A0A087XT84_POEFO Loading...

Guanine nucleotide-binding protein G(olf) subunit alpha-like

AlphaFold DB , UniProt , Accession A0A087XT84, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 378 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
1M44.4Very low60.7Low246 Ų246120.8 Ų120.8100%1.21273%0.733SS**  0104.10-68.4-175.1-158.300107.6
2G41.4Very low62.1Low78 Ų78122.6 Ų122.680%0.80472%0.716SS**  trans-96.9110.5174.400000109.1L4G2-L4 PolarHBondContact O-N 3.08Å
3C47Very low63.3Low131 Ų131122.2 Ų122.289%0.88571%0.709SS**  trans-67.1122.6176.9-81.30000110.7G5C3-G5 PolarHBondContact O-N 3.18Å
4L52.8Low64.9Low176 Ų176119.1 Ų119.192%0.92169%0.688SS**  trans-65.7104.1165.1-78.1132.8000109.1G2 G6G2-L4 PolarHBondContact O-N 3.08Å; L4-G6 PolarHBondContact O-N 3.43Å
5G52.8Low66.4Low80 Ų80115.7 Ų115.783%0.82566%0.664SS**  trans-66113.1168.100000110.1C3C3-G5 PolarHBondContact O-N 3.18Å
6G62.2Low67.7Low65 Ų65116.3 Ų116.367%0.6766%0.656SS**PPolyproline II helixtrans-75.5138.1174.200000111.4L4L4-G6 PolarHBondContact O-N 3.43Å
7K66.3Low69.1Low96 Ų96112.5 Ų112.542%0.41764%0.643SS.*PPolyproline II helixtrans-55.9142174.9-64.2-175.5-1741760111.8E11 R12 E15K7-E11 WeakPolarHBondContact CA-OE2 3.35Å; K7-E11 HydrophobicContact CB-CB 4.26Å; K7-E11 WeakPolarHBondContact CB-OE2 3.44Å; K7-R12 HydrophobicContact CB-CG 4.17Å; K7-R12 PolarHBondContact O-NE 3.35Å; K7-E15 IonicContact NZ-OE1 3.9Å; K7-E15 PolarHBondContact NZ-OE1 3.09Å; K7-E15 IonicContact NZ-OE2 2.8Å; K7-E15 PolarHBondContact NZ-OE2 3.26Å
8T76.8Confident70.3Confident76 Ų76113.4 Ų113.447%0.46664%0.638SS.*PPolyproline II helixtrans-66.8158.9176.565.40000111.1E10 E11 R12T8-E10 VanDerWaalsContact C-N 3.29Å; T8-E10 PolarHBondContact O-N 3.37Å; T8-E11 PolarHBondContact N-OE2 2.92Å; T8-E11 WeakPolarHBondContact O-CB 3.41Å; T8-E11 PolarHBondContact O-N 3.02Å; T8-E11 WeakPolarHBondContact OG1-CB 3.24Å; T8-E11 VanDerWaalsContact OG1-CD 3.3Å; T8-E11 WeakPolarHBondContact OG1-CG 3.41Å; T8-E11 PolarHBondContact OG1-N 2.79Å; T8-E11 PolarHBondContact OG1-OE2 3.28Å; T8-R12 WeakPolarHBondContact O-CG 3.27Å; T8-R12 PolarHBondContact O-N 2.9Å
9D74.2Confident71.5Confident118 Ų118116.7 Ų116.763%0.63164%0.64SS**Hα-helixtrans-65.4-31.8-178.5-73.4-34.1000112.7R12 L13D9-R12 PolarHBondContact O-N 3.04Å; D9-L13 VanDerWaalsContact O-CG 3.3Å; D9-L13 WeakPolarHBondContact O-CG 3.42Å; D9-L13 PolarHBondContact O-N 2.94Å
10E73.6Confident72.6Confident162 Ų162115.7 Ų115.776%0.75763%0.63SS**Hα-helixtrans-65-43.5171.5-72.8-175.2161.500112T8 R12 L13 D14T8-E10 VanDerWaalsContact C-N 3.29Å; T8-E10 PolarHBondContact O-N 3.37Å; E10-R12 VanDerWaalsContact C-N 3.29Å; E10-R12 PolarHBondContact O-N 2.93Å; E10-L13 PolarHBondContact O-N 2.81Å; E10-D14 PolarHBondContact O-N 2.65Å
11E76.6Confident73.6Confident101 Ų101112.4 Ų112.447%0.47262%0.619SS.*Hα-helixtrans-62.4-36.6174.8-73.9169.716900111.9K7 T8 E15K7-E11 WeakPolarHBondContact CA-OE2 3.35Å; K7-E11 HydrophobicContact CB-CB 4.26Å; K7-E11 WeakPolarHBondContact CB-OE2 3.44Å; T8-E11 PolarHBondContact N-OE2 2.92Å; T8-E11 WeakPolarHBondContact O-CB 3.41Å; T8-E11 PolarHBondContact O-N 3.02Å; T8-E11 WeakPolarHBondContact OG1-CB 3.24Å; T8-E11 VanDerWaalsContact OG1-CD 3.3Å; T8-E11 WeakPolarHBondContact OG1-CG 3.41Å; T8-E11 PolarHBondContact OG1-N 2.79Å; T8-E11 PolarHBondContact OG1-OE2 3.28Å; E11-E15 WeakPolarHBondContact O-CB 3.2Å; E11-E15 WeakPolarHBondContact O-CG 3.38Å; E11-E15 PolarHBondContact O-N 2.91Å
12R77.2Confident76Confident142 Ų142104.6 Ų104.654%0.53658%0.582SS.*Hα-helixtrans-69.3-38.2176.1-70.7173.6178-166.4-4.8112.3K7 T8 D9 E10 K16K7-R12 HydrophobicContact CB-CG 4.17Å; K7-R12 PolarHBondContact O-NE 3.35Å; T8-R12 WeakPolarHBondContact O-CG 3.27Å; T8-R12 PolarHBondContact O-N 2.9Å; D9-R12 PolarHBondContact O-N 3.04Å; E10-R12 VanDerWaalsContact C-N 3.29Å; E10-R12 PolarHBondContact O-N 2.93Å; R12-K16 WeakPolarHBondContact O-CB 3.16Å; R12-K16 PolarHBondContact O-N 3.35Å
13L78.2Confident78.6Confident118 Ų118108.2 Ų108.262%0.61858%0.575SS**Hα-helixtrans-68.1-42.5175.9-73.6170.1000111.5D9 E10 K16 A17D9-L13 VanDerWaalsContact O-CG 3.3Å; D9-L13 WeakPolarHBondContact O-CG 3.42Å; D9-L13 PolarHBondContact O-N 2.94Å; E10-L13 PolarHBondContact O-N 2.81Å; L13-K16 PolarHBondContact O-N 3.08Å; L13-A17 WeakPolarHBondContact O-CB 3.47Å; L13-A17 PolarHBondContact O-N 3.16Å
14D85.3Confident80.9Confident79 Ų79109.3 Ų109.342%0.42257%0.565SS.*Hα-helixtrans-65.6-42.2175-176.949.6000111.9E10 K16 A17 K18E10-D14 PolarHBondContact O-N 2.65Å; D14-K16 VanDerWaalsContact C-N 3.31Å; D14-K16 PolarHBondContact O-N 3.39Å; D14-A17 PolarHBondContact O-N 2.88Å; D14-K18 WeakPolarHBondContact O-CB 3.28Å; D14-K18 WeakPolarHBondContact O-CG 3.41Å; D14-K18 PolarHBondContact O-N 3.44Å; D14-K18 IonicContact OD1-NZ 3.96Å; D14-K18 WeakPolarHBondContact OD2-CE 3.34Å; D14-K18 IonicContact OD2-NZ 3.47Å; D14-K18 PolarHBondContact OD2-NZ 3.05Å
15E87.1Confident82.9Confident68 Ų68105.5 Ų105.532%0.31855%0.545SS..Hα-helixtrans-61.7-38.6172.6-81.6-162.3149.700112.7K7 E11 R19K7-E15 IonicContact NZ-OE1 3.9Å; K7-E15 PolarHBondContact NZ-OE1 3.09Å; K7-E15 IonicContact NZ-OE2 2.8Å; K7-E15 PolarHBondContact NZ-OE2 3.26Å; E11-E15 WeakPolarHBondContact O-CB 3.2Å; E11-E15 WeakPolarHBondContact O-CG 3.38Å; E11-E15 PolarHBondContact O-N 2.91Å; E15-R19 WeakPolarHBondContact O-CB 3.42Å; E15-R19 VanDerWaalsContact O-CG 3.23Å; E15-R19 WeakPolarHBondContact O-CG 3.26Å; E15-R19 PolarHBondContact O-N 3.27Å
16K87.6Confident84.9Confident124 Ų124106.9 Ų106.954%0.53953%0.53SS..Hα-helixtrans-65.8-44.7175.9-172.3-178.8175.4-172.80111R12 L13 D14 K18 R19 E20R12-K16 WeakPolarHBondContact O-CB 3.16Å; R12-K16 PolarHBondContact O-N 3.35Å; L13-K16 PolarHBondContact O-N 3.08Å; D14-K16 VanDerWaalsContact C-N 3.31Å; D14-K16 PolarHBondContact O-N 3.39Å; K16-K18 PolarHBondContact O-N 3.24Å; K16-R19 PolarHBondContact O-N 2.6Å; K16-E20 VanDerWaalsContact CE-OE1 3.29Å; K16-E20 WeakPolarHBondContact CE-OE1 3.28Å; K16-E20 WeakPolarHBondContact O-CG 3.41Å; K16-E20 PolarHBondContact O-N 2.83Å
17A90.6Very high86.4Confident53 Ų53111.4 Ų111.444%0.43853%0.531SS..Hα-helixtrans-61.3-44176.400000111.9L13 D14 E20 A21L13-A17 WeakPolarHBondContact O-CB 3.47Å; L13-A17 PolarHBondContact O-N 3.16Å; D14-A17 PolarHBondContact O-N 2.88Å; A17-E20 PolarHBondContact O-N 3.35Å; A17-A21 WeakPolarHBondContact O-CB 3.37Å; A17-A21 PolarHBondContact O-N 3.04Å
18K91.5Very high87.8Confident129 Ų129111.4 Ų111.456%0.56153%0.533SS*.Hα-helixtrans-61.4-42.9174.1-75.7170.1176.6163.60112.3D14 K16 A21 N22D14-K18 WeakPolarHBondContact O-CB 3.28Å; D14-K18 WeakPolarHBondContact O-CG 3.41Å; D14-K18 PolarHBondContact O-N 3.44Å; D14-K18 IonicContact OD1-NZ 3.96Å; D14-K18 WeakPolarHBondContact OD2-CE 3.34Å; D14-K18 IonicContact OD2-NZ 3.47Å; D14-K18 PolarHBondContact OD2-NZ 3.05Å; K16-K18 PolarHBondContact O-N 3.24Å; K18-A21 PolarHBondContact O-N 2.72Å; K18-N22 WeakPolarHBondContact O-CB 3.37Å; K18-N22 PolarHBondContact O-N 3.39Å
19R92.6Very high88.7Confident175 Ų175112.5 Ų112.566%0.6654%0.535SS*.Hα-helixtrans-63.8-41.5175.6-76174.2-174.7-171.24.1112.1E15 K16 N22 K23E15-R19 WeakPolarHBondContact O-CB 3.42Å; E15-R19 VanDerWaalsContact O-CG 3.23Å; E15-R19 WeakPolarHBondContact O-CG 3.26Å; E15-R19 PolarHBondContact O-N 3.27Å; K16-R19 PolarHBondContact O-N 2.6Å; R19-N22 PolarHBondContact O-N 3.23Å; R19-K23 VanDerWaalsContact O-CB 3.3Å; R19-K23 WeakPolarHBondContact O-CB 3.47Å; R19-K23 PolarHBondContact O-N 2.93Å
20E93.8Very high89.6Confident97 Ų97112.8 Ų112.845%0.45353%0.532SS..Hα-helixtrans-67.3-41.8177.1-74.4-178.8-169.500112.1K16 A17 K23 K24K16-E20 VanDerWaalsContact CE-OE1 3.29Å; K16-E20 WeakPolarHBondContact CE-OE1 3.28Å; K16-E20 WeakPolarHBondContact O-CG 3.41Å; K16-E20 PolarHBondContact O-N 2.83Å; A17-E20 PolarHBondContact O-N 3.35Å; E20-K23 PolarHBondContact O-N 3.47Å; E20-K24 WeakPolarHBondContact O-CG 3.46Å; E20-K24 PolarHBondContact O-N 2.88Å
21A93.6Very high90.5Very high47 Ų47111.8 Ų111.839%0.38853%0.526SS..Hα-helixtrans-61.7-47.4173.400000111.3A17 K18 K23 K24 I25A17-A21 WeakPolarHBondContact O-CB 3.37Å; A17-A21 PolarHBondContact O-N 3.04Å; K18-A21 PolarHBondContact O-N 2.72Å; A21-K23 PolarHBondContact O-N 3.43Å; A21-K24 WeakPolarHBondContact O-CB 3.5Å; A21-K24 PolarHBondContact O-N 3.31Å; A21-I25 WeakPolarHBondContact O-CG1 3.47Å; A21-I25 PolarHBondContact O-N 2.77Å
22N94.8Very high91.2Very high82 Ų82111.7 Ų111.744%0.43953%0.525SS..Hα-helixtrans-60.5-44.5177-169.829.9000111.5K18 R19 K24 I25 E26K18-N22 WeakPolarHBondContact O-CB 3.37Å; K18-N22 PolarHBondContact O-N 3.39Å; R19-N22 PolarHBondContact O-N 3.23Å; N22-K24 VanDerWaalsContact C-N 3.3Å; N22-K24 PolarHBondContact O-N 2.82Å; N22-I25 PolarHBondContact O-N 3.43Å; N22-I25 VanDerWaalsContact O-N 3.12Å; N22-E26 PolarHBondContact ND2-OE1 2.75Å; N22-E26 WeakPolarHBondContact O-CG 3.28Å; N22-E26 PolarHBondContact O-N 2.98Å
23K95.3Very high91.8Very high153 Ų153113.3 Ų113.367%0.66553%0.531SS*.Hα-helixtrans-60.8-36.8176.3-172.9176.7-178.6178.40112.8R19 E20 A21 K27R19-K23 VanDerWaalsContact O-CB 3.3Å; R19-K23 WeakPolarHBondContact O-CB 3.47Å; R19-K23 PolarHBondContact O-N 2.93Å; E20-K23 PolarHBondContact O-N 3.47Å; A21-K23 PolarHBondContact O-N 3.43Å; K23-K27 WeakPolarHBondContact O-CB 3.4Å; K23-K27 PolarHBondContact O-N 3.3Å; K23-K27 VanDerWaalsContact O-N 3.11Å
24K95.3Very high92.3Very high154 Ų154113.6 Ų113.667%0.6753%0.529SS*.Hα-helixtrans-66-43.4174.2-74.8174.8-177.9175.50111.3E20 A21 N22 K27 Q28E20-K24 WeakPolarHBondContact O-CG 3.46Å; E20-K24 PolarHBondContact O-N 2.88Å; A21-K24 WeakPolarHBondContact O-CB 3.5Å; A21-K24 PolarHBondContact O-N 3.31Å; N22-K24 VanDerWaalsContact C-N 3.3Å; N22-K24 PolarHBondContact O-N 2.82Å; K24-K27 PolarHBondContact O-N 2.78Å; K24-Q28 PolarHBondContact O-N 3.14Å
25I94.9Very high92.5Very high97 Ų97112.2 Ų112.250%0.49753%0.529SS..Hα-helixtrans-63.1-49177.1-66.9165.7000110.6A21 N22 K27 Q28 L29A21-I25 WeakPolarHBondContact O-CG1 3.47Å; A21-I25 PolarHBondContact O-N 2.77Å; N22-I25 PolarHBondContact O-N 3.43Å; N22-I25 VanDerWaalsContact O-N 3.12Å; I25-K27 VanDerWaalsContact C-N 3.31Å; I25-K27 PolarHBondContact O-N 3.08Å; I25-Q28 WeakPolarHBondContact O-CB 3.38Å; I25-Q28 PolarHBondContact O-N 3.14Å; I25-Q28 VanDerWaalsContact O-N 3.09Å; I25-L29 HydrophobicContact CG2-CD1 3.81Å; I25-L29 HydrophobicContact CG2-CG 4.18Å; I25-L29 WeakPolarHBondContact O-CG 3.36Å; I25-L29 PolarHBondContact O-N 2.96Å
26E95.1Very high92.6Very high109 Ų109113.9 Ų113.951%0.50953%0.533SS..Hα-helixtrans-57.7-42.7178.1-74.9176.4-176.500112.1N22 Q28 L29 Q30N22-E26 PolarHBondContact ND2-OE1 2.75Å; N22-E26 WeakPolarHBondContact O-CG 3.28Å; N22-E26 PolarHBondContact O-N 2.98Å; E26-Q28 VanDerWaalsContact C-N 3.35Å; E26-Q28 PolarHBondContact O-N 2.89Å; E26-L29 PolarHBondContact O-N 3.09Å; E26-Q30 WeakPolarHBondContact O-CB 3.24Å; E26-Q30 PolarHBondContact O-N 2.71Å
27K94.9Very high92.6Very high159 Ų159112.6 Ų112.669%0.69153%0.527SS*.Hα-helixtrans-64.3-39.5176.4-170.1177.8-179.1-178.40112K23 K24 I25 K31K23-K27 WeakPolarHBondContact O-CB 3.4Å; K23-K27 PolarHBondContact O-N 3.3Å; K23-K27 VanDerWaalsContact O-N 3.11Å; K24-K27 PolarHBondContact O-N 2.78Å; I25-K27 VanDerWaalsContact C-N 3.31Å; I25-K27 PolarHBondContact O-N 3.08Å; K27-K31 PolarHBondContact O-N 2.93Å; K27-K31 VanDerWaalsContact O-N 3.16Å
28Q94.8Very high92.5Very high97 Ų97112.5 Ų112.545%0.45353%0.527SS..Hα-helixtrans-66.2-47.4176.2-177.861.722.100111.2K24 I25 E26 Q30 K31 E32K24-Q28 PolarHBondContact O-N 3.14Å; I25-Q28 WeakPolarHBondContact O-CB 3.38Å; I25-Q28 PolarHBondContact O-N 3.14Å; I25-Q28 VanDerWaalsContact O-N 3.09Å; E26-Q28 VanDerWaalsContact C-N 3.35Å; E26-Q28 PolarHBondContact O-N 2.89Å; Q28-Q30 VanDerWaalsContact C-N 3.3Å; Q28-Q30 PolarHBondContact O-N 2.75Å; Q28-K31 WeakPolarHBondContact O-CB 3.39Å; Q28-K31 PolarHBondContact O-N 3.13Å; Q28-K31 VanDerWaalsContact O-N 3.12Å; Q28-E32 WeakPolarHBondContact CG-OE1 3.49Å; Q28-E32 PolarHBondContact NE2-OE1 3.38Å; Q28-E32 WeakPolarHBondContact O-CG 3.44Å; Q28-E32 PolarHBondContact O-N 3.12Å
29L94.9Very high92.6Very high99 Ų99107.6 Ų107.652%0.51851%0.508SS..Hα-helixtrans-59.8-39.1176.6-71.4173.8000112.1I25 E26 E32 R33I25-L29 HydrophobicContact CG2-CD1 3.81Å; I25-L29 HydrophobicContact CG2-CG 4.18Å; I25-L29 WeakPolarHBondContact O-CG 3.36Å; I25-L29 PolarHBondContact O-N 2.96Å; E26-L29 PolarHBondContact O-N 3.09Å; L29-E32 PolarHBondContact O-N 2.69Å; L29-R33 VanDerWaalsContact O-CB 3.23Å; L29-R33 WeakPolarHBondContact O-CB 3.48Å; L29-R33 PolarHBondContact O-N 2.89Å
30Q94Very high92.7Very high123 Ų12399.5 Ų99.558%0.57548%0.478SS*.Hα-helixtrans-63.7-42.9175.9-172.2178.210.800111.6E26 Q28 R33 Q34E26-Q30 WeakPolarHBondContact O-CB 3.24Å; E26-Q30 PolarHBondContact O-N 2.71Å; Q28-Q30 VanDerWaalsContact C-N 3.3Å; Q28-Q30 PolarHBondContact O-N 2.75Å; Q30-R33 PolarHBondContact O-N 2.88Å; Q30-Q34 WeakPolarHBondContact O-CG 3.3Å; Q30-Q34 PolarHBondContact O-N 3.05Å
31K92.3Very high92.7Very high142 Ų14295.5 Ų95.562%0.61746%0.458SS*.Hα-helixtrans-65-44.4177.2-171-178.7178.8-175.30111.5K27 Q28 Q34 A35K27-K31 PolarHBondContact O-N 2.93Å; K27-K31 VanDerWaalsContact O-N 3.16Å; Q28-K31 WeakPolarHBondContact O-CB 3.39Å; Q28-K31 PolarHBondContact O-N 3.13Å; Q28-K31 VanDerWaalsContact O-N 3.12Å; K31-Q34 PolarHBondContact O-N 2.86Å; K31-A35 PolarHBondContact O-N 3.41Å
32E91.2Very high92.8Very high99 Ų9993.3 Ų93.346%0.46344%0.44SS..Hα-helixtrans-63.1-41.2176.2-73.4173.7-17200111.7Q28 L29 Q34 A35 Y36Q28-E32 WeakPolarHBondContact CG-OE1 3.49Å; Q28-E32 PolarHBondContact NE2-OE1 3.38Å; Q28-E32 WeakPolarHBondContact O-CG 3.44Å; Q28-E32 PolarHBondContact O-N 3.12Å; L29-E32 PolarHBondContact O-N 2.69Å; E32-Q34 VanDerWaalsContact C-N 3.34Å; E32-Q34 PolarHBondContact O-N 2.95Å; E32-A35 PolarHBondContact O-N 3.5Å; E32-Y36 VanDerWaalsContact O-CB 3.24Å; E32-Y36 WeakPolarHBondContact O-CB 3.08Å; E32-Y36 PolarHBondContact O-N 3.04Å
33R89.9Confident92.9Very high176 Ų17689.4 Ų89.466%0.66442%0.419SS*.Hα-helixtrans-63.3-39176.2-169176.1-172.7-172.91.4112.1L29 Q30 K37L29-R33 VanDerWaalsContact O-CB 3.23Å; L29-R33 WeakPolarHBondContact O-CB 3.48Å; L29-R33 PolarHBondContact O-N 2.89Å; Q30-R33 PolarHBondContact O-N 2.88Å; R33-K37 WeakPolarHBondContact O-CB 3.13Å; R33-K37 WeakPolarHBondContact O-CG 3.49Å; R33-K37 PolarHBondContact O-N 3.04Å
34Q88.9Confident93Very high123 Ų12382.1 Ų82.158%0.57539%0.387SS*.Hα-helixtrans-65.9-46.3174.5-74.7177-8.100111.5Q30 K31 E32 Y36 K37 A38Q30-Q34 WeakPolarHBondContact O-CG 3.3Å; Q30-Q34 PolarHBondContact O-N 3.05Å; K31-Q34 PolarHBondContact O-N 2.86Å; E32-Q34 VanDerWaalsContact C-N 3.34Å; E32-Q34 PolarHBondContact O-N 2.95Å; Q34-Y36 VanDerWaalsContact C-N 3.33Å; Q34-Y36 PolarHBondContact O-N 3.4Å; Q34-K37 PolarHBondContact O-N 2.93Å; Q34-A38 WeakPolarHBondContact O-CB 3.47Å; Q34-A38 PolarHBondContact O-N 3Å
35A88.8Confident93.1Very high50 Ų5074.8 Ų74.841%0.41336%0.355SS..Hα-helixtrans-61.6-42.2177.200000111.8K31 E32 A38 T39K31-A35 PolarHBondContact O-N 3.41Å; E32-A35 PolarHBondContact O-N 3.5Å; A35-A38 PolarHBondContact O-N 3.11Å; A35-T39 PolarHBondContact O-N 3.49Å; A35-T39 PolarHBondContact O-OG1 3.35Å
36Y88.9Confident93.2Very high104 Ų10470.1 Ų70.141%0.40833%0.332SS..Hα-helixtrans-61.8-46.6176.4-178.3-91.8000111.9E32 Q34 A38 T39 R41 D224E32-Y36 VanDerWaalsContact O-CB 3.24Å; E32-Y36 WeakPolarHBondContact O-CB 3.08Å; E32-Y36 PolarHBondContact O-N 3.04Å; Q34-Y36 VanDerWaalsContact C-N 3.33Å; Q34-Y36 PolarHBondContact O-N 3.4Å; Y36-A38 VanDerWaalsContact C-N 3.26Å; Y36-A38 PolarHBondContact O-N 3.34Å; Y36-T39 PolarHBondContact O-N 3.28Å; Y36-T39 VanDerWaalsContact O-N 3.16Å; Y36-R41 VanDerWaalsContact OH-CZ 3.29Å; Y36-R41 PolarHBondContact OH-NH1 3.4Å; Y36-R41 PolarHBondContact OH-NH2 3Å; Y36-D224 PolarHBondContact OH-OD2 2.98Å; Y36-D224 VanDerWaalsContact OH-OD2 3.08Å
37K87.8Confident93.2Very high96 Ų9665.5 Ų65.542%0.41731%0.312SS..Hα-helixtrans-63-31.2175.5-76.7-173.3175.9-164.90112.9R33 Q34 T39 H371 Y375R33-K37 WeakPolarHBondContact O-CB 3.13Å; R33-K37 WeakPolarHBondContact O-CG 3.49Å; R33-K37 PolarHBondContact O-N 3.04Å; Q34-K37 PolarHBondContact O-N 2.93Å; K37-T39 VanDerWaalsContact C-N 3.27Å; K37-T39 PolarHBondContact O-N 3.23Å; K37-H371 PolarHBondContact O-CE1 2.93Å; K37-H371 PolarHBondContact O-NE2 2.97Å; K37-Y375 HydrophobicContact CD-CE1 4.21Å; K37-Y375 HydrophobicContact CG-CE1 3.91Å
38A89.1Confident93.1Very high52 Ų5259 Ų5943%0.4329%0.29SS..THydrogen-bonded Turntrans-83.71.2178.300000113.9Q34 A35 Y36Q34-A38 WeakPolarHBondContact O-CB 3.47Å; Q34-A38 PolarHBondContact O-N 3Å; A35-A38 PolarHBondContact O-N 3.11Å; Y36-A38 VanDerWaalsContact C-N 3.26Å; Y36-A38 PolarHBondContact O-N 3.34Å
39T93.3Very high93Very high25 Ų2555.2 Ų55.215%0.15327%0.272CS..EExtended strand (participates in β ladder)trans-102.8123.2-175.6-59.60000111A35 Y36 K37 R41 N202 H204A35-T39 PolarHBondContact O-N 3.49Å; A35-T39 PolarHBondContact O-OG1 3.35Å; Y36-T39 PolarHBondContact O-N 3.28Å; Y36-T39 VanDerWaalsContact O-N 3.16Å; K37-T39 VanDerWaalsContact C-N 3.27Å; K37-T39 PolarHBondContact O-N 3.23Å; T39-R41 HydrophobicContact CG2-CG 4.44Å; T39-N202 WeakPolarHBondContact CA-O 3.48Å; T39-N202 HydrophobicContact CG2-CB 4.32Å; T39-H204 HydrophobicContact CG2-CB 3.54Å
40H94.4Very high93.1Very high6 Ų650.5 Ų50.53%0.02825%0.248CC..EExtended strand (participates in β ladder)trans-82.2117.9175.6-65.269.7000109.2V201 N202 F203 H204 I367 Q368 H371H40-V201 WeakPolarHBondContact CE1-CG1 3.43Å; H40-V201 WeakPolarHBondContact ND1-CG1 3.23Å; H40-N202 PolarHBondContact N-O 3.17Å; H40-F203 HydrophobicContact CB-CD1 3.77Å; H40-F203 HydrophobicContact CB-CE1 3.89Å; H40-F203 CarbonylContact O-C 3.58Å; H40-F203 WeakPolarHBondContact O-CA 3.34Å; H40-H204 PolarHBondContact O-N 2.83Å; H40-I367 HydrophobicContact CB-CG2 4.05Å; H40-I367 VanDerWaalsContact CD2-CG2 3.47Å; H40-I367 WeakPolarHBondContact CD2-CG2 3.22Å; H40-Q368 PolarHBondContact CE1-OE1 2.88Å; H40-Q368 PolarHBondContact NE2-OE1 3.28Å; H40-H371 VanDerWaalsContact CD2-CB 3.42Å; H40-H371 WeakPolarHBondContact CD2-CB 3.18Å; H40-H371 AromaticContact CD2-CG 3.56Å; H40-H371 AromaticContact CD2-ND1 3.78Å; H40-H371 AromaticContact CE1-CD2 3.86Å; H40-H371 AromaticContact CE1-CG 3.94Å; H40-H371 VanDerWaalsContact NE2-CB 3.3Å; H40-H371 WeakPolarHBondContact NE2-CB 3.38Å; H40-H371 AromaticContact NE2-CD2 3.62Å; H40-H371 AromaticContact NE2-CG 3.36Å; H40-H371 AromaticContact NE2-ND1 3.95Å
41R94.7Very high93.2Very high13 Ų1345.2 Ų45.25%0.04923%0.226CC..EExtended strand (participates in β ladder)trans-100.9120.8-175.7-77174.5-69166.9-11.8111Y36 T39 H204 F206 N223 D224 V225 T226 A227Y36-R41 VanDerWaalsContact OH-CZ 3.29Å; Y36-R41 PolarHBondContact OH-NH1 3.4Å; Y36-R41 PolarHBondContact OH-NH2 3Å; T39-R41 HydrophobicContact CG2-CG 4.44Å; R41-H204 CarbonylContact C-O 3.57Å; R41-H204 VanDerWaalsContact CA-O 3.32Å; R41-H204 WeakPolarHBondContact CA-O 3.42Å; R41-H204 HydrophobicContact CG-CB 4.04Å; R41-F206 HydrophobicContact CB-CE2 4.13Å; R41-F206 HydrophobicContact CG-CE2 4.11Å; R41-N223 PolarHBondContact NH1-O 3.38Å; R41-D224 PolarHBondContact NE-O 3.34Å; R41-D224 VanDerWaalsContact NE-O 3.13Å; R41-D224 VanDerWaalsContact NH1-CB 3.28Å; R41-D224 PolarHBondContact NH1-O 3.13Å; R41-D224 PolarHBondContact NH2-O 3.36Å; R41-V225 WeakPolarHBondContact O-CG1 3.27Å; R41-T226 PolarHBondContact N-OG1 3.08Å; R41-T226 VanDerWaalsContact N-OG1 3.15Å; R41-T226 WeakPolarHBondContact O-CA 3.26Å; R41-T226 WeakPolarHBondContact O-CB 3.46Å; R41-T226 PolarHBondContact O-N 2.57Å; R41-A227 PolarHBondContact O-N 2.99Å
42L96.1Very high93.4Very high0 Ų038.9 Ų38.90%020%0.198CC..EExtended strand (participates in β ladder)trans-117.7120.2-173-57.7179.2000109.5F203 H204 M205 F206 A227 I229 F360 I367L42-F203 HydrophobicContact CD1-CD1 3.75Å; L42-F203 HydrophobicContact CD1-CE1 4.31Å; L42-F203 HydrophobicContact CG-CD1 4.37Å; L42-H204 PolarHBondContact N-O 2.61Å; L42-M205 HydrophobicContact CD1-CE 4.14Å; L42-M205 CarbonylContact O-C 3.59Å; L42-M205 WeakPolarHBondContact O-CA 3.46Å; L42-F206 PolarHBondContact O-N 3.21Å; L42-A227 WeakPolarHBondContact CA-O 3.41Å; L42-A227 HydrophobicContact CD2-CB 3.91Å; L42-I229 HydrophobicContact CB-CD1 4.43Å; L42-I229 HydrophobicContact CD1-CD1 4.11Å; L42-F360 HydrophobicContact CD1-CE2 4.09Å; L42-F360 HydrophobicContact CD1-CZ 4.42Å; L42-I367 HydrophobicContact CD1-CD1 4.23Å; L42-I367 HydrophobicContact CD2-CD1 4.02Å; L42-I367 HydrophobicContact CD2-CG1 4.23Å; L42-I367 HydrophobicContact CD2-CG2 4.14Å
43L96.8Very high93.7Very high0 Ų035.4 Ų35.40%019%0.185CC..EExtended strand (participates in β ladder)trans-101.6121.9177.317959.3000110.1L45 F206 V208 C221 F222 V225 A227 I228 I229L43-L45 HydrophobicContact CD1-CD2 4.22Å; L43-L45 HydrophobicContact CD2-CD1 4.16Å; L43-L45 HydrophobicContact CD2-CD2 4Å; L43-L45 HydrophobicContact CD2-CG 4.15Å; L43-L45 HydrophobicContact CG-CD1 4.47Å; L43-L45 HydrophobicContact CG-CD2 3.87Å; L43-L45 HydrophobicContact CG-CG 3.95Å; L43-F206 HydrophobicContact CD1-CB 3.82Å; L43-V208 HydrophobicContact CD1-CG1 4.19Å; L43-C221 HydrophobicContact CD1-CB 3.6Å; L43-C221 HydrophobicContact CD2-CB 4.21Å; L43-F222 HydrophobicContact CD2-CD1 3.55Å; L43-F222 HydrophobicContact CD2-CE1 3.71Å; L43-V225 HydrophobicContact CB-CG1 3.85Å; L43-V225 HydrophobicContact CB-CG2 4.07Å; L43-V225 HydrophobicContact CD2-CG2 4.39Å; L43-A227 PolarHBondContact N-O 3.49Å; L43-A227 VanDerWaalsContact N-O 3.15Å; L43-I228 WeakPolarHBondContact O-CA 3.49Å; L43-I229 PolarHBondContact O-N 3.37Å
44L97.1Very high94Very high0 Ų028.3 Ų28.30%016%0.161CC..EExtended strand (participates in β ladder)trans-90.1117.4176.9-83.665.1000110.1K52 I55 V56 M205 F206 V208 I229L44-K52 HydrophobicContact CB-CB 4.25Å; L44-K52 HydrophobicContact CB-CD 4.23Å; L44-K52 HydrophobicContact CB-CG 4.21Å; L44-K52 HydrophobicContact CD2-CB 4.18Å; L44-K52 WeakPolarHBondContact CD2-O 3.38Å; L44-K52 WeakPolarHBondContact O-CD 3.43Å; L44-I55 HydrophobicContact CD2-CB 4.05Å; L44-I55 HydrophobicContact CD2-CG2 4.09Å; L44-V56 HydrophobicContact CD2-CG2 3.65Å; L44-M205 HydrophobicContact CD1-CE 4.36Å; L44-M205 HydrophobicContact CD1-CG 3.27Å; L44-M205 HydrophobicContact CD1-SD 3.56Å; L44-M205 VanDerWaalsContact CD1-SD 3.56Å; L44-M205 HydrophobicContact CD2-SD 4.02Å; L44-M205 HydrophobicContact CG-CG 4.5Å; L44-M205 HydrophobicContact CG-SD 4.45Å; L44-F206 PolarHBondContact N-O 3.46Å; L44-V208 VanDerWaalsContact O-CG2 3.3Å; L44-V208 WeakPolarHBondContact O-CG2 3.34Å; L44-I229 CarbonylContact C-O 3.52Å; L44-I229 WeakPolarHBondContact CA-O 3.45Å; L44-I229 HydrophobicContact CD1-CB 4.22Å; L44-I229 HydrophobicContact CD1-CD1 4.33Å; L44-I229 HydrophobicContact CG-CB 4.22Å; L44-I229 HydrophobicContact CG-CG2 4.49Å
45L97.4Very high94.4Very high0 Ų022.5 Ų22.50%013%0.134CC..EExtended strand (participates in β ladder)trans-119.7163.1177.2-61-177000110.9L43 V208 W218 I228 I229 F230 V231 I260L43-L45 HydrophobicContact CD1-CD2 4.22Å; L43-L45 HydrophobicContact CD2-CD1 4.16Å; L43-L45 HydrophobicContact CD2-CD2 4Å; L43-L45 HydrophobicContact CD2-CG 4.15Å; L43-L45 HydrophobicContact CG-CD1 4.47Å; L43-L45 HydrophobicContact CG-CD2 3.87Å; L43-L45 HydrophobicContact CG-CG 3.95Å; L45-V208 HydrophobicContact CD2-CG2 3.76Å; L45-W218 HydrophobicContact CD1-CE3 4.45Å; L45-W218 HydrophobicContact CD2-CD2 3.71Å; L45-W218 HydrophobicContact CD2-CE3 3.68Å; L45-W218 HydrophobicContact CD2-CG 4.13Å; L45-W218 HydrophobicContact CD2-CH2 4.47Å; L45-W218 HydrophobicContact CD2-CZ2 4.49Å; L45-W218 HydrophobicContact CD2-CZ3 4.08Å; L45-I228 HydrophobicContact CB-CG2 4.21Å; L45-I228 HydrophobicContact CD1-CD1 4.38Å; L45-I228 HydrophobicContact CD1-CG2 3.89Å; L45-I228 HydrophobicContact CG-CG2 4.07Å; L45-I229 PolarHBondContact N-O 3.46Å; L45-F230 HydrophobicContact CB-CD2 4.07Å; L45-F230 CarbonylContact O-C 3.58Å; L45-F230 WeakPolarHBondContact O-CA 3.34Å; L45-V231 PolarHBondContact O-N 3.13Å; L45-I260 HydrophobicContact CD1-CD1 3.71Å; L45-I260 HydrophobicContact CD1-CG1 4Å; L45-I260 HydrophobicContact CD1-CG2 4.01Å
46G97.3Very high94.7Very high0 Ų020.7 Ų20.70%012%0.118CC..  trans139.4164.7179.800000112.4K52 G210G46-K52 PolarHBondContact O-NZ 3.15Å; G46-G210 WeakPolarHBondContact O-CA 3.07Å
47A95.6Very high95Very high11 Ų1117.1 Ų17.19%0.09110%0.104CC..SBendtrans-57.5167.3-177.500000113.3S50 K52 E252A47-S50 WeakPolarHBondContact O-CB 3.39Å; A47-S50 PolarHBondContact O-N 3.15Å; A47-S50 PolarHBondContact O-OG 3.39Å; A47-K52 PolarHBondContact O-NZ 3.19Å; A47-E252 WeakPolarHBondContact CB-OE2 3.5Å
48G91.8Very high95.5Very high22 Ų2212.5 Ų12.523%0.2278%0.084CC..THydrogen-bonded Turntrans-54.9142.4167.700000110.9S50 G210G48-S50 PolarHBondContact O-N 2.98Å; G48-G210 PolarHBondContact N-O 3.41Å
49E92.3Very high95.7Very high18 Ų1810.1 Ų10.18%0.0846%0.064CC..THydrogen-bonded Turntrans62.415.9176.1-57.5-177.2162.800115.6G51 R185 R242 R249 K277E49-G51 VanDerWaalsContact C-N 3.32Å; E49-G51 PolarHBondContact O-N 2.81Å; E49-R185 IonicContact OE1-CZ 2.69Å; E49-R185 IonicContact OE1-NE 3.66Å; E49-R185 PolarHBondContact OE1-NE 3.32Å; E49-R185 IonicContact OE1-NH2 3.13Å; E49-R242 IonicContact OE1-CZ 2.93Å; E49-R242 IonicContact OE1-NE 3.87Å; E49-R242 PolarHBondContact OE1-NE 3.09Å; E49-R242 VanDerWaalsContact OE1-NE 3.1Å; E49-R242 IonicContact OE1-NH1 2.94Å; E49-R242 IonicContact OE1-NH2 3.39Å; E49-R242 PolarHBondContact OE1-NH2 2.82Å; E49-R242 IonicContact OE2-CZ 3.82Å; E49-R242 IonicContact OE2-NE 3.02Å; E49-R242 PolarHBondContact OE2-NE 2.67Å; E49-R242 IonicContact OE2-NH2 3.08Å; E49-R249 IonicContact OE2-CZ 3.46Å; E49-R249 IonicContact OE2-NH1 2.91Å; E49-R249 PolarHBondContact OE2-NH1 3.24Å; E49-R249 IonicContact OE2-NH2 3.92Å; E49-R249 PolarHBondContact OE2-NH2 3.02Å; E49-R249 VanDerWaalsContact OE2-NH2 3.09Å; E49-K277 WeakPolarHBondContact O-CE 3.4Å; E49-K277 PolarHBondContact O-NZ 3.07Å
50S96.6Very high95.8Very high1 Ų111.5 Ų11.51%0.0077%0.067CC..SBendtrans-68.6-26.2174.1450000114.3A47 G48 K52 V231 N276A47-S50 WeakPolarHBondContact O-CB 3.39Å; A47-S50 PolarHBondContact O-N 3.15Å; A47-S50 PolarHBondContact O-OG 3.39Å; G48-S50 PolarHBondContact O-N 2.98Å; S50-K52 PolarHBondContact OG-NZ 2.96Å; S50-K52 VanDerWaalsContact OG-NZ 3.17Å; S50-V231 WeakPolarHBondContact CB-O 3.39Å; S50-V231 VanDerWaalsContact O-CG1 3.26Å; S50-V231 WeakPolarHBondContact O-CG1 3.37Å; S50-N276 PolarHBondContact O-ND2 3.11Å
51G96.8Very high95.7Very high11 Ų1112.9 Ų12.911%0.1137%0.074CC..SBendtrans111.29.1-178.900000115.8E49 S53 T54 I55E49-G51 VanDerWaalsContact C-N 3.32Å; E49-G51 PolarHBondContact O-N 2.81Å; G51-S53 PolarHBondContact O-N 2.93Å; G51-T54 WeakPolarHBondContact O-CA 3.46Å; G51-T54 WeakPolarHBondContact O-CB 3.5Å; G51-T54 PolarHBondContact O-N 2.88Å; G51-I55 PolarHBondContact O-N 2.94Å
52K96.9Very high95.7Very high9 Ų913.5 Ų13.54%0.0398%0.078CC..Hα-helixtrans-49.1-56.7177.8-64.6-177.6-63.7-64.50113.6L44 G46 A47 S50 T54 I55 V56 D207 V208 V231L44-K52 HydrophobicContact CB-CB 4.25Å; L44-K52 HydrophobicContact CB-CD 4.23Å; L44-K52 HydrophobicContact CB-CG 4.21Å; L44-K52 HydrophobicContact CD2-CB 4.18Å; L44-K52 WeakPolarHBondContact CD2-O 3.38Å; L44-K52 WeakPolarHBondContact O-CD 3.43Å; G46-K52 PolarHBondContact O-NZ 3.15Å; A47-K52 PolarHBondContact O-NZ 3.19Å; S50-K52 PolarHBondContact OG-NZ 2.96Å; S50-K52 VanDerWaalsContact OG-NZ 3.17Å; K52-T54 PolarHBondContact O-N 2.99Å; K52-I55 WeakPolarHBondContact O-CB 3.5Å; K52-I55 PolarHBondContact O-N 2.82Å; K52-V56 PolarHBondContact O-N 2.77Å; K52-V56 VanDerWaalsContact O-N 3.13Å; K52-D207 VanDerWaalsContact CB-OD1 3.3Å; K52-D207 WeakPolarHBondContact CB-OD1 3.19Å; K52-V208 WeakPolarHBondContact CE-O 3.39Å; K52-V231 HydrophobicContact CG-CB 4.12Å; K52-V231 HydrophobicContact CG-CG2 3.98Å
53S96.3Very high95.5Very high27 Ų2716 Ų1619%0.1899%0.089CC..Hα-helixtrans-62.2-29.6179.6-47.70000112.5G51 V56 K57 T188 D207G51-S53 PolarHBondContact O-N 2.93Å; S53-V56 PolarHBondContact O-N 3.18Å; S53-K57 VanDerWaalsContact O-CG 3.26Å; S53-K57 WeakPolarHBondContact O-CG 3.35Å; S53-K57 PolarHBondContact O-N 2.97Å; S53-T188 PolarHBondContact OG-OG1 3.42Å; S53-D207 VanDerWaalsContact CA-OD2 3.3Å; S53-D207 WeakPolarHBondContact CA-OD2 3.22Å; S53-D207 VanDerWaalsContact CB-OD2 3.23Å; S53-D207 WeakPolarHBondContact CB-OD2 3.46Å; S53-D207 PolarHBondContact OG-OD2 3.14Å
54T97.1Very high95.1Very high26 Ų2618.6 Ų18.616%0.1611%0.106CC..Hα-helixtrans-67.7-40.4174.3-510000111.3G51 K52 V56 K57 Q58 L182 A350 I351G51-T54 WeakPolarHBondContact O-CA 3.46Å; G51-T54 WeakPolarHBondContact O-CB 3.5Å; G51-T54 PolarHBondContact O-N 2.88Å; K52-T54 PolarHBondContact O-N 2.99Å; T54-V56 VanDerWaalsContact C-N 3.31Å; T54-V56 PolarHBondContact O-N 3.14Å; T54-K57 WeakPolarHBondContact O-CB 3.29Å; T54-K57 PolarHBondContact O-N 2.96Å; T54-Q58 WeakPolarHBondContact O-CG 3.48Å; T54-Q58 PolarHBondContact O-N 2.92Å; T54-L182 HydrophobicContact CG2-CB 4.35Å; T54-L182 HydrophobicContact CG2-CD2 3.88Å; T54-A350 HydrophobicContact CG2-CB 3.8Å; T54-A350 VanDerWaalsContact CG2-O 3.3Å; T54-A350 WeakPolarHBondContact CG2-O 3.48Å; T54-I351 HydrophobicContact CG2-CG2 4.03Å
55I97.3Very high94.6Very high1 Ų126.9 Ų26.91%0.00515%0.15CC..Hα-helixtrans-60.2-41.5172.8-61.6-63.3000111.1L44 G51 K52 Q58 M59 F274 A350 I356L44-I55 HydrophobicContact CD2-CB 4.05Å; L44-I55 HydrophobicContact CD2-CG2 4.09Å; G51-I55 PolarHBondContact O-N 2.94Å; K52-I55 WeakPolarHBondContact O-CB 3.5Å; K52-I55 PolarHBondContact O-N 2.82Å; I55-Q58 WeakPolarHBondContact O-CB 3.49Å; I55-Q58 PolarHBondContact O-N 2.76Å; I55-M59 HydrophobicContact CG2-CE 4.49Å; I55-M59 WeakPolarHBondContact O-CG 3.26Å; I55-M59 PolarHBondContact O-N 3.21Å; I55-M59 VanDerWaalsContact O-N 3.08Å; I55-F274 HydrophobicContact CD1-CD2 4.04Å; I55-F274 HydrophobicContact CD1-CE2 4.19Å; I55-F274 HydrophobicContact CG1-CD2 4.31Å; I55-F274 HydrophobicContact CG2-CE2 4.37Å; I55-A350 HydrophobicContact CD1-CB 3.63Å; I55-A350 HydrophobicContact CG1-CB 4.22Å; I55-I356 HydrophobicContact CD1-CD1 3.43Å; I55-I356 VanDerWaalsContact CD1-CD1 3.43Å; I55-I356 HydrophobicContact CD1-CG1 4.06Å
56V95.4Very high94.2Very high12 Ų1227.3 Ų27.37%0.07315%0.154CC..Hα-helixtrans-64.1-43.4176.5178.60000111.6L44 K52 S53 T54 Q58 M59 R60 T194 M205 D207L44-V56 HydrophobicContact CD2-CG2 3.65Å; K52-V56 PolarHBondContact O-N 2.77Å; K52-V56 VanDerWaalsContact O-N 3.13Å; S53-V56 PolarHBondContact O-N 3.18Å; T54-V56 VanDerWaalsContact C-N 3.31Å; T54-V56 PolarHBondContact O-N 3.14Å; V56-Q58 VanDerWaalsContact C-N 3.26Å; V56-Q58 PolarHBondContact O-N 3.45Å; V56-M59 WeakPolarHBondContact O-CB 3.32Å; V56-M59 PolarHBondContact O-N 2.95Å; V56-M59 VanDerWaalsContact O-N 3.13Å; V56-R60 PolarHBondContact O-N 3.45Å; V56-R60 VanDerWaalsContact O-N 3.11Å; V56-T194 HydrophobicContact CG1-CG2 4.36Å; V56-T194 VanDerWaalsContact CG1-OG1 3.29Å; V56-T194 WeakPolarHBondContact CG1-OG1 3.04Å; V56-M205 HydrophobicContact CB-SD 4.41Å; V56-M205 HydrophobicContact CG2-CG 4.27Å; V56-M205 HydrophobicContact CG2-SD 3.66Å; V56-D207 HydrophobicContact CG2-CB 3.71Å
57K95.7Very high93.8Very high29 Ų2928.4 Ų28.413%0.12616%0.159CC..Hα-helixtrans-58.5-38.7173.6-68.2174.3-176.1178.10111.6S53 T54 R60 I61 F67 L181 L182 C184S53-K57 VanDerWaalsContact O-CG 3.26Å; S53-K57 WeakPolarHBondContact O-CG 3.35Å; S53-K57 PolarHBondContact O-N 2.97Å; T54-K57 WeakPolarHBondContact O-CB 3.29Å; T54-K57 PolarHBondContact O-N 2.96Å; K57-R60 WeakPolarHBondContact O-CB 3.43Å; K57-R60 PolarHBondContact O-N 3.03Å; K57-I61 WeakPolarHBondContact O-CG1 3.19Å; K57-I61 PolarHBondContact O-N 2.71Å; K57-F67 HydrophobicContact CB-CE2 4.46Å; K57-F67 HydrophobicContact CB-CZ 3.87Å; K57-F67 HydrophobicContact CD-CZ 4.48Å; K57-F67 HydrophobicContact CG-CZ 3.82Å; K57-L181 WeakPolarHBondContact CD-O 3.49Å; K57-L181 WeakPolarHBondContact CE-O 3.5Å; K57-L181 PolarHBondContact NZ-O 2.82Å; K57-L182 HydrophobicContact CB-CD2 3.82Å; K57-C184 PolarHBondContact NZ-O 3.02Å
