G4VF10_SCHMA Loading...

ubiquitinyl hydrolase 1

AlphaFold DB , UniProt , Accession G4VF10, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 937 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
1M38.7Very low70Confident240 Ų24098.6 Ų98.6100%1.18259%0.59SS**  0130.50-62.3-177.1-172.200106.5
2D42.2Very low71.4Confident166 Ų16692.5 Ų92.589%0.88856%0.555SS**  trans-62.1143.8-178.4-82.9-57.9000112.4G4D2-G4 VanDerWaalsContact C-N 3.31Å; D2-G4 PolarHBondContact O-N 3.31Å
3V46.9Very low72.5Confident132 Ų13294.2 Ų94.280%0.857%0.566SS**  trans-77.587.3176.8-177.80000107.6S5V3-S5 PolarHBondContact O-N 3.16Å
4G58.5Low73.5Confident42 Ų4294.1 Ų94.143%0.43355%0.552SS.*PPolyproline II helixtrans-47.4126.1-17000000114.4D2 K6 P18D2-G4 VanDerWaalsContact C-N 3.31Å; D2-G4 PolarHBondContact O-N 3.31Å; G4-K6 PolarHBondContact O-N 3.32Å; G4-P18 VanDerWaalsContact O-CG 3.24Å; G4-P18 WeakPolarHBondContact O-CG 3.36Å
5S66.4Low74.6Confident106 Ų10693.9 Ų93.974%0.74155%0.547SS*.PPolyproline II helixtrans-55.4122-172.9-50.20000112.9V3 P18V3-S5 PolarHBondContact O-N 3.16Å; S5-P18 WeakPolarHBondContact O-CG 3.43Å
6K86.7Confident75.4Confident93 Ų9388.1 Ų88.140%0.40451%0.513SS..PPolyproline II helixtrans-60.7150170.9-65.5-175.4-176.6-179.30110.6G4 D15 N16 W17G4-K6 PolarHBondContact O-N 3.32Å; K6-D15 HydrophobicContact CB-CB 3.97Å; K6-D15 HydrophobicContact CD-CB 3.8Å; K6-N16 CarbonylContact C-O 3.52Å; K6-N16 WeakPolarHBondContact CA-O 3.26Å; K6-N16 WeakPolarHBondContact CB-O 3.49Å; K6-W17 HydrophobicContact CG-CE3 4.18Å
7W87.8Confident76Confident24 Ų2491.8 Ų91.89%0.09152%0.517CS..EExtended strand (participates in β ladder)trans-104.4124.2175.265.9-86.1000110.3C9 N16 W17 A20 R30W7-C9 HydrophobicContact CZ3-CB 4.03Å; W7-N16 HydrophobicContact CD2-CB 3.81Å; W7-N16 HydrophobicContact CE3-CB 4.49Å; W7-N16 HydrophobicContact CG-CB 4.17Å; W7-N16 HydrophobicContact CH2-CB 4.29Å; W7-N16 HydrophobicContact CZ2-CB 3.56Å; W7-N16 PolarHBondContact N-O 2.91Å; W7-N16 PolarHBondContact O-N 3.03Å; W7-W17 PolarHBondContact NE1-O 3.14Å; W7-W17 VanDerWaalsContact NE1-O 3.14Å; W7-A20 HydrophobicContact CZ2-CB 4.3Å; W7-A20 VanDerWaalsContact CZ2-O 3.3Å; W7-A20 WeakPolarHBondContact CZ2-O 3.33Å; W7-A20 PolarHBondContact NE1-O 3.22Å; W7-R30 VanDerWaalsContact CD1-CZ 3.41Å; W7-R30 HydrophobicContact CD2-CB 4.36Å; W7-R30 HydrophobicContact CD2-CG 3.71Å; W7-R30 HydrophobicContact CE3-CB 4.33Å; W7-R30 HydrophobicContact CE3-CG 3.82Å; W7-R30 HydrophobicContact CG-CG 4.34Å; W7-R30 HydrophobicContact CH2-CB 3.58Å; W7-R30 HydrophobicContact CH2-CG 3.99Å; W7-R30 HydrophobicContact CZ2-CB 3.59Å; W7-R30 HydrophobicContact CZ2-CG 3.89Å; W7-R30 HydrophobicContact CZ3-CB 3.95Å; W7-R30 HydrophobicContact CZ3-CG 3.94Å
8P90.7Very high76.3Confident84 Ų8489.7 Ų89.755%0.54551%0.508SS..EExtended strand (participates in β ladder)trans-72.3138.7172.830.9-34.1000109.1
9C86.7Confident76.5Confident5 Ų587.3 Ų87.33%0.03450%0.5CS..  trans-75.7138.2173.8179.10000112.2W7 V11 C12 T13 Y14 C23W7-C9 HydrophobicContact CZ3-CB 4.03Å; C9-V11 PolarHBondContact O-N 3.34Å; C9-V11 PolarHBondContact SG-N 3.38Å; C9-C12 HydrophobicContact CB-CB 4.39Å; C9-C12 WeakPolarHBondContact CB-SG 3.43Å; C9-C12 PolarHBondContact SG-SG 2.81Å; C9-T13 VanDerWaalsContact O-CA 3.23Å; C9-T13 WeakPolarHBondContact O-CA 3.29Å; C9-T13 PolarHBondContact O-N 3.43Å; C9-Y14 PolarHBondContact N-O 2.93Å; C9-Y14 VanDerWaalsContact N-O 3.1Å; C9-C23 HydrophobicContact CB-CB 3.75Å; C9-C23 VanDerWaalsContact SG-CB 3.51Å
10A82.8Confident76.7Confident90 Ų9083.7 Ų83.774%0.74448%0.481SS*.THydrogen-bonded Turntrans-59.1-24.7175.100000114.8
11V82.8Confident77.1Confident103 Ų10386.1 Ų86.162%0.62449%0.486SS*.THydrogen-bonded Turntrans-103.8-57.6-179.2175.40000111.6C9 T28C9-V11 PolarHBondContact O-N 3.34Å; C9-V11 PolarHBondContact SG-N 3.38Å; V11-T28 HydrophobicContact CB-CG2 4.26Å; V11-T28 HydrophobicContact CG2-CG2 3.78Å
12C86.6Confident79.6Confident25 Ų2580.9 Ų80.917%0.16946%0.457CS..THydrogen-bonded Turntrans-87.2-3.7-172.2700000114.7C9 Y14 C23 L25 C26C9-C12 HydrophobicContact CB-CB 4.39Å; C9-C12 WeakPolarHBondContact CB-SG 3.43Å; C9-C12 PolarHBondContact SG-SG 2.81Å; C12-Y14 PolarHBondContact O-N 2.99Å; C12-Y14 WeakPolarHBondContact SG-CB 3.24Å; C12-C23 WeakPolarHBondContact CB-SG 3.29Å; C12-C23 WeakPolarHBondContact SG-CB 3.44Å; C12-C23 CovalentContact SG-SG 2.06Å; C12-C23 PolarHBondContact SG-SG 3.3Å; C12-L25 HydrophobicContact CB-CB 4.42Å; C12-L25 HydrophobicContact CB-CD2 4.44Å; C12-C26 HydrophobicContact CB-CB 3.76Å; C12-C26 WeakPolarHBondContact CB-SG 3.36Å; C12-C26 VanDerWaalsContact SG-SG 3.7Å
13T85.8Confident81.7Confident114 Ų11473 Ų7370%0.69942%0.415SS*.  trans49.5-1.4-169.1660000117.3C9 D15C9-T13 VanDerWaalsContact O-CA 3.23Å; C9-T13 WeakPolarHBondContact O-CA 3.29Å; C9-T13 PolarHBondContact O-N 3.43Å; T13-D15 PolarHBondContact O-N 2.85Å
14Y86.4Confident83.6Confident94 Ų9470.8 Ų70.837%0.36940%0.402SS..  trans-62131.6179.3-173.3-91.8000111.9C9 C12 N16 L25C9-Y14 PolarHBondContact N-O 2.93Å; C9-Y14 VanDerWaalsContact N-O 3.1Å; C12-Y14 PolarHBondContact O-N 2.99Å; C12-Y14 WeakPolarHBondContact SG-CB 3.24Å; Y14-N16 WeakPolarHBondContact CD1-OD1 3.42Å; Y14-N16 PolarHBondContact O-N 3Å; Y14-N16 VanDerWaalsContact O-N 3.16Å; Y14-N16 PolarHBondContact O-ND2 2.97Å; Y14-L25 HydrophobicContact CD2-CB 4.23Å; Y14-L25 HydrophobicContact CD2-CD2 4.05Å; Y14-L25 HydrophobicContact CG-CB 4.11Å; Y14-L25 HydrophobicContact CG-CD2 4.44Å
15D89.8Confident84.7Confident91 Ų9174.2 Ų74.249%0.48741%0.409SS..EExtended strand (participates in β ladder)trans-73.699.2174.8-79.3-39.2000111.7K6 T13K6-D15 HydrophobicContact CB-CB 3.97Å; K6-D15 HydrophobicContact CD-CB 3.8Å; T13-D15 PolarHBondContact O-N 2.85Å
16N88.2Confident85.6Confident0 Ų072 Ų720%039%0.393CS..EExtended strand (participates in β ladder)trans-85.3146.4178.3-65.1-73.1000111.3K6 W7 Y14 A20 C23 T24K6-N16 CarbonylContact C-O 3.52Å; K6-N16 WeakPolarHBondContact CA-O 3.26Å; K6-N16 WeakPolarHBondContact CB-O 3.49Å; W7-N16 HydrophobicContact CD2-CB 3.81Å; W7-N16 HydrophobicContact CE3-CB 4.49Å; W7-N16 HydrophobicContact CG-CB 4.17Å; W7-N16 HydrophobicContact CH2-CB 4.29Å; W7-N16 HydrophobicContact CZ2-CB 3.56Å; W7-N16 PolarHBondContact N-O 2.91Å; W7-N16 PolarHBondContact O-N 3.03Å; Y14-N16 WeakPolarHBondContact CD1-OD1 3.42Å; Y14-N16 PolarHBondContact O-N 3Å; Y14-N16 VanDerWaalsContact O-N 3.16Å; Y14-N16 PolarHBondContact O-ND2 2.97Å; N16-A20 HydrophobicContact CB-CB 4.09Å; N16-C23 WeakPolarHBondContact OD1-CA 3.37Å; N16-T24 PolarHBondContact OD1-N 2.99Å; N16-T24 PolarHBondContact OD1-OG1 2.88Å
17W85.5Confident85.6Confident152 Ų15269.5 Ų69.558%0.57639%0.394SS*.  trans-62.2150.4174.7-69.5106000111.7K6 W7 A19 A20K6-W17 HydrophobicContact CG-CE3 4.18Å; W7-W17 PolarHBondContact NE1-O 3.14Å; W7-W17 VanDerWaalsContact NE1-O 3.14Å; W17-A19 PolarHBondContact O-N 2.91Å; W17-A20 WeakPolarHBondContact O-CB 3.48Å; W17-A20 PolarHBondContact O-N 3.17Å
18P81Confident85.5Confident54 Ų5470.1 Ų70.135%0.35140%0.401SS..THydrogen-bonded Turntrans-53.5-24.7-179.8-24.830.1000115.1G4 S5 R30G4-P18 VanDerWaalsContact O-CG 3.24Å; G4-P18 WeakPolarHBondContact O-CG 3.36Å; S5-P18 WeakPolarHBondContact O-CG 3.43Å; P18-R30 PolarHBondContact O-NH1 3.11Å
19A80.9Confident85.3Confident44 Ų4470.7 Ų70.736%0.36440%0.404SS..THydrogen-bonded Turntrans-87.6-5.9178.900000114.7W17 F21W17-A19 PolarHBondContact O-N 2.91Å; A19-F21 WeakPolarHBondContact O-CE1 3.4Å; A19-F21 WeakPolarHBondContact O-CZ 3.21Å
20A79.8Confident85Confident14 Ų1474.3 Ų74.312%0.11642%0.417CS..  trans-82.3125.3179.700000110.9W7 N16 W17 K22W7-A20 HydrophobicContact CZ2-CB 4.3Å; W7-A20 VanDerWaalsContact CZ2-O 3.3Å; W7-A20 WeakPolarHBondContact CZ2-O 3.33Å; W7-A20 PolarHBondContact NE1-O 3.22Å; N16-A20 HydrophobicContact CB-CB 4.09Å; W17-A20 WeakPolarHBondContact O-CB 3.48Å; W17-A20 PolarHBondContact O-N 3.17Å; A20-K22 VanDerWaalsContact C-N 3.34Å
21F85.8Confident84.1Confident135 Ų13575 Ų7559%0.59242%0.416SS*.SBendtrans-85.1-8178.9-28.6-73.7000113.2A19 R30 T73A19-F21 WeakPolarHBondContact O-CE1 3.4Å; A19-F21 WeakPolarHBondContact O-CZ 3.21Å; F21-R30 WeakPolarHBondContact O-CB 3.17Å; F21-R30 PolarHBondContact O-N 2.74Å; F21-T73 HydrophobicContact CE2-CG2 3.8Å; F21-T73 HydrophobicContact CZ-CG2 3.76Å
22K89.8Confident82.6Confident130 Ų13072.5 Ų72.557%0.56540%0.404SS*.BIsolated β-bridgetrans-152.5159.2179.461.2-178.1178.6-177.90111.3A20 T24 G27 T28A20-K22 VanDerWaalsContact C-N 3.34Å; K22-T24 PolarHBondContact O-N 3.49Å; K22-G27 WeakPolarHBondContact CB-O 3.38Å; K22-T28 CarbonylContact C-O 3.47Å; K22-T28 VanDerWaalsContact CA-O 3.24Å; K22-T28 WeakPolarHBondContact CA-O 3.39Å; K22-T28 WeakPolarHBondContact CB-O 3.44Å
23C87.3Confident80.4Confident2 Ų278.2 Ų78.21%0.01444%0.438CS..  trans-62.2122.3176.9169.80000109.7C9 C12 N16 L25 C26 G27 T28C9-C23 HydrophobicContact CB-CB 3.75Å; C9-C23 VanDerWaalsContact SG-CB 3.51Å; C12-C23 WeakPolarHBondContact CB-SG 3.29Å; C12-C23 WeakPolarHBondContact SG-CB 3.44Å; C12-C23 CovalentContact SG-SG 2.06Å; C12-C23 PolarHBondContact SG-SG 3.3Å; N16-C23 WeakPolarHBondContact OD1-CA 3.37Å; C23-L25 PolarHBondContact O-N 3.22Å; C23-L25 VanDerWaalsContact O-N 3.14Å; C23-L25 VanDerWaalsContact SG-CB 3.54Å; C23-L25 PolarHBondContact SG-N 2.86Å; C23-C26 WeakPolarHBondContact CB-SG 3.3Å; C23-C26 PolarHBondContact O-N 3.31Å; C23-C26 PolarHBondContact SG-N 3.36Å; C23-C26 PolarHBondContact SG-SG 3.02Å; C23-G27 WeakPolarHBondContact O-CA 3.36Å; C23-G27 PolarHBondContact O-N 3.17Å; C23-T28 PolarHBondContact N-O 2.82Å
24T86.6Confident78.5Confident84 Ų8478.2 Ų78.252%0.51543%0.433SS..THydrogen-bonded Turntrans-62.2-21.3178.1-35.50000112.2N16 K22N16-T24 PolarHBondContact OD1-N 2.99Å; N16-T24 PolarHBondContact OD1-OG1 2.88Å; K22-T24 PolarHBondContact O-N 3.49Å
25L81.8Confident76.4Confident114 Ų11477 Ų7760%0.59743%0.432SS*.THydrogen-bonded Turntrans-94.9-35.6-177.1-162.470.6000114.4C12 Y14 C23C12-L25 HydrophobicContact CB-CB 4.42Å; C12-L25 HydrophobicContact CB-CD2 4.44Å; Y14-L25 HydrophobicContact CD2-CB 4.23Å; Y14-L25 HydrophobicContact CD2-CD2 4.05Å; Y14-L25 HydrophobicContact CG-CB 4.11Å; Y14-L25 HydrophobicContact CG-CD2 4.44Å; C23-L25 PolarHBondContact O-N 3.22Å; C23-L25 VanDerWaalsContact O-N 3.14Å; C23-L25 VanDerWaalsContact SG-CB 3.54Å; C23-L25 PolarHBondContact SG-N 2.86Å
26C85.7Confident74.3Confident59 Ų5980.1 Ų80.140%0.39944%0.444SS..THydrogen-bonded Turntrans-128.60.4-174.675.40000115.2C12 C23 T28C12-C26 HydrophobicContact CB-CB 3.76Å; C12-C26 WeakPolarHBondContact CB-SG 3.36Å; C12-C26 VanDerWaalsContact SG-SG 3.7Å; C23-C26 WeakPolarHBondContact CB-SG 3.3Å; C23-C26 PolarHBondContact O-N 3.31Å; C23-C26 PolarHBondContact SG-N 3.36Å; C23-C26 PolarHBondContact SG-SG 3.02Å; C26-T28 PolarHBondContact O-N 2.91Å; C26-T28 VanDerWaalsContact O-N 3.11Å; C26-T28 VanDerWaalsContact SG-CB 3.55Å; C26-T28 PolarHBondContact SG-OG1 3.39Å
27G85.4Confident72.2Confident41 Ų4185.5 Ų85.542%0.42347%0.473SS..  trans75-10179.400000116.5K22 C23K22-G27 WeakPolarHBondContact CB-O 3.38Å; C23-G27 WeakPolarHBondContact O-CA 3.36Å; C23-G27 PolarHBondContact O-N 3.17Å
28T85.5Confident70.3Confident38 Ų3884.8 Ų84.823%0.23348%0.476CS..  trans-54.5124.7178.6-60.50000111.2V11 K22 C23 C26V11-T28 HydrophobicContact CB-CG2 4.26Å; V11-T28 HydrophobicContact CG2-CG2 3.78Å; K22-T28 CarbonylContact C-O 3.47Å; K22-T28 VanDerWaalsContact CA-O 3.24Å; K22-T28 WeakPolarHBondContact CA-O 3.39Å; K22-T28 WeakPolarHBondContact CB-O 3.44Å; C23-T28 PolarHBondContact N-O 2.82Å; C26-T28 PolarHBondContact O-N 2.91Å; C26-T28 VanDerWaalsContact O-N 3.11Å; C26-T28 VanDerWaalsContact SG-CB 3.55Å; C26-T28 PolarHBondContact SG-OG1 3.39Å
29P86.7Confident68.4Low96 Ų9688.6 Ų88.662%0.62349%0.491SS*.BIsolated β-bridgetrans-60.3149.9179.925.2-34000111.7S31P29-S31 PolarHBondContact O-N 3.29Å; P29-S31 VanDerWaalsContact O-N 3.13Å
30R81Confident66.7Low80 Ų8093.1 Ų93.130%0.30250%0.504SS..  trans-68.5109.5172.6-173.6178.8-174.2179.2-1.9108.1W7 P18 F21 S32W7-R30 VanDerWaalsContact CD1-CZ 3.41Å; W7-R30 HydrophobicContact CD2-CB 4.36Å; W7-R30 HydrophobicContact CD2-CG 3.71Å; W7-R30 HydrophobicContact CE3-CB 4.33Å; W7-R30 HydrophobicContact CE3-CG 3.82Å; W7-R30 HydrophobicContact CG-CG 4.34Å; W7-R30 HydrophobicContact CH2-CB 3.58Å; W7-R30 HydrophobicContact CH2-CG 3.99Å; W7-R30 HydrophobicContact CZ2-CB 3.59Å; W7-R30 HydrophobicContact CZ2-CG 3.89Å; W7-R30 HydrophobicContact CZ3-CB 3.95Å; W7-R30 HydrophobicContact CZ3-CG 3.94Å; P18-R30 PolarHBondContact O-NH1 3.11Å; F21-R30 WeakPolarHBondContact O-CB 3.17Å; F21-R30 PolarHBondContact O-N 2.74Å; R30-S32 PolarHBondContact O-N 3Å
31S64.1Low65.2Low104 Ų10499 Ų9973%0.72753%0.533SS*.  trans-59.6109173.7550000109.7P29P29-S31 PolarHBondContact O-N 3.29Å; P29-S31 VanDerWaalsContact O-N 3.13Å
32S51.3Low63Low52 Ų5299.7 Ų99.736%0.36454%0.542SS..  trans-147109.5169.4-174.10000111.3R30 L34 I35R30-S32 PolarHBondContact O-N 3Å; S32-L34 PolarHBondContact O-N 2.75Å; S32-L34 PolarHBondContact OG-N 3.16Å; S32-I35 WeakPolarHBondContact OG-CG1 3.37Å; S32-I35 PolarHBondContact OG-N 3.2Å; S32-I35 VanDerWaalsContact OG-N 3.1Å
33T40.7Very low60.4Low145 Ų145101.3 Ų101.389%0.8955%0.551SS**SBendtrans-81.523.7162.346.70000111.8
34L44.5Very low57.9Low114 Ų114108.6 Ų108.660%0.59759%0.589SS**SBendtrans-143.5-3.1-171.3-67.3173.8000115.7S32 E36 E38S32-L34 PolarHBondContact O-N 2.75Å; S32-L34 PolarHBondContact OG-N 3.16Å; L34-E36 PolarHBondContact O-N 2.8Å; L34-E38 PolarHBondContact O-N 3.08Å
35I43.6Very low55.3Low67 Ų67110 Ų11034%0.34460%0.602SS.*Hα-helixtrans-70.9-31.5-172.5-90.1167.8000113.7S32 M39S32-I35 WeakPolarHBondContact OG-CG1 3.37Å; S32-I35 PolarHBondContact OG-N 3.2Å; S32-I35 VanDerWaalsContact OG-N 3.1Å; I35-M39 HydrophobicContact CG2-SD 4.04Å; I35-M39 PolarHBondContact O-N 3.46Å
36E44.3Very low52.8Low157 Ų157110.1 Ų110.173%0.73461%0.613SS**Hα-helixtrans-74.1-33.2-174-66.8-178.5162.200112.8L34 Q40L34-E36 PolarHBondContact O-N 2.8Å; E36-Q40 VanDerWaalsContact O-CG 3.31Å; E36-Q40 WeakPolarHBondContact O-CG 3.42Å; E36-Q40 PolarHBondContact O-NE2 3.23Å
37D46.1Very low50.2Low113 Ų113116 Ų11660%0.60463%0.632SS**Hα-helixtrans-79-39.3177.3-69.4-30.4000112.2M39 Q40 L41D37-M39 PolarHBondContact O-N 3.4Å; D37-Q40 PolarHBondContact O-N 2.89Å; D37-L41 PolarHBondContact O-N 2.99Å
38E44.1Very low47.9Very low138 Ų138121.1 Ų121.165%0.64565%0.65SS**Hα-helixtrans-73.3-28.1-175.9-157.1172.9-154.100112.6L34L34-E38 PolarHBondContact O-N 3.08Å
39M40.6Very low45.3Very low133 Ų133124.1 Ų124.166%0.65567%0.672SS**THydrogen-bonded Turntrans-77.3-19.7172.6-78.9179.251.700114.1I35 D37 H43I35-M39 HydrophobicContact CG2-SD 4.04Å; I35-M39 PolarHBondContact O-N 3.46Å; D37-M39 PolarHBondContact O-N 3.4Å; M39-H43 PolarHBondContact O-ND1 3.46Å
40Q46.7Very low42.6Very low139 Ų139126.7 Ų126.765%0.6568%0.676SS**THydrogen-bonded Turntrans-83.3-28.7176.4-72.2177.156.300112.3E36 D37 L42E36-Q40 VanDerWaalsContact O-CG 3.31Å; E36-Q40 WeakPolarHBondContact O-CG 3.42Å; E36-Q40 PolarHBondContact O-NE2 3.23Å; D37-Q40 PolarHBondContact O-N 2.89Å; Q40-L42 VanDerWaalsContact C-N 3.3Å; Q40-L42 PolarHBondContact O-N 3.33Å
41L46.9Very low40.4Very low138 Ų138130.8 Ų130.872%0.72370%0.696SS**THydrogen-bonded Turntrans-74.6-8.7-179-77.5165.4000115.6D37D37-L41 PolarHBondContact O-N 2.99Å
42L40.9Very low39Very low149 Ų149134.2 Ų134.278%0.7870%0.704SS**THydrogen-bonded Turntrans-101.76-177.4-69.9172.8000114.9Q40Q40-L42 VanDerWaalsContact C-N 3.3Å; Q40-L42 PolarHBondContact O-N 3.33Å
43H34.7Very low38.1Very low164 Ų164138.2 Ų138.276%0.75972%0.721SS**  trans-109.372.4178.9-74.9106.2000112.7M39M39-H43 PolarHBondContact O-ND1 3.46Å
44L34.7Very low37.8Very low155 Ų155140.1 Ų140.181%0.81272%0.717SS**  trans-120.3123.5168.6-94.687.9000114
45S31.5Very low37.2Very low113 Ų113139.8 Ų139.879%0.7973%0.725SS**  trans66.694.3151-165.50000119.4
46S29.4Very low36.8Very low117 Ų117143.3 Ų143.382%0.81875%0.754SS**  trans-73124.7155.9-38.20000111.3
47K32.1Very low36Very low182 Ų182140.1 Ų140.179%0.79175%0.754SS**  trans-175.4156.6146.7-105.5157.5-172.6178.50112.1
48D37.6Very low35.3Very low150 Ų150143.8 Ų143.880%0.80277%0.767SS**  trans65.7140.2170.1-48.7-31.8000117.8
49S30.3Very low34.5Very low100 Ų100142.3 Ų142.370%0.69978%0.779SS**  cis172.3119.7-32.6-103.30000105.5
50E30.6Very low34.2Very low150 Ų150142.8 Ų142.870%0.70179%0.789SS**  trans59.3145.8152.3-60.8-161.8130.700123.4
51K33.1Very low33.7Very low166 Ų166145.5 Ų145.572%0.72280%0.799SS**  trans68.4106.7152.2-67.2148.5-177.5155.50118.6
52I36.1Very low33.1Very low176 Ų176143 Ų14390%0.90379%0.787SS**  -169154.799.9-92.3154.8000109.6
53N31.8Very low33.3Very low137 Ų137140.9 Ų140.973%0.73378%0.784SS**  trans-127.2146.7-161-146.7-16000110.4
54K33.9Very low34.2Very low184 Ų184137.7 Ų137.780%0.878%0.776SS**  trans66.2148.8167.2-61.9172.3179.8178.90116.4
55S32.8Very low35.3Very low108 Ų108135.7 Ų135.776%0.75576%0.763SS**  cis-169.9140-9.145.80000110.5
56C34.2Very low37.4Very low141 Ų141134.6 Ų134.695%0.95375%0.747SS**  trans-168.4150.4133.9-121.90000109.6
57A28.6Very low39.8Very low90 Ų90131.3 Ų131.374%0.74472%0.72SS**  trans-111.6141.5-176.100000110.7
58E29.8Very low42.1Very low189 Ų189128.2 Ų128.288%0.88371%0.707SS**  trans-165.9121.8145.5-110.1160.6-151.400111.6
59A28.4Very low44.1Very low108 Ų108121.1 Ų121.189%0.89367%0.669SS**  trans18.392.7164.500000120.6
60V34Very low46.3Very low142 Ų142122.4 Ų122.486%0.86166%0.664SS**  trans-136.3143.9162.1-1750000111.7
61F35.7Very low48.1Very low196 Ų196118.3 Ų118.386%0.8665%0.652SS**  trans-64.6132.7-173.7-150.4-103.4000113S63F61-S63 PolarHBondContact O-N 2.77Å
62D34.8Very low50.3Low87 Ų87111.8 Ų111.847%0.46563%0.627SS.*  trans-76.9107.4-171.8178.619.4000113.3T64 Q65D62-T64 VanDerWaalsContact OD1-CB 3.27Å; D62-T64 WeakPolarHBondContact OD1-CB 3.06Å; D62-T64 WeakPolarHBondContact OD1-CG2 3.22Å; D62-T64 PolarHBondContact OD1-N 2.99Å; D62-T64 PolarHBondContact OD1-OG1 3.22Å; D62-T64 PolarHBondContact OD2-OG1 3.04Å; D62-Q65 PolarHBondContact OD2-NE2 2.85Å
63S44.1Very low52.3Low103 Ų103105 Ų10572%0.7259%0.594SS**  trans-86.98.2175.7-66.10000114.4F61F61-S63 PolarHBondContact O-N 2.77Å
64T54.3Low54.4Low97 Ų97102.8 Ų102.860%0.59558%0.576SS**THydrogen-bonded Turntrans-89.23.8-173.370.10000115.4D62 R78D62-T64 VanDerWaalsContact OD1-CB 3.27Å; D62-T64 WeakPolarHBondContact OD1-CB 3.06Å; D62-T64 WeakPolarHBondContact OD1-CG2 3.22Å; D62-T64 PolarHBondContact OD1-N 2.99Å; D62-T64 PolarHBondContact OD1-OG1 3.22Å; D62-T64 PolarHBondContact OD2-OG1 3.04Å; T64-R78 PolarHBondContact O-NH1 2.95Å
65Q58.8Low56.8Low114 Ų11498.9 Ų98.953%0.53356%0.563SS.*THydrogen-bonded Turntrans-102.614.8-176.7-57.3-154.821.800115.3D62 R78D62-Q65 PolarHBondContact OD2-NE2 2.85Å; Q65-R78 PolarHBondContact O-N 3.15Å
66L75.7Confident58.9Low89 Ų8993.8 Ų93.847%0.46653%0.527SS..EExtended strand (participates in β ladder)trans-109.6135-177.9-63.7170.7000112.9L75 N76L66-L75 HydrophobicContact CB-CB 4.18Å; L66-L75 HydrophobicContact CB-CD2 4.32Å; L66-L75 HydrophobicContact CD1-CB 4.14Å; L66-L75 HydrophobicContact CD1-CD1 4.33Å; L66-L75 HydrophobicContact CD2-CB 4.48Å; L66-L75 HydrophobicContact CG-CB 4.5Å; L66-N76 CarbonylContact C-O 3.59Å; L66-N76 WeakPolarHBondContact CA-O 3.36Å; L66-N76 WeakPolarHBondContact CD2-O 3.48Å
67I79.9Confident60.9Low48 Ų4892.3 Ų92.325%0.24651%0.506CS..EExtended strand (participates in β ladder)trans-115.1131.6176.1-170.5167.2000110.9N76 L90 C91I67-N76 HydrophobicContact CG2-CB 3.97Å; I67-N76 PolarHBondContact N-O 3.25Å; I67-N76 PolarHBondContact O-N 3.12Å; I67-L90 HydrophobicContact CD1-CB 4.32Å; I67-L90 WeakPolarHBondContact CD1-O 3.27Å; I67-L90 HydrophobicContact CG2-CB 4.31Å; I67-L90 HydrophobicContact CG2-CD1 3.97Å; I67-L90 HydrophobicContact CG2-CD2 4.48Å; I67-L90 HydrophobicContact CG2-CG 4.49Å; I67-C91 HydrophobicContact CD1-CB 4.42Å
68K80.6Confident62.9Low117 Ų11796.8 Ų96.851%0.50950%0.504SS..EExtended strand (participates in β ladder)trans-90.6122-175.6-173.8-174.2178.5-1730110.2Q70 T73 Y74 L75K68-Q70 PolarHBondContact O-N 3.34Å; K68-T73 WeakPolarHBondContact CG-O 3.04Å; K68-Y74 WeakPolarHBondContact CA-O 3.47Å; K68-L75 HydrophobicContact CB-CD2 4.25Å
69C79.2Confident64.8Low1 Ų195.4 Ų95.41%0.00750%0.497CS..  trans-63.4135.4171.2177.40000110.6S71 C72 T73 Y74 C83 C86 E88 L90C69-S71 VanDerWaalsContact C-N 3.28Å; C69-S71 PolarHBondContact O-N 3Å; C69-S71 VanDerWaalsContact SG-CA 3.56Å; C69-S71 VanDerWaalsContact SG-CB 3.54Å; C69-S71 PolarHBondContact SG-N 3.36Å; C69-C72 HydrophobicContact CB-CB 4.26Å; C69-C72 WeakPolarHBondContact CB-SG 3.21Å; C69-C72 PolarHBondContact SG-N 2.94Å; C69-C72 PolarHBondContact SG-SG 3.3Å; C69-T73 VanDerWaalsContact O-CA 3.23Å; C69-T73 WeakPolarHBondContact O-CA 3.48Å; C69-T73 PolarHBondContact O-N 3.13Å; C69-Y74 PolarHBondContact N-O 3.34Å; C69-Y74 VanDerWaalsContact N-O 3.14Å; C69-C83 HydrophobicContact CB-CB 3.83Å; C69-C86 WeakPolarHBondContact CB-SG 3.5Å; C69-C86 VanDerWaalsContact SG-CB 3.51Å; C69-C86 CovalentContact SG-SG 2.11Å; C69-C86 PolarHBondContact SG-SG 3.43Å; C69-E88 WeakPolarHBondContact SG-CB 3.3Å; C69-L90 VanDerWaalsContact CA-CD2 3.47Å; C69-L90 HydrophobicContact CB-CD2 3.62Å
70Q75.2Confident66.7Low128 Ų12892 Ų9260%0.59846%0.464SS*.THydrogen-bonded Turntrans-61-35.6170.5-68.783.3-15.600111.9K68K68-Q70 PolarHBondContact O-N 3.34Å
71S70Confident68.4Low63 Ų6392.3 Ų92.344%0.44145%0.454SS..THydrogen-bonded Turntrans-82-62.7175.8-79.20000116C69 E88C69-S71 VanDerWaalsContact C-N 3.28Å; C69-S71 PolarHBondContact O-N 3Å; C69-S71 VanDerWaalsContact SG-CA 3.56Å; C69-S71 VanDerWaalsContact SG-CB 3.54Å; C69-S71 PolarHBondContact SG-N 3.36Å; S71-E88 VanDerWaalsContact CB-OE2 3.25Å; S71-E88 WeakPolarHBondContact CB-OE2 3.35Å; S71-E88 PolarHBondContact OG-OE2 2.7Å
72C79.1Confident70.2Confident30 Ų3085.1 Ų85.120%0.20342%0.423CS..THydrogen-bonded Turntrans-77.8-17.6-176.261.30000113.8C69 Y74 C83 Q85 C86C69-C72 HydrophobicContact CB-CB 4.26Å; C69-C72 WeakPolarHBondContact CB-SG 3.21Å; C69-C72 PolarHBondContact SG-N 2.94Å; C69-C72 PolarHBondContact SG-SG 3.3Å; C72-Y74 PolarHBondContact O-N 3.27Å; C72-Y74 WeakPolarHBondContact SG-CB 3.11Å; C72-Y74 PolarHBondContact SG-N 3.32Å; C72-C83 WeakPolarHBondContact CB-SG 3.13Å; C72-C83 WeakPolarHBondContact SG-CB 3.45Å; C72-C83 CovalentContact SG-SG 2.09Å; C72-C83 PolarHBondContact SG-SG 3.44Å; C72-Q85 HydrophobicContact CB-CB 3.9Å; C72-Q85 HydrophobicContact CB-CG 4.22Å; C72-C86 HydrophobicContact CB-CB 3.37Å; C72-C86 PolarHBondContact SG-SG 2.89Å
