CG2 4.26Å; I276-I372 HydrophobicContact CB-CD1 3.52Å; I276-I372 HydrophobicContact CD1-CD1 3.76Å; I276-I372 HydrophobicContact CG1-CD1 4.23Å; I276-I372 HydrophobicContact CG2-CD1 3.24Å; I276-I372 HydrophobicContact CG2-CG1 4.41Å; I276-K425 HydrophobicContact CG2-CD 4.23Å; I276-K425 PolarHBondContact O-NZ 3.11Å; I276-N427 WeakPolarHBondContact CG2-ND2 3.44Å
277F82.9Confident91.2Very high138 Ų13839.3 Ų39.361%0.60521%0.207SC*.Hα-helixtrans-68.2-47.5-177.6-170.1-98.5000111Q273 K274 D279Q273-F277 WeakPolarHBondContact O-CB 3.4Å; Q273-F277 PolarHBondContact O-N 2.81Å; K274-F277 PolarHBondContact O-N 3.06Å; F277-D279 VanDerWaalsContact C-N 3.3Å; F277-D279 PolarHBondContact O-N 2.84Å
278E85.7Confident91.4Very high82 Ų8244.4 Ų44.438%0.38323%0.228SC..THydrogen-bonded Turntrans-86.75.3-179.3-63.7177.8-159.300113.4I260 K274 L280I260-E278 VanDerWaalsContact CD1-OE2 3.24Å; I260-E278 WeakPolarHBondContact CD1-OE2 3.44Å; K274-E278 WeakPolarHBondContact CE-OE1 3.43Å; K274-E278 WeakPolarHBondContact CE-OE2 3.32Å; K274-E278 HydrophobicContact CG-CG 4.49Å; K274-E278 WeakPolarHBondContact O-CB 3.36Å; K274-E278 PolarHBondContact O-N 3.31Å; E278-L280 HydrophobicContact CB-CD1 3.9Å; E278-L280 HydrophobicContact CB-CD2 4.26Å; E278-L280 HydrophobicContact CB-CG 3.71Å; E278-L280 PolarHBondContact O-N 3.2Å; E278-L280 WeakPolarHBondContact OE2-CD1 3.4Å
279D86.9Confident91.7Very high97 Ų9749.4 Ų49.452%0.51925%0.254SS..THydrogen-bonded Turntrans51.937.2-176.4-157.436.5000114.5M275 F277 R298M275-D279 CarbonylContact O-C 3.5Å; M275-D279 WeakPolarHBondContact O-CA 3.49Å; M275-D279 PolarHBondContact O-N 3.39Å; M275-D279 VanDerWaalsContact O-N 3.17Å; F277-D279 VanDerWaalsContact C-N 3.3Å; F277-D279 PolarHBondContact O-N 2.84Å; D279-R298 IonicContact OD1-NH1 2.71Å; D279-R298 PolarHBondContact OD1-NH1 3.27Å; D279-R298 VanDerWaalsContact OD1-NH1 3.16Å
280L91.7Very high92.2Very high36 Ų3650.4 Ų50.419%0.18825%0.253CS..  trans-85.6127.7178.7-50.1174.5000110I260 M275 E278 L283 R298I260-L280 HydrophobicContact CB-CD1 4.21Å; I260-L280 HydrophobicContact CD1-CD1 3.93Å; I260-L280 HydrophobicContact CD1-CD2 4.08Å; I260-L280 HydrophobicContact CG2-CD1 3.78Å; M275-L280 HydrophobicContact CB-CB 4.4Å; M275-L280 WeakPolarHBondContact CB-O 3.37Å; M275-L280 HydrophobicContact CG-CB 4.33Å; M275-L280 PolarHBondContact O-N 3.16Å; E278-L280 HydrophobicContact CB-CD1 3.9Å; E278-L280 HydrophobicContact CB-CD2 4.26Å; E278-L280 HydrophobicContact CB-CG 3.71Å; E278-L280 PolarHBondContact O-N 3.2Å; E278-L280 WeakPolarHBondContact OE2-CD1 3.4Å; L280-L283 HydrophobicContact CD1-CD2 3.64Å; L280-L283 HydrophobicContact CD1-CG 4.4Å; L280-R298 WeakPolarHBondContact O-CD 3.24Å
281N92.6Very high92.6Very high62 Ų6247.2 Ų47.233%0.33224%0.237SC..SBendtrans-92.7-17.2178-70.3-64.3000113R223 T297 R298R223-N281 PolarHBondContact NH2-ND2 3.38Å; N281-T297 WeakPolarHBondContact O-CA 3.15Å; N281-R298 PolarHBondContact O-N 2.86Å
282M95.5Very high92.9Very high13 Ų1346.9 Ų46.96%0.06424%0.235CC..EExtended strand (participates in β ladder)trans-154.5141-175.2-176.9-84.7-76.700109.7R223 V236 P284 V295 I296R223-M282 HydrophobicContact CB-CB 4.33Å; R223-M282 HydrophobicContact CB-CE 3.74Å; V236-M282 HydrophobicContact CG1-CE 3.56Å; V236-M282 HydrophobicContact CG2-CE 4.43Å; M282-P284 HydrophobicContact SD-CG 4.45Å; M282-V295 HydrophobicContact CG-CG1 3.21Å; M282-V295 HydrophobicContact SD-CG1 3.53Å; M282-V295 VanDerWaalsContact SD-CG1 3.53Å; M282-V295 HydrophobicContact SD-CG2 4.27Å; M282-I296 WeakPolarHBondContact CA-O 3.2Å
283L97.1Very high93.3Very high3 Ų349.4 Ų49.42%0.01625%0.248CC..EExtended strand (participates in β ladder)trans-127.5134.2170.7-71.6176000110.5I260 A262 I271 M275 L280 I296I260-L283 HydrophobicContact CB-CD2 3.98Å; I260-L283 HydrophobicContact CG2-CD2 3.6Å; I260-L283 VanDerWaalsContact O-CD2 3.26Å; I260-L283 WeakPolarHBondContact O-CD2 3.48Å; A262-L283 HydrophobicContact CB-CB 4.38Å; A262-L283 HydrophobicContact CB-CD1 4.39Å; I271-L283 HydrophobicContact CD1-CD1 4.49Å; I271-L283 HydrophobicContact CG2-CD1 4.01Å; M275-L283 HydrophobicContact CE-CB 4.49Å; M275-L283 HydrophobicContact CE-CD1 4.44Å; M275-L283 HydrophobicContact CE-CG 4.09Å; M275-L283 HydrophobicContact CG-CD1 3.66Å; M275-L283 HydrophobicContact CG-CG 4.1Å; M275-L283 HydrophobicContact SD-CD1 4.1Å; M275-L283 HydrophobicContact SD-CG 4.4Å; L280-L283 HydrophobicContact CD1-CD2 3.64Å; L280-L283 HydrophobicContact CD1-CG 4.4Å; L283-I296 HydrophobicContact CB-CG2 3.91Å; L283-I296 PolarHBondContact N-O 2.82Å; L283-I296 PolarHBondContact O-N 3.28Å
284P98Very high93.9Very high1 Ų144.2 Ų44.21%0.00622%0.224CC..EExtended strand (participates in β ladder)trans-63.7134.9164.4-16.630.5000110.2P225 V233 V236 I260 V261 A262 M282 V286 L292P225-P284 HydrophobicContact CB-CB 4.21Å; P225-P284 HydrophobicContact CB-CG 4.09Å; V233-P284 HydrophobicContact CG1-CB 4.24Å; V233-P284 HydrophobicContact CG1-CG 4.15Å; V233-P284 HydrophobicContact CG2-CB 4.2Å; V236-P284 HydrophobicContact CG2-CG 3.64Å; I260-P284 WeakPolarHBondContact O-CD 3.37Å; V261-P284 CarbonylContact C-O 3.44Å; V261-P284 WeakPolarHBondContact CA-O 3.32Å; V261-P284 HydrophobicContact CG1-CB 4.23Å; V261-P284 HydrophobicContact CG1-CG 4.39Å; A262-P284 PolarHBondContact N-O 3.14Å; M282-P284 HydrophobicContact SD-CG 4.45Å; P284-V286 HydrophobicContact CB-CG1 4.28Å; P284-L292 HydrophobicContact CB-CD1 4.04Å
285V98.3Very high94.3Very high0 Ų041 Ų410%021%0.21CC..EExtended strand (participates in β ladder)trans-97.7124.6170.6-175.10000108.1V190 Y194 A262 P264 L293 G294 I296V190-V285 HydrophobicContact CG1-CB 4.48Å; V190-V285 HydrophobicContact CG1-CG1 3.94Å; V190-V285 HydrophobicContact CG1-CG2 3.64Å; Y194-V285 HydrophobicContact CD1-CG1 4.4Å; Y194-V285 HydrophobicContact CD2-CB 4.2Å; Y194-V285 HydrophobicContact CD2-CG1 4.37Å; Y194-V285 HydrophobicContact CD2-CG2 4.25Å; Y194-V285 HydrophobicContact CG-CB 4.32Å; Y194-V285 HydrophobicContact CG-CG1 4.26Å; Y194-V285 HydrophobicContact CG-CG2 4.04Å; A262-V285 HydrophobicContact CB-CG2 4.3Å; A262-V285 WeakPolarHBondContact O-CA 3.47Å; P264-V285 HydrophobicContact CG-CG1 3.92Å; V285-L293 HydrophobicContact CG1-CB 4.48Å; V285-L293 WeakPolarHBondContact O-CB 3.48Å; V285-L293 PolarHBondContact O-N 2.83Å; V285-G294 PolarHBondContact N-O 2.66Å; V285-G294 PolarHBondContact O-N 2.92Å; V285-G294 VanDerWaalsContact O-N 3.17Å; V285-I296 HydrophobicContact CG2-CB 4.11Å; V285-I296 HydrophobicContact CG2-CG2 3.9Å
286V98.2Very high94.5Very high0 Ų041 Ų410%021%0.21CC..EExtended strand (participates in β ladder)trans-131.4152.9-169.8-57.80000113.1V233 V261 A262 K263 P264 P284 L290 T291V233-V286 HydrophobicContact CB-CG1 4.3Å; V233-V286 HydrophobicContact CG2-CG1 3.58Å; V261-V286 HydrophobicContact CB-CG1 4.31Å; V261-V286 HydrophobicContact CB-CG2 3.86Å; V261-V286 HydrophobicContact CG1-CG1 4.14Å; V261-V286 HydrophobicContact CG1-CG2 4.36Å; V261-V286 HydrophobicContact CG2-CG2 3.72Å; A262-V286 PolarHBondContact O-N 3.26Å; K263-V286 HydrophobicContact CD-CG2 4.25Å; P264-V286 WeakPolarHBondContact CD-O 3.46Å; P284-V286 HydrophobicContact CB-CG1 4.28Å; V286-L290 HydrophobicContact CG2-CD2 3.84Å; V286-T291 CarbonylContact C-O 3.58Å; V286-T291 WeakPolarHBondContact CA-O 3.31Å; V286-T291 WeakPolarHBondContact CB-O 3.26Å
287A97.7Very high95.1Very high29 Ų2941.8 Ų41.824%0.2422%0.215CC..  trans-72-175.7168.700000111.5K263 D289 L290 T291 L293K263-A287 PolarHBondContact NZ-O 3.46Å; A287-D289 VanDerWaalsContact C-N 3.33Å; A287-D289 WeakPolarHBondContact CB-OD1 3.23Å; A287-D289 PolarHBondContact O-N 3.3Å; A287-L290 PolarHBondContact O-N 2.99Å; A287-T291 PolarHBondContact N-O 3.5Å; A287-L293 HydrophobicContact CB-CD1 4.22Å; A287-L293 HydrophobicContact CB-CD2 4.24Å; A287-L293 HydrophobicContact CB-CG 4.28Å
288E95.3Very high95.5Very high137 Ų13736.7 Ų36.764%0.6419%0.192SC*.THydrogen-bonded Turntrans-64.7-36-179.3-68.1-56.3165.500114K263 Q265 L290K263-E288 IonicContact NZ-OE2 3.8Å; K263-E288 PolarHBondContact NZ-OE2 3.36Å; Q265-E288 PolarHBondContact NE2-OE1 3.22Å; Q265-E288 VanDerWaalsContact NE2-OE1 3.16Å; E288-L290 PolarHBondContact O-N 2.95Å
289D96.2Very high95.6Very high104 Ų10441 Ų4156%0.55620%0.204SC*.THydrogen-bonded Turntrans-831317767.9-10.4000114.2A287 T291A287-D289 VanDerWaalsContact C-N 3.33Å; A287-D289 WeakPolarHBondContact CB-OD1 3.23Å; A287-D289 PolarHBondContact O-N 3.3Å; D289-T291 PolarHBondContact O-N 2.77Å; D289-T291 WeakPolarHBondContact OD1-CB 3.37Å; D289-T291 PolarHBondContact OD1-N 3.4Å; D289-T291 PolarHBondContact OD1-OG1 2.87Å; D289-T291 PolarHBondContact OD2-OG1 2.84Å
290L97.2Very high95.8Very high67 Ų6737.4 Ų37.435%0.35118%0.184SC..  trans65.614.1-174.8-58175.1000115V232 V233 V261 V286 A287 E288 L292V232-L290 WeakPolarHBondContact CA-O 3.16Å; V232-L290 HydrophobicContact CG1-CB 3.83Å; V233-L290 PolarHBondContact N-O 3.06Å; V261-L290 HydrophobicContact CG2-CD2 4.32Å; V286-L290 HydrophobicContact CG2-CD2 3.84Å; A287-L290 PolarHBondContact O-N 2.99Å; E288-L290 PolarHBondContact O-N 2.95Å; L290-L292 PolarHBondContact O-N 3.49Å
291T98.1Very high95.8Very high30 Ų3035.7 Ų35.718%0.18418%0.175CC..BIsolated β-bridgetrans-61.3131.1170.2-64.90000110.3N231 V286 A287 D289 L293N231-T291 HydrophobicContact CB-CG2 4.27Å; N231-T291 WeakPolarHBondContact ND2-CG2 3.12Å; N231-T291 WeakPolarHBondContact O-CA 3.48Å; V286-T291 CarbonylContact C-O 3.58Å; V286-T291 WeakPolarHBondContact CA-O 3.31Å; V286-T291 WeakPolarHBondContact CB-O 3.26Å; A287-T291 PolarHBondContact N-O 3.5Å; D289-T291 PolarHBondContact O-N 2.77Å; D289-T291 WeakPolarHBondContact OD1-CB 3.37Å; D289-T291 PolarHBondContact OD1-N 3.4Å; D289-T291 PolarHBondContact OD1-OG1 2.87Å; D289-T291 PolarHBondContact OD2-OG1 2.84Å; T291-L293 PolarHBondContact O-N 3.42Å
292L98.5Very high95.3Very high1 Ų134.9 Ų34.91%0.00517%0.173CC..EExtended strand (participates in β ladder)trans-66.1124.2178.4-176.467.6000110.7K197 F202 P225 V227 N231 V233 P284 L290 G294K197-L292 HydrophobicContact CB-CD2 3.82Å; K197-L292 HydrophobicContact CB-CG 4Å; K197-L292 HydrophobicContact CD-CD2 4.38Å; K197-L292 HydrophobicContact CD-CG 4.35Å; K197-L292 WeakPolarHBondContact CD-O 3.47Å; F202-L292 HydrophobicContact CB-CD2 3.59Å; F202-L292 HydrophobicContact CD1-CD2 4.21Å; F202-L292 HydrophobicContact CD2-CD2 4.48Å; F202-L292 HydrophobicContact CG-CD2 3.87Å; P225-L292 HydrophobicContact CB-CD1 4.02Å; P225-L292 HydrophobicContact CB-CD2 4.15Å; P225-L292 HydrophobicContact CG-CD1 3.95Å; P225-L292 HydrophobicContact CG-CD2 3.67Å; V227-L292 HydrophobicContact CG1-CB 3.84Å; V227-L292 HydrophobicContact CG1-CD2 3.78Å; V227-L292 HydrophobicContact CG1-CG 4.41Å; N231-L292 PolarHBondContact ND2-O 3.37Å; N231-L292 PolarHBondContact O-N 3.3Å; V233-L292 HydrophobicContact CG2-CB 3.77Å; V233-L292 HydrophobicContact CG2-CD1 3.77Å; V233-L292 HydrophobicContact CG2-CG 4.32Å; P284-L292 HydrophobicContact CB-CD1 4.04Å; L290-L292 PolarHBondContact O-N 3.49Å; L292-G294 VanDerWaalsContact CD1-O 3.28Å; L292-G294 WeakPolarHBondContact CD1-O 3.43Å
293L98.2Very high94.8Very high58 Ų5840.2 Ų40.230%0.30420%0.197SC..EExtended strand (participates in β ladder)trans-100.3-40.6171.5-59.8176.5000111Y194 K197 P264 V285 A287 T291Y194-L293 HydrophobicContact CE2-CB 4.32Å; K197-L293 PolarHBondContact N-O 3.06Å; P264-L293 HydrophobicContact CG-CD1 3.5Å; P264-L293 VanDerWaalsContact CG-CD1 3.5Å; V285-L293 HydrophobicContact CG1-CB 4.48Å; V285-L293 WeakPolarHBondContact O-CB 3.48Å; V285-L293 PolarHBondContact O-N 2.83Å; A287-L293 HydrophobicContact CB-CD1 4.22Å; A287-L293 HydrophobicContact CB-CD2 4.24Å; A287-L293 HydrophobicContact CB-CG 4.28Å; T291-L293 PolarHBondContact O-N 3.42Å
294G98Very high94.2Very high0 Ų043.7 Ų43.70%022%0.216CC..EExtended strand (participates in β ladder)trans175.6-154.1-178.900000112.8Q195 V285 L292Q195-G294 CarbonylContact O-C 3.54Å; Q195-G294 WeakPolarHBondContact O-CA 3.36Å; V285-G294 PolarHBondContact N-O 2.66Å; V285-G294 PolarHBondContact O-N 2.92Å; V285-G294 VanDerWaalsContact O-N 3.17Å; L292-G294 VanDerWaalsContact CD1-O 3.28Å; L292-G294 WeakPolarHBondContact CD1-O 3.43Å