58Q96.6Very high93.6Very high0 Ų031.9 Ų31.90%018%0.176CC..Hα-helixtrans-62.3-42.6174.6-69.1-72.41500112T54 I55 V56 R60 I61 L62 L182 A350 T353 I356T54-Q58 WeakPolarHBondContact O-CG 3.48Å; T54-Q58 PolarHBondContact O-N 2.92Å; I55-Q58 WeakPolarHBondContact O-CB 3.49Å; I55-Q58 PolarHBondContact O-N 2.76Å; V56-Q58 VanDerWaalsContact C-N 3.26Å; V56-Q58 PolarHBondContact O-N 3.45Å; Q58-R60 PolarHBondContact O-N 3.2Å; Q58-I61 PolarHBondContact O-N 3.15Å; Q58-L62 WeakPolarHBondContact O-CB 3.43Å; Q58-L62 VanDerWaalsContact O-CG 3.25Å; Q58-L62 WeakPolarHBondContact O-CG 3.43Å; Q58-L62 PolarHBondContact O-N 3.37Å; Q58-L182 HydrophobicContact CG-CD2 3.73Å; Q58-A350 VanDerWaalsContact CG-O 3.25Å; Q58-A350 WeakPolarHBondContact CG-O 3.42Å; Q58-A350 PolarHBondContact NE2-O 3.28Å; Q58-T353 PolarHBondContact NE2-OG1 2.81Å; Q58-T353 PolarHBondContact OE1-OG1 3.04Å; Q58-I356 HydrophobicContact CB-CB 4.39Å; Q58-I356 HydrophobicContact CB-CG2 3.8Å; Q58-I356 HydrophobicContact CG-CB 4.29Å; Q58-I356 HydrophobicContact CG-CG1 4.15Å; Q58-I356 HydrophobicContact CG-CG2 4.18Å
59M94.9Very high93.5Very high1 Ų134.8 Ų34.81%0.00520%0.198CC..Hα-helixtrans-61.3-35.7176-61.7-59.811700112.2I55 V56 L62 H63 F196 M205 I356 F360I55-M59 HydrophobicContact CG2-CE 4.49Å; I55-M59 WeakPolarHBondContact O-CG 3.26Å; I55-M59 PolarHBondContact O-N 3.21Å; I55-M59 VanDerWaalsContact O-N 3.08Å; V56-M59 WeakPolarHBondContact O-CB 3.32Å; V56-M59 PolarHBondContact O-N 2.95Å; V56-M59 VanDerWaalsContact O-N 3.13Å; M59-L62 HydrophobicContact CE-CD1 4.44Å; M59-H63 WeakPolarHBondContact O-CB 3.48Å; M59-H63 PolarHBondContact O-N 2.98Å; M59-F196 HydrophobicContact CB-CD1 4.25Å; M59-F196 HydrophobicContact CB-CE1 4.03Å; M59-F196 HydrophobicContact CB-CZ 4.24Å; M59-F196 HydrophobicContact CG-CE1 4.06Å; M59-F196 HydrophobicContact CG-CZ 3.95Å; M59-F196 HydrophobicContact SD-CE1 4.44Å; M59-F196 HydrophobicContact SD-CE2 3.99Å; M59-F196 HydrophobicContact SD-CZ 3.73Å; M59-M205 HydrophobicContact CG-CE 3.45Å; M59-M205 VanDerWaalsContact CG-CE 3.45Å; M59-M205 HydrophobicContact CG-SD 3.97Å; M59-M205 HydrophobicContact SD-CE 4.1Å; M59-I356 HydrophobicContact CE-CG2 3.54Å; M59-F360 HydrophobicContact CE-CB 4.25Å; M59-F360 HydrophobicContact CE-CD2 3.93Å; M59-F360 HydrophobicContact CE-CG 4.05Å; M59-F360 HydrophobicContact SD-CD1 4.39Å; M59-F360 HydrophobicContact SD-CD2 3.93Å; M59-F360 HydrophobicContact SD-CE1 4.4Å; M59-F360 HydrophobicContact SD-CE2 3.94Å; M59-F360 HydrophobicContact SD-CG 4.17Å; M59-F360 HydrophobicContact SD-CZ 4.18Å
60R93.7Very high93.4Very high54 Ų5440.8 Ų40.820%0.20423%0.226CC..Hα-helixtrans-65.4-46.5174.2-68.1-17257-173.3-9.2112.4V56 K57 Q58 L62 V64 G66 E71 T194V56-R60 PolarHBondContact O-N 3.45Å; V56-R60 VanDerWaalsContact O-N 3.11Å; K57-R60 WeakPolarHBondContact O-CB 3.43Å; K57-R60 PolarHBondContact O-N 3.03Å; Q58-R60 PolarHBondContact O-N 3.2Å; R60-L62 VanDerWaalsContact C-N 3.33Å; R60-L62 PolarHBondContact O-N 2.9Å; R60-V64 HydrophobicContact CB-CB 4.45Å; R60-V64 CarbonylContact O-C 3.42Å; R60-V64 VanDerWaalsContact O-C 3.27Å; R60-V64 WeakPolarHBondContact O-CA 3.49Å; R60-V64 PolarHBondContact O-N 2.9Å; R60-G66 PolarHBondContact NH2-O 2.99Å; R60-G66 WeakPolarHBondContact O-CA 3.14Å; R60-G66 PolarHBondContact O-N 3.18Å; R60-E71 IonicContact CZ-OE1 2.59Å; R60-E71 VanDerWaalsContact CZ-OE1 3.24Å; R60-E71 IonicContact CZ-OE2 2.88Å; R60-E71 IonicContact NH1-OE1 2.66Å; R60-E71 PolarHBondContact NH1-OE1 3.38Å; R60-E71 IonicContact NH1-OE2 3.18Å; R60-E71 IonicContact NH2-OE1 3.45Å; R60-E71 PolarHBondContact NH2-OE1 3.04Å; R60-E71 IonicContact NH2-OE2 2.86Å; R60-E71 PolarHBondContact NH2-OE2 3.41Å; R60-T194 HydrophobicContact CG-CG2 3.96Å
61I93.9Very high93.1Very high36 Ų3643.1 Ų43.119%0.18524%0.237CC..Hα-helixtrans-61.3-43.4177.2-67.8165.1000111K57 Q58 F67 D178 L182 T353K57-I61 WeakPolarHBondContact O-CG1 3.19Å; K57-I61 PolarHBondContact O-N 2.71Å; Q58-I61 PolarHBondContact O-N 3.15Å; I61-F67 HydrophobicContact CD1-CE2 4.04Å; I61-F67 HydrophobicContact CG1-CD2 4.22Å; I61-F67 HydrophobicContact CG1-CE2 3.75Å; I61-D178 HydrophobicContact CD1-CB 4.04Å; I61-L182 HydrophobicContact CD1-CD1 3.97Å; I61-L182 HydrophobicContact CD1-CD2 3.89Å; I61-L182 HydrophobicContact CD1-CG 3.83Å; I61-T353 HydrophobicContact CG2-CG2 4.44Å
62L93.3Very high92.9Very high26 Ų2644.7 Ų44.714%0.13624%0.241CC..Hα-helixtrans-77.9-30.8-174.8-69.1171.3000113.6Q58 M59 R60 T353 I356 R357Q58-L62 WeakPolarHBondContact O-CB 3.43Å; Q58-L62 VanDerWaalsContact O-CG 3.25Å; Q58-L62 WeakPolarHBondContact O-CG 3.43Å; Q58-L62 PolarHBondContact O-N 3.37Å; M59-L62 HydrophobicContact CE-CD1 4.44Å; R60-L62 VanDerWaalsContact C-N 3.33Å; R60-L62 PolarHBondContact O-N 2.9Å; L62-T353 HydrophobicContact CD2-CG2 3.6Å; L62-T353 HydrophobicContact CG-CG2 4.18Å; L62-I356 HydrophobicContact CD1-CG2 4.37Å; L62-R357 HydrophobicContact CD1-CB 4.26Å; L62-R357 HydrophobicContact CD2-CB 4.24Å; L62-R357 HydrophobicContact CD2-CG 4.44Å; L62-R357 VanDerWaalsContact CD2-NH2 3.28Å
63H92.3Very high92.7Very high51 Ų5150.3 Ų50.324%0.23627%0.267CS..Hα-helixtrans-139.4-1.4-164.2-53.9-56.3000115.9M59 F196M59-H63 WeakPolarHBondContact O-CB 3.48Å; M59-H63 PolarHBondContact O-N 2.98Å; H63-F196 HydrophobicContact CB-CB 3.87Å; H63-F196 HydrophobicContact CB-CD2 3.85Å; H63-F196 HydrophobicContact CB-CG 4.19Å; H63-F196 AromaticContact CD2-CD2 3.73Å; H63-F196 AromaticContact CD2-CE2 3.9Å; H63-F196 AromaticContact CG-CD2 3.96Å
64V89.4Confident92.4Very high56 Ų5655.3 Ų55.334%0.33929%0.288SS..SBendtrans-137.944-175.5-160.90000111.3R60 G66 F196R60-V64 HydrophobicContact CB-CB 4.45Å; R60-V64 CarbonylContact O-C 3.42Å; R60-V64 VanDerWaalsContact O-C 3.27Å; R60-V64 WeakPolarHBondContact O-CA 3.49Å; R60-V64 PolarHBondContact O-N 2.9Å; V64-G66 PolarHBondContact O-N 2.93Å; V64-F196 HydrophobicContact CG2-CB 3.53Å
65D86.1Confident92.3Very high174 Ų17456.3 Ų56.393%0.9329%0.29SS*.  trans48.825.3178.1-58.5-37.7000114.8
66G87.9Confident92.2Very high9 Ų956.9 Ų56.99%0.09329%0.293CS..  trans64-129.2178.600000115.3R60 V64R60-G66 PolarHBondContact NH2-O 2.99Å; R60-G66 WeakPolarHBondContact O-CA 3.14Å; R60-G66 PolarHBondContact O-N 3.18Å; V64-G66 PolarHBondContact O-N 2.93Å
67F89.5Confident92.1Very high22 Ų2263.1 Ų63.110%0.09632%0.321CS..  trans-123131.9-175.7-62.2-89000109.8K57 I61 E71 K72 L181K57-F67 HydrophobicContact CB-CE2 4.46Å; K57-F67 HydrophobicContact CB-CZ 3.87Å; K57-F67 HydrophobicContact CD-CZ 4.48Å; K57-F67 HydrophobicContact CG-CZ 3.82Å; I61-F67 HydrophobicContact CD1-CE2 4.04Å; I61-F67 HydrophobicContact CG1-CD2 4.22Å; I61-F67 HydrophobicContact CG1-CE2 3.75Å; F67-E71 WeakPolarHBondContact CA-OE2 3.37Å; F67-K72 HydrophobicContact CB-CG 4.2Å; F67-K72 VanDerWaalsContact O-CE 3.31Å; F67-K72 WeakPolarHBondContact O-CE 3.32Å; F67-L181 HydrophobicContact CB-CD1 3.72Å; F67-L181 HydrophobicContact CD1-CD1 4.32Å; F67-L181 HydrophobicContact CD2-CB 4.45Å; F67-L181 HydrophobicContact CD2-CD1 3.36Å; F67-L181 HydrophobicContact CE2-CB 4.3Å; F67-L181 HydrophobicContact CE2-CD1 4.03Å; F67-L181 HydrophobicContact CG-CD1 3.54Å
68N91.1Very high92.1Very high84 Ų8463.9 Ų63.945%0.44933%0.326SS..  trans-78.9172.1-179.971.735.9000112E70 E71 K72N68-E70 VanDerWaalsContact C-N 3.33Å; N68-E70 PolarHBondContact O-N 2.96Å; N68-E70 PolarHBondContact OD1-N 3.18Å; N68-E70 VanDerWaalsContact OD1-N 3.1Å; N68-E71 PolarHBondContact N-OE2 3.31Å; N68-E71 PolarHBondContact O-N 3.07Å; N68-E71 WeakPolarHBondContact OD1-CG 3.44Å; N68-E71 PolarHBondContact OD1-N 3.08Å; N68-K72 WeakPolarHBondContact O-CG 3.18Å; N68-K72 PolarHBondContact O-N 3.41Å
69A90.4Very high92.2Very high84 Ų8463.9 Ų63.969%0.69433%0.326SS*.Hα-helixtrans-61.7-37.5-176.800000113.3K72 Q73A69-K72 PolarHBondContact O-N 2.61Å; A69-Q73 WeakPolarHBondContact O-CB 3.33Å; A69-Q73 PolarHBondContact O-N 2.72Å
70E90.8Very high92.3Very high143 Ų14366 Ų6667%0.66833%0.334SS*.Hα-helixtrans-67.3-43.7179.3-63176.3-178.300111.4N68 Q73 Q74N68-E70 VanDerWaalsContact C-N 3.33Å; N68-E70 PolarHBondContact O-N 2.96Å; N68-E70 PolarHBondContact OD1-N 3.18Å; N68-E70 VanDerWaalsContact OD1-N 3.1Å; E70-Q73 WeakPolarHBondContact O-CB 3.47Å; E70-Q73 PolarHBondContact O-N 2.92Å; E70-Q74 WeakPolarHBondContact O-CG 3.19Å; E70-Q74 PolarHBondContact O-N 3.31Å
71E90.1Very high92.4Very high50 Ų5068.4 Ų68.423%0.23435%0.346CS..Hα-helixtrans-63-43.3174.6-70.2178.5122.800111.2R60 F67 N68 Q73 Q74 K75R60-E71 IonicContact CZ-OE1 2.59Å; R60-E71 VanDerWaalsContact CZ-OE1 3.24Å; R60-E71 IonicContact CZ-OE2 2.88Å; R60-E71 IonicContact NH1-OE1 2.66Å; R60-E71 PolarHBondContact NH1-OE1 3.38Å; R60-E71 IonicContact NH1-OE2 3.18Å; R60-E71 IonicContact NH2-OE1 3.45Å; R60-E71 PolarHBondContact NH2-OE1 3.04Å; R60-E71 IonicContact NH2-OE2 2.86Å; R60-E71 PolarHBondContact NH2-OE2 3.41Å; F67-E71 WeakPolarHBondContact CA-OE2 3.37Å; N68-E71 PolarHBondContact N-OE2 3.31Å; N68-E71 PolarHBondContact O-N 3.07Å; N68-E71 WeakPolarHBondContact OD1-CG 3.44Å; N68-E71 PolarHBondContact OD1-N 3.08Å; E71-Q73 VanDerWaalsContact C-N 3.29Å; E71-Q73 PolarHBondContact O-N 2.7Å; E71-Q74 PolarHBondContact O-N 2.92Å; E71-K75 WeakPolarHBondContact O-CB 3.41Å; E71-K75 WeakPolarHBondContact O-CG 3.39Å; E71-K75 PolarHBondContact O-N 3.47Å
72K93Very high92.6Very high45 Ų4567 Ų6720%0.19634%0.339CS..Hα-helixtrans-59.9-41.4175.2-73.9-173.2-178.8-157.20111.2F67 N68 A69 K75 I76 D178 L181F67-K72 HydrophobicContact CB-CG 4.2Å; F67-K72 VanDerWaalsContact O-CE 3.31Å; F67-K72 WeakPolarHBondContact O-CE 3.32Å; N68-K72 WeakPolarHBondContact O-CG 3.18Å; N68-K72 PolarHBondContact O-N 3.41Å; A69-K72 PolarHBondContact O-N 2.61Å; K72-K75 PolarHBondContact O-N 3.44Å; K72-I76 PolarHBondContact O-N 3.35Å; K72-D178 IonicContact NZ-OD1 3.92Å; K72-D178 PolarHBondContact NZ-OD1 2.88Å; K72-L181 HydrophobicContact CG-CD1 4.05Å
73Q91.4Very high92.8Very high126 Ų12665.8 Ų65.859%0.58933%0.333SS*.Hα-helixtrans-63.2-45.7177.3-172.563.820.900112.2A69 E70 E71 K75 I76A69-Q73 WeakPolarHBondContact O-CB 3.33Å; A69-Q73 PolarHBondContact O-N 2.72Å; E70-Q73 WeakPolarHBondContact O-CB 3.47Å; E70-Q73 PolarHBondContact O-N 2.92Å; E71-Q73 VanDerWaalsContact C-N 3.29Å; E71-Q73 PolarHBondContact O-N 2.7Å; Q73-K75 PolarHBondContact O-N 2.99Å; Q73-I76 WeakPolarHBondContact O-CB 3.34Å; Q73-I76 PolarHBondContact O-N 2.83Å; Q73-I76 VanDerWaalsContact OE1-CD1 3.28Å
74Q90.3Very high93.1Very high133 Ų13363.8 Ų63.862%0.62132%0.323SS*.Hα-helixtrans-60.8-36.4176-69.9173.97.700111.5E70 E71 I76 Q77E70-Q74 WeakPolarHBondContact O-CG 3.19Å; E70-Q74 PolarHBondContact O-N 3.31Å; E71-Q74 PolarHBondContact O-N 2.92Å; Q74-I76 VanDerWaalsContact C-N 3.27Å; Q74-I76 PolarHBondContact O-N 3.25Å; Q74-Q77 PolarHBondContact O-N 3.04Å
75K94.7Very high93.5Very high47 Ų4764 Ų6420%0.20432%0.322CS..Hα-helixtrans-70.3-18.7-179.4-69.2-77.4160.3-138.80114E71 K72 Q73 Q77 D78 I79 L181E71-K75 WeakPolarHBondContact O-CB 3.41Å; E71-K75 WeakPolarHBondContact O-CG 3.39Å; E71-K75 PolarHBondContact O-N 3.47Å; K72-K75 PolarHBondContact O-N 3.44Å; Q73-K75 PolarHBondContact O-N 2.99Å; K75-Q77 VanDerWaalsContact C-N 3.3Å; K75-Q77 PolarHBondContact O-N 2.8Å; K75-D78 IonicContact NZ-OD2 3.24Å; K75-D78 PolarHBondContact NZ-OD2 3.38Å; K75-D78 PolarHBondContact O-N 2.96Å; K75-I79 WeakPolarHBondContact O-CB 3.3Å; K75-I79 WeakPolarHBondContact O-CD1 3.19Å; K75-I79 VanDerWaalsContact O-CG1 3.24Å; K75-I79 WeakPolarHBondContact O-CG1 3.13Å; K75-I79 PolarHBondContact O-N 3.19Å; K75-L181 HydrophobicContact CB-CD2 3.52Å; K75-L181 HydrophobicContact CD-CD2 4.34Å; K75-L181 HydrophobicContact CG-CD2 3.68Å
76I95.8Very high94.1Very high13 Ų1355.7 Ų55.77%0.06728%0.278CS..Hα-helixtrans-59-45173.9-65.6166.9000110.4K72 Q73 Q74 I79 R80 Y174 P176K72-I76 PolarHBondContact O-N 3.35Å; Q73-I76 WeakPolarHBondContact O-CB 3.34Å; Q73-I76 PolarHBondContact O-N 2.83Å; Q73-I76 VanDerWaalsContact OE1-CD1 3.28Å; Q74-I76 VanDerWaalsContact C-N 3.27Å; Q74-I76 PolarHBondContact O-N 3.25Å; I76-I79 PolarHBondContact O-N 3.04Å; I76-R80 WeakPolarHBondContact O-CG 3.47Å; I76-R80 PolarHBondContact O-N 3.47Å; I76-Y174 WeakPolarHBondContact CD1-O 3.38Å; I76-Y174 HydrophobicContact CG1-CD1 4.07Å; I76-Y174 HydrophobicContact CG1-CE1 4.41Å; I76-Y174 HydrophobicContact CG2-CD1 4.12Å; I76-P176 HydrophobicContact CG1-CG 3.7Å
77Q94Very high94.6Very high142 Ų14255.3 Ų55.366%0.66427%0.274SS*.Hα-helixtrans-65-42.6179.1-67.4-174.1-13.100111.4Q74 K75 I79 R80 K81Q74-Q77 PolarHBondContact O-N 3.04Å; K75-Q77 VanDerWaalsContact C-N 3.3Å; K75-Q77 PolarHBondContact O-N 2.8Å; Q77-I79 VanDerWaalsContact C-N 3.33Å; Q77-I79 PolarHBondContact O-N 2.85Å; Q77-R80 PolarHBondContact O-N 3.17Å; Q77-K81 VanDerWaalsContact O-CB 3.31Å; Q77-K81 WeakPolarHBondContact O-CB 3.48Å; Q77-K81 PolarHBondContact O-N 3.42Å
78D95.8Very high95Very high45 Ų4555.2 Ų55.224%0.24128%0.275CS..Hα-helixtrans-60.7-40.9175.7-71.2-30.8000112.1K75 K81 N82 C184 V186K75-D78 IonicContact NZ-OD2 3.24Å; K75-D78 PolarHBondContact NZ-OD2 3.38Å; K75-D78 PolarHBondContact O-N 2.96Å; D78-K81 WeakPolarHBondContact O-CB 3.42Å; D78-K81 PolarHBondContact O-N 3.45Å; D78-N82 PolarHBondContact O-N 2.95Å; D78-N82 PolarHBondContact O-ND2 3.27Å; D78-C184 VanDerWaalsContact CB-SG 3.55Å; D78-V186 HydrophobicContact CB-CG2 4.15Å; D78-V186 WeakPolarHBondContact OD2-CG2 3.38Å
79I97.6Very high95.3Very high0 Ų053.3 Ų53.30%027%0.267CS..Hα-helixtrans-67.5-46.3179.1-70.9163.4000110.9K75 I76 Q77 K81 N82 V83 F162 V169 Y174 P176 D180 C184K75-I79 WeakPolarHBondContact O-CB 3.3Å; K75-I79 WeakPolarHBondContact O-CD1 3.19Å; K75-I79 VanDerWaalsContact O-CG1 3.24Å; K75-I79 WeakPolarHBondContact O-CG1 3.13Å; K75-I79 PolarHBondContact O-N 3.19Å; I76-I79 PolarHBondContact O-N 3.04Å; Q77-I79 VanDerWaalsContact C-N 3.33Å; Q77-I79 PolarHBondContact O-N 2.85Å; I79-K81 VanDerWaalsContact C-N 3.28Å; I79-K81 PolarHBondContact O-N 3.4Å; I79-N82 WeakPolarHBondContact O-CB 3.35Å; I79-N82 PolarHBondContact O-N 3.31Å; I79-N82 VanDerWaalsContact O-N 3.09Å; I79-V83 PolarHBondContact O-N 3.43Å; I79-F162 HydrophobicContact CB-CE1 4.45Å; I79-F162 HydrophobicContact CD1-CE1 4.49Å; I79-F162 HydrophobicContact CG1-CE1 4.15Å; I79-F162 HydrophobicContact CG1-CZ 3.96Å; I79-F162 HydrophobicContact CG2-CD1 3.72Å; I79-F162 HydrophobicContact CG2-CE1 3.55Å; I79-F162 HydrophobicContact CG2-CG 4.33Å; I79-F162 HydrophobicContact CG2-CZ 4.01Å; I79-V169 HydrophobicContact CG2-CG1 4Å; I79-V169 HydrophobicContact CG2-CG2 4.12Å; I79-Y174 HydrophobicContact CD1-CE1 4.23Å; I79-Y174 HydrophobicContact CG2-CE1 4.31Å; I79-P176 HydrophobicContact CD1-CB 3.71Å; I79-P176 HydrophobicContact CD1-CG 3.72Å; I79-D180 HydrophobicContact CD1-CB 3.97Å; I79-C184 HydrophobicContact CG1-CB 3.9Å
80R97.2Very high95.7Very high46 Ų4649.3 Ų49.317%0.17423%0.234CC..Hα-helixtrans-63.6-36.5176.5-70.3-179.9174.3171.81.5111.7I76 Q77 V83 K84 Y126 F131 V169 K171I76-R80 WeakPolarHBondContact O-CG 3.47Å; I76-R80 PolarHBondContact O-N 3.47Å; Q77-R80 PolarHBondContact O-N 3.17Å; R80-V83 WeakPolarHBondContact O-CB 3.39Å; R80-V83 PolarHBondContact O-N 2.86Å; R80-K84 PolarHBondContact O-N 3.05Å; R80-Y126 VanDerWaalsContact C-CE1 3.45Å; R80-Y126 HydrophobicContact CB-CD1 3.77Å; R80-Y126 HydrophobicContact CB-CD2 3.71Å; R80-Y126 HydrophobicContact CB-CE1 3.9Å; R80-Y126 HydrophobicContact CB-CE2 3.86Å; R80-Y126 HydrophobicContact CB-CG 3.68Å; R80-Y126 HydrophobicContact CG-CD2 4.47Å; R80-Y126 HydrophobicContact CG-CG 4.37Å; R80-Y126 VanDerWaalsContact O-CE1 3.29Å; R80-Y126 WeakPolarHBondContact O-CE1 3.25Å; R80-F131 HydrophobicContact CG-CZ 4.09Å; R80-V169 HydrophobicContact CG-CG1 3.81Å; R80-V169 PolarHBondContact NE-O 2.95Å; R80-V169 PolarHBondContact NH2-O 3.02Å; R80-K171 PolarHBondContact NH2-O 2.83Å
81K96.5Very high96.1Very high105 Ų10542.6 Ų42.646%0.45720%0.203SC..Hα-helixtrans-60.8-44.9170-174.4-179.7174.7-1780111.9Q77 D78 I79 V83 K84 D85 Y126Q77-K81 VanDerWaalsContact O-CB 3.31Å; Q77-K81 WeakPolarHBondContact O-CB 3.48Å; Q77-K81 PolarHBondContact O-N 3.42Å; D78-K81 WeakPolarHBondContact O-CB 3.42Å; D78-K81 PolarHBondContact O-N 3.45Å; I79-K81 VanDerWaalsContact C-N 3.28Å; I79-K81 PolarHBondContact O-N 3.4Å; K81-V83 VanDerWaalsContact C-N 3.28Å; K81-V83 PolarHBondContact O-N 3.41Å; K81-K84 PolarHBondContact O-N 3.39Å; K81-D85 WeakPolarHBondContact O-CB 3.48Å; K81-D85 VanDerWaalsContact O-CG 3.28Å; K81-D85 PolarHBondContact O-N 2.91Å; K81-Y126 WeakPolarHBondContact CA-OH 3.35Å; K81-Y126 VanDerWaalsContact CB-OH 3.31Å; K81-Y126 WeakPolarHBondContact CB-OH 3.44Å; K81-Y126 PolarHBondContact N-OH 3.34Å
82N97.8Very high96.4Very high7 Ų742.9 Ų42.94%0.03721%0.21CC..Hα-helixtrans-60.2-37.2175.9-67168.1000112.4D78 I79 A86 I156 F162 R185D78-N82 PolarHBondContact O-N 2.95Å; D78-N82 PolarHBondContact O-ND2 3.27Å; I79-N82 WeakPolarHBondContact O-CB 3.35Å; I79-N82 PolarHBondContact O-N 3.31Å; I79-N82 VanDerWaalsContact O-N 3.09Å; N82-A86 WeakPolarHBondContact O-CB 3.32Å; N82-A86 PolarHBondContact O-N 3.37Å; N82-I156 HydrophobicContact CB-CD1 3.85Å; N82-I156 WeakPolarHBondContact O-CD1 3.5Å; N82-F162 HydrophobicContact CB-CD2 4.22Å; N82-F162 HydrophobicContact CB-CE2 4.36Å; N82-R185 PolarHBondContact ND2-O 3.29Å; N82-R185 PolarHBondContact OD1-N 3.16Å; N82-R185 PolarHBondContact OD1-O 2.79Å
83V98.2Very high96.7Very high0 Ų041.1 Ų41.10%020%0.204CC..Hα-helixtrans-60.4-50.4172.7171.30000110.9I79 R80 K81 A86 I87 F130 T134 F162 L163 L166 V169I79-V83 PolarHBondContact O-N 3.43Å; R80-V83 WeakPolarHBondContact O-CB 3.39Å; R80-V83 PolarHBondContact O-N 2.86Å; K81-V83 VanDerWaalsContact C-N 3.28Å; K81-V83 PolarHBondContact O-N 3.41Å; V83-A86 PolarHBondContact O-N 3.11Å; V83-I87 PolarHBondContact O-N 3.2Å; V83-F130 HydrophobicContact CG1-CE1 4.14Å; V83-F130 HydrophobicContact CG1-CZ 4.04Å; V83-T134 HydrophobicContact CG1-CG2 4.05Å; V83-F162 HydrophobicContact CG2-CB 3.7Å; V83-L163 HydrophobicContact CG1-CD2 4.27Å; V83-L166 HydrophobicContact CG1-CD2 3.47Å; V83-L166 VanDerWaalsContact CG1-CD2 3.47Å; V83-L166 HydrophobicContact CG2-CD2 4.37Å; V83-V169 HydrophobicContact CG2-CG1 4.23Å
84K97.9Very high97Very high8 Ų835.7 Ų35.74%0.03518%0.178CC..Hα-helixtrans-58.4-52.2177.3177.2-176.5175.3176.20111.6R80 K81 A86 I87 V88 I118 L121 F124 Y126 F130R80-K84 PolarHBondContact O-N 3.05Å; K81-K84 PolarHBondContact O-N 3.39Å; K84-A86 VanDerWaalsContact C-N 3.26Å; K84-A86 PolarHBondContact O-N 3.4Å; K84-I87 WeakPolarHBondContact O-CG2 3.3Å; K84-I87 PolarHBondContact O-N 3.43Å; K84-V88 HydrophobicContact CG-CG2 4.12Å; K84-V88 VanDerWaalsContact O-CB 3.3Å; K84-V88 WeakPolarHBondContact O-CB 3.45Å; K84-V88 VanDerWaalsContact O-CG2 3.24Å; K84-V88 WeakPolarHBondContact O-CG2 3.41Å; K84-V88 PolarHBondContact O-N 3.24Å; K84-I118 WeakPolarHBondContact CE-O 3.47Å; K84-I118 HydrophobicContact CG-CD1 4.48Å; K84-I118 PolarHBondContact NZ-O 2.85Å; K84-L121 PolarHBondContact NZ-O 3.03Å; K84-F124 HydrophobicContact CD-CB 4.44Å; K84-F124 HydrophobicContact CD-CD1 3.8Å; K84-F124 HydrophobicContact CD-CE1 4.33Å; K84-F124 HydrophobicContact CD-CG 4.18Å; K84-Y126 HydrophobicContact CB-CE1 3.97Å; K84-Y126 HydrophobicContact CD-CE1 4.26Å; K84-F130 HydrophobicContact CB-CE2 4.16Å; K84-F130 HydrophobicContact CB-CZ 3.78Å; K84-F130 HydrophobicContact CG-CE2 4.31Å; K84-F130 HydrophobicContact CG-CZ 4.43Å
85D97.2Very high97.3Very high60 Ų6033.3 Ų33.332%0.32118%0.176SC..Hα-helixtrans-58.7-40.5-179.1-69.5-12.6000110.8K81 T89K81-D85 WeakPolarHBondContact O-CB 3.48Å; K81-D85 VanDerWaalsContact O-CG 3.28Å; K81-D85 PolarHBondContact O-N 2.91Å; D85-T89 VanDerWaalsContact O-CB 3.22Å; D85-T89 WeakPolarHBondContact O-CB 3.37Å; D85-T89 PolarHBondContact O-N 2.98Å; D85-T89 PolarHBondContact O-OG1 3.43Å
86A98.4Very high97.3Very high1 Ų134.7 Ų34.71%0.00820%0.197CC..Hα-helixtrans-62.7-54.6177.100000112.2N82 V83 K84 T89 I90 L155 I156 A159 L163N82-A86 WeakPolarHBondContact O-CB 3.32Å; N82-A86 PolarHBondContact O-N 3.37Å; V83-A86 PolarHBondContact O-N 3.11Å; K84-A86 VanDerWaalsContact C-N 3.26Å; K84-A86 PolarHBondContact O-N 3.4Å; A86-T89 PolarHBondContact O-N 3Å; A86-I90 VanDerWaalsContact O-CG1 3.31Å; A86-I90 WeakPolarHBondContact O-CG1 3.38Å; A86-I90 PolarHBondContact O-N 3.35Å; A86-L155 HydrophobicContact CB-CD1 4.48Å; A86-I156 HydrophobicContact CB-CD1 4.24Å; A86-I156 HydrophobicContact CB-CG1 4.34Å; A86-A159 HydrophobicContact CB-CB 3.64Å; A86-L163 HydrophobicContact CB-CD1 4.2Å
87I98.6Very high97.3Very high0 Ų034.6 Ų34.60%020%0.197CC..Hα-helixtrans-67.6-39.5-176.4-167.664.7000112.1V83 K84 T89 I90 V91 I115 F130 T134 L137 I143 L163V83-I87 PolarHBondContact O-N 3.2Å; K84-I87 WeakPolarHBondContact O-CG2 3.3Å; K84-I87 PolarHBondContact O-N 3.43Å; I87-T89 VanDerWaalsContact C-N 3.31Å; I87-T89 PolarHBondContact O-N 2.99Å; I87-I90 PolarHBondContact O-N 2.95Å; I87-V91 HydrophobicContact CD1-CG2 4.32Å; I87-V91 HydrophobicContact CG1-CG2 4.26Å; I87-V91 WeakPolarHBondContact O-CB 3.47Å; I87-V91 VanDerWaalsContact O-CG2 3.3Å; I87-V91 WeakPolarHBondContact O-CG2 3.39Å; I87-V91 PolarHBondContact O-N 3.41Å; I87-I115 HydrophobicContact CG1-CG1 4.49Å; I87-I115 HydrophobicContact CG1-CG2 4.47Å; I87-I115 HydrophobicContact CG2-CD1 4.11Å; I87-I115 HydrophobicContact CG2-CG2 4.27Å; I87-F130 HydrophobicContact CG2-CE2 4.3Å; I87-T134 HydrophobicContact CB-CG2 3.94Å; I87-T134 HydrophobicContact CD1-CG2 4.45Å; I87-T134 HydrophobicContact CG1-CG2 3.99Å; I87-T134 HydrophobicContact CG2-CG2 4.01Å; I87-L137 HydrophobicContact CD1-CB 4.13Å; I87-I143 HydrophobicContact CD1-CG2 4.48Å; I87-L163 HydrophobicContact CB-CD2 4.33Å
88V98.3Very high97.4Very high21 Ų2133.7 Ų33.713%0.12720%0.201CC..Hα-helixtrans-60.1-43.5175.2167.30000110.6K84 S92 I115 A119K84-V88 HydrophobicContact CG-CG2 4.12Å; K84-V88 VanDerWaalsContact O-CB 3.3Å; K84-V88 WeakPolarHBondContact O-CB 3.45Å; K84-V88 VanDerWaalsContact O-CG2 3.24Å; K84-V88 WeakPolarHBondContact O-CG2 3.41Å; K84-V88 PolarHBondContact O-N 3.24Å; V88-S92 VanDerWaalsContact O-CB 3.25Å; V88-S92 WeakPolarHBondContact O-CB 3.43Å; V88-S92 PolarHBondContact O-N 3.2Å; V88-S92 PolarHBondContact O-OG 2.79Å; V88-I115 HydrophobicContact CB-CG2 4.37Å; V88-I115 HydrophobicContact CG2-CG2 3.73Å; V88-A119 HydrophobicContact CG1-CB 3.53Å; V88-A119 HydrophobicContact CG2-CB 4.28Å
89T98.3Very high97.4Very high44 Ų4436 Ų3627%0.2722%0.218SC..Hα-helixtrans-63.9-47.4179.2-60.50000111.1D85 A86 I87 S92 A93 Y153 L155D85-T89 VanDerWaalsContact O-CB 3.22Å; D85-T89 WeakPolarHBondContact O-CB 3.37Å; D85-T89 PolarHBondContact O-N 2.98Å; D85-T89 PolarHBondContact O-OG1 3.43Å; A86-T89 PolarHBondContact O-N 3Å; I87-T89 VanDerWaalsContact C-N 3.31Å; I87-T89 PolarHBondContact O-N 2.99Å; T89-S92 PolarHBondContact O-N 3.03Å; T89-A93 WeakPolarHBondContact O-CB 3.31Å; T89-A93 PolarHBondContact O-N 2.92Å; T89-Y153 HydrophobicContact CG2-CD2 3.82Å; T89-Y153 HydrophobicContact CG2-CE2 4.05Å; T89-L155 HydrophobicContact CG2-CD1 3.98Å
90I98.6Very high97.4Very high0 Ų040 Ų400%024%0.244CC..Hα-helixtrans-62.9-48.8-179.3-63.1162.6000110.4A86 I87 S92 A93 M94 W138 I143 C146 F147 L155 L163A86-I90 VanDerWaalsContact O-CG1 3.31Å; A86-I90 WeakPolarHBondContact O-CG1 3.38Å; A86-I90 PolarHBondContact O-N 3.35Å; I87-I90 PolarHBondContact O-N 2.95Å; I90-S92 VanDerWaalsContact C-N 3.31Å; I90-S92 PolarHBondContact O-N 3.42Å; I90-A93 PolarHBondContact O-N 3.03Å; I90-A93 VanDerWaalsContact O-N 3.15Å; I90-M94 WeakPolarHBondContact O-CG 3.4Å; I90-M94 PolarHBondContact O-N 2.97Å; I90-W138 HydrophobicContact CD1-CZ3 4.1Å; I90-I143 HydrophobicContact CG2-CD1 4.36Å; I90-I143 HydrophobicContact CG2-CG2 3.98Å; I90-C146 HydrophobicContact CG2-CB 4.11Å; I90-C146 PolarHBondContact O-SG 3.26Å; I90-F147 HydrophobicContact CD1-CB 4.5Å; I90-F147 HydrophobicContact CD1-CD2 4.05Å; I90-L155 HydrophobicContact CD1-CD1 4.34Å; I90-L155 HydrophobicContact CD1-CD2 4.28Å; I90-L155 HydrophobicContact CG1-CD1 3.9Å; I90-L155 HydrophobicContact CG1-CD2 4.09Å; I90-L163 HydrophobicContact CD1-CD1 3.86Å
91V98.3Very high97.5Very high2 Ų238.8 Ų38.81%0.01224%0.242CC..Hα-helixtrans-60.7-39.8179168.60000111.9I87 A93 V112 I115 K116 L137 I143I87-V91 HydrophobicContact CD1-CG2 4.32Å; I87-V91 HydrophobicContact CG1-CG2 4.26Å; I87-V91 WeakPolarHBondContact O-CB 3.47Å; I87-V91 VanDerWaalsContact O-CG2 3.3Å; I87-V91 WeakPolarHBondContact O-CG2 3.39Å; I87-V91 PolarHBondContact O-N 3.41Å; V91-A93 VanDerWaalsContact C-N 3.34Å; V91-V112 HydrophobicContact CG1-CB 4.27Å; V91-V112 HydrophobicContact CG1-CG1 3.67Å; V91-V112 HydrophobicContact CG1-CG2 4.21Å; V91-I115 HydrophobicContact CB-CG2 4.21Å; V91-I115 HydrophobicContact CG1-CG2 4.41Å; V91-I115 HydrophobicContact CG2-CG2 4.11Å; V91-K116 HydrophobicContact CG1-CG 4.07Å; V91-L137 HydrophobicContact CG2-CD1 4.18Å; V91-I143 HydrophobicContact CG2-CD1 3.72Å
92S97.4Very high97.5Very high55 Ų5538.7 Ų38.739%0.38525%0.252SS..Hα-helixtrans-68.7-34.8178-58.50000112V88 T89 I90V88-S92 VanDerWaalsContact O-CB 3.25Å; V88-S92 WeakPolarHBondContact O-CB 3.43Å; V88-S92 PolarHBondContact O-N 3.2Å; V88-S92 PolarHBondContact O-OG 2.79Å; T89-S92 PolarHBondContact O-N 3.03Å; I90-S92 VanDerWaalsContact C-N 3.31Å; I90-S92 PolarHBondContact O-N 3.42Å
93A97.9Very high97.5Very high8 Ų839.7 Ų39.77%0.06626%0.257CS..Hα-helixtrans-69.8-30.9179.400000113T89 I90 V91 S95 A96 L97 Y153T89-A93 WeakPolarHBondContact O-CB 3.31Å; T89-A93 PolarHBondContact O-N 2.92Å; I90-A93 PolarHBondContact O-N 3.03Å; I90-A93 VanDerWaalsContact O-N 3.15Å; V91-A93 VanDerWaalsContact C-N 3.34Å; A93-S95 VanDerWaalsContact C-N 3.28Å; A93-S95 PolarHBondContact O-N 3.12Å; A93-S95 VanDerWaalsContact O-N 3.13Å; A93-A96 PolarHBondContact O-N 2.95Å; A93-L97 WeakPolarHBondContact O-CG 3.42Å; A93-L97 PolarHBondContact O-N 3.35Å; A93-Y153 HydrophobicContact CB-CD1 3.6Å; A93-Y153 HydrophobicContact CB-CD2 3.82Å; A93-Y153 HydrophobicContact CB-CE1 3.63Å; A93-Y153 HydrophobicContact CB-CE2 3.86Å; A93-Y153 HydrophobicContact CB-CG 3.69Å
94M97.9Very high97.5Very high12 Ų1242 Ų426%0.05928%0.282CS..Hα-helixtrans-48.7-46.1-176.5-68.4-173.278.600113.6I90 P100 V101 P102 L103 I143 C146I90-M94 WeakPolarHBondContact O-CG 3.4Å; I90-M94 PolarHBondContact O-N 2.97Å; M94-P100 WeakPolarHBondContact O-CA 3.47Å; M94-V101 HydrophobicContact CE-CG1 4.33Å; M94-V101 VanDerWaalsContact CE-O 3.28Å; M94-V101 WeakPolarHBondContact CE-O 3.42Å; M94-V101 PolarHBondContact O-N 3.04Å; M94-P102 WeakPolarHBondContact CE-O 3.48Å; M94-L103 HydrophobicContact CE-CD2 4.01Å; M94-L103 HydrophobicContact CE-CG 4.3Å; M94-L103 HydrophobicContact SD-CD2 4.29Å; M94-I143 HydrophobicContact CE-CD1 4.35Å; M94-I143 HydrophobicContact CG-CD1 4.46Å; M94-I143 HydrophobicContact SD-CD1 3.33Å; M94-I143 WeakPolarHBondContact SD-CD1 3.41Å; M94-I143 HydrophobicContact SD-CG1 4.1Å; M94-C146 HydrophobicContact CG-CB 3.85Å
95S96.5Very high97.5Very high83 Ų8345.7 Ų45.758%0.5830%0.302SS*.Hα-helixtrans-85.1-17.2178.651.40000114.4A93A93-S95 VanDerWaalsContact C-N 3.28Å; A93-S95 PolarHBondContact O-N 3.12Å; A93-S95 VanDerWaalsContact O-N 3.13Å
96A95.8Very high97.4Very high77 Ų7747.7 Ų47.764%0.63632%0.318SS*.Hα-helixtrans-89.4-23.3-177.800000113A93A93-A96 PolarHBondContact O-N 2.95Å
97L95.9Very high97.4Very high11 Ų1149.8 Ų49.86%0.05834%0.34CS..SBendtrans-63.1151.4174.7-73.3175.8000111.6A93 P99 P100 V101 R149 E152 Y153A93-L97 WeakPolarHBondContact O-CG 3.42Å; A93-L97 PolarHBondContact O-N 3.35Å; L97-P99 CarbonylContact C-O 3.42Å; L97-P99 CarbonylContact O-C 3.52Å; L97-P100 VanDerWaalsContact O-CA 3.24Å; L97-P100 WeakPolarHBondContact O-CA 3.49Å; L97-V101 HydrophobicContact CD1-CG2 3.88Å; L97-R149 HydrophobicContact CD1-CB 4.11Å; L97-E152 HydrophobicContact CD2-CB 3.63Å; L97-E152 HydrophobicContact CD2-CG 4.41Å; L97-Y153 HydrophobicContact CD1-CE1 4.23Å; L97-Y153 HydrophobicContact CD2-CD1 3.98Å; L97-Y153 HydrophobicContact CD2-CE1 4.38Å
98T95Very high97.4Very high123 Ų12350.7 Ų50.776%0.75534%0.344SS*.SBendtrans-121.7115.2175-58.50000109.4R149T98-R149 PolarHBondContact O-NH2 3.4Å
99P96.9Very high97.4Very high93 Ų9353.8 Ų53.860%0.60436%0.357SS*.SBendcis-65.2156.2-10.831-35.6000111.8L97 R149L97-P99 CarbonylContact C-O 3.42Å; L97-P99 CarbonylContact O-C 3.52Å; P99-R149 PolarHBondContact O-NH1 3.1Å
100P97.5Very high97.4Very high84 Ų8457.1 Ų57.155%0.54537%0.368SS..  trans-67.1154.9177.228.3-35.1000111M94 L97M94-P100 WeakPolarHBondContact O-CA 3.47Å; L97-P100 VanDerWaalsContact O-CA 3.24Å; L97-P100 WeakPolarHBondContact O-CA 3.49Å
101V98.1Very high97.4Very high21 Ų2158.4 Ų58.413%0.12737%0.373CS..  trans-104.2115179.1-175.10000108.6M94 L97 G142 A145 C146M94-V101 HydrophobicContact CE-CG1 4.33Å; M94-V101 VanDerWaalsContact CE-O 3.28Å; M94-V101 WeakPolarHBondContact CE-O 3.42Å; M94-V101 PolarHBondContact O-N 3.04Å; L97-V101 HydrophobicContact CD1-CG2 3.88Å; V101-G142 VanDerWaalsContact CG1-O 3.28Å; V101-G142 WeakPolarHBondContact CG1-O 3.38Å; V101-A145 HydrophobicContact CG1-CB 4.09Å; V101-C146 HydrophobicContact CB-CB 4.36Å; V101-C146 HydrophobicContact CG1-CB 4.33Å; V101-C146 HydrophobicContact CG2-CB 4.48Å
102P97.4Very high97.4Very high103 Ų10358.7 Ų58.767%0.66938%0.375SS*.  trans-73.4162.5174.331.4-34.5000111.1M94 G142M94-P102 WeakPolarHBondContact CE-O 3.48Å; P102-G142 WeakPolarHBondContact O-CA 3.23Å
103L98.1Very high97.4Very high27 Ų2760 Ų6014%0.14138%0.378CS..  trans-62.1142167.4-74.8169.3000110.4M94 N105 N108 Q109 V112 L137 I143M94-L103 HydrophobicContact CE-CD2 4.01Å; M94-L103 HydrophobicContact CE-CG 4.3Å; M94-L103 HydrophobicContact SD-CD2 4.29Å; L103-N105 VanDerWaalsContact C-N 3.34Å; L103-N108 HydrophobicContact CD1-CB 4.28Å; L103-N108 HydrophobicContact CD2-CB 4.46Å; L103-Q109 HydrophobicContact CD1-CB 4.35Å; L103-V112 HydrophobicContact CD1-CG2 3.92Å; L103-V112 HydrophobicContact CD2-CG2 3.83Å; L103-V112 HydrophobicContact CG-CG2 4.28Å; L103-L137 HydrophobicContact CD2-CD2 4.24Å; L103-I143 HydrophobicContact CD2-CG1 4.33Å
104G97.4Very high97.4Very high50 Ų5062.2 Ų62.252%0.51539%0.385SS..SBendtrans-66.1-39.7170.600000111.1D140G104-D140 WeakPolarHBondContact CA-OD1 3.46Å; G104-D140 PolarHBondContact N-OD1 3.15Å
105N97.4Very high97.4Very high85 Ų8561.6 Ų61.646%0.45538%0.382SS..SBendtrans-116.8111.5171.3-177.4-2.3000111.4L103 G107 N108 D140L103-N105 VanDerWaalsContact C-N 3.34Å; N105-G107 PolarHBondContact O-N 2.97Å; N105-G107 VanDerWaalsContact O-N 3.08Å; N105-G107 PolarHBondContact OD1-N 2.93Å; N105-N108 WeakPolarHBondContact O-CB 3.43Å; N105-N108 PolarHBondContact O-N 2.86Å; N105-D140 PolarHBondContact N-OD2 3.45Å
106P96.5Very high97.4Very high102 Ų10261.8 Ų61.866%0.66237%0.372SS*.G310 helixtrans-56.5-25.6175.9-2634.9000114.3N108 Q109P106-N108 PolarHBondContact O-N 2.86Å; P106-N108 VanDerWaalsContact O-N 3.14Å; P106-Q109 WeakPolarHBondContact O-CB 3.31Å; P106-Q109 PolarHBondContact O-N 3.45Å; P106-Q109 VanDerWaalsContact O-N 3.14Å
107G97.4Very high97.5Very high45 Ų4561.7 Ų61.746%0.46437%0.366SS..G310 helixtrans-62.4-15.6174.500000114.1N105 Q109 F110N105-G107 PolarHBondContact O-N 2.97Å; N105-G107 VanDerWaalsContact O-N 3.08Å; N105-G107 PolarHBondContact OD1-N 2.93Å; G107-Q109 VanDerWaalsContact C-N 3.31Å; G107-F110 WeakPolarHBondContact O-CD1 3.44Å; G107-F110 WeakPolarHBondContact O-CE1 3.39Å
108N98.1Very high97.5Very high18 Ų1861.5 Ų61.510%0.09637%0.365CS..G310 helixtrans-83.51175.8-74.8-30.9000113.9L103 N105 P106 F110 R111 V112 L137 D140L103-N108 HydrophobicContact CD1-CB 4.28Å; L103-N108 HydrophobicContact CD2-CB 4.46Å; N105-N108 WeakPolarHBondContact O-CB 3.43Å; N105-N108 PolarHBondContact O-N 2.86Å; P106-N108 PolarHBondContact O-N 2.86Å; P106-N108 VanDerWaalsContact O-N 3.14Å; N108-F110 VanDerWaalsContact C-N 3.32Å; N108-F110 PolarHBondContact O-N 2.96Å; N108-R111 WeakPolarHBondContact O-CA 3.3Å; N108-R111 WeakPolarHBondContact O-CB 3.38Å; N108-R111 PolarHBondContact O-N 2.95Å; N108-V112 PolarHBondContact O-N 3.25Å; N108-L137 HydrophobicContact CB-CD2 4.08Å; N108-D140 PolarHBondContact ND2-OD2 3.44Å