73T77.5Confident72.1Confident33 Ų3381 Ų8120%0.20240%0.401CS..  trans57.4-0.4-164.173.60000116.8F21 K68 C69F21-T73 HydrophobicContact CE2-CG2 3.8Å; F21-T73 HydrophobicContact CZ-CG2 3.76Å; K68-T73 WeakPolarHBondContact CG-O 3.04Å; C69-T73 VanDerWaalsContact O-CA 3.23Å; C69-T73 WeakPolarHBondContact O-CA 3.48Å; C69-T73 PolarHBondContact O-N 3.13Å
74Y75.6Confident73.7Confident91 Ų9181 Ų8136%0.35739%0.389SS..  trans-61.8144.8176.9-173-84.5000111.5K68 C69 C72 N76 C83 E84 Q85K68-Y74 WeakPolarHBondContact CA-O 3.47Å; C69-Y74 PolarHBondContact N-O 3.34Å; C69-Y74 VanDerWaalsContact N-O 3.14Å; C72-Y74 PolarHBondContact O-N 3.27Å; C72-Y74 WeakPolarHBondContact SG-CB 3.11Å; C72-Y74 PolarHBondContact SG-N 3.32Å; Y74-N76 VanDerWaalsContact CD1-OD1 3.3Å; Y74-N76 WeakPolarHBondContact CD1-OD1 3.42Å; Y74-N76 PolarHBondContact O-ND2 3.3Å; Y74-N76 VanDerWaalsContact O-ND2 3.08Å; Y74-C83 VanDerWaalsContact CB-SG 3.51Å; Y74-E84 HydrophobicContact CE1-CB 4.06Å; Y74-E84 PolarHBondContact OH-OE2 3.26Å; Y74-Q85 HydrophobicContact CD2-CB 3.9Å; Y74-Q85 HydrophobicContact CD2-CG 4.45Å; Y74-Q85 HydrophobicContact CG-CB 4.09Å
75L84Confident74.4Confident101 Ų10181.7 Ų81.753%0.52939%0.386SS..EExtended strand (participates in β ladder)trans-89.8101.5177.1-67.7173.2000110.1L66 K68L66-L75 HydrophobicContact CB-CB 4.18Å; L66-L75 HydrophobicContact CB-CD2 4.32Å; L66-L75 HydrophobicContact CD1-CB 4.14Å; L66-L75 HydrophobicContact CD1-CD1 4.33Å; L66-L75 HydrophobicContact CD2-CB 4.48Å; L66-L75 HydrophobicContact CG-CB 4.5Å; K68-L75 HydrophobicContact CB-CD2 4.25Å
76N77.4Confident74.9Confident1 Ų178 Ų781%0.00537%0.372CS..EExtended strand (participates in β ladder)trans-92.8157.8-180-64.7-81.3000110.6L66 I67 Y74 N80 C83 E84 L90L66-N76 CarbonylContact C-O 3.59Å; L66-N76 WeakPolarHBondContact CA-O 3.36Å; L66-N76 WeakPolarHBondContact CD2-O 3.48Å; I67-N76 HydrophobicContact CG2-CB 3.97Å; I67-N76 PolarHBondContact N-O 3.25Å; I67-N76 PolarHBondContact O-N 3.12Å; Y74-N76 VanDerWaalsContact CD1-OD1 3.3Å; Y74-N76 WeakPolarHBondContact CD1-OD1 3.42Å; Y74-N76 PolarHBondContact O-ND2 3.3Å; Y74-N76 VanDerWaalsContact O-ND2 3.08Å; N76-N80 HydrophobicContact CB-CB 4.08Å; N76-C83 WeakPolarHBondContact OD1-CA 3.24Å; N76-E84 PolarHBondContact OD1-N 3.2Å; N76-L90 HydrophobicContact CB-CD1 3.47Å; N76-L90 VanDerWaalsContact CB-CD1 3.47Å; N76-L90 HydrophobicContact CB-CD2 4.49Å; N76-L90 WeakPolarHBondContact ND2-CD2 3.33Å
77Q76.8Confident74.7Confident110 Ų11080.5 Ų80.551%0.51438%0.38SS..EExtended strand (participates in β ladder)trans-64.8145.4168.2-58.9-177.533.400109.6Q79 N80Q77-Q79 PolarHBondContact O-N 2.61Å; Q77-N80 VanDerWaalsContact O-CB 3.27Å; Q77-N80 WeakPolarHBondContact O-CB 3.41Å; Q77-N80 PolarHBondContact O-N 3.04Å
78R69.1Low74.4Confident185 Ų18582.5 Ų82.570%0.69839%0.388SS*.THydrogen-bonded Turntrans-60.3-13.2179.8-146.2175.1-172.5159.8-2.4114.3T64 Q65T64-R78 PolarHBondContact O-NH1 2.95Å; Q65-R78 PolarHBondContact O-N 3.15Å
79Q71Confident74.2Confident159 Ų15979.5 Ų79.574%0.74338%0.379SS*.THydrogen-bonded Turntrans-85.6-13.9174.7-59.2-178.911.100113.2Q77 F81Q77-Q79 PolarHBondContact O-N 2.61Å; Q79-F81 PolarHBondContact O-N 2.71Å
80N68.4Low73.7Confident37 Ų3779.6 Ų79.620%0.19838%0.38CS..  trans-77.1121.7-179.6-64.84.6000109.1N76 Q77 K82 E84 L90N76-N80 HydrophobicContact CB-CB 4.08Å; Q77-N80 VanDerWaalsContact O-CB 3.27Å; Q77-N80 WeakPolarHBondContact O-CB 3.41Å; Q77-N80 PolarHBondContact O-N 3.04Å; N80-K82 VanDerWaalsContact C-N 3.28Å; N80-E84 WeakPolarHBondContact ND2-CG 3.18Å; N80-E84 PolarHBondContact ND2-OE1 3.45Å; N80-L90 HydrophobicContact CB-CD1 3.83Å; N80-L90 WeakPolarHBondContact O-CD1 3.22Å
81F70.3Confident72.8Confident149 Ų14976.9 Ų76.965%0.65437%0.374SS*.SBendtrans-75.2-18.1172.4-105.5-92.1000113.3Q79 V89 L90Q79-F81 PolarHBondContact O-N 2.71Å; F81-V89 WeakPolarHBondContact O-CA 3.4Å; F81-L90 PolarHBondContact O-N 2.11Å; F81-L90 VanDerWaalsContact O-N 3.12Å
82K73.4Confident71.4Confident45 Ų4581.1 Ų81.120%0.19639%0.392CS..BIsolated β-bridgetrans-136.5151.1-179.4-64.4-176.8178.1-170.20110.8N80 E84 F87 E88 L90 N323N80-K82 VanDerWaalsContact C-N 3.28Å; K82-E84 PolarHBondContact O-N 2.78Å; K82-F87 WeakPolarHBondContact CD-O 3.28Å; K82-E88 CarbonylContact C-O 3.49Å; K82-E88 WeakPolarHBondContact CA-O 3.39Å; K82-L90 VanDerWaalsContact O-CD1 3.27Å; K82-L90 WeakPolarHBondContact O-CD1 3.35Å; K82-N323 WeakPolarHBondContact CE-OD1 3.38Å; K82-N323 PolarHBondContact NZ-OD1 3.31Å
83C74.8Confident69.1Low1 Ų183.9 Ų83.91%0.00741%0.411CS..  trans-65.1136170.8179.30000110.9C69 C72 Y74 N76 Q85 C86 F87 E88 L90C69-C83 HydrophobicContact CB-CB 3.83Å; C72-C83 WeakPolarHBondContact CB-SG 3.13Å; C72-C83 WeakPolarHBondContact SG-CB 3.45Å; C72-C83 CovalentContact SG-SG 2.09Å; C72-C83 PolarHBondContact SG-SG 3.44Å; Y74-C83 VanDerWaalsContact CB-SG 3.51Å; N76-C83 WeakPolarHBondContact OD1-CA 3.24Å; C83-Q85 PolarHBondContact O-N 3.18Å; C83-Q85 VanDerWaalsContact O-N 3.08Å; C83-Q85 VanDerWaalsContact SG-CA 3.59Å; C83-Q85 WeakPolarHBondContact SG-CB 3.44Å; C83-Q85 PolarHBondContact SG-N 2.82Å; C83-C86 HydrophobicContact CB-CB 4.18Å; C83-C86 WeakPolarHBondContact CB-SG 3.37Å; C83-C86 PolarHBondContact SG-N 3.1Å; C83-C86 PolarHBondContact SG-SG 3.09Å; C83-F87 VanDerWaalsContact O-CA 3.29Å; C83-F87 WeakPolarHBondContact O-CA 3.43Å; C83-F87 PolarHBondContact O-N 2.81Å; C83-E88 PolarHBondContact N-O 2.82Å; C83-L90 HydrophobicContact CB-CD2 4.14Å
84E77.4Confident67.3Low101 Ų10188.1 Ų88.147%0.47244%0.439SS..THydrogen-bonded Turntrans-64.2-11.2172-62.8-178.7-170.100112.8Y74 N76 N80 K82Y74-E84 HydrophobicContact CE1-CB 4.06Å; Y74-E84 PolarHBondContact OH-OE2 3.26Å; N76-E84 PolarHBondContact OD1-N 3.2Å; N80-E84 WeakPolarHBondContact ND2-CG 3.18Å; N80-E84 PolarHBondContact ND2-OE1 3.45Å; K82-E84 PolarHBondContact O-N 2.78Å
85Q68.3Low65.2Low113 Ų11389.1 Ų89.153%0.52846%0.455SS..THydrogen-bonded Turntrans-115.8-52.9-178.1-16277.923.900115.1C72 Y74 C83C72-Q85 HydrophobicContact CB-CB 3.9Å; C72-Q85 HydrophobicContact CB-CG 4.22Å; Y74-Q85 HydrophobicContact CD2-CB 3.9Å; Y74-Q85 HydrophobicContact CD2-CG 4.45Å; Y74-Q85 HydrophobicContact CG-CB 4.09Å; C83-Q85 PolarHBondContact O-N 3.18Å; C83-Q85 VanDerWaalsContact O-N 3.08Å; C83-Q85 VanDerWaalsContact SG-CA 3.59Å; C83-Q85 WeakPolarHBondContact SG-CB 3.44Å; C83-Q85 PolarHBondContact SG-N 2.82Å
86C70.4Confident62.6Low37 Ų3791.2 Ų91.225%0.2547%0.466CS..THydrogen-bonded Turntrans-80.3-20.7177.453.60000112.2C69 C72 C83 E88C69-C86 WeakPolarHBondContact CB-SG 3.5Å; C69-C86 VanDerWaalsContact SG-CB 3.51Å; C69-C86 CovalentContact SG-SG 2.11Å; C69-C86 PolarHBondContact SG-SG 3.43Å; C72-C86 HydrophobicContact CB-CB 3.37Å; C72-C86 PolarHBondContact SG-SG 2.89Å; C83-C86 HydrophobicContact CB-CB 4.18Å; C83-C86 WeakPolarHBondContact CB-SG 3.37Å; C83-C86 PolarHBondContact SG-N 3.1Å; C83-C86 PolarHBondContact SG-SG 3.09Å; C86-E88 HydrophobicContact CB-CB 3.95Å; C86-E88 PolarHBondContact O-N 3.5Å; C86-E88 WeakPolarHBondContact SG-CB 3.48Å; C86-E88 PolarHBondContact SG-N 3.29Å
87F70.5Confident60.1Low141 Ų14197.2 Ų97.262%0.61850%0.498SS*.  trans54.1-0-160.8-64.9-78.8000116.4K82 C83K82-F87 WeakPolarHBondContact CD-O 3.28Å; C83-F87 VanDerWaalsContact O-CA 3.29Å; C83-F87 WeakPolarHBondContact O-CA 3.43Å; C83-F87 PolarHBondContact O-N 2.81Å
88E73.4Confident58Low90 Ų9097.7 Ų97.742%0.42151%0.508SS..  trans-53.5147.3166.7-154.174.2-11000111C69 S71 K82 C83 C86C69-E88 WeakPolarHBondContact SG-CB 3.3Å; S71-E88 VanDerWaalsContact CB-OE2 3.25Å; S71-E88 WeakPolarHBondContact CB-OE2 3.35Å; S71-E88 PolarHBondContact OG-OE2 2.7Å; K82-E88 CarbonylContact C-O 3.49Å; K82-E88 WeakPolarHBondContact CA-O 3.39Å; C83-E88 PolarHBondContact N-O 2.82Å; C86-E88 HydrophobicContact CB-CB 3.95Å; C86-E88 PolarHBondContact O-N 3.5Å; C86-E88 WeakPolarHBondContact SG-CB 3.48Å; C86-E88 PolarHBondContact SG-N 3.29Å
89V75.9Confident56.1Low54 Ų5496.9 Ų96.933%0.32751%0.512SS..BIsolated β-bridgetrans-68.3139.4172.4-1790000109.6F81 N323F81-V89 WeakPolarHBondContact O-CA 3.4Å; V89-N323 WeakPolarHBondContact CG2-ND2 3.26Å
90L68.6Low54.3Low3 Ų396.4 Ų96.42%0.01652%0.52CS..  trans-92.9-18.3-168.3-75.5168.3000116.3I67 C69 N76 N80 F81 K82 C83I67-L90 HydrophobicContact CD1-CB 4.32Å; I67-L90 WeakPolarHBondContact CD1-O 3.27Å; I67-L90 HydrophobicContact CG2-CB 4.31Å; I67-L90 HydrophobicContact CG2-CD1 3.97Å; I67-L90 HydrophobicContact CG2-CD2 4.48Å; I67-L90 HydrophobicContact CG2-CG 4.49Å; C69-L90 VanDerWaalsContact CA-CD2 3.47Å; C69-L90 HydrophobicContact CB-CD2 3.62Å; N76-L90 HydrophobicContact CB-CD1 3.47Å; N76-L90 VanDerWaalsContact CB-CD1 3.47Å; N76-L90 HydrophobicContact CB-CD2 4.49Å; N76-L90 WeakPolarHBondContact ND2-CD2 3.33Å; N80-L90 HydrophobicContact CB-CD1 3.83Å; N80-L90 WeakPolarHBondContact O-CD1 3.22Å; F81-L90 PolarHBondContact O-N 2.11Å; F81-L90 VanDerWaalsContact O-N 3.12Å; K82-L90 VanDerWaalsContact O-CD1 3.27Å; K82-L90 WeakPolarHBondContact O-CD1 3.35Å; C83-L90 HydrophobicContact CB-CD2 4.14Å
91C57.3Low52.4Low71 Ų7199.6 Ų99.648%0.4855%0.545SS..  trans175167.5159.1-103.90000110.5I67I67-C91 HydrophobicContact CD1-CB 4.42Å
92D40.3Very low50.6Low151 Ų151101.7 Ų101.781%0.80755%0.554SS**PPolyproline II helixtrans-71.2156.7-177.2-57.7-68.5000114.8P94D92-P94 WeakPolarHBondContact O-CD 3.46Å
93S31.9Very low48.6Very low88 Ų88108.6 Ų108.662%0.61559%0.587SS**PPolyproline II helixtrans-69.4122.2-179.8-174.50000111.6
94P38.4Very low46.6Very low122 Ų122112.9 Ų112.979%0.79262%0.622SS**PPolyproline II helixtrans-68.2135.6166.128.8-32.4000110D92D92-P94 WeakPolarHBondContact O-CD 3.46Å
95V30.9Very low44.3Very low113 Ų113113.3 Ų113.369%0.68564%0.637SS**  trans-113121.6-176.4165.60000108.2
96L29.5Very low42.7Very low145 Ų145113.2 Ų113.276%0.75965%0.648SS**  trans65.5158.4164.4-58.2172.7000115.7
97D26.8Very low41Very low126 Ų126116.6 Ų116.667%0.67467%0.668SS**  cis-159.9-178.4-3.8-123.7-32.1000109.3
98V32.7Very low39.1Very low121 Ų121120.1 Ų120.173%0.73368%0.677SS**  trans73.4133.6164.2-162.90000114.9
99E28.9Very low37.2Very low168 Ų168122.6 Ų122.679%0.78569%0.693SS**  cis-157.4134.12.9-128.2161-159.200109.3
100V31.7Very low35.1Very low149 Ų149125.1 Ų125.190%0.90371%0.713SS**  trans-154.496.6135-178.80000108.3
101S29.5Very low33.4Very low103 Ų103130.7 Ų130.772%0.7275%0.749SS**  trans-81.8129.7164.7-73.80000110.7
102K32.3Very low32.2Very low193 Ų193132.7 Ų132.784%0.83976%0.761SS**  trans161.499.3141.1-92160.9-176.2174.50113
103Q31.6Very low31.7Very low190 Ų190131.4 Ų131.489%0.88876%0.759SS**SBend168.5135.9102.4-96173.4-10.200112.5
104A32.4Very low31.6Very low91 Ų91133 Ų13375%0.75277%0.765SS**  trans49.296.5164.300000116.7
105S29.7Very low31.1Very low111 Ų111133.5 Ų133.578%0.77677%0.766SS**  cis63.6134.941.8-47.20000115.6
106S34.8Very low31.1Very low111 Ų111133.6 Ų133.678%0.77677%0.772SS**  trans82.7137.9165.279.90000118.6
107T33.7Very low31.2Very low108 Ų108134.7 Ų134.766%0.66378%0.778SS**  cis-163.9163.5-39.7-3.80000111.4
108W32Very low31.3Very low214 Ų214134 Ų13481%0.81178%0.782SS**  trans64107150.7-56.8131.8000122.1
109L32.2Very low31.5Very low142 Ų142134.6 Ų134.674%0.74379%0.789SS**  65129.8121.7-70.9165.5000123.4
110S31.1Very low32.4Very low107 Ų107130.6 Ų130.675%0.74878%0.779SS**  trans95118.2149-56.90000118.4
111P33.4Very low33.6Very low120 Ų120126.2 Ų126.278%0.77976%0.764SS**  trans-88.2167.3174.141.5-37.8000110.8
112P33.5Very low35.9Very low114 Ų114125.1 Ų125.174%0.7475%0.747SS**  -154.1163.787.944.3-26.2000117.5
113T28.4Very low38.4Very low123 Ų123117.5 Ų117.576%0.75571%0.713SS**  trans59.9142.4152.1-19.20000123.8
114T31.1Very low40.8Very low122 Ų122112 Ų11275%0.74869%0.692SS**  trans74.596.8152.524.20000121.3
115T27.5Very low43Very low132 Ų132107.8 Ų107.881%0.8166%0.657SS**  53.594125.1-41.80000120.2
116S29.9Very low45.4Very low115 Ų115108.5 Ų108.580%0.80465%0.651SS**  -163.3160.5129.164.50000113.8
117L32.7Very low47.2Very low169 Ų169110.3 Ų110.389%0.88565%0.647SS**  trans-46.7137.8-174.8-71.356.1000115.9
118S28.7Very low49.3Very low110 Ų110106.7 Ų106.777%0.76963%0.626SS**  trans-108.7143.9156.458.40000111.2S120S118-S120 PolarHBondContact O-N 3.3Å
119P36.7Very low51.6Low134 Ų13499.9 Ų99.987%0.8761%0.608SS**SBendtrans-97.589.5-147.636.3-36.2000114.9
120S47Very low53.7Low84 Ų8497.9 Ų97.959%0.58759%0.591SS**  trans-145.1112.5140.877.10000109S118 K122S118-S120 PolarHBondContact O-N 3.3Å; S120-K122 PolarHBondContact O-N 3.19Å
121G57.9Low56.3Low57 Ų5797.8 Ų97.859%0.58858%0.579SS**  trans-73.327.1-166.700000115.7P134G121-P134 WeakPolarHBondContact O-CA 3.48Å; G121-P134 WeakPolarHBondContact O-CB 3.37Å; G121-P134 WeakPolarHBondContact O-CD 3.29Å; G121-P134 WeakPolarHBondContact O-CG 3.18Å
122K78.3Confident58.6Low81 Ų8192.1 Ų92.135%0.35254%0.542SS..  trans-79.6146.7-177.3-60.9-175.2-163.3167.40111.5S120 E131 N132 W133S120-K122 PolarHBondContact O-N 3.19Å; K122-E131 HydrophobicContact CB-CB 4.27Å; K122-E131 HydrophobicContact CD-CB 3.83Å; K122-E131 WeakPolarHBondContact CD-OE2 3.4Å; K122-E131 IonicContact NZ-OE2 3.57Å; K122-E131 PolarHBondContact NZ-OE2 3.06Å; K122-N132 CarbonylContact C-O 3.4Å; K122-N132 WeakPolarHBondContact CA-O 3.43Å; K122-N132 WeakPolarHBondContact CB-O 3.41Å; K122-W133 HydrophobicContact CG-CE3 4.37Å
123W83.7Confident61Low33 Ų3395.1 Ų95.113%0.12554%0.539CS..EExtended strand (participates in β ladder)trans-115.3135.6175.669.4-94.1000111.2C125 N132 W133 S136 H138 C139 P146W123-C125 HydrophobicContact CE3-CB 4.44Å; W123-C125 HydrophobicContact CH2-CB 4.1Å; W123-C125 HydrophobicContact CZ3-CB 3.56Å; W123-N132 HydrophobicContact CD2-CB 3.86Å; W123-N132 VanDerWaalsContact CE2-CB 3.41Å; W123-N132 HydrophobicContact CG-CB 4.22Å; W123-N132 HydrophobicContact CH2-CB 4.42Å; W123-N132 HydrophobicContact CZ2-CB 3.71Å; W123-N132 PolarHBondContact N-O 2.76Å; W123-N132 WeakPolarHBondContact O-CB 3.47Å; W123-N132 PolarHBondContact O-N 3.4Å; W123-N132 PolarHBondContact O-ND2 2.13Å; W123-W133 PolarHBondContact NE1-O 3.27Å; W123-S136 WeakPolarHBondContact CZ2-O 3.17Å; W123-S136 PolarHBondContact NE1-O 3.16Å; W123-H138 VanDerWaalsContact CZ2-C 3.42Å; W123-H138 WeakPolarHBondContact CZ2-O 3.45Å; W123-C139 HydrophobicContact CH2-CB 4.38Å; W123-P146 HydrophobicContact CD2-CB 3.94Å; W123-P146 HydrophobicContact CD2-CG 4.3Å; W123-P146 HydrophobicContact CE3-CB 4.09Å; W123-P146 HydrophobicContact CG-CB 4.49Å; W123-P146 HydrophobicContact CH2-CB 4.19Å; W123-P146 HydrophobicContact CH2-CG 3.97Å; W123-P146 HydrophobicContact CZ2-CB 4.08Å; W123-P146 HydrophobicContact CZ2-CG 3.59Å; W123-P146 VanDerWaalsContact CZ3-CA 3.46Å; W123-P146 HydrophobicContact CZ3-CB 4.19Å; W123-P146 HydrophobicContact CZ3-CG 4.47Å
124T81.7Confident63.3Low75 Ų7593.2 Ų93.246%0.4653%0.529SS..EExtended strand (participates in β ladder)trans-87.2125.3-178.6-44.40000110.2T129 Y130T124-T129 WeakPolarHBondContact CG2-O 3.24Å; T124-Y130 WeakPolarHBondContact CA-O 3.37Å
125C79.6Confident65.5Low1 Ų196.8 Ų96.81%0.00753%0.534CS..  trans-70.6136.9171.31430000110.7W123 E127 C128 T129 Y130 C139 C142W123-C125 HydrophobicContact CE3-CB 4.44Å; W123-C125 HydrophobicContact CH2-CB 4.1Å; W123-C125 HydrophobicContact CZ3-CB 3.56Å; C125-E127 VanDerWaalsContact C-N 3.29Å; C125-E127 PolarHBondContact O-N 3.43Å; C125-E127 PolarHBondContact SG-N 2.89Å; C125-C128 WeakPolarHBondContact CB-SG 3.3Å; C125-C128 PolarHBondContact O-N 2.55Å; C125-C128 PolarHBondContact SG-N 2.87Å; C125-C128 PolarHBondContact SG-SG 3.5Å; C125-T129 WeakPolarHBondContact O-CA 3.41Å; C125-T129 PolarHBondContact O-N 2.87Å; C125-Y130 PolarHBondContact N-O 3.4Å; C125-Y130 VanDerWaalsContact N-O 3.09Å; C125-C139 HydrophobicContact CB-CB 3.34Å; C125-C142 WeakPolarHBondContact CB-SG 3.42Å; C125-C142 WeakPolarHBondContact SG-CB 3.48Å; C125-C142 CovalentContact SG-SG 2.11Å; C125-C142 PolarHBondContact SG-SG 3.46Å
126I79.2Confident68.2Low126 Ų12691.9 Ų91.965%0.64651%0.505SS*.THydrogen-bonded Turntrans-66.3-34.1-173.9-22.5-179.7000110.8P147I126-P147 HydrophobicContact CD1-CB 4.07Å
127E73.6Confident70.7Confident149 Ų14995 Ų9570%0.69650%0.504SS*.THydrogen-bonded Turntrans-80.4-38.4177.2-42-58.7139.200114.1C125 C142 A144C125-E127 VanDerWaalsContact C-N 3.29Å; C125-E127 PolarHBondContact O-N 3.43Å; C125-E127 PolarHBondContact SG-N 2.89Å; E127-C142 HydrophobicContact CB-CB 4.4Å; E127-A144 HydrophobicContact CG-CB 3.63Å
128C77Confident73.3Confident33 Ų3391 Ų9122%0.22348%0.48CS..THydrogen-bonded Turntrans-106.3-15.4-167.966.90000115C125 Y130 C139 M141 C142C125-C128 WeakPolarHBondContact CB-SG 3.3Å; C125-C128 PolarHBondContact O-N 2.55Å; C125-C128 PolarHBondContact SG-N 2.87Å; C125-C128 PolarHBondContact SG-SG 3.5Å; C128-Y130 PolarHBondContact O-N 2.97Å; C128-Y130 WeakPolarHBondContact SG-CB 3.09Å; C128-Y130 PolarHBondContact SG-N 3.31Å; C128-Y130 VanDerWaalsContact SG-N 3.37Å; C128-C139 WeakPolarHBondContact CB-SG 3.34Å; C128-C139 WeakPolarHBondContact SG-CB 3.18Å; C128-C139 CovalentContact SG-SG 2.13Å; C128-C139 PolarHBondContact SG-SG 3.28Å; C128-M141 HydrophobicContact CB-CB 4.17Å; C128-C142 HydrophobicContact CB-CB 3.3Å; C128-C142 VanDerWaalsContact SG-CB 3.56Å
129T79.4Confident75.8Confident70 Ų7085.7 Ų85.743%0.42944%0.444SS..  trans57.45.9-16972.80000116.3T124 C125T124-T129 WeakPolarHBondContact CG2-O 3.24Å; C125-T129 WeakPolarHBondContact O-CA 3.41Å; C125-T129 PolarHBondContact O-N 2.87Å
130Y76.5Confident77.9Confident101 Ų10182.3 Ų82.340%0.39642%0.42SS..  trans-75.7139.4178.3-172.7-95000111.5T124 C125 C128 N132 V140 M141T124-Y130 WeakPolarHBondContact CA-O 3.37Å; C125-Y130 PolarHBondContact N-O 3.4Å; C125-Y130 VanDerWaalsContact N-O 3.09Å; C128-Y130 PolarHBondContact O-N 2.97Å; C128-Y130 WeakPolarHBondContact SG-CB 3.09Å; C128-Y130 PolarHBondContact SG-N 3.31Å; C128-Y130 VanDerWaalsContact SG-N 3.37Å; Y130-N132 WeakPolarHBondContact CD1-OD1 3.5Å; Y130-N132 PolarHBondContact O-N 3.48Å; Y130-N132 PolarHBondContact O-ND2 3.4Å; Y130-N132 VanDerWaalsContact O-ND2 3.09Å; Y130-V140 HydrophobicContact CD1-CB 4.38Å; Y130-V140 HydrophobicContact CE1-CB 3.85Å; Y130-V140 HydrophobicContact CE1-CG2 4.34Å; Y130-M141 HydrophobicContact CD1-CG 3.99Å; Y130-M141 HydrophobicContact CD2-CG 3.28Å; Y130-M141 HydrophobicContact CD2-SD 4.15Å; Y130-M141 HydrophobicContact CE1-CG 4.39Å; Y130-M141 HydrophobicContact CE2-CG 3.74Å; Y130-M141 HydrophobicContact CE2-SD 4.11Å; Y130-M141 HydrophobicContact CG-CB 4.3Å; Y130-M141 HydrophobicContact CG-CG 3.4Å; Y130-M141 VanDerWaalsContact CG-CG 3.4Å
131E86.1Confident78.9Confident105 Ų10584.4 Ų84.449%0.49142%0.423SS..EExtended strand (participates in β ladder)trans-81.4111.7174.7-65.3-172164.500111.6K122K122-E131 HydrophobicContact CB-CB 4.27Å; K122-E131 HydrophobicContact CD-CB 3.83Å; K122-E131 WeakPolarHBondContact CD-OE2 3.4Å; K122-E131 IonicContact NZ-OE2 3.57Å; K122-E131 PolarHBondContact NZ-OE2 3.06Å
132N82Confident79.8Confident1 Ų183.3 Ų83.31%0.00541%0.405CS..EExtended strand (participates in β ladder)trans-97.7146.9178.4-58.3-73.7000110.7K122 W123 Y130 C139 V140K122-N132 CarbonylContact C-O 3.4Å; K122-N132 WeakPolarHBondContact CA-O 3.43Å; K122-N132 WeakPolarHBondContact CB-O 3.41Å; W123-N132 HydrophobicContact CD2-CB 3.86Å; W123-N132 VanDerWaalsContact CE2-CB 3.41Å; W123-N132 HydrophobicContact CG-CB 4.22Å; W123-N132 HydrophobicContact CH2-CB 4.42Å; W123-N132 HydrophobicContact CZ2-CB 3.71Å; W123-N132 PolarHBondContact N-O 2.76Å; W123-N132 WeakPolarHBondContact O-CB 3.47Å; W123-N132 PolarHBondContact O-N 3.4Å; W123-N132 PolarHBondContact O-ND2 2.13Å; Y130-N132 WeakPolarHBondContact CD1-OD1 3.5Å; Y130-N132 PolarHBondContact O-N 3.48Å; Y130-N132 PolarHBondContact O-ND2 3.4Å; Y130-N132 VanDerWaalsContact O-ND2 3.09Å; N132-C139 WeakPolarHBondContact OD1-CA 3.22Å; N132-V140 PolarHBondContact OD1-N 3.49Å
133W84.6Confident80Confident176 Ų17684 Ų8467%0.66741%0.408SS*.  trans-64.2153173.9-69.499.5000111.3K122 W123 K135 S136K122-W133 HydrophobicContact CG-CE3 4.37Å; W123-W133 PolarHBondContact NE1-O 3.27Å; W133-K135 PolarHBondContact O-N 2.92Å; W133-S136 VanDerWaalsContact O-CB 3.28Å; W133-S136 WeakPolarHBondContact O-CB 3.33Å; W133-S136 PolarHBondContact O-N 3.12Å; W133-S136 PolarHBondContact O-OG 3.39Å
134P77Confident79.8Confident84 Ų8483.8 Ų83.855%0.54541%0.414SS..THydrogen-bonded Turntrans-58-24.9-17712.3-21000113.9G121G121-P134 WeakPolarHBondContact O-CA 3.48Å; G121-P134 WeakPolarHBondContact O-CB 3.37Å; G121-P134 WeakPolarHBondContact O-CD 3.29Å; G121-P134 WeakPolarHBondContact O-CG 3.18Å
135K77.2Confident79.8Confident197 Ų19784.3 Ų84.386%0.85742%0.421SS*.THydrogen-bonded Turntrans-83.5-10.3177.7-63.2-175.2177.9-178.50114W133 K137W133-K135 PolarHBondContact O-N 2.92Å; K135-K137 PolarHBondContact O-N 3.07Å
136S82.3Confident79.9Confident29 Ų2986.5 Ų86.520%0.20344%0.435CS..  trans-73.4117.1-179.4-65.20000110.7W123 W133 H138W123-S136 WeakPolarHBondContact CZ2-O 3.17Å; W123-S136 PolarHBondContact NE1-O 3.16Å; W133-S136 VanDerWaalsContact O-CB 3.28Å; W133-S136 WeakPolarHBondContact O-CB 3.33Å; W133-S136 PolarHBondContact O-N 3.12Å; W133-S136 PolarHBondContact O-OG 3.39Å; S136-H138 PolarHBondContact O-N 3.35Å
137K83.7Confident79.7Confident180 Ų18083.8 Ų83.878%0.78343%0.425SS*.SBendtrans-75-3.7178.1-61.3-173.1-179.7-178.10114.4K135 P146K135-K137 PolarHBondContact O-N 3.07Å; K137-P146 VanDerWaalsContact O-CD 3.26Å; K137-P146 WeakPolarHBondContact O-CD 3.47Å
138H86.8Confident79.2Confident84 Ų8484.7 Ų84.739%0.38943%0.43SS..SBendtrans-163.4163.7-178.451.6-103.9000110.4W123 S136 V140 F143 A144W123-H138 VanDerWaalsContact CZ2-C 3.42Å; W123-H138 WeakPolarHBondContact CZ2-O 3.45Å; S136-H138 PolarHBondContact O-N 3.35Å; H138-V140 PolarHBondContact O-N 2.69Å; H138-F143 WeakPolarHBondContact CB-O 3.24Å; H138-F143 AromaticContact CD2-CD1 3.64Å; H138-F143 AromaticContact NE2-CD1 3.93Å; H138-F143 AromaticContact NE2-CE1 3.97Å; H138-A144 CarbonylContact C-O 3.49Å; H138-A144 VanDerWaalsContact CA-O 3.29Å; H138-A144 WeakPolarHBondContact CA-O 3.29Å
139C80.7Confident77.9Confident0 Ų088.9 Ų88.90%046%0.456CS..  trans-66.4130.4175.8-177.60000110.3W123 C125 C128 N132 M141 C142 F143 A144W123-C139 HydrophobicContact CH2-CB 4.38Å; C125-C139 HydrophobicContact CB-CB 3.34Å; C128-C139 WeakPolarHBondContact CB-SG 3.34Å; C128-C139 WeakPolarHBondContact SG-CB 3.18Å; C128-C139 CovalentContact SG-SG 2.13Å; C128-C139 PolarHBondContact SG-SG 3.28Å; N132-C139 WeakPolarHBondContact OD1-CA 3.22Å; C139-M141 PolarHBondContact O-N 2.75Å; C139-M141 VanDerWaalsContact O-N 3.16Å; C139-M141 PolarHBondContact SG-N 3.26Å; C139-C142 HydrophobicContact CB-CB 3.43Å; C139-C142 VanDerWaalsContact CB-CB 3.43Å; C139-C142 WeakPolarHBondContact CB-SG 3.39Å; C139-C142 PolarHBondContact O-N 2.96Å; C139-C142 WeakPolarHBondContact SG-CB 3.3Å; C139-C142 PolarHBondContact SG-N 3.27Å; C139-F143 WeakPolarHBondContact O-CA 3.46Å; C139-F143 PolarHBondContact O-N 2.96Å; C139-A144 PolarHBondContact N-O 3.49Å