295V98.1Very high93.3Very high0 Ų045.7 Ų45.70%023%0.227CC..EExtended strand (participates in β ladder)trans-141.1138.4-174173.40000110.9Q195 Y200 P225 M282Q195-V295 PolarHBondContact N-O 2.67Å; Q195-V295 PolarHBondContact O-N 2.61Å; Y200-V295 HydrophobicContact CD1-CB 3.66Å; Y200-V295 HydrophobicContact CD1-CG1 3.88Å; Y200-V295 HydrophobicContact CD1-CG2 3.47Å; Y200-V295 VanDerWaalsContact CD1-CG2 3.47Å; Y200-V295 HydrophobicContact CD2-CB 3.94Å; Y200-V295 HydrophobicContact CD2-CG1 3.85Å; Y200-V295 HydrophobicContact CE1-CB 4.05Å; Y200-V295 HydrophobicContact CE1-CG1 3.74Å; Y200-V295 HydrophobicContact CE1-CG2 3.87Å; Y200-V295 HydrophobicContact CE2-CB 4.28Å; Y200-V295 HydrophobicContact CE2-CG1 3.69Å; Y200-V295 HydrophobicContact CG-CB 3.61Å; Y200-V295 HydrophobicContact CG-CG1 3.95Å; Y200-V295 HydrophobicContact CG-CG2 3.93Å; P225-V295 HydrophobicContact CG-CG2 3.85Å; M282-V295 HydrophobicContact CG-CG1 3.21Å; M282-V295 HydrophobicContact SD-CG1 3.53Å; M282-V295 VanDerWaalsContact SD-CG1 3.53Å; M282-V295 HydrophobicContact SD-CG2 4.27Å
296I97Very high91.9Very high0 Ų049.4 Ų49.40%025%0.251CS..EExtended strand (participates in β ladder)trans-114.3129167.6-172.2167.5000110.1V190 V193 A262 L268 I271 M282 L283 V285 Q300 A301V190-I296 HydrophobicContact CG1-CD1 4.24Å; V190-I296 HydrophobicContact CG1-CG2 4.43Å; V190-I296 HydrophobicContact CG2-CD1 4.31Å; V193-I296 HydrophobicContact CG1-CD1 4.45Å; A262-I296 HydrophobicContact CB-CG2 4.22Å; L268-I296 HydrophobicContact CD1-CD1 3.47Å; L268-I296 VanDerWaalsContact CD1-CD1 3.47Å; I271-I296 HydrophobicContact CG2-CD1 4.31Å; I271-I296 HydrophobicContact CG2-CG2 4.26Å; M282-I296 WeakPolarHBondContact CA-O 3.2Å; L283-I296 HydrophobicContact CB-CG2 3.91Å; L283-I296 PolarHBondContact N-O 2.82Å; L283-I296 PolarHBondContact O-N 3.28Å; V285-I296 HydrophobicContact CG2-CB 4.11Å; V285-I296 HydrophobicContact CG2-CG2 3.9Å; I296-Q300 HydrophobicContact CG1-CB 4.48Å; I296-A301 HydrophobicContact CD1-CB 4.01Å; I296-A301 HydrophobicContact CG1-CB 4.3Å
297T94.9Very high90.2Very high20 Ų2055.9 Ų55.912%0.12329%0.285CS..EExtended strand (participates in β ladder)trans-94.4154.8174.465.60000111.2Y200 N281 R299 Q300 A301Y200-T297 HydrophobicContact CE2-CG2 3.79Å; N281-T297 WeakPolarHBondContact O-CA 3.15Å; T297-R299 PolarHBondContact O-N 3.38Å; T297-Q300 VanDerWaalsContact N-OE1 3.1Å; T297-Q300 PolarHBondContact O-N 3.13Å; T297-Q300 VanDerWaalsContact O-N 3.13Å; T297-Q300 VanDerWaalsContact OG1-CG 3.25Å; T297-Q300 WeakPolarHBondContact OG1-CG 3.48Å; T297-Q300 PolarHBondContact OG1-N 3.29Å; T297-Q300 PolarHBondContact OG1-OE1 3Å; T297-A301 PolarHBondContact O-N 3.16Å
298R91.5Very high88.2Confident30 Ų3061.8 Ų61.811%0.11331%0.312CS..Hα-helixtrans-59-38.3178.6-178.6174.2170.2-175.7-2.8111.3M275 D279 L280 N281 A301 V302 N427M275-R298 HydrophobicContact CB-CB 4.46Å; M275-R298 HydrophobicContact CB-CG 4.27Å; M275-R298 HydrophobicContact CE-CB 3.85Å; M275-R298 HydrophobicContact SD-CB 4.34Å; D279-R298 IonicContact OD1-NH1 2.71Å; D279-R298 PolarHBondContact OD1-NH1 3.27Å; D279-R298 VanDerWaalsContact OD1-NH1 3.16Å; L280-R298 WeakPolarHBondContact O-CD 3.24Å; N281-R298 PolarHBondContact O-N 2.86Å; R298-A301 PolarHBondContact O-N 3.44Å; R298-V302 HydrophobicContact CG-CG2 4.38Å; R298-V302 WeakPolarHBondContact O-CB 3.24Å; R298-V302 VanDerWaalsContact O-CG2 3.32Å; R298-V302 WeakPolarHBondContact O-CG2 3.45Å; R298-V302 PolarHBondContact O-N 2.93Å; R298-N427 PolarHBondContact NH2-ND2 2.9Å; R298-N427 PolarHBondContact NH2-OD1 3.07Å
299R88.8Confident86Confident172 Ų17263.1 Ų63.165%0.64932%0.318SS*.Hα-helixtrans-57.8-52.5175.5-176.5-178.969.2160.80.9110.8T297 A301 V302 E303T297-R299 PolarHBondContact O-N 3.38Å; R299-A301 PolarHBondContact O-N 2.93Å; R299-V302 PolarHBondContact O-N 3.48Å; R299-E303 WeakPolarHBondContact CD-OE1 3.42Å; R299-E303 HydrophobicContact CG-CG 4.16Å; R299-E303 WeakPolarHBondContact CG-OE1 3.3Å; R299-E303 WeakPolarHBondContact CG-OE2 3.21Å; R299-E303 WeakPolarHBondContact O-CB 3.45Å; R299-E303 VanDerWaalsContact O-CG 3.31Å; R299-E303 WeakPolarHBondContact O-CG 3.29Å; R299-E303 PolarHBondContact O-N 3.41Å
300Q90.9Very high83.8Confident22 Ų2265 Ų6510%0.10332%0.323CS..Hα-helixtrans-61.2-43.5178.1-71.6170.7-75.400112.4V193 Q195 I296 T297 V302 N304V193-Q300 HydrophobicContact CG1-CB 3.93Å; V193-Q300 PolarHBondContact O-NE2 2.77Å; V193-Q300 VanDerWaalsContact O-NE2 3.16Å; Q195-Q300 VanDerWaalsContact NE2-CD 3.27Å; I296-Q300 HydrophobicContact CG1-CB 4.48Å; T297-Q300 VanDerWaalsContact N-OE1 3.1Å; T297-Q300 PolarHBondContact O-N 3.13Å; T297-Q300 VanDerWaalsContact O-N 3.13Å; T297-Q300 VanDerWaalsContact OG1-CG 3.25Å; T297-Q300 WeakPolarHBondContact OG1-CG 3.48Å; T297-Q300 PolarHBondContact OG1-N 3.29Å; T297-Q300 PolarHBondContact OG1-OE1 3Å; Q300-V302 VanDerWaalsContact C-N 3.3Å; Q300-V302 PolarHBondContact O-N 3.05Å; Q300-N304 WeakPolarHBondContact O-CB 3.46Å; Q300-N304 PolarHBondContact O-N 2.84Å; Q300-N304 VanDerWaalsContact O-N 3.13Å; Q300-N304 PolarHBondContact O-ND2 2.99Å
301A90.9Very high81.6Confident0 Ų064.4 Ų64.40%033%0.325CS..Hα-helixtrans-59.8-42.5178.300000111.7L268 M275 I296 T297 R298 R299 L305L268-A301 HydrophobicContact CD1-CB 4.22Å; L268-A301 WeakPolarHBondContact CD2-O 3.07Å; M275-A301 HydrophobicContact SD-CB 4.02Å; I296-A301 HydrophobicContact CD1-CB 4.01Å; I296-A301 HydrophobicContact CG1-CB 4.3Å; T297-A301 PolarHBondContact O-N 3.16Å; R298-A301 PolarHBondContact O-N 3.44Å; R299-A301 PolarHBondContact O-N 2.93Å; A301-L305 WeakPolarHBondContact O-CG 3.19Å; A301-L305 PolarHBondContact O-N 2.9Å
302V83.8Confident79.4Confident45 Ų4569.3 Ų69.327%0.27335%0.35SS..Hα-helixtrans-72.3-46.8179.3162.70000112.6S272 I276 R298 R299 Q300 N304 L305 N370S272-V302 WeakPolarHBondContact OG-CG2 3.49Å; I276-V302 HydrophobicContact CD1-CG2 4.26Å; R298-V302 HydrophobicContact CG-CG2 4.38Å; R298-V302 WeakPolarHBondContact O-CB 3.24Å; R298-V302 VanDerWaalsContact O-CG2 3.32Å; R298-V302 WeakPolarHBondContact O-CG2 3.45Å; R298-V302 PolarHBondContact O-N 2.93Å; R299-V302 PolarHBondContact O-N 3.48Å; Q300-V302 VanDerWaalsContact C-N 3.3Å; Q300-V302 PolarHBondContact O-N 3.05Å; V302-N304 PolarHBondContact O-N 2.94Å; V302-L305 WeakPolarHBondContact O-CB 3.48Å; V302-L305 PolarHBondContact O-N 2.88Å; V302-N370 WeakPolarHBondContact CG1-ND2 3.45Å; V302-N370 WeakPolarHBondContact CG2-ND2 3.42Å
303E84Confident77.5Confident125 Ų12570.4 Ų70.458%0.58436%0.356SS*.Hα-helixtrans-67.1-24.8-176.7-74171.9173.300113R299R299-E303 WeakPolarHBondContact CD-OE1 3.42Å; R299-E303 HydrophobicContact CG-CG 4.16Å; R299-E303 WeakPolarHBondContact CG-OE1 3.3Å; R299-E303 WeakPolarHBondContact CG-OE2 3.21Å; R299-E303 WeakPolarHBondContact O-CB 3.45Å; R299-E303 VanDerWaalsContact O-CG 3.31Å; R299-E303 WeakPolarHBondContact O-CG 3.29Å; R299-E303 PolarHBondContact O-N 3.41Å
304N84.8Confident76.2Confident77 Ų7775 Ų7541%0.41237%0.37SS..THydrogen-bonded Turntrans-102.19.6179.5-66.1-90000113V193 L268 Q300 V302V193-N304 HydrophobicContact CG1-CB 3.94Å; V193-N304 HydrophobicContact CG2-CB 3.75Å; L268-N304 HydrophobicContact CD2-CB 3.64Å; L268-N304 WeakPolarHBondContact CD2-O 3.28Å; Q300-N304 WeakPolarHBondContact O-CB 3.46Å; Q300-N304 PolarHBondContact O-N 2.84Å; Q300-N304 VanDerWaalsContact O-N 3.13Å; Q300-N304 PolarHBondContact O-ND2 2.99Å; V302-N304 PolarHBondContact O-N 2.94Å
305L78.7Confident75.5Confident43 Ų4376.7 Ų76.723%0.22538%0.381CS..SBendtrans-60.3132.1169.9-78.6164.6000109A269 A301 V302 N307A269-L305 HydrophobicContact CB-CD2 4.05Å; A301-L305 WeakPolarHBondContact O-CG 3.19Å; A301-L305 PolarHBondContact O-N 2.9Å; V302-L305 WeakPolarHBondContact O-CB 3.48Å; V302-L305 PolarHBondContact O-N 2.88Å; L305-N307 PolarHBondContact O-N 3.25Å
306P68.4Low75Confident77 Ų7785.1 Ų85.150%0.541%0.414SS..PPolyproline II helixtrans-58.7133.7172.422.6-30000109.1L308P306-L308 PolarHBondContact O-N 2.84Å
307N62.4Low74.6Confident137 Ų13786.9 Ų86.973%0.73343%0.426SS*.PPolyproline II helixtrans-58.1134.1170.3-79.8-27.4000108.2L305 Q309L305-N307 PolarHBondContact O-N 3.25Å; N307-Q309 PolarHBondContact O-N 3.24Å
308L55.7Low74.1Confident152 Ų15287.9 Ų87.980%0.79643%0.431SS*.  trans-61.215.8177.9-72.5160.8000114.3P306 H310 V360P306-L308 PolarHBondContact O-N 2.84Å; L308-H310 PolarHBondContact O-N 3.44Å; L308-H310 VanDerWaalsContact O-N 3.08Å; L308-V360 HydrophobicContact CD1-CG1 4.13Å
309Q50.2Low73.9Confident165 Ų16590.8 Ų90.877%0.77145%0.446SS*.SBendtrans-68111.6174.1-72.8-172.7-3.900108.5N307 S311N307-Q309 PolarHBondContact O-N 3.24Å; Q309-S311 PolarHBondContact O-N 3.02Å
310H50.5Low74Confident143 Ų14384.5 Ų84.566%0.66242%0.424SS*.  trans-21.292.6177.5-61.4-51.9000112.6L308L308-H310 PolarHBondContact O-N 3.44Å; L308-H310 VanDerWaalsContact O-N 3.08Å
311S49.9Very low74.1Confident55 Ų5584.2 Ų84.239%0.38542%0.424SS..  trans-64.5146.5165.452.10000107.5Q309 L313Q309-S311 PolarHBondContact O-N 3.02Å; S311-L313 PolarHBondContact O-N 3.42Å; S311-L313 VanDerWaalsContact OG-CD1 3.28Å; S311-L313 WeakPolarHBondContact OG-CD1 3.44Å; S311-L313 VanDerWaalsContact OG-CG 3.25Å; S311-L313 WeakPolarHBondContact OG-CG 3.24Å
312N52.9Low74Confident134 Ų13488.5 Ų88.572%0.71745%0.453SS*.SBendtrans-67.429.5172-69.2-34.8000112.5R182 Y314R182-N312 PolarHBondContact NH2-O 3.07Å; N312-Y314 WeakPolarHBondContact O-CD2 3.48Å
313L59Low74.4Confident23 Ų2388.2 Ų88.212%0.1245%0.45CS..  trans-77.1128.5173.8-62.8-177.9000106.7R182 I183 D186 S311 T315 D318R182-L313 HydrophobicContact CG-CD2 3.97Å; I183-L313 HydrophobicContact CB-CD2 4.26Å; I183-L313 HydrophobicContact CG1-CB 4.22Å; I183-L313 HydrophobicContact CG1-CD2 3.75Å; I183-L313 HydrophobicContact CG1-CG 4.42Å; D186-L313 HydrophobicContact CB-CD1 4.2Å; D186-L313 HydrophobicContact CB-CD2 4.02Å; D186-L313 WeakPolarHBondContact OD2-CD2 3.35Å; S311-L313 PolarHBondContact O-N 3.42Å; S311-L313 VanDerWaalsContact OG-CD1 3.28Å; S311-L313 WeakPolarHBondContact OG-CD1 3.44Å; S311-L313 VanDerWaalsContact OG-CG 3.25Å; S311-L313 WeakPolarHBondContact OG-CG 3.24Å; L313-T315 HydrophobicContact CB-CG2 4.1Å; L313-T315 PolarHBondContact O-N 3.37Å; L313-D318 WeakPolarHBondContact O-CB 3.32Å
314Y70.3Confident74.9Confident154 Ų15482.9 Ų82.960%0.60443%0.426SS*.  trans-94.360.7176.5-72.3-93.6000108.1R182 N312R182-Y314 VanDerWaalsContact NH2-CD2 3.34Å; N312-Y314 WeakPolarHBondContact O-CD2 3.48Å
315T83.5Confident75.4Confident37 Ų3783.9 Ų83.923%0.22743%0.428CS..  trans-80.4158.517275.80000109.9I183 L313 S317 D318 Q319I183-T315 HydrophobicContact CD1-CG2 4.13Å; I183-T315 HydrophobicContact CG1-CG2 4.3Å; I183-T315 HydrophobicContact CG2-CG2 4.38Å; L313-T315 HydrophobicContact CB-CG2 4.1Å; L313-T315 PolarHBondContact O-N 3.37Å; T315-S317 PolarHBondContact O-N 3.01Å; T315-S317 PolarHBondContact OG1-N 2.59Å; T315-D318 WeakPolarHBondContact CB-OD2 3.1Å; T315-D318 WeakPolarHBondContact CG2-OD2 3.31Å; T315-D318 PolarHBondContact N-OD2 3.49Å; T315-D318 PolarHBondContact O-N 2.88Å; T315-D318 VanDerWaalsContact O-N 3.13Å; T315-D318 VanDerWaalsContact OG1-CG 3.26Å; T315-D318 PolarHBondContact OG1-N 3.04Å; T315-D318 VanDerWaalsContact OG1-N 3.13Å; T315-D318 PolarHBondContact OG1-OD2 3.21Å; T315-Q319 WeakPolarHBondContact O-CG 3.35Å; T315-Q319 PolarHBondContact O-N 2.99Å
316Y87.6Confident76.1Confident177 Ų17786.8 Ų86.869%0.69444%0.437SS*.Hα-helixtrans-59.7-33.3173.2-66.7-59.4000112.2Q319 I320Y316-Q319 PolarHBondContact O-N 2.96Å; Y316-I320 WeakPolarHBondContact O-CB 3.33Å; Y316-I320 WeakPolarHBondContact O-CD1 2.9Å; Y316-I320 VanDerWaalsContact O-CG1 3.24Å; Y316-I320 WeakPolarHBondContact O-CG1 3.46Å; Y316-I320 PolarHBondContact O-N 3.4Å
317S88Confident77.2Confident37 Ų3787.6 Ų87.626%0.25943%0.434SS..Hα-helixtrans-60.6-48.5173.4170.80000110.8T315 Q319 I320 L321 E353T315-S317 PolarHBondContact O-N 3.01Å; T315-S317 PolarHBondContact OG1-N 2.59Å; S317-Q319 VanDerWaalsContact C-N 3.34Å; S317-Q319 PolarHBondContact O-N 2.83Å; S317-I320 PolarHBondContact O-N 2.97Å; S317-L321 WeakPolarHBondContact O-CB 3.47Å; S317-L321 VanDerWaalsContact O-CG 3.22Å; S317-L321 WeakPolarHBondContact O-CG 3.48Å; S317-L321 PolarHBondContact O-N 3.09Å; S317-E353 WeakPolarHBondContact CB-OE1 3.25Å; S317-E353 PolarHBondContact OG-OE1 3.3Å