109Q98.2Very high97.5Very high87 Ų8757.6 Ų57.641%0.40735%0.346SS..Hα-helixtrans-56.4-42.6-176.1-174.758.251.700113.2L103 P106 G107 R111 V112 D113L103-Q109 HydrophobicContact CD1-CB 4.35Å; P106-Q109 WeakPolarHBondContact O-CB 3.31Å; P106-Q109 PolarHBondContact O-N 3.45Å; P106-Q109 VanDerWaalsContact O-N 3.14Å; G107-Q109 VanDerWaalsContact C-N 3.31Å; Q109-R111 PolarHBondContact O-N 3.39Å; Q109-V112 WeakPolarHBondContact O-CA 3.37Å; Q109-V112 WeakPolarHBondContact O-CB 3.2Å; Q109-V112 PolarHBondContact O-N 2.98Å; Q109-D113 PolarHBondContact NE2-OD1 2.71Å; Q109-D113 VanDerWaalsContact O-CG 3.27Å; Q109-D113 PolarHBondContact O-N 3.37Å
110F98.4Very high97.4Very high113 Ų11358.3 Ų58.350%0.49635%0.35SS..Hα-helixtrans-61.2-29.7177.377.5-79.3000112.8G107 N108 D113 Y114 H133G107-F110 WeakPolarHBondContact O-CD1 3.44Å; G107-F110 WeakPolarHBondContact O-CE1 3.39Å; N108-F110 VanDerWaalsContact C-N 3.32Å; N108-F110 PolarHBondContact O-N 2.96Å; F110-D113 PolarHBondContact O-N 3.37Å; F110-Y114 WeakPolarHBondContact O-CB 3.41Å; F110-Y114 PolarHBondContact O-N 2.79Å; F110-H133 AromaticContact CE2-CE1 3.65Å
111R98.6Very high97.2Very high28 Ų2858.2 Ų58.211%0.10635%0.345CS..Hα-helixtrans-72-39.5175.5-49.9-166.4171.9-99.5-2.4110.4N108 Q109 D113 Y114 I115 E132 H133 L137N108-R111 WeakPolarHBondContact O-CA 3.3Å; N108-R111 WeakPolarHBondContact O-CB 3.38Å; N108-R111 PolarHBondContact O-N 2.95Å; Q109-R111 PolarHBondContact O-N 3.39Å; R111-D113 VanDerWaalsContact C-N 3.34Å; R111-Y114 PolarHBondContact O-N 2.92Å; R111-I115 WeakPolarHBondContact O-CG1 3.45Å; R111-I115 PolarHBondContact O-N 3.3Å; R111-E132 IonicContact CZ-OE1 2.94Å; R111-E132 PolarHBondContact NH1-O 2.95Å; R111-E132 IonicContact NH1-OE1 2.72Å; R111-E132 PolarHBondContact NH1-OE1 3.5Å; R111-E132 IonicContact NH2-OE1 2.82Å; R111-E132 PolarHBondContact NH2-OE1 3.48Å; R111-H133 HydrophobicContact CB-CB 4.41Å; R111-H133 WeakPolarHBondContact CG-ND1 3.32Å; R111-H133 PolarHBondContact NH1-ND1 3.26Å; R111-L137 HydrophobicContact CB-CD1 3.94Å; R111-L137 HydrophobicContact CB-CD2 4.02Å; R111-L137 HydrophobicContact CB-CG 3.85Å
112V98.3Very high96.6Very high7 Ų763.3 Ų63.34%0.04238%0.381CS..Hα-helixtrans-60-45.9171.9163.10000110.8V91 L103 N108 Q109 Y114 I115 K116 L137V91-V112 HydrophobicContact CG1-CB 4.27Å; V91-V112 HydrophobicContact CG1-CG1 3.67Å; V91-V112 HydrophobicContact CG1-CG2 4.21Å; L103-V112 HydrophobicContact CD1-CG2 3.92Å; L103-V112 HydrophobicContact CD2-CG2 3.83Å; L103-V112 HydrophobicContact CG-CG2 4.28Å; N108-V112 PolarHBondContact O-N 3.25Å; Q109-V112 WeakPolarHBondContact O-CA 3.37Å; Q109-V112 WeakPolarHBondContact O-CB 3.2Å; Q109-V112 PolarHBondContact O-N 2.98Å; V112-Y114 VanDerWaalsContact C-N 3.34Å; V112-Y114 PolarHBondContact O-N 2.66Å; V112-I115 PolarHBondContact O-N 3.42Å; V112-K116 HydrophobicContact CG1-CD 4.06Å; V112-K116 HydrophobicContact CG1-CG 4.49Å; V112-K116 WeakPolarHBondContact O-CG 3.49Å; V112-K116 PolarHBondContact O-N 2.7Å; V112-L137 HydrophobicContact CG2-CD2 3.78Å
113D98Very high96.2Very high84 Ų8465.7 Ų65.745%0.44939%0.389SS..Hα-helixtrans-64-40.8-179.8-59.4-26000111.2Q109 F110 R111 K116 S117Q109-D113 PolarHBondContact NE2-OD1 2.71Å; Q109-D113 VanDerWaalsContact O-CG 3.27Å; Q109-D113 PolarHBondContact O-N 3.37Å; F110-D113 PolarHBondContact O-N 3.37Å; R111-D113 VanDerWaalsContact C-N 3.34Å; D113-K116 PolarHBondContact O-N 3.48Å; D113-S117 WeakPolarHBondContact O-CB 3.37Å; D113-S117 PolarHBondContact O-N 3.27Å
114Y98.3Very high95.9Very high53 Ų5365.7 Ų65.721%0.20839%0.387CS..Hα-helixtrans-57.2-53.7170.9172.5-92.1000111.7F110 R111 V112 K116 S117 I118 F130 H133F110-Y114 WeakPolarHBondContact O-CB 3.41Å; F110-Y114 PolarHBondContact O-N 2.79Å; R111-Y114 PolarHBondContact O-N 2.92Å; V112-Y114 VanDerWaalsContact C-N 3.34Å; V112-Y114 PolarHBondContact O-N 2.66Å; Y114-K116 VanDerWaalsContact C-N 3.28Å; Y114-K116 PolarHBondContact O-N 3.27Å; Y114-S117 WeakPolarHBondContact O-CB 3.25Å; Y114-S117 PolarHBondContact O-N 2.83Å; Y114-S117 PolarHBondContact O-OG 3.08Å; Y114-I118 HydrophobicContact CE1-CD1 4.11Å; Y114-I118 HydrophobicContact CE1-CG2 4.38Å; Y114-I118 HydrophobicContact CE2-CG2 4.28Å; Y114-I118 PolarHBondContact O-N 3.2Å; Y114-F130 HydrophobicContact CE1-CB 4.39Å; Y114-F130 HydrophobicContact CE1-CD2 4.29Å; Y114-F130 WeakPolarHBondContact OH-CB 3.28Å; Y114-H133 HydrophobicContact CD1-CB 3.83Å; Y114-H133 AromaticContact CD1-CD2 3.32Å; Y114-H133 WeakPolarHBondContact CD1-CD2 3.47Å; Y114-H133 AromaticContact CD1-CG 3.66Å; Y114-H133 AromaticContact CD2-CD2 3.94Å; Y114-H133 AromaticContact CD2-NE2 3.97Å; Y114-H133 HydrophobicContact CE1-CB 4.13Å; Y114-H133 AromaticContact CE1-CD2 3.49Å; Y114-H133 VanDerWaalsContact CE1-CD2 3.49Å; Y114-H133 WeakPolarHBondContact CE1-CD2 3.41Å; Y114-H133 AromaticContact CG-CD2 3.57Å; Y114-H133 AromaticContact CG-NE2 3.83Å; Y114-H133 AromaticContact CZ-CD2 3.86Å
115I98.1Very high95.6Very high0 Ų070.8 Ų70.80%040%0.398CS..Hα-helixtrans-59.9-38.7-179.5-67.1-59.7000111.6I87 V88 V91 R111 V112 I118 A119 F130 H133 L137I87-I115 HydrophobicContact CG1-CG1 4.49Å; I87-I115 HydrophobicContact CG1-CG2 4.47Å; I87-I115 HydrophobicContact CG2-CD1 4.11Å; I87-I115 HydrophobicContact CG2-CG2 4.27Å; V88-I115 HydrophobicContact CB-CG2 4.37Å; V88-I115 HydrophobicContact CG2-CG2 3.73Å; V91-I115 HydrophobicContact CB-CG2 4.21Å; V91-I115 HydrophobicContact CG1-CG2 4.41Å; V91-I115 HydrophobicContact CG2-CG2 4.11Å; R111-I115 WeakPolarHBondContact O-CG1 3.45Å; R111-I115 PolarHBondContact O-N 3.3Å; V112-I115 PolarHBondContact O-N 3.42Å; I115-I118 HydrophobicContact CD1-CD1 4.11Å; I115-I118 WeakPolarHBondContact O-CG1 3.49Å; I115-I118 PolarHBondContact O-N 3.42Å; I115-A119 PolarHBondContact O-N 3.47Å; I115-F130 HydrophobicContact CD1-CD2 4.24Å; I115-F130 HydrophobicContact CD1-CE2 4.15Å; I115-H133 HydrophobicContact CD1-CB 4.43Å; I115-L137 HydrophobicContact CB-CD1 4.46Å; I115-L137 HydrophobicContact CG1-CD1 3.57Å
116K96.9Very high95.5Very high87 Ų8768.8 Ų68.838%0.37838%0.384SS..Hα-helixtrans-65.6-37.5175-75.2179.8175.6-179.20112.4V91 V112 D113 Y114 I118 A119V91-K116 HydrophobicContact CG1-CG 4.07Å; V112-K116 HydrophobicContact CG1-CD 4.06Å; V112-K116 HydrophobicContact CG1-CG 4.49Å; V112-K116 WeakPolarHBondContact O-CG 3.49Å; V112-K116 PolarHBondContact O-N 2.7Å; D113-K116 PolarHBondContact O-N 3.48Å; Y114-K116 VanDerWaalsContact C-N 3.28Å; Y114-K116 PolarHBondContact O-N 3.27Å; K116-I118 VanDerWaalsContact C-N 3.31Å; K116-I118 PolarHBondContact O-N 3.05Å; K116-A119 VanDerWaalsContact O-CB 3.32Å; K116-A119 WeakPolarHBondContact O-CB 3.23Å; K116-A119 PolarHBondContact O-N 3.19Å
117S96.8Very high95.5Very high74 Ų7466.3 Ų66.352%0.51737%0.367SS..Hα-helixtrans-66.9-30.4179.775.70000113.4D113 Y114 P120D113-S117 WeakPolarHBondContact O-CB 3.37Å; D113-S117 PolarHBondContact O-N 3.27Å; Y114-S117 WeakPolarHBondContact O-CB 3.25Å; Y114-S117 PolarHBondContact O-N 2.83Å; Y114-S117 PolarHBondContact O-OG 3.08Å; S117-P120 WeakPolarHBondContact O-CD 3.38Å
118I96.1Very high95.4Very high7 Ų768.5 Ų68.54%0.03637%0.365CS..Hα-helixtrans-88-12.1179.167165.7000113.5K84 Y114 I115 K116 P120 L121 F124 F130K84-I118 WeakPolarHBondContact CE-O 3.47Å; K84-I118 HydrophobicContact CG-CD1 4.48Å; K84-I118 PolarHBondContact NZ-O 2.85Å; Y114-I118 HydrophobicContact CE1-CD1 4.11Å; Y114-I118 HydrophobicContact CE1-CG2 4.38Å; Y114-I118 HydrophobicContact CE2-CG2 4.28Å; Y114-I118 PolarHBondContact O-N 3.2Å; I115-I118 HydrophobicContact CD1-CD1 4.11Å; I115-I118 WeakPolarHBondContact O-CG1 3.49Å; I115-I118 PolarHBondContact O-N 3.42Å; K116-I118 VanDerWaalsContact C-N 3.31Å; K116-I118 PolarHBondContact O-N 3.05Å; I118-P120 VanDerWaalsContact C-CD 3.48Å; I118-L121 HydrophobicContact CB-CD1 4.21Å; I118-L121 HydrophobicContact CG2-CD1 4.3Å; I118-L121 WeakPolarHBondContact O-CB 3.49Å; I118-L121 PolarHBondContact O-N 3.39Å; I118-L121 VanDerWaalsContact O-N 3.11Å; I118-F124 HydrophobicContact CB-CD2 4.17Å; I118-F124 HydrophobicContact CB-CE2 3.7Å; I118-F124 HydrophobicContact CB-CZ 4.19Å; I118-F124 HydrophobicContact CD1-CE1 4.05Å; I118-F124 HydrophobicContact CD1-CE2 4.01Å; I118-F124 HydrophobicContact CD1-CZ 3.58Å; I118-F124 HydrophobicContact CG1-CE2 4.46Å; I118-F124 HydrophobicContact CG1-CZ 4.49Å; I118-F124 HydrophobicContact CG2-CD2 4.33Å; I118-F124 HydrophobicContact CG2-CE2 3.5Å; I118-F124 VanDerWaalsContact CG2-CE2 3.5Å; I118-F124 HydrophobicContact CG2-CZ 4.06Å; I118-F130 HydrophobicContact CD1-CD2 3.53Å; I118-F130 HydrophobicContact CD1-CE2 3.72Å
119A94.8Very high95.3Very high41 Ų4172.4 Ų72.434%0.33939%0.386SS..THydrogen-bonded Turntrans-52.8-44.6-178.800000114.6V88 I115 K116 L121V88-A119 HydrophobicContact CG1-CB 3.53Å; V88-A119 HydrophobicContact CG2-CB 4.28Å; I115-A119 PolarHBondContact O-N 3.47Å; K116-A119 VanDerWaalsContact O-CB 3.32Å; K116-A119 WeakPolarHBondContact O-CB 3.23Å; K116-A119 PolarHBondContact O-N 3.19Å; A119-L121 VanDerWaalsContact C-N 3.26Å; A119-L121 PolarHBondContact O-N 2.93Å
120P95.3Very high95.3Very high108 Ų10868.3 Ų68.370%0.70137%0.367SS*.THydrogen-bonded Turntrans-76.3-9-179.931-36.6000114.1S117 I118 S122S117-P120 WeakPolarHBondContact O-CD 3.38Å; I118-P120 VanDerWaalsContact C-CD 3.48Å; P120-S122 PolarHBondContact O-N 3.32Å
121L93.3Very high95.3Very high83 Ų8363 Ų6344%0.43534%0.344SS..  trans-78.2114.2-174.5-55179.2000110.8K84 I118 A119 F124K84-L121 PolarHBondContact NZ-O 3.03Å; I118-L121 HydrophobicContact CB-CD1 4.21Å; I118-L121 HydrophobicContact CG2-CD1 4.3Å; I118-L121 WeakPolarHBondContact O-CB 3.49Å; I118-L121 PolarHBondContact O-N 3.39Å; I118-L121 VanDerWaalsContact O-N 3.11Å; A119-L121 VanDerWaalsContact C-N 3.26Å; A119-L121 PolarHBondContact O-N 2.93Å; L121-F124 HydrophobicContact CB-CB 4.43Å; L121-F124 HydrophobicContact CB-CD2 4.41Å; L121-F124 HydrophobicContact CD1-CD2 3.93Å; L121-F124 HydrophobicContact CD1-CE2 4.43Å
122S86Confident95.3Very high127 Ų12765.8 Ų65.889%0.88836%0.358SS*.SBendtrans-78.9-42.3175.851.50000112.4P120P120-S122 PolarHBondContact O-N 3.32Å
123D87.9Confident95.3Very high154 Ų15466.7 Ų66.782%0.82436%0.362SS*.SBendtrans-94.8111170.3-166.615.1000108.1
124F91.8Very high95.3Very high26 Ų2662.7 Ų62.711%0.11434%0.34CS..  trans-140.8126-171.8-178.6-103.9000110.2K84 I118 L121 Y126 F130K84-F124 HydrophobicContact CD-CB 4.44Å; K84-F124 HydrophobicContact CD-CD1 3.8Å; K84-F124 HydrophobicContact CD-CE1 4.33Å; K84-F124 HydrophobicContact CD-CG 4.18Å; I118-F124 HydrophobicContact CB-CD2 4.17Å; I118-F124 HydrophobicContact CB-CE2 3.7Å; I118-F124 HydrophobicContact CB-CZ 4.19Å; I118-F124 HydrophobicContact CD1-CE1 4.05Å; I118-F124 HydrophobicContact CD1-CE2 4.01Å; I118-F124 HydrophobicContact CD1-CZ 3.58Å; I118-F124 HydrophobicContact CG1-CE2 4.46Å; I118-F124 HydrophobicContact CG1-CZ 4.49Å; I118-F124 HydrophobicContact CG2-CD2 4.33Å; I118-F124 HydrophobicContact CG2-CE2 3.5Å; I118-F124 VanDerWaalsContact CG2-CE2 3.5Å; I118-F124 HydrophobicContact CG2-CZ 4.06Å; L121-F124 HydrophobicContact CB-CB 4.43Å; L121-F124 HydrophobicContact CB-CD2 4.41Å; L121-F124 HydrophobicContact CD1-CD2 3.93Å; L121-F124 HydrophobicContact CD1-CE2 4.43Å; F124-Y126 AromaticContact CD1-CD1 3.72Å; F124-Y126 HydrophobicContact CD1-CD1 3.72Å; F124-Y126 AromaticContact CD1-CE1 3.75Å; F124-Y126 HydrophobicContact CD1-CE1 3.75Å; F124-Y126 HydrophobicContact CD1-CG 4.28Å; F124-Y126 AromaticContact CE1-CD1 3.91Å; F124-Y126 HydrophobicContact CE1-CD1 3.91Å; F124-Y126 HydrophobicContact CE1-CE1 4.31Å; F124-Y126 WeakPolarHBondContact O-CE2 3.34Å; F124-F130 HydrophobicContact CE1-CB 4.14Å; F124-F130 HydrophobicContact CE1-CD1 4.26Å; F124-F130 AromaticContact CE1-CD2 3.79Å; F124-F130 HydrophobicContact CE1-CD2 3.79Å; F124-F130 HydrophobicContact CE1-CE2 4.29Å; F124-F130 AromaticContact CE1-CG 3.77Å; F124-F130 HydrophobicContact CE1-CG 3.77Å; F124-F130 HydrophobicContact CZ-CB 4.02Å; F124-F130 AromaticContact CZ-CD2 3.93Å; F124-F130 HydrophobicContact CZ-CD2 3.93Å; F124-F130 HydrophobicContact CZ-CG 4.03Å
125E92.1Very high95.3Very high158 Ų15862 Ų6274%0.73834%0.339SS*.  trans-83.5124.1173.2-169.7174.1-173.100110.1T127E125-T127 HydrophobicContact CB-CG2 4.43Å; E125-T127 HydrophobicContact CG-CG2 4.09Å; E125-T127 PolarHBondContact O-N 2.77Å
126Y94.6Very high95.3Very high43 Ų4366 Ų6617%0.16936%0.356CS..  trans-84.680.1-179.1-54.2-83.9000110R80 K81 K84 F124 F130 F131R80-Y126 VanDerWaalsContact C-CE1 3.45Å; R80-Y126 HydrophobicContact CB-CD1 3.77Å; R80-Y126 HydrophobicContact CB-CD2 3.71Å; R80-Y126 HydrophobicContact CB-CE1 3.9Å; R80-Y126 HydrophobicContact CB-CE2 3.86Å; R80-Y126 HydrophobicContact CB-CG 3.68Å; R80-Y126 HydrophobicContact CG-CD2 4.47Å; R80-Y126 HydrophobicContact CG-CG 4.37Å; R80-Y126 VanDerWaalsContact O-CE1 3.29Å; R80-Y126 WeakPolarHBondContact O-CE1 3.25Å; K81-Y126 WeakPolarHBondContact CA-OH 3.35Å; K81-Y126 VanDerWaalsContact CB-OH 3.31Å; K81-Y126 WeakPolarHBondContact CB-OH 3.44Å; K81-Y126 PolarHBondContact N-OH 3.34Å; K84-Y126 HydrophobicContact CB-CE1 3.97Å; K84-Y126 HydrophobicContact CD-CE1 4.26Å; F124-Y126 AromaticContact CD1-CD1 3.72Å; F124-Y126 HydrophobicContact CD1-CD1 3.72Å; F124-Y126 AromaticContact CD1-CE1 3.75Å; F124-Y126 HydrophobicContact CD1-CE1 3.75Å; F124-Y126 HydrophobicContact CD1-CG 4.28Å; F124-Y126 AromaticContact CE1-CD1 3.91Å; F124-Y126 HydrophobicContact CE1-CD1 3.91Å; F124-Y126 HydrophobicContact CE1-CE1 4.31Å; F124-Y126 WeakPolarHBondContact O-CE2 3.34Å; Y126-F130 HydrophobicContact CD1-CD1 4.11Å; Y126-F130 AromaticContact CD1-CE1 3.86Å; Y126-F130 HydrophobicContact CD1-CE1 3.86Å; Y126-F130 HydrophobicContact CD1-CZ 4.47Å; Y126-F131 WeakPolarHBondContact O-CE2 3.38Å
127T95.8Very high95.4Very high50 Ų5061.9 Ų61.931%0.30734%0.338SS..  trans-77.1166.8-179.5630000112.7E125 D129 F130 F131E125-T127 HydrophobicContact CB-CG2 4.43Å; E125-T127 HydrophobicContact CG-CG2 4.09Å; E125-T127 PolarHBondContact O-N 2.77Å; T127-D129 VanDerWaalsContact C-N 3.26Å; T127-D129 PolarHBondContact O-N 3.01Å; T127-F130 WeakPolarHBondContact O-CB 3.35Å; T127-F130 PolarHBondContact O-N 3.16Å; T127-F130 PolarHBondContact OG1-N 3.27Å; T127-F131 WeakPolarHBondContact O-CD2 3.47Å; T127-F131 PolarHBondContact O-N 3.35Å
128E96.4Very high95.5Very high91 Ų9159.5 Ų59.543%0.42532%0.318SS..Hα-helixtrans-60-37.6174.8-170.166.8-177.800111.7F130 F131 E132 R170E128-F130 VanDerWaalsContact C-N 3.3Å; E128-F130 PolarHBondContact O-N 2.99Å; E128-F131 PolarHBondContact O-N 2.89Å; E128-F131 VanDerWaalsContact O-N 3.1Å; E128-E132 PolarHBondContact O-N 3.49Å; E128-R170 IonicContact OE1-CZ 2.7Å; E128-R170 IonicContact OE1-NE 2.79Å; E128-R170 PolarHBondContact OE1-NE 3.3Å; E128-R170 VanDerWaalsContact OE1-NE 3.08Å; E128-R170 IonicContact OE1-NH1 3.44Å; E128-R170 IonicContact OE1-NH2 3.27Å; E128-R170 PolarHBondContact OE1-NH2 2.76Å; E128-R170 IonicContact OE2-NE 3.27Å
129D96.1Very high95.6Very high100 Ų10063.3 Ų63.354%0.53534%0.336SS..Hα-helixtrans-56.8-43.7175.2-65.2-10.2000111.6T127 F131 E132 H133T127-D129 VanDerWaalsContact C-N 3.26Å; T127-D129 PolarHBondContact O-N 3.01Å; D129-F131 VanDerWaalsContact C-N 3.35Å; D129-F131 PolarHBondContact O-N 2.79Å; D129-E132 PolarHBondContact O-N 3.36Å; D129-H133 PolarHBondContact O-CD2 3.14Å; D129-H133 PolarHBondContact O-N 2.97Å
130F98.1Very high95.8Very high0 Ų061.8 Ų61.80%032%0.322CS..Hα-helixtrans-58.9-46.5175.5163.6-104.3000111.7V83 K84 I87 Y114 I115 I118 F124 Y126 T127 E128 T134V83-F130 HydrophobicContact CG1-CE1 4.14Å; V83-F130 HydrophobicContact CG1-CZ 4.04Å; K84-F130 HydrophobicContact CB-CE2 4.16Å; K84-F130 HydrophobicContact CB-CZ 3.78Å; K84-F130 HydrophobicContact CG-CE2 4.31Å; K84-F130 HydrophobicContact CG-CZ 4.43Å; I87-F130 HydrophobicContact CG2-CE2 4.3Å; Y114-F130 HydrophobicContact CE1-CB 4.39Å; Y114-F130 HydrophobicContact CE1-CD2 4.29Å; Y114-F130 WeakPolarHBondContact OH-CB 3.28Å; I115-F130 HydrophobicContact CD1-CD2 4.24Å; I115-F130 HydrophobicContact CD1-CE2 4.15Å; I118-F130 HydrophobicContact CD1-CD2 3.53Å; I118-F130 HydrophobicContact CD1-CE2 3.72Å; F124-F130 HydrophobicContact CE1-CB 4.14Å; F124-F130 HydrophobicContact CE1-CD1 4.26Å; F124-F130 AromaticContact CE1-CD2 3.79Å; F124-F130 HydrophobicContact CE1-CD2 3.79Å; F124-F130 HydrophobicContact CE1-CE2 4.29Å; F124-F130 AromaticContact CE1-CG 3.77Å; F124-F130 HydrophobicContact CE1-CG 3.77Å; F124-F130 HydrophobicContact CZ-CB 4.02Å; F124-F130 AromaticContact CZ-CD2 3.93Å; F124-F130 HydrophobicContact CZ-CD2 3.93Å; F124-F130 HydrophobicContact CZ-CG 4.03Å; Y126-F130 HydrophobicContact CD1-CD1 4.11Å; Y126-F130 AromaticContact CD1-CE1 3.86Å; Y126-F130 HydrophobicContact CD1-CE1 3.86Å; Y126-F130 HydrophobicContact CD1-CZ 4.47Å; T127-F130 WeakPolarHBondContact O-CB 3.35Å; T127-F130 PolarHBondContact O-N 3.16Å; T127-F130 PolarHBondContact OG1-N 3.27Å; E128-F130 VanDerWaalsContact C-N 3.3Å; E128-F130 PolarHBondContact O-N 2.99Å; F130-T134 WeakPolarHBondContact CE2-OG1 3.32Å; F130-T134 WeakPolarHBondContact O-CB 3.32Å; F130-T134 PolarHBondContact O-N 3.35Å; F130-T134 PolarHBondContact O-OG1 3.29Å
131F98.3Very high95.9Very high1 Ų162.2 Ų62.20%0.00432%0.318CS..Hα-helixtrans-66.9-37.5179.7-70.1-67.7000111.9R80 Y126 T127 E128 D129 T134 Q135 L166 V169 R170R80-F131 HydrophobicContact CG-CZ 4.09Å; Y126-F131 WeakPolarHBondContact O-CE2 3.38Å; T127-F131 WeakPolarHBondContact O-CD2 3.47Å; T127-F131 PolarHBondContact O-N 3.35Å; E128-F131 PolarHBondContact O-N 2.89Å; E128-F131 VanDerWaalsContact O-N 3.1Å; D129-F131 VanDerWaalsContact C-N 3.35Å; D129-F131 PolarHBondContact O-N 2.79Å; F131-T134 PolarHBondContact O-N 3.36Å; F131-Q135 VanDerWaalsContact O-CB 3.29Å; F131-Q135 WeakPolarHBondContact O-CB 3.25Å; F131-Q135 PolarHBondContact O-N 3.07Å; F131-L166 HydrophobicContact CD1-CD2 4.05Å; F131-V169 HydrophobicContact CE1-CG1 4.24Å; F131-R170 HydrophobicContact CB-CB 3.94Å; F131-R170 HydrophobicContact CD1-CB 3.76Å; F131-R170 HydrophobicContact CD2-CB 3.49Å; F131-R170 VanDerWaalsContact CD2-CB 3.49Å; F131-R170 HydrophobicContact CE1-CB 4.09Å; F131-R170 HydrophobicContact CE2-CB 3.85Å; F131-R170 HydrophobicContact CG-CB 3.45Å; F131-R170 VanDerWaalsContact CG-CB 3.45Å; F131-R170 HydrophobicContact CZ-CB 4.14Å
132E98.1Very high96.2Very high87 Ų8758.5 Ų58.541%0.40730%0.3SS..Hα-helixtrans-66.1-45.3177.1-161.4-154.3121.400111.9R111 E128 D129 T134 Q135 K136R111-E132 IonicContact CZ-OE1 2.94Å; R111-E132 PolarHBondContact NH1-O 2.95Å; R111-E132 IonicContact NH1-OE1 2.72Å; R111-E132 PolarHBondContact NH1-OE1 3.5Å; R111-E132 IonicContact NH2-OE1 2.82Å; R111-E132 PolarHBondContact NH2-OE1 3.48Å; E128-E132 PolarHBondContact O-N 3.49Å; D129-E132 PolarHBondContact O-N 3.36Å; E132-T134 VanDerWaalsContact C-N 3.32Å; E132-T134 PolarHBondContact O-N 3.15Å; E132-Q135 PolarHBondContact O-N 2.85Å; E132-K136 WeakPolarHBondContact O-CB 3.29Å; E132-K136 WeakPolarHBondContact O-CG 3.43Å; E132-K136 PolarHBondContact O-N 2.84Å
133H98.5Very high96.8Very high27 Ų2752.4 Ų52.413%0.12526%0.258CS..Hα-helixtrans-58.4-46173.2-72.1-58000111.8F110 R111 Y114 I115 D129 L137F110-H133 AromaticContact CE2-CE1 3.65Å; R111-H133 HydrophobicContact CB-CB 4.41Å; R111-H133 WeakPolarHBondContact CG-ND1 3.32Å; R111-H133 PolarHBondContact NH1-ND1 3.26Å; Y114-H133 HydrophobicContact CD1-CB 3.83Å; Y114-H133 AromaticContact CD1-CD2 3.32Å; Y114-H133 WeakPolarHBondContact CD1-CD2 3.47Å; Y114-H133 AromaticContact CD1-CG 3.66Å; Y114-H133 AromaticContact CD2-CD2 3.94Å; Y114-H133 AromaticContact CD2-NE2 3.97Å; Y114-H133 HydrophobicContact CE1-CB 4.13Å; Y114-H133 AromaticContact CE1-CD2 3.49Å; Y114-H133 VanDerWaalsContact CE1-CD2 3.49Å; Y114-H133 WeakPolarHBondContact CE1-CD2 3.41Å; Y114-H133 AromaticContact CG-CD2 3.57Å; Y114-H133 AromaticContact CG-NE2 3.83Å; Y114-H133 AromaticContact CZ-CD2 3.86Å; I115-H133 HydrophobicContact CD1-CB 4.43Å; D129-H133 PolarHBondContact O-CD2 3.14Å; D129-H133 PolarHBondContact O-N 2.97Å; H133-L137 WeakPolarHBondContact O-CB 3.43Å; H133-L137 VanDerWaalsContact O-CG 3.31Å; H133-L137 WeakPolarHBondContact O-CG 3.31Å; H133-L137 PolarHBondContact O-N 3.21Å
134T98.6Very high97.3Very high0 Ų049.1 Ų49.10%024%0.236CC..Hα-helixtrans-63.9-44.6-180-58.50000111.7V83 I87 F130 F131 E132 L137 W138 L163 L166V83-T134 HydrophobicContact CG1-CG2 4.05Å; I87-T134 HydrophobicContact CB-CG2 3.94Å; I87-T134 HydrophobicContact CD1-CG2 4.45Å; I87-T134 HydrophobicContact CG1-CG2 3.99Å; I87-T134 HydrophobicContact CG2-CG2 4.01Å; F130-T134 WeakPolarHBondContact CE2-OG1 3.32Å; F130-T134 WeakPolarHBondContact O-CB 3.32Å; F130-T134 PolarHBondContact O-N 3.35Å; F130-T134 PolarHBondContact O-OG1 3.29Å; F131-T134 PolarHBondContact O-N 3.36Å; E132-T134 VanDerWaalsContact C-N 3.32Å; E132-T134 PolarHBondContact O-N 3.15Å; T134-L137 PolarHBondContact O-N 2.99Å; T134-W138 WeakPolarHBondContact O-CB 3.2Å; T134-W138 PolarHBondContact O-N 2.97Å; T134-L163 HydrophobicContact CG2-CD2 3.66Å; T134-L166 HydrophobicContact CG2-CD1 3.87Å; T134-L166 HydrophobicContact CG2-CD2 3.92Å
135Q98.4Very high97.6Very high38 Ų3850 Ų5018%0.17825%0.249CC..Hα-helixtrans-63.1-48.1179.4-177.3167.525.600111.4F131 E132 L137 W138 E139 L166 D167 R170F131-Q135 VanDerWaalsContact O-CB 3.29Å; F131-Q135 WeakPolarHBondContact O-CB 3.25Å; F131-Q135 PolarHBondContact O-N 3.07Å; E132-Q135 PolarHBondContact O-N 2.85Å; Q135-L137 VanDerWaalsContact C-N 3.3Å; Q135-L137 PolarHBondContact O-N 2.94Å; Q135-W138 PolarHBondContact O-N 3.17Å; Q135-E139 WeakPolarHBondContact O-CG 3.29Å; Q135-E139 PolarHBondContact O-N 3.46Å; Q135-L166 HydrophobicContact CB-CD1 3.98Å; Q135-D167 PolarHBondContact NE2-OD1 2.97Å; Q135-R170 VanDerWaalsContact OE1-NH1 3.12Å
136K98.4Very high97.9Very high84 Ų8442.5 Ų42.537%0.36521%0.213SC..Hα-helixtrans-65.2-33.6179.6-71.8-73.8156.9-141.30113.1E132 E139E132-K136 WeakPolarHBondContact O-CB 3.29Å; E132-K136 WeakPolarHBondContact O-CG 3.43Å; E132-K136 PolarHBondContact O-N 2.84Å; K136-E139 IonicContact NZ-OE2 2.62Å; K136-E139 PolarHBondContact NZ-OE2 3.13Å
137L98.6Very high98Very high0 Ų042 Ų420%021%0.212CC..Hα-helixtrans-72.3-41.7172.3-73.4172.4000111.8I87 V91 L103 N108 R111 V112 I115 H133 T134 Q135 E139 D140 I143I87-L137 HydrophobicContact CD1-CB 4.13Å; V91-L137 HydrophobicContact CG2-CD1 4.18Å; L103-L137 HydrophobicContact CD2-CD2 4.24Å; N108-L137 HydrophobicContact CB-CD2 4.08Å; R111-L137 HydrophobicContact CB-CD1 3.94Å; R111-L137 HydrophobicContact CB-CD2 4.02Å; R111-L137 HydrophobicContact CB-CG 3.85Å; V112-L137 HydrophobicContact CG2-CD2 3.78Å; I115-L137 HydrophobicContact CB-CD1 4.46Å; I115-L137 HydrophobicContact CG1-CD1 3.57Å; H133-L137 WeakPolarHBondContact O-CB 3.43Å; H133-L137 VanDerWaalsContact O-CG 3.31Å; H133-L137 WeakPolarHBondContact O-CG 3.31Å; H133-L137 PolarHBondContact O-N 3.21Å; T134-L137 PolarHBondContact O-N 2.99Å; Q135-L137 VanDerWaalsContact C-N 3.3Å; Q135-L137 PolarHBondContact O-N 2.94Å; L137-E139 PolarHBondContact O-N 3.43Å; L137-D140 WeakPolarHBondContact O-CB 3.44Å; L137-D140 PolarHBondContact O-N 2.62Å; L137-I143 HydrophobicContact CB-CD1 4.49Å; L137-I143 HydrophobicContact CB-CG1 4.29Å; L137-I143 HydrophobicContact CD2-CD1 4.48Å; L137-I143 HydrophobicContact CD2-CG1 4.37Å; L137-I143 WeakPolarHBondContact O-CB 3.34Å; L137-I143 VanDerWaalsContact O-CG1 3.26Å; L137-I143 WeakPolarHBondContact O-CG1 3.22Å; L137-I143 WeakPolarHBondContact O-CG2 3.22Å
138W98.4Very high98.1Very high25 Ų2544.4 Ų44.410%0.09522%0.22CC..Hα-helixtrans-63.3-27.9178.4-174-126.9000113.1I90 T134 Q135 D140 I143 K144 F147 K160 L163 D164I90-W138 HydrophobicContact CD1-CZ3 4.1Å; T134-W138 WeakPolarHBondContact O-CB 3.2Å; T134-W138 PolarHBondContact O-N 2.97Å; Q135-W138 PolarHBondContact O-N 3.17Å; W138-D140 VanDerWaalsContact C-N 3.33Å; W138-I143 HydrophobicContact CE3-CG2 3.9Å; W138-I143 HydrophobicContact CZ3-CG2 4.36Å; W138-K144 VanDerWaalsContact O-CE 3.29Å; W138-K144 WeakPolarHBondContact O-CE 3.24Å; W138-F147 HydrophobicContact CH2-CB 4.12Å; W138-F147 AromaticContact CH2-CD1 3.88Å; W138-F147 HydrophobicContact CH2-CD1 3.88Å; W138-F147 AromaticContact CH2-CD2 3.91Å; W138-F147 HydrophobicContact CH2-CD2 3.91Å; W138-F147 HydrophobicContact CH2-CE1 4.34Å; W138-F147 HydrophobicContact CH2-CE2 4.37Å; W138-F147 AromaticContact CH2-CG 3.66Å; W138-F147 HydrophobicContact CH2-CG 3.66Å; W138-F147 HydrophobicContact CZ3-CB 3.9Å; W138-F147 HydrophobicContact CZ3-CD2 4.14Å; W138-F147 AromaticContact CZ3-CG 3.91Å; W138-F147 HydrophobicContact CZ3-CG 3.91Å; W138-K160 HydrophobicContact CZ2-CG 4.12Å; W138-L163 HydrophobicContact CD2-CB 3.73Å; W138-L163 HydrophobicContact CD2-CD1 3.97Å; W138-L163 HydrophobicContact CD2-CG 4.37Å; W138-L163 HydrophobicContact CE3-CB 4.36Å; W138-L163 HydrophobicContact CE3-CD1 3.71Å; W138-L163 HydrophobicContact CG-CB 3.86Å; W138-L163 HydrophobicContact CH2-CD1 4.29Å; W138-L163 HydrophobicContact CZ2-CB 4.21Å; W138-L163 HydrophobicContact CZ3-CD1 3.89Å; W138-D164 PolarHBondContact NE1-OD1 3.08Å
139E98.1Very high98.1Very high87 Ų8742.5 Ų42.541%0.40721%0.209SC..THydrogen-bonded Turntrans-73.1-20.8172.4-71.8168.5-18000113.6Q135 K136 L137 K144Q135-E139 WeakPolarHBondContact O-CG 3.29Å; Q135-E139 PolarHBondContact O-N 3.46Å; K136-E139 IonicContact NZ-OE2 2.62Å; K136-E139 PolarHBondContact NZ-OE2 3.13Å; L137-E139 PolarHBondContact O-N 3.43Å; E139-K144 WeakPolarHBondContact O-CE 3.3Å; E139-K144 PolarHBondContact O-NZ 2.97Å
140D98.7Very high98.1Very high8 Ų839.1 Ų39.14%0.04319%0.193CC..  trans-70.5131.4-176.2-171.7-75.2000112.3G104 N105 N108 L137 W138 G142 I143 K144G104-D140 WeakPolarHBondContact CA-OD1 3.46Å; G104-D140 PolarHBondContact N-OD1 3.15Å; N105-D140 PolarHBondContact N-OD2 3.45Å; N108-D140 PolarHBondContact ND2-OD2 3.44Å; L137-D140 WeakPolarHBondContact O-CB 3.44Å; L137-D140 PolarHBondContact O-N 2.62Å; W138-D140 VanDerWaalsContact C-N 3.33Å; D140-G142 VanDerWaalsContact C-N 3.27Å; D140-G142 PolarHBondContact O-N 2.76Å; D140-G142 WeakPolarHBondContact OD1-CA 3.35Å; D140-G142 PolarHBondContact OD1-N 3.37Å; D140-I143 HydrophobicContact CB-CB 4.21Å; D140-I143 HydrophobicContact CB-CG1 4.02Å; D140-I143 WeakPolarHBondContact O-CB 3.36Å; D140-I143 PolarHBondContact O-N 2.98Å; D140-I143 VanDerWaalsContact O-N 3.14Å; D140-I143 PolarHBondContact OD1-N 2.84Å; D140-K144 PolarHBondContact O-N 3.47Å
141D98.4Very high98Very high117 Ų11740.8 Ų40.863%0.62620%0.202SC*.Hα-helixtrans-65.6-29-176.4-68.1-28.6000113.2K144 A145D141-K144 IonicContact OD1-NZ 3.46Å; D141-A145 VanDerWaalsContact O-CB 3.26Å; D141-A145 WeakPolarHBondContact O-CB 3.49Å; D141-A145 PolarHBondContact O-N 3.32Å
142G98.3Very high97.9Very high5 Ų545.2 Ų45.25%0.05222%0.223CC..Hα-helixtrans-69.1-39.2173.800000112.1V101 P102 D140 A145 C146V101-G142 VanDerWaalsContact CG1-O 3.28Å; V101-G142 WeakPolarHBondContact CG1-O 3.38Å; P102-G142 WeakPolarHBondContact O-CA 3.23Å; D140-G142 VanDerWaalsContact C-N 3.27Å; D140-G142 PolarHBondContact O-N 2.76Å; D140-G142 WeakPolarHBondContact OD1-CA 3.35Å; D140-G142 PolarHBondContact OD1-N 3.37Å; G142-A145 PolarHBondContact O-N 2.86Å; G142-C146 WeakPolarHBondContact O-CB 3.33Å; G142-C146 PolarHBondContact O-N 3.45Å
143I98.5Very high97.8Very high0 Ų042.4 Ų42.40%021%0.209CC..Hα-helixtrans-65.9-45174.7-68.2-78.6000110.5I87 I90 V91 M94 L103 L137 W138 D140 C146 F147I87-I143 HydrophobicContact CD1-CG2 4.48Å; I90-I143 HydrophobicContact CG2-CD1 4.36Å; I90-I143 HydrophobicContact CG2-CG2 3.98Å; V91-I143 HydrophobicContact CG2-CD1 3.72Å; M94-I143 HydrophobicContact CE-CD1 4.35Å; M94-I143 HydrophobicContact CG-CD1 4.46Å; M94-I143 HydrophobicContact SD-CD1 3.33Å; M94-I143 WeakPolarHBondContact SD-CD1 3.41Å; M94-I143 HydrophobicContact SD-CG1 4.1Å; L103-I143 HydrophobicContact CD2-CG1 4.33Å; L137-I143 HydrophobicContact CB-CD1 4.49Å; L137-I143 HydrophobicContact CB-CG1 4.29Å; L137-I143 HydrophobicContact CD2-CD1 4.48Å; L137-I143 HydrophobicContact CD2-CG1 4.37Å; L137-I143 WeakPolarHBondContact O-CB 3.34Å; L137-I143 VanDerWaalsContact O-CG1 3.26Å; L137-I143 WeakPolarHBondContact O-CG1 3.22Å; L137-I143 WeakPolarHBondContact O-CG2 3.22Å; W138-I143 HydrophobicContact CE3-CG2 3.9Å; W138-I143 HydrophobicContact CZ3-CG2 4.36Å; D140-I143 HydrophobicContact CB-CB 4.21Å; D140-I143 HydrophobicContact CB-CG1 4.02Å; D140-I143 WeakPolarHBondContact O-CB 3.36Å; D140-I143 PolarHBondContact O-N 2.98Å; D140-I143 VanDerWaalsContact O-N 3.14Å; D140-I143 PolarHBondContact OD1-N 2.84Å; I143-C146 WeakPolarHBondContact O-CB 3.32Å; I143-C146 PolarHBondContact O-N 3.43Å; I143-F147 PolarHBondContact O-N 2.86Å
144K98.3Very high97.7Very high84 Ų8442.8 Ų42.837%0.36521%0.21SC..Hα-helixtrans-60.5-44.9174.5-70.3168.7-179.9153.90111.6W138 E139 D140 D141 C146 F147 E148W138-K144 VanDerWaalsContact O-CE 3.29Å; W138-K144 WeakPolarHBondContact O-CE 3.24Å; E139-K144 WeakPolarHBondContact O-CE 3.3Å; E139-K144 PolarHBondContact O-NZ 2.97Å; D140-K144 PolarHBondContact O-N 3.47Å; D141-K144 IonicContact OD1-NZ 3.46Å; K144-C146 VanDerWaalsContact C-N 3.3Å; K144-C146 PolarHBondContact O-N 3.45Å; K144-F147 WeakPolarHBondContact O-CB 3.32Å; K144-F147 PolarHBondContact O-N 3.06Å; K144-F147 VanDerWaalsContact O-N 3.14Å; K144-E148 WeakPolarHBondContact O-CG 3.04Å; K144-E148 PolarHBondContact O-N 3.47Å
145A97.9Very high97.6Very high46 Ų4643.1 Ų43.138%0.3821%0.212SC..Hα-helixtrans-61.4-38.117600000112.4V101 D141 G142 E148V101-A145 HydrophobicContact CG1-CB 4.09Å; D141-A145 VanDerWaalsContact O-CB 3.26Å; D141-A145 WeakPolarHBondContact O-CB 3.49Å; D141-A145 PolarHBondContact O-N 3.32Å; G142-A145 PolarHBondContact O-N 2.86Å; A145-E148 PolarHBondContact O-N 2.99Å
146C98.4Very high97.5Very high0 Ų042.1 Ų42.10%021%0.208CC..Hα-helixtrans-66.9-39173.6-172.10000112.1I90 M94 V101 G142 I143 K144 R149 Y153I90-C146 HydrophobicContact CG2-CB 4.11Å; I90-C146 PolarHBondContact O-SG 3.26Å; M94-C146 HydrophobicContact CG-CB 3.85Å; V101-C146 HydrophobicContact CB-CB 4.36Å; V101-C146 HydrophobicContact CG1-CB 4.33Å; V101-C146 HydrophobicContact CG2-CB 4.48Å; G142-C146 WeakPolarHBondContact O-CB 3.33Å; G142-C146 PolarHBondContact O-N 3.45Å; I143-C146 WeakPolarHBondContact O-CB 3.32Å; I143-C146 PolarHBondContact O-N 3.43Å; K144-C146 VanDerWaalsContact C-N 3.3Å; K144-C146 PolarHBondContact O-N 3.45Å; C146-R149 CarbonylContact O-C 3.59Å; C146-R149 PolarHBondContact O-N 3.46Å; C146-Y153 WeakPolarHBondContact O-CE1 3.38Å; C146-Y153 PolarHBondContact O-OH 3.03Å
147F98.1Very high97.3Very high32 Ų3242.1 Ų42.114%0.1421%0.212CC..Hα-helixtrans-63.4-39174.9172.4-95.6000112.5I90 W138 I143 K144 R149 S150 L155 A159 K160I90-F147 HydrophobicContact CD1-CB 4.5Å; I90-F147 HydrophobicContact CD1-CD2 4.05Å; W138-F147 HydrophobicContact CH2-CB 4.12Å; W138-F147 AromaticContact CH2-CD1 3.88Å; W138-F147 HydrophobicContact CH2-CD1 3.88Å; W138-F147 AromaticContact CH2-CD2 3.91Å; W138-F147 HydrophobicContact CH2-CD2 3.91Å; W138-F147 HydrophobicContact CH2-CE1 4.34Å; W138-F147 HydrophobicContact CH2-CE2 4.37Å; W138-F147 AromaticContact CH2-CG 3.66Å; W138-F147 HydrophobicContact CH2-CG 3.66Å; W138-F147 HydrophobicContact CZ3-CB 3.9Å; W138-F147 HydrophobicContact CZ3-CD2 4.14Å; W138-F147 AromaticContact CZ3-CG 3.91Å; W138-F147 HydrophobicContact CZ3-CG 3.91Å; I143-F147 PolarHBondContact O-N 2.86Å; K144-F147 WeakPolarHBondContact O-CB 3.32Å; K144-F147 PolarHBondContact O-N 3.06Å; K144-F147 VanDerWaalsContact O-N 3.14Å; F147-R149 PolarHBondContact O-N 2.84Å; F147-R149 VanDerWaalsContact O-N 3.15Å; F147-S150 WeakPolarHBondContact O-CB 3.27Å; F147-S150 PolarHBondContact O-N 3.09Å; F147-S150 PolarHBondContact O-OG 3.33Å; F147-L155 HydrophobicContact CD2-CD2 3.53Å; F147-L155 HydrophobicContact CE2-CD2 3.59Å; F147-A159 HydrophobicContact CE2-CB 4.4Å; F147-K160 HydrophobicContact CE1-CB 4.36Å; F147-K160 HydrophobicContact CE1-CD 4.21Å; F147-K160 HydrophobicContact CE1-CG 4.46Å; F147-K160 HydrophobicContact CE2-CB 4.16Å; F147-K160 HydrophobicContact CZ-CB 3.68Å; F147-K160 HydrophobicContact CZ-CD 4.25Å; F147-K160 HydrophobicContact CZ-CG 4.25Å
148E96.4Very high97.1Very high100 Ų10042.5 Ų42.547%0.46721%0.214SC..Hα-helixtrans-62.2-20.7175.5-69.9-58.8136.300113.2K144 A145 K289K144-E148 WeakPolarHBondContact O-CG 3.04Å; K144-E148 PolarHBondContact O-N 3.47Å; A145-E148 PolarHBondContact O-N 2.99Å; E148-K289 IonicContact OE2-NZ 2.6Å; E148-K289 PolarHBondContact OE2-NZ 3.44Å