140V82Confident75.8Confident62 Ų6292.8 Ų92.838%0.37647%0.473SS..THydrogen-bonded Turntrans-61.1-24.7174.2-1800000111.8Y130 N132 H138Y130-V140 HydrophobicContact CD1-CB 4.38Å; Y130-V140 HydrophobicContact CE1-CB 3.85Å; Y130-V140 HydrophobicContact CE1-CG2 4.34Å; N132-V140 PolarHBondContact OD1-N 3.49Å; H138-V140 PolarHBondContact O-N 2.69Å
141M67.3Low73.6Confident129 Ų12993.5 Ų93.564%0.63549%0.491SS*.THydrogen-bonded Turntrans-98.4-20.9175.8-58.2-68.3-66.800115.3C128 Y130 C139C128-M141 HydrophobicContact CB-CB 4.17Å; Y130-M141 HydrophobicContact CD1-CG 3.99Å; Y130-M141 HydrophobicContact CD2-CG 3.28Å; Y130-M141 HydrophobicContact CD2-SD 4.15Å; Y130-M141 HydrophobicContact CE1-CG 4.39Å; Y130-M141 HydrophobicContact CE2-CG 3.74Å; Y130-M141 HydrophobicContact CE2-SD 4.11Å; Y130-M141 HydrophobicContact CG-CB 4.3Å; Y130-M141 HydrophobicContact CG-CG 3.4Å; Y130-M141 VanDerWaalsContact CG-CG 3.4Å; C139-M141 PolarHBondContact O-N 2.75Å; C139-M141 VanDerWaalsContact O-N 3.16Å; C139-M141 PolarHBondContact SG-N 3.26Å
142C77.5Confident71Confident34 Ų3494 Ų9423%0.2350%0.501CS..THydrogen-bonded Turntrans-128.2-18.4-161.4104.50000114.2C125 E127 C128 C139 A144C125-C142 WeakPolarHBondContact CB-SG 3.42Å; C125-C142 WeakPolarHBondContact SG-CB 3.48Å; C125-C142 CovalentContact SG-SG 2.11Å; C125-C142 PolarHBondContact SG-SG 3.46Å; E127-C142 HydrophobicContact CB-CB 4.4Å; C128-C142 HydrophobicContact CB-CB 3.3Å; C128-C142 VanDerWaalsContact SG-CB 3.56Å; C139-C142 HydrophobicContact CB-CB 3.43Å; C139-C142 VanDerWaalsContact CB-CB 3.43Å; C139-C142 WeakPolarHBondContact CB-SG 3.39Å; C139-C142 PolarHBondContact O-N 2.96Å; C139-C142 WeakPolarHBondContact SG-CB 3.3Å; C139-C142 PolarHBondContact SG-N 3.27Å; C142-A144 PolarHBondContact O-N 3.28Å; C142-A144 WeakPolarHBondContact SG-CB 3.38Å; C142-A144 PolarHBondContact SG-N 3.44Å
143F81.5Confident68.8Low94 Ų94100 Ų10041%0.41254%0.538SS..  trans54.8-4-170.8-59.5-81.4000116.9H138 C139 L864H138-F143 WeakPolarHBondContact CB-O 3.24Å; H138-F143 AromaticContact CD2-CD1 3.64Å; H138-F143 AromaticContact NE2-CD1 3.93Å; H138-F143 AromaticContact NE2-CE1 3.97Å; C139-F143 WeakPolarHBondContact O-CA 3.46Å; C139-F143 PolarHBondContact O-N 2.96Å; F143-L864 HydrophobicContact CE1-CD2 3.97Å; F143-L864 HydrophobicContact CE2-CD1 3.86Å; F143-L864 HydrophobicContact CE2-CD2 3.99Å; F143-L864 HydrophobicContact CZ-CD1 3.89Å; F143-L864 HydrophobicContact CZ-CD2 3.47Å; F143-L864 VanDerWaalsContact CZ-CD2 3.47Å; F143-L864 HydrophobicContact CZ-CG 4.32Å
144A80.1Confident66.2Low30 Ų3098.4 Ų98.425%0.24854%0.543CS..PPolyproline II helixtrans-65.9150.8169.700000111.7E127 H138 C139 C142E127-A144 HydrophobicContact CG-CB 3.63Å; H138-A144 CarbonylContact C-O 3.49Å; H138-A144 VanDerWaalsContact CA-O 3.29Å; H138-A144 WeakPolarHBondContact CA-O 3.29Å; C139-A144 PolarHBondContact N-O 3.49Å; C142-A144 PolarHBondContact O-N 3.28Å; C142-A144 WeakPolarHBondContact SG-CB 3.38Å; C142-A144 PolarHBondContact SG-N 3.44Å
145S82.2Confident64Low86 Ų86100.5 Ų100.560%0.60156%0.557SS**PPolyproline II helixtrans-68.9158-175.1-54.30000113.3
146P81.2Confident61.8Low47 Ų4799.6 Ų99.631%0.30556%0.556SS.*PPolyproline II helixtrans-58.1144.3167.2-16.926.2000111.9W123 K137 Q148W123-P146 HydrophobicContact CD2-CB 3.94Å; W123-P146 HydrophobicContact CD2-CG 4.3Å; W123-P146 HydrophobicContact CE3-CB 4.09Å; W123-P146 HydrophobicContact CG-CB 4.49Å; W123-P146 HydrophobicContact CH2-CB 4.19Å; W123-P146 HydrophobicContact CH2-CG 3.97Å; W123-P146 HydrophobicContact CZ2-CB 4.08Å; W123-P146 HydrophobicContact CZ2-CG 3.59Å; W123-P146 VanDerWaalsContact CZ3-CA 3.46Å; W123-P146 HydrophobicContact CZ3-CB 4.19Å; W123-P146 HydrophobicContact CZ3-CG 4.47Å; K137-P146 VanDerWaalsContact O-CD 3.26Å; K137-P146 WeakPolarHBondContact O-CD 3.47Å; P146-Q148 PolarHBondContact O-N 3.23Å
147P74.1Confident59.4Low68 Ų68105 Ų10544%0.44258%0.583SS.*PPolyproline II helixtrans-61.5127.8168.725.3-31.7000110.1I126I126-P147 HydrophobicContact CD1-CB 4.07Å
148Q64.6Low57.1Low169 Ų169102.4 Ų102.479%0.7958%0.583SS**PPolyproline II helixtrans-68.3135.9174.1-67.7-82.1-20.400109.8P146 I150P146-Q148 PolarHBondContact O-N 3.23Å; Q148-I150 PolarHBondContact O-N 3.21Å
149P48.1Very low54.3Low120 Ų120107 Ų10778%0.77960%0.604SS**PPolyproline II helixtrans-69.3120.9175.327.9-32.6000110.5
150I36.4Very low52.2Low153 Ų153112.3 Ų112.379%0.78564%0.641SS**PPolyproline II helixtrans-85.8117.2173.2-59.1174.3000107.9Q148 V152Q148-I150 PolarHBondContact O-N 3.21Å; I150-V152 HydrophobicContact CG2-CG2 4.37Å
151C30.4Very low50.1Low115 Ų115118.4 Ų118.478%0.77766%0.663SS**PPolyproline II helixtrans-77.3120.8166.339.90000109.7
152V32.2Very low48.6Very low115 Ų115119.3 Ų119.370%0.69767%0.67SS**  trans-104.4129.7163.9-177.20000106.1I150I150-V152 HydrophobicContact CG2-CG2 4.37Å
153V34.3Very low46.7Very low127 Ų127121.9 Ų121.977%0.7769%0.688SS**  trans-115.5117175.7-161.10000105.9
154D29.4Very low44.7Very low144 Ų144124.9 Ų124.977%0.7771%0.709SS**  trans-78134.5175.2-59.5-53.3000109.3
155C31.2Very low42.8Very low127 Ų127128.2 Ų128.286%0.85873%0.73SS**  trans-142.3131.6163.6-89.90000108.1
156E32.4Very low40.6Very low178 Ų178129.6 Ų129.683%0.83274%0.735SS**  trans-87.9154.3-171.9-65.9167.6126.300112.8
157D30.8Very low38.1Very low142 Ų142132.6 Ų132.676%0.75976%0.756SS**  trans75.4142.2142.6-71.1-10.5000125.7
158T34.9Very low36.3Very low127 Ų127135.5 Ų135.578%0.77977%0.772SS**  trans8196.215548.20000121.8
159E29.8Very low34.9Very low180 Ų180132.4 Ų132.484%0.84177%0.769SS**  trans25123131.8-53.7-169.1130.900121.1
160S34.8Very low34.4Very low112 Ų112131.7 Ų131.778%0.78377%0.767SS**  165.8129.791.751.40000116.7
161K38Very low34.3Very low189 Ų189131.4 Ų131.482%0.82277%0.767SS**  trans54.9133.9142.9-68.3176.7179.5169.50124.3
162N36.1Very low34.6Very low149 Ų149130.8 Ų130.880%0.79776%0.764SS**  trans74.1145.8147.5-66.31.5000119.8
163S38.8Very low34.7Very low87 Ų87130.5 Ų130.561%0.60877%0.768SS**  cis-178.2145-21.549.70000110.3
164N38.5Very low34.7Very low157 Ų157129.3 Ų129.384%0.8477%0.765SS**  trans66.4152159.8-57.8-10.5000117.3
165S39.7Very low34.8Very low100 Ų100129.9 Ų129.970%0.69977%0.767SS**  cis-161.1142.31.9-122.90000114.6
166T36.7Very low34.8Very low115 Ų115131.5 Ų131.571%0.70677%0.767SS**  trans43124.8139.51.80000125.8
167C28.6Very low34.7Very low110 Ų110128.4 Ų128.474%0.74376%0.764SS**  trans41.5155.2137.870.10000122.7
168V36.7Very low34.6Very low130 Ų130129.3 Ų129.379%0.78877%0.769SS**  cis-153.4162.241.2-179.10000112.7
169S35.3Very low34.6Very low103 Ų103134.2 Ų134.272%0.7277%0.773SS**  trans-52.4162.1-176.8-36.40000122.9
170S37.2Very low34.5Very low105 Ų105137.3 Ų137.373%0.73478%0.777SS**  trans108.7120.6132.1-64.10000122.5
171N35.3Very low34.4Very low147 Ų147137.9 Ų137.979%0.78678%0.778SS**  trans81.6105.5138.9-67.7-0.1000123.2
172S35.1Very low34.1Very low102 Ų102138.9 Ų138.971%0.71378%0.782SS**  93.3117.3119.5-61.10000121.9
173S35.5Very low33.9Very low110 Ų110136.4 Ų136.477%0.76978%0.777SS**  trans90.3123.4138.874.30000121.5
174S33.1Very low33.4Very low101 Ų101140.2 Ų140.271%0.70679%0.79SS**  trans84.3129.2148.179.30000120.8
175L33Very low33.1Very low157 Ų157139.9 Ų139.982%0.82279%0.787SS**  trans75.7129.2151.1-63.1156.7000120.1
176N31.6Very low32.7Very low160 Ų160139.7 Ų139.786%0.85679%0.786SS**  trans46.5106.8154.8-84.5-16.6000119.8
177C29.4Very low32.6Very low113 Ų113142.2 Ų142.276%0.76480%0.795SS**  -164.8138.511856.70000113.9R179C177-R179 PolarHBondContact O-N 3.07Å
178N29.3Very low33.4Very low162 Ų162144 Ų14487%0.86680%0.797SS**  trans-61117.2153.9-74.7-52.4000109.8
179R34.7Very low34Very low230 Ų230143 Ų14387%0.86879%0.791SS**  trans-173.7139.4151.4-105.2163.4-131.7-154.93.8111.4C177C177-R179 PolarHBondContact O-N 3.07Å
180R27.4Very low35.1Very low245 Ų245143.4 Ų143.493%0.92579%0.792SS**PPolyproline II helixtrans-64.9136.8173.2-64.5172.6176.7168.4-2.8111.2
181P31.7Very low36.5Very low124 Ų124140.9 Ų140.981%0.80577%0.77SS**PPolyproline II helixtrans-91.9150.1154.3-7.527.2000111.3
182K32.5Very low38.5Very low209 Ų209137.4 Ų137.491%0.90975%0.754SS**PPolyproline II helixtrans-78.7154.6-179.7-69.7172.8176.4176.80111.9
183S31.5Very low40.3Very low98 Ų98136.7 Ų136.769%0.68575%0.749SS**PPolyproline II helixtrans-68.3134.9175.750.40000113.4
184N29.1Very low42.3Very low167 Ų167135.7 Ų135.789%0.89373%0.728SS**  trans-13591.9148.7-94.6-14.1000106.8
185I32.7Very low44.8Very low150 Ų150132.5 Ų132.577%0.76970%0.703SS**  trans-94.6109.5175.5-66.3176.1000107.7
186S31.6Very low47.3Very low96 Ų96130.4 Ų130.467%0.67168%0.684SS**  trans-71144.4171.3470000110.9N188S186-N188 PolarHBondContact O-N 2.9Å
187N34.2Very low50Low167 Ų167125.3 Ų125.389%0.89366%0.657SS**SBendtrans-73.352.1-175-75.5-41.5000114.1
188N44.5Very low53Low147 Ų147120 Ų12079%0.78662%0.621SS**  trans-150.677.5175.4-91.9-34.5000111.4S186 P190S186-N188 PolarHBondContact O-N 2.9Å; N188-P190 WeakPolarHBondContact O-CD 3.38Å
189T49Very low56Low110 Ų110112.7 Ų112.768%0.67558%0.581SS**PPolyproline II helixtrans-75.5118.6163.3-37.30000107.9L191T189-L191 PolarHBondContact O-N 3.21Å
190P58.2Low58.6Low112 Ų112104.3 Ų104.373%0.72756%0.558SS**PPolyproline II helixtrans-66.5121.1-176.725.6-33.3000110.6N188 T192N188-P190 WeakPolarHBondContact O-CD 3.38Å; P190-T192 PolarHBondContact O-N 2.89Å
191L68.2Low61.6Low52 Ų5292.7 Ų92.727%0.27251%0.514SS..PPolyproline II helixtrans-61.7135.3175.9-71.495.1000110.5T189 D195 R196 L199T189-L191 PolarHBondContact O-N 3.21Å; L191-D195 HydrophobicContact CB-CB 4.15Å; L191-D195 HydrophobicContact CD2-CB 4.14Å; L191-R196 HydrophobicContact CB-CG 4.37Å; L191-R196 VanDerWaalsContact O-CZ 3.3Å; L191-R196 PolarHBondContact O-NH1 2.82Å; L191-R196 PolarHBondContact O-NH2 2.96Å; L191-L199 HydrophobicContact CD2-CD1 3.31Å
192T76.1Confident64.5Low74 Ų7486.8 Ų86.845%0.45448%0.476SS..PPolyproline II helixtrans-68.6159.6174.373.90000110.2P190 R194 D195 R196P190-T192 PolarHBondContact O-N 2.89Å; T192-R194 PolarHBondContact O-N 3.38Å; T192-R194 VanDerWaalsContact O-N 3.15Å; T192-R194 PolarHBondContact OG1-N 3.35Å; T192-D195 VanDerWaalsContact CB-OD2 3.3Å; T192-D195 WeakPolarHBondContact CB-OD2 3.48Å; T192-D195 WeakPolarHBondContact CG2-OD2 3.36Å; T192-D195 PolarHBondContact N-OD2 3.37Å; T192-D195 PolarHBondContact O-N 3.13Å; T192-D195 PolarHBondContact OG1-N 3.41Å; T192-D195 PolarHBondContact OG1-OD2 3.47Å; T192-R196 PolarHBondContact O-N 3.22Å
193S73.6Confident67.2Low87 Ų8777.6 Ų77.661%0.60844%0.438SS*.Hα-helixtrans-56.2-31.7175-52.10000112.4R196 L197S193-R196 PolarHBondContact O-N 2.97Å; S193-L197 WeakPolarHBondContact O-CG 3.38Å; S193-L197 PolarHBondContact O-N 3.25Å
194R77.4Confident69.9Low88 Ų8873.1 Ų73.133%0.33241%0.406SS..Hα-helixtrans-72.4-30.8175.6-172.3173.6176.581.3-2.1113T192 W198 G219 N220T192-R194 PolarHBondContact O-N 3.38Å; T192-R194 VanDerWaalsContact O-N 3.15Å; T192-R194 PolarHBondContact OG1-N 3.35Å; R194-W198 WeakPolarHBondContact O-CB 3.04Å; R194-W198 PolarHBondContact O-N 3.29Å; R194-G219 PolarHBondContact NH1-O 2.89Å; R194-N220 PolarHBondContact NH1-O 3.49Å; R194-N220 PolarHBondContact NH2-O 2.93Å
195D85.6Confident72.6Confident35 Ų3565.1 Ų65.119%0.18736%0.364CS..Hα-helixtrans-75.2-35.4173.8-54.3-42000111.4L191 T192 W198 L199 R225L191-D195 HydrophobicContact CB-CB 4.15Å; L191-D195 HydrophobicContact CD2-CB 4.14Å; T192-D195 VanDerWaalsContact CB-OD2 3.3Å; T192-D195 WeakPolarHBondContact CB-OD2 3.48Å; T192-D195 WeakPolarHBondContact CG2-OD2 3.36Å; T192-D195 PolarHBondContact N-OD2 3.37Å; T192-D195 PolarHBondContact O-N 3.13Å; T192-D195 PolarHBondContact OG1-N 3.41Å; T192-D195 PolarHBondContact OG1-OD2 3.47Å; D195-W198 WeakPolarHBondContact O-CB 3.15Å; D195-W198 PolarHBondContact O-N 3.47Å; D195-L199 WeakPolarHBondContact O-CB 3.44Å; D195-L199 WeakPolarHBondContact O-CG 3.43Å; D195-L199 PolarHBondContact O-N 3.45Å; D195-R225 IonicContact OD1-CZ 3.51Å; D195-R225 VanDerWaalsContact OD1-CZ 3.23Å; D195-R225 IonicContact OD1-NH1 3.69Å; D195-R225 PolarHBondContact OD1-NH1 2.85Å; D195-R225 IonicContact OD1-NH2 3.7Å; D195-R225 PolarHBondContact OD1-NH2 3.41Å
196R85.8Confident75.1Confident113 Ų11358.6 Ų58.643%0.42633%0.331SS..Hα-helixtrans-61.1-47.1170-63.7-170.9-170.290.85.9111.4L191 T192 S193 W198 L199 S200L191-R196 HydrophobicContact CB-CG 4.37Å; L191-R196 VanDerWaalsContact O-CZ 3.3Å; L191-R196 PolarHBondContact O-NH1 2.82Å; L191-R196 PolarHBondContact O-NH2 2.96Å; T192-R196 PolarHBondContact O-N 3.22Å; S193-R196 PolarHBondContact O-N 2.97Å; R196-W198 VanDerWaalsContact C-N 3.34Å; R196-W198 PolarHBondContact O-N 3.07Å; R196-L199 PolarHBondContact O-N 3.43Å; R196-S200 WeakPolarHBondContact O-CB 3.32Å; R196-S200 PolarHBondContact O-N 3.47Å
197L87.1Confident77.5Confident53 Ų5358.8 Ų58.828%0.27732%0.324SS..Hα-helixtrans-62-40174.9-71.3175.9000112.4S193 A201 R215 Y216S193-L197 WeakPolarHBondContact O-CG 3.38Å; S193-L197 PolarHBondContact O-N 3.25Å; L197-A201 WeakPolarHBondContact O-CB 3.4Å; L197-A201 PolarHBondContact O-N 3.47Å; L197-R215 HydrophobicContact CD2-CG 3.81Å; L197-Y216 HydrophobicContact CB-CD2 4.02Å
198W92.7Very high79.5Confident0 Ų052 Ų520%029%0.294CS..Hα-helixtrans-59.5-53.7174.9167.5-120.4000112.1R194 D195 R196 S200 A201 C202 Y216 R225 L227 E231 L309R194-W198 WeakPolarHBondContact O-CB 3.04Å; R194-W198 PolarHBondContact O-N 3.29Å; D195-W198 WeakPolarHBondContact O-CB 3.15Å; D195-W198 PolarHBondContact O-N 3.47Å; R196-W198 VanDerWaalsContact C-N 3.34Å; R196-W198 PolarHBondContact O-N 3.07Å; W198-S200 VanDerWaalsContact C-N 3.32Å; W198-S200 PolarHBondContact O-N 3.34Å; W198-A201 PolarHBondContact O-N 2.99Å; W198-C202 VanDerWaalsContact CE2-SG 3.56Å; W198-C202 VanDerWaalsContact CZ2-SG 3.54Å; W198-C202 PolarHBondContact O-N 2.92Å; W198-C202 PolarHBondContact O-SG 2.86Å; W198-Y216 HydrophobicContact CB-CD2 4.28Å; W198-Y216 HydrophobicContact CB-CE2 3.75Å; W198-Y216 HydrophobicContact CE3-CD1 4.45Å; W198-Y216 AromaticContact CE3-CE1 3.71Å; W198-Y216 HydrophobicContact CE3-CE1 3.71Å; W198-Y216 AromaticContact CE3-CE2 3.96Å; W198-Y216 HydrophobicContact CE3-CE2 3.96Å; W198-Y216 AromaticContact CE3-CZ 3.42Å; W198-Y216 VanDerWaalsContact CE3-CZ 3.42Å; W198-Y216 AromaticContact CZ3-CE1 3.99Å; W198-Y216 HydrophobicContact CZ3-CE1 3.99Å; W198-R225 HydrophobicContact CD2-CB 4.45Å; W198-R225 VanDerWaalsContact CD2-CD 3.44Å; W198-R225 HydrophobicContact CD2-CG 3.96Å; W198-R225 HydrophobicContact CE3-CB 4.19Å; W198-R225 HydrophobicContact CE3-CG 4.21Å; W198-R225 VanDerWaalsContact CG-NE 3.31Å; W198-R225 HydrophobicContact CH2-CB 3.86Å; W198-R225 HydrophobicContact CH2-CG 4.05Å; W198-R225 WeakPolarHBondContact CH2-O 3.23Å; W198-R225 HydrophobicContact CZ2-CB 4.13Å; W198-R225 HydrophobicContact CZ2-CG 3.79Å; W198-R225 WeakPolarHBondContact CZ2-O 3.23Å; W198-R225 HydrophobicContact CZ3-CB 3.85Å; W198-R225 HydrophobicContact CZ3-CG 4.22Å; W198-L227 HydrophobicContact CZ2-CD2 4.02Å; W198-L227 HydrophobicContact CZ2-CG 4Å; W198-E231 PolarHBondContact NE1-OE2 3.02Å; W198-L309 HydrophobicContact CE3-CD1 4.49Å; W198-L309 HydrophobicContact CE3-CG 4.49Å; W198-L309 HydrophobicContact CH2-CG 4.15Å; W198-L309 HydrophobicContact CZ3-CD1 3.87Å; W198-L309 HydrophobicContact CZ3-CD2 4.23Å; W198-L309 HydrophobicContact CZ3-CG 3.62Å
199L92.2Very high81.2Confident9 Ų948.7 Ų48.75%0.04728%0.276CS..Hα-helixtrans-64.4-38.8180-69.4176.8000111.9L191 D195 R196 C202 V203 L227 E231 Y234 L235L191-L199 HydrophobicContact CD2-CD1 3.31Å; D195-L199 WeakPolarHBondContact O-CB 3.44Å; D195-L199 WeakPolarHBondContact O-CG 3.43Å; D195-L199 PolarHBondContact O-N 3.45Å; R196-L199 PolarHBondContact O-N 3.43Å; L199-C202 PolarHBondContact O-N 2.91Å; L199-V203 WeakPolarHBondContact O-CG2 3.25Å; L199-V203 PolarHBondContact O-N 2.88Å; L199-L227 HydrophobicContact CD2-CD2 4.39Å; L199-E231 HydrophobicContact CD2-CB 3.8Å; L199-E231 HydrophobicContact CD2-CG 3.89Å; L199-Y234 HydrophobicContact CD1-CD1 3.83Å; L199-Y234 HydrophobicContact CD1-CE1 4.05Å; L199-Y234 HydrophobicContact CD1-CG 4.43Å; L199-L235 HydrophobicContact CB-CD2 4.42Å; L199-L235 HydrophobicContact CD2-CD1 3.85Å; L199-L235 HydrophobicContact CD2-CD2 3.98Å; L199-L235 HydrophobicContact CD2-CG 3.83Å
200S88.8Confident82.7Confident55 Ų5546.1 Ų46.139%0.38526%0.261SS..Hα-helixtrans-60.1-47.1174.4-175.50000110.9R196 W198 C202 V203 A204 P212R196-S200 WeakPolarHBondContact O-CB 3.32Å; R196-S200 PolarHBondContact O-N 3.47Å; W198-S200 VanDerWaalsContact C-N 3.32Å; W198-S200 PolarHBondContact O-N 3.34Å; S200-C202 PolarHBondContact O-N 2.97Å; S200-V203 PolarHBondContact O-N 2.68Å; S200-A204 WeakPolarHBondContact O-CB 3.32Å; S200-A204 PolarHBondContact O-N 3.02Å; S200-P212 WeakPolarHBondContact OG-CB 3.5Å
201A90.7Very high83.7Confident0 Ų043.7 Ų43.70%025%0.25CC..Hα-helixtrans-61.9-39.3173.300000112.9L197 W198 V203 A204 V205 I213 Y216 L309L197-A201 WeakPolarHBondContact O-CB 3.4Å; L197-A201 PolarHBondContact O-N 3.47Å; W198-A201 PolarHBondContact O-N 2.99Å; A201-V203 VanDerWaalsContact C-N 3.35Å; A201-V203 PolarHBondContact O-N 3.4Å; A201-A204 PolarHBondContact O-N 3.37Å; A201-V205 WeakPolarHBondContact O-CG2 3.1Å; A201-V205 PolarHBondContact O-N 3.05Å; A201-I213 HydrophobicContact CB-CG1 4.45Å; A201-Y216 HydrophobicContact CB-CD1 4.22Å; A201-Y216 HydrophobicContact CB-CG 3.96Å; A201-L309 HydrophobicContact CB-CD1 4.42Å; A201-L309 HydrophobicContact CB-CD2 4.04Å
202C92.4Very high84.4Confident0 Ų042.1 Ų42.10%024%0.242CC..Hα-helixtrans-63-37.2175.1-68.20000113.3W198 L199 S200 L227 L235 L312W198-C202 VanDerWaalsContact CE2-SG 3.56Å; W198-C202 VanDerWaalsContact CZ2-SG 3.54Å; W198-C202 PolarHBondContact O-N 2.92Å; W198-C202 PolarHBondContact O-SG 2.86Å; L199-C202 PolarHBondContact O-N 2.91Å; S200-C202 PolarHBondContact O-N 2.97Å; C202-L227 HydrophobicContact CB-CD2 4.45Å; C202-L235 HydrophobicContact CB-CD1 4.05Å; C202-L312 HydrophobicContact CB-CD1 3.77Å
203V89.4Confident84.7Confident17 Ų1738.6 Ų38.610%0.10322%0.221CC..Hα-helixtrans-70.4-43.2172.5172.90000110.7L199 S200 A201 V205 V206 N207 L235 Y238 M239L199-V203 WeakPolarHBondContact O-CG2 3.25Å; L199-V203 PolarHBondContact O-N 2.88Å; S200-V203 PolarHBondContact O-N 2.68Å; A201-V203 VanDerWaalsContact C-N 3.35Å; A201-V203 PolarHBondContact O-N 3.4Å; V203-V205 VanDerWaalsContact C-N 3.26Å; V203-V205 PolarHBondContact O-N 2.86Å; V203-V206 WeakPolarHBondContact O-CB 3.46Å; V203-V206 PolarHBondContact O-N 2.86Å; V203-N207 PolarHBondContact O-N 2.97Å; V203-L235 HydrophobicContact CG2-CD2 3.49Å; V203-L235 VanDerWaalsContact CG2-CD2 3.49Å; V203-Y238 HydrophobicContact CG1-CE1 4.17Å; V203-Y238 HydrophobicContact CG2-CD1 4.25Å; V203-Y238 HydrophobicContact CG2-CE1 4.3Å; V203-M239 HydrophobicContact CG1-CE 4.2Å
204A87.8Confident85Confident3 Ų338 Ų383%0.02521%0.208CC..Hα-helixtrans-60.3-35.4-179.700000112.3S200 A201 V206 N207 G208 D209 P212 I213S200-A204 WeakPolarHBondContact O-CB 3.32Å; S200-A204 PolarHBondContact O-N 3.02Å; A201-A204 PolarHBondContact O-N 3.37Å; A204-V206 VanDerWaalsContact C-N 3.31Å; A204-V206 PolarHBondContact O-N 3.09Å; A204-N207 PolarHBondContact O-N 2.91Å; A204-G208 WeakPolarHBondContact O-CA 3.44Å; A204-G208 PolarHBondContact O-N 3.44Å; A204-D209 HydrophobicContact CB-CB 4.06Å; A204-D209 WeakPolarHBondContact CB-O 3.38Å; A204-D209 PolarHBondContact O-N 3.36Å; A204-P212 HydrophobicContact CB-CB 3.77Å; A204-P212 HydrophobicContact CB-CG 3.77Å; A204-I213 HydrophobicContact CB-CD1 4.4Å; A204-I213 HydrophobicContact CB-CG1 4.09Å
205V87.2Confident84.9Confident0 Ų041.1 Ų41.10%022%0.22CC..Hα-helixtrans-60.9-36.7171.8173.10000112.5A201 V203 I213 L309 L312 A313 R318 L321 F325A201-V205 WeakPolarHBondContact O-CG2 3.1Å; A201-V205 PolarHBondContact O-N 3.05Å; V203-V205 VanDerWaalsContact C-N 3.26Å; V203-V205 PolarHBondContact O-N 2.86Å; V205-I213 HydrophobicContact CG2-CD1 3.59Å; V205-I213 HydrophobicContact CG2-CG1 4.02Å; V205-L309 HydrophobicContact CG2-CD2 3.62Å; V205-L312 HydrophobicContact CB-CB 4.3Å; V205-L312 HydrophobicContact CG1-CB 3.61Å; V205-A313 HydrophobicContact CG1-CB 4Å; V205-R318 WeakPolarHBondContact O-CG 3.44Å; V205-L321 HydrophobicContact CB-CD1 4.25Å; V205-L321 HydrophobicContact CG1-CD1 4.13Å; V205-L321 HydrophobicContact CG2-CD1 4.16Å; V205-F325 HydrophobicContact CG2-CE1 4.47Å; V205-F325 HydrophobicContact CG2-CZ 3.79Å
206V85.1Confident84.8Confident13 Ų1339.6 Ų39.68%0.07921%0.212CC..Hα-helixtrans-70.5-46.9175.5-178.40000110.2V203 A204 G208 F303 F316 R318V203-V206 WeakPolarHBondContact O-CB 3.46Å; V203-V206 PolarHBondContact O-N 2.86Å; A204-V206 VanDerWaalsContact C-N 3.31Å; A204-V206 PolarHBondContact O-N 3.09Å; V206-G208 VanDerWaalsContact C-N 3.33Å; V206-G208 PolarHBondContact O-N 2.93Å; V206-F303 HydrophobicContact CG2-CE1 4.1Å; V206-F303 HydrophobicContact CG2-CE2 4.45Å; V206-F303 HydrophobicContact CG2-CZ 3.58Å; V206-F316 HydrophobicContact CG1-CD1 3.94Å; V206-F316 HydrophobicContact CG1-CE1 3.8Å; V206-F316 HydrophobicContact CG1-CZ 4.28Å; V206-F316 HydrophobicContact CG2-CD1 4.23Å; V206-F316 HydrophobicContact CG2-CD2 3.84Å; V206-F316 HydrophobicContact CG2-CE1 4Å; V206-F316 HydrophobicContact CG2-CE2 3.6Å; V206-F316 HydrophobicContact CG2-CG 4.16Å; V206-F316 HydrophobicContact CG2-CZ 3.68Å; V206-R318 PolarHBondContact O-NH2 3.24Å
207N82.1Confident84.5Confident99 Ų9934.2 Ų34.253%0.52919%0.192SC..Hα-helixtrans-72.5-23.8-175.2-64.82.4000113.4V203 A204 R318V203-N207 PolarHBondContact O-N 2.97Å; A204-N207 PolarHBondContact O-N 2.91Å; N207-R318 PolarHBondContact O-NH2 3.44Å
208G76.2Confident83.8Confident26 Ų2635.7 Ų35.727%0.26820%0.2SC..THydrogen-bonded Turntrans85.521.2-172.800000114A204 V206A204-G208 WeakPolarHBondContact O-CA 3.44Å; A204-G208 PolarHBondContact O-N 3.44Å; V206-G208 VanDerWaalsContact C-N 3.33Å; V206-G208 PolarHBondContact O-N 2.93Å
209D79.7Confident82.7Confident76 Ų7637 Ų3741%0.40621%0.213SC..  trans-91.3123.8178.8179.68.3000110.8A204 A211 P212 I213A204-D209 HydrophobicContact CB-CB 4.06Å; A204-D209 WeakPolarHBondContact CB-O 3.38Å; A204-D209 PolarHBondContact O-N 3.36Å; D209-A211 PolarHBondContact OD1-N 2.93Å; D209-P212 VanDerWaalsContact OD1-CD 3.24Å; D209-P212 WeakPolarHBondContact OD1-CD 3.01Å; D209-P212 WeakPolarHBondContact OD2-CD 3.36Å; D209-P212 VanDerWaalsContact OD2-CG 3.29Å; D209-P212 WeakPolarHBondContact OD2-CG 3.49Å; D209-I213 WeakPolarHBondContact O-CD1 3.32Å