318D84.8Confident78.4Confident41 Ų4188.8 Ų88.822%0.21944%0.44CS..Hα-helixtrans-62.3-40.9178.2-61.8-54.8000112.1L313 T315 L321 S322L313-D318 WeakPolarHBondContact O-CB 3.32Å; T315-D318 WeakPolarHBondContact CB-OD2 3.1Å; T315-D318 WeakPolarHBondContact CG2-OD2 3.31Å; T315-D318 PolarHBondContact N-OD2 3.49Å; T315-D318 PolarHBondContact O-N 2.88Å; T315-D318 VanDerWaalsContact O-N 3.13Å; T315-D318 VanDerWaalsContact OG1-CG 3.26Å; T315-D318 PolarHBondContact OG1-N 3.04Å; T315-D318 VanDerWaalsContact OG1-N 3.13Å; T315-D318 PolarHBondContact OG1-OD2 3.21Å; D318-L321 PolarHBondContact O-N 3.5Å; D318-S322 WeakPolarHBondContact O-CB 3.26Å; D318-S322 PolarHBondContact O-N 3.18Å; D318-S322 PolarHBondContact O-OG 3.4Å
319Q87.5Confident79.9Confident91 Ų9183.9 Ų83.943%0.42543%0.427SS..Hα-helixtrans-65.4-40.3176.9-70.5177.3-5.800112.7T315 Y316 S317 S322T315-Q319 WeakPolarHBondContact O-CG 3.35Å; T315-Q319 PolarHBondContact O-N 2.99Å; Y316-Q319 PolarHBondContact O-N 2.96Å; S317-Q319 VanDerWaalsContact C-N 3.34Å; S317-Q319 PolarHBondContact O-N 2.83Å; Q319-S322 PolarHBondContact O-OG 3.34Å
320I91.4Very high81.9Confident39 Ų3977.9 Ų77.920%0.240%0.401CS..Hα-helixtrans-64.9-51.8175.4-71.7163.5000109.1Y316 S317 S322 N323 V350 E353 F354Y316-I320 WeakPolarHBondContact O-CB 3.33Å; Y316-I320 WeakPolarHBondContact O-CD1 2.9Å; Y316-I320 VanDerWaalsContact O-CG1 3.24Å; Y316-I320 WeakPolarHBondContact O-CG1 3.46Å; Y316-I320 PolarHBondContact O-N 3.4Å; S317-I320 PolarHBondContact O-N 2.97Å; I320-S322 VanDerWaalsContact C-N 3.28Å; I320-S322 PolarHBondContact O-N 2.91Å; I320-N323 PolarHBondContact O-N 3.2Å; I320-V350 HydrophobicContact CD1-CG2 4.31Å; I320-V350 HydrophobicContact CG2-CG1 3.88Å; I320-E353 HydrophobicContact CB-CG 4.39Å; I320-E353 HydrophobicContact CG2-CB 4.11Å; I320-E353 HydrophobicContact CG2-CG 4Å; I320-F354 HydrophobicContact CG2-CD1 4.16Å; I320-F354 HydrophobicContact CG2-CE1 3.68Å; I320-F354 HydrophobicContact CG2-CE2 4.28Å; I320-F354 HydrophobicContact CG2-CZ 3.74Å; I320-F354 WeakPolarHBondContact O-CE1 3.45Å; I320-F354 WeakPolarHBondContact O-CZ 3.48Å
321L91.4Very high84.1Confident17 Ų1771.3 Ų71.39%0.08937%0.371CS..Hα-helixtrans-67.8-22.8-174.4-66.1179000113.7S317 D318 N323 L324 E353 F354 D357S317-L321 WeakPolarHBondContact O-CB 3.47Å; S317-L321 VanDerWaalsContact O-CG 3.22Å; S317-L321 WeakPolarHBondContact O-CG 3.48Å; S317-L321 PolarHBondContact O-N 3.09Å; D318-L321 PolarHBondContact O-N 3.5Å; L321-N323 PolarHBondContact O-N 3.26Å; L321-L324 WeakPolarHBondContact O-CB 3.4Å; L321-L324 PolarHBondContact O-N 3.41Å; L321-L324 VanDerWaalsContact O-N 3.07Å; L321-E353 HydrophobicContact CD2-CG 4.08Å; L321-E353 HydrophobicContact CG-CG 4.2Å; L321-F354 HydrophobicContact CD2-CD1 3.85Å; L321-F354 HydrophobicContact CD2-CE1 4.36Å; L321-D357 HydrophobicContact CD1-CB 3.99Å; L321-D357 HydrophobicContact CD2-CB 3.44Å; L321-D357 VanDerWaalsContact CD2-CB 3.44Å; L321-D357 HydrophobicContact CG-CB 4.37Å
322S89.7Confident86.3Confident90 Ų9071.2 Ų71.263%0.62936%0.363SS*.THydrogen-bonded Turntrans-62.7-21.517557.80000113.4D318 Q319 I320 L324D318-S322 WeakPolarHBondContact O-CB 3.26Å; D318-S322 PolarHBondContact O-N 3.18Å; D318-S322 PolarHBondContact O-OG 3.4Å; Q319-S322 PolarHBondContact O-OG 3.34Å; I320-S322 VanDerWaalsContact C-N 3.28Å; I320-S322 PolarHBondContact O-N 2.91Å; S322-L324 VanDerWaalsContact C-N 3.35Å
323N91.9Very high88.4Confident38 Ų3864.9 Ų64.920%0.20333%0.329CS..THydrogen-bonded Turntrans-84.6-9.2177.3-68.7-32.8000113.3I320 L321 Q325 F333 E336 M339 F354I320-N323 PolarHBondContact O-N 3.2Å; L321-N323 PolarHBondContact O-N 3.26Å; N323-Q325 PolarHBondContact O-N 3.13Å; N323-F333 WeakPolarHBondContact O-CB 3.16Å; N323-E336 PolarHBondContact ND2-OE2 3.29Å; N323-M339 HydrophobicContact CB-CE 3.46Å; N323-M339 VanDerWaalsContact CB-CE 3.46Å; N323-M339 WeakPolarHBondContact ND2-CE 3.34Å; N323-F354 HydrophobicContact CB-CZ 4.49Å
324L94.8Very high90.2Very high13 Ų1367.1 Ų67.17%0.06834%0.344CS..  trans-83.9115.6179.6-17167.4000111.5L321 S322 Y331 F333 F354 I358 I392L321-L324 WeakPolarHBondContact O-CB 3.4Å; L321-L324 PolarHBondContact O-N 3.41Å; L321-L324 VanDerWaalsContact O-N 3.07Å; S322-L324 VanDerWaalsContact C-N 3.35Å; L324-Y331 HydrophobicContact CD2-CD1 4.16Å; L324-Y331 HydrophobicContact CG-CD1 4.37Å; L324-F333 HydrophobicContact CD1-CD1 4.42Å; L324-F354 HydrophobicContact CB-CD1 3.84Å; L324-F354 HydrophobicContact CB-CE1 3.75Å; L324-F354 HydrophobicContact CD1-CD1 4Å; L324-F354 HydrophobicContact CD1-CE1 4.4Å; L324-F354 HydrophobicContact CD1-CG 4.36Å; L324-F354 HydrophobicContact CD2-CD1 4.12Å; L324-F354 HydrophobicContact CG-CD1 4.21Å; L324-I358 HydrophobicContact CD1-CD1 4.23Å; L324-I358 HydrophobicContact CD2-CD1 4.04Å; L324-I358 HydrophobicContact CD2-CG1 3.65Å; L324-I392 HydrophobicContact CD1-CD1 4.49Å
325Q94.8Very high91.4Very high98 Ų9859.8 Ų59.846%0.45832%0.315SS..EExtended strand (participates in β ladder)trans-101.6147.3176.5-61.1176.3-0.700110.7N323 Y331 K332N323-Q325 PolarHBondContact O-N 3.13Å; Q325-Y331 CarbonylContact O-C 3.56Å; Q325-Y331 VanDerWaalsContact O-CA 3.3Å; Q325-Y331 WeakPolarHBondContact O-CA 3.47Å; Q325-K332 HydrophobicContact CB-CG 4.07Å; Q325-K332 PolarHBondContact N-O 3.47Å; Q325-K332 PolarHBondContact O-N 3.04Å
326Y94.2Very high92Very high105 Ų10562 Ų6241%0.41232%0.323SS..EExtended strand (participates in β ladder)trans-123.2104.4170.8-176.7-108.3000109.3V330 Y331 K365Y326-V330 WeakPolarHBondContact CA-O 3.43Å; Y326-V330 VanDerWaalsContact CD2-O 3.28Å; Y326-V330 WeakPolarHBondContact CD2-O 3.37Å; Y326-Y331 AromaticContact CD2-CD1 3.57Å; Y326-Y331 HydrophobicContact CD2-CD1 3.57Å; Y326-Y331 AromaticContact CD2-CD2 3.87Å; Y326-Y331 HydrophobicContact CD2-CD2 3.87Å; Y326-Y331 AromaticContact CD2-CE1 3.43Å; Y326-Y331 HydrophobicContact CD2-CE1 3.43Å; Y326-Y331 VanDerWaalsContact CD2-CE1 3.43Å; Y326-Y331 AromaticContact CD2-CE2 3.74Å; Y326-Y331 HydrophobicContact CD2-CE2 3.74Å; Y326-Y331 AromaticContact CD2-CG 3.79Å; Y326-Y331 HydrophobicContact CD2-CG 3.79Å; Y326-Y331 AromaticContact CD2-CZ 3.53Å; Y326-Y331 HydrophobicContact CE2-CD1 4.47Å; Y326-Y331 HydrophobicContact CE2-CD2 4.05Å; Y326-Y331 HydrophobicContact CE2-CE1 4.15Å; Y326-Y331 AromaticContact CE2-CE2 3.68Å; Y326-Y331 HydrophobicContact CE2-CE2 3.68Å; Y326-Y331 HydrophobicContact CE2-CG 4.43Å; Y326-Y331 AromaticContact CE2-CZ 3.75Å; Y326-Y331 HydrophobicContact CG-CD1 4.19Å; Y326-Y331 AromaticContact CG-CE1 3.93Å; Y326-Y331 HydrophobicContact CG-CE1 3.93Å; Y326-K365 VanDerWaalsContact CZ-NZ 3.28Å; Y326-K365 PolarHBondContact OH-NZ 3.35Å; Y326-K365 VanDerWaalsContact OH-NZ 3.12Å
327E90.6Very high92.3Very high93 Ų9358 Ų5844%0.43532%0.319SS..EExtended strand (participates in β ladder)trans-138.1144.9-177-66.1-176.4171.500109.1G329 V330 K332E327-G329 PolarHBondContact O-N 3.46Å; E327-V330 PolarHBondContact N-O 3.29Å; E327-V330 VanDerWaalsContact N-O 3.12Å; E327-V330 VanDerWaalsContact O-CG2 3.27Å; E327-V330 WeakPolarHBondContact O-CG2 3.44Å; E327-V330 PolarHBondContact O-N 3.38Å; E327-V330 VanDerWaalsContact O-O 3.06Å; E327-K332 WeakPolarHBondContact OE2-CE 3.21Å; E327-K332 IonicContact OE2-NZ 2.66Å; E327-K332 PolarHBondContact OE2-NZ 3.04Å
328D87Confident92.5Very high162 Ų16260.7 Ų60.787%0.86634%0.343SS*.THydrogen-bonded Turntrans49.935.3177.5-57.8-35.4000115.1V330D328-V330 VanDerWaalsContact C-N 3.26Å; D328-V330 PolarHBondContact O-N 3.26Å
329G87.2Confident93Very high50 Ų5059 Ų5952%0.51533%0.333SS..THydrogen-bonded Turntrans80.4-0.9176.800000115.1E327E327-G329 PolarHBondContact O-N 3.46Å
330V92.2Very high93.3Very high39 Ų3956.2 Ų56.224%0.23632%0.321CS..EExtended strand (participates in β ladder)trans-117.3153.4179.7-63.40000111.8Y326 E327 D328 V391 R393Y326-V330 WeakPolarHBondContact CA-O 3.43Å; Y326-V330 VanDerWaalsContact CD2-O 3.28Å; Y326-V330 WeakPolarHBondContact CD2-O 3.37Å; E327-V330 PolarHBondContact N-O 3.29Å; E327-V330 VanDerWaalsContact N-O 3.12Å; E327-V330 VanDerWaalsContact O-CG2 3.27Å; E327-V330 WeakPolarHBondContact O-CG2 3.44Å; E327-V330 PolarHBondContact O-N 3.38Å; E327-V330 VanDerWaalsContact O-O 3.06Å; D328-V330 VanDerWaalsContact C-N 3.26Å; D328-V330 PolarHBondContact O-N 3.26Å; V330-V391 HydrophobicContact CB-CG1 3.93Å; V330-V391 HydrophobicContact CG1-CG1 4.24Å; V330-V391 HydrophobicContact CG2-CG1 4.19Å; V330-R393 HydrophobicContact CG1-CG 4.39Å
331Y97.1Very high93.3Very high5 Ų557.2 Ų57.22%0.0233%0.327CS..EExtended strand (participates in β ladder)trans-92.6137.8168.8-63.1-89.1000108.6L324 Q325 Y326 I358 V362 V391 I392 P394L324-Y331 HydrophobicContact CD2-CD1 4.16Å; L324-Y331 HydrophobicContact CG-CD1 4.37Å; Q325-Y331 CarbonylContact O-C 3.56Å; Q325-Y331 VanDerWaalsContact O-CA 3.3Å; Q325-Y331 WeakPolarHBondContact O-CA 3.47Å; Y326-Y331 AromaticContact CD2-CD1 3.57Å; Y326-Y331 HydrophobicContact CD2-CD1 3.57Å; Y326-Y331 AromaticContact CD2-CD2 3.87Å; Y326-Y331 HydrophobicContact CD2-CD2 3.87Å; Y326-Y331 AromaticContact CD2-CE1 3.43Å; Y326-Y331 HydrophobicContact CD2-CE1 3.43Å; Y326-Y331 VanDerWaalsContact CD2-CE1 3.43Å; Y326-Y331 AromaticContact CD2-CE2 3.74Å; Y326-Y331 HydrophobicContact CD2-CE2 3.74Å; Y326-Y331 AromaticContact CD2-CG 3.79Å; Y326-Y331 HydrophobicContact CD2-CG 3.79Å; Y326-Y331 AromaticContact CD2-CZ 3.53Å; Y326-Y331 HydrophobicContact CE2-CD1 4.47Å; Y326-Y331 HydrophobicContact CE2-CD2 4.05Å; Y326-Y331 HydrophobicContact CE2-CE1 4.15Å; Y326-Y331 AromaticContact CE2-CE2 3.68Å; Y326-Y331 HydrophobicContact CE2-CE2 3.68Å; Y326-Y331 HydrophobicContact CE2-CG 4.43Å; Y326-Y331 AromaticContact CE2-CZ 3.75Å; Y326-Y331 HydrophobicContact CG-CD1 4.19Å; Y326-Y331 AromaticContact CG-CE1 3.93Å; Y326-Y331 HydrophobicContact CG-CE1 3.93Å; Y331-I358 HydrophobicContact CD1-CD1 4.18Å; Y331-I358 HydrophobicContact CD1-CG1 3.79Å; Y331-I358 HydrophobicContact CD1-CG2 4.49Å; Y331-I358 HydrophobicContact CD2-CD1 4.23Å; Y331-I358 HydrophobicContact CD2-CG1 4.21Å; Y331-I358 HydrophobicContact CD2-CG2 3.66Å; Y331-I358 HydrophobicContact CE1-CG1 4.1Å; Y331-I358 HydrophobicContact CE1-CG2 4.32Å; Y331-I358 HydrophobicContact CE2-CG1 4.5Å; Y331-I358 HydrophobicContact CE2-CG2 3.46Å; Y331-I358 VanDerWaalsContact CE2-CG2 3.46Å; Y331-I358 HydrophobicContact CG-CD1 3.8Å; Y331-I358 HydrophobicContact CG-CG1 3.85Å; Y331-I358 HydrophobicContact CG-CG2 4.18Å; Y331-V362 HydrophobicContact CE2-CG2 4.24Å; Y331-V391 CarbonylContact O-C 3.4Å; Y331-V391 WeakPolarHBondContact O-CA 3.36Å; Y331-I392 PolarHBondContact N-O 2.92Å; Y331-I392 PolarHBondContact O-N 3.41Å; Y331-P394 HydrophobicContact CD2-CG 4.09Å; Y331-P394 HydrophobicContact CE2-CG 3.88Å
332K97Very high93.3Very high52 Ų5265 Ų6523%0.22637%0.369CS..EExtended strand (participates in β ladder)trans-145.9154.817966.4-178.3-179.2-175.80111.8Q325 E327 L390Q325-K332 HydrophobicContact CB-CG 4.07Å; Q325-K332 PolarHBondContact N-O 3.47Å; Q325-K332 PolarHBondContact O-N 3.04Å; E327-K332 WeakPolarHBondContact OE2-CE 3.21Å; E327-K332 IonicContact OE2-NZ 2.66Å; E327-K332 PolarHBondContact OE2-NZ 3.04Å; K332-L390 WeakPolarHBondContact CA-O 3.42Å; K332-L390 WeakPolarHBondContact CB-O 3.37Å
333F96.7Very high93.3Very high2 Ų264.5 Ų64.51%0.00937%0.37CS..EExtended strand (participates in β ladder)trans-152.7158.6171.268.6-78.8000109.9N323 L324 V335 M339 F346 F354 L390 I392N323-F333 WeakPolarHBondContact O-CB 3.16Å; L324-F333 HydrophobicContact CD1-CD1 4.42Å; F333-V335 HydrophobicContact CE2-CG2 3.9Å; F333-M339 HydrophobicContact CD2-CE 4.33Å; F333-M339 HydrophobicContact CD2-SD 3.9Å; F333-M339 HydrophobicContact CE2-SD 3.98Å; F333-F346 HydrophobicContact CE2-CE1 4.49Å; F333-F346 AromaticContact CE2-CE2 3.82Å; F333-F346 HydrophobicContact CE2-CE2 3.82Å; F333-F346 AromaticContact CE2-CZ 3.65Å; F333-F346 HydrophobicContact CE2-CZ 3.65Å; F333-F346 HydrophobicContact CZ-CE1 4.03Å; F333-F346 HydrophobicContact CZ-CE2 4.14Å; F333-F346 AromaticContact CZ-CZ 3.48Å; F333-F346 HydrophobicContact CZ-CZ 3.48Å; F333-F346 VanDerWaalsContact CZ-CZ 3.48Å; F333-F354 HydrophobicContact CB-CZ 4.45Å; F333-F354 HydrophobicContact CD1-CD2 4.09Å; F333-F354 AromaticContact CD1-CE2 3.96Å; F333-F354 HydrophobicContact CD1-CE2 3.96Å; F333-F354 HydrophobicContact CD2-CD2 4.46Å; F333-F354 AromaticContact CD2-CE2 3.62Å; F333-F354 HydrophobicContact CD2-CE2 3.62Å; F333-F354 HydrophobicContact CD2-CZ 4.12Å; F333-F354 AromaticContact CE1-CD2 3.85Å; F333-F354 HydrophobicContact CE1-CD2 3.85Å; F333-F354 AromaticContact CE1-CE2 3.97Å; F333-F354 HydrophobicContact CE1-CE2 3.97Å; F333-F354 HydrophobicContact CE2-CD2 4.21Å; F333-F354 AromaticContact CE2-CE2 3.6Å; F333-F354 HydrophobicContact CE2-CE2 3.6Å; F333-F354 HydrophobicContact CG-CD2 4.39Å; F333-F354 AromaticContact CG-CE2 3.79Å; F333-F354 HydrophobicContact CG-CE2 3.79Å; F333-F354 HydrophobicContact CG-CZ 4.13Å; F333-F354 AromaticContact CZ-CD2 3.89Å; F333-F354 HydrophobicContact CZ-CD2 3.89Å; F333-F354 AromaticContact CZ-CE2 3.77Å; F333-F354 HydrophobicContact CZ-CE2 3.77Å; F333-L390 HydrophobicContact CD1-CB 4.18Å; F333-L390 HydrophobicContact CE1-CB 3.64Å; F333-L390 HydrophobicContact CE1-CD1 3.99Å; F333-L390 HydrophobicContact CE1-CG 4.41Å; F333-L390 HydrophobicContact CE2-CD1 4.07Å; F333-L390 HydrophobicContact CZ-CB 3.85Å; F333-L390 HydrophobicContact CZ-CD1 3.4Å; F333-L390 HydrophobicContact CZ-CG 4.12Å; F333-L390 PolarHBondContact N-O 2.96Å; F333-L390 VanDerWaalsContact N-O 3.08Å; F333-L390 PolarHBondContact O-N 3.3Å; F333-I392 HydrophobicContact CD1-CD1 4.14Å; F333-I392 HydrophobicContact CE1-CD1 3.77Å; F333-I392 HydrophobicContact CE1-CG1 4.2Å