149R97.1Very high97.1Very high51 Ų5141.4 Ų41.419%0.19221%0.21CC..THydrogen-bonded Turntrans-97.917.2174-65.7177.864-171.40.3113.1L97 T98 P99 C146 F147 N151 E152 Y153L97-R149 HydrophobicContact CD1-CB 4.11Å; T98-R149 PolarHBondContact O-NH2 3.4Å; P99-R149 PolarHBondContact O-NH1 3.1Å; C146-R149 CarbonylContact O-C 3.59Å; C146-R149 PolarHBondContact O-N 3.46Å; F147-R149 PolarHBondContact O-N 2.84Å; F147-R149 VanDerWaalsContact O-N 3.15Å; R149-N151 PolarHBondContact O-N 3.05Å; R149-E152 WeakPolarHBondContact CB-OE1 3.49Å; R149-E152 IonicContact CZ-OE1 3.53Å; R149-E152 IonicContact CZ-OE2 3.86Å; R149-E152 IonicContact NE-OE1 3.02Å; R149-E152 PolarHBondContact NE-OE1 3.32Å; R149-E152 IonicContact NE-OE2 3.46Å; R149-E152 IonicContact NH2-OE1 2.84Å; R149-E152 PolarHBondContact NH2-OE1 3.34Å; R149-E152 IonicContact NH2-OE2 3.85Å; R149-E152 PolarHBondContact NH2-OE2 2.64Å; R149-E152 WeakPolarHBondContact O-CB 3.17Å; R149-E152 PolarHBondContact O-N 3.29Å; R149-Y153 WeakPolarHBondContact O-CE1 3.45Å
150S96.8Very high97.1Very high30 Ų3042 Ų4221%0.2121%0.212CC..G310 helixtrans-63.1-9.8-17755.60000115.3F147 E152F147-S150 WeakPolarHBondContact O-CB 3.27Å; F147-S150 PolarHBondContact O-N 3.09Å; F147-S150 PolarHBondContact O-OG 3.33Å; S150-E152 PolarHBondContact O-N 2.94Å
151N95.6Very high97.1Very high35 Ų3543.6 Ų43.619%0.18722%0.217CC..G310 helixtrans-72.3-15.917069.3-73.9000113.4R149 N238 M239R149-N151 PolarHBondContact O-N 3.05Å; N151-N238 WeakPolarHBondContact CB-ND2 3.3Å; N151-M239 HydrophobicContact CB-CG 4.21Å
152E96.1Very high97.1Very high94 Ų9438.1 Ų38.144%0.43919%0.188SC..G310 helixtrans-87.5-5.3179.9-61.4177.2-126.500113L97 R149 S150L97-E152 HydrophobicContact CD2-CB 3.63Å; L97-E152 HydrophobicContact CD2-CG 4.41Å; R149-E152 WeakPolarHBondContact CB-OE1 3.49Å; R149-E152 IonicContact CZ-OE1 3.53Å; R149-E152 IonicContact CZ-OE2 3.86Å; R149-E152 IonicContact NE-OE1 3.02Å; R149-E152 PolarHBondContact NE-OE1 3.32Å; R149-E152 IonicContact NE-OE2 3.46Å; R149-E152 IonicContact NH2-OE1 2.84Å; R149-E152 PolarHBondContact NH2-OE1 3.34Å; R149-E152 IonicContact NH2-OE2 3.85Å; R149-E152 PolarHBondContact NH2-OE2 2.64Å; R149-E152 WeakPolarHBondContact O-CB 3.17Å; R149-E152 PolarHBondContact O-N 3.29Å; S150-E152 PolarHBondContact O-N 2.94Å
153Y96.9Very high97.1Very high28 Ų2838 Ų3811%0.1119%0.186CC..THydrogen-bonded Turntrans-147.7177.1177.757.1-89.4000111.8T89 A93 L97 C146 R149 L155T89-Y153 HydrophobicContact CG2-CD2 3.82Å; T89-Y153 HydrophobicContact CG2-CE2 4.05Å; A93-Y153 HydrophobicContact CB-CD1 3.6Å; A93-Y153 HydrophobicContact CB-CD2 3.82Å; A93-Y153 HydrophobicContact CB-CE1 3.63Å; A93-Y153 HydrophobicContact CB-CE2 3.86Å; A93-Y153 HydrophobicContact CB-CG 3.69Å; L97-Y153 HydrophobicContact CD1-CE1 4.23Å; L97-Y153 HydrophobicContact CD2-CD1 3.98Å; L97-Y153 HydrophobicContact CD2-CE1 4.38Å; C146-Y153 WeakPolarHBondContact O-CE1 3.38Å; C146-Y153 PolarHBondContact O-OH 3.03Å; R149-Y153 WeakPolarHBondContact O-CE1 3.45Å; Y153-L155 HydrophobicContact CD2-CB 4.25Å; Y153-L155 HydrophobicContact CE2-CB 3.96Å; Y153-L155 HydrophobicContact CE2-CD2 4.37Å; Y153-L155 PolarHBondContact O-N 3.41Å
154Q96.2Very high97Very high34 Ų3442 Ų4216%0.15921%0.208CC..THydrogen-bonded Turntrans-92.580-171.9-59.4-60.4-23.900112.5V240 I241 R242 N245Q154-V240 PolarHBondContact NE2-O 3.46Å; Q154-V240 PolarHBondContact OE1-O 3.34Å; Q154-I241 PolarHBondContact NE2-O 2.93Å; Q154-R242 HydrophobicContact CB-CG 4.14Å; Q154-R242 HydrophobicContact CG-CB 4.49Å; Q154-R242 HydrophobicContact CG-CG 3.91Å; Q154-N245 WeakPolarHBondContact CG-OD1 3.32Å; Q154-N245 PolarHBondContact NE2-OD1 2.97Å
155L96.9Very high97Very high8 Ų841.3 Ų41.34%0.04220%0.203CC..  trans-93.8146.9174.4-16860.4000112.3A86 T89 I90 F147 Y153 A159A86-L155 HydrophobicContact CB-CD1 4.48Å; T89-L155 HydrophobicContact CG2-CD1 3.98Å; I90-L155 HydrophobicContact CD1-CD1 4.34Å; I90-L155 HydrophobicContact CD1-CD2 4.28Å; I90-L155 HydrophobicContact CG1-CD1 3.9Å; I90-L155 HydrophobicContact CG1-CD2 4.09Å; F147-L155 HydrophobicContact CD2-CD2 3.53Å; F147-L155 HydrophobicContact CE2-CD2 3.59Å; Y153-L155 HydrophobicContact CD2-CB 4.25Å; Y153-L155 HydrophobicContact CE2-CB 3.96Å; Y153-L155 HydrophobicContact CE2-CD2 4.37Å; Y153-L155 PolarHBondContact O-N 3.41Å; L155-A159 HydrophobicContact CD1-CB 3.92Å; L155-A159 HydrophobicContact CD2-CB 3.89Å; L155-A159 HydrophobicContact CG-CB 3.84Å
156I95.2Very high97Very high17 Ų1739.3 Ų39.39%0.08719%0.186CC..  trans-75.4140.4172.458.4178.2000111N82 A86 C158 A159 R185N82-I156 HydrophobicContact CB-CD1 3.85Å; N82-I156 WeakPolarHBondContact O-CD1 3.5Å; A86-I156 HydrophobicContact CB-CD1 4.24Å; A86-I156 HydrophobicContact CB-CG1 4.34Å; I156-C158 PolarHBondContact O-N 3.25Å; I156-C158 VanDerWaalsContact O-N 3.15Å; I156-A159 HydrophobicContact CG1-CB 4.18Å; I156-A159 VanDerWaalsContact O-CB 3.29Å; I156-A159 WeakPolarHBondContact O-CB 3.34Å; I156-A159 PolarHBondContact O-N 3.39Å; I156-A159 VanDerWaalsContact O-N 3.13Å; I156-R185 HydrophobicContact CG2-CG 4.26Å
157D93.4Very high96.8Very high84 Ų8443.4 Ų43.445%0.44921%0.207SC..THydrogen-bonded Turntrans-61.1-28.9-175.3-57.5-62.3000113.5A159 K277D157-A159 VanDerWaalsContact C-N 3.29Å; D157-A159 PolarHBondContact O-N 2.89Å; D157-K277 IonicContact OD1-NZ 2.8Å; D157-K277 PolarHBondContact OD1-NZ 3.15Å; D157-K277 IonicContact OD2-NZ 2.61Å; D157-K277 PolarHBondContact OD2-NZ 2.86Å
158C96.3Very high96.8Very high8 Ų843.8 Ų43.85%0.05421%0.214CC..THydrogen-bonded Turntrans-83.92.2-177.859.80000114.3I156 K160 Y161 F162 R183I156-C158 PolarHBondContact O-N 3.25Å; I156-C158 VanDerWaalsContact O-N 3.15Å; C158-K160 PolarHBondContact O-N 3.48Å; C158-Y161 PolarHBondContact O-N 2.93Å; C158-F162 HydrophobicContact CB-CD2 3.83Å; C158-F162 HydrophobicContact CB-CE2 3.7Å; C158-F162 WeakPolarHBondContact O-CD2 3.35Å; C158-F162 PolarHBondContact O-N 3.45Å; C158-F162 VanDerWaalsContact O-N 3.15Å; C158-R183 HydrophobicContact CB-CB 4.11Å; C158-R183 WeakPolarHBondContact CB-O 3.13Å; C158-R183 PolarHBondContact SG-O 2.77Å; C158-R183 VanDerWaalsContact SG-O 3.41Å
159A97.8Very high96.8Very high1 Ų139.1 Ų39.11%0.00819%0.192CC..Hα-helixtrans-52.3-58.4-176.500000112.2A86 F147 L155 I156 D157 Y161 F162 L163A86-A159 HydrophobicContact CB-CB 3.64Å; F147-A159 HydrophobicContact CE2-CB 4.4Å; L155-A159 HydrophobicContact CD1-CB 3.92Å; L155-A159 HydrophobicContact CD2-CB 3.89Å; L155-A159 HydrophobicContact CG-CB 3.84Å; I156-A159 HydrophobicContact CG1-CB 4.18Å; I156-A159 VanDerWaalsContact O-CB 3.29Å; I156-A159 WeakPolarHBondContact O-CB 3.34Å; I156-A159 PolarHBondContact O-N 3.39Å; I156-A159 VanDerWaalsContact O-N 3.13Å; D157-A159 VanDerWaalsContact C-N 3.29Å; D157-A159 PolarHBondContact O-N 2.89Å; A159-Y161 VanDerWaalsContact C-N 3.33Å; A159-Y161 PolarHBondContact O-N 3.5Å; A159-F162 PolarHBondContact O-N 2.62Å; A159-L163 WeakPolarHBondContact O-CB 3.49Å; A159-L163 VanDerWaalsContact O-CG 3.23Å; A159-L163 WeakPolarHBondContact O-CG 3.41Å; A159-L163 PolarHBondContact O-N 3.32Å
160K97.6Very high96.8Very high100 Ų10040.2 Ų40.244%0.43520%0.197SC..Hα-helixtrans-56.5-46.9-179.9-172.2-178.3-169.2-55.10112W138 F147 C158 F162 L163 D164W138-K160 HydrophobicContact CZ2-CG 4.12Å; F147-K160 HydrophobicContact CE1-CB 4.36Å; F147-K160 HydrophobicContact CE1-CD 4.21Å; F147-K160 HydrophobicContact CE1-CG 4.46Å; F147-K160 HydrophobicContact CE2-CB 4.16Å; F147-K160 HydrophobicContact CZ-CB 3.68Å; F147-K160 HydrophobicContact CZ-CD 4.25Å; F147-K160 HydrophobicContact CZ-CG 4.25Å; C158-K160 PolarHBondContact O-N 3.48Å; K160-F162 VanDerWaalsContact C-N 3.34Å; K160-F162 PolarHBondContact O-N 2.68Å; K160-L163 PolarHBondContact O-N 3.22Å; K160-D164 WeakPolarHBondContact CG-OD2 3.44Å; K160-D164 IonicContact NZ-OD1 3.72Å; K160-D164 IonicContact NZ-OD2 3Å; K160-D164 PolarHBondContact NZ-OD2 3.29Å; K160-D164 WeakPolarHBondContact O-CB 3.46Å; K160-D164 PolarHBondContact O-N 3.03Å
161Y97.9Very high96.7Very high41 Ų4144.4 Ų44.416%0.16121%0.211CC..Hα-helixtrans-59-42.9-176.1174.5-97.5000113.1C158 A159 R165 Q179 D180 R183C158-Y161 PolarHBondContact O-N 2.93Å; A159-Y161 VanDerWaalsContact C-N 3.33Å; A159-Y161 PolarHBondContact O-N 3.5Å; Y161-R165 WeakPolarHBondContact O-CG 3.4Å; Y161-R165 PolarHBondContact OH-NH1 2.87Å; Y161-Q179 HydrophobicContact CE2-CG 4.49Å; Y161-Q179 WeakPolarHBondContact OH-CG 3.14Å; Y161-D180 WeakPolarHBondContact CE1-OD1 3.5Å; Y161-D180 VanDerWaalsContact CZ-OD1 3.26Å; Y161-D180 PolarHBondContact OH-OD1 3.33Å; Y161-R183 HydrophobicContact CD1-CB 4.12Å; Y161-R183 HydrophobicContact CD1-CG 4.38Å; Y161-R183 HydrophobicContact CE1-CB 4.25Å; Y161-R183 HydrophobicContact CE1-CG 4.49Å
162F98.4Very high96.6Very high2 Ų249.7 Ų49.71%0.00925%0.245CC..Hα-helixtrans-81.9-34.6179.4-68.6-56.5000112.9I79 N82 V83 C158 A159 K160 D164 R165 L166 V169 D180 R183 C184I79-F162 HydrophobicContact CB-CE1 4.45Å; I79-F162 HydrophobicContact CD1-CE1 4.49Å; I79-F162 HydrophobicContact CG1-CE1 4.15Å; I79-F162 HydrophobicContact CG1-CZ 3.96Å; I79-F162 HydrophobicContact CG2-CD1 3.72Å; I79-F162 HydrophobicContact CG2-CE1 3.55Å; I79-F162 HydrophobicContact CG2-CG 4.33Å; I79-F162 HydrophobicContact CG2-CZ 4.01Å; N82-F162 HydrophobicContact CB-CD2 4.22Å; N82-F162 HydrophobicContact CB-CE2 4.36Å; V83-F162 HydrophobicContact CG2-CB 3.7Å; C158-F162 HydrophobicContact CB-CD2 3.83Å; C158-F162 HydrophobicContact CB-CE2 3.7Å; C158-F162 WeakPolarHBondContact O-CD2 3.35Å; C158-F162 PolarHBondContact O-N 3.45Å; C158-F162 VanDerWaalsContact O-N 3.15Å; A159-F162 PolarHBondContact O-N 2.62Å; K160-F162 VanDerWaalsContact C-N 3.34Å; K160-F162 PolarHBondContact O-N 2.68Å; F162-D164 VanDerWaalsContact C-N 3.32Å; F162-D164 PolarHBondContact O-N 2.65Å; F162-R165 CarbonylContact O-C 3.49Å; F162-R165 PolarHBondContact O-N 3.35Å; F162-R165 VanDerWaalsContact O-N 3.07Å; F162-L166 PolarHBondContact O-N 3.46Å; F162-V169 HydrophobicContact CD1-CG2 4.39Å; F162-D180 HydrophobicContact CE1-CB 4.14Å; F162-R183 HydrophobicContact CE2-CB 4.43Å; F162-R183 HydrophobicContact CZ-CB 4.25Å; F162-C184 HydrophobicContact CZ-CB 4.38Å
163L98.4Very high96.5Very high4 Ų451 Ų512%0.02126%0.255CS..Hα-helixtrans-65.9-34.4175.6-69.4170.3000112.2V83 A86 I87 I90 T134 W138 A159 K160 R165 L166V83-L163 HydrophobicContact CG1-CD2 4.27Å; A86-L163 HydrophobicContact CB-CD1 4.2Å; I87-L163 HydrophobicContact CB-CD2 4.33Å; I90-L163 HydrophobicContact CD1-CD1 3.86Å; T134-L163 HydrophobicContact CG2-CD2 3.66Å; W138-L163 HydrophobicContact CD2-CB 3.73Å; W138-L163 HydrophobicContact CD2-CD1 3.97Å; W138-L163 HydrophobicContact CD2-CG 4.37Å; W138-L163 HydrophobicContact CE3-CB 4.36Å; W138-L163 HydrophobicContact CE3-CD1 3.71Å; W138-L163 HydrophobicContact CG-CB 3.86Å; W138-L163 HydrophobicContact CH2-CD1 4.29Å; W138-L163 HydrophobicContact CZ2-CB 4.21Å; W138-L163 HydrophobicContact CZ3-CD1 3.89Å; A159-L163 WeakPolarHBondContact O-CB 3.49Å; A159-L163 VanDerWaalsContact O-CG 3.23Å; A159-L163 WeakPolarHBondContact O-CG 3.41Å; A159-L163 PolarHBondContact O-N 3.32Å; K160-L163 PolarHBondContact O-N 3.22Å; L163-R165 PolarHBondContact O-N 3.42Å; L163-L166 HydrophobicContact CD2-CD1 4.47Å; L163-L166 VanDerWaalsContact O-CD1 3.32Å; L163-L166 WeakPolarHBondContact O-CD1 3.3Å; L163-L166 VanDerWaalsContact O-CG 3.25Å; L163-L166 WeakPolarHBondContact O-CG 3.49Å
164D98.1Very high96.4Very high83 Ų8350.3 Ų50.344%0.44425%0.252SS..THydrogen-bonded Turntrans-70.4-13.6172.8-69.5-14000113.2W138 K160 F162W138-D164 PolarHBondContact NE1-OD1 3.08Å; K160-D164 WeakPolarHBondContact CG-OD2 3.44Å; K160-D164 IonicContact NZ-OD1 3.72Å; K160-D164 IonicContact NZ-OD2 3Å; K160-D164 PolarHBondContact NZ-OD2 3.29Å; K160-D164 WeakPolarHBondContact O-CB 3.46Å; K160-D164 PolarHBondContact O-N 3.03Å; F162-D164 VanDerWaalsContact C-N 3.32Å; F162-D164 PolarHBondContact O-N 2.65Å
165R97.3Very high96.3Very high69 Ų6953.3 Ų53.326%0.2627%0.273SS..THydrogen-bonded Turntrans-120.524.1-174.3-65.1-172.165.6-155.6-11.3113.2Y161 F162 L163 D167 S168 V169 D180Y161-R165 WeakPolarHBondContact O-CG 3.4Å; Y161-R165 PolarHBondContact OH-NH1 2.87Å; F162-R165 CarbonylContact O-C 3.49Å; F162-R165 PolarHBondContact O-N 3.35Å; F162-R165 VanDerWaalsContact O-N 3.07Å; L163-R165 PolarHBondContact O-N 3.42Å; R165-D167 PolarHBondContact O-N 3.06Å; R165-S168 WeakPolarHBondContact O-CB 3.33Å; R165-S168 PolarHBondContact O-N 2.63Å; R165-V169 PolarHBondContact O-N 3Å; R165-V169 VanDerWaalsContact O-N 3.1Å; R165-D180 IonicContact CZ-OD1 2.98Å; R165-D180 IonicContact NH1-OD1 2.79Å; R165-D180 PolarHBondContact NH1-OD1 3.06Å; R165-D180 IonicContact NH1-OD2 3.79Å; R165-D180 IonicContact NH2-OD2 2.75Å
166L97.2Very high96.3Very high5 Ų553 Ų533%0.02627%0.271CS..Hα-helixtrans-52.4-41.2179.4-72.8165.8000112.5V83 F131 T134 Q135 F162 L163 S168 V169 R170V83-L166 HydrophobicContact CG1-CD2 3.47Å; V83-L166 VanDerWaalsContact CG1-CD2 3.47Å; V83-L166 HydrophobicContact CG2-CD2 4.37Å; F131-L166 HydrophobicContact CD1-CD2 4.05Å; T134-L166 HydrophobicContact CG2-CD1 3.87Å; T134-L166 HydrophobicContact CG2-CD2 3.92Å; Q135-L166 HydrophobicContact CB-CD1 3.98Å; F162-L166 PolarHBondContact O-N 3.46Å; L163-L166 HydrophobicContact CD2-CD1 4.47Å; L163-L166 VanDerWaalsContact O-CD1 3.32Å; L163-L166 WeakPolarHBondContact O-CD1 3.3Å; L163-L166 VanDerWaalsContact O-CG 3.25Å; L163-L166 WeakPolarHBondContact O-CG 3.49Å; L166-S168 PolarHBondContact O-N 2.77Å; L166-V169 PolarHBondContact O-N 2.88Å; L166-V169 VanDerWaalsContact O-N 3.14Å; L166-R170 WeakPolarHBondContact O-CB 3.41Å; L166-R170 WeakPolarHBondContact O-CG 3.39Å; L166-R170 PolarHBondContact O-N 2.92Å
167D96.1Very high96.3Very high85 Ų8555.1 Ų55.146%0.45529%0.285SS..Hα-helixtrans-60.9-26.9179-63.8-30.2000113.6Q135 R165 R170 K171Q135-D167 PolarHBondContact NE2-OD1 2.97Å; R165-D167 PolarHBondContact O-N 3.06Å; D167-R170 IonicContact OD1-NH1 2.69Å; D167-R170 PolarHBondContact OD1-NH1 3.45Å; D167-K171 WeakPolarHBondContact O-CE 3.16Å; D167-K171 WeakPolarHBondContact O-CG 3.46Å
168S96.6Very high96.4Very high41 Ų4154 Ų5429%0.28728%0.279SS..Hα-helixtrans-82.2-47.5172.6-60.70000111.2R165 L166 R170 K171 Y174R165-S168 WeakPolarHBondContact O-CB 3.33Å; R165-S168 PolarHBondContact O-N 2.63Å; L166-S168 PolarHBondContact O-N 2.77Å; S168-R170 VanDerWaalsContact C-N 3.31Å; S168-R170 PolarHBondContact O-N 2.69Å; S168-K171 PolarHBondContact O-N 3.17Å; S168-Y174 WeakPolarHBondContact O-CD2 3.47Å
169V96.9Very high96.4Very high1 Ų156.3 Ų56.31%0.00629%0.289CS..Hα-helixtrans-68-29.3-173.1175.80000112.7I79 R80 V83 F131 F162 R165 L166 K171 Y174I79-V169 HydrophobicContact CG2-CG1 4Å; I79-V169 HydrophobicContact CG2-CG2 4.12Å; R80-V169 HydrophobicContact CG-CG1 3.81Å; R80-V169 PolarHBondContact NE-O 2.95Å; R80-V169 PolarHBondContact NH2-O 3.02Å; V83-V169 HydrophobicContact CG2-CG1 4.23Å; F131-V169 HydrophobicContact CE1-CG1 4.24Å; F162-V169 HydrophobicContact CD1-CG2 4.39Å; R165-V169 PolarHBondContact O-N 3Å; R165-V169 VanDerWaalsContact O-N 3.1Å; L166-V169 PolarHBondContact O-N 2.88Å; L166-V169 VanDerWaalsContact O-N 3.14Å; V169-K171 VanDerWaalsContact C-N 3.35Å; V169-Y174 HydrophobicContact CG2-CE2 4.4Å
170R96.6Very high96.4Very high75 Ų7556.3 Ų56.328%0.28329%0.289SS..THydrogen-bonded Turntrans-75.1-20.6-17977.3-175-144.1-169.720.8114.2E128 F131 Q135 L166 D167 S168E128-R170 IonicContact OE1-CZ 2.7Å; E128-R170 IonicContact OE1-NE 2.79Å; E128-R170 PolarHBondContact OE1-NE 3.3Å; E128-R170 VanDerWaalsContact OE1-NE 3.08Å; E128-R170 IonicContact OE1-NH1 3.44Å; E128-R170 IonicContact OE1-NH2 3.27Å; E128-R170 PolarHBondContact OE1-NH2 2.76Å; E128-R170 IonicContact OE2-NE 3.27Å; F131-R170 HydrophobicContact CB-CB 3.94Å; F131-R170 HydrophobicContact CD1-CB 3.76Å; F131-R170 HydrophobicContact CD2-CB 3.49Å; F131-R170 VanDerWaalsContact CD2-CB 3.49Å; F131-R170 HydrophobicContact CE1-CB 4.09Å; F131-R170 HydrophobicContact CE2-CB 3.85Å; F131-R170 HydrophobicContact CG-CB 3.45Å; F131-R170 VanDerWaalsContact CG-CB 3.45Å; F131-R170 HydrophobicContact CZ-CB 4.14Å; Q135-R170 VanDerWaalsContact OE1-NH1 3.12Å; L166-R170 WeakPolarHBondContact O-CB 3.41Å; L166-R170 WeakPolarHBondContact O-CG 3.39Å; L166-R170 PolarHBondContact O-N 2.92Å; D167-R170 IonicContact OD1-NH1 2.69Å; D167-R170 PolarHBondContact OD1-NH1 3.45Å; S168-R170 VanDerWaalsContact C-N 3.31Å; S168-R170 PolarHBondContact O-N 2.69Å
171K96.3Very high96.3Very high117 Ų11751.6 Ų51.651%0.50927%0.269SS..SBendtrans-61.9144.8-177.8-61.9-176.4177.9-178.20111.7R80 D167 S168 V169 D173 Y174R80-K171 PolarHBondContact NH2-O 2.83Å; D167-K171 WeakPolarHBondContact O-CE 3.16Å; D167-K171 WeakPolarHBondContact O-CG 3.46Å; S168-K171 PolarHBondContact O-N 3.17Å; V169-K171 VanDerWaalsContact C-N 3.35Å; K171-D173 VanDerWaalsContact C-N 3.31Å; K171-D173 WeakPolarHBondContact CB-OD1 3.34Å; K171-Y174 VanDerWaalsContact O-CB 3.26Å; K171-Y174 WeakPolarHBondContact O-CB 3.27Å; K171-Y174 PolarHBondContact O-N 2.84Å
172T92.5Very high96.2Very high146 Ų14649.8 Ų49.890%0.89626%0.262SS*.THydrogen-bonded Turntrans-69.4-30.217848.90000112.5
173D93.8Very high96.1Very high122 Ų12253 Ų5365%0.65227%0.274SS*.THydrogen-bonded Turntrans-95.314.2176.967.2-20.6000113.3K171 T175K171-D173 VanDerWaalsContact C-N 3.31Å; K171-D173 WeakPolarHBondContact CB-OD1 3.34Å; D173-T175 PolarHBondContact O-N 3.28Å; D173-T175 VanDerWaalsContact O-N 3.14Å
174Y95.6Very high96Very high14 Ų1453 Ų536%0.05527%0.274CS..  trans-56.6119.6179.8172.4-115.2000111.5I76 I79 S168 V169 K171 P176 D180I76-Y174 WeakPolarHBondContact CD1-O 3.38Å; I76-Y174 HydrophobicContact CG1-CD1 4.07Å; I76-Y174 HydrophobicContact CG1-CE1 4.41Å; I76-Y174 HydrophobicContact CG2-CD1 4.12Å; I79-Y174 HydrophobicContact CD1-CE1 4.23Å; I79-Y174 HydrophobicContact CG2-CE1 4.31Å; S168-Y174 WeakPolarHBondContact O-CD2 3.47Å; V169-Y174 HydrophobicContact CG2-CE2 4.4Å; K171-Y174 VanDerWaalsContact O-CB 3.26Å; K171-Y174 WeakPolarHBondContact O-CB 3.27Å; K171-Y174 PolarHBondContact O-N 2.84Å; Y174-P176 HydrophobicContact CD1-CG 4.44Å; Y174-P176 HydrophobicContact CE1-CB 4.44Å; Y174-P176 HydrophobicContact CE1-CG 3.8Å; Y174-D180 PolarHBondContact OH-OD2 2.76Å
175T94.6Very high95.8Very high97 Ų9751.8 Ų51.860%0.59526%0.263SS*.  trans-113118.3172.5-59.70000109.3D173 T177D173-T175 PolarHBondContact O-N 3.28Å; D173-T175 VanDerWaalsContact O-N 3.14Å; T175-T177 PolarHBondContact O-N 3.21Å
176P96.5Very high95.6Very high1 Ų151.2 Ų51.21%0.00627%0.267CS..  trans-60.7132-179.5-24.534.1000112.5I76 I79 Y174 D180 L181I76-P176 HydrophobicContact CG1-CG 3.7Å; I79-P176 HydrophobicContact CD1-CB 3.71Å; I79-P176 HydrophobicContact CD1-CG 3.72Å; Y174-P176 HydrophobicContact CD1-CG 4.44Å; Y174-P176 HydrophobicContact CE1-CB 4.44Å; Y174-P176 HydrophobicContact CE1-CG 3.8Å; P176-D180 HydrophobicContact CB-CB 4.07Å; P176-L181 HydrophobicContact CB-CD2 3.79Å; P176-L181 HydrophobicContact CB-CG 4.24Å
177T95.6Very high95.2Very high61 Ų6155.8 Ų55.837%0.37429%0.291SS..  trans-73.5161.1167.766.30000110.2T175 Q179 D180 L181T175-T177 PolarHBondContact O-N 3.21Å; T177-Q179 PolarHBondContact O-N 2.94Å; T177-Q179 VanDerWaalsContact O-N 3.13Å; T177-D180 WeakPolarHBondContact CB-OD2 3.49Å; T177-D180 PolarHBondContact N-OD2 2.81Å; T177-D180 WeakPolarHBondContact O-CA 3.26Å; T177-D180 WeakPolarHBondContact O-CB 3.18Å; T177-D180 PolarHBondContact O-N 3.14Å; T177-D180 PolarHBondContact OG1-N 3.1Å; T177-D180 PolarHBondContact OG1-OD2 3.08Å; T177-L181 WeakPolarHBondContact O-CG 3.42Å; T177-L181 PolarHBondContact O-N 2.89Å
178D94.6Very high94.8Very high62 Ų6253 Ų5333%0.33228%0.277SS..Hα-helixtrans-59.8-29.2176.5-62.6-9.6000111.5I61 K72 L181 L182I61-D178 HydrophobicContact CD1-CB 4.04Å; K72-D178 IonicContact NZ-OD1 3.92Å; K72-D178 PolarHBondContact NZ-OD1 2.88Å; D178-L181 WeakPolarHBondContact O-CB 3.42Å; D178-L181 PolarHBondContact O-N 2.69Å; D178-L182 VanDerWaalsContact O-CG 3.3Å; D178-L182 WeakPolarHBondContact O-CG 3.42Å; D178-L182 PolarHBondContact O-N 3.48Å
179Q96Very high94.4Very high55 Ų5554.6 Ų54.626%0.25729%0.289SS..Hα-helixtrans-67.3-36.3173.3-162.464.427.600113.1Y161 T177 L181 R183 I351Y161-Q179 HydrophobicContact CE2-CG 4.49Å; Y161-Q179 WeakPolarHBondContact OH-CG 3.14Å; T177-Q179 PolarHBondContact O-N 2.94Å; T177-Q179 VanDerWaalsContact O-N 3.13Å; Q179-L181 VanDerWaalsContact C-N 3.34Å; Q179-R183 PolarHBondContact O-N 3.41Å; Q179-R183 VanDerWaalsContact O-N 3.17Å; Q179-I351 PolarHBondContact NE2-O 2.99Å; Q179-I351 PolarHBondContact OE1-O 3.23Å
180D97.2Very high94.1Very high1 Ų155.4 Ų55.41%0.00530%0.297CS..Hα-helixtrans-66-41.3172.6-56.7-38.3000110.3I79 Y161 F162 R165 Y174 P176 T177 R183 C184I79-D180 HydrophobicContact CD1-CB 3.97Å; Y161-D180 WeakPolarHBondContact CE1-OD1 3.5Å; Y161-D180 VanDerWaalsContact CZ-OD1 3.26Å; Y161-D180 PolarHBondContact OH-OD1 3.33Å; F162-D180 HydrophobicContact CE1-CB 4.14Å; R165-D180 IonicContact CZ-OD1 2.98Å; R165-D180 IonicContact NH1-OD1 2.79Å; R165-D180 PolarHBondContact NH1-OD1 3.06Å; R165-D180 IonicContact NH1-OD2 3.79Å; R165-D180 IonicContact NH2-OD2 2.75Å; Y174-D180 PolarHBondContact OH-OD2 2.76Å; P176-D180 HydrophobicContact CB-CB 4.07Å; T177-D180 WeakPolarHBondContact CB-OD2 3.49Å; T177-D180 PolarHBondContact N-OD2 2.81Å; T177-D180 WeakPolarHBondContact O-CA 3.26Å; T177-D180 WeakPolarHBondContact O-CB 3.18Å; T177-D180 PolarHBondContact O-N 3.14Å; T177-D180 PolarHBondContact OG1-N 3.1Å; T177-D180 PolarHBondContact OG1-OD2 3.08Å; D180-R183 PolarHBondContact O-N 3.2Å; D180-C184 VanDerWaalsContact O-CB 3.23Å; D180-C184 WeakPolarHBondContact O-CB 3.4Å; D180-C184 PolarHBondContact O-N 2.85Å
181L96.2Very high93.8Very high2 Ų254.4 Ų54.41%0.0130%0.296CS..Hα-helixtrans-64.6-41177.5-59.4178.9000112K57 F67 K72 K75 P176 T177 D178 Q179K57-L181 WeakPolarHBondContact CD-O 3.49Å; K57-L181 WeakPolarHBondContact CE-O 3.5Å; K57-L181 PolarHBondContact NZ-O 2.82Å; F67-L181 HydrophobicContact CB-CD1 3.72Å; F67-L181 HydrophobicContact CD1-CD1 4.32Å; F67-L181 HydrophobicContact CD2-CB 4.45Å; F67-L181 HydrophobicContact CD2-CD1 3.36Å; F67-L181 HydrophobicContact CE2-CB 4.3Å; F67-L181 HydrophobicContact CE2-CD1 4.03Å; F67-L181 HydrophobicContact CG-CD1 3.54Å; K72-L181 HydrophobicContact CG-CD1 4.05Å; K75-L181 HydrophobicContact CB-CD2 3.52Å; K75-L181 HydrophobicContact CD-CD2 4.34Å; K75-L181 HydrophobicContact CG-CD2 3.68Å; P176-L181 HydrophobicContact CB-CD2 3.79Å; P176-L181 HydrophobicContact CB-CG 4.24Å; T177-L181 WeakPolarHBondContact O-CG 3.42Å; T177-L181 PolarHBondContact O-N 2.89Å; D178-L181 WeakPolarHBondContact O-CB 3.42Å; D178-L181 PolarHBondContact O-N 2.69Å; Q179-L181 VanDerWaalsContact C-N 3.34Å
182L96.3Very high93.6Very high2 Ų254 Ų541%0.0130%0.295CS..Hα-helixtrans-62.6-41.9176.6-75.4169.1000112.2T54 K57 Q58 I61 D178T54-L182 HydrophobicContact CG2-CB 4.35Å; T54-L182 HydrophobicContact CG2-CD2 3.88Å; K57-L182 HydrophobicContact CB-CD2 3.82Å; Q58-L182 HydrophobicContact CG-CD2 3.73Å; I61-L182 HydrophobicContact CD1-CD1 3.97Å; I61-L182 HydrophobicContact CD1-CD2 3.89Å; I61-L182 HydrophobicContact CD1-CG 3.83Å; D178-L182 VanDerWaalsContact O-CG 3.3Å; D178-L182 WeakPolarHBondContact O-CG 3.42Å; D178-L182 PolarHBondContact O-N 3.48Å
183R96.7Very high93.6Very high71 Ų7152 Ų5227%0.26828%0.276SS..Hα-helixtrans-82.6-22.4-179.7-71.5-171.3171.5104.7-2.8114.2C158 Y161 F162 Q179 D180 R185 I351C158-R183 HydrophobicContact CB-CB 4.11Å; C158-R183 WeakPolarHBondContact CB-O 3.13Å; C158-R183 PolarHBondContact SG-O 2.77Å; C158-R183 VanDerWaalsContact SG-O 3.41Å; Y161-R183 HydrophobicContact CD1-CB 4.12Å; Y161-R183 HydrophobicContact CD1-CG 4.38Å; Y161-R183 HydrophobicContact CE1-CB 4.25Å; Y161-R183 HydrophobicContact CE1-CG 4.49Å; F162-R183 HydrophobicContact CE2-CB 4.43Å; F162-R183 HydrophobicContact CZ-CB 4.25Å; Q179-R183 PolarHBondContact O-N 3.41Å; Q179-R183 VanDerWaalsContact O-N 3.17Å; D180-R183 PolarHBondContact O-N 3.2Å; R183-R185 PolarHBondContact O-N 3.42Å; R183-I351 HydrophobicContact CG-CG2 4.08Å
184C96.6Very high93.6Very high4 Ų447.3 Ų47.33%0.02725%0.251CS..  trans-56.5121.9177.5175.40000111K57 D78 I79 F162 D180K57-C184 PolarHBondContact NZ-O 3.02Å; D78-C184 VanDerWaalsContact CB-SG 3.55Å; I79-C184 HydrophobicContact CG1-CB 3.9Å; F162-C184 HydrophobicContact CZ-CB 4.38Å; D180-C184 VanDerWaalsContact O-CB 3.23Å; D180-C184 WeakPolarHBondContact O-CB 3.4Å; D180-C184 PolarHBondContact O-N 2.85Å
185R93.8Very high93.5Very high56 Ų5654.7 Ų54.721%0.21128%0.279CS..  trans-93.6115-178.5179.258.3174.5139.6-5109.8E49 N82 I156 R183E49-R185 IonicContact OE1-CZ 2.69Å; E49-R185 IonicContact OE1-NE 3.66Å; E49-R185 PolarHBondContact OE1-NE 3.32Å; E49-R185 IonicContact OE1-NH2 3.13Å; N82-R185 PolarHBondContact ND2-O 3.29Å; N82-R185 PolarHBondContact OD1-N 3.16Å; N82-R185 PolarHBondContact OD1-O 2.79Å; I156-R185 HydrophobicContact CG2-CG 4.26Å; R183-R185 PolarHBondContact O-N 3.42Å
186V91.8Very high93.5Very high58 Ų5850.6 Ų50.635%0.35225%0.253SS..  trans-121.2136.6167-177.90000108D78 T188D78-V186 HydrophobicContact CB-CG2 4.15Å; D78-V186 WeakPolarHBondContact OD2-CG2 3.38Å; V186-T188 PolarHBondContact O-N 3.36Å
187L89.4Confident93.3Very high101 Ų10155.7 Ų55.753%0.52928%0.277SS..  trans-73115.8175.1-72174.5000109.3S189L187-S189 PolarHBondContact O-N 3.26Å
188T87Confident93Very high25 Ų2553.3 Ų53.315%0.15326%0.262CS..  trans-77112.8175.3-45.10000109.4S53 V186 F192 G209S53-T188 PolarHBondContact OG-OG1 3.42Å; V186-T188 PolarHBondContact O-N 3.36Å; T188-F192 HydrophobicContact CG2-CD2 3.43Å; T188-F192 VanDerWaalsContact CG2-CD2 3.43Å; T188-F192 HydrophobicContact CG2-CE2 3.47Å; T188-F192 VanDerWaalsContact CG2-CE2 3.47Å; T188-G209 WeakPolarHBondContact O-CA 3.39Å
189S89.2Confident92.6Very high76 Ų7656 Ų5653%0.53128%0.277SS..  trans-115.4123.7171.1-179.60000109.1L187 F192 E214L187-S189 PolarHBondContact O-N 3.26Å; S189-F192 VanDerWaalsContact O-CE2 3.3Å; S189-F192 WeakPolarHBondContact O-CE2 3.39Å; S189-E214 WeakPolarHBondContact CA-OE2 3.37Å
190G89.6Confident92.2Very high17 Ų1762.3 Ų62.318%0.17530%0.303CS..SBendtrans92.8-154.2-174.500000114.3G209 E214G190-G209 PolarHBondContact O-N 3.47Å; G190-E214 PolarHBondContact N-OE2 3.01Å
191I91.3Very high91.9Very high54 Ų5463.8 Ų63.828%0.27731%0.312SS..EExtended strand (participates in β ladder)trans-121.3127.9-174-58.4160.1000107.6F206 D207 V208 Q220 C221I191-F206 HydrophobicContact CG2-CD1 4.34Å; I191-D207 WeakPolarHBondContact CA-O 3.49Å; I191-V208 HydrophobicContact CB-CG1 4.38Å; I191-V208 HydrophobicContact CG1-CG1 3.89Å; I191-V208 HydrophobicContact CG2-CG1 4.19Å; I191-Q220 HydrophobicContact CD1-CB 4Å; I191-C221 VanDerWaalsContact CD1-SG 3.53Å
192F91.9Very high91.8Very high108 Ų10866.1 Ų66.147%0.47433%0.325SS..EExtended strand (participates in β ladder)trans-119.1130.2177.4-64.2-93.5000109.7T188 S189 F206 D207T188-F192 HydrophobicContact CG2-CD2 3.43Å; T188-F192 VanDerWaalsContact CG2-CD2 3.43Å; T188-F192 HydrophobicContact CG2-CE2 3.47Å; T188-F192 VanDerWaalsContact CG2-CE2 3.47Å; S189-F192 VanDerWaalsContact O-CE2 3.3Å; S189-F192 WeakPolarHBondContact O-CE2 3.39Å; F192-F206 WeakPolarHBondContact O-CA 3.5Å; F192-D207 HydrophobicContact CB-CB 4.37Å; F192-D207 PolarHBondContact N-O 3.17Å; F192-D207 PolarHBondContact O-N 2.91Å
193E92.8Very high91.8Very high105 Ų10566.4 Ų66.449%0.49133%0.326SS..EExtended strand (participates in β ladder)trans-100.7140.8-179.9-72.9-180-153.100110.5R195 H204 M205 F206E193-R195 IonicContact OE2-NH2 3.66Å; E193-R195 PolarHBondContact OE2-NH2 3.1Å; E193-H204 WeakPolarHBondContact CB-NE2 3.4Å; E193-H204 WeakPolarHBondContact CG-NE2 3.44Å; E193-H204 IonicContact OE2-CE1 3.09Å; E193-H204 PolarHBondContact OE2-CE1 3.43Å; E193-H204 IonicContact OE2-NE2 3.95Å; E193-H204 PolarHBondContact OE2-NE2 2.91Å; E193-M205 CarbonylContact C-O 3.57Å; E193-M205 WeakPolarHBondContact CA-O 3.29Å; E193-F206 HydrophobicContact CG-CD1 3.64Å; E193-F206 HydrophobicContact CG-CE1 3.69Å
194T93.2Very high91.7Very high23 Ų2363.8 Ų63.814%0.14132%0.317CS..EExtended strand (participates in β ladder)trans-136.2129.4169.7-64.50000109.3V56 R60 F196 M205V56-T194 HydrophobicContact CG1-CG2 4.36Å; V56-T194 VanDerWaalsContact CG1-OG1 3.29Å; V56-T194 WeakPolarHBondContact CG1-OG1 3.04Å; R60-T194 HydrophobicContact CG-CG2 3.96Å; T194-F196 HydrophobicContact CG2-CD1 4.4Å; T194-M205 PolarHBondContact N-O 3.09Å; T194-M205 PolarHBondContact O-N 2.81Å
195R94.4Very high91.6Very high169 Ų16963.7 Ų63.764%0.63832%0.316SS*.EExtended strand (participates in β ladder)trans-115.7135.6179.7-63.5179.1-170.4-177.67.7109.1E193 F203 H204E193-R195 IonicContact OE2-NH2 3.66Å; E193-R195 PolarHBondContact OE2-NH2 3.1Å; R195-F203 WeakPolarHBondContact CA-O 3.21Å; R195-H204 HydrophobicContact CG-CB 4.36Å; R195-H204 VanDerWaalsContact CG-CD2 3.46Å; R195-H204 WeakPolarHBondContact CG-CD2 3.29Å; R195-H204 PolarHBondContact NE-NE2 3.37Å
196F93.9Very high91.7Very high12 Ų1262.1 Ų62.15%0.05331%0.31CS..EExtended strand (participates in β ladder)trans-153.2163.9-179.961.4-81.6000110.1M59 H63 V64 T194 V198 F203 M205 F360M59-F196 HydrophobicContact CB-CD1 4.25Å; M59-F196 HydrophobicContact CB-CE1 4.03Å; M59-F196 HydrophobicContact CB-CZ 4.24Å; M59-F196 HydrophobicContact CG-CE1 4.06Å; M59-F196 HydrophobicContact CG-CZ 3.95Å; M59-F196 HydrophobicContact SD-CE1 4.44Å; M59-F196 HydrophobicContact SD-CE2 3.99Å; M59-F196 HydrophobicContact SD-CZ 3.73Å; H63-F196 HydrophobicContact CB-CB 3.87Å; H63-F196 HydrophobicContact CB-CD2 3.85Å; H63-F196 HydrophobicContact CB-CG 4.19Å; H63-F196 AromaticContact CD2-CD2 3.73Å; H63-F196 AromaticContact CD2-CE2 3.9Å; H63-F196 AromaticContact CG-CD2 3.96Å; V64-F196 HydrophobicContact CG2-CB 3.53Å; T194-F196 HydrophobicContact CG2-CD1 4.4Å; F196-V198 HydrophobicContact CD2-CG2 3.68Å; F196-V198 HydrophobicContact CE2-CG2 3.8Å; F196-F203 HydrophobicContact CD1-CB 4.01Å; F196-F203 HydrophobicContact CD2-CB 4Å; F196-F203 HydrophobicContact CD2-CD2 4.28Å; F196-F203 HydrophobicContact CD2-CG 4.42Å; F196-F203 HydrophobicContact CE1-CB 3.58Å; F196-F203 HydrophobicContact CE2-CB 3.59Å; F196-F203 AromaticContact CE2-CD2 3.85Å; F196-F203 HydrophobicContact CE2-CD2 3.85Å; F196-F203 AromaticContact CE2-CG 3.77Å; F196-F203 HydrophobicContact CE2-CG 3.77Å; F196-F203 HydrophobicContact CG-CB 4.2Å; F196-F203 HydrophobicContact CZ-CB 3.36Å; F196-F203 HydrophobicContact CZ-CD1 4.41Å; F196-F203 HydrophobicContact CZ-CD2 4.38Å; F196-F203 AromaticContact CZ-CG 3.82Å; F196-F203 HydrophobicContact CZ-CG 3.82Å; F196-F203 PolarHBondContact N-O 3.28Å; F196-F203 VanDerWaalsContact N-O 3.12Å; F196-F203 PolarHBondContact O-N 2.85Å; F196-M205 HydrophobicContact CE1-CB 4.2Å; F196-M205 HydrophobicContact CE1-CE 3.8Å; F196-M205 HydrophobicContact CZ-CE 3.85Å; F196-F360 HydrophobicContact CE2-CE1 4.02Å; F196-F360 AromaticContact CE2-CZ 3.79Å; F196-F360 HydrophobicContact CE2-CZ 3.79Å; F196-F360 HydrophobicContact CZ-CE1 4.47Å; F196-F360 HydrophobicContact CZ-CE2 4.35Å; F196-F360 AromaticContact CZ-CZ 3.8Å; F196-F360 HydrophobicContact CZ-CZ 3.8Å
197Q92Very high91.8Very high108 Ų10859.7 Ų59.751%0.50530%0.296SS..EExtended strand (participates in β ladder)trans-125.3134.2180-175.517680.600109.9V201 N202Q197-V201 WeakPolarHBondContact CA-O 3.48Å; Q197-N202 PolarHBondContact NE2-OD1 3.38Å
198V89.3Confident92.1Very high11 Ų1155 Ų557%0.06727%0.271CS..EExtended strand (participates in β ladder)trans-130.7121.8175.6-168.40000108.4F196 K200 V201 F203 F360F196-V198 HydrophobicContact CD2-CG2 3.68Å; F196-V198 HydrophobicContact CE2-CG2 3.8Å; V198-K200 VanDerWaalsContact C-N 3.26Å; V198-K200 PolarHBondContact O-N 3.3Å; V198-V201 PolarHBondContact N-O 3.35Å; V198-V201 WeakPolarHBondContact O-CB 3.33Å; V198-V201 PolarHBondContact O-N 3.02Å; V198-F203 HydrophobicContact CB-CD2 4.43Å; V198-F203 HydrophobicContact CB-CE2 4.07Å; V198-F203 HydrophobicContact CG2-CD2 4.17Å; V198-F203 HydrophobicContact CG2-CE2 4.19Å; V198-F360 HydrophobicContact CG2-CE1 4.33Å