210V81Confident81.6Confident57 Ų5738.2 Ų38.235%0.34522%0.22SC..SBendtrans-82.6-32.4-176.4170.50000112I213 E214 L321 L324V210-I213 WeakPolarHBondContact O-CB 3.45Å; V210-I213 PolarHBondContact O-N 3.13Å; V210-E214 HydrophobicContact CG1-CG 3.81Å; V210-E214 PolarHBondContact O-N 3.16Å; V210-L321 HydrophobicContact CG2-CD2 4.09Å; V210-L324 HydrophobicContact CB-CD2 4.43Å; V210-L324 HydrophobicContact CG1-CD1 4.46Å; V210-L324 HydrophobicContact CG1-CD2 3.76Å; V210-L324 HydrophobicContact CG2-CD2 4.2Å
211A77.6Confident81Confident60 Ų6035.8 Ų35.850%0.49620%0.203SC..Hα-helixtrans-66.3-40.2-169.400000113.9D209 R215D209-A211 PolarHBondContact OD1-N 2.93Å; A211-R215 VanDerWaalsContact O-CB 3.26Å; A211-R215 WeakPolarHBondContact O-CB 3.38Å; A211-R215 PolarHBondContact O-N 3.21Å
212P83Confident80.4Confident19 Ų1944.2 Ų44.212%0.12324%0.235CC..Hα-helixtrans-70.5-30.7174.2-1932.3000113.2S200 A204 D209 Y216S200-P212 WeakPolarHBondContact OG-CB 3.5Å; A204-P212 HydrophobicContact CB-CB 3.77Å; A204-P212 HydrophobicContact CB-CG 3.77Å; D209-P212 VanDerWaalsContact OD1-CD 3.24Å; D209-P212 WeakPolarHBondContact OD1-CD 3.01Å; D209-P212 WeakPolarHBondContact OD2-CD 3.36Å; D209-P212 VanDerWaalsContact OD2-CG 3.29Å; D209-P212 WeakPolarHBondContact OD2-CG 3.49Å; P212-Y216 WeakPolarHBondContact O-CB 3.42Å; P212-Y216 PolarHBondContact O-N 2.99Å
213I83.3Confident79.9Confident0 Ų044.9 Ų44.90%024%0.238CC..Hα-helixtrans-63.9-52.2173.7-72.6167.4000109.7A201 A204 V205 D209 V210 R215 Y216 I217 L321 L324 F325A201-I213 HydrophobicContact CB-CG1 4.45Å; A204-I213 HydrophobicContact CB-CD1 4.4Å; A204-I213 HydrophobicContact CB-CG1 4.09Å; V205-I213 HydrophobicContact CG2-CD1 3.59Å; V205-I213 HydrophobicContact CG2-CG1 4.02Å; D209-I213 WeakPolarHBondContact O-CD1 3.32Å; V210-I213 WeakPolarHBondContact O-CB 3.45Å; V210-I213 PolarHBondContact O-N 3.13Å; I213-R215 PolarHBondContact O-N 3.4Å; I213-Y216 PolarHBondContact O-N 3.12Å; I213-I217 HydrophobicContact CG2-CD1 3.64Å; I213-I217 VanDerWaalsContact O-CG1 3.32Å; I213-I217 WeakPolarHBondContact O-CG1 3.4Å; I213-I217 PolarHBondContact O-N 2.85Å; I213-L321 HydrophobicContact CD1-CD1 3.73Å; I213-L321 HydrophobicContact CD1-CD2 3.9Å; I213-L321 HydrophobicContact CD1-CG 4.4Å; I213-L324 HydrophobicContact CG2-CD2 3.83Å; I213-F325 HydrophobicContact CD1-CE1 4.3Å; I213-F325 HydrophobicContact CG2-CD1 4.14Å; I213-F325 HydrophobicContact CG2-CE1 3.65Å
214E79Confident79.5Confident74 Ų7452.2 Ų52.235%0.34627%0.271SS..Hα-helixtrans-58.7-48.6175.5-73.1-172.415700110.8V210 Y216 I217 L218 L328V210-E214 HydrophobicContact CG1-CG 3.81Å; V210-E214 PolarHBondContact O-N 3.16Å; E214-Y216 VanDerWaalsContact C-N 3.29Å; E214-Y216 PolarHBondContact O-N 2.8Å; E214-I217 PolarHBondContact O-N 3.24Å; E214-L218 HydrophobicContact CB-CD1 4.23Å; E214-L218 WeakPolarHBondContact O-CB 3.1Å; E214-L218 WeakPolarHBondContact O-CG 3.34Å; E214-L218 PolarHBondContact O-N 3.18Å; E214-L328 HydrophobicContact CG-CD1 4.12Å
215R76.5Confident79.4Confident155 Ų15554.7 Ų54.759%0.58528%0.28SS*.Hα-helixtrans-59.1-37.1178.1-172.4-179.4-89.8176.7-9.5112.4L197 A211 I213 G219L197-R215 HydrophobicContact CD2-CG 3.81Å; A211-R215 VanDerWaalsContact O-CB 3.26Å; A211-R215 WeakPolarHBondContact O-CB 3.38Å; A211-R215 PolarHBondContact O-N 3.21Å; I213-R215 PolarHBondContact O-N 3.4Å; R215-G219 WeakPolarHBondContact O-CA 3.36Å; R215-G219 PolarHBondContact O-N 3.13Å
216Y83.4Confident79.6Confident2 Ų259.2 Ų59.21%0.00830%0.3CS..Hα-helixtrans-67.9-50.4173.7176.4-106.6000112.3L197 W198 A201 P212 I213 E214 G219 G221 R222 L309L197-Y216 HydrophobicContact CB-CD2 4.02Å; W198-Y216 HydrophobicContact CB-CD2 4.28Å; W198-Y216 HydrophobicContact CB-CE2 3.75Å; W198-Y216 HydrophobicContact CE3-CD1 4.45Å; W198-Y216 AromaticContact CE3-CE1 3.71Å; W198-Y216 HydrophobicContact CE3-CE1 3.71Å; W198-Y216 AromaticContact CE3-CE2 3.96Å; W198-Y216 HydrophobicContact CE3-CE2 3.96Å; W198-Y216 AromaticContact CE3-CZ 3.42Å; W198-Y216 VanDerWaalsContact CE3-CZ 3.42Å; W198-Y216 AromaticContact CZ3-CE1 3.99Å; W198-Y216 HydrophobicContact CZ3-CE1 3.99Å; A201-Y216 HydrophobicContact CB-CD1 4.22Å; A201-Y216 HydrophobicContact CB-CG 3.96Å; P212-Y216 WeakPolarHBondContact O-CB 3.42Å; P212-Y216 PolarHBondContact O-N 2.99Å; I213-Y216 PolarHBondContact O-N 3.12Å; E214-Y216 VanDerWaalsContact C-N 3.29Å; E214-Y216 PolarHBondContact O-N 2.8Å; Y216-G219 CarbonylContact O-C 3.43Å; Y216-G219 WeakPolarHBondContact O-CA 3.48Å; Y216-G219 PolarHBondContact O-N 3.39Å; Y216-G219 VanDerWaalsContact O-N 3.15Å; Y216-G221 VanDerWaalsContact CE1-CA 3.49Å; Y216-G221 WeakPolarHBondContact O-CA 3.19Å; Y216-G221 PolarHBondContact O-N 3.48Å; Y216-R222 PolarHBondContact OH-N 3.08Å; Y216-R222 VanDerWaalsContact OH-N 3.07Å; Y216-R222 PolarHBondContact OH-O 3.26Å; Y216-R222 VanDerWaalsContact OH-O 3.05Å; Y216-L309 HydrophobicContact CD1-CD1 3.73Å; Y216-L309 HydrophobicContact CE1-CD1 3.82Å
217I79.7Confident79.8Confident1 Ų158.8 Ų58.81%0.00530%0.297CS..Hα-helixtrans-69.4-41.5-175.4-61.5165.8000110.8I213 E214 G219 N220 I223 F325 L328 Q332I213-I217 HydrophobicContact CG2-CD1 3.64Å; I213-I217 VanDerWaalsContact O-CG1 3.32Å; I213-I217 WeakPolarHBondContact O-CG1 3.4Å; I213-I217 PolarHBondContact O-N 2.85Å; E214-I217 PolarHBondContact O-N 3.24Å; I217-G219 VanDerWaalsContact C-N 3.31Å; I217-N220 PolarHBondContact O-N 3.33Å; I217-I223 HydrophobicContact CD1-CD1 3.71Å; I217-I223 HydrophobicContact CD1-CG1 4.04Å; I217-I223 HydrophobicContact CG1-CD1 3.8Å; I217-I223 HydrophobicContact CG1-CG1 3.84Å; I217-I223 HydrophobicContact CG2-CD1 4.02Å; I217-F325 HydrophobicContact CD1-CD1 4.06Å; I217-L328 HydrophobicContact CB-CD1 4.31Å; I217-L328 HydrophobicContact CD1-CB 4.29Å; I217-L328 HydrophobicContact CD1-CD1 3.59Å; I217-L328 HydrophobicContact CG2-CB 3.83Å; I217-L328 HydrophobicContact CG2-CD1 4.4Å; I217-Q332 PolarHBondContact O-NE2 3.06Å
218L71.9Confident80.1Confident84 Ų8456.9 Ų56.944%0.4429%0.289SS..Hα-helixtrans-63.1-37170.2-65.5170.7000110.8E214 N220 R565E214-L218 HydrophobicContact CB-CD1 4.23Å; E214-L218 WeakPolarHBondContact O-CB 3.1Å; E214-L218 WeakPolarHBondContact O-CG 3.34Å; E214-L218 PolarHBondContact O-N 3.18Å; L218-N220 PolarHBondContact O-N 3.49Å; L218-N220 PolarHBondContact O-OD1 2.97Å; L218-R565 VanDerWaalsContact C-NH2 3.34Å; L218-R565 VanDerWaalsContact CA-NH2 3.3Å; L218-R565 PolarHBondContact O-NH1 3.18Å; L218-R565 PolarHBondContact O-NH2 2.81Å
219G70.2Confident80.5Confident28 Ų2863.3 Ų63.329%0.28931%0.31SS..THydrogen-bonded Turntrans-66.323.7169.400000115.3R194 R215 Y216 I217 G221R194-G219 PolarHBondContact NH1-O 2.89Å; R215-G219 WeakPolarHBondContact O-CA 3.36Å; R215-G219 PolarHBondContact O-N 3.13Å; Y216-G219 CarbonylContact O-C 3.43Å; Y216-G219 WeakPolarHBondContact O-CA 3.48Å; Y216-G219 PolarHBondContact O-N 3.39Å; Y216-G219 VanDerWaalsContact O-N 3.15Å; I217-G219 VanDerWaalsContact C-N 3.31Å; G219-G221 PolarHBondContact O-N 3.45Å; G219-G221 VanDerWaalsContact O-N 3.17Å
220N68.9Low80.8Confident34 Ų3464.5 Ų64.518%0.18231%0.313CS..THydrogen-bonded Turntrans54.527.9-173.7-60.629.3000112.4R194 I217 L218 Q453 P456 R565R194-N220 PolarHBondContact NH1-O 3.49Å; R194-N220 PolarHBondContact NH2-O 2.93Å; I217-N220 PolarHBondContact O-N 3.33Å; L218-N220 PolarHBondContact O-N 3.49Å; L218-N220 PolarHBondContact O-OD1 2.97Å; N220-Q453 WeakPolarHBondContact ND2-CA 3.39Å; N220-Q453 PolarHBondContact ND2-O 2.94Å; N220-P456 HydrophobicContact CB-CG 4.39Å; N220-R565 PolarHBondContact OD1-NH1 3.12Å
221G76.7Confident81.3Confident3 Ų362.5 Ų62.53%0.03130%0.299CS..  trans-60135.5177.700000111.5Y216 G219 I223Y216-G221 VanDerWaalsContact CE1-CA 3.49Å; Y216-G221 WeakPolarHBondContact O-CA 3.19Å; Y216-G221 PolarHBondContact O-N 3.48Å; G219-G221 PolarHBondContact O-N 3.45Å; G219-G221 VanDerWaalsContact O-N 3.17Å; G221-I223 PolarHBondContact O-N 3.11Å
222R77.3Confident81.9Confident177 Ų17760 Ų6067%0.66828%0.278SS*.  trans-84.9113.5178.4-67.5-175.4-175171.83.2108.4Y216 E224 R225Y216-R222 PolarHBondContact OH-N 3.08Å; Y216-R222 VanDerWaalsContact OH-N 3.07Å; Y216-R222 PolarHBondContact OH-O 3.26Å; Y216-R222 VanDerWaalsContact OH-O 3.05Å; R222-E224 PolarHBondContact O-N 3.4Å; R222-R225 HydrophobicContact CB-CB 4.34Å; R222-R225 WeakPolarHBondContact O-CB 3.47Å; R222-R225 PolarHBondContact O-N 2.72Å
223I81.8Confident82Confident15 Ų1566.9 Ų66.98%0.07730%0.302CS..THydrogen-bonded Turntrans-65.3-28.2178-68.8159.1000111.6I217 G221 R225 T308 L309 V310 I329I217-I223 HydrophobicContact CD1-CD1 3.71Å; I217-I223 HydrophobicContact CD1-CG1 4.04Å; I217-I223 HydrophobicContact CG1-CD1 3.8Å; I217-I223 HydrophobicContact CG1-CG1 3.84Å; I217-I223 HydrophobicContact CG2-CD1 4.02Å; G221-I223 PolarHBondContact O-N 3.11Å; I223-R225 PolarHBondContact O-N 3.42Å; I223-T308 WeakPolarHBondContact O-CB 3.37Å; I223-L309 HydrophobicContact CG1-CD1 4.39Å; I223-L309 HydrophobicContact CG2-CB 4.42Å; I223-V310 HydrophobicContact CG2-CG2 3.77Å; I223-I329 HydrophobicContact CB-CD1 4.44Å; I223-I329 HydrophobicContact CD1-CD1 3.73Å; I223-I329 HydrophobicContact CD1-CG1 3.32Å; I223-I329 HydrophobicContact CG2-CD1 4.17Å
224E80.6Confident82.1Confident170 Ų17071.4 Ų71.479%0.79432%0.319SS*.THydrogen-bonded Turntrans-72.2-3.6169.8-63.1-175.4-157.100114.7R222 K226R222-E224 PolarHBondContact O-N 3.4Å; E224-K226 PolarHBondContact O-N 2.84Å
225R85.8Confident82.6Confident56 Ų5667.9 Ų67.921%0.21130%0.303CS..  trans-58136.8173.3-179.7173.2173.3157.34108.2D195 W198 R222 I223 E231 T308D195-R225 IonicContact OD1-CZ 3.51Å; D195-R225 VanDerWaalsContact OD1-CZ 3.23Å; D195-R225 IonicContact OD1-NH1 3.69Å; D195-R225 PolarHBondContact OD1-NH1 2.85Å; D195-R225 IonicContact OD1-NH2 3.7Å; D195-R225 PolarHBondContact OD1-NH2 3.41Å; W198-R225 HydrophobicContact CD2-CB 4.45Å; W198-R225 VanDerWaalsContact CD2-CD 3.44Å; W198-R225 HydrophobicContact CD2-CG 3.96Å; W198-R225 HydrophobicContact CE3-CB 4.19Å; W198-R225 HydrophobicContact CE3-CG 4.21Å; W198-R225 VanDerWaalsContact CG-NE 3.31Å; W198-R225 HydrophobicContact CH2-CB 3.86Å; W198-R225 HydrophobicContact CH2-CG 4.05Å; W198-R225 WeakPolarHBondContact CH2-O 3.23Å; W198-R225 HydrophobicContact CZ2-CB 4.13Å; W198-R225 HydrophobicContact CZ2-CG 3.79Å; W198-R225 WeakPolarHBondContact CZ2-O 3.23Å; W198-R225 HydrophobicContact CZ3-CB 3.85Å; W198-R225 HydrophobicContact CZ3-CG 4.22Å; R222-R225 HydrophobicContact CB-CB 4.34Å; R222-R225 WeakPolarHBondContact O-CB 3.47Å; R222-R225 PolarHBondContact O-N 2.72Å; I223-R225 PolarHBondContact O-N 3.42Å; R225-E231 IonicContact CZ-OE1 3.18Å; R225-E231 IonicContact NE-OE1 2.91Å; R225-E231 IonicContact NH2-OE1 2.73Å; R225-E231 PolarHBondContact NH2-OE1 3.27Å; R225-T308 WeakPolarHBondContact O-CA 3.27Å
226K91.3Very high83.1Confident95 Ų9561.8 Ų61.841%0.41328%0.282SS..  trans-109138-179.2-67.1-176.9177.1-176.70110.1E224 T228 G306 W307 T308E224-K226 PolarHBondContact O-N 2.84Å; K226-T228 PolarHBondContact O-N 3.42Å; K226-G306 WeakPolarHBondContact CD-O 3.17Å; K226-G306 WeakPolarHBondContact CG-O 3.5Å; K226-W307 WeakPolarHBondContact CA-O 3.34Å; K226-T308 HydrophobicContact CG-CG2 3.94Å
227L90.1Very high83Confident3 Ų365.4 Ų65.42%0.01631%0.307CS..  trans-58.4130.5175.6-79.3173.6000111.4W198 L199 C202 E231 L235 F303 S305 G306 W307 L312W198-L227 HydrophobicContact CZ2-CD2 4.02Å; W198-L227 HydrophobicContact CZ2-CG 4Å; L199-L227 HydrophobicContact CD2-CD2 4.39Å; C202-L227 HydrophobicContact CB-CD2 4.45Å; L227-E231 VanDerWaalsContact CA-OE2 3.29Å; L227-E231 WeakPolarHBondContact CA-OE2 3.46Å; L227-E231 HydrophobicContact CD2-CB 3.94Å; L227-L235 HydrophobicContact CD1-CD1 4.04Å; L227-L235 HydrophobicContact CD2-CD1 3.51Å; L227-L235 HydrophobicContact CG-CD1 4.47Å; L227-F303 HydrophobicContact CD1-CD1 3.65Å; L227-F303 HydrophobicContact CD1-CE1 4.36Å; L227-S305 CarbonylContact O-C 3.47Å; L227-S305 WeakPolarHBondContact O-CA 3.34Å; L227-S305 WeakPolarHBondContact O-CB 3.48Å; L227-G306 PolarHBondContact O-N 3.32Å; L227-W307 HydrophobicContact CD1-CB 4.41Å; L227-W307 PolarHBondContact N-O 3.22Å; L227-L312 HydrophobicContact CD1-CD1 4.21Å; L227-L312 HydrophobicContact CD1-CD2 4.32Å
228T88.9Confident83Confident60 Ų6069 Ų6937%0.36832%0.322SS..  trans-83.5162175.777.60000112.1K226 H230 E231 C232K226-T228 PolarHBondContact O-N 3.42Å; T228-H230 PolarHBondContact O-N 3.12Å; T228-H230 VanDerWaalsContact O-N 3.12Å; T228-H230 PolarHBondContact OG1-N 3.38Å; T228-E231 HydrophobicContact CG2-CG 4.45Å; T228-E231 PolarHBondContact N-OE2 3.02Å; T228-E231 PolarHBondContact O-N 2.84Å; T228-E231 VanDerWaalsContact OG1-CG 3.29Å; T228-E231 WeakPolarHBondContact OG1-CG 3.38Å; T228-E231 PolarHBondContact OG1-N 2.64Å; T228-E231 VanDerWaalsContact OG1-N 3.13Å; T228-C232 PolarHBondContact O-N 3.1Å; T228-C232 PolarHBondContact O-SG 3.06Å
229K84.9Confident83Confident161 Ų16166.4 Ų66.470%0.731%0.308SS*.THydrogen-bonded Turntrans-61.8-17.1173.8-69.7-175.1-179.4-179.80113.8R233K229-R233 PolarHBondContact O-NE 3.02Å
230H85.8Confident82.5Confident101 Ų10170.5 Ų70.547%0.46832%0.319SS..THydrogen-bonded Turntrans-87.4-46.7175-17763.7000110.7T228 C232 R233 Y234T228-H230 PolarHBondContact O-N 3.12Å; T228-H230 VanDerWaalsContact O-N 3.12Å; T228-H230 PolarHBondContact OG1-N 3.38Å; H230-C232 VanDerWaalsContact C-N 3.32Å; H230-C232 PolarHBondContact O-N 3.26Å; H230-R233 WeakPolarHBondContact O-CB 3.22Å; H230-R233 PolarHBondContact O-N 2.84Å; H230-Y234 PolarHBondContact O-N 3.1Å
231E91.4Very high81.9Confident14 Ų1472.4 Ų72.47%0.06534%0.335CS..Hα-helixtrans-56.1-43.4173.5-69.7170.3179.100112.1W198 L199 R225 L227 T228 R233 Y234 L235W198-E231 PolarHBondContact NE1-OE2 3.02Å; L199-E231 HydrophobicContact CD2-CB 3.8Å; L199-E231 HydrophobicContact CD2-CG 3.89Å; R225-E231 IonicContact CZ-OE1 3.18Å; R225-E231 IonicContact NE-OE1 2.91Å; R225-E231 IonicContact NH2-OE1 2.73Å; R225-E231 PolarHBondContact NH2-OE1 3.27Å; L227-E231 VanDerWaalsContact CA-OE2 3.29Å; L227-E231 WeakPolarHBondContact CA-OE2 3.46Å; L227-E231 HydrophobicContact CD2-CB 3.94Å; T228-E231 HydrophobicContact CG2-CG 4.45Å; T228-E231 PolarHBondContact N-OE2 3.02Å; T228-E231 PolarHBondContact O-N 2.84Å; T228-E231 VanDerWaalsContact OG1-CG 3.29Å; T228-E231 WeakPolarHBondContact OG1-CG 3.38Å; T228-E231 PolarHBondContact OG1-N 2.64Å; T228-E231 VanDerWaalsContact OG1-N 3.13Å; E231-R233 VanDerWaalsContact C-N 3.29Å; E231-R233 PolarHBondContact O-N 2.95Å; E231-Y234 WeakPolarHBondContact O-CB 3.48Å; E231-Y234 PolarHBondContact O-N 3.05Å; E231-L235 WeakPolarHBondContact O-CG 3.46Å; E231-L235 PolarHBondContact O-N 3.06Å
232C89.4Confident80.6Confident8 Ų876.4 Ų76.45%0.05436%0.359CS..Hα-helixtrans-63.4-32.2175.2-64.70000113.3T228 H230 N236 F303 R304 S305T228-C232 PolarHBondContact O-N 3.1Å; T228-C232 PolarHBondContact O-SG 3.06Å; H230-C232 VanDerWaalsContact C-N 3.32Å; H230-C232 PolarHBondContact O-N 3.26Å; C232-N236 WeakPolarHBondContact O-CB 3.46Å; C232-N236 PolarHBondContact O-N 2.99Å; C232-N236 PolarHBondContact O-ND2 3.43Å; C232-F303 HydrophobicContact CB-CB 4.31Å; C232-R304 PolarHBondContact SG-O 2.79Å; C232-S305 PolarHBondContact SG-N 3.33Å
233R84.9Confident79Confident163 Ų16372.8 Ų72.862%0.61536%0.357SS*.Hα-helixtrans-69.4-43.6174.8-80.5178.5-76.6152.5-7.5110.5K229 H230 E231 S237K229-R233 PolarHBondContact O-NE 3.02Å; H230-R233 WeakPolarHBondContact O-CB 3.22Å; H230-R233 PolarHBondContact O-N 2.84Å; E231-R233 VanDerWaalsContact C-N 3.29Å; E231-R233 PolarHBondContact O-N 2.95Å; R233-S237 WeakPolarHBondContact O-CB 3.38Å; R233-S237 PolarHBondContact O-N 2.74Å
234Y86.3Confident76.6Confident95 Ų9576.7 Ų76.737%0.37338%0.382SS..Hα-helixtrans-58-53.3173.9-177.7-87.8000111.7L199 H230 E231 S237 Y238L199-Y234 HydrophobicContact CD1-CD1 3.83Å; L199-Y234 HydrophobicContact CD1-CE1 4.05Å; L199-Y234 HydrophobicContact CD1-CG 4.43Å; H230-Y234 PolarHBondContact O-N 3.1Å; E231-Y234 WeakPolarHBondContact O-CB 3.48Å; E231-Y234 PolarHBondContact O-N 3.05Å; Y234-S237 WeakPolarHBondContact O-CB 3.48Å; Y234-S237 PolarHBondContact O-N 3.39Å; Y234-Y238 WeakPolarHBondContact O-CB 3.48Å; Y234-Y238 PolarHBondContact O-N 3.46Å
235L88.8Confident74.1Confident1 Ų174.8 Ų74.81%0.00539%0.385CS..Hα-helixtrans-64.6-42.8-178.3-68.6173.2000113.1L199 C202 V203 L227 E231 S237 Y238 M239 F303L199-L235 HydrophobicContact CB-CD2 4.42Å; L199-L235 HydrophobicContact CD2-CD1 3.85Å; L199-L235 HydrophobicContact CD2-CD2 3.98Å; L199-L235 HydrophobicContact CD2-CG 3.83Å; C202-L235 HydrophobicContact CB-CD1 4.05Å; V203-L235 HydrophobicContact CG2-CD2 3.49Å; V203-L235 VanDerWaalsContact CG2-CD2 3.49Å; L227-L235 HydrophobicContact CD1-CD1 4.04Å; L227-L235 HydrophobicContact CD2-CD1 3.51Å; L227-L235 HydrophobicContact CG-CD1 4.47Å; E231-L235 WeakPolarHBondContact O-CG 3.46Å; E231-L235 PolarHBondContact O-N 3.06Å; L235-S237 VanDerWaalsContact C-N 3.31Å; L235-S237 PolarHBondContact O-N 2.84Å; L235-Y238 PolarHBondContact O-N 3.45Å; L235-M239 WeakPolarHBondContact O-CG 3.46Å; L235-M239 PolarHBondContact O-N 2.92Å; L235-F303 HydrophobicContact CB-CB 4.37Å; L235-F303 HydrophobicContact CB-CD1 4.35Å; L235-F303 HydrophobicContact CB-CD2 3.55Å; L235-F303 HydrophobicContact CB-CE2 3.76Å; L235-F303 HydrophobicContact CB-CG 3.86Å; L235-F303 HydrophobicContact CB-CZ 4.25Å; L235-F303 HydrophobicContact CD1-CD1 3.76Å; L235-F303 HydrophobicContact CD1-CD2 4.45Å; L235-F303 HydrophobicContact CD1-CE1 3.83Å; L235-F303 HydrophobicContact CD1-CG 4.07Å; L235-F303 HydrophobicContact CD1-CZ 4.2Å
236N86.6Confident71.2Confident27 Ų2779.3 Ų79.314%0.14441%0.414CS..Hα-helixtrans-66.5-33.5176.1-74.2-50000112C232 Q240 K302 F303C232-N236 WeakPolarHBondContact O-CB 3.46Å; C232-N236 PolarHBondContact O-N 2.99Å; C232-N236 PolarHBondContact O-ND2 3.43Å; N236-Q240 WeakPolarHBondContact O-CG 3.47Å; N236-Q240 PolarHBondContact O-N 3.26Å; N236-Q240 PolarHBondContact O-NE2 3.31Å; N236-K302 VanDerWaalsContact OD1-CA 3.27Å; N236-K302 WeakPolarHBondContact OD1-CA 3.47Å; N236-F303 PolarHBondContact ND2-O 3.05Å; N236-F303 PolarHBondContact OD1-N 3.32Å
237S81.6Confident68.3Low77 Ų7782.1 Ų82.154%0.53843%0.432SS..Hα-helixtrans-67.4-45.4173.2-1690000111.1R233 Y234 L235 M239 Q240 S241R233-S237 WeakPolarHBondContact O-CB 3.38Å; R233-S237 PolarHBondContact O-N 2.74Å; Y234-S237 WeakPolarHBondContact O-CB 3.48Å; Y234-S237 PolarHBondContact O-N 3.39Å; L235-S237 VanDerWaalsContact C-N 3.31Å; L235-S237 PolarHBondContact O-N 2.84Å; S237-M239 PolarHBondContact O-N 3.28Å; S237-Q240 PolarHBondContact O-N 3.25Å; S237-S241 PolarHBondContact O-N 2.95Å; S237-S241 VanDerWaalsContact O-N 3.08Å; S237-S241 PolarHBondContact O-OG 2.96Å
238Y78.8Confident65.2Low77 Ų7786.7 Ų86.730%0.30246%0.464SS..Hα-helixtrans-61.4-41.6-179.9-177.8-99000112.3V203 Y234 L235 S241 T242 F251V203-Y238 HydrophobicContact CG1-CE1 4.17Å; V203-Y238 HydrophobicContact CG2-CD1 4.25Å; V203-Y238 HydrophobicContact CG2-CE1 4.3Å; Y234-Y238 WeakPolarHBondContact O-CB 3.48Å; Y234-Y238 PolarHBondContact O-N 3.46Å; L235-Y238 PolarHBondContact O-N 3.45Å; Y238-S241 WeakPolarHBondContact CA-OG 3.41Å; Y238-S241 PolarHBondContact O-N 3.23Å; Y238-S241 PolarHBondContact O-OG 2.91Å; Y238-T242 PolarHBondContact O-N 2.84Å; Y238-T242 PolarHBondContact O-OG1 3.05Å; Y238-F251 HydrophobicContact CE2-CD2 4.35Å; Y238-F251 HydrophobicContact CE2-CE2 4.42Å
239M72.1Confident62.3Low30 Ų3089.9 Ų89.915%0.14848%0.483CS..Hα-helixtrans-69.5-31.7174.8-69-72.594.900113.9V203 L235 S237 T242 F303V203-M239 HydrophobicContact CG1-CE 4.2Å; L235-M239 WeakPolarHBondContact O-CG 3.46Å; L235-M239 PolarHBondContact O-N 2.92Å; S237-M239 PolarHBondContact O-N 3.28Å; M239-T242 WeakPolarHBondContact CA-OG1 3.29Å; M239-T242 PolarHBondContact O-N 3.15Å; M239-T242 PolarHBondContact O-OG1 3.31Å; M239-F303 HydrophobicContact CG-CE2 3.79Å
240Q60.7Low59.7Low113 Ų11388.3 Ų88.353%0.52849%0.488SS..Hα-helixtrans-70.5-36.7176-80.6163.970.900111.5N236 S237 T242 T243N236-Q240 WeakPolarHBondContact O-CG 3.47Å; N236-Q240 PolarHBondContact O-N 3.26Å; N236-Q240 PolarHBondContact O-NE2 3.31Å; S237-Q240 PolarHBondContact O-N 3.25Å; Q240-T242 PolarHBondContact O-N 2.93Å; Q240-T243 PolarHBondContact O-N 2.92Å; Q240-T243 PolarHBondContact O-OG1 3.07Å; Q240-T243 VanDerWaalsContact O-OG1 3.13Å
241S55.6Low57Low75 Ų7589.3 Ų89.352%0.52449%0.491SS..Hα-helixtrans-66.5-21.2173.3410000114.2S237 Y238S237-S241 PolarHBondContact O-N 2.95Å; S237-S241 VanDerWaalsContact O-N 3.08Å; S237-S241 PolarHBondContact O-OG 2.96Å; Y238-S241 WeakPolarHBondContact CA-OG 3.41Å; Y238-S241 PolarHBondContact O-N 3.23Å; Y238-S241 PolarHBondContact O-OG 2.91Å
242T50.9Low54Low86 Ų8693.5 Ų93.553%0.52852%0.522SS..THydrogen-bonded Turntrans-88.9-4.3178.547.60000114.6Y238 M239 Q240Y238-T242 PolarHBondContact O-N 2.84Å; Y238-T242 PolarHBondContact O-OG1 3.05Å; M239-T242 WeakPolarHBondContact CA-OG1 3.29Å; M239-T242 PolarHBondContact O-N 3.15Å; M239-T242 PolarHBondContact O-OG1 3.31Å; Q240-T242 PolarHBondContact O-N 2.93Å
243T41.9Very low51.2Low102 Ų102100 Ų10063%0.62656%0.556SS**SBendtrans-106.42.7-179.551.90000114.5Q240Q240-T243 PolarHBondContact O-N 2.92Å; Q240-T243 PolarHBondContact O-OG1 3.07Å; Q240-T243 VanDerWaalsContact O-OG1 3.13Å
244T32.6Very low48.6Very low97 Ų9797.2 Ų97.260%0.59555%0.552SS**SBendtrans-142.5127.6177.754.20000111
245C28.4Very low45.9Very low129 Ų12999 Ų9987%0.87257%0.568SS**  trans80.2115.9177.6-49.50000116.1
246D25.3Very low43Very low152 Ų152108 Ų10881%0.81361%0.61SS**  trans-58.4169.9152.7-68.3-66.7000111.8
247I29.3Very low40.2Very low154 Ų154117.5 Ų117.579%0.7965%0.645SS**  trans80.889.4171-48.2173.7000114.8
248S25.9Very low37.7Very low98 Ų98118.5 Ų118.569%0.68565%0.65SS**  62.6138.9129.8-51.70000121.2
249T27.4Very low35.4Very low127 Ų127125.1 Ų125.178%0.77968%0.68SS**  trans72.667.4160.462.10000118.9
250T29.5Very low33.3Very low129 Ų129134.5 Ų134.579%0.79171%0.714SS**SBendtrans-150.3144.7137.4-15.60000110.3
251F29.6Very low31.9Very low122 Ų122138.7 Ų138.754%0.53573%0.731SS.*SBendtrans76.230.9-175.1-64.8-77.5000119.1Y238 N253 I254Y238-F251 HydrophobicContact CE2-CD2 4.35Å; Y238-F251 HydrophobicContact CE2-CE2 4.42Å; F251-N253 PolarHBondContact O-N 3.39Å; F251-I254 HydrophobicContact CD1-CD1 3.68Å; F251-I254 HydrophobicContact CE1-CD1 3.89Å
252S29.1Very low30.8Very low102 Ų102142.1 Ų142.171%0.71374%0.743SS**  trans-88.432.9157.664.50000112.9
253N29.4Very low29.7Very low144 Ų144145.8 Ų145.877%0.7776%0.76SS**  trans-150.433.5-166.4-95.9-32.7000115.7F251F251-N253 PolarHBondContact O-N 3.39Å