334V96.8Very high93.1Very high70 Ų7064.6 Ų64.642%0.42438%0.38SS..EExtended strand (participates in β ladder)trans-99.4135.6170.3179.20000107.8E336 D388 C389V334-E336 PolarHBondContact O-N 2.83Å; V334-E336 VanDerWaalsContact O-N 3.13Å; V334-D388 WeakPolarHBondContact CA-O 3.46Å; V334-C389 HydrophobicContact CG2-CB 4.45Å
335V96Very high92.9Very high0 Ų067.4 Ų67.40%040%0.395CS..  trans-72.6105.5178.4-179.40000109.7F333 M339 I340 F346 V384 Q385 D387 D388 L390F333-V335 HydrophobicContact CE2-CG2 3.9Å; V335-M339 HydrophobicContact CG1-CB 4.35Å; V335-I340 HydrophobicContact CG1-CD1 3.69Å; V335-F346 HydrophobicContact CG1-CD2 3.88Å; V335-F346 HydrophobicContact CG2-CD2 4.22Å; V335-F346 HydrophobicContact CG2-CE2 4.46Å; V335-V384 HydrophobicContact CG2-CG1 3.71Å; V335-Q385 WeakPolarHBondContact CB-O 3.41Å; V335-Q385 WeakPolarHBondContact CG1-O 3.45Å; V335-D387 PolarHBondContact O-N 3.22Å; V335-D388 HydrophobicContact CG2-CB 4.43Å; V335-D388 PolarHBondContact N-O 3.3Å; V335-L390 HydrophobicContact CG2-CD1 4.12Å; V335-L390 HydrophobicContact CG2-CG 4.28Å
336E95.1Very high92.9Very high83 Ų8363.3 Ų63.339%0.38838%0.376SS..  trans-84.1157.7177-64-172152.100111.9N323 V334 A338 M339N323-E336 PolarHBondContact ND2-OE2 3.29Å; V334-E336 PolarHBondContact O-N 2.83Å; V334-E336 VanDerWaalsContact O-N 3.13Å; E336-A338 PolarHBondContact O-N 2.88Å; E336-M339 HydrophobicContact CB-CE 4.21Å; E336-M339 HydrophobicContact CB-CG 4.32Å; E336-M339 HydrophobicContact CG-CE 4.17Å; E336-M339 WeakPolarHBondContact O-CB 3.5Å; E336-M339 PolarHBondContact O-N 3.4Å
337P94.1Very high92.9Very high94 Ų9459.2 Ų59.261%0.6136%0.364SS*.G310 helixtrans-52.9-32.5176.7-28.735.3000114.4M339 I340 I386P337-M339 PolarHBondContact O-N 2.99Å; P337-I340 PolarHBondContact O-N 2.82Å; P337-I386 HydrophobicContact CG-CG2 4.16Å
338A92.7Very high93Very high92 Ų9260.4 Ų60.476%0.7637%0.369SS*.G310 helixtrans-70.3-10.2177.900000114E336E336-A338 PolarHBondContact O-N 2.88Å
339M95Very high93.3Very high5 Ų555.1 Ų55.13%0.02535%0.353CS..G310 helixtrans-96.73.4-179.9-56.5-175-173.100113.5N323 F333 V335 E336 P337 F346 A347 V350 F354N323-M339 HydrophobicContact CB-CE 3.46Å; N323-M339 VanDerWaalsContact CB-CE 3.46Å; N323-M339 WeakPolarHBondContact ND2-CE 3.34Å; F333-M339 HydrophobicContact CD2-CE 4.33Å; F333-M339 HydrophobicContact CD2-SD 3.9Å; F333-M339 HydrophobicContact CE2-SD 3.98Å; V335-M339 HydrophobicContact CG1-CB 4.35Å; E336-M339 HydrophobicContact CB-CE 4.21Å; E336-M339 HydrophobicContact CB-CG 4.32Å; E336-M339 HydrophobicContact CG-CE 4.17Å; E336-M339 WeakPolarHBondContact O-CB 3.5Å; E336-M339 PolarHBondContact O-N 3.4Å; P337-M339 PolarHBondContact O-N 2.99Å; M339-F346 HydrophobicContact CB-CD2 4.11Å; M339-F346 HydrophobicContact CB-CE2 3.98Å; M339-F346 HydrophobicContact SD-CE2 4.26Å; M339-A347 WeakPolarHBondContact O-CB 3.47Å; M339-A347 PolarHBondContact O-N 2.97Å; M339-V350 HydrophobicContact CB-CG1 4.14Å; M339-V350 HydrophobicContact CB-CG2 4.22Å; M339-V350 HydrophobicContact CG-CG1 4.01Å; M339-V350 HydrophobicContact SD-CG1 4Å; M339-F354 HydrophobicContact CE-CZ 4.18Å; M339-F354 HydrophobicContact SD-CE2 4.4Å
340I93.2Very high93.7Very high33 Ų3353.3 Ų53.317%0.16933%0.332CS..BIsolated β-bridgetrans-95.4143.8-176.7-58.8-62.4000109.9V335 P337 G344 N345 I386V335-I340 HydrophobicContact CG1-CD1 3.69Å; P337-I340 PolarHBondContact O-N 2.82Å; I340-G344 WeakPolarHBondContact CG2-O 3.47Å; I340-N345 CarbonylContact C-O 3.53Å; I340-N345 WeakPolarHBondContact CA-O 3.28Å; I340-N345 WeakPolarHBondContact CG2-O 3.32Å; I340-I386 HydrophobicContact CD1-CG1 3.73Å; I340-I386 HydrophobicContact CG1-CD1 3.98Å; I340-I386 HydrophobicContact CG1-CG1 3.53Å
341D92.3Very high93.9Very high60 Ų6051.5 Ų51.532%0.32132%0.321SS..  trans-80.3174.8174.471.718.7000112.4A343 G344 N345 A347D341-A343 PolarHBondContact O-N 3.05Å; D341-A343 VanDerWaalsContact OD1-CA 3.31Å; D341-A343 WeakPolarHBondContact OD1-CA 3.46Å; D341-A343 WeakPolarHBondContact OD1-CB 3.35Å; D341-A343 PolarHBondContact OD1-N 2.79Å; D341-G344 PolarHBondContact O-N 3.17Å; D341-G344 PolarHBondContact OD1-N 2.85Å; D341-G344 VanDerWaalsContact OD1-N 3.08Å; D341-N345 PolarHBondContact N-O 3.41Å; D341-N345 PolarHBondContact OD1-N 3.35Å; D341-A347 HydrophobicContact CB-CB 4.2Å
342N91Very high93.8Very high182 Ų18253.9 Ų53.997%0.97334%0.336SS*.THydrogen-bonded Turntrans-64.6-13.3-179.3-65.7-17.4000113.9
343A90.1Very high93.8Very high79 Ų7952.9 Ų52.965%0.65333%0.332SS*.THydrogen-bonded Turntrans-94.80.3176.500000112.7D341D341-A343 PolarHBondContact O-N 3.05Å; D341-A343 VanDerWaalsContact OD1-CA 3.31Å; D341-A343 WeakPolarHBondContact OD1-CA 3.46Å; D341-A343 WeakPolarHBondContact OD1-CB 3.35Å; D341-A343 PolarHBondContact OD1-N 2.79Å
344G87.6Confident93.8Very high40 Ų4052.8 Ų52.841%0.41233%0.332SS..SBendtrans86.48.7-179.600000114.4I340 D341I340-G344 WeakPolarHBondContact CG2-O 3.47Å; D341-G344 PolarHBondContact O-N 3.17Å; D341-G344 PolarHBondContact OD1-N 2.85Å; D341-G344 VanDerWaalsContact OD1-N 3.08Å
345N90.5Very high93.8Very high72 Ų7249.5 Ų49.539%0.38531%0.312SS..SBendtrans-100.1155.8178.8-57.3-69.8000111.9I340 D341 A347I340-N345 CarbonylContact C-O 3.53Å; I340-N345 WeakPolarHBondContact CA-O 3.28Å; I340-N345 WeakPolarHBondContact CG2-O 3.32Å; D341-N345 PolarHBondContact N-O 3.41Å; D341-N345 PolarHBondContact OD1-N 3.35Å; N345-A347 PolarHBondContact O-N 2.9Å; N345-A347 VanDerWaalsContact O-N 3.13Å
346F94.3Very high93.7Very high12 Ų1253.1 Ų53.15%0.05333%0.328CS..BIsolated β-bridgetrans-54.8120.9171.4178-127.7000112F333 V335 M339 Q348 V350 L351 V384 L390F333-F346 HydrophobicContact CE2-CE1 4.49Å; F333-F346 AromaticContact CE2-CE2 3.82Å; F333-F346 HydrophobicContact CE2-CE2 3.82Å; F333-F346 AromaticContact CE2-CZ 3.65Å; F333-F346 HydrophobicContact CE2-CZ 3.65Å; F333-F346 HydrophobicContact CZ-CE1 4.03Å; F333-F346 HydrophobicContact CZ-CE2 4.14Å; F333-F346 AromaticContact CZ-CZ 3.48Å; F333-F346 HydrophobicContact CZ-CZ 3.48Å; F333-F346 VanDerWaalsContact CZ-CZ 3.48Å; V335-F346 HydrophobicContact CG1-CD2 3.88Å; V335-F346 HydrophobicContact CG2-CD2 4.22Å; V335-F346 HydrophobicContact CG2-CE2 4.46Å; M339-F346 HydrophobicContact CB-CD2 4.11Å; M339-F346 HydrophobicContact CB-CE2 3.98Å; M339-F346 HydrophobicContact SD-CE2 4.26Å; F346-Q348 PolarHBondContact O-N 3.32Å; F346-V350 HydrophobicContact CE2-CB 3.94Å; F346-V350 HydrophobicContact CE2-CG1 3.69Å; F346-V350 HydrophobicContact CZ-CB 4.19Å; F346-V350 HydrophobicContact CZ-CG1 3.96Å; F346-L351 HydrophobicContact CE1-CB 3.67Å; F346-L351 HydrophobicContact CE1-CD1 4.27Å; F346-L351 HydrophobicContact CE1-CD2 4.2Å; F346-L351 HydrophobicContact CE1-CG 4.25Å; F346-L351 HydrophobicContact CZ-CB 3.97Å; F346-V384 HydrophobicContact CB-CB 4Å; F346-L390 HydrophobicContact CD1-CD1 4.34Å; F346-L390 HydrophobicContact CE1-CD1 4.06Å
347A94.1Very high93.6Very high19 Ų1950.4 Ų50.416%0.15732%0.316CS..PPolyproline II helixtrans-69.9124.3-171.100000111.2M339 D341 N345 G349 V350M339-A347 WeakPolarHBondContact O-CB 3.47Å; M339-A347 PolarHBondContact O-N 2.97Å; D341-A347 HydrophobicContact CB-CB 4.2Å; N345-A347 PolarHBondContact O-N 2.9Å; N345-A347 VanDerWaalsContact O-N 3.13Å; A347-G349 PolarHBondContact O-N 3.02Å; A347-V350 HydrophobicContact CB-CG2 3.97Å; A347-V350 WeakPolarHBondContact O-CB 3.49Å; A347-V350 PolarHBondContact O-N 3.28Å
348Q92.7Very high93.7Very high117 Ų11746 Ų4655%0.54729%0.287SS..Hα-helixtrans-61.6-31.6-175.6-53.9-173.7-13.500113.4F346 V350 L351 T352 F380F346-Q348 PolarHBondContact O-N 3.32Å; Q348-V350 VanDerWaalsContact C-N 3.31Å; Q348-V350 PolarHBondContact O-N 2.82Å; Q348-L351 PolarHBondContact O-N 3.36Å; Q348-T352 PolarHBondContact O-N 3.4Å; Q348-T352 VanDerWaalsContact O-N 3.09Å; Q348-T352 PolarHBondContact O-OG1 3.43Å; Q348-F380 HydrophobicContact CB-CE1 4.39Å; Q348-F380 HydrophobicContact CB-CE2 3.65Å; Q348-F380 HydrophobicContact CB-CZ 3.43Å; Q348-F380 VanDerWaalsContact CB-CZ 3.43Å; Q348-F380 VanDerWaalsContact CD-CE2 3.42Å; Q348-F380 HydrophobicContact CG-CD2 4.1Å; Q348-F380 HydrophobicContact CG-CE1 4.05Å; Q348-F380 HydrophobicContact CG-CE2 3.4Å; Q348-F380 HydrophobicContact CG-CZ 3.38Å
349G93.9Very high93.7Very high52 Ų5241.6 Ų41.654%0.53625%0.251SS..Hα-helixtrans-64.5-34176.500000113.1A347 T352 E353A347-G349 PolarHBondContact O-N 3.02Å; G349-T352 WeakPolarHBondContact O-CB 3.43Å; G349-T352 PolarHBondContact O-N 3.12Å; G349-E353 PolarHBondContact O-N 2.91Å; G349-E353 VanDerWaalsContact O-N 3.11Å
350V95.1Very high93.5Very high12 Ų1242.7 Ų42.77%0.07326%0.258CS..Hα-helixtrans-65.7-47.2177.6174.70000110.1I320 M339 F346 A347 Q348 T352 E353 F354I320-V350 HydrophobicContact CD1-CG2 4.31Å; I320-V350 HydrophobicContact CG2-CG1 3.88Å; M339-V350 HydrophobicContact CB-CG1 4.14Å; M339-V350 HydrophobicContact CB-CG2 4.22Å; M339-V350 HydrophobicContact CG-CG1 4.01Å; M339-V350 HydrophobicContact SD-CG1 4Å; F346-V350 HydrophobicContact CE2-CB 3.94Å; F346-V350 HydrophobicContact CE2-CG1 3.69Å; F346-V350 HydrophobicContact CZ-CB 4.19Å; F346-V350 HydrophobicContact CZ-CG1 3.96Å; A347-V350 HydrophobicContact CB-CG2 3.97Å; A347-V350 WeakPolarHBondContact O-CB 3.49Å; A347-V350 PolarHBondContact O-N 3.28Å; Q348-V350 VanDerWaalsContact C-N 3.31Å; Q348-V350 PolarHBondContact O-N 2.82Å; V350-T352 VanDerWaalsContact C-N 3.3Å; V350-T352 PolarHBondContact O-N 3.49Å; V350-E353 WeakPolarHBondContact O-CB 3.48Å; V350-E353 PolarHBondContact O-N 3.41Å; V350-F354 HydrophobicContact CG1-CD2 4.07Å; V350-F354 HydrophobicContact CG1-CE2 3.51Å; V350-F354 HydrophobicContact CG1-CZ 4.13Å; V350-F354 WeakPolarHBondContact O-CD2 3.16Å; V350-F354 PolarHBondContact O-N 3.05Å; V350-F354 VanDerWaalsContact O-N 3.16Å
351L95.8Very high93.4Very high1 Ų144.2 Ų44.21%0.00526%0.261CS..Hα-helixtrans-61.9-41.2177.1-171.652.4000112F346 Q348 E353 F354 I355 L378 F380 I392 I410 A418F346-L351 HydrophobicContact CE1-CB 3.67Å; F346-L351 HydrophobicContact CE1-CD1 4.27Å; F346-L351 HydrophobicContact CE1-CD2 4.2Å; F346-L351 HydrophobicContact CE1-CG 4.25Å; F346-L351 HydrophobicContact CZ-CB 3.97Å; Q348-L351 PolarHBondContact O-N 3.36Å; L351-E353 PolarHBondContact O-N 2.95Å; L351-F354 PolarHBondContact O-N 3.25Å; L351-I355 HydrophobicContact CD1-CD1 4.42Å; L351-I355 HydrophobicContact CD1-CG1 4.09Å; L351-I355 HydrophobicContact CG-CG1 4.14Å; L351-I355 WeakPolarHBondContact O-CB 3.28Å; L351-I355 WeakPolarHBondContact O-CG1 3.21Å; L351-I355 PolarHBondContact O-N 3.19Å; L351-L378 HydrophobicContact CB-CD2 4.32Å; L351-L378 HydrophobicContact CD2-CD1 3.86Å; L351-L378 HydrophobicContact CD2-CD2 4.19Å; L351-L378 HydrophobicContact CD2-CG 4.45Å; L351-L378 HydrophobicContact CG-CD1 4.27Å; L351-L378 HydrophobicContact CG-CD2 4.31Å; L351-F380 HydrophobicContact CD2-CE1 3.79Å; L351-F380 HydrophobicContact CD2-CZ 4.18Å; L351-I392 HydrophobicContact CD1-CD1 4.11Å; L351-I410 HydrophobicContact CD1-CG1 4.15Å; L351-I410 HydrophobicContact CD2-CD1 4.47Å; L351-I410 HydrophobicContact CD2-CG1 4.29Å; L351-A418 HydrophobicContact CD2-CB 4Å