199D87Confident92.4Very high119 Ų11953.9 Ų53.964%0.63626%0.264SS*.THydrogen-bonded Turntrans42.849.8-173.8-51.5-36.2000113.7V201 R364D199-V201 PolarHBondContact O-N 3.4Å; D199-V201 VanDerWaalsContact O-N 3.15Å; D199-R364 IonicContact OD2-CZ 2.75Å; D199-R364 IonicContact OD2-NH1 2.97Å; D199-R364 PolarHBondContact OD2-NH1 3.49Å; D199-R364 IonicContact OD2-NH2 3.08Å; D199-R364 PolarHBondContact OD2-NH2 3.18Å
200K87.6Confident92.4Very high186 Ų18650.6 Ų50.681%0.80924%0.243SC*.THydrogen-bonded Turntrans682.9-179.6-49.4173.1-178.4174.40115.2V198V198-K200 VanDerWaalsContact C-N 3.26Å; V198-K200 PolarHBondContact O-N 3.3Å
201V90.7Very high92.4Very high32 Ų3252.4 Ų52.419%0.19425%0.247CC..EExtended strand (participates in β ladder)trans-91.4125.7172-177.50000109.3H40 Q197 V198 D199 F203H40-V201 WeakPolarHBondContact CE1-CG1 3.43Å; H40-V201 WeakPolarHBondContact ND1-CG1 3.23Å; Q197-V201 WeakPolarHBondContact CA-O 3.48Å; V198-V201 PolarHBondContact N-O 3.35Å; V198-V201 WeakPolarHBondContact O-CB 3.33Å; V198-V201 PolarHBondContact O-N 3.02Å; D199-V201 PolarHBondContact O-N 3.4Å; D199-V201 VanDerWaalsContact O-N 3.15Å; V201-F203 HydrophobicContact CB-CE2 3.97Å; V201-F203 HydrophobicContact CG1-CD2 4.39Å; V201-F203 HydrophobicContact CG1-CE2 3.75Å; V201-F203 HydrophobicContact CG1-CZ 3.98Å; V201-F203 WeakPolarHBondContact O-CD2 3.4Å
202N94Very high92.5Very high52 Ų5254.4 Ų54.428%0.27825%0.251SS..EExtended strand (participates in β ladder)trans-85.3133.7179.3-61.8-39.5000110.4T39 H40 Q197T39-N202 WeakPolarHBondContact CA-O 3.48Å; T39-N202 HydrophobicContact CG2-CB 4.32Å; H40-N202 PolarHBondContact N-O 3.17Å; Q197-N202 PolarHBondContact NE2-OD1 3.38Å
203F95.2Very high92.4Very high7 Ų755.4 Ų55.43%0.03126%0.261CS..EExtended strand (participates in β ladder)trans-117.5142.7174.3-69.3-91.1000110.1H40 L42 R195 F196 V198 V201 F360 I367H40-F203 HydrophobicContact CB-CD1 3.77Å; H40-F203 HydrophobicContact CB-CE1 3.89Å; H40-F203 CarbonylContact O-C 3.58Å; H40-F203 WeakPolarHBondContact O-CA 3.34Å; L42-F203 HydrophobicContact CD1-CD1 3.75Å; L42-F203 HydrophobicContact CD1-CE1 4.31Å; L42-F203 HydrophobicContact CG-CD1 4.37Å; R195-F203 WeakPolarHBondContact CA-O 3.21Å; F196-F203 HydrophobicContact CD1-CB 4.01Å; F196-F203 HydrophobicContact CD2-CB 4Å; F196-F203 HydrophobicContact CD2-CD2 4.28Å; F196-F203 HydrophobicContact CD2-CG 4.42Å; F196-F203 HydrophobicContact CE1-CB 3.58Å; F196-F203 HydrophobicContact CE2-CB 3.59Å; F196-F203 AromaticContact CE2-CD2 3.85Å; F196-F203 HydrophobicContact CE2-CD2 3.85Å; F196-F203 AromaticContact CE2-CG 3.77Å; F196-F203 HydrophobicContact CE2-CG 3.77Å; F196-F203 HydrophobicContact CG-CB 4.2Å; F196-F203 HydrophobicContact CZ-CB 3.36Å; F196-F203 HydrophobicContact CZ-CD1 4.41Å; F196-F203 HydrophobicContact CZ-CD2 4.38Å; F196-F203 AromaticContact CZ-CG 3.82Å; F196-F203 HydrophobicContact CZ-CG 3.82Å; F196-F203 PolarHBondContact N-O 3.28Å; F196-F203 VanDerWaalsContact N-O 3.12Å; F196-F203 PolarHBondContact O-N 2.85Å; V198-F203 HydrophobicContact CB-CD2 4.43Å; V198-F203 HydrophobicContact CB-CE2 4.07Å; V198-F203 HydrophobicContact CG2-CD2 4.17Å; V198-F203 HydrophobicContact CG2-CE2 4.19Å; V201-F203 HydrophobicContact CB-CE2 3.97Å; V201-F203 HydrophobicContact CG1-CD2 4.39Å; V201-F203 HydrophobicContact CG1-CE2 3.75Å; V201-F203 HydrophobicContact CG1-CZ 3.98Å; V201-F203 WeakPolarHBondContact O-CD2 3.4Å; F203-F360 HydrophobicContact CD1-CZ 4.05Å; F203-F360 AromaticContact CE1-CZ 3.95Å; F203-F360 HydrophobicContact CE1-CZ 3.95Å; F203-F360 HydrophobicContact CG-CZ 4.39Å; F203-F360 HydrophobicContact CZ-CE1 4.42Å; F203-F360 HydrophobicContact CZ-CZ 4.22Å; F203-I367 HydrophobicContact CE1-CG2 4.03Å
204H95.3Very high92.4Very high17 Ų1751.6 Ų51.68%0.07924%0.243CC..EExtended strand (participates in β ladder)trans-132.5110.2174.6-174.7-166.9000109.4T39 H40 R41 L42 E193 R195 F206T39-H204 HydrophobicContact CG2-CB 3.54Å; H40-H204 PolarHBondContact O-N 2.83Å; R41-H204 CarbonylContact C-O 3.57Å; R41-H204 VanDerWaalsContact CA-O 3.32Å; R41-H204 WeakPolarHBondContact CA-O 3.42Å; R41-H204 HydrophobicContact CG-CB 4.04Å; L42-H204 PolarHBondContact N-O 2.61Å; E193-H204 WeakPolarHBondContact CB-NE2 3.4Å; E193-H204 WeakPolarHBondContact CG-NE2 3.44Å; E193-H204 IonicContact OE2-CE1 3.09Å; E193-H204 PolarHBondContact OE2-CE1 3.43Å; E193-H204 IonicContact OE2-NE2 3.95Å; E193-H204 PolarHBondContact OE2-NE2 2.91Å; R195-H204 HydrophobicContact CG-CB 4.36Å; R195-H204 VanDerWaalsContact CG-CD2 3.46Å; R195-H204 WeakPolarHBondContact CG-CD2 3.29Å; R195-H204 PolarHBondContact NE-NE2 3.37Å; H204-F206 AromaticContact CE1-CE1 3.54Å; H204-F206 AromaticContact CE1-CZ 3.29Å; H204-F206 WeakPolarHBondContact CE1-CZ 3.47Å; H204-F206 AromaticContact CG-CZ 3.95Å; H204-F206 AromaticContact ND1-CE2 3.97Å; H204-F206 AromaticContact ND1-CZ 3.41Å; H204-F206 WeakPolarHBondContact ND1-CZ 3.43Å; H204-F206 AromaticContact NE2-CE1 3.8Å; H204-F206 AromaticContact NE2-CZ 3.82Å
205M95.3Very high92.4Very high1 Ų152.9 Ų52.91%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-107134.6-172.1-169.9174.8-64.300110.9L42 L44 V56 M59 E193 T194 F196L42-M205 HydrophobicContact CD1-CE 4.14Å; L42-M205 CarbonylContact O-C 3.59Å; L42-M205 WeakPolarHBondContact O-CA 3.46Å; L44-M205 HydrophobicContact CD1-CE 4.36Å; L44-M205 HydrophobicContact CD1-CG 3.27Å; L44-M205 HydrophobicContact CD1-SD 3.56Å; L44-M205 VanDerWaalsContact CD1-SD 3.56Å; L44-M205 HydrophobicContact CD2-SD 4.02Å; L44-M205 HydrophobicContact CG-CG 4.5Å; L44-M205 HydrophobicContact CG-SD 4.45Å; V56-M205 HydrophobicContact CB-SD 4.41Å; V56-M205 HydrophobicContact CG2-CG 4.27Å; V56-M205 HydrophobicContact CG2-SD 3.66Å; M59-M205 HydrophobicContact CG-CE 3.45Å; M59-M205 VanDerWaalsContact CG-CE 3.45Å; M59-M205 HydrophobicContact CG-SD 3.97Å; M59-M205 HydrophobicContact SD-CE 4.1Å; E193-M205 CarbonylContact C-O 3.57Å; E193-M205 WeakPolarHBondContact CA-O 3.29Å; T194-M205 PolarHBondContact N-O 3.09Å; T194-M205 PolarHBondContact O-N 2.81Å; F196-M205 HydrophobicContact CE1-CB 4.2Å; F196-M205 HydrophobicContact CE1-CE 3.8Å; F196-M205 HydrophobicContact CZ-CE 3.85Å
206F94.9Very high92.1Very high23 Ų2355.1 Ų55.110%0.10125%0.254CS..EExtended strand (participates in β ladder)trans-113.2114.8178-55.8-91.3000109.7R41 L42 L43 L44 I191 F192 E193 H204R41-F206 HydrophobicContact CB-CE2 4.13Å; R41-F206 HydrophobicContact CG-CE2 4.11Å; L42-F206 PolarHBondContact O-N 3.21Å; L43-F206 HydrophobicContact CD1-CB 3.82Å; L44-F206 PolarHBondContact N-O 3.46Å; I191-F206 HydrophobicContact CG2-CD1 4.34Å; F192-F206 WeakPolarHBondContact O-CA 3.5Å; E193-F206 HydrophobicContact CG-CD1 3.64Å; E193-F206 HydrophobicContact CG-CE1 3.69Å; H204-F206 AromaticContact CE1-CE1 3.54Å; H204-F206 AromaticContact CE1-CZ 3.29Å; H204-F206 WeakPolarHBondContact CE1-CZ 3.47Å; H204-F206 AromaticContact CG-CZ 3.95Å; H204-F206 AromaticContact ND1-CE2 3.97Å; H204-F206 AromaticContact ND1-CZ 3.41Å; H204-F206 WeakPolarHBondContact ND1-CZ 3.43Å; H204-F206 AromaticContact NE2-CE1 3.8Å; H204-F206 AromaticContact NE2-CZ 3.82Å
207D94.7Very high92Very high8 Ų857.6 Ų57.64%0.04327%0.265CS..EExtended strand (participates in β ladder)trans-95.3125.5169.7-173.827.2000109.7K52 S53 V56 I191 F192K52-D207 VanDerWaalsContact CB-OD1 3.3Å; K52-D207 WeakPolarHBondContact CB-OD1 3.19Å; S53-D207 VanDerWaalsContact CA-OD2 3.3Å; S53-D207 WeakPolarHBondContact CA-OD2 3.22Å; S53-D207 VanDerWaalsContact CB-OD2 3.23Å; S53-D207 WeakPolarHBondContact CB-OD2 3.46Å; S53-D207 PolarHBondContact OG-OD2 3.14Å; V56-D207 HydrophobicContact CG2-CB 3.71Å; I191-D207 WeakPolarHBondContact CA-O 3.49Å; F192-D207 HydrophobicContact CB-CB 4.37Å; F192-D207 PolarHBondContact N-O 3.17Å; F192-D207 PolarHBondContact O-N 2.91Å
208V94.2Very high92Very high1 Ų152.8 Ų52.81%0.00624%0.242CC..EExtended strand (participates in β ladder)trans-123.4148.1-178.7-60.90000110.9L43 L44 L45 K52 I191 G210 W218L43-V208 HydrophobicContact CD1-CG1 4.19Å; L44-V208 VanDerWaalsContact O-CG2 3.3Å; L44-V208 WeakPolarHBondContact O-CG2 3.34Å; L45-V208 HydrophobicContact CD2-CG2 3.76Å; K52-V208 WeakPolarHBondContact CE-O 3.39Å; I191-V208 HydrophobicContact CB-CG1 4.38Å; I191-V208 HydrophobicContact CG1-CG1 3.89Å; I191-V208 HydrophobicContact CG2-CG1 4.19Å; V208-G210 PolarHBondContact O-N 3.05Å; V208-W218 VanDerWaalsContact CG2-CD1 3.43Å; V208-W218 HydrophobicContact CG2-CD2 4.33Å; V208-W218 HydrophobicContact CG2-CG 4.05Å; V208-W218 VanDerWaalsContact CG2-NE1 3.31Å
209G93.2Very high91.8Very high2 Ų256 Ų562%0.02126%0.258CS..  trans-53.9130.3175.400000112.2T188 G190 E214 W218T188-G209 WeakPolarHBondContact O-CA 3.39Å; G190-G209 PolarHBondContact O-N 3.47Å; G209-E214 WeakPolarHBondContact O-CB 3.32Å; G209-W218 PolarHBondContact O-NE1 2.69Å
210G90.3Very high91.8Very high7 Ų756.9 Ų56.97%0.07226%0.258CS..  trans-90.5-15.9-175.400000115.7G46 G48 V208 R215G46-G210 WeakPolarHBondContact O-CA 3.07Å; G48-G210 PolarHBondContact N-O 3.41Å; V208-G210 PolarHBondContact O-N 3.05Å; G210-R215 PolarHBondContact O-NE 2.96Å; G210-R215 VanDerWaalsContact O-NE 3.12Å; G210-R215 PolarHBondContact O-NH2 3.25Å
211Q90.1Very high91.8Very high56 Ų5648.5 Ų48.526%0.26222%0.223SC..SBendtrans-68.1153-179.6-71.1174.9-19.600110.6D213 E214 R215 E243Q211-D213 VanDerWaalsContact C-N 3.25Å; Q211-D213 PolarHBondContact O-N 3.46Å; Q211-D213 VanDerWaalsContact O-N 3.16Å; Q211-E214 HydrophobicContact CB-CG 4.49Å; Q211-E214 WeakPolarHBondContact O-CB 3.39Å; Q211-E214 PolarHBondContact O-N 3.29Å; Q211-R215 VanDerWaalsContact O-CG 3.29Å; Q211-R215 WeakPolarHBondContact O-CG 3.25Å; Q211-R215 PolarHBondContact O-N 2.82Å; Q211-E243 WeakPolarHBondContact CA-OE1 3.37Å
212R92.8Very high91.6Very high95 Ų9547.8 Ų47.836%0.35822%0.217SC..G310 helixtrans-50.8-42.5-174.5-74.1-177.4172164.70.4113.5E214 R215 E243 D244 T247R212-E214 VanDerWaalsContact C-N 3.29Å; R212-E214 PolarHBondContact O-N 3.13Å; R212-R215 WeakPolarHBondContact O-CG 3.3Å; R212-R215 PolarHBondContact O-N 2.99Å; R212-E243 HydrophobicContact CB-CG 4.39Å; R212-E243 HydrophobicContact CG-CG 4.41Å; R212-E243 PolarHBondContact N-OE1 3.12Å; R212-E243 VanDerWaalsContact N-OE1 3.08Å; R212-D244 IonicContact CZ-OD2 3.04Å; R212-D244 IonicContact NH1-OD2 3.64Å; R212-D244 PolarHBondContact NH1-OD2 3.12Å; R212-D244 IonicContact NH2-OD2 2.68Å; R212-D244 PolarHBondContact NH2-OD2 2.85Å; R212-T247 PolarHBondContact NH2-OG1 3.27Å
213D90.6Very high91Very high130 Ų13051.3 Ų51.370%0.69524%0.236SC*.G310 helixtrans-71.3-23.5-177.5-64.4-28.2000113.7Q211Q211-D213 VanDerWaalsContact C-N 3.25Å; Q211-D213 PolarHBondContact O-N 3.46Å; Q211-D213 VanDerWaalsContact O-N 3.16Å
214E92.2Very high90.3Very high24 Ų2455.1 Ų55.111%0.11226%0.257CS..G310 helixtrans-81-19.1178.9-66.9-63.2114.900112.6S189 G190 G209 Q211 R212 R216 K217S189-E214 WeakPolarHBondContact CA-OE2 3.37Å; G190-E214 PolarHBondContact N-OE2 3.01Å; G209-E214 WeakPolarHBondContact O-CB 3.32Å; Q211-E214 HydrophobicContact CB-CG 4.49Å; Q211-E214 WeakPolarHBondContact O-CB 3.39Å; Q211-E214 PolarHBondContact O-N 3.29Å; R212-E214 VanDerWaalsContact C-N 3.29Å; R212-E214 PolarHBondContact O-N 3.13Å; E214-R216 VanDerWaalsContact C-N 3.26Å; E214-R216 PolarHBondContact O-N 2.84Å; E214-K217 WeakPolarHBondContact O-CB 3.3Å; E214-K217 PolarHBondContact O-N 3.42Å; E214-K217 VanDerWaalsContact O-N 3.07Å; E214-K217 IonicContact OE1-NZ 3.77Å; E214-K217 PolarHBondContact OE1-NZ 3.22Å; E214-K217 IonicContact OE2-NZ 2.62Å; E214-K217 PolarHBondContact OE2-NZ 3.11Å
215R92.6Very high90.1Very high51 Ų5154.3 Ų54.319%0.19225%0.253CS..G310 helixtrans-66.5-25.2-170.6-52.4-171.7-176167.4-0.4114.3G210 Q211 R212 K217 W218 E252G210-R215 PolarHBondContact O-NE 2.96Å; G210-R215 VanDerWaalsContact O-NE 3.12Å; G210-R215 PolarHBondContact O-NH2 3.25Å; Q211-R215 VanDerWaalsContact O-CG 3.29Å; Q211-R215 WeakPolarHBondContact O-CG 3.25Å; Q211-R215 PolarHBondContact O-N 2.82Å; R212-R215 WeakPolarHBondContact O-CG 3.3Å; R212-R215 PolarHBondContact O-N 2.99Å; R215-K217 PolarHBondContact O-N 2.94Å; R215-W218 HydrophobicContact CB-CD2 4.05Å; R215-W218 HydrophobicContact CB-CE3 4.3Å; R215-W218 HydrophobicContact CB-CH2 4.39Å; R215-W218 HydrophobicContact CB-CZ2 4.14Å; R215-W218 HydrophobicContact CB-CZ3 4.47Å; R215-W218 HydrophobicContact CG-CD2 4.38Å; R215-W218 HydrophobicContact CG-CH2 3.84Å; R215-W218 HydrophobicContact CG-CZ2 3.55Å; R215-W218 HydrophobicContact CG-CZ3 4.36Å; R215-W218 VanDerWaalsContact O-CB 3.31Å; R215-W218 WeakPolarHBondContact O-CB 3.3Å; R215-W218 VanDerWaalsContact O-CG 3.24Å; R215-W218 PolarHBondContact O-N 3.12Å; R215-W218 VanDerWaalsContact O-N 3.14Å; R215-E252 IonicContact CZ-OE1 2.96Å; R215-E252 IonicContact NH1-OE1 2.69Å; R215-E252 PolarHBondContact NH1-OE1 2.78Å; R215-E252 IonicContact NH2-OE1 2.79Å; R215-E252 PolarHBondContact NH2-OE1 2.85Å
216R88.9Confident90Very high215 Ų21554.5 Ų54.581%0.81125%0.254SS*.G310 helixtrans-62.8-24.9176.6-60.7-174.6-168.3-171.74.8112.1E214 W218 I219E214-R216 VanDerWaalsContact C-N 3.26Å; E214-R216 PolarHBondContact O-N 2.84Å; R216-W218 VanDerWaalsContact C-N 3.32Å; R216-I219 WeakPolarHBondContact O-CG2 3.48Å
217K91.1Very high90Very high64 Ų6453.4 Ų53.428%0.27825%0.25SC..G310 helixtrans-76.3-20179.2-56.8174.3-171.4166.70112.3E214 R215 I219 Q220E214-K217 WeakPolarHBondContact O-CB 3.3Å; E214-K217 PolarHBondContact O-N 3.42Å; E214-K217 VanDerWaalsContact O-N 3.07Å; E214-K217 IonicContact OE1-NZ 3.77Å; E214-K217 PolarHBondContact OE1-NZ 3.22Å; E214-K217 IonicContact OE2-NZ 2.62Å; E214-K217 PolarHBondContact OE2-NZ 3.11Å; R215-K217 PolarHBondContact O-N 2.94Å; K217-I219 VanDerWaalsContact C-N 3.27Å; K217-I219 PolarHBondContact O-N 3.19Å; K217-Q220 VanDerWaalsContact O-CB 3.29Å; K217-Q220 WeakPolarHBondContact O-CB 3.41Å; K217-Q220 WeakPolarHBondContact O-CG 3.48Å; K217-Q220 PolarHBondContact O-N 3.34Å; K217-Q220 VanDerWaalsContact O-N 3.09Å
218W91.9Very high90.1Very high8 Ų853.1 Ų53.13%0.0325%0.248CC..G310 helixtrans-60.7-33.4-173-63-0.6000113.8L45 V208 G209 R215 R216 Q220 C221 F222 L256 I260L45-W218 HydrophobicContact CD1-CE3 4.45Å; L45-W218 HydrophobicContact CD2-CD2 3.71Å; L45-W218 HydrophobicContact CD2-CE3 3.68Å; L45-W218 HydrophobicContact CD2-CG 4.13Å; L45-W218 HydrophobicContact CD2-CH2 4.47Å; L45-W218 HydrophobicContact CD2-CZ2 4.49Å; L45-W218 HydrophobicContact CD2-CZ3 4.08Å; V208-W218 VanDerWaalsContact CG2-CD1 3.43Å; V208-W218 HydrophobicContact CG2-CD2 4.33Å; V208-W218 HydrophobicContact CG2-CG 4.05Å; V208-W218 VanDerWaalsContact CG2-NE1 3.31Å; G209-W218 PolarHBondContact O-NE1 2.69Å; R215-W218 HydrophobicContact CB-CD2 4.05Å; R215-W218 HydrophobicContact CB-CE3 4.3Å; R215-W218 HydrophobicContact CB-CH2 4.39Å; R215-W218 HydrophobicContact CB-CZ2 4.14Å; R215-W218 HydrophobicContact CB-CZ3 4.47Å; R215-W218 HydrophobicContact CG-CD2 4.38Å; R215-W218 HydrophobicContact CG-CH2 3.84Å; R215-W218 HydrophobicContact CG-CZ2 3.55Å; R215-W218 HydrophobicContact CG-CZ3 4.36Å; R215-W218 VanDerWaalsContact O-CB 3.31Å; R215-W218 WeakPolarHBondContact O-CB 3.3Å; R215-W218 VanDerWaalsContact O-CG 3.24Å; R215-W218 PolarHBondContact O-N 3.12Å; R215-W218 VanDerWaalsContact O-N 3.14Å; R216-W218 VanDerWaalsContact C-N 3.32Å; W218-Q220 PolarHBondContact O-N 3.32Å; W218-Q220 VanDerWaalsContact O-N 3.09Å; W218-C221 PolarHBondContact O-N 3.38Å; W218-F222 HydrophobicContact CB-CE1 3.74Å; W218-F222 HydrophobicContact CB-CZ 3.95Å; W218-F222 WeakPolarHBondContact O-CD1 3.23Å; W218-F222 VanDerWaalsContact O-CE1 3.22Å; W218-F222 WeakPolarHBondContact O-CE1 3.45Å; W218-L256 HydrophobicContact CH2-CD1 3.8Å; W218-L256 HydrophobicContact CH2-CD2 3.88Å; W218-L256 HydrophobicContact CH2-CG 4.3Å; W218-L256 HydrophobicContact CZ3-CD1 3.72Å; W218-L256 HydrophobicContact CZ3-CG 4.45Å; W218-I260 HydrophobicContact CE3-CD1 4.09Å; W218-I260 HydrophobicContact CZ3-CD1 3.98Å; W218-I260 HydrophobicContact CZ3-CG1 4.41Å
219I86.2Confident90.2Very high78 Ų7853.1 Ų53.140%0.425%0.248SC..G310 helixtrans-56.6-27178.7-168.558.4000112.5R216 K217 C221 F222 F265R216-I219 WeakPolarHBondContact O-CG2 3.48Å; K217-I219 VanDerWaalsContact C-N 3.27Å; K217-I219 PolarHBondContact O-N 3.19Å; I219-C221 PolarHBondContact O-N 3.48Å; I219-F222 HydrophobicContact CD1-CB 4.41Å; I219-F222 HydrophobicContact CD1-CD2 3.36Å; I219-F222 HydrophobicContact CD1-CE2 3.84Å; I219-F222 HydrophobicContact CD1-CG 4.12Å; I219-F222 HydrophobicContact CG1-CD2 4.49Å; I219-F222 PolarHBondContact O-N 3Å; I219-F265 HydrophobicContact CD1-CD2 3.72Å; I219-F265 HydrophobicContact CD1-CE2 3.97Å; I219-F265 HydrophobicContact CD1-CG 4.06Å; I219-F265 HydrophobicContact CD1-CZ 4.5Å
220Q86.1Confident90.5Very high137 Ų13753 Ų5364%0.6425%0.247SC*.G310 helixtrans-66.1-23.1177.6-58.2175.916.500112.1I191 K217 W218I191-Q220 HydrophobicContact CD1-CB 4Å; K217-Q220 VanDerWaalsContact O-CB 3.29Å; K217-Q220 WeakPolarHBondContact O-CB 3.41Å; K217-Q220 WeakPolarHBondContact O-CG 3.48Å; K217-Q220 PolarHBondContact O-N 3.34Å; K217-Q220 VanDerWaalsContact O-N 3.09Å; W218-Q220 PolarHBondContact O-N 3.32Å; W218-Q220 VanDerWaalsContact O-N 3.09Å
221C88.3Confident90.9Very high10 Ų1052.7 Ų52.77%0.06824%0.243CC..G310 helixtrans-99.8-2.5-178.7-52.90000113.6L43 I191 W218 I219 N223 V225L43-C221 HydrophobicContact CD1-CB 3.6Å; L43-C221 HydrophobicContact CD2-CB 4.21Å; I191-C221 VanDerWaalsContact CD1-SG 3.53Å; W218-C221 PolarHBondContact O-N 3.38Å; I219-C221 PolarHBondContact O-N 3.48Å; C221-N223 VanDerWaalsContact C-N 3.29Å; C221-N223 PolarHBondContact O-N 3.16Å; C221-V225 WeakPolarHBondContact O-CG2 3.17Å
222F86.3Confident91.3Very high17 Ų1750 Ų508%0.07523%0.231CC..  trans-75.9-16.4-171.4-71.62000113.8L43 W218 I219 D224 F265 L266L43-F222 HydrophobicContact CD2-CD1 3.55Å; L43-F222 HydrophobicContact CD2-CE1 3.71Å; W218-F222 HydrophobicContact CB-CE1 3.74Å; W218-F222 HydrophobicContact CB-CZ 3.95Å; W218-F222 WeakPolarHBondContact O-CD1 3.23Å; W218-F222 VanDerWaalsContact O-CE1 3.22Å; W218-F222 WeakPolarHBondContact O-CE1 3.45Å; I219-F222 HydrophobicContact CD1-CB 4.41Å; I219-F222 HydrophobicContact CD1-CD2 3.36Å; I219-F222 HydrophobicContact CD1-CE2 3.84Å; I219-F222 HydrophobicContact CD1-CG 4.12Å; I219-F222 HydrophobicContact CG1-CD2 4.49Å; I219-F222 PolarHBondContact O-N 3Å; F222-D224 PolarHBondContact O-N 3.35Å; F222-F265 HydrophobicContact CD2-CB 3.97Å; F222-L266 HydrophobicContact CB-CD2 4.04Å; F222-L266 HydrophobicContact CD1-CD1 4.47Å; F222-L266 HydrophobicContact CD1-CD2 4.07Å; F222-L266 HydrophobicContact CD2-CD1 4.2Å; F222-L266 HydrophobicContact CD2-CD2 3.88Å; F222-L266 HydrophobicContact CD2-CG 4.02Å; F222-L266 HydrophobicContact CE1-CD1 4.1Å; F222-L266 HydrophobicContact CE2-CD1 3.83Å; F222-L266 HydrophobicContact CE2-CD2 4.37Å; F222-L266 HydrophobicContact CE2-CG 4.1Å; F222-L266 HydrophobicContact CG-CD2 3.75Å; F222-L266 HydrophobicContact CG-CG 4.36Å; F222-L266 HydrophobicContact CZ-CD1 3.78Å; F222-L266 HydrophobicContact CZ-CG 4.49Å
223N81.5Confident91.5Very high127 Ų12746 Ų4668%0.67922%0.218SC*.THydrogen-bonded Turntrans-71121.5-174.9-72.2-18.1000112.1R41 C221 V225R41-N223 PolarHBondContact NH1-O 3.38Å; C221-N223 VanDerWaalsContact C-N 3.29Å; C221-N223 PolarHBondContact O-N 3.16Å; N223-V225 PolarHBondContact O-N 3.26Å; N223-V225 VanDerWaalsContact O-N 3.16Å
224D79.6Confident91.9Very high86 Ų8639.9 Ų39.946%0.4619%0.185SC..THydrogen-bonded Turntrans52.532.9174.6-47.7-51000114.3Y36 R41 F222Y36-D224 PolarHBondContact OH-OD2 2.98Å; Y36-D224 VanDerWaalsContact OH-OD2 3.08Å; R41-D224 PolarHBondContact NE-O 3.34Å; R41-D224 VanDerWaalsContact NE-O 3.13Å; R41-D224 VanDerWaalsContact NH1-CB 3.28Å; R41-D224 PolarHBondContact NH1-O 3.13Å; R41-D224 PolarHBondContact NH2-O 3.36Å; F222-D224 PolarHBondContact O-N 3.35Å
225V92.1Very high92.2Very high1 Ų138.8 Ų38.81%0.00618%0.18CC..  trans-62.3136169.2175.20000109.3R41 L43 C221 N223 A227 I228 I269R41-V225 WeakPolarHBondContact O-CG1 3.27Å; L43-V225 HydrophobicContact CB-CG1 3.85Å; L43-V225 HydrophobicContact CB-CG2 4.07Å; L43-V225 HydrophobicContact CD2-CG2 4.39Å; C221-V225 WeakPolarHBondContact O-CG2 3.17Å; N223-V225 PolarHBondContact O-N 3.26Å; N223-V225 VanDerWaalsContact O-N 3.16Å; V225-A227 WeakPolarHBondContact CG1-O 3.36Å; V225-I228 HydrophobicContact CG1-CG1 4.5Å; V225-I269 HydrophobicContact CG1-CG2 4.42Å; V225-I269 WeakPolarHBondContact O-CD1 3.37Å
226T93.3Very high92.4Very high5 Ų536.4 Ų36.43%0.03117%0.172CC..SBendtrans-77.4-45.1176.1-58.50000111.1R41 I367 M370 H371R41-T226 PolarHBondContact N-OG1 3.08Å; R41-T226 VanDerWaalsContact N-OG1 3.15Å; R41-T226 WeakPolarHBondContact O-CA 3.26Å; R41-T226 WeakPolarHBondContact O-CB 3.46Å; R41-T226 PolarHBondContact O-N 2.57Å; T226-I367 HydrophobicContact CG2-CG2 4.29Å; T226-M370 HydrophobicContact CG2-CB 4.33Å; T226-H371 HydrophobicContact CG2-CB 3.63Å; T226-H371 PolarHBondContact OG1-ND1 2.66Å
227A93.9Very high92.9Very high0 Ų026.2 Ų26.20%013%0.133CC..EExtended strand (participates in β ladder)trans-150.8152.517900000111.4R41 L42 L43 V225 I272 M370R41-A227 PolarHBondContact O-N 2.99Å; L42-A227 WeakPolarHBondContact CA-O 3.41Å; L42-A227 HydrophobicContact CD2-CB 3.91Å; L43-A227 PolarHBondContact N-O 3.49Å; L43-A227 VanDerWaalsContact N-O 3.15Å; V225-A227 WeakPolarHBondContact CG1-O 3.36Å; A227-I272 HydrophobicContact CB-CD1 4.4Å; A227-M370 HydrophobicContact CB-SD 3.5Å; A227-M370 WeakPolarHBondContact CB-SD 3.41Å
228I96.3Very high93.2Very high1 Ų123.6 Ų23.61%0.00512%0.122CC..EExtended strand (participates in β ladder)trans-97.4132.5169.7-66.6162.7000108.3L43 L45 V225 F230 I260 L266 I269 S270 V271 I272L43-I228 WeakPolarHBondContact O-CA 3.49Å; L45-I228 HydrophobicContact CB-CG2 4.21Å; L45-I228 HydrophobicContact CD1-CD1 4.38Å; L45-I228 HydrophobicContact CD1-CG2 3.89Å; L45-I228 HydrophobicContact CG-CG2 4.07Å; V225-I228 HydrophobicContact CG1-CG1 4.5Å; I228-F230 HydrophobicContact CG2-CB 4.44Å; I228-I260 HydrophobicContact CD1-CG2 4.07Å; I228-L266 HydrophobicContact CD1-CB 4.25Å; I228-L266 HydrophobicContact CD1-CD1 3.77Å; I228-L266 HydrophobicContact CD1-CD2 4.09Å; I228-L266 HydrophobicContact CD1-CG 4.25Å; I228-I269 HydrophobicContact CD1-CB 4.33Å; I228-I269 HydrophobicContact CD1-CG2 3.98Å; I228-I269 HydrophobicContact CG1-CG2 3.87Å; I228-S270 PolarHBondContact N-O 3.14Å; I228-S270 VanDerWaalsContact N-O 3.16Å; I228-V271 HydrophobicContact CB-CG1 4.46Å; I228-V271 HydrophobicContact CB-CG2 4.27Å; I228-V271 HydrophobicContact CD1-CG2 4.44Å; I228-V271 HydrophobicContact CG2-CG1 4.22Å; I228-V271 CarbonylContact O-C 3.56Å; I228-V271 WeakPolarHBondContact O-CA 3.4Å; I228-I272 PolarHBondContact O-N 3.22Å
229I97.8Very high93.4Very high2 Ų223.9 Ų23.91%0.0112%0.124CC..EExtended strand (participates in β ladder)trans-100104164.4-60.5178.1000107L42 L43 L44 L45 V231 I272 F274L42-I229 HydrophobicContact CB-CD1 4.43Å; L42-I229 HydrophobicContact CD1-CD1 4.11Å; L43-I229 PolarHBondContact O-N 3.37Å; L44-I229 CarbonylContact C-O 3.52Å; L44-I229 WeakPolarHBondContact CA-O 3.45Å; L44-I229 HydrophobicContact CD1-CB 4.22Å; L44-I229 HydrophobicContact CD1-CD1 4.33Å; L44-I229 HydrophobicContact CG-CB 4.22Å; L44-I229 HydrophobicContact CG-CG2 4.49Å; L45-I229 PolarHBondContact N-O 3.46Å; I229-V231 HydrophobicContact CG2-CG2 4.16Å; I229-I272 CarbonylContact C-O 3.45Å; I229-I272 WeakPolarHBondContact CA-O 3.29Å; I229-I272 HydrophobicContact CG1-CB 4.37Å; I229-F274 HydrophobicContact CG2-CD1 4.37Å; I229-F274 HydrophobicContact CG2-CD2 3.66Å; I229-F274 HydrophobicContact CG2-CE2 3.81Å; I229-F274 HydrophobicContact CG2-CG 3.97Å; I229-F274 HydrophobicContact CG2-CZ 4.24Å
230F98.4Very high93.9Very high0 Ų022.2 Ų22.20%012%0.117CC..EExtended strand (participates in β ladder)trans-90.4121.3176.1-170-82.5000109.6L45 I228 A232 S253 L256 F257 V271 I272 L273 F274 F329L45-F230 HydrophobicContact CB-CD2 4.07Å; L45-F230 CarbonylContact O-C 3.58Å; L45-F230 WeakPolarHBondContact O-CA 3.34Å; I228-F230 HydrophobicContact CG2-CB 4.44Å; F230-A232 HydrophobicContact CE1-CB 4.26Å; F230-S253 WeakPolarHBondContact CZ-O 3.46Å; F230-L256 HydrophobicContact CE2-CD2 4.18Å; F230-L256 HydrophobicContact CE2-CG 4.02Å; F230-L256 HydrophobicContact CZ-CB 4.39Å; F230-L256 HydrophobicContact CZ-CD2 4.14Å; F230-L256 HydrophobicContact CZ-CG 4.17Å; F230-F257 HydrophobicContact CB-CD2 4.25Å; F230-F257 HydrophobicContact CB-CE2 4.41Å; F230-F257 AromaticContact CD1-CD2 3.77Å; F230-F257 HydrophobicContact CD1-CD2 3.77Å; F230-F257 AromaticContact CD2-CD2 3.93Å; F230-F257 HydrophobicContact CD2-CD2 3.93Å; F230-F257 HydrophobicContact CE1-CB 4.02Å; F230-F257 HydrophobicContact CE1-CD2 4.04Å; F230-F257 HydrophobicContact CE2-CB 4.05Å; F230-F257 HydrophobicContact CE2-CD2 4.19Å; F230-F257 AromaticContact CG-CD2 3.71Å; F230-F257 HydrophobicContact CG-CD2 3.71Å; F230-F257 HydrophobicContact CG-CE2 4.34Å; F230-F257 HydrophobicContact CZ-CB 3.71Å; F230-F257 HydrophobicContact CZ-CD2 4.24Å; F230-V271 HydrophobicContact CB-CG1 3.64Å; F230-I272 PolarHBondContact N-O 3.2Å; F230-L273 HydrophobicContact CB-CD1 4.36Å; F230-L273 HydrophobicContact CD1-CD1 3.66Å; F230-L273 HydrophobicContact CE1-CD1 4.48Å; F230-L273 HydrophobicContact CG-CD1 4.43Å; F230-L273 CarbonylContact O-C 3.27Å; F230-F274 PolarHBondContact O-N 3.07Å; F230-F329 AromaticContact CE1-CE1 3.93Å; F230-F329 HydrophobicContact CE1-CE1 3.93Å
231V98.6Very high94.4Very high0 Ų016.1 Ų16.10%09%0.089CC..EExtended strand (participates in β ladder)trans-106120.9-178.5-166.90000109.8L45 S50 K52 I229 F274 N276L45-V231 PolarHBondContact O-N 3.13Å; S50-V231 WeakPolarHBondContact CB-O 3.39Å; S50-V231 VanDerWaalsContact O-CG1 3.26Å; S50-V231 WeakPolarHBondContact O-CG1 3.37Å; K52-V231 HydrophobicContact CG-CB 4.12Å; K52-V231 HydrophobicContact CG-CG2 3.98Å; I229-V231 HydrophobicContact CG2-CG2 4.16Å; V231-F274 WeakPolarHBondContact CA-O 3.39Å; V231-F274 HydrophobicContact CG1-CB 4.37Å; V231-F274 HydrophobicContact CG2-CB 4.36Å; V231-N276 HydrophobicContact CG1-CB 3.74Å
232A98.6Very high94.6Very high0 Ų019.3 Ų19.30%010%0.099CC..EExtended strand (participates in β ladder)trans-112.3131.6176.500000110.3F230 S234 L273 F274 L275 N276 F329F230-A232 HydrophobicContact CE1-CB 4.26Å; A232-S234 PolarHBondContact O-N 3.47Å; A232-L273 HydrophobicContact CB-CD1 4.42Å; A232-F274 PolarHBondContact N-O 2.79Å; A232-L275 HydrophobicContact CB-CD2 4.31Å; A232-N276 WeakPolarHBondContact O-CA 3.33Å; A232-N276 WeakPolarHBondContact O-CB 3.34Å; A232-N276 PolarHBondContact O-N 3.35Å; A232-F329 HydrophobicContact CB-CE1 4.26Å; A232-F329 HydrophobicContact CB-CE2 3.91Å; A232-F329 HydrophobicContact CB-CZ 3.54Å
233A98.2Very high94.8Very high10 Ų1021.9 Ų21.98%0.08311%0.112CC..EExtended strand (participates in β ladder)trans-82.193.317200000110.2S235 S236 K277A233-S235 PolarHBondContact O-N 2.94Å; A233-S236 PolarHBondContact O-N 3.34Å; A233-S236 VanDerWaalsContact O-N 3.16Å; A233-K277 HydrophobicContact CB-CD 3.89Å
234S98.3Very high95.4Very high1 Ų118.3 Ų18.31%0.0079%0.093CC..G310 helixtrans-62.6-33-174.9-41.80000112.3A232 S236 N276 Q278 I325A232-S234 PolarHBondContact O-N 3.47Å; S234-S236 PolarHBondContact O-N 2.93Å; S234-N276 WeakPolarHBondContact CB-O 3.4Å; S234-N276 PolarHBondContact N-O 3.46Å; S234-N276 PolarHBondContact OG-O 2.83Å; S234-Q278 PolarHBondContact OG-NE2 2.96Å; S234-Q278 VanDerWaalsContact OG-NE2 3.16Å; S234-I325 WeakPolarHBondContact O-CD1 3.47Å
235S98.1Very high96Very high1 Ų119 Ų191%0.00710%0.096CC..G310 helixtrans-76-3.8-179.767.40000115A233 Y237 K277 K284A233-S235 PolarHBondContact O-N 2.94Å; S235-Y237 VanDerWaalsContact C-N 3.29Å; S235-Y237 PolarHBondContact O-N 3.45Å; S235-K277 VanDerWaalsContact OG-CB 3.32Å; S235-K277 WeakPolarHBondContact OG-CB 3.33Å; S235-K277 WeakPolarHBondContact OG-CD 3.48Å; S235-K284 WeakPolarHBondContact O-CD 3.49Å; S235-K284 PolarHBondContact O-NZ 3.13Å
236S97.4Very high96.1Very high2 Ų223 Ų231%0.01412%0.124CC..G310 helixtrans-90.216.6-177.6-63.30000113.9A233 S234 N238 M239A233-S236 PolarHBondContact O-N 3.34Å; A233-S236 VanDerWaalsContact O-N 3.16Å; S234-S236 PolarHBondContact O-N 2.93Å; S236-N238 PolarHBondContact O-N 3.12Å; S236-M239 PolarHBondContact O-N 3.48Å
237Y98.3Very high96.3Very high1 Ų124.6 Ų24.60%0.00413%0.134CC..THydrogen-bonded Turntrans-59.9-25.2-178.868.6-96.8000114.3S235 N248 L281 K284 I285 S290 L292 Y295S235-Y237 VanDerWaalsContact C-N 3.29Å; S235-Y237 PolarHBondContact O-N 3.45Å; Y237-N248 PolarHBondContact O-ND2 3.31Å; Y237-L281 HydrophobicContact CD1-CD1 4.02Å; Y237-L281 HydrophobicContact CE1-CD1 3.93Å; Y237-K284 HydrophobicContact CE1-CB 4.17Å; Y237-K284 HydrophobicContact CE1-CD 4.1Å; Y237-I285 HydrophobicContact CE1-CD1 4.35Å; Y237-S290 WeakPolarHBondContact CE2-O 3.47Å; Y237-S290 PolarHBondContact OH-O 3.35Å; Y237-L292 HydrophobicContact CD1-CD1 3.69Å; Y237-L292 HydrophobicContact CD2-CD1 3.47Å; Y237-L292 VanDerWaalsContact CD2-CD1 3.47Å; Y237-L292 HydrophobicContact CE1-CD1 4.17Å; Y237-L292 HydrophobicContact CE2-CD1 3.95Å; Y237-L292 HydrophobicContact CG-CD1 3.31Å; Y237-Y295 HydrophobicContact CD2-CD2 4.01Å; Y237-Y295 HydrophobicContact CE2-CD2 4.28Å; Y237-Y295 WeakPolarHBondContact O-CB 3.49Å
238N97.8Very high96.5Very high9 Ų925.4 Ų25.45%0.04814%0.139CC..THydrogen-bonded Turntrans-104.616.8-178.869.9-27.1000113.9N151 S236 K284 S290 Y295N151-N238 WeakPolarHBondContact CB-ND2 3.3Å; S236-N238 PolarHBondContact O-N 3.12Å; N238-K284 PolarHBondContact OD1-NZ 3.05Å; N238-S290 VanDerWaalsContact ND2-CB 3.34Å; N238-S290 WeakPolarHBondContact ND2-CB 3.5Å; N238-S290 PolarHBondContact ND2-OG 3.31Å; N238-Y295 HydrophobicContact CB-CD2 4.08Å; N238-Y295 HydrophobicContact CB-CE1 4.01Å; N238-Y295 HydrophobicContact CB-CE2 3.53Å; N238-Y295 VanDerWaalsContact CB-CZ 3.48Å
239M97Very high96.6Very high14 Ų1426.3 Ų26.37%0.06914%0.142CC..  trans-124.2158.1-174.2-61.6178.275.300111.7N151 S236 N248 R249N151-M239 HydrophobicContact CB-CG 4.21Å; S236-M239 PolarHBondContact O-N 3.48Å; M239-N248 CarbonylContact O-C 3.6Å; M239-N248 WeakPolarHBondContact O-CA 3.43Å; M239-R249 HydrophobicContact CB-CG 4.07Å; M239-R249 PolarHBondContact O-N 3.17Å
240V97Very high96.6Very high42 Ų4226.3 Ų26.326%0.25514%0.142SC..BIsolated β-bridgetrans-107153.5172.7-63.10000111.9Q154 T247 R249Q154-V240 PolarHBondContact NE2-O 3.46Å; Q154-V240 PolarHBondContact OE1-O 3.34Å; V240-T247 CarbonylContact C-O 3.17Å; V240-T247 WeakPolarHBondContact CA-O 3.41Å; V240-R249 VanDerWaalsContact C-CG 3.43Å; V240-R249 WeakPolarHBondContact O-CG 3.32Å; V240-R249 PolarHBondContact O-NE 2.82Å
241I95.3Very high96.6Very high9 Ų931.9 Ų31.95%0.04616%0.163CC..  trans-69.3155.217866.9175.6000111.2Q154 E243 D244 N245 T247 R249 E252Q154-I241 PolarHBondContact NE2-O 2.93Å; I241-E243 VanDerWaalsContact C-N 3.31Å; I241-E243 HydrophobicContact CD1-CB 4.2Å; I241-E243 PolarHBondContact O-N 2.87Å; I241-D244 WeakPolarHBondContact CD1-OD2 3.48Å; I241-D244 VanDerWaalsContact CG1-OD1 3.23Å; I241-D244 WeakPolarHBondContact CG1-OD1 3.24Å; I241-N245 WeakPolarHBondContact O-CA 3.47Å; I241-N245 PolarHBondContact O-N 3.29Å; I241-N245 VanDerWaalsContact O-N 3.08Å; I241-T247 HydrophobicContact CD1-CG2 4.45Å; I241-T247 PolarHBondContact N-O 2.85Å; I241-R249 HydrophobicContact CG2-CB 4.34Å; I241-R249 HydrophobicContact CG2-CG 3.85Å; I241-E252 HydrophobicContact CD1-CG 4.48Å; I241-E252 HydrophobicContact CG2-CB 4.04Å; I241-E252 HydrophobicContact CG2-CG 4.06Å
242R91.9Very high96.6Very high77 Ų7732.2 Ų32.229%0.29117%0.165SC..THydrogen-bonded Turntrans-69.2-32.2-177.6-69.5-178.7179.5-137-6.7112.3E49 Q154 D244E49-R242 IonicContact OE1-CZ 2.93Å; E49-R242 IonicContact OE1-NE 3.87Å; E49-R242 PolarHBondContact OE1-NE 3.09Å; E49-R242 VanDerWaalsContact OE1-NE 3.1Å; E49-R242 IonicContact OE1-NH1 2.94Å; E49-R242 IonicContact OE1-NH2 3.39Å; E49-R242 PolarHBondContact OE1-NH2 2.82Å; E49-R242 IonicContact OE2-CZ 3.82Å; E49-R242 IonicContact OE2-NE 3.02Å; E49-R242 PolarHBondContact OE2-NE 2.67Å; E49-R242 IonicContact OE2-NH2 3.08Å; Q154-R242 HydrophobicContact CB-CG 4.14Å; Q154-R242 HydrophobicContact CG-CB 4.49Å; Q154-R242 HydrophobicContact CG-CG 3.91Å; R242-D244 VanDerWaalsContact C-N 3.35Å; R242-D244 PolarHBondContact O-N 2.96Å