254I31.4Very low29.3Very low105 Ų105146.6 Ų146.654%0.53877%0.765SS.*SBendtrans-139.265.5154.3-52.585.2000109F251F251-I254 HydrophobicContact CD1-CD1 3.68Å; F251-I254 HydrophobicContact CE1-CD1 3.89Å
255D29.1Very low29.3Very low133 Ų133148.9 Ų148.971%0.71177%0.773SS**SBendtrans-16363.2161.8-109.6-20.1000110
256H28.1Very low29.4Very low188 Ų188151.1 Ų151.187%0.8778%0.775SS**  trans-158.2106.7164.5-108.264.9000108.8
257Y26.8Very low29.6Very low228 Ų228148.4 Ų148.489%0.89477%0.769SS**  trans-98.1119.8162.3-145.9-86.5000107.3K259Y257-K259 PolarHBondContact O-N 3.33Å
258P30.8Very low29.8Very low98 Ų98149.6 Ų149.664%0.63677%0.771SS**  trans-76.8118.7-166.128.5-34000111.6R260P258-R260 PolarHBondContact O-N 2.81Å
259K30.2Very low30.1Very low216 Ų216152.5 Ų152.594%0.93978%0.778SS**  trans-71.7108.3152.6-79.8-175.7176.3178.60107.7Y257Y257-K259 PolarHBondContact O-N 3.33Å
260R27.3Very low30.3Very low226 Ų226152.2 Ų152.285%0.85378%0.778SS**  trans-97.8119.1155.1-79.4-171.7177.1-171.5-0.8108.1P258P258-R260 PolarHBondContact O-N 2.81Å
261F30.9Very low30.4Very low202 Ų202149.4 Ų149.489%0.88678%0.775SS**  trans-160.8148.9135.2-101.6-67000107.5
262D32.6Very low30.6Very low146 Ų146149.7 Ų149.778%0.78179%0.792SS**  trans-77.9143.7-147.6-53.2-82.6000115.5
263D27.6Very low30.7Very low163 Ų163150.1 Ų150.187%0.87280%0.795SS**  trans-74.6132.2163.8-78.3-52.3000110.2
264T34.6Very low30.6Very low120 Ų120147.3 Ų147.374%0.73679%0.786SS**  trans-160117.8146-10000112.5
265N31.2Very low30.4Very low144 Ų144152.4 Ų152.477%0.7780%0.8SS**  trans49.2105.3152.2-60.6-39.1000119.3
266L32.4Very low30.4Very low176 Ų176151.5 Ų151.592%0.92180%0.804SS**  -157.7137.4102.7-130.770.8000112
267S28.2Very low30.4Very low96 Ų96151.5 Ų151.567%0.67180%0.804SS**  trans-104.9173.3-179.850.60000111.5
268Q34.3Very low30.5Very low178 Ų178149.7 Ų149.783%0.83280%0.801SS**  trans77.5135.9174.4-54.7174-1.400114.4
269L31.3Very low30.3Very low159 Ų159151.4 Ų151.483%0.83281%0.81SS**  cis-148.5167.60.9-100.8145.5000109.3
270P32.2Very low30.2Very low122 Ų122146.8 Ų146.879%0.79280%0.8SS**  trans-107.4170.8-16641-35.4000115.5
271G31.9Very low30.2Very low70 Ų70143.2 Ų143.272%0.72280%0.796SS**  trans128104.3143.400000117.4
272S33.5Very low30.2Very low128 Ų128139 Ų13990%0.89579%0.789SS**  trans-174.3117.9132.2-79.10000110.7
273S31.1Very low29.9Very low111 Ų111138 Ų13878%0.77679%0.793SS**  trans-75.2178.7160.2580000109.4
274C26.4Very low30Very low85 Ų85136.5 Ų136.557%0.57479%0.794SS**  cis-158.6163.43.420.40000104.8
275Y28.6Very low29.6Very low211 Ų211138 Ų13883%0.82780%0.797SS**  -159.7139.861.7-88.2-93.4000110.5
276S28.6Very low29.7Very low114 Ų114136.6 Ų136.680%0.79780%0.799SS**  trans-123118.9168.6-51.40000108.6K278S276-K278 PolarHBondContact O-N 3.18Å; S276-K278 VanDerWaalsContact O-N 3.13Å
277H28.3Very low29.5Very low188 Ų188131.5 Ų131.587%0.8779%0.789SS**  trans-72.9103.8171.9-109.1-89.3000109.6
278K28Very low29.5Very low191 Ų191134 Ų13483%0.8379%0.793SS**  trans-80.2119.7161.9-83.7-179171.9178.90108.6S276S276-K278 PolarHBondContact O-N 3.18Å; S276-K278 VanDerWaalsContact O-N 3.13Å
279T26.8Very low29.1Very low134 Ų134132 Ų13282%0.82279%0.793SS**  trans-89.7110.7163.3-51.20000108.5
280T29.4Very low28.9Very low119 Ų119134.4 Ų134.473%0.7379%0.793SS**PPolyproline II helixtrans-74.8128.9178.9-530000110.2P282T280-P282 WeakPolarHBondContact O-CD 3.35Å
281I26.5Very low28.7Very low150 Ų150133.1 Ų133.177%0.76979%0.786SS**PPolyproline II helixtrans-78.9123.2169.4-58.1175.1000108.1
282P29.9Very low28.4Very low115 Ų115137.2 Ų137.275%0.74779%0.791SS**PPolyproline II helixtrans-77.9124.517030.8-30.7000109.9T280T280-P282 WeakPolarHBondContact O-CD 3.35Å
283S26.6Very low28.2Very low124 Ų124137.5 Ų137.587%0.86778%0.782SS**PPolyproline II helixtrans-68.7131.2166.8-51.90000109.5
284C29.4Very low28Very low132 Ų132138.8 Ų138.889%0.89278%0.78SS**  trans-126.6117163.3-146.70000108.4
285D27.2Very low28.1Very low151 Ų151144.4 Ų144.481%0.80779%0.791SS**  trans-89.6125.4-175.1-171.57.7000109.6
286S34.2Very low28.1Very low115 Ų115139.9 Ų139.980%0.80479%0.786SS**  trans-166.290.9172.4-80.50000108.7
287G27.3Very low28.6Very low69 Ų69139.5 Ų139.571%0.71177%0.774SS**  trans-69.7143-171.100000114.7
288I28.2Very low28.7Very low149 Ų149134.4 Ų134.476%0.76476%0.76SS**  trans-114.6115.1147.4-63.3-179.1000106.4Y290I288-Y290 HydrophobicContact CG2-CD2 4.03Å; I288-Y290 HydrophobicContact CG2-CE2 3.82Å; I288-Y290 PolarHBondContact O-N 3.17Å
289V24.8Very low29.3Very low136 Ų136131.6 Ų131.682%0.82476%0.761SS**  trans-70.8114.8179.8176.60000109.2
290Y27.7Very low30.4Very low209 Ų209128.1 Ų128.182%0.8275%0.751SS**  trans-116.7121.9153.3-83.8-81.6000108.7I288I288-Y290 HydrophobicContact CG2-CD2 4.03Å; I288-Y290 HydrophobicContact CG2-CE2 3.82Å; I288-Y290 PolarHBondContact O-N 3.17Å
291S28.5Very low32Very low94 Ų94128.5 Ų128.566%0.65774%0.74SS**  trans-60141.9-175.846.80000112.7L293S291-L293 PolarHBondContact O-N 2.88Å; S291-L293 VanDerWaalsContact O-N 3.15Å
292N26.3Very low34.5Very low156 Ų156127.6 Ų127.683%0.83473%0.731SS**  trans-47.5120.6162.7-69.5-38.7000109.8
293L29Very low37.2Very low134 Ų134122.5 Ų122.570%0.70270%0.697SS**  trans-104.4102.5166.1-159.277.8000107.5S291 Y295S291-L293 PolarHBondContact O-N 2.88Å; S291-L293 VanDerWaalsContact O-N 3.15Å; L293-Y295 HydrophobicContact CD2-CE2 4.11Å; L293-Y295 PolarHBondContact O-N 2.72Å
294D25.7Very low40Very low138 Ų138124.6 Ų124.674%0.73869%0.686SS**  trans-60.999.2175.8-74.8-49.4000110.3T296D294-T296 HydrophobicContact CB-CG2 4.45Å; D294-T296 PolarHBondContact O-N 3.24Å
295Y28.7Very low42.8Very low204 Ų204121 Ų12180%0.866%0.662SS**  trans-73.763.6163.9-93.6-83000110.3L293 L297L293-Y295 HydrophobicContact CD2-CE2 4.11Å; L293-Y295 PolarHBondContact O-N 2.72Å; Y295-L297 PolarHBondContact O-N 3.18Å
296T30Very low45.6Very low116 Ų116115.3 Ų115.371%0.71264%0.639SS**  trans-52.3125.8155.550.80000108D294 S298D294-T296 HydrophobicContact CB-CG2 4.45Å; D294-T296 PolarHBondContact O-N 3.24Å; T296-S298 PolarHBondContact O-N 3Å
297L37.3Very low48.2Very low106 Ų106111.1 Ų111.156%0.55561%0.606SS**  trans-58.2111.7178.9-97.280.2000109Y295Y295-L297 PolarHBondContact O-N 3.18Å
298S31.3Very low51.2Low81 Ų81108.7 Ų108.757%0.56658%0.577SS**  trans-57.6134.9174.3-169.90000109.1T296 G300T296-S298 PolarHBondContact O-N 3Å; S298-G300 PolarHBondContact O-N 2.9Å
299P39.5Very low54.1Low132 Ų132101.6 Ų101.686%0.85754%0.541SS*.THydrogen-bonded Turntrans-7013.4-155.3-22.735.5000117.7
300G50.7Low57Low60 Ų6097.3 Ų97.362%0.61952%0.515SS*.THydrogen-bonded Turntrans-98.3-19.2-170.300000117S298 K302S298-G300 PolarHBondContact O-N 2.9Å; G300-K302 PolarHBondContact O-N 3.4Å
301Y63.2Low59.8Low128 Ų12889.4 Ų89.450%0.50249%0.487SS..  trans-88.674.2-164.9-65.5-82.5000114.3F316Y301-F316 HydrophobicContact CG-CE1 4.31Å
302K79.4Confident62.6Low131 Ų13185 Ų8557%0.5746%0.455SS*.  trans-79.4133.4167.8-68.8-177.4178.7178.90111.5N236 G300 R304 W307N236-K302 VanDerWaalsContact OD1-CA 3.27Å; N236-K302 WeakPolarHBondContact OD1-CA 3.47Å; G300-K302 PolarHBondContact O-N 3.4Å; K302-R304 PolarHBondContact O-N 3.43Å; K302-W307 VanDerWaalsContact O-CH2 3.25Å; K302-W307 WeakPolarHBondContact O-CH2 3.35Å; K302-W307 WeakPolarHBondContact O-CZ3 3.49Å
303F86.6Confident65.5Low7 Ų777.5 Ų77.53%0.03142%0.416CS..  trans-55.8128.6168.1-73.6-86.8000110.7V206 L227 C232 L235 N236 M239 L312V206-F303 HydrophobicContact CG2-CE1 4.1Å; V206-F303 HydrophobicContact CG2-CE2 4.45Å; V206-F303 HydrophobicContact CG2-CZ 3.58Å; L227-F303 HydrophobicContact CD1-CD1 3.65Å; L227-F303 HydrophobicContact CD1-CE1 4.36Å; C232-F303 HydrophobicContact CB-CB 4.31Å; L235-F303 HydrophobicContact CB-CB 4.37Å; L235-F303 HydrophobicContact CB-CD1 4.35Å; L235-F303 HydrophobicContact CB-CD2 3.55Å; L235-F303 HydrophobicContact CB-CE2 3.76Å; L235-F303 HydrophobicContact CB-CG 3.86Å; L235-F303 HydrophobicContact CB-CZ 4.25Å; L235-F303 HydrophobicContact CD1-CD1 3.76Å; L235-F303 HydrophobicContact CD1-CD2 4.45Å; L235-F303 HydrophobicContact CD1-CE1 3.83Å; L235-F303 HydrophobicContact CD1-CG 4.07Å; L235-F303 HydrophobicContact CD1-CZ 4.2Å; N236-F303 PolarHBondContact ND2-O 3.05Å; N236-F303 PolarHBondContact OD1-N 3.32Å; M239-F303 HydrophobicContact CG-CE2 3.79Å; F303-L312 HydrophobicContact CD1-CD2 3.67Å; F303-L312 HydrophobicContact CE1-CD1 4.31Å; F303-L312 HydrophobicContact CE1-CD2 3.57Å
304R85.6Confident68.1Low169 Ų16976 Ų7664%0.63841%0.408SS*.  trans-116.3146.2176.6-58.3-174.6178.7-110.91.3111.7C232 K302 W307C232-R304 PolarHBondContact SG-O 2.79Å; K302-R304 PolarHBondContact O-N 3.43Å; R304-W307 HydrophobicContact CB-CD2 4.1Å; R304-W307 HydrophobicContact CB-CH2 4.18Å; R304-W307 HydrophobicContact CB-CZ2 3.7Å; R304-W307 HydrophobicContact CG-CH2 3.92Å; R304-W307 HydrophobicContact CG-CZ2 3.66Å
305S86.6Confident70.9Confident56 Ų5673.9 Ų73.939%0.39239%0.389SS..THydrogen-bonded Turntrans-65.8139.7178560000110.7L227 C232L227-S305 CarbonylContact O-C 3.47Å; L227-S305 WeakPolarHBondContact O-CA 3.34Å; L227-S305 WeakPolarHBondContact O-CB 3.48Å; C232-S305 PolarHBondContact SG-N 3.33Å
306G86.6Confident73.6Confident32 Ų3265.8 Ų65.833%0.3336%0.359SS..THydrogen-bonded Turntrans104.3-13.7-177.800000114.7K226 L227K226-G306 WeakPolarHBondContact CD-O 3.17Å; K226-G306 WeakPolarHBondContact CG-O 3.5Å; L227-G306 PolarHBondContact O-N 3.32Å
307W89.5Confident75.9Confident27 Ų2765.1 Ų65.110%0.10236%0.357CS..  trans-77131.6178.4-63.7-10000112.1K226 L227 K302 R304 D311 L312 R315K226-W307 WeakPolarHBondContact CA-O 3.34Å; L227-W307 HydrophobicContact CD1-CB 4.41Å; L227-W307 PolarHBondContact N-O 3.22Å; K302-W307 VanDerWaalsContact O-CH2 3.25Å; K302-W307 WeakPolarHBondContact O-CH2 3.35Å; K302-W307 WeakPolarHBondContact O-CZ3 3.49Å; R304-W307 HydrophobicContact CB-CD2 4.1Å; R304-W307 HydrophobicContact CB-CH2 4.18Å; R304-W307 HydrophobicContact CB-CZ2 3.7Å; R304-W307 HydrophobicContact CG-CH2 3.92Å; R304-W307 HydrophobicContact CG-CZ2 3.66Å; W307-D311 HydrophobicContact CB-CB 3.74Å; W307-D311 HydrophobicContact CG-CB 4.16Å; W307-L312 HydrophobicContact CE3-CD2 3.72Å; W307-L312 HydrophobicContact CZ3-CD2 4.35Å; W307-R315 VanDerWaalsContact NE1-CZ 3.27Å
308T90.8Very high77.7Confident17 Ų1763.8 Ų63.810%0.10435%0.345CS..  trans-82.5178.8166.562.90000113.1I223 R225 K226 V310 D311 L312I223-T308 WeakPolarHBondContact O-CB 3.37Å; R225-T308 WeakPolarHBondContact O-CA 3.27Å; K226-T308 HydrophobicContact CG-CG2 3.94Å; T308-V310 VanDerWaalsContact C-N 3.3Å; T308-V310 PolarHBondContact O-N 3Å; T308-V310 PolarHBondContact OG1-N 3.19Å; T308-D311 WeakPolarHBondContact CB-OD2 3.24Å; T308-D311 VanDerWaalsContact N-CB 3.35Å; T308-D311 PolarHBondContact N-OD2 2.9Å; T308-D311 WeakPolarHBondContact O-CB 3.11Å; T308-D311 PolarHBondContact O-N 2.9Å; T308-D311 WeakPolarHBondContact OG1-CB 3.44Å; T308-D311 PolarHBondContact OG1-N 3.02Å; T308-D311 PolarHBondContact OG1-OD2 3.31Å; T308-L312 VanDerWaalsContact O-CG 3.32Å; T308-L312 WeakPolarHBondContact O-CG 3.29Å; T308-L312 PolarHBondContact O-N 2.73Å
309L88.2Confident79.6Confident0 Ų064.4 Ų64.40%035%0.345CS..Hα-helixtrans-64.2-35.5169.9-72.7165.4000112W198 A201 V205 Y216 I223 L312 A313 F325W198-L309 HydrophobicContact CE3-CD1 4.49Å; W198-L309 HydrophobicContact CE3-CG 4.49Å; W198-L309 HydrophobicContact CH2-CG 4.15Å; W198-L309 HydrophobicContact CZ3-CD1 3.87Å; W198-L309 HydrophobicContact CZ3-CD2 4.23Å; W198-L309 HydrophobicContact CZ3-CG 3.62Å; A201-L309 HydrophobicContact CB-CD1 4.42Å; A201-L309 HydrophobicContact CB-CD2 4.04Å; V205-L309 HydrophobicContact CG2-CD2 3.62Å; Y216-L309 HydrophobicContact CD1-CD1 3.73Å; Y216-L309 HydrophobicContact CE1-CD1 3.82Å; I223-L309 HydrophobicContact CG1-CD1 4.39Å; I223-L309 HydrophobicContact CG2-CB 4.42Å; L309-L312 HydrophobicContact CD2-CD1 4.43Å; L309-L312 PolarHBondContact O-N 2.87Å; L309-A313 PolarHBondContact O-N 3Å; L309-F325 HydrophobicContact CB-CE1 4.32Å; L309-F325 HydrophobicContact CB-CE2 4.13Å; L309-F325 HydrophobicContact CB-CZ 3.82Å; L309-F325 WeakPolarHBondContact O-CE2 3.42Å
310V85.7Confident81.4Confident47 Ų4762 Ų6229%0.28533%0.325SS..Hα-helixtrans-66.5-43.3175.8-174.60000110.6I223 T308 L312 A313 L314 F325I223-V310 HydrophobicContact CG2-CG2 3.77Å; T308-V310 VanDerWaalsContact C-N 3.3Å; T308-V310 PolarHBondContact O-N 3Å; T308-V310 PolarHBondContact OG1-N 3.19Å; V310-L312 VanDerWaalsContact C-N 3.28Å; V310-L312 PolarHBondContact O-N 2.87Å; V310-A313 PolarHBondContact O-N 3.34Å; V310-L314 HydrophobicContact CG1-CD1 4.03Å; V310-L314 HydrophobicContact CG1-CG 4.5Å; V310-L314 WeakPolarHBondContact O-CB 3.15Å; V310-L314 WeakPolarHBondContact O-CG 3.43Å; V310-L314 PolarHBondContact O-N 2.91Å; V310-F325 HydrophobicContact CG2-CD2 3.96Å; V310-F325 HydrophobicContact CG2-CE2 4.48Å
311D86Confident82.8Confident43 Ų4359.2 Ų59.223%0.2330%0.296CS..Hα-helixtrans-58.8-35.8172.8-85.5-73.5000113.6W307 T308 R315W307-D311 HydrophobicContact CB-CB 3.74Å; W307-D311 HydrophobicContact CG-CB 4.16Å; T308-D311 WeakPolarHBondContact CB-OD2 3.24Å; T308-D311 VanDerWaalsContact N-CB 3.35Å; T308-D311 PolarHBondContact N-OD2 2.9Å; T308-D311 WeakPolarHBondContact O-CB 3.11Å; T308-D311 PolarHBondContact O-N 2.9Å; T308-D311 WeakPolarHBondContact OG1-CB 3.44Å; T308-D311 PolarHBondContact OG1-N 3.02Å; T308-D311 PolarHBondContact OG1-OD2 3.31Å; D311-R315 WeakPolarHBondContact O-CB 3.34Å; D311-R315 VanDerWaalsContact O-CG 3.28Å; D311-R315 WeakPolarHBondContact O-CG 3.13Å; D311-R315 PolarHBondContact O-N 3.43Å; D311-R315 PolarHBondContact O-NH1 3.04Å; D311-R315 IonicContact OD1-CZ 3.79Å; D311-R315 IonicContact OD1-NH1 2.69Å; D311-R315 PolarHBondContact OD1-NH1 3.26Å; D311-R315 IonicContact OD1-NH2 3.17Å; D311-R315 PolarHBondContact OD1-NH2 3.15Å
312L88.9Confident83.2Confident0 Ų054.9 Ų54.90%028%0.282CS..Hα-helixtrans-70.9-51.8175.6-72.6168.7000109.8C202 V205 L227 F303 W307 T308 L309 V310 L314 R315 F316C202-L312 HydrophobicContact CB-CD1 3.77Å; V205-L312 HydrophobicContact CB-CB 4.3Å; V205-L312 HydrophobicContact CG1-CB 3.61Å; L227-L312 HydrophobicContact CD1-CD1 4.21Å; L227-L312 HydrophobicContact CD1-CD2 4.32Å; F303-L312 HydrophobicContact CD1-CD2 3.67Å; F303-L312 HydrophobicContact CE1-CD1 4.31Å; F303-L312 HydrophobicContact CE1-CD2 3.57Å; W307-L312 HydrophobicContact CE3-CD2 3.72Å; W307-L312 HydrophobicContact CZ3-CD2 4.35Å; T308-L312 VanDerWaalsContact O-CG 3.32Å; T308-L312 WeakPolarHBondContact O-CG 3.29Å; T308-L312 PolarHBondContact O-N 2.73Å; L309-L312 HydrophobicContact CD2-CD1 4.43Å; L309-L312 PolarHBondContact O-N 2.87Å; V310-L312 VanDerWaalsContact C-N 3.28Å; V310-L312 PolarHBondContact O-N 2.87Å; L312-L314 VanDerWaalsContact C-N 3.31Å; L312-L314 PolarHBondContact O-N 3.49Å; L312-R315 PolarHBondContact O-N 3.3Å; L312-F316 HydrophobicContact CD2-CD2 4.29Å; L312-F316 HydrophobicContact CD2-CE2 3.87Å; L312-F316 WeakPolarHBondContact O-CD2 3.33Å; L312-F316 PolarHBondContact O-N 2.99Å
313A86.6Confident82.4Confident0 Ų051 Ų510%027%0.267CS..Hα-helixtrans-57.8-43.7-179.700000112.1V205 L309 V310 R315 C317 R318 L321 I322 F325V205-A313 HydrophobicContact CG1-CB 4Å; L309-A313 PolarHBondContact O-N 3Å; V310-A313 PolarHBondContact O-N 3.34Å; A313-R315 PolarHBondContact O-N 3.1Å; A313-C317 PolarHBondContact O-N 3.09Å; A313-C317 VanDerWaalsContact O-N 3.14Å; A313-R318 HydrophobicContact CB-CB 4.23Å; A313-R318 PolarHBondContact O-N 3Å; A313-L321 HydrophobicContact CB-CB 4.33Å; A313-I322 HydrophobicContact CB-CG1 4.27Å; A313-F325 HydrophobicContact CB-CE2 3.59Å; A313-F325 HydrophobicContact CB-CZ 4.22Å
314L83.3Confident81.8Confident103 Ų10352.3 Ų52.354%0.53927%0.274SS..Hα-helixtrans-61.2-38.1174-74.8168.4000113.4V310 L312 I322V310-L314 HydrophobicContact CG1-CD1 4.03Å; V310-L314 HydrophobicContact CG1-CG 4.5Å; V310-L314 WeakPolarHBondContact O-CB 3.15Å; V310-L314 WeakPolarHBondContact O-CG 3.43Å; V310-L314 PolarHBondContact O-N 2.91Å; L312-L314 VanDerWaalsContact C-N 3.31Å; L312-L314 PolarHBondContact O-N 3.49Å; L314-I322 HydrophobicContact CD2-CD1 3.57Å; L314-I322 HydrophobicContact CG-CD1 4.02Å
315R85.3Confident81.1Confident92 Ų9244.3 Ų44.335%0.34724%0.244SC..Hα-helixtrans-83.1-25.8-177.3-76.2-177.7-175.880.6-2.8114.5W307 D311 L312 A313 C317W307-R315 VanDerWaalsContact NE1-CZ 3.27Å; D311-R315 WeakPolarHBondContact O-CB 3.34Å; D311-R315 VanDerWaalsContact O-CG 3.28Å; D311-R315 WeakPolarHBondContact O-CG 3.13Å; D311-R315 PolarHBondContact O-N 3.43Å; D311-R315 PolarHBondContact O-NH1 3.04Å; D311-R315 IonicContact OD1-CZ 3.79Å; D311-R315 IonicContact OD1-NH1 2.69Å; D311-R315 PolarHBondContact OD1-NH1 3.26Å; D311-R315 IonicContact OD1-NH2 3.17Å; D311-R315 PolarHBondContact OD1-NH2 3.15Å; L312-R315 PolarHBondContact O-N 3.3Å; A313-R315 PolarHBondContact O-N 3.1Å; R315-C317 VanDerWaalsContact C-N 3.34Å
316F83.6Confident80.1Confident35 Ų3546.1 Ų46.115%0.15425%0.248CC..THydrogen-bonded Turntrans-96.915173.8-71-80.9000112.2V206 Y301 L312 R318V206-F316 HydrophobicContact CG1-CD1 3.94Å; V206-F316 HydrophobicContact CG1-CE1 3.8Å; V206-F316 HydrophobicContact CG1-CZ 4.28Å; V206-F316 HydrophobicContact CG2-CD1 4.23Å; V206-F316 HydrophobicContact CG2-CD2 3.84Å; V206-F316 HydrophobicContact CG2-CE1 4Å; V206-F316 HydrophobicContact CG2-CE2 3.6Å; V206-F316 HydrophobicContact CG2-CG 4.16Å; V206-F316 HydrophobicContact CG2-CZ 3.68Å; Y301-F316 HydrophobicContact CG-CE1 4.31Å; L312-F316 HydrophobicContact CD2-CD2 4.29Å; L312-F316 HydrophobicContact CD2-CE2 3.87Å; L312-F316 WeakPolarHBondContact O-CD2 3.33Å; L312-F316 PolarHBondContact O-N 2.99Å; F316-R318 HydrophobicContact CB-CG 4.35Å; F316-R318 PolarHBondContact O-N 3.31Å; F316-R318 VanDerWaalsContact O-N 3.13Å
317C79Confident79Confident101 Ų10146.7 Ų46.768%0.68225%0.25SC*.THydrogen-bonded Turntrans54.927.1178.5-59.70000115.1A313 R315 T319A313-C317 PolarHBondContact O-N 3.09Å; A313-C317 VanDerWaalsContact O-N 3.14Å; R315-C317 VanDerWaalsContact C-N 3.34Å; C317-T319 VanDerWaalsContact C-N 3.33Å; C317-T319 PolarHBondContact O-N 2.82Å; C317-T319 VanDerWaalsContact O-N 3.15Å
318R75.5Confident77.8Confident78 Ų7846.4 Ų46.429%0.29425%0.25SS..  trans-87.166.2176.5-61.1-64-169159.71.7111.6V205 V206 N207 A313 F316 D320 L321V205-R318 WeakPolarHBondContact O-CG 3.44Å; V206-R318 PolarHBondContact O-NH2 3.24Å; N207-R318 PolarHBondContact O-NH2 3.44Å; A313-R318 HydrophobicContact CB-CB 4.23Å; A313-R318 PolarHBondContact O-N 3Å; F316-R318 HydrophobicContact CB-CG 4.35Å; F316-R318 PolarHBondContact O-N 3.31Å; F316-R318 VanDerWaalsContact O-N 3.13Å; R318-D320 WeakPolarHBondContact CA-OD1 3.39Å; R318-D320 WeakPolarHBondContact CB-OD1 3.37Å; R318-D320 PolarHBondContact O-N 3.32Å; R318-L321 HydrophobicContact CB-CB 4.24Å; R318-L321 HydrophobicContact CB-CD1 3.8Å; R318-L321 HydrophobicContact CB-CG 4.03Å; R318-L321 HydrophobicContact CG-CD1 4.14Å; R318-L321 PolarHBondContact O-N 2.79Å
319T72.1Confident76.4Confident94 Ų9448.9 Ų48.958%0.57726%0.262SS*.Hα-helixtrans-68.1-25.4178.250.10000112.7C317 L321 I322C317-T319 VanDerWaalsContact C-N 3.33Å; C317-T319 PolarHBondContact O-N 2.82Å; C317-T319 VanDerWaalsContact O-N 3.15Å; T319-L321 VanDerWaalsContact C-N 3.33Å; T319-L321 PolarHBondContact O-N 3.15Å; T319-I322 HydrophobicContact CG2-CD1 4.28Å; T319-I322 WeakPolarHBondContact O-CB 3.28Å; T319-I322 PolarHBondContact O-N 3.38Å; T319-I322 VanDerWaalsContact O-N 3.16Å
320D76.3Confident74.7Confident82 Ų8249.4 Ų49.444%0.43927%0.267SS..Hα-helixtrans-51.6-48166.661.2-42.3000112.1R318 I322 N323 L324R318-D320 WeakPolarHBondContact CA-OD1 3.39Å; R318-D320 WeakPolarHBondContact CB-OD1 3.37Å; R318-D320 PolarHBondContact O-N 3.32Å; D320-I322 VanDerWaalsContact C-N 3.28Å; D320-I322 PolarHBondContact O-N 3.29Å; D320-N323 PolarHBondContact O-N 3.2Å; D320-L324 PolarHBondContact O-N 2.94Å
321L79.2Confident72.9Confident2 Ų250.7 Ų50.71%0.0127%0.272CS..Hα-helixtrans-70-21.7179.7-62.9179.8000113.2V205 V210 I213 A313 R318 T319 N323 L324 F325V205-L321 HydrophobicContact CB-CD1 4.25Å; V205-L321 HydrophobicContact CG1-CD1 4.13Å; V205-L321 HydrophobicContact CG2-CD1 4.16Å; V210-L321 HydrophobicContact CG2-CD2 4.09Å; I213-L321 HydrophobicContact CD1-CD1 3.73Å; I213-L321 HydrophobicContact CD1-CD2 3.9Å; I213-L321 HydrophobicContact CD1-CG 4.4Å; A313-L321 HydrophobicContact CB-CB 4.33Å; R318-L321 HydrophobicContact CB-CB 4.24Å; R318-L321 HydrophobicContact CB-CD1 3.8Å; R318-L321 HydrophobicContact CB-CG 4.03Å; R318-L321 HydrophobicContact CG-CD1 4.14Å; R318-L321 PolarHBondContact O-N 2.79Å; T319-L321 VanDerWaalsContact C-N 3.33Å; T319-L321 PolarHBondContact O-N 3.15Å; L321-N323 VanDerWaalsContact C-N 3.29Å; L321-N323 PolarHBondContact O-N 3.35Å; L321-L324 HydrophobicContact CD2-CD2 4.01Å; L321-L324 WeakPolarHBondContact O-CB 3.38Å; L321-L324 PolarHBondContact O-N 3.22Å; L321-F325 HydrophobicContact CB-CE1 4.43Å; L321-F325 HydrophobicContact CB-CE2 4.34Å; L321-F325 HydrophobicContact CB-CZ 4.09Å; L321-F325 WeakPolarHBondContact O-CD1 3.45Å; L321-F325 WeakPolarHBondContact O-CD2 3.17Å; L321-F325 WeakPolarHBondContact O-CG 3.35Å; L321-F325 PolarHBondContact O-N 2.93Å
322I72.8Confident71.1Confident37 Ų3752.2 Ų52.219%0.1928%0.278CS..Hα-helixtrans-65.3-38.4174.4-59.4173.8000110.1A313 L314 T319 D320 L324 F325 I326A313-I322 HydrophobicContact CB-CG1 4.27Å; L314-I322 HydrophobicContact CD2-CD1 3.57Å; L314-I322 HydrophobicContact CG-CD1 4.02Å; T319-I322 HydrophobicContact CG2-CD1 4.28Å; T319-I322 WeakPolarHBondContact O-CB 3.28Å; T319-I322 PolarHBondContact O-N 3.38Å; T319-I322 VanDerWaalsContact O-N 3.16Å; D320-I322 VanDerWaalsContact C-N 3.28Å; D320-I322 PolarHBondContact O-N 3.29Å; I322-L324 VanDerWaalsContact C-N 3.35Å; I322-F325 PolarHBondContact O-N 3.36Å; I322-I326 HydrophobicContact CG2-CD1 3.78Å; I322-I326 HydrophobicContact CG2-CG1 4.33Å; I322-I326 WeakPolarHBondContact O-CB 3.13Å; I322-I326 VanDerWaalsContact O-CG1 3.27Å; I322-I326 WeakPolarHBondContact O-CG1 3.32Å; I322-I326 PolarHBondContact O-N 3.3Å
323N63.2Low68.8Low49 Ų4954.1 Ų54.126%0.26229%0.294SS..Hα-helixtrans-65.8-39.2175.8-75.4-29.8000112K82 V89 D320 L321 A327K82-N323 WeakPolarHBondContact CE-OD1 3.38Å; K82-N323 PolarHBondContact NZ-OD1 3.31Å; V89-N323 WeakPolarHBondContact CG2-ND2 3.26Å; D320-N323 PolarHBondContact O-N 3.2Å; L321-N323 VanDerWaalsContact C-N 3.29Å; L321-N323 PolarHBondContact O-N 3.35Å; N323-A327 VanDerWaalsContact O-CB 3.25Å; N323-A327 WeakPolarHBondContact O-CB 3.45Å; N323-A327 PolarHBondContact O-N 2.83Å