352T96.5Very high93.4Very high54 Ų5442.9 Ų42.933%0.33126%0.255SS..Hα-helixtrans-57.6-40.7177.7-59.40000111.4Q348 G349 V350 I355 K356 L376Q348-T352 PolarHBondContact O-N 3.4Å; Q348-T352 VanDerWaalsContact O-N 3.09Å; Q348-T352 PolarHBondContact O-OG1 3.43Å; G349-T352 WeakPolarHBondContact O-CB 3.43Å; G349-T352 PolarHBondContact O-N 3.12Å; V350-T352 VanDerWaalsContact C-N 3.3Å; V350-T352 PolarHBondContact O-N 3.49Å; T352-I355 PolarHBondContact O-N 2.88Å; T352-K356 WeakPolarHBondContact O-CB 3.46Å; T352-K356 PolarHBondContact O-N 3.2Å; T352-L376 HydrophobicContact CG2-CD1 3.99Å; T352-L376 HydrophobicContact CG2-CD2 4.22Å
353E95.8Very high93.3Very high32 Ų3234.6 Ų34.615%0.1521%0.211CC..Hα-helixtrans-65.8-44.5178.4-17358.8-161.300112S317 I320 L321 G349 V350 L351 K356 D357S317-E353 WeakPolarHBondContact CB-OE1 3.25Å; S317-E353 PolarHBondContact OG-OE1 3.3Å; I320-E353 HydrophobicContact CB-CG 4.39Å; I320-E353 HydrophobicContact CG2-CB 4.11Å; I320-E353 HydrophobicContact CG2-CG 4Å; L321-E353 HydrophobicContact CD2-CG 4.08Å; L321-E353 HydrophobicContact CG-CG 4.2Å; G349-E353 PolarHBondContact O-N 2.91Å; G349-E353 VanDerWaalsContact O-N 3.11Å; V350-E353 WeakPolarHBondContact O-CB 3.48Å; V350-E353 PolarHBondContact O-N 3.41Å; L351-E353 PolarHBondContact O-N 2.95Å; E353-K356 PolarHBondContact O-N 2.97Å; E353-K356 WeakPolarHBondContact OE1-CE 3.47Å; E353-K356 IonicContact OE1-NZ 2.86Å; E353-K356 PolarHBondContact OE1-NZ 3.39Å; E353-K356 WeakPolarHBondContact OE2-CE 3.4Å; E353-K356 IonicContact OE2-NZ 2.76Å; E353-K356 PolarHBondContact OE2-NZ 2.99Å; E353-D357 PolarHBondContact O-N 3.26Å
354F96.3Very high93Very high0 Ų033.3 Ų33.30%020%0.195CC..Hα-helixtrans-60.7-47.2173.1-67.8-45000112.4I320 L321 N323 L324 F333 M339 V350 L351 K356 D357 I358 I392I320-F354 HydrophobicContact CG2-CD1 4.16Å; I320-F354 HydrophobicContact CG2-CE1 3.68Å; I320-F354 HydrophobicContact CG2-CE2 4.28Å; I320-F354 HydrophobicContact CG2-CZ 3.74Å; I320-F354 WeakPolarHBondContact O-CE1 3.45Å; I320-F354 WeakPolarHBondContact O-CZ 3.48Å; L321-F354 HydrophobicContact CD2-CD1 3.85Å; L321-F354 HydrophobicContact CD2-CE1 4.36Å; N323-F354 HydrophobicContact CB-CZ 4.49Å; L324-F354 HydrophobicContact CB-CD1 3.84Å; L324-F354 HydrophobicContact CB-CE1 3.75Å; L324-F354 HydrophobicContact CD1-CD1 4Å; L324-F354 HydrophobicContact CD1-CE1 4.4Å; L324-F354 HydrophobicContact CD1-CG 4.36Å; L324-F354 HydrophobicContact CD2-CD1 4.12Å; L324-F354 HydrophobicContact CG-CD1 4.21Å; F333-F354 HydrophobicContact CB-CZ 4.45Å; F333-F354 HydrophobicContact CD1-CD2 4.09Å; F333-F354 AromaticContact CD1-CE2 3.96Å; F333-F354 HydrophobicContact CD1-CE2 3.96Å; F333-F354 HydrophobicContact CD2-CD2 4.46Å; F333-F354 AromaticContact CD2-CE2 3.62Å; F333-F354 HydrophobicContact CD2-CE2 3.62Å; F333-F354 HydrophobicContact CD2-CZ 4.12Å; F333-F354 AromaticContact CE1-CD2 3.85Å; F333-F354 HydrophobicContact CE1-CD2 3.85Å; F333-F354 AromaticContact CE1-CE2 3.97Å; F333-F354 HydrophobicContact CE1-CE2 3.97Å; F333-F354 HydrophobicContact CE2-CD2 4.21Å; F333-F354 AromaticContact CE2-CE2 3.6Å; F333-F354 HydrophobicContact CE2-CE2 3.6Å; F333-F354 HydrophobicContact CG-CD2 4.39Å; F333-F354 AromaticContact CG-CE2 3.79Å; F333-F354 HydrophobicContact CG-CE2 3.79Å; F333-F354 HydrophobicContact CG-CZ 4.13Å; F333-F354 AromaticContact CZ-CD2 3.89Å; F333-F354 HydrophobicContact CZ-CD2 3.89Å; F333-F354 AromaticContact CZ-CE2 3.77Å; F333-F354 HydrophobicContact CZ-CE2 3.77Å; M339-F354 HydrophobicContact CE-CZ 4.18Å; M339-F354 HydrophobicContact SD-CE2 4.4Å; V350-F354 HydrophobicContact CG1-CD2 4.07Å; V350-F354 HydrophobicContact CG1-CE2 3.51Å; V350-F354 HydrophobicContact CG1-CZ 4.13Å; V350-F354 WeakPolarHBondContact O-CD2 3.16Å; V350-F354 PolarHBondContact O-N 3.05Å; V350-F354 VanDerWaalsContact O-N 3.16Å; L351-F354 PolarHBondContact O-N 3.25Å; F354-K356 VanDerWaalsContact C-N 3.31Å; F354-K356 PolarHBondContact O-N 2.78Å; F354-D357 PolarHBondContact O-N 3.16Å; F354-I358 WeakPolarHBondContact O-CB 3.48Å; F354-I358 WeakPolarHBondContact O-CG1 3.11Å; F354-I358 PolarHBondContact O-N 2.9Å; F354-I392 HydrophobicContact CB-CD1 4.03Å
355I97.1Very high92.5Very high0 Ų037.7 Ų37.70%020%0.203CC..Hα-helixtrans-62.2-41-179.3-65.7-67.5000110.9L351 T352 S359 L376 I392 F408 I410 A420 V422L351-I355 HydrophobicContact CD1-CD1 4.42Å; L351-I355 HydrophobicContact CD1-CG1 4.09Å; L351-I355 HydrophobicContact CG-CG1 4.14Å; L351-I355 WeakPolarHBondContact O-CB 3.28Å; L351-I355 WeakPolarHBondContact O-CG1 3.21Å; L351-I355 PolarHBondContact O-N 3.19Å; T352-I355 PolarHBondContact O-N 2.88Å; I355-S359 VanDerWaalsContact O-CB 3.31Å; I355-S359 WeakPolarHBondContact O-CB 3.45Å; I355-S359 PolarHBondContact O-N 3Å; I355-S359 PolarHBondContact O-OG 2.7Å; I355-L376 HydrophobicContact CB-CD1 4.21Å; I355-L376 HydrophobicContact CG2-CD1 3.71Å; I355-L376 HydrophobicContact CG2-CG 4.43Å; I355-I392 HydrophobicContact CD1-CG2 3.91Å; I355-F408 HydrophobicContact CD1-CB 3.78Å; I355-F408 HydrophobicContact CD1-CD1 3.36Å; I355-F408 HydrophobicContact CD1-CD2 4.35Å; I355-F408 HydrophobicContact CD1-CE1 3.93Å; I355-F408 HydrophobicContact CD1-CG 3.6Å; I355-F408 HydrophobicContact CG2-CD1 4.44Å; I355-F408 HydrophobicContact CG2-CD2 3.96Å; I355-F408 HydrophobicContact CG2-CE1 4.32Å; I355-F408 HydrophobicContact CG2-CE2 3.87Å; I355-F408 HydrophobicContact CG2-CG 4.25Å; I355-F408 HydrophobicContact CG2-CZ 4.07Å; I355-I410 HydrophobicContact CD1-CD1 4.14Å; I355-I410 HydrophobicContact CD1-CG1 4.38Å; I355-A420 HydrophobicContact CD1-CB 4.23Å; I355-A420 HydrophobicContact CG1-CB 4.31Å; I355-A420 HydrophobicContact CG2-CB 4.1Å; I355-V422 HydrophobicContact CG2-CG2 3.47Å; I355-V422 VanDerWaalsContact CG2-CG2 3.47Å
356K94.8Very high91.4Very high77 Ų7740.7 Ų40.734%0.33521%0.212SC..Hα-helixtrans-59-51.9174-178.6-158.674.1-1710111.1T352 E353 F354 S359 V360 I373T352-K356 WeakPolarHBondContact O-CB 3.46Å; T352-K356 PolarHBondContact O-N 3.2Å; E353-K356 PolarHBondContact O-N 2.97Å; E353-K356 WeakPolarHBondContact OE1-CE 3.47Å; E353-K356 IonicContact OE1-NZ 2.86Å; E353-K356 PolarHBondContact OE1-NZ 3.39Å; E353-K356 WeakPolarHBondContact OE2-CE 3.4Å; E353-K356 IonicContact OE2-NZ 2.76Å; E353-K356 PolarHBondContact OE2-NZ 2.99Å; F354-K356 VanDerWaalsContact C-N 3.31Å; F354-K356 PolarHBondContact O-N 2.78Å; K356-S359 WeakPolarHBondContact O-CB 3.5Å; K356-S359 PolarHBondContact O-N 3.19Å; K356-V360 WeakPolarHBondContact O-CG2 3.37Å; K356-V360 PolarHBondContact O-N 2.95Å; K356-V360 VanDerWaalsContact O-N 3.12Å; K356-I373 HydrophobicContact CG-CG1 4.07Å
357D93.2Very high89.8Confident26 Ų2643.3 Ų43.314%0.13923%0.225CC..Hα-helixtrans-64-45.2-178.417962.2000112.1L321 E353 F354 S359 V360 R361L321-D357 HydrophobicContact CD1-CB 3.99Å; L321-D357 HydrophobicContact CD2-CB 3.44Å; L321-D357 VanDerWaalsContact CD2-CB 3.44Å; L321-D357 HydrophobicContact CG-CB 4.37Å; E353-D357 PolarHBondContact O-N 3.26Å; F354-D357 PolarHBondContact O-N 3.16Å; D357-S359 VanDerWaalsContact C-N 3.31Å; D357-S359 PolarHBondContact O-N 3.37Å; D357-V360 PolarHBondContact O-N 3.18Å; D357-V360 VanDerWaalsContact O-N 3.15Å; D357-R361 WeakPolarHBondContact O-CG 3.35Å; D357-R361 PolarHBondContact O-N 2.72Å; D357-R361 IonicContact OD1-NE 2.71Å; D357-R361 PolarHBondContact OD1-NE 2.82Å; D357-R361 IonicContact OD1-NH2 2.72Å; D357-R361 IonicContact OD2-CZ 3.45Å; D357-R361 IonicContact OD2-NE 3.76Å; D357-R361 PolarHBondContact OD2-NE 2.84Å; D357-R361 IonicContact OD2-NH2 3Å; D357-R361 PolarHBondContact OD2-NH2 2.82Å
358I95.2Very high88.5Confident0 Ų052.2 Ų52.20%026%0.263CS..Hα-helixtrans-61.2-41.2175.6-63.5165.2000110.8L324 Y331 F354 V360 R361 V362 I392 P394 F408L324-I358 HydrophobicContact CD1-CD1 4.23Å; L324-I358 HydrophobicContact CD2-CD1 4.04Å; L324-I358 HydrophobicContact CD2-CG1 3.65Å; Y331-I358 HydrophobicContact CD1-CD1 4.18Å; Y331-I358 HydrophobicContact CD1-CG1 3.79Å; Y331-I358 HydrophobicContact CD1-CG2 4.49Å; Y331-I358 HydrophobicContact CD2-CD1 4.23Å; Y331-I358 HydrophobicContact CD2-CG1 4.21Å; Y331-I358 HydrophobicContact CD2-CG2 3.66Å; Y331-I358 HydrophobicContact CE1-CG1 4.1Å; Y331-I358 HydrophobicContact CE1-CG2 4.32Å; Y331-I358 HydrophobicContact CE2-CG1 4.5Å; Y331-I358 HydrophobicContact CE2-CG2 3.46Å; Y331-I358 VanDerWaalsContact CE2-CG2 3.46Å; Y331-I358 HydrophobicContact CG-CD1 3.8Å; Y331-I358 HydrophobicContact CG-CG1 3.85Å; Y331-I358 HydrophobicContact CG-CG2 4.18Å; F354-I358 WeakPolarHBondContact O-CB 3.48Å; F354-I358 WeakPolarHBondContact O-CG1 3.11Å; F354-I358 PolarHBondContact O-N 2.9Å; I358-V360 VanDerWaalsContact C-N 3.28Å; I358-V360 PolarHBondContact O-N 2.87Å; I358-R361 PolarHBondContact O-N 2.98Å; I358-V362 HydrophobicContact CG2-CG2 3.81Å; I358-V362 WeakPolarHBondContact O-CB 3.35Å; I358-V362 WeakPolarHBondContact O-CG2 3.47Å; I358-V362 PolarHBondContact O-N 3.34Å; I358-I392 HydrophobicContact CD1-CB 3.93Å; I358-I392 HydrophobicContact CD1-CD1 3.64Å; I358-I392 HydrophobicContact CD1-CG1 4.4Å; I358-I392 HydrophobicContact CD1-CG2 3.65Å; I358-P394 HydrophobicContact CG2-CB 4.12Å; I358-P394 HydrophobicContact CG2-CG 3.86Å; I358-F408 HydrophobicContact CB-CE1 3.89Å; I358-F408 HydrophobicContact CB-CZ 4.43Å; I358-F408 HydrophobicContact CG2-CE1 3.57Å; I358-F408 HydrophobicContact CG2-CZ 4.21Å
359S94.2Very high87.3Confident0 Ų049.6 Ų49.60%025%0.25CC..Hα-helixtrans-56.5-45.1176-61.90000111.2I355 K356 D357 L363 F408I355-S359 VanDerWaalsContact O-CB 3.31Å; I355-S359 WeakPolarHBondContact O-CB 3.45Å; I355-S359 PolarHBondContact O-N 3Å; I355-S359 PolarHBondContact O-OG 2.7Å; K356-S359 WeakPolarHBondContact O-CB 3.5Å; K356-S359 PolarHBondContact O-N 3.19Å; D357-S359 VanDerWaalsContact C-N 3.31Å; D357-S359 PolarHBondContact O-N 3.37Å; S359-L363 WeakPolarHBondContact O-CG 3.13Å; S359-L363 PolarHBondContact O-N 3.25Å; S359-L363 VanDerWaalsContact O-N 3.16Å; S359-F408 WeakPolarHBondContact OG-CE2 3.31Å; S359-F408 WeakPolarHBondContact OG-CZ 3.29Å
360V89.9Confident86.4Confident29 Ų2949.5 Ų49.518%0.17624%0.237CC..Hα-helixtrans-64.2-48.1176.5176.30000110.7L308 K356 D357 I358 V362 L363 T364 I371L308-V360 HydrophobicContact CD1-CG1 4.13Å; K356-V360 WeakPolarHBondContact O-CG2 3.37Å; K356-V360 PolarHBondContact O-N 2.95Å; K356-V360 VanDerWaalsContact O-N 3.12Å; D357-V360 PolarHBondContact O-N 3.18Å; D357-V360 VanDerWaalsContact O-N 3.15Å; I358-V360 VanDerWaalsContact C-N 3.28Å; I358-V360 PolarHBondContact O-N 2.87Å; V360-V362 PolarHBondContact O-N 3.1Å; V360-L363 PolarHBondContact O-N 2.89Å; V360-T364 HydrophobicContact CG1-CG2 4.04Å; V360-T364 WeakPolarHBondContact O-CB 3.45Å; V360-T364 VanDerWaalsContact O-CG2 3.31Å; V360-T364 WeakPolarHBondContact O-CG2 3.23Å; V360-T364 PolarHBondContact O-N 3.45Å; V360-T364 PolarHBondContact O-OG1 2.66Å; V360-I371 HydrophobicContact CG1-CD1 4.32Å; V360-I371 HydrophobicContact CG2-CB 4.49Å; V360-I371 HydrophobicContact CG2-CG2 4.31Å
361R90.9Very high85.9Confident64 Ų6450.2 Ų50.224%0.24224%0.24CC..Hα-helixtrans-60.6-42.7179-67.7-178.8-167.5-15910.7112.8D357 I358 T364 K365D357-R361 WeakPolarHBondContact O-CG 3.35Å; D357-R361 PolarHBondContact O-N 2.72Å; D357-R361 IonicContact OD1-NE 2.71Å; D357-R361 PolarHBondContact OD1-NE 2.82Å; D357-R361 IonicContact OD1-NH2 2.72Å; D357-R361 IonicContact OD2-CZ 3.45Å; D357-R361 IonicContact OD2-NE 3.76Å; D357-R361 PolarHBondContact OD2-NE 2.84Å; D357-R361 IonicContact OD2-NH2 3Å; D357-R361 PolarHBondContact OD2-NH2 2.82Å; I358-R361 PolarHBondContact O-N 2.98Å; R361-T364 WeakPolarHBondContact CA-OG1 3.28Å; R361-T364 PolarHBondContact O-OG1 2.84Å; R361-K365 WeakPolarHBondContact O-CG 3.5Å; R361-K365 PolarHBondContact O-N 3.07Å
362V91.6Very high85.4Confident32 Ų3251.1 Ų51.119%0.19425%0.245CC..Hα-helixtrans-64.4-45-179.4168.30000111.1Y331 I358 V360 P394 V396Y331-V362 HydrophobicContact CE2-CG2 4.24Å; I358-V362 HydrophobicContact CG2-CG2 3.81Å; I358-V362 WeakPolarHBondContact O-CB 3.35Å; I358-V362 WeakPolarHBondContact O-CG2 3.47Å; I358-V362 PolarHBondContact O-N 3.34Å; V360-V362 PolarHBondContact O-N 3.1Å; V362-P394 HydrophobicContact CG2-CB 3.86Å; V362-P394 HydrophobicContact CG2-CG 3.58Å; V362-V396 HydrophobicContact CG1-CG2 3.71Å