243E91.8Very high96.6Very high72 Ų7232.3 Ų32.334%0.33617%0.166SC..THydrogen-bonded Turntrans-67.3-31.1-170-65.893.7139.400113.6Q211 R212 I241Q211-E243 WeakPolarHBondContact CA-OE1 3.37Å; R212-E243 HydrophobicContact CB-CG 4.39Å; R212-E243 HydrophobicContact CG-CG 4.41Å; R212-E243 PolarHBondContact N-OE1 3.12Å; R212-E243 VanDerWaalsContact N-OE1 3.08Å; I241-E243 VanDerWaalsContact C-N 3.31Å; I241-E243 HydrophobicContact CD1-CB 4.2Å; I241-E243 PolarHBondContact O-N 2.87Å
244D93.1Very high96.6Very high51 Ų5132.5 Ų32.527%0.27317%0.165SC..THydrogen-bonded Turntrans-135.7-1.7-178.763.727.9000114.8R212 I241 R242 S246 T247R212-D244 IonicContact CZ-OD2 3.04Å; R212-D244 IonicContact NH1-OD2 3.64Å; R212-D244 PolarHBondContact NH1-OD2 3.12Å; R212-D244 IonicContact NH2-OD2 2.68Å; R212-D244 PolarHBondContact NH2-OD2 2.85Å; I241-D244 WeakPolarHBondContact CD1-OD2 3.48Å; I241-D244 VanDerWaalsContact CG1-OD1 3.23Å; I241-D244 WeakPolarHBondContact CG1-OD1 3.24Å; R242-D244 VanDerWaalsContact C-N 3.35Å; R242-D244 PolarHBondContact O-N 2.96Å; D244-S246 PolarHBondContact O-N 2.8Å; D244-S246 PolarHBondContact O-OG 3.22Å; D244-S246 VanDerWaalsContact O-OG 3.07Å; D244-S246 PolarHBondContact OD1-N 3.13Å; D244-S246 PolarHBondContact OD1-OG 2.93Å; D244-T247 PolarHBondContact OD1-N 2.65Å; D244-T247 PolarHBondContact OD1-OG1 2.95Å; D244-T247 WeakPolarHBondContact OD2-CB 3.4Å; D244-T247 PolarHBondContact OD2-OG1 3.25Å
245N92.8Very high96.6Very high100 Ų10036.5 Ų36.554%0.53519%0.186SC..SBendtrans48.126.9-178.6-68.2-50.2000114.8Q154 I241Q154-N245 WeakPolarHBondContact CG-OD1 3.32Å; Q154-N245 PolarHBondContact NE2-OD1 2.97Å; I241-N245 WeakPolarHBondContact O-CA 3.47Å; I241-N245 PolarHBondContact O-N 3.29Å; I241-N245 VanDerWaalsContact O-N 3.08Å
246S95.1Very high96.5Very high85 Ų8537.1 Ų37.159%0.59419%0.189SC*.  trans-141.6-36.4-17651.90000113D244 N248D244-S246 PolarHBondContact O-N 2.8Å; D244-S246 PolarHBondContact O-OG 3.22Å; D244-S246 VanDerWaalsContact O-OG 3.07Å; D244-S246 PolarHBondContact OD1-N 3.13Å; D244-S246 PolarHBondContact OD1-OG 2.93Å; S246-N248 PolarHBondContact O-N 3.43Å
247T97.1Very high96.6Very high40 Ų4037 Ų3725%0.24519%0.189CC..SBendtrans-74.3124.3178.2-550000110.2R212 V240 I241 D244 R249 E252R212-T247 PolarHBondContact NH2-OG1 3.27Å; V240-T247 CarbonylContact C-O 3.17Å; V240-T247 WeakPolarHBondContact CA-O 3.41Å; I241-T247 HydrophobicContact CD1-CG2 4.45Å; I241-T247 PolarHBondContact N-O 2.85Å; D244-T247 PolarHBondContact OD1-N 2.65Å; D244-T247 PolarHBondContact OD1-OG1 2.95Å; D244-T247 WeakPolarHBondContact OD2-CB 3.4Å; D244-T247 PolarHBondContact OD2-OG1 3.25Å; T247-R249 PolarHBondContact O-N 2.89Å; T247-E252 HydrophobicContact CG2-CB 3.96Å
248N98.1Very high96.5Very high17 Ų1742.7 Ų42.79%0.09121%0.21CC..BIsolated β-bridgetrans-59.1132.4174.5179.2-84.8000111.5Y237 M239 S246 L250 R251 E252Y237-N248 PolarHBondContact O-ND2 3.31Å; M239-N248 CarbonylContact O-C 3.6Å; M239-N248 WeakPolarHBondContact O-CA 3.43Å; S246-N248 PolarHBondContact O-N 3.43Å; N248-L250 PolarHBondContact O-N 3.39Å; N248-L250 PolarHBondContact OD1-N 3.39Å; N248-R251 HydrophobicContact CB-CB 4.1Å; N248-R251 HydrophobicContact CB-CG 4.07Å; N248-R251 PolarHBondContact O-N 3.34Å; N248-R251 PolarHBondContact OD1-N 3.37Å; N248-E252 WeakPolarHBondContact O-CB 2.98Å; N248-E252 PolarHBondContact O-N 2.84Å
249R98Very high96.4Very high19 Ų1945.4 Ų45.47%0.07223%0.23CC..Hα-helixtrans-63-40.2-175-67.2-168.1176.6-159.4-0.7113.3E49 M239 V240 I241 T247 S253E49-R249 IonicContact OE2-CZ 3.46Å; E49-R249 IonicContact OE2-NH1 2.91Å; E49-R249 PolarHBondContact OE2-NH1 3.24Å; E49-R249 IonicContact OE2-NH2 3.92Å; E49-R249 PolarHBondContact OE2-NH2 3.02Å; E49-R249 VanDerWaalsContact OE2-NH2 3.09Å; M239-R249 HydrophobicContact CB-CG 4.07Å; M239-R249 PolarHBondContact O-N 3.17Å; V240-R249 VanDerWaalsContact C-CG 3.43Å; V240-R249 WeakPolarHBondContact O-CG 3.32Å; V240-R249 PolarHBondContact O-NE 2.82Å; I241-R249 HydrophobicContact CG2-CB 4.34Å; I241-R249 HydrophobicContact CG2-CG 3.85Å; T247-R249 PolarHBondContact O-N 2.89Å; R249-S253 PolarHBondContact O-N 3.26Å
250L98.4Very high96.2Very high3 Ų345 Ų452%0.01623%0.228CC..Hα-helixtrans-73.4-39-179.1-178.559.7000111.4N248 S253 L254 F296 I325 F329N248-L250 PolarHBondContact O-N 3.39Å; N248-L250 PolarHBondContact OD1-N 3.39Å; L250-S253 WeakPolarHBondContact O-CB 3.3Å; L250-S253 PolarHBondContact O-N 3.39Å; L250-L254 WeakPolarHBondContact O-CG 3.23Å; L250-L254 PolarHBondContact O-N 2.92Å; L250-F296 HydrophobicContact CB-CE2 4.2Å; L250-F296 HydrophobicContact CB-CZ 3.84Å; L250-F296 HydrophobicContact CD2-CE1 4.42Å; L250-F296 HydrophobicContact CD2-CE2 3.84Å; L250-F296 HydrophobicContact CD2-CZ 3.72Å; L250-F296 HydrophobicContact CG-CE2 4.32Å; L250-F296 HydrophobicContact CG-CZ 3.8Å; L250-I325 HydrophobicContact CD1-CG2 4.04Å; L250-I325 HydrophobicContact CD2-CD1 4.16Å; L250-I325 HydrophobicContact CD2-CG1 4.04Å; L250-I325 HydrophobicContact CD2-CG2 4.19Å; L250-F329 HydrophobicContact CD1-CE2 4.06Å; L250-F329 HydrophobicContact CD1-CZ 4.29Å
251R98.2Very high96.1Very high116 Ų11643.5 Ų43.544%0.43822%0.218SC..Hα-helixtrans-62-43.7172.4-67.2-172.7177.4151.6-4.6112.1N248 S253 L254 D255 Y295 F296N248-R251 HydrophobicContact CB-CB 4.1Å; N248-R251 HydrophobicContact CB-CG 4.07Å; N248-R251 PolarHBondContact O-N 3.34Å; N248-R251 PolarHBondContact OD1-N 3.37Å; R251-S253 VanDerWaalsContact C-N 3.26Å; R251-S253 PolarHBondContact O-N 3.48Å; R251-L254 WeakPolarHBondContact O-CB 3.3Å; R251-L254 PolarHBondContact O-N 3.16Å; R251-L254 VanDerWaalsContact O-N 3.12Å; R251-D255 PolarHBondContact O-N 3.16Å; R251-Y295 PolarHBondContact NH2-O 2.87Å; R251-F296 HydrophobicContact CG-CE1 3.79Å; R251-F296 HydrophobicContact CG-CZ 3.63Å
252E97.8Very high96Very high7 Ų747.6 Ų47.63%0.03324%0.243CC..Hα-helixtrans-57.6-42.2173.9-176.8-77.3156.300111.3A47 R215 I241 T247 N248 L254 D255 L256A47-E252 WeakPolarHBondContact CB-OE2 3.5Å; R215-E252 IonicContact CZ-OE1 2.96Å; R215-E252 IonicContact NH1-OE1 2.69Å; R215-E252 PolarHBondContact NH1-OE1 2.78Å; R215-E252 IonicContact NH2-OE1 2.79Å; R215-E252 PolarHBondContact NH2-OE1 2.85Å; I241-E252 HydrophobicContact CD1-CG 4.48Å; I241-E252 HydrophobicContact CG2-CB 4.04Å; I241-E252 HydrophobicContact CG2-CG 4.06Å; T247-E252 HydrophobicContact CG2-CB 3.96Å; N248-E252 WeakPolarHBondContact O-CB 2.98Å; N248-E252 PolarHBondContact O-N 2.84Å; E252-L254 VanDerWaalsContact C-N 3.33Å; E252-L254 PolarHBondContact O-N 3.03Å; E252-D255 PolarHBondContact O-N 3.21Å; E252-L256 VanDerWaalsContact O-CB 3.27Å; E252-L256 WeakPolarHBondContact O-CB 3.47Å; E252-L256 PolarHBondContact O-N 3.05Å
253S98.4Very high95.9Very high3 Ų345.6 Ų45.62%0.02124%0.238CC..Hα-helixtrans-64.7-36177.2-169.40000112.5F230 R249 L250 R251 F257F230-S253 WeakPolarHBondContact CZ-O 3.46Å; R249-S253 PolarHBondContact O-N 3.26Å; L250-S253 WeakPolarHBondContact O-CB 3.3Å; L250-S253 PolarHBondContact O-N 3.39Å; R251-S253 VanDerWaalsContact C-N 3.26Å; R251-S253 PolarHBondContact O-N 3.48Å; S253-F257 VanDerWaalsContact O-CB 3.32Å; S253-F257 WeakPolarHBondContact O-CB 3.31Å; S253-F257 PolarHBondContact O-N 3.42Å
254L98.6Very high95.9Very high14 Ų1451.3 Ų51.37%0.07326%0.257CS..Hα-helixtrans-66.6-45.1174.6-72.3166000111.3L250 R251 E252 L256 F257 R258 F296 E328 F329 I332L250-L254 WeakPolarHBondContact O-CG 3.23Å; L250-L254 PolarHBondContact O-N 2.92Å; R251-L254 WeakPolarHBondContact O-CB 3.3Å; R251-L254 PolarHBondContact O-N 3.16Å; R251-L254 VanDerWaalsContact O-N 3.12Å; E252-L254 VanDerWaalsContact C-N 3.33Å; E252-L254 PolarHBondContact O-N 3.03Å; L254-L256 VanDerWaalsContact C-N 3.35Å; L254-L256 PolarHBondContact O-N 3.03Å; L254-F257 PolarHBondContact O-N 3.13Å; L254-R258 PolarHBondContact O-N 2.82Å; L254-F296 HydrophobicContact CD1-CE1 4.21Å; L254-E328 HydrophobicContact CD1-CB 4.2Å; L254-E328 HydrophobicContact CD2-CB 3.85Å; L254-F329 HydrophobicContact CD2-CB 4.49Å; L254-F329 HydrophobicContact CD2-CD1 3.8Å; L254-F329 HydrophobicContact CD2-CD2 3.81Å; L254-F329 HydrophobicContact CD2-CE1 3.85Å; L254-F329 HydrophobicContact CD2-CE2 3.85Å; L254-F329 HydrophobicContact CD2-CG 3.77Å; L254-F329 HydrophobicContact CD2-CZ 3.86Å; L254-F329 HydrophobicContact CG-CE1 4.41Å; L254-F329 HydrophobicContact CG-CE2 4.43Å; L254-F329 HydrophobicContact CG-CZ 4.2Å; L254-I332 HydrophobicContact CB-CD1 4.15Å; L254-I332 HydrophobicContact CD2-CD1 3.86Å; L254-I332 WeakPolarHBondContact O-CD1 3.4Å
255D97.8Very high95.7Very high85 Ų8554.2 Ų54.246%0.45527%0.267SS..Hα-helixtrans-65.2-40177.6-72.1-28.8000111.9R251 E252 R258 S259R251-D255 PolarHBondContact O-N 3.16Å; E252-D255 PolarHBondContact O-N 3.21Å; D255-R258 PolarHBondContact O-N 2.73Å; D255-R258 IonicContact OD1-CZ 2.7Å; D255-R258 IonicContact OD1-NH1 3.92Å; D255-R258 PolarHBondContact OD1-NH1 2.93Å; D255-S259 PolarHBondContact O-N 3.43Å
256L97.5Very high95.6Very high13 Ų1349.6 Ų49.67%0.06824%0.242CC..Hα-helixtrans-62.3-46.1173.6-179.461.5000111.3W218 F230 E252 L254 R258 S259 I260W218-L256 HydrophobicContact CH2-CD1 3.8Å; W218-L256 HydrophobicContact CH2-CD2 3.88Å; W218-L256 HydrophobicContact CH2-CG 4.3Å; W218-L256 HydrophobicContact CZ3-CD1 3.72Å; W218-L256 HydrophobicContact CZ3-CG 4.45Å; F230-L256 HydrophobicContact CE2-CD2 4.18Å; F230-L256 HydrophobicContact CE2-CG 4.02Å; F230-L256 HydrophobicContact CZ-CB 4.39Å; F230-L256 HydrophobicContact CZ-CD2 4.14Å; F230-L256 HydrophobicContact CZ-CG 4.17Å; E252-L256 VanDerWaalsContact O-CB 3.27Å; E252-L256 WeakPolarHBondContact O-CB 3.47Å; E252-L256 PolarHBondContact O-N 3.05Å; L254-L256 VanDerWaalsContact C-N 3.35Å; L254-L256 PolarHBondContact O-N 3.03Å; L256-R258 VanDerWaalsContact C-N 3.34Å; L256-R258 PolarHBondContact O-N 2.97Å; L256-S259 WeakPolarHBondContact O-CB 3.47Å; L256-S259 PolarHBondContact O-N 3.5Å; L256-I260 WeakPolarHBondContact O-CG1 3.42Å; L256-I260 PolarHBondContact O-N 2.92Å
257F97.8Very high95.2Very high1 Ų151.5 Ų51.50%0.00424%0.24CC..Hα-helixtrans-60-44.8176.3-178.5-97.4000111.4F230 S253 L254 S259 I260 W261 V271 L273 F329 I332F230-F257 HydrophobicContact CB-CD2 4.25Å; F230-F257 HydrophobicContact CB-CE2 4.41Å; F230-F257 AromaticContact CD1-CD2 3.77Å; F230-F257 HydrophobicContact CD1-CD2 3.77Å; F230-F257 AromaticContact CD2-CD2 3.93Å; F230-F257 HydrophobicContact CD2-CD2 3.93Å; F230-F257 HydrophobicContact CE1-CB 4.02Å; F230-F257 HydrophobicContact CE1-CD2 4.04Å; F230-F257 HydrophobicContact CE2-CB 4.05Å; F230-F257 HydrophobicContact CE2-CD2 4.19Å; F230-F257 AromaticContact CG-CD2 3.71Å; F230-F257 HydrophobicContact CG-CD2 3.71Å; F230-F257 HydrophobicContact CG-CE2 4.34Å; F230-F257 HydrophobicContact CZ-CB 3.71Å; F230-F257 HydrophobicContact CZ-CD2 4.24Å; S253-F257 VanDerWaalsContact O-CB 3.32Å; S253-F257 WeakPolarHBondContact O-CB 3.31Å; S253-F257 PolarHBondContact O-N 3.42Å; L254-F257 PolarHBondContact O-N 3.13Å; F257-S259 VanDerWaalsContact C-N 3.33Å; F257-S259 PolarHBondContact O-N 2.93Å; F257-I260 PolarHBondContact O-N 2.89Å; F257-W261 HydrophobicContact CZ-CE3 4.13Å; F257-W261 WeakPolarHBondContact O-CB 3.4Å; F257-W261 PolarHBondContact O-N 3.36Å; F257-V271 HydrophobicContact CE2-CB 4.49Å; F257-V271 HydrophobicContact CE2-CG1 3.85Å; F257-L273 HydrophobicContact CD2-CD1 4.5Å; F257-L273 HydrophobicContact CE2-CD1 4.36Å; F257-F329 HydrophobicContact CB-CD1 3.78Å; F257-F329 HydrophobicContact CB-CE1 3.72Å; F257-F329 AromaticContact CD1-CD1 3.81Å; F257-F329 HydrophobicContact CD1-CD1 3.81Å; F257-F329 AromaticContact CD2-CD1 3.98Å; F257-F329 HydrophobicContact CD2-CD1 3.98Å; F257-F329 HydrophobicContact CD2-CE1 4.39Å; F257-F329 HydrophobicContact CE1-CD1 4.38Å; F257-F329 AromaticContact CG-CD1 3.59Å; F257-F329 HydrophobicContact CG-CD1 3.59Å; F257-F329 HydrophobicContact CG-CE1 4.02Å; F257-I332 HydrophobicContact CD1-CB 4.02Å; F257-I332 HydrophobicContact CD1-CD1 3.99Å; F257-I332 HydrophobicContact CD1-CG2 3.84Å; F257-I332 HydrophobicContact CE1-CB 4.1Å; F257-I332 HydrophobicContact CE1-CG2 4.06Å
258R96.7Very high94.7Very high120 Ų12053.7 Ų53.745%0.45325%0.253SS..Hα-helixtrans-56.4-47.2174.6-170.9-176.1-62.7124.63.3111.6L254 D255 L256 I260 W261 T262 I332L254-R258 PolarHBondContact O-N 2.82Å; D255-R258 PolarHBondContact O-N 2.73Å; D255-R258 IonicContact OD1-CZ 2.7Å; D255-R258 IonicContact OD1-NH1 3.92Å; D255-R258 PolarHBondContact OD1-NH1 2.93Å; L256-R258 VanDerWaalsContact C-N 3.34Å; L256-R258 PolarHBondContact O-N 2.97Å; R258-I260 VanDerWaalsContact C-N 3.34Å; R258-I260 PolarHBondContact O-N 3.4Å; R258-W261 PolarHBondContact O-N 3.45Å; R258-T262 PolarHBondContact O-N 3.06Å; R258-T262 PolarHBondContact O-OG1 3.32Å; R258-I332 HydrophobicContact CB-CD1 4.35Å; R258-I332 HydrophobicContact CB-CG2 3.84Å; R258-I332 HydrophobicContact CG-CG2 3.95Å
259S95.1Very high94.4Very high66 Ų6653.8 Ų53.846%0.46225%0.254SS..Hα-helixtrans-59.6-42.7178.1-178.90000112.5D255 L256 F257 N263D255-S259 PolarHBondContact O-N 3.43Å; L256-S259 WeakPolarHBondContact O-CB 3.47Å; L256-S259 PolarHBondContact O-N 3.5Å; F257-S259 VanDerWaalsContact C-N 3.33Å; F257-S259 PolarHBondContact O-N 2.93Å; S259-N263 WeakPolarHBondContact O-CB 3.31Å; S259-N263 PolarHBondContact O-N 2.91Å
260I94.3Very high94.2Very high6 Ų653.4 Ų53.43%0.03125%0.254CS..Hα-helixtrans-66.7-46.1175.8-67.8-54.6000111.6L45 W218 I228 L256 F257 R258 T262 N263 L266L45-I260 HydrophobicContact CD1-CD1 3.71Å; L45-I260 HydrophobicContact CD1-CG1 4Å; L45-I260 HydrophobicContact CD1-CG2 4.01Å; W218-I260 HydrophobicContact CE3-CD1 4.09Å; W218-I260 HydrophobicContact CZ3-CD1 3.98Å; W218-I260 HydrophobicContact CZ3-CG1 4.41Å; I228-I260 HydrophobicContact CD1-CG2 4.07Å; L256-I260 WeakPolarHBondContact O-CG1 3.42Å; L256-I260 PolarHBondContact O-N 2.92Å; F257-I260 PolarHBondContact O-N 2.89Å; R258-I260 VanDerWaalsContact C-N 3.34Å; R258-I260 PolarHBondContact O-N 3.4Å; I260-T262 VanDerWaalsContact C-N 3.33Å; I260-T262 PolarHBondContact O-N 2.96Å; I260-N263 VanDerWaalsContact O-CB 3.23Å; I260-N263 WeakPolarHBondContact O-CB 3.21Å; I260-N263 PolarHBondContact O-N 2.56Å; I260-N263 VanDerWaalsContact O-N 3.13Å; I260-L266 HydrophobicContact CD1-CD1 4.19Å; I260-L266 HydrophobicContact CG2-CD1 3.97Å
261W94.4Very high94Very high9 Ų953.3 Ų53.33%0.03425%0.254CS..Hα-helixtrans-59.7-43.1-179.4-172.2-99.7000112.1F257 R258 N263 V271 S333 S336 H341 C343F257-W261 HydrophobicContact CZ-CE3 4.13Å; F257-W261 WeakPolarHBondContact O-CB 3.4Å; F257-W261 PolarHBondContact O-N 3.36Å; R258-W261 PolarHBondContact O-N 3.45Å; W261-N263 VanDerWaalsContact C-N 3.31Å; W261-N263 PolarHBondContact O-N 2.88Å; W261-V271 HydrophobicContact CE3-CB 4.48Å; W261-V271 HydrophobicContact CE3-CG2 3.92Å; W261-V271 HydrophobicContact CZ3-CB 4.21Å; W261-V271 HydrophobicContact CZ3-CG2 3.94Å; W261-S333 WeakPolarHBondContact CZ2-O 3.42Å; W261-S333 PolarHBondContact NE1-O 2.84Å; W261-S336 PolarHBondContact NE1-OG 3.41Å; W261-H341 AromaticContact CD2-CE1 3.94Å; W261-H341 AromaticContact CE2-CE1 3.87Å; W261-H341 AromaticContact CE2-NE2 3.55Å; W261-H341 AromaticContact CH2-CD2 3.9Å; W261-H341 AromaticContact CH2-NE2 3.95Å; W261-H341 AromaticContact CZ2-CD2 3.71Å; W261-H341 AromaticContact CZ2-CE1 3.97Å; W261-H341 AromaticContact CZ2-NE2 3.49Å; W261-H341 WeakPolarHBondContact CZ2-NE2 3.45Å; W261-H341 AromaticContact NE1-NE2 3.93Å; W261-H341 PolarHBondContact O-CE1 2.72Å; W261-C343 HydrophobicContact CH2-CB 4.12Å; W261-C343 HydrophobicContact CZ3-CB 3.91Å
262T92.2Very high94Very high95 Ų9547.8 Ų47.858%0.58323%0.233SC*.THydrogen-bonded Turntrans-86.53.8179.162.60000114R258 I260 R264R258-T262 PolarHBondContact O-N 3.06Å; R258-T262 PolarHBondContact O-OG1 3.32Å; I260-T262 VanDerWaalsContact C-N 3.33Å; I260-T262 PolarHBondContact O-N 2.96Å; T262-R264 PolarHBondContact O-N 3.02Å
263N91.8Very high94.1Very high36 Ų3647.5 Ų47.519%0.19323%0.231CC..  trans-69.2126.3-173.7-167.9-60.3000111.3S259 I260 W261 F265 L266 K267S259-N263 WeakPolarHBondContact O-CB 3.31Å; S259-N263 PolarHBondContact O-N 2.91Å; I260-N263 VanDerWaalsContact O-CB 3.23Å; I260-N263 WeakPolarHBondContact O-CB 3.21Å; I260-N263 PolarHBondContact O-N 2.56Å; I260-N263 VanDerWaalsContact O-N 3.13Å; W261-N263 VanDerWaalsContact C-N 3.31Å; W261-N263 PolarHBondContact O-N 2.88Å; N263-F265 PolarHBondContact O-N 2.81Å; N263-F265 VanDerWaalsContact O-N 3.08Å; N263-F265 WeakPolarHBondContact OD1-CB 3.44Å; N263-F265 WeakPolarHBondContact OD1-CD2 3.34Å; N263-F265 PolarHBondContact OD1-N 3.33Å; N263-L266 HydrophobicContact CB-CB 4.17Å; N263-L266 HydrophobicContact CB-CD1 4.16Å; N263-L266 HydrophobicContact CB-CG 4.25Å; N263-L266 CarbonylContact O-C 3.6Å; N263-L266 PolarHBondContact O-N 3.28Å; N263-K267 PolarHBondContact O-N 3.37Å
264R90.3Very high94.1Very high191 Ų19147.4 Ų47.472%0.72123%0.231SC*.THydrogen-bonded Turntrans-56.4-29-179.469.7179.3177.6-173.7-4.6114.6T262T262-R264 PolarHBondContact O-N 3.02Å
265F90.2Very high94.1Very high113 Ų11346.8 Ų46.850%0.49623%0.228SC..THydrogen-bonded Turntrans-83.4-16179.4-59-71.5000112.6I219 F222 N263I219-F265 HydrophobicContact CD1-CD2 3.72Å; I219-F265 HydrophobicContact CD1-CE2 3.97Å; I219-F265 HydrophobicContact CD1-CG 4.06Å; I219-F265 HydrophobicContact CD1-CZ 4.5Å; F222-F265 HydrophobicContact CD2-CB 3.97Å; N263-F265 PolarHBondContact O-N 2.81Å; N263-F265 VanDerWaalsContact O-N 3.08Å; N263-F265 WeakPolarHBondContact OD1-CB 3.44Å; N263-F265 WeakPolarHBondContact OD1-CD2 3.34Å; N263-F265 PolarHBondContact OD1-N 3.33Å
266L90.6Very high94.1Very high2 Ų243 Ų431%0.0121%0.207CC..THydrogen-bonded Turntrans-119.14.7-174.7-55.2174.3000113.3F222 I228 I260 N263 T268 I269F222-L266 HydrophobicContact CB-CD2 4.04Å; F222-L266 HydrophobicContact CD1-CD1 4.47Å; F222-L266 HydrophobicContact CD1-CD2 4.07Å; F222-L266 HydrophobicContact CD2-CD1 4.2Å; F222-L266 HydrophobicContact CD2-CD2 3.88Å; F222-L266 HydrophobicContact CD2-CG 4.02Å; F222-L266 HydrophobicContact CE1-CD1 4.1Å; F222-L266 HydrophobicContact CE2-CD1 3.83Å; F222-L266 HydrophobicContact CE2-CD2 4.37Å; F222-L266 HydrophobicContact CE2-CG 4.1Å; F222-L266 HydrophobicContact CG-CD2 3.75Å; F222-L266 HydrophobicContact CG-CG 4.36Å; F222-L266 HydrophobicContact CZ-CD1 3.78Å; F222-L266 HydrophobicContact CZ-CG 4.49Å; I228-L266 HydrophobicContact CD1-CB 4.25Å; I228-L266 HydrophobicContact CD1-CD1 3.77Å; I228-L266 HydrophobicContact CD1-CD2 4.09Å; I228-L266 HydrophobicContact CD1-CG 4.25Å; I260-L266 HydrophobicContact CD1-CD1 4.19Å; I260-L266 HydrophobicContact CG2-CD1 3.97Å; N263-L266 HydrophobicContact CB-CB 4.17Å; N263-L266 HydrophobicContact CB-CD1 4.16Å; N263-L266 HydrophobicContact CB-CG 4.25Å; N263-L266 CarbonylContact O-C 3.6Å; N263-L266 PolarHBondContact O-N 3.28Å; L266-T268 PolarHBondContact O-N 2.89Å; L266-I269 HydrophobicContact CD2-CG1 4.33Å; L266-I269 PolarHBondContact O-N 3.08Å
267K85.6Confident94.2Very high125 Ų12543.2 Ų43.254%0.54321%0.207SC..THydrogen-bonded Turntrans-58.2-14.3-174.371.2-177.7-177.81790116.3N263N263-K267 PolarHBondContact O-N 3.37Å
268T87.3Confident94.2Very high86 Ų8644.3 Ų44.353%0.52821%0.213SC..THydrogen-bonded Turntrans-111.1-5176.457.20000112.4L266L266-T268 PolarHBondContact O-N 2.89Å
269I91.7Very high94.2Very high20 Ų2041.3 Ų41.310%0.10321%0.206CC..  trans-91.8123.6-176.2-50.1-53.4000107.8V225 I228 L266 H341V225-I269 HydrophobicContact CG1-CG2 4.42Å; V225-I269 WeakPolarHBondContact O-CD1 3.37Å; I228-I269 HydrophobicContact CD1-CB 4.33Å; I228-I269 HydrophobicContact CD1-CG2 3.98Å; I228-I269 HydrophobicContact CG1-CG2 3.87Å; L266-I269 HydrophobicContact CD2-CG1 4.33Å; L266-I269 PolarHBondContact O-N 3.08Å; I269-H341 PolarHBondContact O-ND1 3.48Å
270S92.8Very high94.3Very high10 Ų1040.4 Ų40.47%0.0720%0.197CC..  trans-79.7152.2177.6-64.80000110.7I228 H341 Y342I228-S270 PolarHBondContact N-O 3.14Å; I228-S270 VanDerWaalsContact N-O 3.16Å; S270-H341 WeakPolarHBondContact OG-CA 3.31Å; S270-H341 WeakPolarHBondContact OG-CB 3.38Å; S270-Y342 WeakPolarHBondContact CA-O 3.38Å; S270-Y342 WeakPolarHBondContact CB-O 3.22Å; S270-Y342 WeakPolarHBondContact OG-CD1 3.36Å; S270-Y342 WeakPolarHBondContact OG-CE1 3.38Å; S270-Y342 PolarHBondContact OG-N 3.16Å; S270-Y342 VanDerWaalsContact OG-N 3.16Å
271V96.1Very high94.5Very high2 Ų240.1 Ų40.11%0.01220%0.196CC..EExtended strand (participates in β ladder)trans-115.7127.4-172.6-174.80000109.8I228 F230 F257 W261 Y342 C343 S344I228-V271 HydrophobicContact CB-CG1 4.46Å; I228-V271 HydrophobicContact CB-CG2 4.27Å; I228-V271 HydrophobicContact CD1-CG2 4.44Å; I228-V271 HydrophobicContact CG2-CG1 4.22Å; I228-V271 CarbonylContact O-C 3.56Å; I228-V271 WeakPolarHBondContact O-CA 3.4Å; F230-V271 HydrophobicContact CB-CG1 3.64Å; F257-V271 HydrophobicContact CE2-CB 4.49Å; F257-V271 HydrophobicContact CE2-CG1 3.85Å; W261-V271 HydrophobicContact CE3-CB 4.48Å; W261-V271 HydrophobicContact CE3-CG2 3.92Å; W261-V271 HydrophobicContact CZ3-CB 4.21Å; W261-V271 HydrophobicContact CZ3-CG2 3.94Å; V271-Y342 PolarHBondContact N-O 3.27Å; V271-C343 CarbonylContact O-C 3.58Å; V271-C343 VanDerWaalsContact O-CA 3.27Å; V271-C343 WeakPolarHBondContact O-CA 3.47Å; V271-S344 PolarHBondContact O-N 3.37Å
272I97.9Very high94.6Very high0 Ų040.7 Ų40.70%020%0.203CC..EExtended strand (participates in β ladder)trans-95112.7167.2-58.9171.7000106A227 I228 I229 F230 F274 S344 C363 I367 M370A227-I272 HydrophobicContact CB-CD1 4.4Å; I228-I272 PolarHBondContact O-N 3.22Å; I229-I272 CarbonylContact C-O 3.45Å; I229-I272 WeakPolarHBondContact CA-O 3.29Å; I229-I272 HydrophobicContact CG1-CB 4.37Å; F230-I272 PolarHBondContact N-O 3.2Å; I272-F274 HydrophobicContact CG2-CD1 3.9Å; I272-F274 HydrophobicContact CG2-CE1 3.48Å; I272-F274 VanDerWaalsContact CG2-CE1 3.48Å; I272-F274 HydrophobicContact CG2-CZ 4.37Å; I272-S344 CarbonylContact C-O 3.6Å; I272-S344 WeakPolarHBondContact CA-O 3.33Å; I272-C363 HydrophobicContact CD1-CB 4.11Å; I272-C363 VanDerWaalsContact CG2-SG 3.59Å; I272-I367 HydrophobicContact CD1-CD1 3.82Å; I272-I367 HydrophobicContact CD1-CG1 3.53Å; I272-M370 HydrophobicContact CG1-CE 4.22Å
273L98.5Very high94.8Very high0 Ų041.5 Ų41.50%020%0.203CC..EExtended strand (participates in β ladder)trans-94.5112.6-175.9171.564.9000109.7F230 A232 F257 L275 F329 S344 P345 H346F230-L273 HydrophobicContact CB-CD1 4.36Å; F230-L273 HydrophobicContact CD1-CD1 3.66Å; F230-L273 HydrophobicContact CE1-CD1 4.48Å; F230-L273 HydrophobicContact CG-CD1 4.43Å; F230-L273 CarbonylContact O-C 3.27Å; A232-L273 HydrophobicContact CB-CD1 4.42Å; F257-L273 HydrophobicContact CD2-CD1 4.5Å; F257-L273 HydrophobicContact CE2-CD1 4.36Å; L273-L275 HydrophobicContact CD1-CD2 4.41Å; L273-L275 HydrophobicContact CD2-CD2 4.18Å; L273-L275 HydrophobicContact CD2-CG 4.4Å; L273-L275 HydrophobicContact CG-CD2 4.23Å; L273-L275 HydrophobicContact CG-CG 4.26Å; L273-F329 HydrophobicContact CD1-CD1 4.13Å; L273-F329 HydrophobicContact CD1-CE1 4.42Å; L273-F329 HydrophobicContact CD1-CG 4.32Å; L273-F329 HydrophobicContact CD2-CB 3.36Å; L273-F329 HydrophobicContact CD2-CD1 4.17Å; L273-F329 HydrophobicContact CD2-CD2 4.21Å; L273-F329 HydrophobicContact CD2-CG 3.68Å; L273-S344 PolarHBondContact N-O 3.27Å; L273-P345 HydrophobicContact CD2-CB 4.33Å; L273-P345 CarbonylContact O-C 3.54Å; L273-P345 WeakPolarHBondContact O-CA 3.24Å; L273-H346 PolarHBondContact O-N 3.25Å
274F98.8Very high95.1Very high2 Ų242 Ų421%0.00920%0.204CC..EExtended strand (participates in β ladder)trans-93.6107172.2-77.45.6000109.9I55 I229 F230 V231 A232 I272 N276 H346 T348 V359I55-F274 HydrophobicContact CD1-CD2 4.04Å; I55-F274 HydrophobicContact CD1-CE2 4.19Å; I55-F274 HydrophobicContact CG1-CD2 4.31Å; I55-F274 HydrophobicContact CG2-CE2 4.37Å; I229-F274 HydrophobicContact CG2-CD1 4.37Å; I229-F274 HydrophobicContact CG2-CD2 3.66Å; I229-F274 HydrophobicContact CG2-CE2 3.81Å; I229-F274 HydrophobicContact CG2-CG 3.97Å; I229-F274 HydrophobicContact CG2-CZ 4.24Å; F230-F274 PolarHBondContact O-N 3.07Å; V231-F274 WeakPolarHBondContact CA-O 3.39Å; V231-F274 HydrophobicContact CG1-CB 4.37Å; V231-F274 HydrophobicContact CG2-CB 4.36Å; A232-F274 PolarHBondContact N-O 2.79Å; I272-F274 HydrophobicContact CG2-CD1 3.9Å; I272-F274 HydrophobicContact CG2-CE1 3.48Å; I272-F274 VanDerWaalsContact CG2-CE1 3.48Å; I272-F274 HydrophobicContact CG2-CZ 4.37Å; F274-N276 VanDerWaalsContact C-N 3.34Å; F274-N276 PolarHBondContact O-N 3.06Å; F274-N276 VanDerWaalsContact O-N 3.14Å; F274-H346 HydrophobicContact CD1-CB 4.04Å; F274-H346 HydrophobicContact CE1-CB 4.18Å; F274-T348 HydrophobicContact CB-CG2 4.15Å; F274-T348 HydrophobicContact CD1-CG2 3.93Å; F274-T348 HydrophobicContact CD2-CG2 4.02Å; F274-T348 HydrophobicContact CE1-CG2 4.31Å; F274-T348 HydrophobicContact CE2-CG2 4.4Å; F274-T348 HydrophobicContact CG-CG2 3.78Å; F274-V359 HydrophobicContact CD1-CG1 4.34Å; F274-V359 HydrophobicContact CE1-CG1 3.55Å; F274-V359 HydrophobicContact CZ-CG1 3.74Å
275L98.7Very high95.5Very high1 Ų134 Ų341%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-81.586.1169.3-63.8170.4000107.5A232 L273 Q278 I325 R326 F329 H346 F347 T348A232-L275 HydrophobicContact CB-CD2 4.31Å; L273-L275 HydrophobicContact CD1-CD2 4.41Å; L273-L275 HydrophobicContact CD2-CD2 4.18Å; L273-L275 HydrophobicContact CD2-CG 4.4Å; L273-L275 HydrophobicContact CG-CD2 4.23Å; L273-L275 HydrophobicContact CG-CG 4.26Å; L275-Q278 WeakPolarHBondContact O-CG 3.32Å; L275-Q278 PolarHBondContact O-NE2 3.01Å; L275-I325 HydrophobicContact CD2-CG2 4.11Å; L275-R326 HydrophobicContact CD1-CB 3.48Å; L275-R326 VanDerWaalsContact CD1-CB 3.48Å; L275-R326 HydrophobicContact CD1-CG 3.82Å; L275-F329 HydrophobicContact CD2-CD2 3.81Å; L275-F329 HydrophobicContact CD2-CE2 3.94Å; L275-H346 PolarHBondContact N-O 3.21Å; L275-F347 HydrophobicContact CB-CD1 3.95Å; L275-F347 HydrophobicContact CB-CE1 4.43Å; L275-F347 HydrophobicContact CD1-CD1 3.77Å; L275-F347 HydrophobicContact CD1-CE1 3.46Å; L275-F347 VanDerWaalsContact CD1-CE1 3.46Å; L275-F347 HydrophobicContact CD1-CZ 4.34Å; L275-T348 PolarHBondContact O-N 3.37Å
276N98.6Very high95.8Very high5 Ų533.1 Ų33.13%0.02718%0.175CC..EExtended strand (participates in β ladder)trans-83.5169.5-172.3-168.229.4000112.4S50 V231 A232 S234 F274 T348 A350S50-N276 PolarHBondContact O-ND2 3.11Å; V231-N276 HydrophobicContact CG1-CB 3.74Å; A232-N276 WeakPolarHBondContact O-CA 3.33Å; A232-N276 WeakPolarHBondContact O-CB 3.34Å; A232-N276 PolarHBondContact O-N 3.35Å; S234-N276 WeakPolarHBondContact CB-O 3.4Å; S234-N276 PolarHBondContact N-O 3.46Å; S234-N276 PolarHBondContact OG-O 2.83Å; F274-N276 VanDerWaalsContact C-N 3.34Å; F274-N276 PolarHBondContact O-N 3.06Å; F274-N276 VanDerWaalsContact O-N 3.14Å; N276-T348 CarbonylContact C-O 3.58Å; N276-T348 VanDerWaalsContact CA-O 3.28Å; N276-T348 WeakPolarHBondContact CA-O 3.23Å; N276-T348 VanDerWaalsContact CA-OG1 3.31Å; N276-T348 WeakPolarHBondContact CA-OG1 3.37Å; N276-T348 PolarHBondContact OD1-O 2.88Å; N276-A350 WeakPolarHBondContact ND2-CB 3.45Å; N276-A350 VanDerWaalsContact OD1-CB 3.3Å; N276-A350 WeakPolarHBondContact OD1-CB 3.25Å; N276-A350 PolarHBondContact OD1-N 3.24Å
277K98.2Very high96.1Very high17 Ų1735.9 Ų35.97%0.07420%0.198CC..  trans63.641.3179-52.7-173.9177.7-178.30113E49 D157 A233 S235 D279 V280 L281 T348E49-K277 WeakPolarHBondContact O-CE 3.4Å; E49-K277 PolarHBondContact O-NZ 3.07Å; D157-K277 IonicContact OD1-NZ 2.8Å; D157-K277 PolarHBondContact OD1-NZ 3.15Å; D157-K277 IonicContact OD2-NZ 2.61Å; D157-K277 PolarHBondContact OD2-NZ 2.86Å; A233-K277 HydrophobicContact CB-CD 3.89Å; S235-K277 VanDerWaalsContact OG-CB 3.32Å; S235-K277 WeakPolarHBondContact OG-CB 3.33Å; S235-K277 WeakPolarHBondContact OG-CD 3.48Å; K277-D279 VanDerWaalsContact C-N 3.28Å; K277-D279 VanDerWaalsContact C-OD1 3.24Å; K277-D279 WeakPolarHBondContact CA-OD1 3.44Å; K277-D279 PolarHBondContact O-N 2.91Å; K277-V280 HydrophobicContact CB-CB 4.41Å; K277-V280 PolarHBondContact O-N 2.94Å; K277-L281 WeakPolarHBondContact O-CB 3.28Å; K277-L281 PolarHBondContact O-N 3.32Å; K277-T348 PolarHBondContact N-O 3.18Å
278Q98.2Very high96.6Very high25 Ų2532 Ų3212%0.11719%0.193CC..Hα-helixtrans-64.8-32.6178.4-65.3-58.7-47.200112.7S234 L275 L281 A282 F347 T348S234-Q278 PolarHBondContact OG-NE2 2.96Å; S234-Q278 VanDerWaalsContact OG-NE2 3.16Å; L275-Q278 WeakPolarHBondContact O-CG 3.32Å; L275-Q278 PolarHBondContact O-NE2 3.01Å; Q278-L281 PolarHBondContact O-N 3.19Å; Q278-A282 WeakPolarHBondContact O-CB 3.41Å; Q278-A282 PolarHBondContact O-N 3.31Å; Q278-F347 HydrophobicContact CG-CB 4.02Å; Q278-T348 WeakPolarHBondContact CG-O 3.41Å; Q278-T348 PolarHBondContact N-O 3.08Å
279D96.6Very high96.9Very high57 Ų5734.5 Ų34.531%0.30520%0.197SC..Hα-helixtrans-55.6-54.5170.958.9-38.4000111.3K277 L281 A282 D283K277-D279 VanDerWaalsContact C-N 3.28Å; K277-D279 VanDerWaalsContact C-OD1 3.24Å; K277-D279 WeakPolarHBondContact CA-OD1 3.44Å; K277-D279 PolarHBondContact O-N 2.91Å; D279-L281 VanDerWaalsContact C-N 3.32Å; D279-L281 PolarHBondContact O-N 3.4Å; D279-A282 PolarHBondContact O-N 3.14Å; D279-D283 PolarHBondContact O-N 2.88Å; D279-D283 VanDerWaalsContact O-N 3.11Å
280V97.1Very high97.1Very high46 Ų4634.4 Ų34.428%0.27920%0.198SC..Hα-helixtrans-69.9-31.8-179.3-174.20000111.5K277 K284K277-V280 HydrophobicContact CB-CB 4.41Å; K277-V280 PolarHBondContact O-N 2.94Å; V280-K284 HydrophobicContact CG1-CD 4.38Å; V280-K284 HydrophobicContact CG1-CG 4.49Å; V280-K284 WeakPolarHBondContact O-CB 3.47Å; V280-K284 WeakPolarHBondContact O-CG 3.25Å; V280-K284 PolarHBondContact O-N 3.08Å; V280-K284 VanDerWaalsContact O-N 3.09Å
281L98.4Very high97.3Very high0 Ų039.2 Ų39.20%022%0.218CC..Hα-helixtrans-63.9-48.1175178.164.9000110.3Y237 K277 Q278 D279 D283 K284 I285 K322 I325Y237-L281 HydrophobicContact CD1-CD1 4.02Å; Y237-L281 HydrophobicContact CE1-CD1 3.93Å; K277-L281 WeakPolarHBondContact O-CB 3.28Å; K277-L281 PolarHBondContact O-N 3.32Å; Q278-L281 PolarHBondContact O-N 3.19Å; D279-L281 VanDerWaalsContact C-N 3.32Å; D279-L281 PolarHBondContact O-N 3.4Å; L281-D283 PolarHBondContact O-N 3.44Å; L281-K284 PolarHBondContact O-N 3.19Å; L281-I285 HydrophobicContact CD1-CD1 4.37Å; L281-I285 HydrophobicContact CD1-CG1 3.9Å; L281-I285 HydrophobicContact CG-CG1 4.28Å; L281-I285 WeakPolarHBondContact O-CB 3.49Å; L281-I285 VanDerWaalsContact O-CG1 3.22Å; L281-I285 WeakPolarHBondContact O-CG1 3.49Å; L281-I285 PolarHBondContact O-N 3.36Å; L281-K322 HydrophobicContact CD2-CB 3.84Å; L281-I325 HydrophobicContact CD1-CD1 4.03Å; L281-I325 HydrophobicContact CD2-CD1 4.03Å
282A97.8Very high97.4Very high22 Ų2239.2 Ų39.218%0.18222%0.217CC..Hα-helixtrans-57.6-50.4178.200000111.2Q278 D279 K284 I285 L286 V318Q278-A282 WeakPolarHBondContact O-CB 3.41Å; Q278-A282 PolarHBondContact O-N 3.31Å; D279-A282 PolarHBondContact O-N 3.14Å; A282-K284 VanDerWaalsContact C-N 3.34Å; A282-K284 PolarHBondContact O-N 3.27Å; A282-I285 PolarHBondContact O-N 3.5Å; A282-L286 WeakPolarHBondContact O-CB 3.39Å; A282-L286 VanDerWaalsContact O-CG 3.27Å; A282-L286 WeakPolarHBondContact O-CG 3.44Å; A282-L286 PolarHBondContact O-N 3.01Å; A282-V318 HydrophobicContact CB-CG1 3.78Å; A282-V318 HydrophobicContact CB-CG2 4.07Å
283D96.7Very high97.4Very high111 Ų11142.3 Ų42.359%0.59423%0.232SC*.Hα-helixtrans-56.3-46.1178.7-72.2-14.7000112.2D279 L281 A287D279-D283 PolarHBondContact O-N 2.88Å; D279-D283 VanDerWaalsContact O-N 3.11Å; L281-D283 PolarHBondContact O-N 3.44Å; D283-A287 WeakPolarHBondContact O-CB 3.12Å; D283-A287 PolarHBondContact O-N 3.11Å
284K97.3Very high97.4Very high48 Ų4847.7 Ų47.721%0.20926%0.261CS..Hα-helixtrans-66.1-43180-76.4-175.8177.5-174.60112.9S235 Y237 N238 V280 L281 A282 G288S235-K284 WeakPolarHBondContact O-CD 3.49Å; S235-K284 PolarHBondContact O-NZ 3.13Å; Y237-K284 HydrophobicContact CE1-CB 4.17Å; Y237-K284 HydrophobicContact CE1-CD 4.1Å; N238-K284 PolarHBondContact OD1-NZ 3.05Å; V280-K284 HydrophobicContact CG1-CD 4.38Å; V280-K284 HydrophobicContact CG1-CG 4.49Å; V280-K284 WeakPolarHBondContact O-CB 3.47Å; V280-K284 WeakPolarHBondContact O-CG 3.25Å; V280-K284 PolarHBondContact O-N 3.08Å; V280-K284 VanDerWaalsContact O-N 3.09Å; L281-K284 PolarHBondContact O-N 3.19Å; A282-K284 VanDerWaalsContact C-N 3.34Å; A282-K284 PolarHBondContact O-N 3.27Å; K284-G288 PolarHBondContact O-N 3.3Å