324L72.7Confident66.4Low34 Ų3457.6 Ų57.618%0.17832%0.315CS..Hα-helixtrans-63.7-46172.5-179.270.9000111.7V210 I213 D320 L321 I322 I326 A327 L328V210-L324 HydrophobicContact CB-CD2 4.43Å; V210-L324 HydrophobicContact CG1-CD1 4.46Å; V210-L324 HydrophobicContact CG1-CD2 3.76Å; V210-L324 HydrophobicContact CG2-CD2 4.2Å; I213-L324 HydrophobicContact CG2-CD2 3.83Å; D320-L324 PolarHBondContact O-N 2.94Å; L321-L324 HydrophobicContact CD2-CD2 4.01Å; L321-L324 WeakPolarHBondContact O-CB 3.38Å; L321-L324 PolarHBondContact O-N 3.22Å; I322-L324 VanDerWaalsContact C-N 3.35Å; L324-I326 PolarHBondContact O-N 3.48Å; L324-A327 PolarHBondContact O-N 2.86Å; L324-L328 HydrophobicContact CD1-CD1 3.83Å; L324-L328 HydrophobicContact CD1-CG 4.11Å; L324-L328 HydrophobicContact CD2-CD1 4.38Å; L324-L328 HydrophobicContact CG-CD1 3.77Å; L324-L328 HydrophobicContact CG-CG 4.34Å; L324-L328 WeakPolarHBondContact O-CB 3.18Å; L324-L328 VanDerWaalsContact O-CG 3.31Å; L324-L328 WeakPolarHBondContact O-CG 3.12Å; L324-L328 PolarHBondContact O-N 2.98Å
325F72.3Confident64.2Low2 Ų252.9 Ų52.91%0.00929%0.291CS..Hα-helixtrans-61.9-45.2176.5-59.9-26.1000111.6V205 I213 I217 L309 V310 A313 L321 I322 A327 L328 I329V205-F325 HydrophobicContact CG2-CE1 4.47Å; V205-F325 HydrophobicContact CG2-CZ 3.79Å; I213-F325 HydrophobicContact CD1-CE1 4.3Å; I213-F325 HydrophobicContact CG2-CD1 4.14Å; I213-F325 HydrophobicContact CG2-CE1 3.65Å; I217-F325 HydrophobicContact CD1-CD1 4.06Å; L309-F325 HydrophobicContact CB-CE1 4.32Å; L309-F325 HydrophobicContact CB-CE2 4.13Å; L309-F325 HydrophobicContact CB-CZ 3.82Å; L309-F325 WeakPolarHBondContact O-CE2 3.42Å; V310-F325 HydrophobicContact CG2-CD2 3.96Å; V310-F325 HydrophobicContact CG2-CE2 4.48Å; A313-F325 HydrophobicContact CB-CE2 3.59Å; A313-F325 HydrophobicContact CB-CZ 4.22Å; L321-F325 HydrophobicContact CB-CE1 4.43Å; L321-F325 HydrophobicContact CB-CE2 4.34Å; L321-F325 HydrophobicContact CB-CZ 4.09Å; L321-F325 WeakPolarHBondContact O-CD1 3.45Å; L321-F325 WeakPolarHBondContact O-CD2 3.17Å; L321-F325 WeakPolarHBondContact O-CG 3.35Å; L321-F325 PolarHBondContact O-N 2.93Å; I322-F325 PolarHBondContact O-N 3.36Å; F325-A327 VanDerWaalsContact C-N 3.29Å; F325-A327 PolarHBondContact O-N 3.12Å; F325-L328 PolarHBondContact O-N 2.83Å; F325-I329 VanDerWaalsContact O-CB 3.24Å; F325-I329 WeakPolarHBondContact O-CB 3.38Å; F325-I329 WeakPolarHBondContact O-CD1 3.39Å; F325-I329 WeakPolarHBondContact O-CG1 3.45Å; F325-I329 PolarHBondContact O-N 3.18Å
326I65.3Low61.8Low93 Ų9351.6 Ų51.648%0.47730%0.296SS..Hα-helixtrans-63.3-36.7175.4-68.5168.9000110.7I322 L324 G330I322-I326 HydrophobicContact CG2-CD1 3.78Å; I322-I326 HydrophobicContact CG2-CG1 4.33Å; I322-I326 WeakPolarHBondContact O-CB 3.13Å; I322-I326 VanDerWaalsContact O-CG1 3.27Å; I322-I326 WeakPolarHBondContact O-CG1 3.32Å; I322-I326 PolarHBondContact O-N 3.3Å; L324-I326 PolarHBondContact O-N 3.48Å; I326-G330 WeakPolarHBondContact O-CA 3.22Å; I326-G330 PolarHBondContact O-N 2.9Å
327A63Low59.1Low44 Ų4453.7 Ų53.736%0.36432%0.32SS..Hα-helixtrans-69-42.4176.100000112N323 L324 F325 G330 L331N323-A327 VanDerWaalsContact O-CB 3.25Å; N323-A327 WeakPolarHBondContact O-CB 3.45Å; N323-A327 PolarHBondContact O-N 2.83Å; L324-A327 PolarHBondContact O-N 2.86Å; F325-A327 VanDerWaalsContact C-N 3.29Å; F325-A327 PolarHBondContact O-N 3.12Å; A327-G330 CarbonylContact O-C 3.45Å; A327-G330 WeakPolarHBondContact O-CA 3.49Å; A327-G330 PolarHBondContact O-N 2.87Å; A327-L331 WeakPolarHBondContact O-CD1 3.27Å; A327-L331 PolarHBondContact O-N 3.44Å
328L64Low56.9Low22 Ų2255.7 Ų55.712%0.11532%0.322CS..Hα-helixtrans-78-37-178.6-64.5171.9000112.9E214 I217 L324 F325 G330 L331 Q332E214-L328 HydrophobicContact CG-CD1 4.12Å; I217-L328 HydrophobicContact CB-CD1 4.31Å; I217-L328 HydrophobicContact CD1-CB 4.29Å; I217-L328 HydrophobicContact CD1-CD1 3.59Å; I217-L328 HydrophobicContact CG2-CB 3.83Å; I217-L328 HydrophobicContact CG2-CD1 4.4Å; L324-L328 HydrophobicContact CD1-CD1 3.83Å; L324-L328 HydrophobicContact CD1-CG 4.11Å; L324-L328 HydrophobicContact CD2-CD1 4.38Å; L324-L328 HydrophobicContact CG-CD1 3.77Å; L324-L328 HydrophobicContact CG-CG 4.34Å; L324-L328 WeakPolarHBondContact O-CB 3.18Å; L324-L328 VanDerWaalsContact O-CG 3.31Å; L324-L328 WeakPolarHBondContact O-CG 3.12Å; L324-L328 PolarHBondContact O-N 2.98Å; F325-L328 PolarHBondContact O-N 2.83Å; L328-G330 VanDerWaalsContact C-N 3.26Å; L328-L331 PolarHBondContact O-N 3.34Å; L328-Q332 WeakPolarHBondContact O-CG 2.88Å; L328-Q332 PolarHBondContact O-N 3.38Å
329I62.2Low54.9Low68 Ų6855.8 Ų55.835%0.34934%0.335SS..Hα-helixtrans-63.2-39.6164.6-65164.7000109.2I223 F325 Q332 A333I223-I329 HydrophobicContact CB-CD1 4.44Å; I223-I329 HydrophobicContact CD1-CD1 3.73Å; I223-I329 HydrophobicContact CD1-CG1 3.32Å; I223-I329 HydrophobicContact CG2-CD1 4.17Å; F325-I329 VanDerWaalsContact O-CB 3.24Å; F325-I329 WeakPolarHBondContact O-CB 3.38Å; F325-I329 WeakPolarHBondContact O-CD1 3.39Å; F325-I329 WeakPolarHBondContact O-CG1 3.45Å; F325-I329 PolarHBondContact O-N 3.18Å; I329-Q332 CarbonylContact O-C 3.51Å; I329-Q332 WeakPolarHBondContact O-CA 3.36Å; I329-Q332 WeakPolarHBondContact O-CB 3.28Å; I329-Q332 PolarHBondContact O-N 2.94Å; I329-A333 WeakPolarHBondContact O-CB 3.46Å; I329-A333 PolarHBondContact O-N 3.47Å
330G51.7Low53.1Low11 Ų1157.5 Ų57.511%0.11335%0.345CS..Hα-helixtrans-56.1-53.6173.400000110.9I326 A327 L328 Q332 A333 T334I326-G330 WeakPolarHBondContact O-CA 3.22Å; I326-G330 PolarHBondContact O-N 2.9Å; A327-G330 CarbonylContact O-C 3.45Å; A327-G330 WeakPolarHBondContact O-CA 3.49Å; A327-G330 PolarHBondContact O-N 2.87Å; L328-G330 VanDerWaalsContact C-N 3.26Å; G330-Q332 PolarHBondContact O-N 2.87Å; G330-A333 CarbonylContact O-C 3.33Å; G330-A333 PolarHBondContact O-N 2.89Å; G330-T334 PolarHBondContact O-N 2.91Å; G330-T334 PolarHBondContact O-OG1 2.93Å
331L48.9Very low51Low75 Ų7557 Ų5739%0.39336%0.359SS..Hα-helixtrans-57.7-23.3173.8-92.178.2000113.1A327 L328A327-L331 WeakPolarHBondContact O-CD1 3.27Å; A327-L331 PolarHBondContact O-N 3.44Å; L328-L331 PolarHBondContact O-N 3.34Å
332Q47Very low48.7Very low74 Ų7461.1 Ų61.135%0.34639%0.388SS..Hα-helixtrans-87.9-13.7171.3-67.3176.8-11.300114.7I217 L328 I329 G330I217-Q332 PolarHBondContact O-NE2 3.06Å; L328-Q332 WeakPolarHBondContact O-CG 2.88Å; L328-Q332 PolarHBondContact O-N 3.38Å; I329-Q332 CarbonylContact O-C 3.51Å; I329-Q332 WeakPolarHBondContact O-CA 3.36Å; I329-Q332 WeakPolarHBondContact O-CB 3.28Å; I329-Q332 PolarHBondContact O-N 2.94Å; G330-Q332 PolarHBondContact O-N 2.87Å
333A40.6Very low46.7Very low40 Ų4062.6 Ų62.633%0.33141%0.412SS..Hα-helixtrans-130.7-38-16900000115.5I329 G330 S335 S336I329-A333 WeakPolarHBondContact O-CB 3.46Å; I329-A333 PolarHBondContact O-N 3.47Å; G330-A333 CarbonylContact O-C 3.33Å; G330-A333 PolarHBondContact O-N 2.89Å; A333-S335 PolarHBondContact O-N 2.77Å; A333-S336 WeakPolarHBondContact O-CB 3.45Å; A333-S336 PolarHBondContact O-N 3.25Å
334T36.6Very low45.3Very low73 Ų7365.7 Ų65.745%0.44844%0.438SS..G310 helixtrans-69.2-9.917463.50000113G330 S336 A337G330-T334 PolarHBondContact O-N 2.91Å; G330-T334 PolarHBondContact O-OG1 2.93Å; T334-S336 PolarHBondContact O-N 3.28Å; T334-S336 VanDerWaalsContact O-N 3.16Å; T334-A337 PolarHBondContact O-N 2.83Å
335S37Very low43.3Very low4 Ų473.3 Ų73.33%0.02847%0.469CS..G310 helixtrans-67.41.7160.4-68.70000113.7A333 W543 R545 T546A333-S335 PolarHBondContact O-N 2.77Å; S335-W543 PolarHBondContact O-NE1 3.22Å; S335-R545 WeakPolarHBondContact OG-CA 3.39Å; S335-T546 WeakPolarHBondContact CA-OG1 3.43Å; S335-T546 PolarHBondContact OG-N 3.42Å; S335-T546 PolarHBondContact OG-OG1 2.98Å
336S34.3Very low41.5Very low65 Ų6582.1 Ų82.146%0.45551%0.51SS..G310 helixtrans-124.49.4175.4-63.10000114.8A333 T334 K448A333-S336 WeakPolarHBondContact O-CB 3.45Å; A333-S336 PolarHBondContact O-N 3.25Å; T334-S336 PolarHBondContact O-N 3.28Å; T334-S336 VanDerWaalsContact O-N 3.16Å; S336-K448 VanDerWaalsContact OG-CG 3.31Å; S336-K448 WeakPolarHBondContact OG-CG 3.39Å
337A28.4Very low39.8Very low79 Ų7982.5 Ų82.565%0.65352%0.521SS*.  trans-149.260.4-17100000114.9T334T334-A337 PolarHBondContact O-N 2.83Å
338I31.2Very low38.3Very low144 Ų14487.4 Ų87.474%0.73855%0.547SS*.  trans-125.288158.5-54.7179.6000108.4
339S34.2Very low36.7Very low79 Ų7994.1 Ų94.155%0.55258%0.582SS**  trans-136.296.2168.9-171.50000108.8G341S339-G341 VanDerWaalsContact C-N 3.26Å; S339-G341 PolarHBondContact O-N 3.3Å
340V34.8Very low35.1Very low131 Ų13196.1 Ų96.179%0.79460%0.6SS**  trans-77.979.8178-1750000108.7S342V340-S342 PolarHBondContact O-N 3Å
341G30.8Very low34.2Very low72 Ų72104.1 Ų104.174%0.74264%0.636SS**  trans-74.385.7173.200000111.5S339 G343S339-G341 VanDerWaalsContact C-N 3.26Å; S339-G341 PolarHBondContact O-N 3.3Å; G341-G343 PolarHBondContact O-N 2.95Å
342S31.4Very low33.3Very low88 Ų88107.9 Ų107.962%0.61566%0.657SS**  trans-77.470.7176-156.70000111.6V340 S344V340-S342 PolarHBondContact O-N 3Å; S342-S344 PolarHBondContact O-N 3.29Å
343G31.4Very low32.7Very low67 Ų67109.9 Ų109.969%0.69168%0.678SS**  trans-84.593.9175.300000111.5G341 K345G341-G343 PolarHBondContact O-N 2.95Å; G343-K345 PolarHBondContact O-N 2.9Å
344S34.5Very low32.2Very low115 Ų115113 Ų11380%0.80470%0.698SS**  trans-57.6122.9173.4-176.80000110.9S342S342-S344 PolarHBondContact O-N 3.29Å
345K29.3Very low31.9Very low193 Ų193114.5 Ų114.584%0.83971%0.711SS**  trans-96.6117.4168.1-69.7-179.1178.5-179.20108.6G343G343-K345 PolarHBondContact O-N 2.9Å
346H35Very low31.7Very low187 Ų187120.6 Ų120.687%0.86675%0.749SS**  trans-123.2143.5144.2-104.7-78.8000110.2
347S29.4Very low31.4Very low101 Ų101123.5 Ų123.571%0.70676%0.764SS**  trans-104.1136.4-158.349.20000113
348T31.8Very low31.6Very low147 Ų147124.7 Ų124.790%0.90277%0.767SS**  trans-147.2150.2143.6-3.50000111
349L30.7Very low31.4Very low163 Ų163124.3 Ų124.385%0.85377%0.772SS**  trans-80.8151.8-163.3-68150.3000113.2
350P28Very low31.2Very low111 Ų111127.4 Ų127.472%0.72178%0.78SS**  trans-87.2139.5169.334.7-31.1000111.2
351M32.8Very low30.9Very low179 Ų179126.5 Ų126.588%0.88278%0.775SS**  trans-119.1127.9159.7-82.7-70.5130.700109.3
352N29.8Very low30.8Very low154 Ų154128.1 Ų128.182%0.82478%0.775SS**  trans-64162.9161.4-67.5-34.1000108.3
353S33.9Very low30.9Very low115 Ų115128.6 Ų128.680%0.80478%0.778SS**  cis-161.8173.838.647.10000113.5
354S31.4Very low30.8Very low105 Ų105132.5 Ų132.573%0.73478%0.784SS**  trans-72.8132-173.3-35.80000114.9
355S28.9Very low30.8Very low105 Ų105132.8 Ų132.873%0.73479%0.786SS**  trans35.8109.8133.863.80000121.2
356T33.2Very low30.8Very low132 Ų132129.6 Ų129.681%0.8178%0.782SS**  -153.8124129.5-3.20000113
357T29.5Very low30.6Very low126 Ų126126.4 Ų126.477%0.77378%0.776SS**  trans48.8147.3147.733.60000125
358S32.2Very low30.6Very low104 Ų104128.8 Ų128.873%0.72778%0.78SS**  trans81.394.6149.351.60000122.3
359V27.3Very low30.4Very low137 Ų137125.8 Ų125.883%0.8377%0.77SS**  48.8144.9122.8-144.50000121.4
360I29.5Very low30.3Very low143 Ų143124.1 Ų124.173%0.73377%0.767SS**  trans111.383.1153.5-54.8-175.8000116.2
361T28.2Very low30.4Very low112 Ų112126 Ų12669%0.68777%0.771SS**  trans52.5135.6133.763.80000123.7
362S29.4Very low30.4Very low106 Ų106124.4 Ų124.474%0.74177%0.77SS**  trans65.6144.5138.559.20000119.4
363S32.2Very low30.3Very low98 Ų98122 Ų12269%0.68577%0.766SS**  cis-171156.9-8.441.90000109.7
364N30.4Very low30.3Very low150 Ų150125 Ų12580%0.80277%0.769SS**  trans30.6128.4151-56.3-6.6000120.2
365S33.8Very low30.2Very low121 Ų121124.5 Ų124.585%0.84677%0.765SS**  -175.515097.4-77.80000114.9
366T30Very low30.3Very low125 Ų125126.6 Ų126.677%0.76777%0.774SS**  trans-75.8164.9178.7-30.20000112.8
367T30.5Very low30.1Very low120 Ų120125.3 Ų125.374%0.73677%0.766SS**  164.3110.3117.7-66.90000115.4
368I28.6Very low30.3Very low152 Ų152125.8 Ų125.878%0.77977%0.769SS**  42.7146.2127.8-42.5173.9000122.2
369A28.6Very low30.2Very low84 Ų84125.1 Ų125.169%0.69476%0.764SS**  trans98.5143.4152.400000117.8
370T29.2Very low30.5Very low128 Ų128126.6 Ų126.679%0.78577%0.767SS**  cis-162.9160.2-1617.10000110.4
371N28.7Very low30.5Very low151 Ų151125.4 Ų125.481%0.80777%0.767SS**  trans-19.6147.3164.3-50.3-18.9000119.4
372V33.6Very low30.6Very low145 Ų145130.2 Ų130.288%0.87978%0.779SS**  -152.2140.4115169.10000109.8
373S28.4Very low30.5Very low103 Ų103129.5 Ų129.572%0.7277%0.773SS**  trans-109.7146.4174.452.80000112
374M33.4Very low30.6Very low179 Ų179132.6 Ų132.688%0.88278%0.781SS**  trans-141.7141.5156.7-87.5-84.274.800110.5
375S28.1Very low30.5Very low93 Ų93130 Ų13065%0.6578%0.775SS**  trans-122.9155.1-175.946.50000110.9
376V32.6Very low30.4Very low150 Ų150128.9 Ų128.991%0.90977%0.767SS**  trans-134.6137.9161.4-178.20000108.2
377T28Very low30.6Very low105 Ų105129 Ų12964%0.64476%0.763SS**  trans-128.9139.2-166.8-45.20000110.5
378T33.9Very low30.5Very low136 Ų136128.6 Ų128.683%0.83476%0.757SS**  trans-161.7100.2151.820.10000106.8
379S30.6Very low30.8Very low90 Ų90128.9 Ų128.963%0.62976%0.759SS**  67.395.274.3-56.90000113.8
380N33.5Very low30.7Very low167 Ų167134.8 Ų134.889%0.89376%0.763SS**  -162.1146.6111.1-96.5-14.8000112.8
381T28.4Very low30.8Very low119 Ų119135.8 Ų135.873%0.7376%0.763SS**  trans-105.3151.8-167.947.90000112.3
382F31.5Very low30.8Very low213 Ų213133 Ų13393%0.93476%0.756SS**  -152151.4124.3-113.6-76.6000111
383S27.2Very low30.5Very low90 Ų90131.8 Ų131.863%0.62975%0.749SS**  trans-137.1144.9-157.655.70000113.2
384L33.1Very low30.6Very low163 Ų163134.3 Ų134.385%0.85375%0.753SS**  trans-155.1112142-89.8121000106.7
385S29Very low30.5Very low96 Ų96133.1 Ų133.167%0.67175%0.751SS**  50.2133.476.364.60000113.3
386S31.2Very low30.8Very low98 Ų98134.2 Ų134.269%0.68576%0.756SS**  cis-164.91776.2-1130000108.8
387N34.3Very low30.7Very low128 Ų128132.4 Ų132.468%0.68475%0.75SS**  cis-160.7164.910.8-118.2-8.1000112.5
388N29.2Very low30.8Very low111 Ų111136.4 Ų136.459%0.59476%0.759SS**  trans9.3147.2145.2-53.1-53.9000121.3
389L33.8Very low30.4Very low157 Ų157138.5 Ų138.582%0.82276%0.759SS**  cis-153.2131.448.5-89.891.9000110.5
390R26.6Very low30.5Very low209 Ų209141.8 Ų141.879%0.78977%0.769SS**  65.5103.679.8-74.8-165.1-176.9-164.12.4117.7
391N30.9Very low30.2Very low148 Ų148139 Ų13979%0.79176%0.759SS**  166.3113.8124.9-88.80.3000109.7
392S28.7Very low30.5Very low93 Ų93142.7 Ų142.765%0.6577%0.767SS**  62.8130.789.173.50000113.3
393T27.3Very low30.2Very low119 Ų119140.8 Ų140.873%0.7376%0.762SS**  cis-169.716721.8-12.10000111.6
394L30.9Very low30.5Very low156 Ų156143 Ų14382%0.81777%0.772SS**  trans69.4111.3151.8-65.9159.6000120.9
395N31.8Very low30.2Very low155 Ų155143.9 Ų143.983%0.82977%0.771SS**  trans-67.5158.1144.4-91.9-20.9000109.9
396P33.7Very low30.2Very low115 Ų115144.3 Ų144.375%0.74777%0.774SS**  -138.7155.4106.437.3-26.1000114.6
397S30.8Very low30Very low112 Ų112150.3 Ų150.378%0.78378%0.781SS**  trans-72.2137.3169.4490000111.9
398F30.9Very low29.6Very low190 Ų190151.3 Ų151.383%0.83379%0.787SS**  trans-131124.2159.4-113-94.7000110.2
399Q26Very low29.8Very low179 Ų179152.7 Ų152.784%0.83679%0.793SS**  trans-74.7141.8158.8-65.8170.8-66.200107.2
400D31.6Very low29.4Very low159 Ų159153.2 Ų153.285%0.8579%0.791SS**  trans-144.5152147.1-131.2-32.3000112.1
401T26.7Very low29.5Very low110 Ų110148.7 Ų148.768%0.67579%0.787SS**  trans-120116.2-155.8-520000110.8
402Q34.5Very low29.3Very low195 Ų195149.4 Ų149.491%0.91179%0.79SS**  trans-134.7117.3158-72.1-159.47.100112.3
403Q26.3Very low29.2Very low174 Ų174154.7 Ų154.781%0.81380%0.796SS**  trans-78.8130166.9-63.4168.7-19.800109.2
404T33.2Very low29.1Very low137 Ų137157.7 Ų157.784%0.8480%0.799SS**  trans-140.7134.8146.443.20000110.2
405H27.1Very low28.9Very low181 Ų181159.2 Ų159.284%0.83881%0.807SS**  trans-75.2138176.5-80.2-113.9000110.9
406S28.5Very low28.6Very low105 Ų105156.4 Ų156.473%0.73480%0.799SS**  177.3121.2111.9-830000116
407R26.7Very low28.2Very low223 Ų223155.4 Ų155.484%0.84280%0.795SS**  trans46.6112.4134.7-66.2177.9171168.8-1.6120.6
408N26.5Very low27.9Very low149 Ų149155.4 Ų155.480%0.79779%0.792SS**  trans68.4146.6148.5-55.7-39000114.7
409I32.3Very low27.9Very low141 Ų141153.5 Ų153.572%0.72379%0.79SS**  cis-144.6120.645.8-76.3170000110.6V411I409-V411 HydrophobicContact CG2-CB 3.63Å; I409-V411 HydrophobicContact CG2-CG2 3.26Å; I409-V411 PolarHBondContact O-N 2.89Å
410Q26.7Very low28.1Very low168 Ų168151.2 Ų151.279%0.78579%0.789SS**  trans-90.266.4174-166.1-179.137.700110.7
411V28.3Very low27.9Very low114 Ų114147.1 Ų147.169%0.69178%0.784SS**  trans-102.782.1-179.2169.70000111.2I409I409-V411 HydrophobicContact CG2-CB 3.63Å; I409-V411 HydrophobicContact CG2-CG2 3.26Å; I409-V411 PolarHBondContact O-N 2.89Å
412N27.6Very low28.3Very low162 Ų162149 Ų14987%0.86679%0.79SS**SBendtrans-166.342.5141.7-103.3-19.3000111.5
413R25.8Very low28.4Very low205 Ų205147.9 Ų147.977%0.77478%0.784SS**SBendtrans-145.673.5170.2-72.9-169.8-179.8169.51.2110.9
414K24.7Very low29.2Very low182 Ų182142.7 Ų142.779%0.79176%0.762SS**  trans168.988.8155.2-96162.9-176-177.70110.4
415L27.5Very low29.7Very low188 Ų188140 Ų14098%0.98474%0.74SS**  trans-112.355.4141.9-116.393000108.3
416S25.5Very low30.1Very low95 Ų95135.7 Ų135.766%0.66473%0.728SS**  trans-139.446.7175.453.80000109.4
417S24.8Very low30.5Very low95 Ų95132.3 Ų132.366%0.66470%0.704SS**  trans-74.6130.6154.842.90000107.9L419S417-L419 PolarHBondContact O-N 3.01Å
418P25.4Very low31.2Very low111 Ų111122 Ų12272%0.72167%0.665SS**  trans-63.5123.4165.527.6-31.4000107.2T420P418-T420 PolarHBondContact O-N 2.96Å
419L30.2Very low32Very low150 Ų150119.4 Ų119.479%0.78565%0.648SS**  trans-63.199.5171.4-87.3162.8000108.3S417 G421S417-L419 PolarHBondContact O-N 3.01Å; L419-G421 PolarHBondContact O-N 3Å
420T29.6Very low32.5Very low132 Ų132118.1 Ų118.181%0.8164%0.642SS**  trans-62.9105.917245.90000109.2P418P418-T420 PolarHBondContact O-N 2.96Å
421G27Very low33.1Very low73 Ų73112.8 Ų112.875%0.75362%0.618SS**SBendtrans6563.8157.800000117.1L419L419-G421 PolarHBondContact O-N 3Å
422N35.3Very low33.8Very low149 Ų149108.7 Ų108.780%0.79759%0.593SS**  trans-139127.4152.2-97.2-37.9000110.1I424N422-I424 PolarHBondContact O-N 3.41Å
423Q37.3Very low34.4Very low171 Ų171105.5 Ų105.580%0.79958%0.576SS**  trans-75.796.7-167.4-65.4-165.634.500112.5
424I43.3Very low35Very low65 Ų65102.7 Ų102.733%0.33357%0.565SS.*  trans-75.3126.9165.9-56.4177.8000108.5N422 L428 Q429 L432N422-I424 PolarHBondContact O-N 3.41Å; I424-L428 HydrophobicContact CG2-CB 3.89Å; I424-Q429 HydrophobicContact CB-CG 4.11Å; I424-Q429 HydrophobicContact CG2-CG 3.91Å; I424-L432 HydrophobicContact CG2-CD1 4.38Å
425H42.9Very low35.6Very low82 Ų8295.1 Ų95.138%0.3853%0.534SS..  trans-54.8135.8178.7-171-95.5000111.4S427 L428 Q429H425-S427 VanDerWaalsContact C-N 3.26Å; H425-S427 PolarHBondContact CE1-OG 2.93Å; H425-S427 VanDerWaalsContact CE1-OG 3.22Å; H425-S427 PolarHBondContact ND1-N 3.32Å; H425-S427 PolarHBondContact ND1-OG 3.27Å; H425-S427 PolarHBondContact O-N 3.01Å; H425-S427 VanDerWaalsContact O-N 3.12Å; H425-L428 WeakPolarHBondContact O-CA 3.24Å; H425-L428 WeakPolarHBondContact O-CB 3.13Å; H425-L428 PolarHBondContact O-N 3.45Å; H425-Q429 PolarHBondContact O-N 3.33Å
426P36.8Very low35.8Very low90 Ų9090.7 Ų90.758%0.58452%0.517SS*.Hα-helixtrans-55.3-36.6-173.6-29.135.6000114.5L428 Q429 L430P426-L428 VanDerWaalsContact C-N 3.31Å; P426-L428 PolarHBondContact O-N 2.73Å; P426-Q429 PolarHBondContact O-N 2.94Å; P426-L430 PolarHBondContact O-N 3.18Å
427S36.7Very low36.3Very low34 Ų3489.9 Ų89.924%0.23852%0.523CS..Hα-helixtrans-64.3-33.2175.3-44.40000112.9H425 I431H425-S427 VanDerWaalsContact C-N 3.26Å; H425-S427 PolarHBondContact CE1-OG 2.93Å; H425-S427 VanDerWaalsContact CE1-OG 3.22Å; H425-S427 PolarHBondContact ND1-N 3.32Å; H425-S427 PolarHBondContact ND1-OG 3.27Å; H425-S427 PolarHBondContact O-N 3.01Å; H425-S427 VanDerWaalsContact O-N 3.12Å; S427-I431 WeakPolarHBondContact O-CD1 3.31Å; S427-I431 VanDerWaalsContact O-CG1 3.29Å; S427-I431 WeakPolarHBondContact O-CG1 3.25Å; S427-I431 PolarHBondContact O-N 2.89Å
428L40.8Very low36.6Very low5 Ų591.2 Ų91.23%0.02652%0.523CS..Hα-helixtrans-74.8-39.6173.8-85.5168.1000111.2I424 H425 P426 L430 I431 L432 L864I424-L428 HydrophobicContact CG2-CB 3.89Å; H425-L428 WeakPolarHBondContact O-CA 3.24Å; H425-L428 WeakPolarHBondContact O-CB 3.13Å; H425-L428 PolarHBondContact O-N 3.45Å; P426-L428 VanDerWaalsContact C-N 3.31Å; P426-L428 PolarHBondContact O-N 2.73Å; L428-L430 VanDerWaalsContact C-N 3.28Å; L428-L430 PolarHBondContact O-N 2.9Å; L428-I431 PolarHBondContact O-N 3.3Å; L428-I431 VanDerWaalsContact O-N 3.15Å; L428-L432 WeakPolarHBondContact O-CB 3.49Å; L428-L432 WeakPolarHBondContact O-CD1 3.28Å; L428-L432 WeakPolarHBondContact O-CG 3.3Å; L428-L432 PolarHBondContact O-N 2.9Å; L428-L864 VanDerWaalsContact CD1-C 3.49Å; L428-L864 HydrophobicContact CD1-CB 4.03Å; L428-L864 HydrophobicContact CG-CB 4.4Å
429Q44Very low36.7Very low96 Ų9692.8 Ų92.845%0.44952%0.523SS..Hα-helixtrans-57.8-41.7170-83.8-157.20.100112I424 H425 P426 I431 L432 N433I424-Q429 HydrophobicContact CB-CG 4.11Å; I424-Q429 HydrophobicContact CG2-CG 3.91Å; H425-Q429 PolarHBondContact O-N 3.33Å; P426-Q429 PolarHBondContact O-N 2.94Å; Q429-I431 VanDerWaalsContact C-N 3.28Å; Q429-I431 PolarHBondContact O-N 3.04Å; Q429-L432 PolarHBondContact O-N 3.38Å; Q429-N433 WeakPolarHBondContact O-CB 3.5Å; Q429-N433 PolarHBondContact O-N 3.03Å; Q429-N433 PolarHBondContact O-ND2 3.41Å
430L41.3Very low36.6Very low114 Ų11491.8 Ų91.860%0.59752%0.519SS*.Hα-helixtrans-63.3-30.2176.7-84.9160.2000114P426 L428P426-L430 PolarHBondContact O-N 3.18Å; L428-L430 VanDerWaalsContact C-N 3.28Å; L428-L430 PolarHBondContact O-N 2.9Å
431I41.1Very low36.5Very low55 Ų5596 Ų9628%0.28253%0.526SS..Hα-helixtrans-79.3-43.6174.7-67.5164.1000110.5S427 L428 Q429 R434 L504 L861S427-I431 WeakPolarHBondContact O-CD1 3.31Å; S427-I431 VanDerWaalsContact O-CG1 3.29Å; S427-I431 WeakPolarHBondContact O-CG1 3.25Å; S427-I431 PolarHBondContact O-N 2.89Å; L428-I431 PolarHBondContact O-N 3.3Å; L428-I431 VanDerWaalsContact O-N 3.15Å; Q429-I431 VanDerWaalsContact C-N 3.28Å; Q429-I431 PolarHBondContact O-N 3.04Å; I431-R434 WeakPolarHBondContact O-CB 3.34Å; I431-R434 PolarHBondContact O-N 3.44Å; I431-R434 VanDerWaalsContact O-N 3.16Å; I431-L504 HydrophobicContact CG2-CD1 4.39Å; I431-L504 HydrophobicContact CG2-CD2 3.68Å; I431-L861 HydrophobicContact CD1-CD2 4.15Å