363L89.5Confident85.1Confident8 Ų850.8 Ų50.84%0.04224%0.241CC..Hα-helixtrans-78-34-178.3-65.8174.3000112.7S359 V360 H367 I371 S404 I406 T424 I426S359-L363 WeakPolarHBondContact O-CG 3.13Å; S359-L363 PolarHBondContact O-N 3.25Å; S359-L363 VanDerWaalsContact O-N 3.16Å; V360-L363 PolarHBondContact O-N 2.89Å; L363-H367 PolarHBondContact O-N 3.37Å; L363-I371 HydrophobicContact CB-CD1 3.42Å; L363-I371 VanDerWaalsContact CB-CD1 3.42Å; L363-I371 HydrophobicContact CB-CG1 3.87Å; L363-I371 HydrophobicContact CD1-CD1 4.36Å; L363-I371 HydrophobicContact CD1-CG1 4.03Å; L363-I371 HydrophobicContact CD1-CG2 3.7Å; L363-S404 VanDerWaalsContact CD1-OG 3.3Å; L363-S404 WeakPolarHBondContact CD1-OG 3.32Å; L363-S404 WeakPolarHBondContact CD2-OG 3.48Å; L363-I406 HydrophobicContact CD1-CD1 3.86Å; L363-I406 HydrophobicContact CD2-CD1 4.11Å; L363-I406 HydrophobicContact CG-CD1 3.77Å; L363-T424 HydrophobicContact CD1-CG2 3.81Å; L363-I426 HydrophobicContact CD2-CD1 4.47Å
364T84Confident84.8Confident53 Ų5353.7 Ų53.733%0.32525%0.254SS..Hα-helixtrans-71.6-27.4178.749.60000113.8V360 R361 K366 H367 I371V360-T364 HydrophobicContact CG1-CG2 4.04Å; V360-T364 WeakPolarHBondContact O-CB 3.45Å; V360-T364 VanDerWaalsContact O-CG2 3.31Å; V360-T364 WeakPolarHBondContact O-CG2 3.23Å; V360-T364 PolarHBondContact O-N 3.45Å; V360-T364 PolarHBondContact O-OG1 2.66Å; R361-T364 WeakPolarHBondContact CA-OG1 3.28Å; R361-T364 PolarHBondContact O-OG1 2.84Å; T364-K366 PolarHBondContact O-N 2.87Å; T364-K366 VanDerWaalsContact O-N 3.08Å; T364-H367 VanDerWaalsContact CA-O 3.3Å; T364-H367 WeakPolarHBondContact CA-O 3.45Å; T364-H367 CarbonylContact O-C 3.56Å; T364-H367 PolarHBondContact O-N 2.97Å; T364-I371 HydrophobicContact CG2-CD1 3.37Å
365K78Confident84.8Confident132 Ų13258.6 Ų58.657%0.57428%0.277SS*.THydrogen-bonded Turntrans-53.4-30.9176-88.7178.7180-179.40113.1Y326 R361Y326-K365 VanDerWaalsContact CZ-NZ 3.28Å; Y326-K365 PolarHBondContact OH-NZ 3.35Å; Y326-K365 VanDerWaalsContact OH-NZ 3.12Å; R361-K365 WeakPolarHBondContact O-CG 3.5Å; R361-K365 PolarHBondContact O-N 3.07Å
366K65.9Low84.8Confident134 Ų13460.9 Ų60.958%0.58329%0.289SS*.THydrogen-bonded Turntrans-97.5-32.4-178-165.8178.9171.8-1770112.9T364 E399T364-K366 PolarHBondContact O-N 2.87Å; T364-K366 VanDerWaalsContact O-N 3.08Å; K366-E399 IonicContact NZ-OE1 2.84Å; K366-E399 IonicContact NZ-OE2 3.16Å; K366-E399 PolarHBondContact NZ-OE2 2.88Å
367H62.3Low84.9Confident68 Ų6860.8 Ų60.832%0.31529%0.291SS..  trans-145127.7-173.4-63.5-56.5000110.7L363 T364 K369 E399L363-H367 PolarHBondContact O-N 3.37Å; T364-H367 VanDerWaalsContact CA-O 3.3Å; T364-H367 WeakPolarHBondContact CA-O 3.45Å; T364-H367 CarbonylContact O-C 3.56Å; T364-H367 PolarHBondContact O-N 2.97Å; H367-K369 HydrophobicContact CB-CB 4.27Å; H367-K369 HydrophobicContact CB-CD 3.82Å; H367-K369 HydrophobicContact CB-CG 3.82Å; H367-K369 PolarHBondContact O-N 2.9Å; H367-E399 IonicContact CD2-OE1 2.66Å; H367-E399 PolarHBondContact CD2-OE1 3.27Å; H367-E399 VanDerWaalsContact CD2-OE1 3.3Å; H367-E399 IonicContact NE2-OE1 3.3Å
368Q65.8Low85Confident206 Ų20661.4 Ų61.496%0.96329%0.294SS*.  trans-72.466.4169.6-70.8-177.7-7.500110.3
369K68.2Low85Confident61 Ų6167.3 Ų67.327%0.26532%0.317SS..  trans-117151-176.4-74.2-176.9-167.6174.50110.1H367 I371 I426 N427H367-K369 HydrophobicContact CB-CB 4.27Å; H367-K369 HydrophobicContact CB-CD 3.82Å; H367-K369 HydrophobicContact CB-CG 3.82Å; H367-K369 PolarHBondContact O-N 2.9Å; K369-I371 PolarHBondContact O-N 2.78Å; K369-I426 HydrophobicContact CB-CG2 3.75Å; K369-I426 HydrophobicContact CD-CG2 3.27Å; K369-I426 HydrophobicContact CG-CG2 4.16Å; K369-N427 WeakPolarHBondContact CA-O 3.46Å; K369-N427 VanDerWaalsContact CB-O 3.26Å; K369-N427 WeakPolarHBondContact CB-O 3.2Å; K369-N427 WeakPolarHBondContact CG-O 3.32Å
370N75.1Confident85Confident50 Ų5070.9 Ų70.927%0.26733%0.333SS..  trans-75.9125173.5-76.3-14.5000108.9V302 N427V302-N370 WeakPolarHBondContact CG1-ND2 3.45Å; V302-N370 WeakPolarHBondContact CG2-ND2 3.42Å; N370-N427 PolarHBondContact N-O 2.86Å; N370-N427 VanDerWaalsContact N-O 3.11Å; N370-N427 PolarHBondContact O-N 2.94Å; N370-N427 VanDerWaalsContact O-N 3.09Å
371I83.7Confident85.2Confident28 Ų2874.4 Ų74.414%0.14435%0.349CS..EExtended strand (participates in β ladder)trans-109124.7-179.4-65.4139.1000107.8V360 L363 T364 K369 I373 T424V360-I371 HydrophobicContact CG1-CD1 4.32Å; V360-I371 HydrophobicContact CG2-CB 4.49Å; V360-I371 HydrophobicContact CG2-CG2 4.31Å; L363-I371 HydrophobicContact CB-CD1 3.42Å; L363-I371 VanDerWaalsContact CB-CD1 3.42Å; L363-I371 HydrophobicContact CB-CG1 3.87Å; L363-I371 HydrophobicContact CD1-CD1 4.36Å; L363-I371 HydrophobicContact CD1-CG1 4.03Å; L363-I371 HydrophobicContact CD1-CG2 3.7Å; T364-I371 HydrophobicContact CG2-CD1 3.37Å; K369-I371 PolarHBondContact O-N 2.78Å; I371-I373 HydrophobicContact CG2-CD1 4.34Å; I371-T424 HydrophobicContact CG2-CG2 4.04Å
372I85.2Confident85.2Confident19 Ų1976.2 Ų76.210%0.09736%0.361CS..EExtended strand (participates in β ladder)trans-115.5128.2172.2-60.6-177.4000107.6Q273 I276 E374 T424 K425Q273-I372 HydrophobicContact CG-CD1 4.24Å; I276-I372 HydrophobicContact CB-CD1 3.52Å; I276-I372 HydrophobicContact CD1-CD1 3.76Å; I276-I372 HydrophobicContact CG1-CD1 4.23Å; I276-I372 HydrophobicContact CG2-CD1 3.24Å; I276-I372 HydrophobicContact CG2-CG1 4.41Å; I372-E374 PolarHBondContact O-N 2.94Å; I372-T424 CarbonylContact O-C 3.6Å; I372-T424 WeakPolarHBondContact O-CA 3.45Å; I372-T424 WeakPolarHBondContact O-CB 3.5Å; I372-K425 HydrophobicContact CB-CB 4.45Å; I372-K425 PolarHBondContact N-O 3.06Å; I372-K425 PolarHBondContact O-N 2.74Å
373I90.5Very high85.2Confident48 Ų4877.9 Ų77.925%0.24638%0.377CS..EExtended strand (participates in β ladder)trans-73.9115.6170.4-51.7-50.9000107.8K356 I371 L376 V422 T424K356-I373 HydrophobicContact CG-CG1 4.07Å; I371-I373 HydrophobicContact CG2-CD1 4.34Å; I373-L376 HydrophobicContact CG2-CB 4.24Å; I373-V422 HydrophobicContact CD1-CG1 3.77Å; I373-V422 HydrophobicContact CG2-CG1 3.96Å; I373-T424 HydrophobicContact CD1-CG2 3.66Å
374E90.7Very high85.4Confident92 Ų9277.9 Ų77.943%0.4338%0.378SS..EExtended strand (participates in β ladder)trans-86.5-38.9175.3-69.4-175.4137.700110.8I372 T423 K425I372-E374 PolarHBondContact O-N 2.94Å; E374-T423 PolarHBondContact N-O 3.17Å; E374-K425 HydrophobicContact CG-CB 3.9Å
375Q95Very high85.8Confident104 Ų10480.3 Ų80.349%0.48639%0.385SS..EExtended strand (participates in β ladder)trans-149.3140-179.5-171.1178.56.600109.9M377 V422 T423Q375-M377 HydrophobicContact CG-CG 4.25Å; Q375-M377 PolarHBondContact NE2-SD 3.19Å; Q375-V422 WeakPolarHBondContact O-CA 3.38Å; Q375-T423 PolarHBondContact N-O 2.91Å; Q375-T423 PolarHBondContact O-N 3Å
376L96.9Very high86.6Confident48 Ų4877.4 Ų77.425%0.25138%0.376SS..EExtended strand (participates in β ladder)trans-130.8123.6169-177155.1000107.5T352 I355 I373 L378 L421 V422T352-L376 HydrophobicContact CG2-CD1 3.99Å; T352-L376 HydrophobicContact CG2-CD2 4.22Å; I355-L376 HydrophobicContact CB-CD1 4.21Å; I355-L376 HydrophobicContact CG2-CD1 3.71Å; I355-L376 HydrophobicContact CG2-CG 4.43Å; I373-L376 HydrophobicContact CG2-CB 4.24Å; L376-L378 HydrophobicContact CD2-CB 4.03Å; L376-L421 WeakPolarHBondContact CA-O 3.39Å; L376-V422 HydrophobicContact CD1-CG2 4.12Å; L376-V422 HydrophobicContact CG-CG2 4.07Å
377M96.9Very high88Confident74 Ų7477.1 Ų77.137%0.36538%0.381SS..EExtended strand (participates in β ladder)trans-112.7129.8172.4-62.5-173.674.500108.4Q375 Y379 A420 L421Q375-M377 HydrophobicContact CG-CG 4.25Å; Q375-M377 PolarHBondContact NE2-SD 3.19Å; M377-Y379 HydrophobicContact CB-CE2 4.11Å; M377-Y379 VanDerWaalsContact CE-OH 3.26Å; M377-Y379 WeakPolarHBondContact CE-OH 3.3Å; M377-A420 CarbonylContact O-C 3.5Å; M377-A420 WeakPolarHBondContact O-CA 3.41Å; M377-L421 PolarHBondContact N-O 3.48Å; M377-L421 PolarHBondContact O-N 3.09Å
378L96.1Very high89.6Confident39 Ų3975.8 Ų75.820%0.20438%0.376CS..EExtended strand (participates in β ladder)trans-124.1129.7-177.2-16660000109.3L351 L376 F380 A420L351-L378 HydrophobicContact CB-CD2 4.32Å; L351-L378 HydrophobicContact CD2-CD1 3.86Å; L351-L378 HydrophobicContact CD2-CD2 4.19Å; L351-L378 HydrophobicContact CD2-CG 4.45Å; L351-L378 HydrophobicContact CG-CD1 4.27Å; L351-L378 HydrophobicContact CG-CD2 4.31Å; L376-L378 HydrophobicContact CD2-CB 4.03Å; L378-F380 HydrophobicContact CB-CE2 4.27Å; L378-F380 HydrophobicContact CD2-CE1 4.22Å; L378-F380 HydrophobicContact CD2-CE2 3.37Å; L378-F380 HydrophobicContact CD2-CZ 3.17Å; L378-F380 HydrophobicContact CG-CD2 4.25Å; L378-F380 HydrophobicContact CG-CE1 4.49Å; L378-F380 HydrophobicContact CG-CE2 3.51Å; L378-F380 HydrophobicContact CG-CZ 3.66Å; L378-A420 HydrophobicContact CD1-CB 3.55Å
379Y95.9Very high91.1Very high125 Ų12568.9 Ų68.949%0.4935%0.349SS..EExtended strand (participates in β ladder)trans-118.6114179.2-57.7-88.3000108.2M377 A418 K419M377-Y379 HydrophobicContact CB-CE2 4.11Å; M377-Y379 VanDerWaalsContact CE-OH 3.26Å; M377-Y379 WeakPolarHBondContact CE-OH 3.3Å; Y379-A418 CarbonylContact O-C 3.54Å; Y379-A418 WeakPolarHBondContact O-CA 3.39Å; Y379-A418 WeakPolarHBondContact O-CB 3.4Å; Y379-K419 PolarHBondContact N-O 2.89Å; Y379-K419 PolarHBondContact O-N 3.4Å
380F92.5Very high92.5Very high74 Ų7466 Ų6633%0.32534%0.337SS..EExtended strand (participates in β ladder)trans-91.6124.2172.2-64.7-88.2000108.6Q348 L351 L378 A418Q348-F380 HydrophobicContact CB-CE1 4.39Å; Q348-F380 HydrophobicContact CB-CE2 3.65Å; Q348-F380 HydrophobicContact CB-CZ 3.43Å; Q348-F380 VanDerWaalsContact CB-CZ 3.43Å; Q348-F380 VanDerWaalsContact CD-CE2 3.42Å; Q348-F380 HydrophobicContact CG-CD2 4.1Å; Q348-F380 HydrophobicContact CG-CE1 4.05Å; Q348-F380 HydrophobicContact CG-CE2 3.4Å; Q348-F380 HydrophobicContact CG-CZ 3.38Å; L351-F380 HydrophobicContact CD2-CE1 3.79Å; L351-F380 HydrophobicContact CD2-CZ 4.18Å; L378-F380 HydrophobicContact CB-CE2 4.27Å; L378-F380 HydrophobicContact CD2-CE1 4.22Å; L378-F380 HydrophobicContact CD2-CE2 3.37Å; L378-F380 HydrophobicContact CD2-CZ 3.17Å; L378-F380 HydrophobicContact CG-CD2 4.25Å; L378-F380 HydrophobicContact CG-CE1 4.49Å; L378-F380 HydrophobicContact CG-CE2 3.51Å; L378-F380 HydrophobicContact CG-CZ 3.66Å; F380-A418 HydrophobicContact CD1-CB 4.28Å
381I94.1Very high93.5Very high103 Ų10365.3 Ų65.353%0.52833%0.334SS..  trans-106.3-42.1-173.7-55.7168.2000109.7I416 V417I381-I416 HydrophobicContact CD1-CG2 3.85Å; I381-V417 WeakPolarHBondContact CA-O 3.32Å; I381-V417 WeakPolarHBondContact CB-O 3.47Å; I381-V417 PolarHBondContact N-O 2.99Å
382Q92.1Very high94.2Very high103 Ų10364 Ų6448%0.48133%0.327SS..SBendtrans-134.5156.6-179.4-61.8-176.2-500111V417Q382-V417 HydrophobicContact CB-CB 4.24Å; Q382-V417 HydrophobicContact CB-CG1 4.1Å; Q382-V417 PolarHBondContact N-O 3.43Å; Q382-V417 VanDerWaalsContact N-O 3.08Å
383A90.8Very high94.7Very high66 Ų6667.8 Ų67.855%0.54534%0.341SS..  trans-71.3147.617400000110.5
384V93.8Very high95Very high9 Ų967.2 Ų67.26%0.05534%0.34CS..  trans-125.3135175.7-177.80000107.5V335 F346 D388 L390 V417V335-V384 HydrophobicContact CG2-CG1 3.71Å; F346-V384 HydrophobicContact CB-CB 4Å; V384-D388 HydrophobicContact CG1-CB 3.67Å; V384-D388 WeakPolarHBondContact CG1-OD2 3.2Å; V384-L390 HydrophobicContact CG1-CD1 3.87Å; V384-L390 HydrophobicContact CG1-CD2 3.91Å; V384-L390 HydrophobicContact CG1-CG 4.03Å; V384-L390 HydrophobicContact CG2-CD1 4.27Å; V384-L390 HydrophobicContact CG2-CD2 4.11Å; V384-V417 HydrophobicContact CG2-CB 4.01Å; V384-V417 HydrophobicContact CG2-CG1 4.44Å; V384-V417 HydrophobicContact CG2-CG2 3.81Å
385Q92.5Very high95.3Very high103 Ų10371.6 Ų71.648%0.48135%0.353SS..  trans-101.2170.4-176-61.2-61.2-53.500111.8V335 D388V335-Q385 WeakPolarHBondContact CB-O 3.41Å; V335-Q385 WeakPolarHBondContact CG1-O 3.45Å; Q385-D388 PolarHBondContact N-OD2 3.35Å; Q385-D388 WeakPolarHBondContact O-CB 3.29Å; Q385-D388 PolarHBondContact O-N 2.72Å
386I94.7Very high95.3Very high72 Ų7269.4 Ų69.437%0.36935%0.346SS..THydrogen-bonded Turntrans-60.3146.9167.6-61.3172.2000108.9P337 I340 D388P337-I386 HydrophobicContact CG-CG2 4.16Å; I340-I386 HydrophobicContact CD1-CG1 3.73Å; I340-I386 HydrophobicContact CG1-CD1 3.98Å; I340-I386 HydrophobicContact CG1-CG1 3.53Å; I386-D388 PolarHBondContact O-N 2.89Å
387D95.6Very high95.2Very high128 Ų12871.6 Ų71.668%0.68436%0.357SS*.THydrogen-bonded Turntrans70.4-5.5-178.7-55-42.4000115.5V335 C389V335-D387 PolarHBondContact O-N 3.22Å; D387-C389 PolarHBondContact O-N 3.41Å