285I98.2Very high97.4Very high23 Ų2350.8 Ų50.812%0.11827%0.273CS..Hα-helixtrans-66.4-42.6-179.7-67.3-65.2000110.7Y237 L281 A282 G288 L292 K317 V318 A321Y237-I285 HydrophobicContact CE1-CD1 4.35Å; L281-I285 HydrophobicContact CD1-CD1 4.37Å; L281-I285 HydrophobicContact CD1-CG1 3.9Å; L281-I285 HydrophobicContact CG-CG1 4.28Å; L281-I285 WeakPolarHBondContact O-CB 3.49Å; L281-I285 VanDerWaalsContact O-CG1 3.22Å; L281-I285 WeakPolarHBondContact O-CG1 3.49Å; L281-I285 PolarHBondContact O-N 3.36Å; A282-I285 PolarHBondContact O-N 3.5Å; I285-G288 PolarHBondContact O-N 2.98Å; I285-L292 HydrophobicContact CD1-CB 4.4Å; I285-K317 HydrophobicContact CG2-CB 3.87Å; I285-V318 HydrophobicContact CB-CG2 4.46Å; I285-V318 HydrophobicContact CG2-CG2 4.26Å; I285-A321 HydrophobicContact CD1-CB 3.62Å; I285-A321 HydrophobicContact CG1-CB 3.7Å; I285-A321 HydrophobicContact CG2-CB 4.4Å
286L97.8Very high97.3Very high93 Ų9350.9 Ų50.949%0.48727%0.273SS..Hα-helixtrans-70.7-36.5178.9-66.7175.7000112.3A282 G288 D315 V318A282-L286 WeakPolarHBondContact O-CB 3.39Å; A282-L286 VanDerWaalsContact O-CG 3.27Å; A282-L286 WeakPolarHBondContact O-CG 3.44Å; A282-L286 PolarHBondContact O-N 3.01Å; L286-G288 PolarHBondContact O-N 3.22Å; L286-D315 HydrophobicContact CD2-CB 3.87Å; L286-V318 HydrophobicContact CD1-CG2 4.23Å; L286-V318 HydrophobicContact CD2-CG2 3.96Å; L286-V318 HydrophobicContact CG-CG2 3.83Å
287A96.6Very high97.3Very high61 Ų6154.3 Ų54.350%0.50430%0.296SS..Hα-helixtrans-64.4-28.6175.700000112.9D283 K289D283-A287 WeakPolarHBondContact O-CB 3.12Å; D283-A287 PolarHBondContact O-N 3.11Å; A287-K289 HydrophobicContact CB-CG 4.38Å; A287-K289 PolarHBondContact O-N 3.36Å; A287-K289 VanDerWaalsContact O-N 3.08Å
288G95.4Very high97.2Very high42 Ų4257.4 Ų57.443%0.43331%0.31SS..  trans66.710173.900000115.6K284 I285 L286K284-G288 PolarHBondContact O-N 3.3Å; I285-G288 PolarHBondContact O-N 2.98Å; L286-G288 PolarHBondContact O-N 3.22Å
289K94.4Very high97.2Very high140 Ų14056.7 Ų56.761%0.60931%0.307SS*.SBendtrans-72.9-36.7-178.8-61.9-175.4-176-176.80113.1E148 A287E148-K289 IonicContact OE2-NZ 2.6Å; E148-K289 PolarHBondContact OE2-NZ 3.44Å; A287-K289 HydrophobicContact CB-CG 4.38Å; A287-K289 PolarHBondContact O-N 3.36Å; A287-K289 VanDerWaalsContact O-N 3.08Å
290S95.6Very high97.2Very high18 Ų1858 Ų5813%0.12632%0.317CS..SBendtrans-124.5104.5175.8-58.60000108.5Y237 N238Y237-S290 WeakPolarHBondContact CE2-O 3.47Å; Y237-S290 PolarHBondContact OH-O 3.35Å; N238-S290 VanDerWaalsContact ND2-CB 3.34Å; N238-S290 WeakPolarHBondContact ND2-CB 3.5Å; N238-S290 PolarHBondContact ND2-OG 3.31Å
291K97.4Very high97.2Very high111 Ų11162.4 Ų62.448%0.48334%0.339SS..  trans-77.6144.4-177.3-56.5-178.8179.1178.80110.1E293 D294 Y295K291-E293 VanDerWaalsContact C-N 3.29Å; K291-E293 HydrophobicContact CB-CG 4.07Å; K291-E293 PolarHBondContact O-N 3.34Å; K291-D294 WeakPolarHBondContact CB-OD2 3.29Å; K291-D294 PolarHBondContact O-N 3.23Å; K291-Y295 VanDerWaalsContact O-CD2 3.28Å; K291-Y295 WeakPolarHBondContact O-CD2 3.26Å
292L98Very high97.2Very high1 Ų163.6 Ų63.61%0.00534%0.344CS..G310 helixtrans-66.2-37.5-176.1-165.777.8000110.8Y237 I285 D294 Y295 F296 Y299 A321 F324Y237-L292 HydrophobicContact CD1-CD1 3.69Å; Y237-L292 HydrophobicContact CD2-CD1 3.47Å; Y237-L292 VanDerWaalsContact CD2-CD1 3.47Å; Y237-L292 HydrophobicContact CE1-CD1 4.17Å; Y237-L292 HydrophobicContact CE2-CD1 3.95Å; Y237-L292 HydrophobicContact CG-CD1 3.31Å; I285-L292 HydrophobicContact CD1-CB 4.4Å; L292-D294 PolarHBondContact O-N 3.33Å; L292-Y295 PolarHBondContact O-N 3.31Å; L292-F296 PolarHBondContact O-N 3.23Å; L292-Y299 HydrophobicContact CB-CD1 3.59Å; L292-Y299 HydrophobicContact CB-CE1 3.71Å; L292-Y299 HydrophobicContact CB-CG 4.16Å; L292-Y299 HydrophobicContact CD2-CD1 3.74Å; L292-Y299 HydrophobicContact CD2-CD2 3.46Å; L292-Y299 VanDerWaalsContact CD2-CD2 3.46Å; L292-Y299 HydrophobicContact CD2-CE1 3.85Å; L292-Y299 HydrophobicContact CD2-CE2 3.58Å; L292-Y299 HydrophobicContact CD2-CG 3.5Å; L292-Y299 HydrophobicContact CG-CD1 4.1Å; L292-Y299 HydrophobicContact CG-CE1 4.38Å; L292-Y299 HydrophobicContact CG-CG 4.14Å; L292-A321 HydrophobicContact CD2-CB 4.42Å; L292-F324 HydrophobicContact CD2-CD1 3.43Å; L292-F324 VanDerWaalsContact CD2-CD1 3.43Å; L292-F324 HydrophobicContact CD2-CE1 3.91Å; L292-F324 HydrophobicContact CD2-CG 4.26Å; L292-F324 HydrophobicContact CG-CD1 4.48Å
293E97.9Very high97Very high65 Ų6569.6 Ų69.630%0.30437%0.368SS..G310 helixtrans-62.3-23.9178.856.4-92.5-146.500114.4K291 Y295 F296 P297 Y299K291-E293 VanDerWaalsContact C-N 3.29Å; K291-E293 HydrophobicContact CB-CG 4.07Å; K291-E293 PolarHBondContact O-N 3.34Å; E293-Y295 PolarHBondContact O-N 3.02Å; E293-F296 WeakPolarHBondContact CA-O 3.14Å; E293-F296 CarbonylContact O-C 3.57Å; E293-P297 WeakPolarHBondContact O-CA 3.41Å; E293-Y299 HydrophobicContact CB-CD1 4.26Å; E293-Y299 WeakPolarHBondContact OE2-CD1 3.22Å
294D97.8Very high96.9Very high113 Ų11366.5 Ų66.560%0.60435%0.353SS*.G310 helixtrans-68.5-25174.8-60.1-29.3000111.5K291 L292K291-D294 WeakPolarHBondContact CB-OD2 3.29Å; K291-D294 PolarHBondContact O-N 3.23Å; L292-D294 PolarHBondContact O-N 3.33Å
295Y97.9Very high96.6Very high67 Ų6765.8 Ų65.826%0.26335%0.353SS..THydrogen-bonded Turntrans-108.3-27.6-179.1-57.6-89.8000112.5Y237 N238 R251 K291 L292 E293Y237-Y295 HydrophobicContact CD2-CD2 4.01Å; Y237-Y295 HydrophobicContact CE2-CD2 4.28Å; Y237-Y295 WeakPolarHBondContact O-CB 3.49Å; N238-Y295 HydrophobicContact CB-CD2 4.08Å; N238-Y295 HydrophobicContact CB-CE1 4.01Å; N238-Y295 HydrophobicContact CB-CE2 3.53Å; N238-Y295 VanDerWaalsContact CB-CZ 3.48Å; R251-Y295 PolarHBondContact NH2-O 2.87Å; K291-Y295 VanDerWaalsContact O-CD2 3.28Å; K291-Y295 WeakPolarHBondContact O-CD2 3.26Å; L292-Y295 PolarHBondContact O-N 3.31Å; E293-Y295 PolarHBondContact O-N 3.02Å
296F98.3Very high96Very high3 Ų371.4 Ų71.41%0.01339%0.391CS..  trans-133.482.2179.5-69.3-96.1000108.9L250 R251 L254 L292 E293 E298 Y299 F324L250-F296 HydrophobicContact CB-CE2 4.2Å; L250-F296 HydrophobicContact CB-CZ 3.84Å; L250-F296 HydrophobicContact CD2-CE1 4.42Å; L250-F296 HydrophobicContact CD2-CE2 3.84Å; L250-F296 HydrophobicContact CD2-CZ 3.72Å; L250-F296 HydrophobicContact CG-CE2 4.32Å; L250-F296 HydrophobicContact CG-CZ 3.8Å; R251-F296 HydrophobicContact CG-CE1 3.79Å; R251-F296 HydrophobicContact CG-CZ 3.63Å; L254-F296 HydrophobicContact CD1-CE1 4.21Å; L292-F296 PolarHBondContact O-N 3.23Å; E293-F296 WeakPolarHBondContact CA-O 3.14Å; E293-F296 CarbonylContact O-C 3.57Å; F296-E298 WeakPolarHBondContact CD1-OE1 3.45Å; F296-E298 PolarHBondContact O-N 3.15Å; F296-E298 VanDerWaalsContact O-N 3.09Å; F296-Y299 WeakPolarHBondContact O-CB 3.07Å; F296-Y299 PolarHBondContact O-N 2.95Å; F296-F324 HydrophobicContact CB-CE1 3.83Å; F296-F324 HydrophobicContact CB-CZ 3.81Å; F296-F324 HydrophobicContact CD1-CE1 4.21Å; F296-F324 HydrophobicContact CD1-CZ 4.23Å; F296-F324 HydrophobicContact CG-CE1 4.06Å; F296-F324 HydrophobicContact CG-CZ 4.29Å
297P98.1Very high95.5Very high78 Ų7873.3 Ų73.351%0.50640%0.402SS..G310 helixtrans-53.9-32.7-174.4-28.636.3000114.4E293 Y299 T300E293-P297 WeakPolarHBondContact O-CA 3.41Å; P297-Y299 PolarHBondContact O-N 2.89Å; P297-Y299 VanDerWaalsContact O-N 3.16Å; P297-T300 WeakPolarHBondContact O-CB 3.06Å; P297-T300 PolarHBondContact O-N 2.69Å; P297-T300 PolarHBondContact O-OG1 3.09Å
298E96.4Very high95.1Very high81 Ų8171.2 Ų71.238%0.37938%0.384SS..G310 helixtrans-57.3-23.7174.960-90.5-151.400113.6F296 T300 N301 F324F296-E298 WeakPolarHBondContact CD1-OE1 3.45Å; F296-E298 PolarHBondContact O-N 3.15Å; F296-E298 VanDerWaalsContact O-N 3.09Å; E298-T300 PolarHBondContact O-N 3.33Å; E298-N301 PolarHBondContact O-N 3.09Å; E298-F324 HydrophobicContact CG-CE2 3.67Å; E298-F324 HydrophobicContact CG-CZ 3.61Å
299Y98.1Very high94.7Very high11 Ų1175 Ų754%0.04340%0.398CS..G310 helixtrans-62.1-28.4174.4-178.7-119.3000112.5L292 E293 F296 P297 N301 Y302 R320 A321 F324L292-Y299 HydrophobicContact CB-CD1 3.59Å; L292-Y299 HydrophobicContact CB-CE1 3.71Å; L292-Y299 HydrophobicContact CB-CG 4.16Å; L292-Y299 HydrophobicContact CD2-CD1 3.74Å; L292-Y299 HydrophobicContact CD2-CD2 3.46Å; L292-Y299 VanDerWaalsContact CD2-CD2 3.46Å; L292-Y299 HydrophobicContact CD2-CE1 3.85Å; L292-Y299 HydrophobicContact CD2-CE2 3.58Å; L292-Y299 HydrophobicContact CD2-CG 3.5Å; L292-Y299 HydrophobicContact CG-CD1 4.1Å; L292-Y299 HydrophobicContact CG-CE1 4.38Å; L292-Y299 HydrophobicContact CG-CG 4.14Å; E293-Y299 HydrophobicContact CB-CD1 4.26Å; E293-Y299 WeakPolarHBondContact OE2-CD1 3.22Å; F296-Y299 WeakPolarHBondContact O-CB 3.07Å; F296-Y299 PolarHBondContact O-N 2.95Å; P297-Y299 PolarHBondContact O-N 2.89Å; P297-Y299 VanDerWaalsContact O-N 3.16Å; Y299-N301 PolarHBondContact O-N 3.2Å; Y299-Y302 HydrophobicContact CD2-CD1 4.42Å; Y299-Y302 HydrophobicContact CE2-CD1 4.35Å; Y299-Y302 WeakPolarHBondContact O-CB 3.46Å; Y299-Y302 PolarHBondContact O-N 2.74Å; Y299-Y302 VanDerWaalsContact O-N 3.09Å; Y299-R320 HydrophobicContact CE2-CG 3.9Å; Y299-R320 PolarHBondContact O-NH2 3.21Å; Y299-R320 PolarHBondContact OH-NH1 2.92Å; Y299-A321 PolarHBondContact OH-N 2.84Å; Y299-F324 HydrophobicContact CD2-CB 3.62Å; Y299-F324 AromaticContact CD2-CD1 3.8Å; Y299-F324 HydrophobicContact CD2-CD1 3.8Å; Y299-F324 AromaticContact CD2-CD2 3.82Å; Y299-F324 HydrophobicContact CD2-CD2 3.82Å; Y299-F324 HydrophobicContact CD2-CE1 4.45Å; Y299-F324 HydrophobicContact CD2-CE2 4.47Å; Y299-F324 AromaticContact CD2-CG 3.44Å; Y299-F324 HydrophobicContact CD2-CG 3.44Å; Y299-F324 VanDerWaalsContact CD2-CG 3.44Å; Y299-F324 HydrophobicContact CE2-CB 3.75Å; Y299-F324 HydrophobicContact CE2-CD1 4.48Å; Y299-F324 HydrophobicContact CE2-CG 4.09Å; Y299-F324 HydrophobicContact CG-CD1 4.43Å; Y299-F324 HydrophobicContact CG-CG 4.37Å
300T97.1Very high94.4Very high84 Ų8471.6 Ų71.652%0.51539%0.39SS..G310 helixtrans-54.5-40.9-178.7-53.60000111.8P297 E298 R320P297-T300 WeakPolarHBondContact O-CB 3.06Å; P297-T300 PolarHBondContact O-N 2.69Å; P297-T300 PolarHBondContact O-OG1 3.09Å; E298-T300 PolarHBondContact O-N 3.33Å; T300-R320 PolarHBondContact O-NH2 2.84Å; T300-R320 VanDerWaalsContact O-NH2 3.08Å
301N96.1Very high93.9Very high138 Ų13874.4 Ų74.474%0.73840%0.404SS*.G310 helixtrans-98.30.4-176.4-62.1-39.4000113.2E298 Y299E298-N301 PolarHBondContact O-N 3.09Å; Y299-N301 PolarHBondContact O-N 3.2Å
302Y97.6Very high93.4Very high26 Ų2676.6 Ų76.610%0.10243%0.426CS..  trans-67.3136.2-178.6179.3-99.5000111.4Y299 V304 P305 R320 F323 F324 D327Y299-Y302 HydrophobicContact CD2-CD1 4.42Å; Y299-Y302 HydrophobicContact CE2-CD1 4.35Å; Y299-Y302 WeakPolarHBondContact O-CB 3.46Å; Y299-Y302 PolarHBondContact O-N 2.74Å; Y299-Y302 VanDerWaalsContact O-N 3.09Å; Y302-V304 HydrophobicContact CE1-CG2 4.19Å; Y302-P305 VanDerWaalsContact OH-CD 3.3Å; Y302-P305 WeakPolarHBondContact OH-CD 3.36Å; Y302-R320 HydrophobicContact CD1-CG 3.9Å; Y302-R320 HydrophobicContact CE1-CG 4.27Å; Y302-R320 WeakPolarHBondContact CE1-O 3.3Å; Y302-R320 VanDerWaalsContact O-CZ 3.27Å; Y302-R320 PolarHBondContact O-NE 3.38Å; Y302-R320 PolarHBondContact O-NH2 3.21Å; Y302-F323 HydrophobicContact CE1-CB 4.37Å; Y302-F323 WeakPolarHBondContact OH-CB 3.33Å; Y302-F323 PolarHBondContact OH-O 2.84Å; Y302-F324 HydrophobicContact CD1-CB 3.66Å; Y302-F324 HydrophobicContact CD1-CD2 4.31Å; Y302-F324 HydrophobicContact CD1-CG 4.45Å; Y302-F324 HydrophobicContact CD2-CB 4.33Å; Y302-F324 AromaticContact CD2-CD2 3.81Å; Y302-F324 HydrophobicContact CD2-CD2 3.81Å; Y302-F324 HydrophobicContact CE1-CB 3.74Å; Y302-F324 HydrophobicContact CE2-CB 4.4Å; Y302-F324 HydrophobicContact CE2-CD2 4.43Å; Y302-F324 HydrophobicContact CG-CB 3.96Å; Y302-F324 AromaticContact CG-CD2 3.73Å; Y302-F324 HydrophobicContact CG-CD2 3.73Å; Y302-F324 HydrophobicContact CG-CG 4.31Å; Y302-F324 PolarHBondContact OH-N 3.33Å; Y302-D327 HydrophobicContact CE2-CB 4.19Å; Y302-D327 WeakPolarHBondContact CE2-OD2 3.41Å; Y302-D327 PolarHBondContact OH-OD2 3.43Å
303Q94.9Very high93Very high147 Ų14780.7 Ų80.769%0.68747%0.468SS*.  trans-123.7138.7173.3-64.6-63-2200108.5
304V94.3Very high92.8Very high47 Ų4779.9 Ų79.929%0.28547%0.465SS..  trans-65.9130177.6179.10000108.7Y302 S308 R320 F323Y302-V304 HydrophobicContact CE1-CG2 4.19Å; V304-S308 VanDerWaalsContact CG1-CB 3.44Å; V304-S308 WeakPolarHBondContact CG1-OG 3.29Å; V304-R320 HydrophobicContact CG2-CB 3.89Å; V304-R320 HydrophobicContact CG2-CG 4.05Å; V304-F323 HydrophobicContact CG1-CD1 4.42Å; V304-F323 HydrophobicContact CG1-CG 4.38Å
305P90.3Very high92.7Very high33 Ų3377.5 Ų77.521%0.21445%0.452CS..  trans-56.3137.6176.2-27.735000111.7Y302 D307 S308Y302-P305 VanDerWaalsContact OH-CD 3.3Å; Y302-P305 WeakPolarHBondContact OH-CD 3.36Å; P305-D307 WeakPolarHBondContact CB-OD1 3.48Å; P305-D307 PolarHBondContact O-N 3.25Å; P305-D307 VanDerWaalsContact O-N 3.12Å; P305-S308 WeakPolarHBondContact CD-OG 3.36Å; P305-S308 WeakPolarHBondContact O-CB 3.48Å; P305-S308 PolarHBondContact O-N 2.68Å; P305-S308 PolarHBondContact O-OG 2.75Å
306P86.9Confident92.6Very high140 Ų14079.2 Ų79.291%0.90947%0.471SS*.THydrogen-bonded Turntrans-59.9-24.3-174.5-25.434.1000115.6S308P306-S308 VanDerWaalsContact C-N 3.31Å
307D86.8Confident92.6Very high133 Ų13385.5 Ų85.571%0.71150%0.498SS*.THydrogen-bonded Turntrans-85.1-2.817861.9-36.7000113.5P305P305-D307 WeakPolarHBondContact CB-OD1 3.48Å; P305-D307 PolarHBondContact O-N 3.25Å; P305-D307 VanDerWaalsContact O-N 3.12Å
308S87.6Confident92.6Very high18 Ų1882 Ų8213%0.12648%0.475CS..  trans-67.5132.2176.2-62.50000110.8V304 P305 P306 P310 F323V304-S308 VanDerWaalsContact CG1-CB 3.44Å; V304-S308 WeakPolarHBondContact CG1-OG 3.29Å; P305-S308 WeakPolarHBondContact CD-OG 3.36Å; P305-S308 WeakPolarHBondContact O-CB 3.48Å; P305-S308 PolarHBondContact O-N 2.68Å; P305-S308 PolarHBondContact O-OG 2.75Å; P306-S308 VanDerWaalsContact C-N 3.31Å; S308-P310 WeakPolarHBondContact O-CD 3.47Å; S308-F323 VanDerWaalsContact OG-CD1 3.25Å; S308-F323 WeakPolarHBondContact OG-CD1 3.31Å; S308-F323 WeakPolarHBondContact OG-CE1 3.33Å
309V87.4Confident92.6Very high122 Ų12278.4 Ų78.474%0.73946%0.459SS*.  trans-102.5106176-173.50000108.5
310P87.1Confident92.6Very high68 Ų6880.5 Ų80.544%0.44247%0.467SS..PPolyproline II helixtrans-67.1156.3173.3-15.630.9000110.9S308 T319S308-P310 WeakPolarHBondContact O-CD 3.47Å; P310-T319 HydrophobicContact CB-CG2 3.87Å; P310-T319 HydrophobicContact CG-CG2 3.97Å
311D86.8Confident92.6Very high76 Ų7676.5 Ų76.541%0.40644%0.442SS..PPolyproline II helixtrans-71.3147.8170.6-69.5-54.8000109.7G313 E314 K322D311-G313 PolarHBondContact O-N 2.93Å; D311-E314 HydrophobicContact CB-CB 4.22Å; D311-E314 VanDerWaalsContact O-CB 3.3Å; D311-E314 WeakPolarHBondContact O-CB 3.44Å; D311-E314 PolarHBondContact O-N 3.34Å; D311-E314 VanDerWaalsContact O-N 3.08Å; D311-K322 IonicContact OD2-NZ 3.63Å; D311-K322 PolarHBondContact OD2-NZ 2.89Å
312V87.3Confident92.7Very high158 Ų15870 Ų7096%0.95841%0.408SS*.THydrogen-bonded Turntrans-61122.3-176.8-179.90000110E314V312-E314 VanDerWaalsContact C-N 3.32Å
313G88.7Confident92.7Very high86 Ų8669 Ų6989%0.88740%0.404SS*.THydrogen-bonded Turntrans79.47.6179.200000115D311D311-G313 PolarHBondContact O-N 2.93Å
314E93.7Very high92.9Very high49 Ų4962.1 Ų62.123%0.22937%0.372CS..  trans-72.3139.4176.7-171.6177.9-125.500112.2D311 V312 V318 T319 K322D311-E314 HydrophobicContact CB-CB 4.22Å; D311-E314 VanDerWaalsContact O-CB 3.3Å; D311-E314 WeakPolarHBondContact O-CB 3.44Å; D311-E314 PolarHBondContact O-N 3.34Å; D311-E314 VanDerWaalsContact O-N 3.08Å; V312-E314 VanDerWaalsContact C-N 3.32Å; E314-V318 HydrophobicContact CG-CB 4.1Å; E314-V318 HydrophobicContact CG-CG1 4.15Å; E314-T319 PolarHBondContact OE2-OG1 2.97Å; E314-K322 WeakPolarHBondContact OE1-CD 3.49Å; E314-K322 WeakPolarHBondContact OE1-CE 3.35Å; E314-K322 IonicContact OE1-NZ 2.67Å; E314-K322 PolarHBondContact OE1-NZ 3.05Å; E314-K322 WeakPolarHBondContact OE2-CE 3.49Å; E314-K322 IonicContact OE2-NZ 3.1Å; E314-K322 PolarHBondContact OE2-NZ 3.48Å
315D96.4Very high93.1Very high63 Ų6360 Ų6034%0.33736%0.359SS..  trans-66.1131.8175.6-172.9-64.2000110.7L286 K317 V318 T319L286-D315 HydrophobicContact CD2-CB 3.87Å; D315-K317 PolarHBondContact O-N 3.04Å; D315-K317 VanDerWaalsContact OD1-CB 3.24Å; D315-K317 WeakPolarHBondContact OD1-CB 3.42Å; D315-K317 WeakPolarHBondContact OD1-CG 3.43Å; D315-K317 PolarHBondContact OD1-N 3Å; D315-V318 HydrophobicContact CB-CG2 4.13Å; D315-V318 WeakPolarHBondContact O-CA 3.41Å; D315-V318 WeakPolarHBondContact O-CB 3.3Å; D315-V318 PolarHBondContact O-N 2.85Å; D315-T319 PolarHBondContact O-N 3.4Å; D315-T319 PolarHBondContact O-OG1 3.4Å
316P95.8Very high93.5Very high103 Ų10360.4 Ų60.467%0.66936%0.356SS*.Hα-helixtrans-53.8-29.5180-28.135.1000114.9R320P316-R320 VanDerWaalsContact O-CB 3.27Å; P316-R320 WeakPolarHBondContact O-CB 3.44Å; P316-R320 PolarHBondContact O-N 3.05Å
317K96.8Very high94Very high134 Ų13455 Ų5558%0.58332%0.319SS*.Hα-helixtrans-67-40.4175.5-63.8175.5-179.11730111.5I285 D315 R320 A321I285-K317 HydrophobicContact CG2-CB 3.87Å; D315-K317 PolarHBondContact O-N 3.04Å; D315-K317 VanDerWaalsContact OD1-CB 3.24Å; D315-K317 WeakPolarHBondContact OD1-CB 3.42Å; D315-K317 WeakPolarHBondContact OD1-CG 3.43Å; D315-K317 PolarHBondContact OD1-N 3Å; K317-R320 PolarHBondContact O-N 3.02Å; K317-A321 WeakPolarHBondContact O-CB 3.4Å; K317-A321 PolarHBondContact O-N 3.45Å
318V97.7Very high94.5Very high4 Ų449.6 Ų49.62%0.02429%0.29CS..Hα-helixtrans-69.5-45.5177.9179.50000109.7A282 I285 L286 E314 D315 R320 A321 K322A282-V318 HydrophobicContact CB-CG1 3.78Å; A282-V318 HydrophobicContact CB-CG2 4.07Å; I285-V318 HydrophobicContact CB-CG2 4.46Å; I285-V318 HydrophobicContact CG2-CG2 4.26Å; L286-V318 HydrophobicContact CD1-CG2 4.23Å; L286-V318 HydrophobicContact CD2-CG2 3.96Å; L286-V318 HydrophobicContact CG-CG2 3.83Å; E314-V318 HydrophobicContact CG-CB 4.1Å; E314-V318 HydrophobicContact CG-CG1 4.15Å; D315-V318 HydrophobicContact CB-CG2 4.13Å; D315-V318 WeakPolarHBondContact O-CA 3.41Å; D315-V318 WeakPolarHBondContact O-CB 3.3Å; D315-V318 PolarHBondContact O-N 2.85Å; V318-R320 VanDerWaalsContact C-N 3.33Å; V318-R320 PolarHBondContact O-N 3.37Å; V318-A321 PolarHBondContact O-N 3.35Å; V318-K322 PolarHBondContact O-N 2.94Å
319T97.2Very high95Very high7 Ų748.7 Ų48.74%0.04328%0.284CS..Hα-helixtrans-54.5-51.1172.8-52.40000110.4P310 E314 D315 A321 K322 F323P310-T319 HydrophobicContact CB-CG2 3.87Å; P310-T319 HydrophobicContact CG-CG2 3.97Å; E314-T319 PolarHBondContact OE2-OG1 2.97Å; D315-T319 PolarHBondContact O-N 3.4Å; D315-T319 PolarHBondContact O-OG1 3.4Å; T319-A321 VanDerWaalsContact C-N 3.34Å; T319-A321 PolarHBondContact O-N 2.92Å; T319-K322 WeakPolarHBondContact O-CG 3.38Å; T319-K322 PolarHBondContact O-N 2.88Å; T319-F323 HydrophobicContact CG2-CD2 3.73Å; T319-F323 HydrophobicContact CG2-CE2 3.79Å; T319-F323 WeakPolarHBondContact O-CB 3.37Å; T319-F323 WeakPolarHBondContact O-CD2 3.44Å; T319-F323 PolarHBondContact O-N 2.75Å
320R97.8Very high95.4Very high54 Ų5444.7 Ų44.720%0.20426%0.258CS..Hα-helixtrans-58.9-43.6179.5-172.5177.4175.2-99.24.6112.8Y299 T300 Y302 V304 P316 K317 V318 F324Y299-R320 HydrophobicContact CE2-CG 3.9Å; Y299-R320 PolarHBondContact O-NH2 3.21Å; Y299-R320 PolarHBondContact OH-NH1 2.92Å; T300-R320 PolarHBondContact O-NH2 2.84Å; T300-R320 VanDerWaalsContact O-NH2 3.08Å; Y302-R320 HydrophobicContact CD1-CG 3.9Å; Y302-R320 HydrophobicContact CE1-CG 4.27Å; Y302-R320 WeakPolarHBondContact CE1-O 3.3Å; Y302-R320 VanDerWaalsContact O-CZ 3.27Å; Y302-R320 PolarHBondContact O-NE 3.38Å; Y302-R320 PolarHBondContact O-NH2 3.21Å; V304-R320 HydrophobicContact CG2-CB 3.89Å; V304-R320 HydrophobicContact CG2-CG 4.05Å; P316-R320 VanDerWaalsContact O-CB 3.27Å; P316-R320 WeakPolarHBondContact O-CB 3.44Å; P316-R320 PolarHBondContact O-N 3.05Å; K317-R320 PolarHBondContact O-N 3.02Å; V318-R320 VanDerWaalsContact C-N 3.33Å; V318-R320 PolarHBondContact O-N 3.37Å; R320-F324 WeakPolarHBondContact O-CB 3.32Å; R320-F324 PolarHBondContact O-N 3.37Å
321A98.4Very high95.8Very high0 Ų048 Ų480%026%0.262CS..Hα-helixtrans-65.7-48.3179.400000112.6I285 L292 Y299 K317 V318 T319 F323 F324 I325I285-A321 HydrophobicContact CD1-CB 3.62Å; I285-A321 HydrophobicContact CG1-CB 3.7Å; I285-A321 HydrophobicContact CG2-CB 4.4Å; L292-A321 HydrophobicContact CD2-CB 4.42Å; Y299-A321 PolarHBondContact OH-N 2.84Å; K317-A321 WeakPolarHBondContact O-CB 3.4Å; K317-A321 PolarHBondContact O-N 3.45Å; V318-A321 PolarHBondContact O-N 3.35Å; T319-A321 VanDerWaalsContact C-N 3.34Å; T319-A321 PolarHBondContact O-N 2.92Å; A321-F323 VanDerWaalsContact C-N 3.35Å; A321-F323 PolarHBondContact O-N 3.42Å; A321-F324 PolarHBondContact O-N 3.15Å; A321-I325 WeakPolarHBondContact O-CG1 3.37Å; A321-I325 PolarHBondContact O-N 3.46Å; A321-I325 VanDerWaalsContact O-N 3.15Å
322K97.5Very high96.3Very high3 Ų345.2 Ų45.21%0.01325%0.246CC..Hα-helixtrans-66.6-37.8-17877-179.6-173.5-170.60112L281 D311 E314 V318 T319 I325 R326 F347L281-K322 HydrophobicContact CD2-CB 3.84Å; D311-K322 IonicContact OD2-NZ 3.63Å; D311-K322 PolarHBondContact OD2-NZ 2.89Å; E314-K322 WeakPolarHBondContact OE1-CD 3.49Å; E314-K322 WeakPolarHBondContact OE1-CE 3.35Å; E314-K322 IonicContact OE1-NZ 2.67Å; E314-K322 PolarHBondContact OE1-NZ 3.05Å; E314-K322 WeakPolarHBondContact OE2-CE 3.49Å; E314-K322 IonicContact OE2-NZ 3.1Å; E314-K322 PolarHBondContact OE2-NZ 3.48Å; V318-K322 PolarHBondContact O-N 2.94Å; T319-K322 WeakPolarHBondContact O-CG 3.38Å; T319-K322 PolarHBondContact O-N 2.88Å; K322-I325 PolarHBondContact O-N 3.23Å; K322-R326 PolarHBondContact O-N 3.1Å; K322-F347 HydrophobicContact CB-CD1 4.14Å; K322-F347 HydrophobicContact CB-CE1 3.72Å; K322-F347 HydrophobicContact CB-CZ 4.3Å; K322-F347 HydrophobicContact CD-CD1 4.03Å; K322-F347 HydrophobicContact CD-CD2 4.24Å; K322-F347 HydrophobicContact CD-CE1 4Å; K322-F347 HydrophobicContact CD-CE2 4.21Å; K322-F347 HydrophobicContact CD-CG 4.16Å; K322-F347 HydrophobicContact CD-CZ 4.09Å; K322-F347 HydrophobicContact CG-CD1 4.19Å; K322-F347 HydrophobicContact CG-CE1 3.69Å; K322-F347 HydrophobicContact CG-CE2 4.36Å; K322-F347 HydrophobicContact CG-CZ 3.79Å; K322-F347 WeakPolarHBondContact O-CE1 3.41Å
323F98.2Very high96.6Very high5 Ų538.1 Ų38.12%0.02220%0.204CC..Hα-helixtrans-71.3-36.2177.5-82.9-101.8000112.3Y302 V304 S308 T319 A321 I325 R326 D327 F347Y302-F323 HydrophobicContact CE1-CB 4.37Å; Y302-F323 WeakPolarHBondContact OH-CB 3.33Å; Y302-F323 PolarHBondContact OH-O 2.84Å; V304-F323 HydrophobicContact CG1-CD1 4.42Å; V304-F323 HydrophobicContact CG1-CG 4.38Å; S308-F323 VanDerWaalsContact OG-CD1 3.25Å; S308-F323 WeakPolarHBondContact OG-CD1 3.31Å; S308-F323 WeakPolarHBondContact OG-CE1 3.33Å; T319-F323 HydrophobicContact CG2-CD2 3.73Å; T319-F323 HydrophobicContact CG2-CE2 3.79Å; T319-F323 WeakPolarHBondContact O-CB 3.37Å; T319-F323 WeakPolarHBondContact O-CD2 3.44Å; T319-F323 PolarHBondContact O-N 2.75Å; A321-F323 VanDerWaalsContact C-N 3.35Å; A321-F323 PolarHBondContact O-N 3.42Å; F323-I325 PolarHBondContact O-N 3.46Å; F323-R326 VanDerWaalsContact CD1-NH1 3.29Å; F323-R326 WeakPolarHBondContact O-CB 3.42Å; F323-R326 PolarHBondContact O-N 3.45Å; F323-D327 WeakPolarHBondContact O-CB 3.48Å; F323-D327 PolarHBondContact O-N 2.97Å; F323-F347 HydrophobicContact CD2-CE2 4.24Å; F323-F347 AromaticContact CD2-CZ 3.98Å; F323-F347 HydrophobicContact CD2-CZ 3.98Å; F323-F347 HydrophobicContact CE1-CE2 4.42Å; F323-F347 AromaticContact CE2-CE2 3.84Å; F323-F347 HydrophobicContact CE2-CE2 3.84Å; F323-F347 HydrophobicContact CE2-CZ 4.07Å; F323-F347 HydrophobicContact CG-CZ 4.25Å; F323-F347 AromaticContact CZ-CE2 3.92Å; F323-F347 HydrophobicContact CZ-CE2 3.92Å; F323-F347 HydrophobicContact CZ-CZ 4.35Å
324F98.6Very high96.7Very high2 Ų238.8 Ų38.81%0.00919%0.191CC..Hα-helixtrans-56.3-51.4170.1168.3-102000111.5L292 F296 E298 Y299 Y302 R320 A321 R326 D327 E328L292-F324 HydrophobicContact CD2-CD1 3.43Å; L292-F324 VanDerWaalsContact CD2-CD1 3.43Å; L292-F324 HydrophobicContact CD2-CE1 3.91Å; L292-F324 HydrophobicContact CD2-CG 4.26Å; L292-F324 HydrophobicContact CG-CD1 4.48Å; F296-F324 HydrophobicContact CB-CE1 3.83Å; F296-F324 HydrophobicContact CB-CZ 3.81Å; F296-F324 HydrophobicContact CD1-CE1 4.21Å; F296-F324 HydrophobicContact CD1-CZ 4.23Å; F296-F324 HydrophobicContact CG-CE1 4.06Å; F296-F324 HydrophobicContact CG-CZ 4.29Å; E298-F324 HydrophobicContact CG-CE2 3.67Å; E298-F324 HydrophobicContact CG-CZ 3.61Å; Y299-F324 HydrophobicContact CD2-CB 3.62Å; Y299-F324 AromaticContact CD2-CD1 3.8Å; Y299-F324 HydrophobicContact CD2-CD1 3.8Å; Y299-F324 AromaticContact CD2-CD2 3.82Å; Y299-F324 HydrophobicContact CD2-CD2 3.82Å; Y299-F324 HydrophobicContact CD2-CE1 4.45Å; Y299-F324 HydrophobicContact CD2-CE2 4.47Å; Y299-F324 AromaticContact CD2-CG 3.44Å; Y299-F324 HydrophobicContact CD2-CG 3.44Å; Y299-F324 VanDerWaalsContact CD2-CG 3.44Å; Y299-F324 HydrophobicContact CE2-CB 3.75Å; Y299-F324 HydrophobicContact CE2-CD1 4.48Å; Y299-F324 HydrophobicContact CE2-CG 4.09Å; Y299-F324 HydrophobicContact CG-CD1 4.43Å; Y299-F324 HydrophobicContact CG-CG 4.37Å; Y302-F324 HydrophobicContact CD1-CB 3.66Å; Y302-F324 HydrophobicContact CD1-CD2 4.31Å; Y302-F324 HydrophobicContact CD1-CG 4.45Å; Y302-F324 HydrophobicContact CD2-CB 4.33Å; Y302-F324 AromaticContact CD2-CD2 3.81Å; Y302-F324 HydrophobicContact CD2-CD2 3.81Å; Y302-F324 HydrophobicContact CE1-CB 3.74Å; Y302-F324 HydrophobicContact CE2-CB 4.4Å; Y302-F324 HydrophobicContact CE2-CD2 4.43Å; Y302-F324 HydrophobicContact CG-CB 3.96Å; Y302-F324 AromaticContact CG-CD2 3.73Å; Y302-F324 HydrophobicContact CG-CD2 3.73Å; Y302-F324 HydrophobicContact CG-CG 4.31Å; Y302-F324 PolarHBondContact OH-N 3.33Å; R320-F324 WeakPolarHBondContact O-CB 3.32Å; R320-F324 PolarHBondContact O-N 3.37Å; A321-F324 PolarHBondContact O-N 3.15Å; F324-R326 VanDerWaalsContact C-N 3.31Å; F324-R326 PolarHBondContact O-N 2.82Å; F324-D327 PolarHBondContact O-N 2.82Å; F324-D327 VanDerWaalsContact O-N 3.11Å; F324-E328 HydrophobicContact CE1-CG 4.05Å; F324-E328 HydrophobicContact CE2-CG 3.97Å; F324-E328 HydrophobicContact CZ-CG 3.7Å; F324-E328 PolarHBondContact O-N 2.85Å
325I98.6Very high96.5Very high1 Ų140.2 Ų40.21%0.00521%0.211CC..Hα-helixtrans-61.2-43.4-179.5-62.6171.5000110.3S234 L250 L275 L281 A321 K322 F323 D327 E328 F329S234-I325 WeakPolarHBondContact O-CD1 3.47Å; L250-I325 HydrophobicContact CD1-CG2 4.04Å; L250-I325 HydrophobicContact CD2-CD1 4.16Å; L250-I325 HydrophobicContact CD2-CG1 4.04Å; L250-I325 HydrophobicContact CD2-CG2 4.19Å; L275-I325 HydrophobicContact CD2-CG2 4.11Å; L281-I325 HydrophobicContact CD1-CD1 4.03Å; L281-I325 HydrophobicContact CD2-CD1 4.03Å; A321-I325 WeakPolarHBondContact O-CG1 3.37Å; A321-I325 PolarHBondContact O-N 3.46Å; A321-I325 VanDerWaalsContact O-N 3.15Å; K322-I325 PolarHBondContact O-N 3.23Å; F323-I325 PolarHBondContact O-N 3.46Å; I325-D327 VanDerWaalsContact C-N 3.29Å; I325-D327 PolarHBondContact O-N 2.88Å; I325-E328 PolarHBondContact O-N 3Å; I325-F329 HydrophobicContact CG2-CD2 4.33Å; I325-F329 HydrophobicContact CG2-CE2 4.05Å; I325-F329 VanDerWaalsContact O-CD2 3.3Å; I325-F329 WeakPolarHBondContact O-CD2 3.33Å; I325-F329 PolarHBondContact O-N 3.16Å
326R98.1Very high95.6Very high42 Ų4239.4 Ų39.416%0.15821%0.21CC..Hα-helixtrans-53.4-48.8173.9-177.2-161.969.3173.50.1111.3L275 K322 F323 F324 E328 F329 L330 P345 F347L275-R326 HydrophobicContact CD1-CB 3.48Å; L275-R326 VanDerWaalsContact CD1-CB 3.48Å; L275-R326 HydrophobicContact CD1-CG 3.82Å; K322-R326 PolarHBondContact O-N 3.1Å; F323-R326 VanDerWaalsContact CD1-NH1 3.29Å; F323-R326 WeakPolarHBondContact O-CB 3.42Å; F323-R326 PolarHBondContact O-N 3.45Å; F324-R326 VanDerWaalsContact C-N 3.31Å; F324-R326 PolarHBondContact O-N 2.82Å; R326-E328 VanDerWaalsContact C-N 3.33Å; R326-E328 PolarHBondContact O-N 3.26Å; R326-F329 PolarHBondContact O-N 2.97Å; R326-L330 HydrophobicContact CG-CD1 3.99Å; R326-L330 HydrophobicContact CG-CG 4.31Å; R326-L330 WeakPolarHBondContact O-CG 2.95Å; R326-L330 PolarHBondContact O-N 2.85Å; R326-P345 HydrophobicContact CG-CB 3.86Å; R326-P345 HydrophobicContact CG-CG 4.13Å; R326-F347 HydrophobicContact CB-CE1 4.16Å; R326-F347 HydrophobicContact CB-CZ 4.1Å; R326-F347 HydrophobicContact CG-CZ 4.41Å
327D97.6Very high94Very high27 Ų2741 Ų4114%0.14422%0.219CC..Hα-helixtrans-70.6-29.2-173.8-67.6-7.1000112.4Y302 F323 F324 I325 F329 L330 R331Y302-D327 HydrophobicContact CE2-CB 4.19Å; Y302-D327 WeakPolarHBondContact CE2-OD2 3.41Å; Y302-D327 PolarHBondContact OH-OD2 3.43Å; F323-D327 WeakPolarHBondContact O-CB 3.48Å; F323-D327 PolarHBondContact O-N 2.97Å; F324-D327 PolarHBondContact O-N 2.82Å; F324-D327 VanDerWaalsContact O-N 3.11Å; I325-D327 VanDerWaalsContact C-N 3.29Å; I325-D327 PolarHBondContact O-N 2.88Å; D327-F329 VanDerWaalsContact C-N 3.33Å; D327-F329 PolarHBondContact O-N 2.75Å; D327-L330 PolarHBondContact O-N 3.33Å; D327-R331 WeakPolarHBondContact O-CB 3.29Å; D327-R331 PolarHBondContact O-N 3.39Å
328E98.1Very high92.9Very high19 Ų1939.3 Ų39.39%0.08922%0.216CC..Hα-helixtrans-61.2-40.2170.4-71-55.1117.500112.2L254 F324 I325 R326 R331L254-E328 HydrophobicContact CD1-CB 4.2Å; L254-E328 HydrophobicContact CD2-CB 3.85Å; F324-E328 HydrophobicContact CE1-CG 4.05Å; F324-E328 HydrophobicContact CE2-CG 3.97Å; F324-E328 HydrophobicContact CZ-CG 3.7Å; F324-E328 PolarHBondContact O-N 2.85Å; I325-E328 PolarHBondContact O-N 3Å; R326-E328 VanDerWaalsContact C-N 3.33Å; R326-E328 PolarHBondContact O-N 3.26Å; E328-R331 VanDerWaalsContact CD-NH1 3.28Å; E328-R331 IonicContact OE1-CZ 3.6Å; E328-R331 IonicContact OE1-NH1 2.75Å; E328-R331 PolarHBondContact OE1-NH1 3.15Å; E328-R331 IonicContact OE1-NH2 2.75Å; E328-R331 PolarHBondContact OE1-NH2 3.21Å; E328-R331 IonicContact OE2-CZ 3.3Å; E328-R331 IonicContact OE2-NH1 3.65Å; E328-R331 PolarHBondContact OE2-NH1 2.9Å
329F98.1Very high91.7Very high0 Ų042.7 Ų42.70%025%0.251CS..Hα-helixtrans-72-41.9173.4-75.7-85.3000112.1F230 A232 L250 L254 F257 L273 L275 I325 R326 D327 R331 I332 S333F230-F329 AromaticContact CE1-CE1 3.93Å; F230-F329 HydrophobicContact CE1-CE1 3.93Å; A232-F329 HydrophobicContact CB-CE1 4.26Å; A232-F329 HydrophobicContact CB-CE2 3.91Å; A232-F329 HydrophobicContact CB-CZ 3.54Å; L250-F329 HydrophobicContact CD1-CE2 4.06Å; L250-F329 HydrophobicContact CD1-CZ 4.29Å; L254-F329 HydrophobicContact CD2-CB 4.49Å; L254-F329 HydrophobicContact CD2-CD1 3.8Å; L254-F329 HydrophobicContact CD2-CD2 3.81Å; L254-F329 HydrophobicContact CD2-CE1 3.85Å; L254-F329 HydrophobicContact CD2-CE2 3.85Å; L254-F329 HydrophobicContact CD2-CG 3.77Å; L254-F329 HydrophobicContact CD2-CZ 3.86Å; L254-F329 HydrophobicContact CG-CE1 4.41Å; L254-F329 HydrophobicContact CG-CE2 4.43Å; L254-F329 HydrophobicContact CG-CZ 4.2Å; F257-F329 HydrophobicContact CB-CD1 3.78Å; F257-F329 HydrophobicContact CB-CE1 3.72Å; F257-F329 AromaticContact CD1-CD1 3.81Å; F257-F329 HydrophobicContact CD1-CD1 3.81Å; F257-F329 AromaticContact CD2-CD1 3.98Å; F257-F329 HydrophobicContact CD2-CD1 3.98Å; F257-F329 HydrophobicContact CD2-CE1 4.39Å; F257-F329 HydrophobicContact CE1-CD1 4.38Å; F257-F329 AromaticContact CG-CD1 3.59Å; F257-F329 HydrophobicContact CG-CD1 3.59Å; F257-F329 HydrophobicContact CG-CE1 4.02Å; L273-F329 HydrophobicContact CD1-CD1 4.13Å; L273-F329 HydrophobicContact CD1-CE1 4.42Å; L273-F329 HydrophobicContact CD1-CG 4.32Å; L273-F329 HydrophobicContact CD2-CB 3.36Å; L273-F329 HydrophobicContact CD2-CD1 4.17Å; L273-F329 HydrophobicContact CD2-CD2 4.21Å; L273-F329 HydrophobicContact CD2-CG 3.68Å; L275-F329 HydrophobicContact CD2-CD2 3.81Å; L275-F329 HydrophobicContact CD2-CE2 3.94Å; I325-F329 HydrophobicContact CG2-CD2 4.33Å; I325-F329 HydrophobicContact CG2-CE2 4.05Å; I325-F329 VanDerWaalsContact O-CD2 3.3Å; I325-F329 WeakPolarHBondContact O-CD2 3.33Å; I325-F329 PolarHBondContact O-N 3.16Å; R326-F329 PolarHBondContact O-N 2.97Å; D327-F329 VanDerWaalsContact C-N 3.33Å; D327-F329 PolarHBondContact O-N 2.75Å; F329-R331 VanDerWaalsContact C-N 3.29Å; F329-R331 PolarHBondContact O-N 2.91Å; F329-I332 WeakPolarHBondContact O-CB 3.46Å; F329-I332 PolarHBondContact O-N 2.95Å; F329-I332 VanDerWaalsContact O-N 3.11Å; F329-S333 PolarHBondContact O-N 2.85Å