432L42.1Very low36.5Very low28 Ų2898.7 Ų98.715%0.14753%0.528CS..Hα-helixtrans-71.5-35.9-177.5-66.9168.6000112.8I424 L428 Q429 R434 T435 P500I424-L432 HydrophobicContact CG2-CD1 4.38Å; L428-L432 WeakPolarHBondContact O-CB 3.49Å; L428-L432 WeakPolarHBondContact O-CD1 3.28Å; L428-L432 WeakPolarHBondContact O-CG 3.3Å; L428-L432 PolarHBondContact O-N 2.9Å; Q429-L432 PolarHBondContact O-N 3.38Å; L432-R434 PolarHBondContact O-N 3.5Å; L432-T435 PolarHBondContact O-N 2.68Å; L432-T435 PolarHBondContact O-OG1 3.29Å; L432-P500 HydrophobicContact CD1-CB 3.49Å; L432-P500 VanDerWaalsContact CD1-CB 3.49Å; L432-P500 HydrophobicContact CD1-CG 4.22Å; L432-P500 HydrophobicContact CD2-CB 3.36Å; L432-P500 HydrophobicContact CG-CB 4.03Å
433N40.9Very low36.2Very low96 Ų9695.9 Ų95.951%0.51351%0.51SS..THydrogen-bonded Turntrans-65.8-1.5172.5-68.8-13000113Q429 Q443Q429-N433 WeakPolarHBondContact O-CB 3.5Å; Q429-N433 PolarHBondContact O-N 3.03Å; Q429-N433 PolarHBondContact O-ND2 3.41Å; N433-Q443 VanDerWaalsContact O-CD 3.27Å; N433-Q443 PolarHBondContact O-NE2 3.21Å; N433-Q443 PolarHBondContact O-OE1 2.94Å
434R37Very low35.7Very low146 Ų14693.2 Ų93.255%0.55151%0.505SS*.THydrogen-bonded Turntrans-106.82.7170.2-63.6178.6179.8-172.1-1.4114.1I431 L432I431-R434 WeakPolarHBondContact O-CB 3.34Å; I431-R434 PolarHBondContact O-N 3.44Å; I431-R434 VanDerWaalsContact O-N 3.16Å; L432-R434 PolarHBondContact O-N 3.5Å
435T37.4Very low35.3Very low23 Ų2394.9 Ų94.914%0.14152%0.519CS..SBendtrans-77.3142.3175.655.90000110.9L432 G437 L504L432-T435 PolarHBondContact O-N 2.68Å; L432-T435 PolarHBondContact O-OG1 3.29Å; T435-G437 PolarHBondContact O-N 2.76Å; T435-L504 HydrophobicContact CG2-CD1 4.04Å
436P32.1Very low35.4Very low95 Ų9598.8 Ų98.862%0.61753%0.53SS*.THydrogen-bonded Turntrans-69107-174.827.3-33.9000110.3
437G36.5Very low36.7Very low77 Ų7798.4 Ų98.479%0.79453%0.529SS*.THydrogen-bonded Turntrans175.7-19.7-177.300000114T435T435-G437 PolarHBondContact O-N 2.76Å
438N30.7Very low38.8Very low123 Ų12398.4 Ų98.466%0.65853%0.525SS*.SBendtrans-127.993.1179.6-153.91.7000112.8N440N438-N440 PolarHBondContact O-N 3.25Å
439I28.3Very low40.8Very low144 Ų144101.9 Ų101.974%0.73854%0.538SS*.  trans17.692.8147.5-46.6172000115.9
440N27.8Very low42.9Very low130 Ų13097.4 Ų97.470%0.69552%0.517SS*.  trans-179.2138.7132.5-90.5-31.3000111.3N438 T442N438-N440 PolarHBondContact O-N 3.25Å; N440-T442 PolarHBondContact O-N 3.5Å
441K27.9Very low45.1Very low220 Ų22092.3 Ų92.396%0.95749%0.491SS*.THydrogen-bonded Turntrans-71.120.3-165.3-90.1-170.2170.4-166.60117.1
442T27.3Very low47.4Very low129 Ų12990.1 Ų90.179%0.79148%0.48SS*.THydrogen-bonded Turntrans-137.810.3-168.949.80000115.5N440N440-T442 PolarHBondContact O-N 3.5Å
443Q27.4Very low49.3Very low90 Ų9090.5 Ų90.542%0.42148%0.481SS..  trans-86.9124.8176.1-73.6-171.2-19.500112.6N433 T445N433-Q443 VanDerWaalsContact O-CD 3.27Å; N433-Q443 PolarHBondContact O-NE2 3.21Å; N433-Q443 PolarHBondContact O-OE1 2.94Å; Q443-T445 PolarHBondContact O-N 3.46Å
444V28.3Very low51.1Low115 Ų11586.9 Ų86.970%0.69746%0.464SS*.  trans-61.4105170.9-179.20000109.1
445T35Very low53.4Low101 Ų10180 Ų8062%0.6244%0.439SS*.PPolyproline II helixtrans-65.2140.7166.648.70000108.9Q443Q443-T445 PolarHBondContact O-N 3.46Å
446R45.1Very low55.6Low163 Ų16381.1 Ų81.162%0.61545%0.447SS*.PPolyproline II helixtrans-68.7139.1169.5-118.6-173.8179.9-170.7-3.4108.9E508R446-E508 WeakPolarHBondContact CD-OE1 3.47Å; R446-E508 IonicContact CZ-OE1 2.7Å; R446-E508 IonicContact NE-OE1 3.62Å; R446-E508 IonicContact NH1-OE1 2.76Å; R446-E508 PolarHBondContact NH1-OE1 3.1Å; R446-E508 IonicContact NH1-OE2 3.63Å; R446-E508 PolarHBondContact NH1-OE2 3.44Å
447S62.5Low58.2Low82 Ų8283.4 Ų83.457%0.57345%0.449SS*.PPolyproline II helixtrans-57.5152.7171.8-51.40000111.1
448K81.5Confident60.8Low34 Ų3481.2 Ų81.215%0.14842%0.418CS..PPolyproline II helixtrans-61144.6176.2-63.6-74.2-176.2-175.60111S336 M450 Q453 S507 E508 C510 W543S336-K448 VanDerWaalsContact OG-CG 3.31Å; S336-K448 WeakPolarHBondContact OG-CG 3.39Å; K448-M450 HydrophobicContact CB-CE 4.01Å; K448-Q453 PolarHBondContact O-OE1 3.16Å; K448-S507 PolarHBondContact NZ-O 2.93Å; K448-E508 CarbonylContact C-O 3.45Å; K448-E508 VanDerWaalsContact CA-O 3.27Å; K448-E508 WeakPolarHBondContact CA-O 3.39Å; K448-E508 VanDerWaalsContact CD-O 3.3Å; K448-E508 WeakPolarHBondContact CD-O 3.37Å; K448-C510 PolarHBondContact NZ-O 3.07Å; K448-W543 HydrophobicContact CB-CD2 3.55Å; K448-W543 HydrophobicContact CB-CE3 3.62Å; K448-W543 HydrophobicContact CB-CG 4.12Å; K448-W543 HydrophobicContact CB-CH2 3.92Å; K448-W543 HydrophobicContact CB-CZ2 3.86Å; K448-W543 HydrophobicContact CB-CZ3 3.83Å; K448-W543 HydrophobicContact CD-CB 4.19Å; K448-W543 HydrophobicContact CD-CD2 4.23Å; K448-W543 HydrophobicContact CD-CG 3.88Å; K448-W543 HydrophobicContact CG-CD2 3.6Å; K448-W543 HydrophobicContact CG-CE3 4.22Å; K448-W543 HydrophobicContact CG-CG 3.75Å; K448-W543 HydrophobicContact CG-CZ2 3.96Å
449W83.6Confident63.7Low79 Ų7975.3 Ų75.330%0.29939%0.387SS..  trans-139.492.3-169-168.9-117.7000112.5Q453 A454 E508 W854W449-Q453 HydrophobicContact CE3-CB 4.16Å; W449-Q453 WeakPolarHBondContact CH2-O 3.18Å; W449-Q453 HydrophobicContact CZ3-CB 4.03Å; W449-A454 HydrophobicContact CH2-CB 4.47Å; W449-A454 VanDerWaalsContact CZ2-CA 3.48Å; W449-A454 HydrophobicContact CZ2-CB 3.69Å; W449-E508 HydrophobicContact CB-CB 4.27Å; W449-E508 PolarHBondContact N-O 2.72Å; W449-W854 AromaticContact CD1-CD1 3.52Å; W449-W854 AromaticContact CD1-NE1 3.5Å; W449-W854 AromaticContact NE1-CD1 3.58Å; W449-W854 PolarHBondContact O-NE1 2.9Å
450M86.6Confident66.7Low2 Ų269.3 Ų69.31%0.0136%0.361CS..  trans-87.3157179.2-56.2-51.5102.400112.4K448 C452 Q453 A454 E508 L509 W543 F563K448-M450 HydrophobicContact CB-CE 4.01Å; M450-C452 VanDerWaalsContact C-N 3.3Å; M450-C452 PolarHBondContact O-N 2.69Å; M450-Q453 HydrophobicContact CB-CG 4.21Å; M450-Q453 WeakPolarHBondContact O-CB 3.36Å; M450-Q453 PolarHBondContact O-N 2.92Å; M450-A454 PolarHBondContact O-N 3.29Å; M450-E508 VanDerWaalsContact CE-O 3.31Å; M450-E508 WeakPolarHBondContact CE-O 3.22Å; M450-L509 HydrophobicContact CE-CD1 4.29Å; M450-L509 VanDerWaalsContact CE-O 3.28Å; M450-L509 WeakPolarHBondContact CE-O 3.34Å; M450-L509 HydrophobicContact SD-CD1 3.88Å; M450-W543 HydrophobicContact CE-CB 4.09Å; M450-W543 HydrophobicContact CE-CD2 4.35Å; M450-W543 HydrophobicContact CE-CE3 3.69Å; M450-W543 HydrophobicContact CE-CZ3 4.48Å; M450-W543 HydrophobicContact CG-CE3 4.1Å; M450-W543 HydrophobicContact CG-CZ3 4.38Å; M450-W543 HydrophobicContact SD-CE3 4.12Å; M450-F563 HydrophobicContact CB-CZ 4.47Å; M450-F563 HydrophobicContact CG-CE1 4.43Å; M450-F563 HydrophobicContact CG-CE2 4.35Å; M450-F563 HydrophobicContact CG-CZ 3.66Å
451P88.9Confident70Confident6 Ų667 Ų674%0.03935%0.345CS..Hα-helixtrans-52.2-44.8171.3-27.334.8000113.7Q453 A454 S455 F488 M850 V851 W854P451-Q453 PolarHBondContact O-N 3.29Å; P451-Q453 VanDerWaalsContact O-N 3.15Å; P451-A454 WeakPolarHBondContact O-CB 3.26Å; P451-A454 PolarHBondContact O-N 2.67Å; P451-A454 VanDerWaalsContact O-N 3.1Å; P451-S455 PolarHBondContact O-N 3.48Å; P451-F488 HydrophobicContact CG-CZ 4.44Å; P451-M850 VanDerWaalsContact C-CG 3.48Å; P451-M850 HydrophobicContact CB-CE 4.2Å; P451-M850 HydrophobicContact CB-CG 3.87Å; P451-M850 HydrophobicContact CB-SD 4.45Å; P451-M850 WeakPolarHBondContact O-CG 3.24Å; P451-V851 HydrophobicContact CB-CG2 4.16Å; P451-V851 HydrophobicContact CG-CG2 4.28Å; P451-W854 HydrophobicContact CB-CB 4.16Å; P451-W854 HydrophobicContact CB-CD2 4.44Å; P451-W854 HydrophobicContact CB-CG 4.17Å; P451-W854 HydrophobicContact CG-CB 4.48Å; P451-W854 HydrophobicContact CG-CD2 3.81Å; P451-W854 HydrophobicContact CG-CE3 4.01Å; P451-W854 HydrophobicContact CG-CG 4.01Å
452C88.5Confident73.2Confident9 Ų956.6 Ų56.66%0.06130%0.3CS..Hα-helixtrans-65.8-15.2178.365.50000114.8M450 A459 V562 M850M450-C452 VanDerWaalsContact C-N 3.3Å; M450-C452 PolarHBondContact O-N 2.69Å; C452-A459 HydrophobicContact CB-CB 3.94Å; C452-V562 HydrophobicContact CB-CB 4.38Å; C452-V562 HydrophobicContact CB-CG1 4Å; C452-M850 WeakPolarHBondContact CA-SD 3.3Å; C452-M850 HydrophobicContact CB-SD 3.83Å
453Q83.2Confident76.5Confident37 Ų3751.7 Ų51.717%0.17327%0.268CS..Hα-helixtrans-91.1-25.8174.7-66.5172.7-51.500112.7N220 K448 W449 M450 P451 F563N220-Q453 WeakPolarHBondContact ND2-CA 3.39Å; N220-Q453 PolarHBondContact ND2-O 2.94Å; K448-Q453 PolarHBondContact O-OE1 3.16Å; W449-Q453 HydrophobicContact CE3-CB 4.16Å; W449-Q453 WeakPolarHBondContact CH2-O 3.18Å; W449-Q453 HydrophobicContact CZ3-CB 4.03Å; M450-Q453 HydrophobicContact CB-CG 4.21Å; M450-Q453 WeakPolarHBondContact O-CB 3.36Å; M450-Q453 PolarHBondContact O-N 2.92Å; P451-Q453 PolarHBondContact O-N 3.29Å; P451-Q453 VanDerWaalsContact O-N 3.15Å; Q453-F563 HydrophobicContact CG-CE2 4.33Å
454A78Confident79.8Confident19 Ų1952.3 Ų52.316%0.15727%0.274CS..Hα-helixtrans-69.3-47.8172.200000111.1W449 M450 P451 P456 W854W449-A454 HydrophobicContact CH2-CB 4.47Å; W449-A454 VanDerWaalsContact CZ2-CA 3.48Å; W449-A454 HydrophobicContact CZ2-CB 3.69Å; M450-A454 PolarHBondContact O-N 3.29Å; P451-A454 WeakPolarHBondContact O-CB 3.26Å; P451-A454 PolarHBondContact O-N 2.67Å; P451-A454 VanDerWaalsContact O-N 3.1Å; A454-P456 WeakPolarHBondContact O-CD 3.43Å; A454-W854 HydrophobicContact CB-CB 3.85Å; A454-W854 HydrophobicContact CB-CG 4.45Å
455S84.2Confident83Confident3 Ų350 Ų502%0.02126%0.257CS..  trans-114.464.8-175.4-44.40000112.4P451 H457 I458 A459 E853P451-S455 PolarHBondContact O-N 3.48Å; S455-H457 PolarHBondContact O-N 2.94Å; S455-H457 VanDerWaalsContact O-N 3.13Å; S455-I458 PolarHBondContact O-N 3.08Å; S455-A459 WeakPolarHBondContact O-CB 3.48Å; S455-A459 PolarHBondContact O-N 3.39Å; S455-E853 VanDerWaalsContact CB-OE2 3.24Å; S455-E853 WeakPolarHBondContact CB-OE2 3.39Å; S455-E853 VanDerWaalsContact OG-CD 3.24Å; S455-E853 PolarHBondContact OG-OE2 3.25Å
456P83.9Confident85.8Confident46 Ų4645.7 Ų45.730%0.29923%0.23SC..Hα-helixtrans-62.4-24.9-172.925.4-34.9000114N220 A454 G460N220-P456 HydrophobicContact CB-CG 4.39Å; A454-P456 WeakPolarHBondContact O-CD 3.43Å; P456-G460 PolarHBondContact O-N 2.82Å
457H87.4Confident88.3Confident143 Ų14340.1 Ų40.166%0.66222%0.219SC*.Hα-helixtrans-69.2-53.8174.4-164-71.8000111.4S455 A459 G460 E461S455-H457 PolarHBondContact O-N 2.94Å; S455-H457 VanDerWaalsContact O-N 3.13Å; H457-A459 VanDerWaalsContact C-N 3.28Å; H457-A459 PolarHBondContact O-N 2.9Å; H457-G460 WeakPolarHBondContact O-CA 3.15Å; H457-G460 PolarHBondContact O-N 2.81Å; H457-E461 IonicContact CE1-OE1 3.23Å; H457-E461 PolarHBondContact CE1-OE1 2.82Å; H457-E461 IonicContact ND1-OE1 2.78Å; H457-E461 PolarHBondContact ND1-OE1 2.78Å; H457-E461 PolarHBondContact O-N 2.81Å
458I92Very high89.9Confident30 Ų3043 Ų4315%0.15422%0.221CC..Hα-helixtrans-59.7-41.4177.2-55.1-177.4000110.4S455 G460 E461 L462 L846 N849 M850S455-I458 PolarHBondContact O-N 3.08Å; I458-G460 VanDerWaalsContact C-N 3.29Å; I458-G460 PolarHBondContact O-N 2.85Å; I458-E461 PolarHBondContact O-N 3.12Å; I458-L462 WeakPolarHBondContact O-CB 3.31Å; I458-L462 PolarHBondContact O-N 3.46Å; I458-L846 HydrophobicContact CG2-CB 3.87Å; I458-L846 HydrophobicContact CG2-CD2 4.09Å; I458-L846 WeakPolarHBondContact CG2-O 3.44Å; I458-N849 HydrophobicContact CD1-CB 3.97Å; I458-M850 HydrophobicContact CG2-CB 4.08Å
459A90.8Very high90.6Very high0 Ų042 Ų420%022%0.218CC..Hα-helixtrans-65-33.4175.800000112.1C452 S455 H457 R463 V562 M850C452-A459 HydrophobicContact CB-CB 3.94Å; S455-A459 WeakPolarHBondContact O-CB 3.48Å; S455-A459 PolarHBondContact O-N 3.39Å; H457-A459 VanDerWaalsContact C-N 3.28Å; H457-A459 PolarHBondContact O-N 2.9Å; A459-R463 VanDerWaalsContact CB-NH1 3.31Å; A459-R463 WeakPolarHBondContact O-CG 3.31Å; A459-R463 PolarHBondContact O-N 3.33Å; A459-R463 PolarHBondContact O-NH1 3.39Å; A459-V562 HydrophobicContact CB-CG1 4.19Å; A459-M850 HydrophobicContact CB-SD 3.91Å
460G91.4Very high91.2Very high18 Ų1839.2 Ų39.219%0.18621%0.209CC..Hα-helixtrans-67.5-51.6172.900000112.4P456 H457 I458 L462 R463 D464P456-G460 PolarHBondContact O-N 2.82Å; H457-G460 WeakPolarHBondContact O-CA 3.15Å; H457-G460 PolarHBondContact O-N 2.81Å; I458-G460 VanDerWaalsContact C-N 3.29Å; I458-G460 PolarHBondContact O-N 2.85Å; G460-L462 PolarHBondContact O-N 2.93Å; G460-R463 PolarHBondContact O-N 2.95Å; G460-D464 PolarHBondContact O-N 3.01Å
461E96.4Very high91.7Very high80 Ų8043 Ų4337%0.37423%0.226SC..Hα-helixtrans-53.7-40.9174.4-71.6172.5-137.900112.3H457 I458 D464 L465 L846H457-E461 IonicContact CE1-OE1 3.23Å; H457-E461 PolarHBondContact CE1-OE1 2.82Å; H457-E461 IonicContact ND1-OE1 2.78Å; H457-E461 PolarHBondContact ND1-OE1 2.78Å; H457-E461 PolarHBondContact O-N 2.81Å; I458-E461 PolarHBondContact O-N 3.12Å; E461-D464 PolarHBondContact O-N 2.95Å; E461-L465 WeakPolarHBondContact O-CB 3.45Å; E461-L465 PolarHBondContact O-N 3.29Å; E461-L846 HydrophobicContact CB-CD1 4.16Å
462L95.2Very high91.8Very high2 Ų247.7 Ų47.71%0.0125%0.247CC..Hα-helixtrans-65.1-40.1176.9179.656.8000111.8I458 G460 L465 L466 W560 V562 L846 V847I458-L462 WeakPolarHBondContact O-CB 3.31Å; I458-L462 PolarHBondContact O-N 3.46Å; G460-L462 PolarHBondContact O-N 2.93Å; L462-L465 WeakPolarHBondContact O-CB 3.45Å; L462-L465 PolarHBondContact O-N 2.76Å; L462-L466 HydrophobicContact CD1-CD1 4.43Å; L462-L466 HydrophobicContact CD1-CG 4.37Å; L462-L466 HydrophobicContact CG-CD1 4.28Å; L462-L466 WeakPolarHBondContact O-CB 3.44Å; L462-L466 VanDerWaalsContact O-CG 3.22Å; L462-L466 WeakPolarHBondContact O-CG 3.32Å; L462-L466 PolarHBondContact O-N 3.29Å; L462-W560 HydrophobicContact CD2-CB 4.33Å; L462-V562 HydrophobicContact CD2-CG1 3.84Å; L462-L846 HydrophobicContact CB-CB 4.32Å; L462-L846 HydrophobicContact CB-CD1 4.05Å; L462-L846 HydrophobicContact CD1-CB 4.43Å; L462-L846 HydrophobicContact CD1-CD1 4.38Å; L462-V847 HydrophobicContact CD1-CG2 4.48Å; L462-V847 HydrophobicContact CD2-CG2 3.57Å
463R96.4Very high91.8Very high27 Ų2749.1 Ų49.110%0.10226%0.257CS..Hα-helixtrans-71.2-36.6176.7-68.3-176.7-47.4-90.60.7111.9A459 G460 L465 L466 A467 V562 F563 E566A459-R463 VanDerWaalsContact CB-NH1 3.31Å; A459-R463 WeakPolarHBondContact O-CG 3.31Å; A459-R463 PolarHBondContact O-N 3.33Å; A459-R463 PolarHBondContact O-NH1 3.39Å; G460-R463 PolarHBondContact O-N 2.95Å; R463-L465 VanDerWaalsContact C-N 3.29Å; R463-L465 PolarHBondContact O-N 3.17Å; R463-L466 PolarHBondContact O-N 3.16Å; R463-A467 WeakPolarHBondContact O-CB 3.05Å; R463-A467 PolarHBondContact O-N 2.67Å; R463-V562 HydrophobicContact CG-CB 4.47Å; R463-V562 HydrophobicContact CG-CG2 4.05Å; R463-F563 WeakPolarHBondContact CD-O 3.42Å; R463-E566 WeakPolarHBondContact CD-OE2 3.47Å; R463-E566 IonicContact CZ-OE1 2.68Å; R463-E566 VanDerWaalsContact CZ-OE1 3.31Å; R463-E566 IonicContact CZ-OE2 2.78Å; R463-E566 VanDerWaalsContact NE-CD 3.26Å; R463-E566 IonicContact NE-OE1 2.7Å; R463-E566 PolarHBondContact NE-OE1 2.92Å; R463-E566 IonicContact NE-OE2 3.51Å; R463-E566 PolarHBondContact NE-OE2 3.15Å; R463-E566 IonicContact NH2-OE1 3.67Å; R463-E566 PolarHBondContact NH2-OE1 3.15Å; R463-E566 IonicContact NH2-OE2 3.1Å
464D96.3Very high91.9Very high102 Ų10257.2 Ų57.255%0.54529%0.292SS..Hα-helixtrans-63.2-33.2170.1-79.6-14.7000113G460 E461 K468G460-D464 PolarHBondContact O-N 3.01Å; E461-D464 PolarHBondContact O-N 2.95Å; D464-K468 VanDerWaalsContact O-CD 3.3Å; D464-K468 WeakPolarHBondContact O-CD 3.45Å; D464-K468 VanDerWaalsContact O-CE 3.24Å; D464-K468 WeakPolarHBondContact O-CE 3.13Å; D464-K468 WeakPolarHBondContact O-CG 3.36Å
465L95.7Very high92.3Very high67 Ų6758.9 Ų58.935%0.35131%0.311SS..Hα-helixtrans-70.9-48.4173.1-17964.3000110.8E461 L462 R463 A467 K468 T469 H844 L846E461-L465 WeakPolarHBondContact O-CB 3.45Å; E461-L465 PolarHBondContact O-N 3.29Å; L462-L465 WeakPolarHBondContact O-CB 3.45Å; L462-L465 PolarHBondContact O-N 2.76Å; R463-L465 VanDerWaalsContact C-N 3.29Å; R463-L465 PolarHBondContact O-N 3.17Å; L465-A467 VanDerWaalsContact C-N 3.32Å; L465-A467 PolarHBondContact O-N 3.39Å; L465-K468 WeakPolarHBondContact O-CB 3.4Å; L465-K468 PolarHBondContact O-N 2.86Å; L465-T469 PolarHBondContact O-N 3.43Å; L465-H844 VanDerWaalsContact CD2-CE1 3.41Å; L465-H844 WeakPolarHBondContact CD2-CE1 3.4Å; L465-H844 WeakPolarHBondContact CD2-NE2 3.31Å; L465-L846 HydrophobicContact CD2-CD1 4.47Å
466L95Very high92.5Very high10 Ų1066.4 Ų66.45%0.05235%0.351CS..Hα-helixtrans-59.7-39.8178.3-70.8172.6000112.2L462 R463 K468 T469 F482 W560 V562L462-L466 HydrophobicContact CD1-CD1 4.43Å; L462-L466 HydrophobicContact CD1-CG 4.37Å; L462-L466 HydrophobicContact CG-CD1 4.28Å; L462-L466 WeakPolarHBondContact O-CB 3.44Å; L462-L466 VanDerWaalsContact O-CG 3.22Å; L462-L466 WeakPolarHBondContact O-CG 3.32Å; L462-L466 PolarHBondContact O-N 3.29Å; R463-L466 PolarHBondContact O-N 3.16Å; L466-K468 PolarHBondContact O-N 2.72Å; L466-T469 PolarHBondContact O-N 3.43Å; L466-T469 PolarHBondContact O-OG1 3.36Å; L466-F482 HydrophobicContact CB-CE1 4.31Å; L466-W560 HydrophobicContact CD1-CB 4.32Å; L466-W560 HydrophobicContact CD1-CD2 3.81Å; L466-W560 HydrophobicContact CD1-CE3 3.82Å; L466-W560 HydrophobicContact CD1-CG 4.02Å; L466-W560 HydrophobicContact CD1-CZ3 4.48Å; L466-W560 HydrophobicContact CD2-CD2 3.64Å; L466-W560 HydrophobicContact CD2-CE3 4.01Å; L466-W560 HydrophobicContact CD2-CG 4.19Å; L466-W560 HydrophobicContact CD2-CH2 4Å; L466-W560 HydrophobicContact CD2-CZ2 3.6Å; L466-W560 HydrophobicContact CD2-CZ3 4.18Å; L466-W560 HydrophobicContact CG-CD2 4.39Å; L466-V562 HydrophobicContact CD1-CG2 4.41Å
467A96.1Very high93Very high46 Ų4665.4 Ų65.438%0.3834%0.341SS..Hα-helixtrans-58.6-29.6174.100000113.2R463 L465R463-A467 WeakPolarHBondContact O-CB 3.05Å; R463-A467 PolarHBondContact O-N 2.67Å; L465-A467 VanDerWaalsContact C-N 3.32Å; L465-A467 PolarHBondContact O-N 3.39Å
468K96.7Very high93.4Very high143 Ų14360.4 Ų60.462%0.62232%0.322SS*.Hα-helixtrans-82-14.6176.8-62160.8-168.9161.20113.2D464 L465 L466 K471D464-K468 VanDerWaalsContact O-CD 3.3Å; D464-K468 WeakPolarHBondContact O-CD 3.45Å; D464-K468 VanDerWaalsContact O-CE 3.24Å; D464-K468 WeakPolarHBondContact O-CE 3.13Å; D464-K468 WeakPolarHBondContact O-CG 3.36Å; L465-K468 WeakPolarHBondContact O-CB 3.4Å; L465-K468 PolarHBondContact O-N 2.86Å; L466-K468 PolarHBondContact O-N 2.72Å; K468-K471 PolarHBondContact O-NZ 3.01Å
469T96Very high93.6Very high13 Ų1359 Ų598%0.0832%0.315CS..Hα-helixtrans-83.7-13.3175.4720000112.5L465 L466 K471 F482 S483 E484L465-T469 PolarHBondContact O-N 3.43Å; L466-T469 PolarHBondContact O-N 3.43Å; L466-T469 PolarHBondContact O-OG1 3.36Å; T469-K471 PolarHBondContact O-N 3.03Å; T469-F482 WeakPolarHBondContact OG1-CD1 3.31Å; T469-S483 WeakPolarHBondContact CB-OG 3.47Å; T469-S483 WeakPolarHBondContact O-CB 3.34Å; T469-S483 PolarHBondContact O-N 2.96Å; T469-S483 PolarHBondContact O-OG 2.88Å; T469-E484 HydrophobicContact CG2-CB 4.16Å; T469-E484 HydrophobicContact CG2-CG 3.57Å
470V96.9Very high93.9Very high20 Ų2059 Ų5912%0.12132%0.315CS..EExtended strand (participates in β ladder)trans-62135.6170.4-173.30000109.7A480 Y481 F482 T572V470-A480 HydrophobicContact CG1-CB 4.42Å; V470-Y481 CarbonylContact C-O 3.46Å; V470-Y481 WeakPolarHBondContact CA-O 3.44Å; V470-F482 HydrophobicContact CG2-CD2 4.34Å; V470-F482 HydrophobicContact CG2-CE1 4.16Å; V470-F482 HydrophobicContact CG2-CE2 3.94Å; V470-F482 HydrophobicContact CG2-CZ 3.84Å; V470-T572 HydrophobicContact CG1-CG2 3.92Å
471K96.2Very high94.1Very high82 Ų8260.6 Ų60.636%0.35732%0.315SS..EExtended strand (participates in β ladder)trans-135.1152.8178.1-56.1-62155.2-131.80109K468 T469 A480 Y481K468-K471 PolarHBondContact O-NZ 3.01Å; T469-K471 PolarHBondContact O-N 3.03Å; K471-A480 CarbonylContact O-C 3.58Å; K471-A480 VanDerWaalsContact O-CA 3.28Å; K471-A480 WeakPolarHBondContact O-CA 3.45Å; K471-Y481 HydrophobicContact CB-CD1 4.17Å; K471-Y481 HydrophobicContact CB-CD2 4.34Å; K471-Y481 HydrophobicContact CB-CE1 3.6Å; K471-Y481 HydrophobicContact CB-CE2 3.86Å; K471-Y481 VanDerWaalsContact CB-CZ 3.45Å; K471-Y481 HydrophobicContact CG-CE2 4.1Å; K471-Y481 PolarHBondContact N-O 3.42Å; K471-Y481 WeakPolarHBondContact O-CD1 3.44Å; K471-Y481 PolarHBondContact O-N 3.45Å
472H92.3Very high94.1Very high104 Ų10457 Ų5748%0.48130%0.298SS..EExtended strand (participates in β ladder)trans-114.8125.4178-66.172.4000109.4E575H472-E575 IonicContact CD2-OE1 3.5Å; H472-E575 PolarHBondContact CD2-OE1 3.08Å; H472-E575 IonicContact CE1-OE1 4Å; H472-E575 IonicContact CE1-OE2 2.75Å; H472-E575 IonicContact NE2-OE1 3.44Å; H472-E575 PolarHBondContact NE2-OE1 3.3Å; H472-E575 IonicContact NE2-OE2 3.46Å; H472-E575 PolarHBondContact NE2-OE2 2.95Å; H472-E575 VanDerWaalsContact NE2-OE2 3.13Å
473C88.3Confident94.1Very high40 Ų4058.7 Ų58.727%0.2731%0.311SS..  trans-77.9156.1171.9-93.10000111.8Y481 W671C473-Y481 HydrophobicContact CB-CE1 4.45Å; C473-Y481 WeakPolarHBondContact SG-CE1 3.2Å; C473-W671 HydrophobicContact CB-CH2 3.96Å; C473-W671 VanDerWaalsContact SG-CH2 3.54Å
474K85.3Confident93.9Very high207 Ų20762.8 Ų62.890%0.933%0.331SS*.  trans-117146.5168.5-62.2-175.8-179.8-176.10108.5
475G87Confident93.8Very high54 Ų5463.3 Ų63.356%0.55733%0.325SS*.SBendtrans116.8-164.2-176.300000111.7F477G475-F477 PolarHBondContact O-N 2.71Å; G475-F477 VanDerWaalsContact O-N 3.08Å
476D88.2Confident93.7Very high161 Ų16160.7 Ų60.786%0.86131%0.314SS*.SBendtrans-69.4-6.9-168.4-50-27.8000115N583D476-N583 PolarHBondContact O-ND2 3.32Å
477F94.1Very high93.8Very high24 Ų2461.2 Ų61.211%0.10532%0.318CS..  trans-135.281.5171.7-173-126.2000109.8G475 C479 C580 N583 F584 H635 L670 W671G475-F477 PolarHBondContact O-N 2.71Å; G475-F477 VanDerWaalsContact O-N 3.08Å; F477-C479 HydrophobicContact CD1-CB 3.82Å; F477-C479 HydrophobicContact CD2-CB 4.3Å; F477-C479 HydrophobicContact CE1-CB 3.44Å; F477-C479 VanDerWaalsContact CE1-CB 3.44Å; F477-C479 HydrophobicContact CE2-CB 3.96Å; F477-C479 HydrophobicContact CG-CB 4.25Å; F477-C479 HydrophobicContact CZ-CB 3.51Å; F477-C479 PolarHBondContact O-N 3.32Å; F477-C580 HydrophobicContact CD2-CB 3.81Å; F477-C580 VanDerWaalsContact CD2-SG 3.53Å; F477-C580 HydrophobicContact CE2-CB 3.6Å; F477-N583 HydrophobicContact CD2-CB 3.94Å; F477-N583 HydrophobicContact CE2-CB 4.07Å; F477-F584 HydrophobicContact CE2-CE2 4.06Å; F477-F584 HydrophobicContact CE2-CZ 4.05Å; F477-F584 HydrophobicContact CZ-CE2 4.33Å; F477-F584 AromaticContact CZ-CZ 3.93Å; F477-F584 HydrophobicContact CZ-CZ 3.93Å; F477-H635 AromaticContact CE1-CD2 3.98Å; F477-H635 HydrophobicContact CZ-CB 4.19Å; F477-H635 AromaticContact CZ-CD2 3.75Å; F477-L670 HydrophobicContact CD1-CB 4.36Å; F477-L670 HydrophobicContact CD2-CB 4.46Å; F477-L670 HydrophobicContact CD2-CD1 4.44Å; F477-L670 HydrophobicContact CE1-CB 3.9Å; F477-L670 HydrophobicContact CE2-CB 4.03Å; F477-L670 HydrophobicContact CE2-CD1 3.61Å; F477-L670 HydrophobicContact CE2-CG 4.48Å; F477-L670 HydrophobicContact CZ-CB 3.72Å; F477-L670 HydrophobicContact CZ-CD1 3.81Å; F477-L670 HydrophobicContact CZ-CG 4.43Å; F477-W671 HydrophobicContact CD1-CD2 4.07Å; F477-W671 HydrophobicContact CD1-CE3 4.12Å; F477-W671 HydrophobicContact CD1-CH2 4Å; F477-W671 HydrophobicContact CD1-CZ2 4.01Å; F477-W671 HydrophobicContact CD1-CZ3 4.07Å; F477-W671 AromaticContact CE1-CD2 3.9Å; F477-W671 HydrophobicContact CE1-CD2 3.9Å; F477-W671 AromaticContact CE1-CE2 3.59Å; F477-W671 HydrophobicContact CE1-CE3 4.42Å; F477-W671 HydrophobicContact CE1-CG 4.27Å; F477-W671 HydrophobicContact CE1-CH2 4.32Å; F477-W671 AromaticContact CE1-CZ2 3.85Å; F477-W671 HydrophobicContact CE1-CZ2 3.85Å; F477-W671 AromaticContact CE1-NE1 3.8Å