388D96.3Very high95Very high40 Ų4070.9 Ų70.921%0.21436%0.357CS..  trans-62.4135.1170.5-78.3-15.8000110.6V334 V335 V384 Q385 I386 L412V334-D388 WeakPolarHBondContact CA-O 3.46Å; V335-D388 HydrophobicContact CG2-CB 4.43Å; V335-D388 PolarHBondContact N-O 3.3Å; V384-D388 HydrophobicContact CG1-CB 3.67Å; V384-D388 WeakPolarHBondContact CG1-OD2 3.2Å; Q385-D388 PolarHBondContact N-OD2 3.35Å; Q385-D388 WeakPolarHBondContact O-CB 3.29Å; Q385-D388 PolarHBondContact O-N 2.72Å; I386-D388 PolarHBondContact O-N 2.89Å; D388-L412 HydrophobicContact CB-CD1 3.76Å; D388-L412 HydrophobicContact CB-CD2 4.36Å; D388-L412 WeakPolarHBondContact OD2-CD2 3.24Å
389C96.6Very high94.7Very high60 Ų6072.1 Ų72.141%0.40536%0.362SS..EExtended strand (participates in β ladder)trans-96.7111.9173.5-172.30000110.1V334 D387V334-C389 HydrophobicContact CG2-CB 4.45Å; D387-C389 PolarHBondContact O-N 3.41Å
390L97.1Very high94.4Very high1 Ų172.9 Ų72.91%0.00537%0.368CS..EExtended strand (participates in β ladder)trans-95.6137.1178.7-65.9-176.1000111.5K332 F333 V335 F346 V384 I410 L411 L412 V417K332-L390 WeakPolarHBondContact CA-O 3.42Å; K332-L390 WeakPolarHBondContact CB-O 3.37Å; F333-L390 HydrophobicContact CD1-CB 4.18Å; F333-L390 HydrophobicContact CE1-CB 3.64Å; F333-L390 HydrophobicContact CE1-CD1 3.99Å; F333-L390 HydrophobicContact CE1-CG 4.41Å; F333-L390 HydrophobicContact CE2-CD1 4.07Å; F333-L390 HydrophobicContact CZ-CB 3.85Å; F333-L390 HydrophobicContact CZ-CD1 3.4Å; F333-L390 HydrophobicContact CZ-CG 4.12Å; F333-L390 PolarHBondContact N-O 2.96Å; F333-L390 VanDerWaalsContact N-O 3.08Å; F333-L390 PolarHBondContact O-N 3.3Å; V335-L390 HydrophobicContact CG2-CD1 4.12Å; V335-L390 HydrophobicContact CG2-CG 4.28Å; F346-L390 HydrophobicContact CD1-CD1 4.34Å; F346-L390 HydrophobicContact CE1-CD1 4.06Å; V384-L390 HydrophobicContact CG1-CD1 3.87Å; V384-L390 HydrophobicContact CG1-CD2 3.91Å; V384-L390 HydrophobicContact CG1-CG 4.03Å; V384-L390 HydrophobicContact CG2-CD1 4.27Å; V384-L390 HydrophobicContact CG2-CD2 4.11Å; L390-I410 HydrophobicContact CB-CG2 4.36Å; L390-I410 HydrophobicContact CD1-CG2 4.11Å; L390-I410 HydrophobicContact CD2-CG2 4.46Å; L390-L411 WeakPolarHBondContact CA-O 3.34Å; L390-L412 HydrophobicContact CD2-CB 3.82Å; L390-L412 HydrophobicContact CD2-CD1 4.26Å; L390-V417 HydrophobicContact CD2-CG2 3.79Å
391V97.6Very high94.1Very high35 Ų3579.5 Ų79.521%0.21239%0.391CS..EExtended strand (participates in β ladder)trans-109.3126.1173.2-179.20000109.1V330 Y331 R393 I410 L411V330-V391 HydrophobicContact CB-CG1 3.93Å; V330-V391 HydrophobicContact CG1-CG1 4.24Å; V330-V391 HydrophobicContact CG2-CG1 4.19Å; Y331-V391 CarbonylContact O-C 3.4Å; Y331-V391 WeakPolarHBondContact O-CA 3.36Å; V391-R393 HydrophobicContact CG1-CG 4.2Å; V391-I410 CarbonylContact O-C 3.6Å; V391-I410 WeakPolarHBondContact O-CA 3.47Å; V391-L411 PolarHBondContact N-O 3.15Å; V391-L411 PolarHBondContact O-N 3.26Å
392I97.7Very high93.7Very high0 Ų082.5 Ų82.50%040%0.395CS..EExtended strand (participates in β ladder)trans-107.5120.2177.5-55.4172.6000109.5L324 Y331 F333 L351 F354 I355 I358 P394 F408 I410L324-I392 HydrophobicContact CD1-CD1 4.49Å; Y331-I392 PolarHBondContact N-O 2.92Å; Y331-I392 PolarHBondContact O-N 3.41Å; F333-I392 HydrophobicContact CD1-CD1 4.14Å; F333-I392 HydrophobicContact CE1-CD1 3.77Å; F333-I392 HydrophobicContact CE1-CG1 4.2Å; L351-I392 HydrophobicContact CD1-CD1 4.11Å; F354-I392 HydrophobicContact CB-CD1 4.03Å; I355-I392 HydrophobicContact CD1-CG2 3.91Å; I358-I392 HydrophobicContact CD1-CB 3.93Å; I358-I392 HydrophobicContact CD1-CD1 3.64Å; I358-I392 HydrophobicContact CD1-CG1 4.4Å; I358-I392 HydrophobicContact CD1-CG2 3.65Å; I392-P394 WeakPolarHBondContact O-CD 3.37Å; I392-F408 HydrophobicContact CG2-CD1 3.67Å; I392-F408 HydrophobicContact CG2-CE1 4.31Å; I392-I410 HydrophobicContact CG1-CG1 4.18Å; I392-I410 HydrophobicContact CG1-CG2 4.39Å; I392-I410 HydrophobicContact CG2-CG1 4.46Å
393R96.5Very high93.7Very high99 Ų9979.6 Ų79.637%0.37439%0.386SS..EExtended strand (participates in β ladder)trans-112.9103179-65.9-176.5-177.7146.53.2110.6V330 V391 E409 L411 D414V330-R393 HydrophobicContact CG1-CG 4.39Å; V391-R393 HydrophobicContact CG1-CG 4.2Å; R393-E409 PolarHBondContact N-O 3.08Å; R393-E409 PolarHBondContact O-N 2.75Å; R393-E409 VanDerWaalsContact O-N 3.07Å; R393-L411 HydrophobicContact CB-CD1 4.36Å; R393-L411 HydrophobicContact CG-CD1 3.91Å; R393-D414 IonicContact NH2-OD1 3.71Å
394P96.5Very high93.8Very high37 Ų3776.5 Ų76.524%0.2436%0.361CS..EExtended strand (participates in β ladder)trans-80.2140.6173.330.5-32.9000111.9Y331 I358 V362 I392 I406 D407 F408Y331-P394 HydrophobicContact CD2-CG 4.09Å; Y331-P394 HydrophobicContact CE2-CG 3.88Å; I358-P394 HydrophobicContact CG2-CB 4.12Å; I358-P394 HydrophobicContact CG2-CG 3.86Å; V362-P394 HydrophobicContact CG2-CB 3.86Å; V362-P394 HydrophobicContact CG2-CG 3.58Å; I392-P394 WeakPolarHBondContact O-CD 3.37Å; P394-I406 HydrophobicContact CB-CG2 4.12Å; P394-D407 CarbonylContact C-O 3.49Å; P394-D407 WeakPolarHBondContact CA-O 3.44Å; P394-F408 HydrophobicContact CB-CD1 3.93Å; P394-F408 HydrophobicContact CB-CE1 3.63Å; P394-F408 HydrophobicContact CB-CZ 4.09Å
395R95.5Very high93.9Very high184 Ų18477.7 Ų77.769%0.69437%0.368SS*.EExtended strand (participates in β ladder)trans-133.3115.8171.5-179.9-178.5176.7179.30110.2I397 I406 D407R395-I397 PolarHBondContact O-N 3.12Å; R395-I397 VanDerWaalsContact O-N 3.15Å; R395-I406 WeakPolarHBondContact O-CA 3.37Å; R395-D407 HydrophobicContact CB-CB 4.42Å; R395-D407 PolarHBondContact N-O 2.95Å; R395-D407 PolarHBondContact O-N 3.03Å
396V94.8Very high94.2Very high57 Ų5772.8 Ų72.835%0.34535%0.345SS..EExtended strand (participates in β ladder)trans-69.7111.8173.3-176.50000108.9V362 E399 I406V362-V396 HydrophobicContact CG1-CG2 3.71Å; V396-E399 HydrophobicContact CG1-CB 4.06Å; V396-I406 HydrophobicContact CG2-CG1 4.44Å
397I95.5Very high94.3Very high95 Ų9570.4 Ų70.449%0.48733%0.333SS..EExtended strand (participates in β ladder)trans-75.7-49176.3-61.4179.1000109.6R395 V405 D407 L421R395-I397 PolarHBondContact O-N 3.12Å; R395-I397 VanDerWaalsContact O-N 3.15Å; I397-V405 HydrophobicContact CB-CB 4.43Å; I397-V405 HydrophobicContact CB-CG1 4.44Å; I397-V405 HydrophobicContact CD1-CG1 4.14Å; I397-V405 PolarHBondContact N-O 2.8Å; I397-D407 HydrophobicContact CD1-CB 3.88Å; I397-D407 HydrophobicContact CG1-CB 3.95Å; I397-L421 HydrophobicContact CD1-CD1 3.77Å
398T93.6Very high94.4Very high59 Ų5964.3 Ų64.336%0.36230%0.3SS..EExtended strand (participates in β ladder)trans-140.8135.5-176.7-14.10000109.7S404 V405T398-S404 CarbonylContact O-C 3.52Å; T398-S404 WeakPolarHBondContact O-CA 3.21Å; T398-S404 VanDerWaalsContact O-CB 3.26Å; T398-S404 WeakPolarHBondContact O-CB 3.2Å; T398-V405 PolarHBondContact N-O 3.48Å; T398-V405 PolarHBondContact O-N 3.01Å
399E89.9Confident94.5Very high64 Ų6465.5 Ų65.530%0.29931%0.305SS..EExtended strand (participates in β ladder)trans-130104.1171.2-169.4-173.8179.800108.4K366 H367 V396 I426K366-E399 IonicContact NZ-OE1 2.84Å; K366-E399 IonicContact NZ-OE2 3.16Å; K366-E399 PolarHBondContact NZ-OE2 2.88Å; H367-E399 IonicContact CD2-OE1 2.66Å; H367-E399 PolarHBondContact CD2-OE1 3.27Å; H367-E399 VanDerWaalsContact CD2-OE1 3.3Å; H367-E399 IonicContact NE2-OE1 3.3Å; V396-E399 HydrophobicContact CG1-CB 4.06Å; E399-I426 HydrophobicContact CG-CD1 4.47Å
400K89.5Confident94.5Very high141 Ų14162.7 Ų62.761%0.61329%0.286SS*.  trans-99.1172.3173.9-63.7-177.2-179.2177.20109.3R402 S403K400-R402 PolarHBondContact O-N 3.16Å; K400-R402 VanDerWaalsContact O-N 3.14Å; K400-S403 CarbonylContact C-O 3.57Å; K400-S403 WeakPolarHBondContact CA-O 3.43Å; K400-S403 PolarHBondContact N-O 2.84Å
401R85.3Confident94.6Very high214 Ų21463 Ų6381%0.80829%0.287SS*.SBendtrans-53.8-37.2179.6-177.1178.3174.7176.30.6113.8
402R86.1Confident94.5Very high165 Ų16562.9 Ų62.962%0.62329%0.285SS*.SBendtrans-122.1-1.9-173-71.4-173.9174179.8-2.6114.6K400 K425 I426K400-R402 PolarHBondContact O-N 3.16Å; K400-R402 VanDerWaalsContact O-N 3.14Å; R402-K425 WeakPolarHBondContact O-CA 3.48Å; R402-I426 WeakPolarHBondContact CA-O 3.49Å; R402-I426 PolarHBondContact O-N 2.98Å
403S91.1Very high94.3Very high42 Ų4271.2 Ų71.229%0.29432%0.324SS..EExtended strand (participates in β ladder)trans-151.7154.8-178.2610000112K400 T424K400-S403 CarbonylContact C-O 3.57Å; K400-S403 WeakPolarHBondContact CA-O 3.43Å; K400-S403 PolarHBondContact N-O 2.84Å; S403-T424 CarbonylContact C-O 3.48Å; S403-T424 WeakPolarHBondContact CA-O 3.32Å; S403-T424 WeakPolarHBondContact CB-O 3.28Å
404S93.6Very high94Very high1 Ų172.1 Ų72.11%0.00734%0.336CS..EExtended strand (participates in β ladder)trans-142.6159.5171.283.20000111.4L363 T398 T423 T424L363-S404 VanDerWaalsContact CD1-OG 3.3Å; L363-S404 WeakPolarHBondContact CD1-OG 3.32Å; L363-S404 WeakPolarHBondContact CD2-OG 3.48Å; T398-S404 CarbonylContact O-C 3.52Å; T398-S404 WeakPolarHBondContact O-CA 3.21Å; T398-S404 VanDerWaalsContact O-CB 3.26Å; T398-S404 WeakPolarHBondContact O-CB 3.2Å; S404-T423 WeakPolarHBondContact O-CA 3.45Å; S404-T424 PolarHBondContact N-O 2.65Å; S404-T424 PolarHBondContact N-OG1 3.47Å; S404-T424 PolarHBondContact O-N 3.08Å; S404-T424 PolarHBondContact OG-OG1 2.99Å
405V96.9Very high94Very high34 Ų3476.1 Ų76.121%0.20635%0.352CS..EExtended strand (participates in β ladder)trans-128.4127173.4-176.80000107.9I397 T398 L421 V422 T423I397-V405 HydrophobicContact CB-CB 4.43Å; I397-V405 HydrophobicContact CB-CG1 4.44Å; I397-V405 HydrophobicContact CD1-CG1 4.14Å; I397-V405 PolarHBondContact N-O 2.8Å; T398-V405 PolarHBondContact N-O 3.48Å; T398-V405 PolarHBondContact O-N 3.01Å; V405-L421 HydrophobicContact CG1-CD1 3.66Å; V405-L421 HydrophobicContact CG1-CG 4.08Å; V405-V422 CarbonylContact C-O 3.52Å; V405-V422 VanDerWaalsContact CA-O 3.29Å; V405-V422 WeakPolarHBondContact CA-O 3.33Å; V405-T423 HydrophobicContact CG2-CG2 4.4Å
406I97Very high94.1Very high0 Ų070.2 Ų70.20%033%0.334CS..EExtended strand (participates in β ladder)trans-119.9127.3-179.6-45.3177.1000108.7L363 P394 R395 V396 F408 V422L363-I406 HydrophobicContact CD1-CD1 3.86Å; L363-I406 HydrophobicContact CD2-CD1 4.11Å; L363-I406 HydrophobicContact CG-CD1 3.77Å; P394-I406 HydrophobicContact CB-CG2 4.12Å; R395-I406 WeakPolarHBondContact O-CA 3.37Å; V396-I406 HydrophobicContact CG2-CG1 4.44Å; I406-F408 HydrophobicContact CB-CD2 4.35Å; I406-F408 HydrophobicContact CB-CE2 3.7Å; I406-F408 HydrophobicContact CB-CZ 4.4Å; I406-F408 HydrophobicContact CG2-CD2 3.95Å; I406-F408 HydrophobicContact CG2-CE2 3.38Å; I406-F408 HydrophobicContact CG2-CZ 3.76Å; I406-V422 HydrophobicContact CB-CB 4.48Å; I406-V422 PolarHBondContact N-O 3.1Å; I406-V422 PolarHBondContact O-N 2.74Å
407D97.9Very high94.2Very high22 Ų2267.6 Ų67.612%0.11832%0.318CS..EExtended strand (participates in β ladder)trans-89.6143.8168-159.736.9000109.6P394 R395 I397 K419 A420P394-D407 CarbonylContact C-O 3.49Å; P394-D407 WeakPolarHBondContact CA-O 3.44Å; R395-D407 HydrophobicContact CB-CB 4.42Å; R395-D407 PolarHBondContact N-O 2.95Å; R395-D407 PolarHBondContact O-N 3.03Å; I397-D407 HydrophobicContact CD1-CB 3.88Å; I397-D407 HydrophobicContact CG1-CB 3.95Å; D407-K419 WeakPolarHBondContact OD1-CE 3.47Å; D407-K419 IonicContact OD1-NZ 2.88Å; D407-K419 PolarHBondContact OD1-NZ 3.37Å; D407-K419 WeakPolarHBondContact OD2-CE 3.46Å; D407-K419 IonicContact OD2-NZ 3.07Å; D407-K419 PolarHBondContact OD2-NZ 3.42Å; D407-A420 CarbonylContact C-O 3.5Å
408F97.9Very high94.3Very high0 Ų063.2 Ų63.20%030%0.296CS..EExtended strand (participates in β ladder)trans-129.7125.4176-71.8-98.8000109.8I355 I358 S359 I392 P394 I406 I410 K419 A420 V422I355-F408 HydrophobicContact CD1-CB 3.78Å; I355-F408 HydrophobicContact CD1-CD1 3.36Å; I355-F408 HydrophobicContact CD1-CD2 4.35Å; I355-F408 HydrophobicContact CD1-CE1 3.93Å; I355-F408 HydrophobicContact CD1-CG 3.6Å; I355-F408 HydrophobicContact CG2-CD1 4.44Å; I355-F408 HydrophobicContact CG2-CD2 3.96Å; I355-F408 HydrophobicContact CG2-CE1 4.32Å; I355-F408 HydrophobicContact CG2-CE2 3.87Å; I355-F408 HydrophobicContact CG2-CG 4.25Å; I355-F408 HydrophobicContact CG2-CZ 4.07Å; I358-F408 HydrophobicContact CB-CE1 3.89Å; I358-F408 HydrophobicContact CB-CZ 4.43Å; I358-F408 HydrophobicContact CG2-CE1 3.57Å; I358-F408 HydrophobicContact CG2-CZ 4.21Å; S359-F408 WeakPolarHBondContact OG-CE2 3.31Å; S359-F408 WeakPolarHBondContact OG-CZ 3.29Å; I392-F408 HydrophobicContact CG2-CD1 3.67Å; I392-F408 HydrophobicContact CG2-CE1 4.31Å; P394-F408 HydrophobicContact CB-CD1 3.93Å; P394-F408 HydrophobicContact CB-CE1 3.63Å; P394-F408 HydrophobicContact CB-CZ 4.09Å; I406-F408 HydrophobicContact CB-CD2 4.35Å; I406-F408 HydrophobicContact CB-CE2 3.7Å; I406-F408 HydrophobicContact CB-CZ 4.4Å; I406-F408 HydrophobicContact CG2-CD2 3.95Å; I406-F408 HydrophobicContact CG2-CE2 3.38Å; I406-F408 HydrophobicContact CG2-CZ 3.76Å; F408-I410 HydrophobicContact CB-CD1 4.17Å; F408-K419 WeakPolarHBondContact O-CA 3.36Å; F408-K419 WeakPolarHBondContact O-CG 3.44Å; F408-A420 HydrophobicContact CB-CB 3.88Å; F408-A420 HydrophobicContact CD2-CB 4.37Å; F408-A420 HydrophobicContact CG-CB 4.4Å; F408-A420 PolarHBondContact N-O 3.26Å; F408-A420 PolarHBondContact O-N 3.15Å; F408-V422 HydrophobicContact CD2-CG2 3.9Å; F408-V422 HydrophobicContact CE2-CB 4.08Å; F408-V422 HydrophobicContact CE2-CG2 3.55Å