330L96.2Very high90.7Very high38 Ų3848.6 Ų48.620%0.19928%0.277CS..Hα-helixtrans-63.1-38-179.9-70.3-179.7000111.8R326 D327 I332 S333 T334 C343 P345R326-L330 HydrophobicContact CG-CD1 3.99Å; R326-L330 HydrophobicContact CG-CG 4.31Å; R326-L330 WeakPolarHBondContact O-CG 2.95Å; R326-L330 PolarHBondContact O-N 2.85Å; D327-L330 PolarHBondContact O-N 3.33Å; L330-I332 PolarHBondContact O-N 3.36Å; L330-S333 WeakPolarHBondContact CA-OG 3.38Å; L330-S333 PolarHBondContact O-N 3.13Å; L330-S333 PolarHBondContact O-OG 3.12Å; L330-T334 WeakPolarHBondContact O-CG2 3.36Å; L330-T334 PolarHBondContact O-N 3.29Å; L330-T334 PolarHBondContact O-OG1 2.85Å; L330-T334 VanDerWaalsContact O-OG1 3.04Å; L330-C343 HydrophobicContact CD2-CB 4.38Å; L330-P345 HydrophobicContact CD1-CG 4.29Å; L330-P345 HydrophobicContact CD2-CG 4.06Å
331R95.5Very high90.1Very high137 Ų13747.2 Ų47.252%0.51727%0.272SS..Hα-helixtrans-54.1-35.6174.5-169.2-175-62.1150.83.4112.2D327 E328 F329 A335D327-R331 WeakPolarHBondContact O-CB 3.29Å; D327-R331 PolarHBondContact O-N 3.39Å; E328-R331 VanDerWaalsContact CD-NH1 3.28Å; E328-R331 IonicContact OE1-CZ 3.6Å; E328-R331 IonicContact OE1-NH1 2.75Å; E328-R331 PolarHBondContact OE1-NH1 3.15Å; E328-R331 IonicContact OE1-NH2 2.75Å; E328-R331 PolarHBondContact OE1-NH2 3.21Å; E328-R331 IonicContact OE2-CZ 3.3Å; E328-R331 IonicContact OE2-NH1 3.65Å; E328-R331 PolarHBondContact OE2-NH1 2.9Å; F329-R331 VanDerWaalsContact C-N 3.29Å; F329-R331 PolarHBondContact O-N 2.91Å; R331-A335 WeakPolarHBondContact O-CB 3.49Å; R331-A335 PolarHBondContact O-N 3.29Å
332I95.6Very high89.7Confident17 Ų1750.9 Ų50.99%0.08729%0.287CS..Hα-helixtrans-69-47.6175-61.5167.1000110.1L254 F257 R258 F329 L330L254-I332 HydrophobicContact CB-CD1 4.15Å; L254-I332 HydrophobicContact CD2-CD1 3.86Å; L254-I332 WeakPolarHBondContact O-CD1 3.4Å; F257-I332 HydrophobicContact CD1-CB 4.02Å; F257-I332 HydrophobicContact CD1-CD1 3.99Å; F257-I332 HydrophobicContact CD1-CG2 3.84Å; F257-I332 HydrophobicContact CE1-CB 4.1Å; F257-I332 HydrophobicContact CE1-CG2 4.06Å; R258-I332 HydrophobicContact CB-CD1 4.35Å; R258-I332 HydrophobicContact CB-CG2 3.84Å; R258-I332 HydrophobicContact CG-CG2 3.95Å; F329-I332 WeakPolarHBondContact O-CB 3.46Å; F329-I332 PolarHBondContact O-N 2.95Å; F329-I332 VanDerWaalsContact O-N 3.11Å; L330-I332 PolarHBondContact O-N 3.36Å
333S93.6Very high89.6Confident10 Ų1051.7 Ų51.77%0.0729%0.292CS..Hα-helixtrans-69.4-34.3-176.462.50000113.9W261 F329 L330W261-S333 WeakPolarHBondContact CZ2-O 3.42Å; W261-S333 PolarHBondContact NE1-O 2.84Å; F329-S333 PolarHBondContact O-N 2.85Å; L330-S333 WeakPolarHBondContact CA-OG 3.38Å; L330-S333 PolarHBondContact O-N 3.13Å; L330-S333 PolarHBondContact O-OG 3.12Å
334T91.5Very high89.5Confident100 Ų10052.4 Ų52.461%0.61330%0.298SS*.Hα-helixtrans-85.1-9-177.759.20000113.3L330 S336L330-T334 WeakPolarHBondContact O-CG2 3.36Å; L330-T334 PolarHBondContact O-N 3.29Å; L330-T334 PolarHBondContact O-OG1 2.85Å; L330-T334 VanDerWaalsContact O-OG1 3.04Å; T334-S336 PolarHBondContact O-N 3.1Å
335A88.9Confident89.4Confident78 Ų7854.2 Ų54.265%0.64531%0.31SS*.THydrogen-bonded Turntrans-68.2-23.6174.600000112.4R331R331-A335 WeakPolarHBondContact O-CB 3.49Å; R331-A335 PolarHBondContact O-N 3.29Å
336S77.9Confident89.3Confident46 Ų4655.6 Ų55.632%0.32232%0.316SS..  trans-90.3121175.3-560000110.5W261 T334W261-S336 PolarHBondContact NE1-OG 3.41Å; T334-S336 PolarHBondContact O-N 3.1Å
337T63.2Low89.3Confident138 Ų13855.5 Ų55.585%0.84732%0.318SS*.  trans-93.27.2-174.7560000114G339T337-G339 VanDerWaalsContact C-N 3.27Å; T337-G339 PolarHBondContact O-N 2.84Å
338D72.8Confident89.3Confident97 Ų9754.2 Ų54.252%0.51931%0.311SS..  trans-67.5-23.7-172.9-50.847.6000113.8K340D338-K340 HydrophobicContact CB-CB 4.4Å; D338-K340 HydrophobicContact CB-CD 4.07Å; D338-K340 HydrophobicContact CB-CG 4.05Å; D338-K340 PolarHBondContact O-N 3.25Å; D338-K340 IonicContact OD2-NZ 2.74Å
339G71.6Confident89.3Confident75 Ų7554 Ų5477%0.77331%0.311SS*.  trans63.26.1-176.500000115.6T337 H341T337-G339 VanDerWaalsContact C-N 3.27Å; T337-G339 PolarHBondContact O-N 2.84Å; G339-H341 PolarHBondContact O-N 3.15Å
340K77Confident89.3Confident132 Ų13254.2 Ų54.257%0.57431%0.312SS*.SBendtrans-73.7-25.1-172.3-71.9172.9-173.21550114.3D338D338-K340 HydrophobicContact CB-CB 4.4Å; D338-K340 HydrophobicContact CB-CD 4.07Å; D338-K340 HydrophobicContact CB-CG 4.05Å; D338-K340 PolarHBondContact O-N 3.25Å; D338-K340 IonicContact OD2-NZ 2.74Å
341H86.1Confident89.3Confident25 Ų2554 Ų5412%0.11631%0.311CS..SBendtrans-151.7158.2-179.863.7163000109.5W261 I269 S270 G339W261-H341 AromaticContact CD2-CE1 3.94Å; W261-H341 AromaticContact CE2-CE1 3.87Å; W261-H341 AromaticContact CE2-NE2 3.55Å; W261-H341 AromaticContact CH2-CD2 3.9Å; W261-H341 AromaticContact CH2-NE2 3.95Å; W261-H341 AromaticContact CZ2-CD2 3.71Å; W261-H341 AromaticContact CZ2-CE1 3.97Å; W261-H341 AromaticContact CZ2-NE2 3.49Å; W261-H341 WeakPolarHBondContact CZ2-NE2 3.45Å; W261-H341 AromaticContact NE1-NE2 3.93Å; W261-H341 PolarHBondContact O-CE1 2.72Å; I269-H341 PolarHBondContact O-ND1 3.48Å; S270-H341 WeakPolarHBondContact OG-CA 3.31Å; S270-H341 WeakPolarHBondContact OG-CB 3.38Å; G339-H341 PolarHBondContact O-N 3.15Å
342Y90.1Very high89.5Confident76 Ų7651 Ų5130%0.29831%0.305SS..  trans-130.5159.8-175.457.9-86.7000111.7S270 V271 I366 M370S270-Y342 WeakPolarHBondContact CA-O 3.38Å; S270-Y342 WeakPolarHBondContact CB-O 3.22Å; S270-Y342 WeakPolarHBondContact OG-CD1 3.36Å; S270-Y342 WeakPolarHBondContact OG-CE1 3.38Å; S270-Y342 PolarHBondContact OG-N 3.16Å; S270-Y342 VanDerWaalsContact OG-N 3.16Å; V271-Y342 PolarHBondContact N-O 3.27Å; Y342-I366 HydrophobicContact CE2-CG2 3.54Å; Y342-I366 WeakPolarHBondContact OH-CG2 3.38Å; Y342-M370 HydrophobicContact CD2-CE 4.42Å; Y342-M370 HydrophobicContact CE1-CE 4.3Å; Y342-M370 HydrophobicContact CE1-CG 4.48Å; Y342-M370 HydrophobicContact CE2-CE 3.56Å; Y342-M370 VanDerWaalsContact CZ-CE 3.49Å; Y342-M370 WeakPolarHBondContact OH-CE 3.5Å; Y342-M370 VanDerWaalsContact OH-CG 3.3Å; Y342-M370 WeakPolarHBondContact OH-CG 3.46Å
343C94.7Very high89.5Confident20 Ų2051.7 Ų51.714%0.13531%0.31CS..EExtended strand (participates in β ladder)trans-107.7123.6173.7-175.10000109W261 V271 L330W261-C343 HydrophobicContact CH2-CB 4.12Å; W261-C343 HydrophobicContact CZ3-CB 3.91Å; V271-C343 CarbonylContact O-C 3.58Å; V271-C343 VanDerWaalsContact O-CA 3.27Å; V271-C343 WeakPolarHBondContact O-CA 3.47Å; L330-C343 HydrophobicContact CD2-CB 4.38Å
344S95.5Very high89.6Confident20 Ų2056.4 Ų56.414%0.1433%0.331CS..EExtended strand (participates in β ladder)trans-109.8103.1175-170.60000109.7V271 I272 L273 H346 I366V271-S344 PolarHBondContact O-N 3.37Å; I272-S344 CarbonylContact C-O 3.6Å; I272-S344 WeakPolarHBondContact CA-O 3.33Å; L273-S344 PolarHBondContact N-O 3.27Å; S344-H346 PolarHBondContact O-CD2 3.08Å; S344-H346 VanDerWaalsContact O-CD2 3.3Å; S344-H346 PolarHBondContact OG-NE2 2.71Å; S344-I366 WeakPolarHBondContact OG-CD1 3.44Å
345P96.8Very high89.9Confident41 Ų4153.1 Ų53.127%0.26631%0.31SS..EExtended strand (participates in β ladder)trans-81.5139.3-179.533.2-35.4000112.4L273 R326 L330L273-P345 HydrophobicContact CD2-CB 4.33Å; L273-P345 CarbonylContact O-C 3.54Å; L273-P345 WeakPolarHBondContact O-CA 3.24Å; R326-P345 HydrophobicContact CG-CB 3.86Å; R326-P345 HydrophobicContact CG-CG 4.13Å; L330-P345 HydrophobicContact CD1-CG 4.29Å; L330-P345 HydrophobicContact CD2-CG 4.06Å
346H97.4Very high90.3Very high29 Ų2949.5 Ų49.513%0.13428%0.28CS..EExtended strand (participates in β ladder)trans-136.5135.5173.8-60.4-95.5000109.9L273 F274 L275 S344 T348 V359L273-H346 PolarHBondContact O-N 3.25Å; F274-H346 HydrophobicContact CD1-CB 4.04Å; F274-H346 HydrophobicContact CE1-CB 4.18Å; L275-H346 PolarHBondContact N-O 3.21Å; S344-H346 PolarHBondContact O-CD2 3.08Å; S344-H346 VanDerWaalsContact O-CD2 3.3Å; S344-H346 PolarHBondContact OG-NE2 2.71Å; H346-T348 HydrophobicContact CB-CG2 4.39Å; H346-V359 HydrophobicContact CB-CG1 3.66Å
347F97.6Very high91.1Very high41 Ų4151.8 Ų51.818%0.1828%0.281CS..EExtended strand (participates in β ladder)trans-82122.9172.1-62.1-63.3000109.4L275 Q278 K322 F323 R326L275-F347 HydrophobicContact CB-CD1 3.95Å; L275-F347 HydrophobicContact CB-CE1 4.43Å; L275-F347 HydrophobicContact CD1-CD1 3.77Å; L275-F347 HydrophobicContact CD1-CE1 3.46Å; L275-F347 VanDerWaalsContact CD1-CE1 3.46Å; L275-F347 HydrophobicContact CD1-CZ 4.34Å; Q278-F347 HydrophobicContact CG-CB 4.02Å; K322-F347 HydrophobicContact CB-CD1 4.14Å; K322-F347 HydrophobicContact CB-CE1 3.72Å; K322-F347 HydrophobicContact CB-CZ 4.3Å; K322-F347 HydrophobicContact CD-CD1 4.03Å; K322-F347 HydrophobicContact CD-CD2 4.24Å; K322-F347 HydrophobicContact CD-CE1 4Å; K322-F347 HydrophobicContact CD-CE2 4.21Å; K322-F347 HydrophobicContact CD-CG 4.16Å; K322-F347 HydrophobicContact CD-CZ 4.09Å; K322-F347 HydrophobicContact CG-CD1 4.19Å; K322-F347 HydrophobicContact CG-CE1 3.69Å; K322-F347 HydrophobicContact CG-CE2 4.36Å; K322-F347 HydrophobicContact CG-CZ 3.79Å; K322-F347 WeakPolarHBondContact O-CE1 3.41Å; F323-F347 HydrophobicContact CD2-CE2 4.24Å; F323-F347 AromaticContact CD2-CZ 3.98Å; F323-F347 HydrophobicContact CD2-CZ 3.98Å; F323-F347 HydrophobicContact CE1-CE2 4.42Å; F323-F347 AromaticContact CE2-CE2 3.84Å; F323-F347 HydrophobicContact CE2-CE2 3.84Å; F323-F347 HydrophobicContact CE2-CZ 4.07Å; F323-F347 HydrophobicContact CG-CZ 4.25Å; F323-F347 AromaticContact CZ-CE2 3.92Å; F323-F347 HydrophobicContact CZ-CE2 3.92Å; F323-F347 HydrophobicContact CZ-CZ 4.35Å; R326-F347 HydrophobicContact CB-CE1 4.16Å; R326-F347 HydrophobicContact CB-CZ 4.1Å; R326-F347 HydrophobicContact CG-CZ 4.41Å
348T98.1Very high92.6Very high0 Ų051.5 Ų51.50%027%0.265CS..  trans-129.6149-172.655.60000113.7F274 L275 N276 K277 Q278 H346 N355 I356 V359F274-T348 HydrophobicContact CB-CG2 4.15Å; F274-T348 HydrophobicContact CD1-CG2 3.93Å; F274-T348 HydrophobicContact CD2-CG2 4.02Å; F274-T348 HydrophobicContact CE1-CG2 4.31Å; F274-T348 HydrophobicContact CE2-CG2 4.4Å; F274-T348 HydrophobicContact CG-CG2 3.78Å; L275-T348 PolarHBondContact O-N 3.37Å; N276-T348 CarbonylContact C-O 3.58Å; N276-T348 VanDerWaalsContact CA-O 3.28Å; N276-T348 WeakPolarHBondContact CA-O 3.23Å; N276-T348 VanDerWaalsContact CA-OG1 3.31Å; N276-T348 WeakPolarHBondContact CA-OG1 3.37Å; N276-T348 PolarHBondContact OD1-O 2.88Å; K277-T348 PolarHBondContact N-O 3.18Å; Q278-T348 WeakPolarHBondContact CG-O 3.41Å; Q278-T348 PolarHBondContact N-O 3.08Å; H346-T348 HydrophobicContact CB-CG2 4.39Å; T348-N355 WeakPolarHBondContact CA-OD1 3.42Å; T348-I356 HydrophobicContact CG2-CD1 4.16Å; T348-V359 HydrophobicContact CG2-CB 4.26Å; T348-V359 HydrophobicContact CG2-CG1 3.77Å; T348-V359 HydrophobicContact CG2-CG2 4.14Å
349C97.8Very high93.6Very high15 Ų1547 Ų4710%0.10124%0.241CC..  trans-121.996.1165.5-1770000107.7I351 D352 N355C349-I351 PolarHBondContact O-N 2.84Å; C349-I351 VanDerWaalsContact SG-CG1 3.53Å; C349-D352 HydrophobicContact CB-CB 3.89Å; C349-D352 WeakPolarHBondContact O-CB 3.47Å; C349-D352 PolarHBondContact O-N 3Å; C349-N355 PolarHBondContact N-OD1 2.89Å
350A97.8Very high94.6Very high3 Ų343.6 Ų43.63%0.02521%0.205CC..THydrogen-bonded Turntrans-61.5-20.7-172.300000114.2T54 I55 Q58 N276T54-A350 HydrophobicContact CG2-CB 3.8Å; T54-A350 VanDerWaalsContact CG2-O 3.3Å; T54-A350 WeakPolarHBondContact CG2-O 3.48Å; I55-A350 HydrophobicContact CD1-CB 3.63Å; I55-A350 HydrophobicContact CG1-CB 4.22Å; Q58-A350 VanDerWaalsContact CG-O 3.25Å; Q58-A350 WeakPolarHBondContact CG-O 3.42Å; Q58-A350 PolarHBondContact NE2-O 3.28Å; N276-A350 WeakPolarHBondContact ND2-CB 3.45Å; N276-A350 VanDerWaalsContact OD1-CB 3.3Å; N276-A350 WeakPolarHBondContact OD1-CB 3.25Å; N276-A350 PolarHBondContact OD1-N 3.24Å
351I96.9Very high95.3Very high34 Ų3440.4 Ų40.417%0.17419%0.194CC..THydrogen-bonded Turntrans-91.1-2.3176.856.9151.6000113.2T54 Q179 R183 C349T54-I351 HydrophobicContact CG2-CG2 4.03Å; Q179-I351 PolarHBondContact NE2-O 2.99Å; Q179-I351 PolarHBondContact OE1-O 3.23Å; R183-I351 HydrophobicContact CG-CG2 4.08Å; C349-I351 PolarHBondContact O-N 2.84Å; C349-I351 VanDerWaalsContact SG-CG1 3.53Å
352D97.6Very high95.5Very high73 Ų7343.3 Ų43.339%0.3921%0.21SC..  trans-102.3108.9172.9177-12.9000108.9C349 E354 N355 I356C349-D352 HydrophobicContact CB-CB 3.89Å; C349-D352 WeakPolarHBondContact O-CB 3.47Å; C349-D352 PolarHBondContact O-N 3Å; D352-E354 VanDerWaalsContact C-N 3.34Å; D352-E354 PolarHBondContact O-N 3.44Å; D352-E354 PolarHBondContact OD1-N 3.33Å; D352-N355 HydrophobicContact CB-CB 3.82Å; D352-N355 VanDerWaalsContact CG-CB 3.48Å; D352-N355 PolarHBondContact O-N 3.47Å; D352-N355 PolarHBondContact OD1-N 3.45Å; D352-N355 WeakPolarHBondContact OD2-CB 3.36Å; D352-I356 WeakPolarHBondContact O-CG1 3.37Å; D352-I356 PolarHBondContact O-N 2.78Å; D352-I356 VanDerWaalsContact O-N 3.12Å
353T96.8Very high95.6Very high32 Ų3239.8 Ų39.820%0.19620%0.197CC..Hα-helixtrans-64.4-36.1-175.7-620000112.8Q58 I61 L62 R357Q58-T353 PolarHBondContact NE2-OG1 2.81Å; Q58-T353 PolarHBondContact OE1-OG1 3.04Å; I61-T353 HydrophobicContact CG2-CG2 4.44Å; L62-T353 HydrophobicContact CD2-CG2 3.6Å; L62-T353 HydrophobicContact CG-CG2 4.18Å; T353-R357 WeakPolarHBondContact O-CB 3.3Å; T353-R357 PolarHBondContact O-N 3.12Å
354E96.4Very high95.3Very high109 Ų10941.2 Ų41.251%0.50920%0.199SC..Hα-helixtrans-77.7-35.7-179.2-70.3-54.8123.100111.6D352 I356 R357 R358D352-E354 VanDerWaalsContact C-N 3.34Å; D352-E354 PolarHBondContact O-N 3.44Å; D352-E354 PolarHBondContact OD1-N 3.33Å; E354-I356 VanDerWaalsContact C-N 3.35Å; E354-I356 PolarHBondContact O-N 3.31Å; E354-R357 PolarHBondContact O-N 3.42Å; E354-R357 IonicContact OE1-CZ 2.75Å; E354-R357 IonicContact OE1-NE 2.88Å; E354-R357 PolarHBondContact OE1-NE 2.98Å; E354-R357 IonicContact OE1-NH2 3.15Å; E354-R357 PolarHBondContact OE1-NH2 3.29Å; E354-R357 IonicContact OE2-NE 2.68Å; E354-R357 PolarHBondContact OE2-NE 2.86Å; E354-R357 VanDerWaalsContact OE2-NE 3.13Å; E354-R358 PolarHBondContact O-N 3.41Å
355N96.3Very high94.8Very high32 Ų3245.7 Ų45.717%0.17122%0.222CC..Hα-helixtrans-57.6-48.4170.2-178.4-93.9000111.3T348 C349 D352 R358 V359T348-N355 WeakPolarHBondContact CA-OD1 3.42Å; C349-N355 PolarHBondContact N-OD1 2.89Å; D352-N355 HydrophobicContact CB-CB 3.82Å; D352-N355 VanDerWaalsContact CG-CB 3.48Å; D352-N355 PolarHBondContact O-N 3.47Å; D352-N355 PolarHBondContact OD1-N 3.45Å; D352-N355 WeakPolarHBondContact OD2-CB 3.36Å; N355-R358 PolarHBondContact O-N 3.49Å; N355-V359 WeakPolarHBondContact O-CG2 3.34Å; N355-V359 PolarHBondContact O-N 3.45Å
356I97.3Very high94.4Very high1 Ų145.4 Ų45.41%0.00522%0.218CC..Hα-helixtrans-67.5-37.6178.9-65.5-52.6000112.2I55 Q58 M59 L62 T348 D352 E354 R358 F360I55-I356 HydrophobicContact CD1-CD1 3.43Å; I55-I356 VanDerWaalsContact CD1-CD1 3.43Å; I55-I356 HydrophobicContact CD1-CG1 4.06Å; Q58-I356 HydrophobicContact CB-CB 4.39Å; Q58-I356 HydrophobicContact CB-CG2 3.8Å; Q58-I356 HydrophobicContact CG-CB 4.29Å; Q58-I356 HydrophobicContact CG-CG1 4.15Å; Q58-I356 HydrophobicContact CG-CG2 4.18Å; M59-I356 HydrophobicContact CE-CG2 3.54Å; L62-I356 HydrophobicContact CD1-CG2 4.37Å; T348-I356 HydrophobicContact CG2-CD1 4.16Å; D352-I356 WeakPolarHBondContact O-CG1 3.37Å; D352-I356 PolarHBondContact O-N 2.78Å; D352-I356 VanDerWaalsContact O-N 3.12Å; E354-I356 VanDerWaalsContact C-N 3.35Å; E354-I356 PolarHBondContact O-N 3.31Å; I356-R358 PolarHBondContact O-N 3.36Å; I356-F360 WeakPolarHBondContact O-CB 3.46Å; I356-F360 PolarHBondContact O-N 3.34Å
357R95.3Very high94.1Very high94 Ų9444 Ų4436%0.35521%0.211SC..Hα-helixtrans-56.7-50.3173.2-173.6-164.9-59-79.7-1111.1L62 T353 E354 N361L62-R357 HydrophobicContact CD1-CB 4.26Å; L62-R357 HydrophobicContact CD2-CB 4.24Å; L62-R357 HydrophobicContact CD2-CG 4.44Å; L62-R357 VanDerWaalsContact CD2-NH2 3.28Å; T353-R357 WeakPolarHBondContact O-CB 3.3Å; T353-R357 PolarHBondContact O-N 3.12Å; E354-R357 PolarHBondContact O-N 3.42Å; E354-R357 IonicContact OE1-CZ 2.75Å; E354-R357 IonicContact OE1-NE 2.88Å; E354-R357 PolarHBondContact OE1-NE 2.98Å; E354-R357 IonicContact OE1-NH2 3.15Å; E354-R357 PolarHBondContact OE1-NH2 3.29Å; E354-R357 IonicContact OE2-NE 2.68Å; E354-R357 PolarHBondContact OE2-NE 2.86Å; E354-R357 VanDerWaalsContact OE2-NE 3.13Å; R357-N361 WeakPolarHBondContact O-CB 3.38Å; R357-N361 VanDerWaalsContact O-CG 3.3Å; R357-N361 PolarHBondContact O-N 3.16Å; R357-N361 VanDerWaalsContact O-N 3.08Å; R357-N361 PolarHBondContact O-ND2 2.91Å
358R94.5Very high93.7Very high132 Ų13245.2 Ų45.250%0.49822%0.217SC..Hα-helixtrans-61.7-53.5179.2-175-175.271.3142.3-2.2111.3E354 N355 I356 F360 N361 D362E354-R358 PolarHBondContact O-N 3.41Å; N355-R358 PolarHBondContact O-N 3.49Å; I356-R358 PolarHBondContact O-N 3.36Å; R358-F360 VanDerWaalsContact C-N 3.31Å; R358-F360 PolarHBondContact O-N 2.84Å; R358-N361 WeakPolarHBondContact O-CB 3.49Å; R358-N361 PolarHBondContact O-N 3.04Å; R358-N361 VanDerWaalsContact O-N 3.13Å; R358-D362 PolarHBondContact O-N 3.09Å
359V93.9Very high93.1Very high3 Ų352.4 Ų52.42%0.01825%0.245CC..Hα-helixtrans-62.7-40.1-176.4171.60000111.5F274 H346 T348 N355 N361 D362 C363F274-V359 HydrophobicContact CD1-CG1 4.34Å; F274-V359 HydrophobicContact CE1-CG1 3.55Å; F274-V359 HydrophobicContact CZ-CG1 3.74Å; H346-V359 HydrophobicContact CB-CG1 3.66Å; T348-V359 HydrophobicContact CG2-CB 4.26Å; T348-V359 HydrophobicContact CG2-CG1 3.77Å; T348-V359 HydrophobicContact CG2-CG2 4.14Å; N355-V359 WeakPolarHBondContact O-CG2 3.34Å; N355-V359 PolarHBondContact O-N 3.45Å; V359-N361 VanDerWaalsContact C-N 3.35Å; V359-D362 PolarHBondContact O-N 3.21Å; V359-C363 PolarHBondContact O-N 2.99Å; V359-C363 PolarHBondContact O-SG 3.11Å
360F93.4Very high92.6Very high3 Ų352.3 Ų52.31%0.01324%0.243CC..Hα-helixtrans-64-42.3176.5-170.5-100.6000111.1L42 M59 F196 V198 F203 I356 R358 D362 C363 R364L42-F360 HydrophobicContact CD1-CE2 4.09Å; L42-F360 HydrophobicContact CD1-CZ 4.42Å; M59-F360 HydrophobicContact CE-CB 4.25Å; M59-F360 HydrophobicContact CE-CD2 3.93Å; M59-F360 HydrophobicContact CE-CG 4.05Å; M59-F360 HydrophobicContact SD-CD1 4.39Å; M59-F360 HydrophobicContact SD-CD2 3.93Å; M59-F360 HydrophobicContact SD-CE1 4.4Å; M59-F360 HydrophobicContact SD-CE2 3.94Å; M59-F360 HydrophobicContact SD-CG 4.17Å; M59-F360 HydrophobicContact SD-CZ 4.18Å; F196-F360 HydrophobicContact CE2-CE1 4.02Å; F196-F360 AromaticContact CE2-CZ 3.79Å; F196-F360 HydrophobicContact CE2-CZ 3.79Å; F196-F360 HydrophobicContact CZ-CE1 4.47Å; F196-F360 HydrophobicContact CZ-CE2 4.35Å; F196-F360 AromaticContact CZ-CZ 3.8Å; F196-F360 HydrophobicContact CZ-CZ 3.8Å; V198-F360 HydrophobicContact CG2-CE1 4.33Å; F203-F360 HydrophobicContact CD1-CZ 4.05Å; F203-F360 AromaticContact CE1-CZ 3.95Å; F203-F360 HydrophobicContact CE1-CZ 3.95Å; F203-F360 HydrophobicContact CG-CZ 4.39Å; F203-F360 HydrophobicContact CZ-CE1 4.42Å; F203-F360 HydrophobicContact CZ-CZ 4.22Å; I356-F360 WeakPolarHBondContact O-CB 3.46Å; I356-F360 PolarHBondContact O-N 3.34Å; R358-F360 VanDerWaalsContact C-N 3.31Å; R358-F360 PolarHBondContact O-N 2.84Å; F360-D362 PolarHBondContact O-N 2.83Å; F360-C363 WeakPolarHBondContact O-CB 3.4Å; F360-C363 PolarHBondContact O-N 3.18Å; F360-C363 VanDerWaalsContact O-N 3.12Å; F360-R364 HydrophobicContact CD1-CG 4.29Å; F360-R364 HydrophobicContact CE1-CG 4.16Å; F360-R364 WeakPolarHBondContact O-CG 3.42Å; F360-R364 PolarHBondContact O-N 3.32Å; F360-R364 VanDerWaalsContact O-N 3.15Å
361N91.8Very high92.1Very high66 Ų6652.7 Ų52.735%0.35324%0.244SC..Hα-helixtrans-59-44.1174.7-76.3-26.6000112.5R357 R358 V359 C363 R364R357-N361 WeakPolarHBondContact O-CB 3.38Å; R357-N361 VanDerWaalsContact O-CG 3.3Å; R357-N361 PolarHBondContact O-N 3.16Å; R357-N361 VanDerWaalsContact O-N 3.08Å; R357-N361 PolarHBondContact O-ND2 2.91Å; R358-N361 WeakPolarHBondContact O-CB 3.49Å; R358-N361 PolarHBondContact O-N 3.04Å; R358-N361 VanDerWaalsContact O-N 3.13Å; V359-N361 VanDerWaalsContact C-N 3.35Å; N361-C363 PolarHBondContact O-N 3Å; N361-R364 WeakPolarHBondContact O-CB 3.29Å; N361-R364 PolarHBondContact O-N 3.44Å; N361-R364 VanDerWaalsContact O-N 3.07Å
362D90Very high91.7Very high85 Ų8553.4 Ų53.446%0.45525%0.248SC..Hα-helixtrans-61.1-34.5176.1-61.8-20.1000111.8R358 V359 F360 R364R358-D362 PolarHBondContact O-N 3.09Å; V359-D362 PolarHBondContact O-N 3.21Å; F360-D362 PolarHBondContact O-N 2.83Å; D362-R364 VanDerWaalsContact C-N 3.32Å; D362-R364 PolarHBondContact O-N 3.12Å
363C92.4Very high91.1Very high2 Ų256.7 Ų56.71%0.01426%0.255CS..Hα-helixtrans-73.6-20177.6-66.70000113.5I272 V359 F360 N361 D365 I366 I367I272-C363 HydrophobicContact CD1-CB 4.11Å; I272-C363 VanDerWaalsContact CG2-SG 3.59Å; V359-C363 PolarHBondContact O-N 2.99Å; V359-C363 PolarHBondContact O-SG 3.11Å; F360-C363 WeakPolarHBondContact O-CB 3.4Å; F360-C363 PolarHBondContact O-N 3.18Å; F360-C363 VanDerWaalsContact O-N 3.12Å; N361-C363 PolarHBondContact O-N 3Å; C363-D365 PolarHBondContact O-N 2.87Å; C363-I366 WeakPolarHBondContact O-CB 3.23Å; C363-I366 PolarHBondContact O-N 3.45Å; C363-I367 HydrophobicContact CB-CD1 4.03Å; C363-I367 WeakPolarHBondContact O-CB 3.44Å; C363-I367 VanDerWaalsContact O-CG1 3.25Å; C363-I367 WeakPolarHBondContact O-CG1 3.4Å; C363-I367 PolarHBondContact O-N 3.27Å
364R88.6Confident90.6Very high50 Ų5058.4 Ų58.419%0.18926%0.261CS..Hα-helixtrans-62.6-45.7-172.2-75.8174.966.7-165.9-2.9112.7D199 F360 N361 D362 I366 I367 Q368D199-R364 IonicContact OD2-CZ 2.75Å; D199-R364 IonicContact OD2-NH1 2.97Å; D199-R364 PolarHBondContact OD2-NH1 3.49Å; D199-R364 IonicContact OD2-NH2 3.08Å; D199-R364 PolarHBondContact OD2-NH2 3.18Å; F360-R364 HydrophobicContact CD1-CG 4.29Å; F360-R364 HydrophobicContact CE1-CG 4.16Å; F360-R364 WeakPolarHBondContact O-CG 3.42Å; F360-R364 PolarHBondContact O-N 3.32Å; F360-R364 VanDerWaalsContact O-N 3.15Å; N361-R364 WeakPolarHBondContact O-CB 3.29Å; N361-R364 PolarHBondContact O-N 3.44Å; N361-R364 VanDerWaalsContact O-N 3.07Å; D362-R364 VanDerWaalsContact C-N 3.32Å; D362-R364 PolarHBondContact O-N 3.12Å; R364-I366 PolarHBondContact O-N 3.32Å; R364-I367 PolarHBondContact O-N 3.43Å; R364-Q368 WeakPolarHBondContact O-CB 3.4Å; R364-Q368 PolarHBondContact O-N 2.9Å
365D84.7Confident90Very high115 Ų11556.4 Ų56.462%0.61525%0.249SC*.Hα-helixtrans-62.4-37.4178.7-75.3-8.7000111.4C363 R369C363-D365 PolarHBondContact O-N 2.87Å; D365-R369 VanDerWaalsContact O-CG 3.29Å; D365-R369 WeakPolarHBondContact O-CG 3.49Å; D365-R369 PolarHBondContact O-N 2.88Å
366I87.8Confident89.5Confident34 Ų3463.4 Ų63.417%0.17428%0.281CS..Hα-helixtrans-64.8-50.9176.8-51.9-177.5000109.6Y342 S344 C363 R364 Q368 R369 M370Y342-I366 HydrophobicContact CE2-CG2 3.54Å; Y342-I366 WeakPolarHBondContact OH-CG2 3.38Å; S344-I366 WeakPolarHBondContact OG-CD1 3.44Å; C363-I366 WeakPolarHBondContact O-CB 3.23Å; C363-I366 PolarHBondContact O-N 3.45Å; R364-I366 PolarHBondContact O-N 3.32Å; I366-Q368 VanDerWaalsContact C-N 3.34Å; I366-Q368 PolarHBondContact O-N 2.9Å; I366-R369 PolarHBondContact O-N 2.91Å; I366-M370 HydrophobicContact CG2-CE 3.55Å; I366-M370 HydrophobicContact CG2-SD 4.43Å; I366-M370 VanDerWaalsContact O-CG 3.28Å; I366-M370 WeakPolarHBondContact O-CG 3.4Å; I366-M370 PolarHBondContact O-N 2.93Å
367I90.6Very high88.6Confident1 Ų169.1 Ų69.11%0.00531%0.311CS..Hα-helixtrans-61.1-42.8180-69.7163.8000111.1H40 L42 F203 T226 I272 C363 R364 R369 M370 H371H40-I367 HydrophobicContact CB-CG2 4.05Å; H40-I367 VanDerWaalsContact CD2-CG2 3.47Å; H40-I367 WeakPolarHBondContact CD2-CG2 3.22Å; L42-I367 HydrophobicContact CD1-CD1 4.23Å; L42-I367 HydrophobicContact CD2-CD1 4.02Å; L42-I367 HydrophobicContact CD2-CG1 4.23Å; L42-I367 HydrophobicContact CD2-CG2 4.14Å; F203-I367 HydrophobicContact CE1-CG2 4.03Å; T226-I367 HydrophobicContact CG2-CG2 4.29Å; I272-I367 HydrophobicContact CD1-CD1 3.82Å; I272-I367 HydrophobicContact CD1-CG1 3.53Å; C363-I367 HydrophobicContact CB-CD1 4.03Å; C363-I367 WeakPolarHBondContact O-CB 3.44Å; C363-I367 VanDerWaalsContact O-CG1 3.25Å; C363-I367 WeakPolarHBondContact O-CG1 3.4Å; C363-I367 PolarHBondContact O-N 3.27Å; R364-I367 PolarHBondContact O-N 3.43Å; I367-R369 PolarHBondContact O-N 3.4Å; I367-M370 PolarHBondContact O-N 2.59Å; I367-H371 WeakPolarHBondContact O-CB 3.49Å; I367-H371 PolarHBondContact O-N 3.5Å
368Q89.3Confident87.6Confident65 Ų6571.3 Ų71.330%0.30433%0.329SS..Hα-helixtrans-62.2-44.2178-17465.848.800111.2H40 R364 I366 H371 L372H40-Q368 PolarHBondContact CE1-OE1 2.88Å; H40-Q368 PolarHBondContact NE2-OE1 3.28Å; R364-Q368 WeakPolarHBondContact O-CB 3.4Å; R364-Q368 PolarHBondContact O-N 2.9Å; I366-Q368 VanDerWaalsContact C-N 3.34Å; I366-Q368 PolarHBondContact O-N 2.9Å; Q368-H371 WeakPolarHBondContact O-CB 3.36Å; Q368-H371 PolarHBondContact O-N 2.93Å; Q368-L372 HydrophobicContact CG-CD1 4.43Å; Q368-L372 WeakPolarHBondContact O-CG 3.47Å; Q368-L372 PolarHBondContact O-N 3.25Å
369R86.5Confident87.3Confident151 Ų15168.3 Ų68.357%0.5732%0.32SS*.Hα-helixtrans-65.8-40.9176.2-72176-171.3-174.25.2112.3D365 I366 I367 H371 L372 R373 L378D365-R369 VanDerWaalsContact O-CG 3.29Å; D365-R369 WeakPolarHBondContact O-CG 3.49Å; D365-R369 PolarHBondContact O-N 2.88Å; I366-R369 PolarHBondContact O-N 2.91Å; I367-R369 PolarHBondContact O-N 3.4Å; R369-H371 VanDerWaalsContact C-N 3.29Å; R369-H371 PolarHBondContact O-N 3.3Å; R369-L372 PolarHBondContact O-N 2.8Å; R369-R373 WeakPolarHBondContact O-CG 3.49Å; R369-R373 PolarHBondContact O-N 2.99Å; R369-L378 HydrophobicContact CB-CD1 4.29Å; R369-L378 HydrophobicContact CG-CD1 4.31Å
370M87.4Confident86.9Confident13 Ų1371.7 Ų71.76%0.06434%0.336CS..Hα-helixtrans-58-45.1174.5-69.8174.8-179.200110.8T226 A227 I272 Y342 I366 I367 R373 Q374T226-M370 HydrophobicContact CG2-CB 4.33Å; A227-M370 HydrophobicContact CB-SD 3.5Å; A227-M370 WeakPolarHBondContact CB-SD 3.41Å; I272-M370 HydrophobicContact CG1-CE 4.22Å; Y342-M370 HydrophobicContact CD2-CE 4.42Å; Y342-M370 HydrophobicContact CE1-CE 4.3Å; Y342-M370 HydrophobicContact CE1-CG 4.48Å; Y342-M370 HydrophobicContact CE2-CE 3.56Å; Y342-M370 VanDerWaalsContact CZ-CE 3.49Å; Y342-M370 WeakPolarHBondContact OH-CE 3.5Å; Y342-M370 VanDerWaalsContact OH-CG 3.3Å; Y342-M370 WeakPolarHBondContact OH-CG 3.46Å; I366-M370 HydrophobicContact CG2-CE 3.55Å; I366-M370 HydrophobicContact CG2-SD 4.43Å; I366-M370 VanDerWaalsContact O-CG 3.28Å; I366-M370 WeakPolarHBondContact O-CG 3.4Å; I366-M370 PolarHBondContact O-N 2.93Å; I367-M370 PolarHBondContact O-N 2.59Å; M370-R373 PolarHBondContact O-N 3.37Å; M370-Q374 PolarHBondContact O-N 3.37Å; M370-Q374 VanDerWaalsContact O-N 3.1Å
371H87.7Confident86.6Confident12 Ų1275.6 Ų75.66%0.05635%0.354CS..Hα-helixtrans-63.4-46.2178.8-169.583.1000112.7K37 H40 T226 I367 Q368 R369 R373 Q374 Y375K37-H371 PolarHBondContact O-CE1 2.93Å; K37-H371 PolarHBondContact O-NE2 2.97Å; H40-H371 VanDerWaalsContact CD2-CB 3.42Å; H40-H371 WeakPolarHBondContact CD2-CB 3.18Å; H40-H371 AromaticContact CD2-CG 3.56Å; H40-H371 AromaticContact CD2-ND1 3.78Å; H40-H371 AromaticContact CE1-CD2 3.86Å; H40-H371 AromaticContact CE1-CG 3.94Å; H40-H371 VanDerWaalsContact NE2-CB 3.3Å; H40-H371 WeakPolarHBondContact NE2-CB 3.38Å; H40-H371 AromaticContact NE2-CD2 3.62Å; H40-H371 AromaticContact NE2-CG 3.36Å; H40-H371 AromaticContact NE2-ND1 3.95Å; T226-H371 HydrophobicContact CG2-CB 3.63Å; T226-H371 PolarHBondContact OG1-ND1 2.66Å; I367-H371 WeakPolarHBondContact O-CB 3.49Å; I367-H371 PolarHBondContact O-N 3.5Å; Q368-H371 WeakPolarHBondContact O-CB 3.36Å; Q368-H371 PolarHBondContact O-N 2.93Å; R369-H371 VanDerWaalsContact C-N 3.29Å; R369-H371 PolarHBondContact O-N 3.3Å; H371-R373 PolarHBondContact O-N 3.21Å; H371-Q374 WeakPolarHBondContact O-CB 3.32Å; H371-Q374 PolarHBondContact O-N 2.98Å; H371-Y375 AromaticContact CE1-CE2 3.56Å; H371-Y375 AromaticContact NE2-CD2 3.93Å; H371-Y375 AromaticContact NE2-CE2 3.63Å; H371-Y375 WeakPolarHBondContact O-CD2 3.3Å; H371-Y375 PolarHBondContact O-N 3.42Å
372L87.4Confident86.3Confident49 Ų4976.1 Ų76.126%0.25735%0.354SS..Hα-helixtrans-62.8-40.9178.5-69.2173.1000112.3Q368 R369 Q374 Y375 E376 L377 L378Q368-L372 HydrophobicContact CG-CD1 4.43Å; Q368-L372 WeakPolarHBondContact O-CG 3.47Å; Q368-L372 PolarHBondContact O-N 3.25Å; R369-L372 PolarHBondContact O-N 2.8Å; L372-Q374 VanDerWaalsContact C-N 3.33Å; L372-Q374 PolarHBondContact O-N 3.39Å; L372-Y375 CarbonylContact O-C 3.53Å; L372-Y375 PolarHBondContact O-N 3.42Å; L372-E376 PolarHBondContact O-N 3.4Å; L372-L377 HydrophobicContact CB-CB 4.29Å; L372-L377 HydrophobicContact CD2-CB 4.12Å; L372-L377 HydrophobicContact CD2-CD1 3.8Å; L372-L377 WeakPolarHBondContact O-CB 3.19Å; L372-L377 PolarHBondContact O-N 3.01Å; L372-L378 HydrophobicContact CB-CD1 3.69Å; L372-L378 HydrophobicContact CB-CG 3.81Å; L372-L378 HydrophobicContact CD1-CD1 4.04Å; L372-L378 HydrophobicContact CD1-CG 4.28Å
373R85.8Confident86Confident142 Ų14275.6 Ų75.654%0.53635%0.348SS..Hα-helixtrans-61.7-39174.5-75.6179.1-179.4175.10.9112.5R369 M370 H371 Y375 E376 L378R369-R373 WeakPolarHBondContact O-CG 3.49Å; R369-R373 PolarHBondContact O-N 2.99Å; M370-R373 PolarHBondContact O-N 3.37Å; H371-R373 PolarHBondContact O-N 3.21Å; R373-Y375 PolarHBondContact O-N 3.25Å; R373-E376 PolarHBondContact O-N 3.31Å; R373-L378 HydrophobicContact CG-CB 3.89Å; R373-L378 HydrophobicContact CG-CD1 4.29Å
374Q85Confident85.6Confident68 Ų6880.5 Ų80.532%0.31837%0.37SS..Hα-helixtrans-61.7-25.9178.5-171.21785.400112.7M370 H371 L372M370-Q374 PolarHBondContact O-N 3.37Å; M370-Q374 VanDerWaalsContact O-N 3.1Å; H371-Q374 WeakPolarHBondContact O-CB 3.32Å; H371-Q374 PolarHBondContact O-N 2.98Å; L372-Q374 VanDerWaalsContact C-N 3.33Å; L372-Q374 PolarHBondContact O-N 3.39Å
375Y85.2Confident85.4Confident66 Ų6682.6 Ų82.626%0.25938%0.383SS..THydrogen-bonded Turntrans-102.314.2176.7-71.6-72.9000113.8K37 H371 L372 R373 L377K37-Y375 HydrophobicContact CD-CE1 4.21Å; K37-Y375 HydrophobicContact CG-CE1 3.91Å; H371-Y375 AromaticContact CE1-CE2 3.56Å; H371-Y375 AromaticContact NE2-CD2 3.93Å; H371-Y375 AromaticContact NE2-CE2 3.63Å; H371-Y375 WeakPolarHBondContact O-CD2 3.3Å; H371-Y375 PolarHBondContact O-N 3.42Å; L372-Y375 CarbonylContact O-C 3.53Å; L372-Y375 PolarHBondContact O-N 3.42Å; R373-Y375 PolarHBondContact O-N 3.25Å; Y375-L377 PolarHBondContact O-N 3.19Å
376E83.9Confident85.4Confident180 Ų18080.2 Ų80.284%0.84137%0.365SS*.THydrogen-bonded Turntrans56.533.7-179.7-56.4-179.116600113L372 R373L372-E376 PolarHBondContact O-N 3.4Å; R373-E376 PolarHBondContact O-N 3.31Å
377L78.5Confident85.2Confident121 Ų12184 Ų8463%0.63438%0.381SS*.  trans-96.3-4.2177.7-58.7177.2000113.1L372 Y375L372-L377 HydrophobicContact CB-CB 4.29Å; L372-L377 HydrophobicContact CD2-CB 4.12Å; L372-L377 HydrophobicContact CD2-CD1 3.8Å; L372-L377 WeakPolarHBondContact O-CB 3.19Å; L372-L377 PolarHBondContact O-N 3.01Å; Y375-L377 PolarHBondContact O-N 3.19Å
378L75.5Confident84.7Confident140 Ų14091.5 Ų91.573%0.73342%0.415SS*.  trans-138.30173.4-73177.2000107.9R369 L372 R373R369-L378 HydrophobicContact CB-CD1 4.29Å; R369-L378 HydrophobicContact CG-CD1 4.31Å; L372-L378 HydrophobicContact CB-CD1 3.69Å; L372-L378 HydrophobicContact CB-CG 3.81Å; L372-L378 HydrophobicContact CD1-CD1 4.04Å; L372-L378 HydrophobicContact CD1-CG 4.28Å; R373-L378 HydrophobicContact CG-CB 3.89Å; R373-L378 HydrophobicContact CG-CD1 4.29Å

Retrieved 378 of 378 residues in 619.8 ms (Link to these results)

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