409E97.6Very high94.5Very high66 Ų6663.9 Ų63.931%0.30829%0.293SS..EExtended strand (participates in β ladder)trans-101.2128.5165.6-65.5178.8160.100108.6R393 L411 I416R393-E409 PolarHBondContact N-O 3.08Å; R393-E409 PolarHBondContact O-N 2.75Å; R393-E409 VanDerWaalsContact O-N 3.07Å; E409-L411 HydrophobicContact CB-CD1 4.06Å; E409-I416 HydrophobicContact CG-CD1 4.3Å
410I97.7Very high94.8Very high1 Ų160.8 Ų60.81%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-112.3118.4176-57.786.8000106.8L351 I355 L390 V391 I392 F408 I416 V417 A418L351-I410 HydrophobicContact CD1-CG1 4.15Å; L351-I410 HydrophobicContact CD2-CD1 4.47Å; L351-I410 HydrophobicContact CD2-CG1 4.29Å; I355-I410 HydrophobicContact CD1-CD1 4.14Å; I355-I410 HydrophobicContact CD1-CG1 4.38Å; L390-I410 HydrophobicContact CB-CG2 4.36Å; L390-I410 HydrophobicContact CD1-CG2 4.11Å; L390-I410 HydrophobicContact CD2-CG2 4.46Å; V391-I410 CarbonylContact O-C 3.6Å; V391-I410 WeakPolarHBondContact O-CA 3.47Å; I392-I410 HydrophobicContact CG1-CG1 4.18Å; I392-I410 HydrophobicContact CG1-CG2 4.39Å; I392-I410 HydrophobicContact CG2-CG1 4.46Å; F408-I410 HydrophobicContact CB-CD1 4.17Å; I410-I416 WeakPolarHBondContact O-CA 3.43Å; I410-V417 HydrophobicContact CG2-CG2 4Å; I410-V417 WeakPolarHBondContact O-CG2 3.21Å; I410-V417 PolarHBondContact O-N 3.45Å; I410-A418 HydrophobicContact CB-CB 4Å; I410-A418 WeakPolarHBondContact CB-O 3.2Å; I410-A418 HydrophobicContact CD1-CB 4.07Å; I410-A418 WeakPolarHBondContact CD1-O 3.4Å; I410-A418 HydrophobicContact CG1-CB 4.35Å; I410-A418 PolarHBondContact N-O 3.29Å; I410-A418 PolarHBondContact O-N 3.03Å
411L97.6Very high95.3Very high8 Ų856.8 Ų56.84%0.04226%0.264CS..EExtended strand (participates in β ladder)trans-116.8141.8-170.5-54.199.1000111.8L390 V391 R393 E409 Q415 I416L390-L411 WeakPolarHBondContact CA-O 3.34Å; V391-L411 PolarHBondContact N-O 3.15Å; V391-L411 PolarHBondContact O-N 3.26Å; R393-L411 HydrophobicContact CB-CD1 4.36Å; R393-L411 HydrophobicContact CG-CD1 3.91Å; E409-L411 HydrophobicContact CB-CD1 4.06Å; L411-Q415 CarbonylContact C-O 3.55Å; L411-Q415 WeakPolarHBondContact CA-O 3.13Å; L411-I416 HydrophobicContact CD2-CG1 4.42Å
412L96.9Very high95.8Very high31 Ų3146.6 Ų46.616%0.16223%0.225CC..EExtended strand (participates in β ladder)trans-120.4121.2163.5178.560.7000106.9D388 L390 D414 Q415 V417D388-L412 HydrophobicContact CB-CD1 3.76Å; D388-L412 HydrophobicContact CB-CD2 4.36Å; D388-L412 WeakPolarHBondContact OD2-CD2 3.24Å; L390-L412 HydrophobicContact CD2-CB 3.82Å; L390-L412 HydrophobicContact CD2-CD1 4.26Å; L412-D414 VanDerWaalsContact C-N 3.26Å; L412-D414 PolarHBondContact O-N 3.3Å; L412-D414 VanDerWaalsContact O-N 3.17Å; L412-Q415 PolarHBondContact N-O 3.38Å; L412-Q415 WeakPolarHBondContact O-CB 3.18Å; L412-Q415 PolarHBondContact O-N 2.88Å; L412-V417 HydrophobicContact CB-CG1 3.55Å; L412-V417 HydrophobicContact CB-CG2 4.34Å; L412-V417 HydrophobicContact CD2-CG1 4.36Å
413E92.9Very high96.3Very high175 Ų17540.3 Ų40.382%0.81821%0.205SC*.THydrogen-bonded Turntrans46.647.3-178.8-57.6-173.116500113.5Q415E413-Q415 PolarHBondContact O-N 2.96Å; E413-Q415 VanDerWaalsContact O-N 3.08Å
414D90.7Very high96.3Very high118 Ų11838.3 Ų38.363%0.63119%0.191SC*.THydrogen-bonded Turntrans63.61.9-175.9-65.6-48000116.8R393 L412R393-D414 IonicContact NH2-OD1 3.71Å; L412-D414 VanDerWaalsContact C-N 3.26Å; L412-D414 PolarHBondContact O-N 3.3Å; L412-D414 VanDerWaalsContact O-N 3.17Å
415Q96.1Very high96Very high122 Ų12240.2 Ų40.257%0.5720%0.2SC*.EExtended strand (participates in β ladder)trans-89.3133.7169.6-61-58.1-5000110.9L411 L412 E413 V417L411-Q415 CarbonylContact C-O 3.55Å; L411-Q415 WeakPolarHBondContact CA-O 3.13Å; L412-Q415 PolarHBondContact N-O 3.38Å; L412-Q415 WeakPolarHBondContact O-CB 3.18Å; L412-Q415 PolarHBondContact O-N 2.88Å; E413-Q415 PolarHBondContact O-N 2.96Å; E413-Q415 VanDerWaalsContact O-N 3.08Å; Q415-V417 PolarHBondContact O-N 3.06Å
416I97.2Very high95.2Very high60 Ų6038.9 Ų38.931%0.30819%0.191SC..EExtended strand (participates in β ladder)trans-74.5110.9176.2-55.4177.7000108.9I381 E409 I410 L411 A418I381-I416 HydrophobicContact CD1-CG2 3.85Å; E409-I416 HydrophobicContact CG-CD1 4.3Å; I410-I416 WeakPolarHBondContact O-CA 3.43Å; L411-I416 HydrophobicContact CD2-CG1 4.42Å; I416-A418 VanDerWaalsContact CG2-O 3.27Å; I416-A418 WeakPolarHBondContact CG2-O 3.29Å
417V96.9Very high93.9Very high2 Ų242.7 Ų42.71%0.01221%0.212CC..EExtended strand (participates in β ladder)trans-95.3-24.8178.1-62.90000112.4I381 Q382 V384 L390 I410 L412 Q415I381-V417 WeakPolarHBondContact CA-O 3.32Å; I381-V417 WeakPolarHBondContact CB-O 3.47Å; I381-V417 PolarHBondContact N-O 2.99Å; Q382-V417 HydrophobicContact CB-CB 4.24Å; Q382-V417 HydrophobicContact CB-CG1 4.1Å; Q382-V417 PolarHBondContact N-O 3.43Å; Q382-V417 VanDerWaalsContact N-O 3.08Å; V384-V417 HydrophobicContact CG2-CB 4.01Å; V384-V417 HydrophobicContact CG2-CG1 4.44Å; V384-V417 HydrophobicContact CG2-CG2 3.81Å; L390-V417 HydrophobicContact CD2-CG2 3.79Å; I410-V417 HydrophobicContact CG2-CG2 4Å; I410-V417 WeakPolarHBondContact O-CG2 3.21Å; I410-V417 PolarHBondContact O-N 3.45Å; L412-V417 HydrophobicContact CB-CG1 3.55Å; L412-V417 HydrophobicContact CB-CG2 4.34Å; L412-V417 HydrophobicContact CD2-CG1 4.36Å; Q415-V417 PolarHBondContact O-N 3.06Å
418A97.4Very high93.7Very high3 Ų343.7 Ų43.73%0.02522%0.216CC..EExtended strand (participates in β ladder)trans-150.1159.317200000111.8L351 Y379 F380 I410 I416L351-A418 HydrophobicContact CD2-CB 4Å; Y379-A418 CarbonylContact O-C 3.54Å; Y379-A418 WeakPolarHBondContact O-CA 3.39Å; Y379-A418 WeakPolarHBondContact O-CB 3.4Å; F380-A418 HydrophobicContact CD1-CB 4.28Å; I410-A418 HydrophobicContact CB-CB 4Å; I410-A418 WeakPolarHBondContact CB-O 3.2Å; I410-A418 HydrophobicContact CD1-CB 4.07Å; I410-A418 WeakPolarHBondContact CD1-O 3.4Å; I410-A418 HydrophobicContact CG1-CB 4.35Å; I410-A418 PolarHBondContact N-O 3.29Å; I410-A418 PolarHBondContact O-N 3.03Å; I416-A418 VanDerWaalsContact CG2-O 3.27Å; I416-A418 WeakPolarHBondContact CG2-O 3.29Å
419K97.7Very high93.5Very high72 Ų7246 Ų4631%0.31323%0.228SC..EExtended strand (participates in β ladder)trans-133.6141.1175-166168.2-179.8147.90110.1Y379 D407 F408Y379-K419 PolarHBondContact N-O 2.89Å; Y379-K419 PolarHBondContact O-N 3.4Å; D407-K419 WeakPolarHBondContact OD1-CE 3.47Å; D407-K419 IonicContact OD1-NZ 2.88Å; D407-K419 PolarHBondContact OD1-NZ 3.37Å; D407-K419 WeakPolarHBondContact OD2-CE 3.46Å; D407-K419 IonicContact OD2-NZ 3.07Å; D407-K419 PolarHBondContact OD2-NZ 3.42Å; F408-K419 WeakPolarHBondContact O-CA 3.36Å; F408-K419 WeakPolarHBondContact O-CG 3.44Å
420A98Very high93.3Very high0 Ų044.9 Ų44.90%022%0.223CC..EExtended strand (participates in β ladder)trans-130144.9173.900000112.1I355 M377 L378 D407 F408I355-A420 HydrophobicContact CD1-CB 4.23Å; I355-A420 HydrophobicContact CG1-CB 4.31Å; I355-A420 HydrophobicContact CG2-CB 4.1Å; M377-A420 CarbonylContact O-C 3.5Å; M377-A420 WeakPolarHBondContact O-CA 3.41Å; L378-A420 HydrophobicContact CD1-CB 3.55Å; D407-A420 CarbonylContact C-O 3.5Å; F408-A420 HydrophobicContact CB-CB 3.88Å; F408-A420 HydrophobicContact CD2-CB 4.37Å; F408-A420 HydrophobicContact CG-CB 4.4Å; F408-A420 PolarHBondContact N-O 3.26Å; F408-A420 PolarHBondContact O-N 3.15Å
421L98.1Very high93Very high56 Ų5647.5 Ų47.529%0.29324%0.236SC..EExtended strand (participates in β ladder)trans-121.1125.3170.2-168.774.4000108.7L376 M377 I397 V405L376-L421 WeakPolarHBondContact CA-O 3.39Å; M377-L421 PolarHBondContact N-O 3.48Å; M377-L421 PolarHBondContact O-N 3.09Å; I397-L421 HydrophobicContact CD1-CD1 3.77Å; V405-L421 HydrophobicContact CG1-CD1 3.66Å; V405-L421 HydrophobicContact CG1-CG 4.08Å
422V97.6Very high92.7Very high0 Ų049.9 Ų49.90%025%0.248CC..EExtended strand (participates in β ladder)trans-120.3123.6-177.3-176.60000109.6I355 I373 Q375 L376 V405 I406 F408 T424I355-V422 HydrophobicContact CG2-CG2 3.47Å; I355-V422 VanDerWaalsContact CG2-CG2 3.47Å; I373-V422 HydrophobicContact CD1-CG1 3.77Å; I373-V422 HydrophobicContact CG2-CG1 3.96Å; Q375-V422 WeakPolarHBondContact O-CA 3.38Å; L376-V422 HydrophobicContact CD1-CG2 4.12Å; L376-V422 HydrophobicContact CG-CG2 4.07Å; V405-V422 CarbonylContact C-O 3.52Å; V405-V422 VanDerWaalsContact CA-O 3.29Å; V405-V422 WeakPolarHBondContact CA-O 3.33Å; I406-V422 HydrophobicContact CB-CB 4.48Å; I406-V422 PolarHBondContact N-O 3.1Å; I406-V422 PolarHBondContact O-N 2.74Å; F408-V422 HydrophobicContact CD2-CG2 3.9Å; F408-V422 HydrophobicContact CE2-CB 4.08Å; F408-V422 HydrophobicContact CE2-CG2 3.55Å; V422-T424 HydrophobicContact CG1-CG2 3.88Å
423T95.9Very high92.5Very high33 Ų3351.2 Ų51.220%0.20225%0.254CS..EExtended strand (participates in β ladder)trans-104.5131.1170.4-56.80000109E374 Q375 S404 V405E374-T423 PolarHBondContact N-O 3.17Å; Q375-T423 PolarHBondContact N-O 2.91Å; Q375-T423 PolarHBondContact O-N 3Å; S404-T423 WeakPolarHBondContact O-CA 3.45Å; V405-T423 HydrophobicContact CG2-CG2 4.4Å
424T91.8Very high92.4Very high0 Ų042.4 Ų42.40%021%0.214CC..EExtended strand (participates in β ladder)trans-125.6148.6-177.271.90000112L363 I371 I372 I373 S403 S404 V422L363-T424 HydrophobicContact CD1-CG2 3.81Å; I371-T424 HydrophobicContact CG2-CG2 4.04Å; I372-T424 CarbonylContact O-C 3.6Å; I372-T424 WeakPolarHBondContact O-CA 3.45Å; I372-T424 WeakPolarHBondContact O-CB 3.5Å; I373-T424 HydrophobicContact CD1-CG2 3.66Å; S403-T424 CarbonylContact C-O 3.48Å; S403-T424 WeakPolarHBondContact CA-O 3.32Å; S403-T424 WeakPolarHBondContact CB-O 3.28Å; S404-T424 PolarHBondContact N-O 2.65Å; S404-T424 PolarHBondContact N-OG1 3.47Å; S404-T424 PolarHBondContact O-N 3.08Å; S404-T424 PolarHBondContact OG-OG1 2.99Å; V422-T424 HydrophobicContact CG1-CG2 3.88Å
425K87.3Confident92.6Very high42 Ų4236.5 Ų36.518%0.18318%0.181CC..EExtended strand (participates in β ladder)trans-93.3134.6160.9-157.9173.8-174.7178.20109.6I276 I372 E374 R402I276-K425 HydrophobicContact CG2-CD 4.23Å; I276-K425 PolarHBondContact O-NZ 3.11Å; I372-K425 HydrophobicContact CB-CB 4.45Å; I372-K425 PolarHBondContact N-O 3.06Å; I372-K425 PolarHBondContact O-N 2.74Å; E374-K425 HydrophobicContact CG-CB 3.9Å; R402-K425 WeakPolarHBondContact O-CA 3.48Å
426I80.2Confident92.3Very high6 Ų629.4 Ų29.43%0.03115%0.149CC..EExtended strand (participates in β ladder)trans-115.8127.9179.7-58.4179.1000108.2L363 K369 E399 R402L363-I426 HydrophobicContact CD2-CD1 4.47Å; K369-I426 HydrophobicContact CB-CG2 3.75Å; K369-I426 HydrophobicContact CD-CG2 3.27Å; K369-I426 HydrophobicContact CG-CG2 4.16Å; E399-I426 HydrophobicContact CG-CD1 4.47Å; R402-I426 WeakPolarHBondContact CA-O 3.49Å; R402-I426 PolarHBondContact O-N 2.98Å
427N69.5Low91.8Very high79 Ų7926.6 Ų26.642%0.42214%0.135SC..  trans-121.30170-67-77.6000113.1I276 R298 K369 N370I276-N427 WeakPolarHBondContact CG2-ND2 3.44Å; R298-N427 PolarHBondContact NH2-ND2 2.9Å; R298-N427 PolarHBondContact NH2-OD1 3.07Å; K369-N427 WeakPolarHBondContact CA-O 3.46Å; K369-N427 VanDerWaalsContact CB-O 3.26Å; K369-N427 WeakPolarHBondContact CB-O 3.2Å; K369-N427 WeakPolarHBondContact CG-O 3.32Å; N370-N427 PolarHBondContact N-O 2.86Å; N370-N427 VanDerWaalsContact N-O 3.11Å; N370-N427 PolarHBondContact O-N 2.94Å; N370-N427 VanDerWaalsContact O-N 3.09Å

Retrieved 427 of 427 residues in 123.5 ms (Link to these results)

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