478P94.9Very high93.8Very high39 Ų3959.3 Ų59.325%0.25330%0.301SS..  trans-77.341.2-175.834.5-38.3000113.1N579 C580P478-N579 HydrophobicContact CG-CB 4.17Å; P478-N579 VanDerWaalsContact CG-O 3.29Å; P478-N579 WeakPolarHBondContact CG-O 3.15Å; P478-C580 VanDerWaalsContact C-SG 3.51Å; P478-C580 VanDerWaalsContact CD-SG 3.59Å
479C96.7Very high93.7Very high0 Ų052.6 Ų52.60%027%0.272CS..  trans-72.2129.8-177.2-174.90000110.2F477 S576 C580 W671F477-C479 HydrophobicContact CD1-CB 3.82Å; F477-C479 HydrophobicContact CD2-CB 4.3Å; F477-C479 HydrophobicContact CE1-CB 3.44Å; F477-C479 VanDerWaalsContact CE1-CB 3.44Å; F477-C479 HydrophobicContact CE2-CB 3.96Å; F477-C479 HydrophobicContact CG-CB 4.25Å; F477-C479 HydrophobicContact CZ-CB 3.51Å; F477-C479 PolarHBondContact O-N 3.32Å; C479-S576 PolarHBondContact SG-OG 3.47Å; C479-S576 VanDerWaalsContact SG-OG 3.38Å; C479-C580 VanDerWaalsContact CA-SG 3.52Å; C479-C580 PolarHBondContact N-SG 3.17Å; C479-W671 HydrophobicContact CB-CH2 4.35Å; C479-W671 HydrophobicContact CB-CZ2 3.77Å
480A97.1Very high93.5Very high0 Ų052 Ų520%027%0.269CS..EExtended strand (participates in β ladder)trans-76.6134.4171.200000110V470 K471 T572 S576 V636V470-A480 HydrophobicContact CG1-CB 4.42Å; K471-A480 CarbonylContact O-C 3.58Å; K471-A480 VanDerWaalsContact O-CA 3.28Å; K471-A480 WeakPolarHBondContact O-CA 3.45Å; A480-T572 HydrophobicContact CB-CG2 3.72Å; A480-S576 PolarHBondContact N-OG 2.81Å; A480-S576 PolarHBondContact O-OG 2.89Å; A480-V636 WeakPolarHBondContact O-CA 3.24Å
481Y96.6Very high93.3Very high51 Ų5151.5 Ų51.520%0.227%0.266CS..EExtended strand (participates in β ladder)trans-140.1154.1-170.570.6-87.6000113.7V470 K471 C473 V636 W671V470-Y481 CarbonylContact C-O 3.46Å; V470-Y481 WeakPolarHBondContact CA-O 3.44Å; K471-Y481 HydrophobicContact CB-CD1 4.17Å; K471-Y481 HydrophobicContact CB-CD2 4.34Å; K471-Y481 HydrophobicContact CB-CE1 3.6Å; K471-Y481 HydrophobicContact CB-CE2 3.86Å; K471-Y481 VanDerWaalsContact CB-CZ 3.45Å; K471-Y481 HydrophobicContact CG-CE2 4.1Å; K471-Y481 PolarHBondContact N-O 3.42Å; K471-Y481 WeakPolarHBondContact O-CD1 3.44Å; K471-Y481 PolarHBondContact O-N 3.45Å; C473-Y481 HydrophobicContact CB-CE1 4.45Å; C473-Y481 WeakPolarHBondContact SG-CE1 3.2Å; Y481-V636 CarbonylContact C-O 3.5Å; Y481-V636 WeakPolarHBondContact CA-O 3.29Å; Y481-W671 HydrophobicContact CD1-CH2 4.34Å; Y481-W671 HydrophobicContact CD1-CZ2 4.27Å
482F96.1Very high93Very high4 Ų450.5 Ų50.52%0.01826%0.26CS..EExtended strand (participates in β ladder)trans-81.6128.1171.9-77.9-110.2000110.5L466 T469 V470 W560 L569 T572 V636 L637 R638L466-F482 HydrophobicContact CB-CE1 4.31Å; T469-F482 WeakPolarHBondContact OG1-CD1 3.31Å; V470-F482 HydrophobicContact CG2-CD2 4.34Å; V470-F482 HydrophobicContact CG2-CE1 4.16Å; V470-F482 HydrophobicContact CG2-CE2 3.94Å; V470-F482 HydrophobicContact CG2-CZ 3.84Å; F482-W560 HydrophobicContact CD1-CH2 4.04Å; F482-L569 HydrophobicContact CE2-CD1 3.66Å; F482-L569 HydrophobicContact CZ-CD1 4.08Å; F482-T572 HydrophobicContact CE2-CG2 4.42Å; F482-V636 HydrophobicContact CD2-CG1 3.79Å; F482-V636 HydrophobicContact CE2-CG1 3.88Å; F482-V636 PolarHBondContact N-O 3.11Å; F482-L637 HydrophobicContact CD2-CD2 4.18Å; F482-L637 HydrophobicContact CG-CD2 4.41Å; F482-R638 PolarHBondContact O-NE 3.14Å; F482-R638 PolarHBondContact O-NH2 3.33Å
483S94.9Very high93Very high38 Ų3847.1 Ų47.127%0.26625%0.248SC..SBendtrans-70.4-33.3176.3700000112.8T469 R638T469-S483 WeakPolarHBondContact CB-OG 3.47Å; T469-S483 WeakPolarHBondContact O-CB 3.34Å; T469-S483 PolarHBondContact O-N 2.96Å; T469-S483 PolarHBondContact O-OG 2.88Å; S483-R638 PolarHBondContact O-NH2 3.15Å; S483-R638 VanDerWaalsContact O-NH2 3.09Å
484E92.6Very high93.2Very high113 Ų11345.2 Ų45.253%0.52824%0.235SC..  trans-102.4150.3-174.3-61.1-52.3132.400113.5T469T469-E484 HydrophobicContact CG2-CB 4.16Å; T469-E484 HydrophobicContact CG2-CG 3.57Å
485W94.5Very high93.3Very high114 Ų11437.4 Ų37.443%0.43221%0.205SC..  trans-120.4118.2176.5-58.9-45.3000111.8L637W485-L637 PolarHBondContact NE1-O 2.79Å; W485-L637 VanDerWaalsContact NE1-O 3.17Å
486G93.5Very high93.5Very high11 Ų1142.1 Ų42.111%0.11321%0.21CC..  trans-104.4148.1170.100000112.6C559 R639G486-C559 CarbonylContact C-O 3.57Å; G486-C559 WeakPolarHBondContact CA-O 3.38Å; G486-C559 WeakPolarHBondContact O-CA 3.32Å; G486-R639 PolarHBondContact O-NH1 3.07Å
487T95.6Very high93.5Very high21 Ų2135.5 Ų35.513%0.12917%0.174CC..  trans-128.6117.9165.4-61.80000108.1C559 R639 N679 L838 L840T487-C559 CarbonylContact C-O 3.57Å; T487-C559 PolarHBondContact N-O 2.86Å; T487-R639 PolarHBondContact OG1-NH1 2.86Å; T487-R639 PolarHBondContact OG1-NH2 2.96Å; T487-N679 PolarHBondContact OG1-ND2 3.08Å; T487-L838 HydrophobicContact CG2-CD1 3.88Å; T487-L840 HydrophobicContact CG2-CD2 4.01Å
488F95.7Very high93.3Very high6 Ų636.3 Ų36.33%0.02618%0.181CC..  trans-86.6137177.5-171.1-97.4000110.9P451 L490 L542 Q557 A558 C559 V694 V847 V851P451-F488 HydrophobicContact CG-CZ 4.44Å; F488-L490 HydrophobicContact CE1-CD2 3.84Å; F488-L490 HydrophobicContact CZ-CD2 4.43Å; F488-L542 HydrophobicContact CD1-CD1 4.29Å; F488-L542 HydrophobicContact CE1-CD1 4.21Å; F488-Q557 WeakPolarHBondContact CB-O 3.36Å; F488-Q557 WeakPolarHBondContact CG-O 3.26Å; F488-A558 PolarHBondContact N-O 3.49Å; F488-C559 PolarHBondContact N-O 2.85Å; F488-V694 HydrophobicContact CD1-CG1 4.22Å; F488-V847 HydrophobicContact CD2-CG1 3.77Å; F488-V847 HydrophobicContact CE2-CG1 3.82Å; F488-V851 HydrophobicContact CE2-CG2 3.71Å; F488-V851 HydrophobicContact CZ-CG2 3.96Å
489A94.7Very high92.9Very high3 Ų338 Ų383%0.02520%0.199CC..  trans-141.7148.5172.600000109.7P695 E697 L840 K843A489-P695 HydrophobicContact CB-CG 4.19Å; A489-E697 HydrophobicContact CB-CG 3.85Å; A489-L840 HydrophobicContact CB-CD1 4.06Å; A489-L840 HydrophobicContact CB-CD2 4.02Å; A489-K843 WeakPolarHBondContact O-CE 3.32Å; A489-K843 PolarHBondContact O-NZ 3.14Å
490L93.6Very high92.3Very high0 Ų039.9 Ų39.90%021%0.211CC..BIsolated β-bridgetrans-72.7129.4178.1-64.8179.2000109.5F488 I494 L509 F540 L542 V694 P695 I696 E697F488-L490 HydrophobicContact CE1-CD2 3.84Å; F488-L490 HydrophobicContact CZ-CD2 4.43Å; L490-I494 HydrophobicContact CB-CD1 3.93Å; L490-I494 HydrophobicContact CD2-CD1 4.44Å; L490-L509 HydrophobicContact CD1-CD2 3.86Å; L490-L509 HydrophobicContact CD2-CD2 3.66Å; L490-L509 HydrophobicContact CG-CD2 4.44Å; L490-F540 HydrophobicContact CD1-CB 4.23Å; L490-F540 HydrophobicContact CD1-CD2 4.4Å; L490-F540 HydrophobicContact CD1-CG 4.33Å; L490-L542 HydrophobicContact CD2-CD2 4.35Å; L490-V694 HydrophobicContact CD1-CG2 4.02Å; L490-V694 HydrophobicContact CD2-CG2 4.33Å; L490-V694 HydrophobicContact CG-CG2 3.77Å; L490-P695 PolarHBondContact N-O 3.4Å; L490-I696 HydrophobicContact CB-CB 4.48Å; L490-I696 HydrophobicContact CB-CG1 3.86Å; L490-I696 HydrophobicContact CD1-CG1 4.26Å; L490-I696 CarbonylContact O-C 3.05Å; L490-I696 WeakPolarHBondContact O-CA 3.49Å; L490-E697 PolarHBondContact O-N 3.19Å
491P92.3Very high91.7Very high10 Ų1040 Ų407%0.06521%0.212CC..  trans-64.3142.4-172.126.9-37.4000112.4S493 I494 E697 V851 L855P491-S493 PolarHBondContact O-N 2.68Å; P491-I494 HydrophobicContact CG-CD1 3.87Å; P491-I494 HydrophobicContact CG-CG1 4.18Å; P491-I494 WeakPolarHBondContact O-CB 3.41Å; P491-I494 PolarHBondContact O-N 2.79Å; P491-E697 WeakPolarHBondContact CA-OE2 3.36Å; P491-V851 HydrophobicContact CB-CG1 4.4Å; P491-V851 HydrophobicContact CG-CG1 3.59Å; P491-L855 HydrophobicContact CB-CD1 4.44Å; P491-L855 HydrophobicContact CG-CD1 3.74Å; P491-L855 HydrophobicContact CG-CD2 4.45Å; P491-L855 HydrophobicContact CG-CG 4.43Å
492Y90.1Very high91.4Very high60 Ų6039.3 Ų39.324%0.23521%0.21CC..G310 helixtrans-55-27.1179.5174.4-112.1000113.1I494 T495 K496 E697 C699Y492-I494 PolarHBondContact O-N 2.8Å; Y492-I494 VanDerWaalsContact O-N 3.1Å; Y492-T495 HydrophobicContact CD2-CG2 4.2Å; Y492-T495 HydrophobicContact CE2-CG2 4.29Å; Y492-T495 WeakPolarHBondContact CE2-OG1 3.49Å; Y492-T495 PolarHBondContact O-N 2.84Å; Y492-T495 PolarHBondContact O-OG1 3.33Å; Y492-T495 VanDerWaalsContact O-OG1 3.1Å; Y492-K496 VanDerWaalsContact CE1-CE 3.44Å; Y492-E697 PolarHBondContact N-OE2 2.84Å; Y492-C699 HydrophobicContact CD1-CB 4.48Å; Y492-C699 HydrophobicContact CD2-CB 4.12Å; Y492-C699 HydrophobicContact CE1-CB 3.97Å; Y492-C699 VanDerWaalsContact CE1-SG 3.53Å; Y492-C699 HydrophobicContact CE2-CB 3.59Å
493S91Very high90.9Very high33 Ų3344.4 Ų44.423%0.23123%0.234CC..G310 helixtrans-53.5-28.4174.957.60000114P491 T495 K496 L855P491-S493 PolarHBondContact O-N 2.68Å; S493-T495 PolarHBondContact O-N 2.85Å; S493-K496 WeakPolarHBondContact O-CB 3.41Å; S493-K496 PolarHBondContact O-N 2.85Å; S493-L855 VanDerWaalsContact OG-CD1 3.23Å; S493-L855 WeakPolarHBondContact OG-CD1 3.49Å
494I92.1Very high90.5Very high0 Ų043.2 Ų43.20%023%0.225CC..G310 helixtrans-61.4-29.9175.9-68163.4000111.9L490 P491 Y492 K496 F497 K502 L505 W854 L855L490-I494 HydrophobicContact CB-CD1 3.93Å; L490-I494 HydrophobicContact CD2-CD1 4.44Å; P491-I494 HydrophobicContact CG-CD1 3.87Å; P491-I494 HydrophobicContact CG-CG1 4.18Å; P491-I494 WeakPolarHBondContact O-CB 3.41Å; P491-I494 PolarHBondContact O-N 2.79Å; Y492-I494 PolarHBondContact O-N 2.8Å; Y492-I494 VanDerWaalsContact O-N 3.1Å; I494-K496 PolarHBondContact O-N 2.88Å; I494-F497 HydrophobicContact CG1-CE2 4.5Å; I494-K502 HydrophobicContact CG2-CG 4.34Å; I494-L505 HydrophobicContact CD1-CD2 4.31Å; I494-L505 HydrophobicContact CG1-CD1 4.13Å; I494-L505 HydrophobicContact CG1-CD2 4.41Å; I494-L505 HydrophobicContact CG2-CD1 4.44Å; I494-L505 HydrophobicContact CG2-CD2 4.02Å; I494-W854 HydrophobicContact CD1-CH2 4.19Å; I494-W854 HydrophobicContact CD1-CZ3 4.08Å; I494-L855 HydrophobicContact CD1-CD2 4.42Å; I494-L855 HydrophobicContact CG1-CD2 3.8Å
495T88.8Confident90.3Very high43 Ų4337.9 Ų37.926%0.26420%0.199SC..G310 helixtrans-74.5-11.6176.7790000113.4Y492 S493 I696Y492-T495 HydrophobicContact CD2-CG2 4.2Å; Y492-T495 HydrophobicContact CE2-CG2 4.29Å; Y492-T495 WeakPolarHBondContact CE2-OG1 3.49Å; Y492-T495 PolarHBondContact O-N 2.84Å; Y492-T495 PolarHBondContact O-OG1 3.33Å; Y492-T495 VanDerWaalsContact O-OG1 3.1Å; S493-T495 PolarHBondContact O-N 2.85Å; T495-I696 HydrophobicContact CG2-CD1 4.47Å; T495-I696 HydrophobicContact CG2-CG2 3.82Å
496K90.7Very high90.2Very high154 Ų15433.6 Ų33.667%0.6719%0.185SC*.G310 helixtrans-91.2-11.4179.6-58.1-173.9179.2-177.10113.5Y492 S493 I494Y492-K496 VanDerWaalsContact CE1-CE 3.44Å; S493-K496 WeakPolarHBondContact O-CB 3.41Å; S493-K496 PolarHBondContact O-N 2.85Å; I494-K496 PolarHBondContact O-N 2.88Å
497F88.8Confident89.9Confident22 Ų2234.2 Ų34.210%0.09619%0.187CC..SBendtrans-68.5148176.8-73.8-56.2000112I494 A499 V501 K502 L505 L855 R859 A862I494-F497 HydrophobicContact CG1-CE2 4.5Å; F497-A499 PolarHBondContact O-N 3.04Å; F497-V501 HydrophobicContact CB-CB 4.37Å; F497-V501 HydrophobicContact CB-CG1 4.34Å; F497-V501 HydrophobicContact CD1-CG1 4.21Å; F497-V501 HydrophobicContact CG-CG1 4.24Å; F497-K502 HydrophobicContact CB-CB 4.23Å; F497-L505 HydrophobicContact CD2-CD1 3.92Å; F497-L505 HydrophobicContact CE2-CD1 3.65Å; F497-L855 HydrophobicContact CE2-CD2 3.77Å; F497-L855 HydrophobicContact CZ-CD2 4.12Å; F497-R859 HydrophobicContact CE1-CB 4.42Å; F497-R859 HydrophobicContact CE1-CG 3.75Å; F497-R859 HydrophobicContact CZ-CG 3.92Å; F497-A862 HydrophobicContact CD1-CB 3.95Å; F497-A862 HydrophobicContact CE1-CB 4.31Å
498P88.2Confident89.5Confident40 Ų4033.4 Ų33.426%0.2618%0.182SC..  trans-50.8137.9167.2-25.334.4000110.7P500 V501 K502 A862P498-P500 VanDerWaalsContact C-N 3.27Å; P498-P500 VanDerWaalsContact O-N 3.07Å; P498-V501 HydrophobicContact CB-CG2 4.45Å; P498-V501 WeakPolarHBondContact O-CA 2.87Å; P498-V501 PolarHBondContact O-N 2.92Å; P498-K502 PolarHBondContact O-N 3.14Å; P498-A862 HydrophobicContact CG-CB 4.3Å
499A87.4Confident89.3Confident76 Ų7633.2 Ų33.263%0.62818%0.182SC*.Hα-helixtrans-47.2-40.6-176.100000114.7F497 V501 K502 Q503F497-A499 PolarHBondContact O-N 3.04Å; A499-V501 PolarHBondContact O-N 3.15Å; A499-K502 PolarHBondContact O-N 3.39Å; A499-Q503 WeakPolarHBondContact O-CB 3.4Å; A499-Q503 PolarHBondContact O-N 3.23Å
500P83.9Confident89.3Confident39 Ų3933.2 Ų33.225%0.25318%0.181SC..Hα-helixtrans-66.7-35.8178.1-16.730.5000113.4L432 P498 L504L432-P500 HydrophobicContact CD1-CB 3.49Å; L432-P500 VanDerWaalsContact CD1-CB 3.49Å; L432-P500 HydrophobicContact CD1-CG 4.22Å; L432-P500 HydrophobicContact CD2-CB 3.36Å; L432-P500 HydrophobicContact CG-CB 4.03Å; P498-P500 VanDerWaalsContact C-N 3.27Å; P498-P500 VanDerWaalsContact O-N 3.07Å; P500-L504 PolarHBondContact O-N 2.68Å; P500-L504 VanDerWaalsContact O-N 3.12Å
501V84.1Confident89.3Confident2 Ų234.3 Ų34.31%0.01219%0.187CC..Hα-helixtrans-73.4-40.2175.91800000110.7F497 P498 A499 Q503 L504 L505 L861F497-V501 HydrophobicContact CB-CB 4.37Å; F497-V501 HydrophobicContact CB-CG1 4.34Å; F497-V501 HydrophobicContact CD1-CG1 4.21Å; F497-V501 HydrophobicContact CG-CG1 4.24Å; P498-V501 HydrophobicContact CB-CG2 4.45Å; P498-V501 WeakPolarHBondContact O-CA 2.87Å; P498-V501 PolarHBondContact O-N 2.92Å; A499-V501 PolarHBondContact O-N 3.15Å; V501-Q503 VanDerWaalsContact C-N 3.34Å; V501-Q503 PolarHBondContact O-N 2.95Å; V501-L504 PolarHBondContact O-N 2.83Å; V501-L505 WeakPolarHBondContact O-CB 3.31Å; V501-L505 PolarHBondContact O-N 3.36Å; V501-L861 HydrophobicContact CG1-CB 4.44Å; V501-L861 HydrophobicContact CG2-CB 4.4Å
502K90.3Very high89.3Confident36 Ų3638.5 Ų38.516%0.15721%0.207CC..Hα-helixtrans-61.1-41.6174.2-176.8175.9176.5178.30111.6I494 F497 P498 A499 L506I494-K502 HydrophobicContact CG2-CG 4.34Å; F497-K502 HydrophobicContact CB-CB 4.23Å; P498-K502 PolarHBondContact O-N 3.14Å; A499-K502 PolarHBondContact O-N 3.39Å; K502-L506 HydrophobicContact CG-CD1 4.07Å; K502-L506 WeakPolarHBondContact O-CB 3.44Å; K502-L506 VanDerWaalsContact O-CG 3.31Å; K502-L506 WeakPolarHBondContact O-CG 3.4Å; K502-L506 PolarHBondContact O-N 2.91Å
503Q87.1Confident89.4Confident112 Ų11239.9 Ų39.952%0.52322%0.216SC..Hα-helixtrans-65.3-44.4177-176.1175.6-0.900111.8A499 V501 L506 S507A499-Q503 WeakPolarHBondContact O-CB 3.4Å; A499-Q503 PolarHBondContact O-N 3.23Å; V501-Q503 VanDerWaalsContact C-N 3.34Å; V501-Q503 PolarHBondContact O-N 2.95Å; Q503-L506 PolarHBondContact O-N 3.14Å; Q503-S507 WeakPolarHBondContact O-CB 3.48Å; Q503-S507 PolarHBondContact O-N 3.45Å; Q503-S507 PolarHBondContact O-OG 3.47Å
504L84.7Confident89.5Confident13 Ų1338.4 Ų38.47%0.06821%0.205CC..Hα-helixtrans-58.7-52.8175-178.767.7000111.2I431 T435 P500 V501 L506 S507 E508 L861I431-L504 HydrophobicContact CG2-CD1 4.39Å; I431-L504 HydrophobicContact CG2-CD2 3.68Å; T435-L504 HydrophobicContact CG2-CD1 4.04Å; P500-L504 PolarHBondContact O-N 2.68Å; P500-L504 VanDerWaalsContact O-N 3.12Å; V501-L504 PolarHBondContact O-N 2.83Å; L504-L506 VanDerWaalsContact C-N 3.34Å; L504-L506 PolarHBondContact O-N 3.13Å; L504-S507 PolarHBondContact O-N 2.82Å; L504-S507 PolarHBondContact O-OG 2.82Å; L504-E508 HydrophobicContact CD1-CG 4.37Å; L504-E508 WeakPolarHBondContact CD1-OE1 3.27Å; L504-E508 WeakPolarHBondContact CG-OE1 3.34Å; L504-E508 WeakPolarHBondContact O-CG 3.36Å; L504-E508 PolarHBondContact O-N 3.28Å; L504-L861 HydrophobicContact CD2-CD1 3.9Å
505L89.6Confident89.7Confident0 Ų038.9 Ų38.90%021%0.208CC..Hα-helixtrans-53.3-49178177.7162.8000111.7I494 F497 V501 S507 E508 L509 W854 L855 Y858I494-L505 HydrophobicContact CD1-CD2 4.31Å; I494-L505 HydrophobicContact CG1-CD1 4.13Å; I494-L505 HydrophobicContact CG1-CD2 4.41Å; I494-L505 HydrophobicContact CG2-CD1 4.44Å; I494-L505 HydrophobicContact CG2-CD2 4.02Å; F497-L505 HydrophobicContact CD2-CD1 3.92Å; F497-L505 HydrophobicContact CE2-CD1 3.65Å; V501-L505 WeakPolarHBondContact O-CB 3.31Å; V501-L505 PolarHBondContact O-N 3.36Å; L505-S507 VanDerWaalsContact C-N 3.32Å; L505-S507 PolarHBondContact O-N 3.42Å; L505-E508 PolarHBondContact O-N 3.35Å; L505-L509 HydrophobicContact CD2-CD2 4.34Å; L505-L509 WeakPolarHBondContact O-CB 3.33Å; L505-L509 PolarHBondContact O-N 2.8Å; L505-W854 HydrophobicContact CD1-CH2 4.04Å; L505-W854 HydrophobicContact CD2-CH2 3.74Å; L505-W854 HydrophobicContact CD2-CZ2 4.2Å; L505-W854 HydrophobicContact CG-CH2 3.88Å; L505-W854 HydrophobicContact CG-CZ2 4.06Å; L505-L855 HydrophobicContact CD1-CD2 4.33Å; L505-Y858 HydrophobicContact CB-CD1 3.78Å; L505-Y858 HydrophobicContact CB-CE1 3.66Å; L505-Y858 HydrophobicContact CB-CE2 4.48Å; L505-Y858 HydrophobicContact CB-CG 4.24Å; L505-Y858 HydrophobicContact CD1-CD1 4.22Å; L505-Y858 HydrophobicContact CD1-CD2 3.74Å; L505-Y858 HydrophobicContact CD1-CE2 4.06Å; L505-Y858 HydrophobicContact CD1-CG 3.8Å; L505-Y858 HydrophobicContact CG-CD1 4.22Å; L505-Y858 HydrophobicContact CG-CD2 4.14Å; L505-Y858 HydrophobicContact CG-CE1 4.06Å; L505-Y858 HydrophobicContact CG-CE2 3.97Å; L505-Y858 HydrophobicContact CG-CG 4.24Å
506L92.3Very high90Very high25 Ų2539.1 Ų39.113%0.13121%0.211CC..Hα-helixtrans-67.1-31.8178.7-68.5173.2000112.3K502 Q503 L504 C510 F540K502-L506 HydrophobicContact CG-CD1 4.07Å; K502-L506 WeakPolarHBondContact O-CB 3.44Å; K502-L506 VanDerWaalsContact O-CG 3.31Å; K502-L506 WeakPolarHBondContact O-CG 3.4Å; K502-L506 PolarHBondContact O-N 2.91Å; Q503-L506 PolarHBondContact O-N 3.14Å; L504-L506 VanDerWaalsContact C-N 3.34Å; L504-L506 PolarHBondContact O-N 3.13Å; L506-C510 VanDerWaalsContact O-CB 3.26Å; L506-C510 WeakPolarHBondContact O-CB 3.17Å; L506-C510 PolarHBondContact O-N 3.25Å; L506-F540 HydrophobicContact CD1-CE1 4.14Å; L506-F540 HydrophobicContact CD2-CD1 4.09Å; L506-F540 HydrophobicContact CD2-CE1 4.1Å
507S86.2Confident90.1Very high23 Ų2332.1 Ų32.116%0.16118%0.181CC..Hα-helixtrans-72.8-30.4175.774.50000113.8K448 Q503 L504 L505K448-S507 PolarHBondContact NZ-O 2.93Å; Q503-S507 WeakPolarHBondContact O-CB 3.48Å; Q503-S507 PolarHBondContact O-N 3.45Å; Q503-S507 PolarHBondContact O-OG 3.47Å; L504-S507 PolarHBondContact O-N 2.82Å; L504-S507 PolarHBondContact O-OG 2.82Å; L505-S507 VanDerWaalsContact C-N 3.32Å; L505-S507 PolarHBondContact O-N 3.42Å
508E87.9Confident90.4Very high5 Ų531.1 Ų31.12%0.02318%0.176CC..Hα-helixtrans-79.8-29.1174.7-68.9178.3-176.300111.7R446 K448 W449 M450 L504 L505 Y858R446-E508 WeakPolarHBondContact CD-OE1 3.47Å; R446-E508 IonicContact CZ-OE1 2.7Å; R446-E508 IonicContact NE-OE1 3.62Å; R446-E508 IonicContact NH1-OE1 2.76Å; R446-E508 PolarHBondContact NH1-OE1 3.1Å; R446-E508 IonicContact NH1-OE2 3.63Å; R446-E508 PolarHBondContact NH1-OE2 3.44Å; K448-E508 CarbonylContact C-O 3.45Å; K448-E508 VanDerWaalsContact CA-O 3.27Å; K448-E508 WeakPolarHBondContact CA-O 3.39Å; K448-E508 VanDerWaalsContact CD-O 3.3Å; K448-E508 WeakPolarHBondContact CD-O 3.37Å; W449-E508 HydrophobicContact CB-CB 4.27Å; W449-E508 PolarHBondContact N-O 2.72Å; M450-E508 VanDerWaalsContact CE-O 3.31Å; M450-E508 WeakPolarHBondContact CE-O 3.22Å; L504-E508 HydrophobicContact CD1-CG 4.37Å; L504-E508 WeakPolarHBondContact CD1-OE1 3.27Å; L504-E508 WeakPolarHBondContact CG-OE1 3.34Å; L504-E508 WeakPolarHBondContact O-CG 3.36Å; L504-E508 PolarHBondContact O-N 3.28Å; L505-E508 PolarHBondContact O-N 3.35Å; E508-Y858 WeakPolarHBondContact OE2-CE1 3.21Å; E508-Y858 PolarHBondContact OE2-OH 3.19Å
509L91.7Very high90.7Very high2 Ų231 Ų311%0.0117%0.172CC..Hα-helixtrans-90.6-46.7-177.7-179.572.1000114.5M450 L490 L505 L542 W543 W854M450-L509 HydrophobicContact CE-CD1 4.29Å; M450-L509 VanDerWaalsContact CE-O 3.28Å; M450-L509 WeakPolarHBondContact CE-O 3.34Å; M450-L509 HydrophobicContact SD-CD1 3.88Å; L490-L509 HydrophobicContact CD1-CD2 3.86Å; L490-L509 HydrophobicContact CD2-CD2 3.66Å; L490-L509 HydrophobicContact CG-CD2 4.44Å; L505-L509 HydrophobicContact CD2-CD2 4.34Å; L505-L509 WeakPolarHBondContact O-CB 3.33Å; L505-L509 PolarHBondContact O-N 2.8Å; L509-L542 HydrophobicContact CD1-CD2 4.16Å; L509-L542 HydrophobicContact CD2-CD2 4.02Å; L509-L542 HydrophobicContact CG-CD2 3.88Å; L509-W543 WeakPolarHBondContact O-CB 3.37Å; L509-W543 PolarHBondContact O-N 3.08Å; L509-W854 HydrophobicContact CB-CZ2 4.25Å; L509-W854 HydrophobicContact CD1-CH2 4.26Å; L509-W854 HydrophobicContact CD1-CZ2 3.8Å; L509-W854 HydrophobicContact CD2-CH2 3.98Å; L509-W854 HydrophobicContact CD2-CZ2 4.19Å; L509-W854 HydrophobicContact CG-CZ2 4.3Å
510C94.4Very high91Very high2 Ų232.1 Ų32.11%0.01417%0.167CC..BIsolated β-bridgetrans-91.5150.3-169.3-59.10000111.8K448 L506 M512 A541K448-C510 PolarHBondContact NZ-O 3.07Å; L506-C510 VanDerWaalsContact O-CB 3.26Å; L506-C510 WeakPolarHBondContact O-CB 3.17Å; L506-C510 PolarHBondContact O-N 3.25Å; C510-M512 HydrophobicContact CB-SD 4.17Å; C510-M512 PolarHBondContact O-N 3.35Å; C510-M512 VanDerWaalsContact O-N 3.16Å; C510-A541 CarbonylContact C-O 3.57Å; C510-A541 WeakPolarHBondContact CA-O 3.43Å; C510-A541 VanDerWaalsContact CB-O 3.27Å; C510-A541 WeakPolarHBondContact CB-O 3.32Å
511D93.8Very high91.2Very high24 Ų2434.6 Ų34.613%0.12818%0.176CC..  trans-7798.8160.8-169.2-32.4000108.7Q513 A514 Q515 A541 W543 T691D511-Q513 PolarHBondContact O-N 3.19Å; D511-Q513 WeakPolarHBondContact OD1-CA 3.45Å; D511-Q513 WeakPolarHBondContact OD1-CB 3.38Å; D511-Q513 PolarHBondContact OD1-N 2.92Å; D511-A514 HydrophobicContact CB-CB 3.93Å; D511-A514 PolarHBondContact OD1-N 3.11Å; D511-Q515 VanDerWaalsContact O-CB 3.24Å; D511-Q515 WeakPolarHBondContact O-CB 3.49Å; D511-Q515 PolarHBondContact O-N 2.95Å; D511-A541 PolarHBondContact N-O 3.31Å; D511-W543 HydrophobicContact CB-CB 4.3Å; D511-T691 HydrophobicContact CB-CG2 4.37Å
512M92.6Very high91.6Very high98 Ų9836.6 Ų36.648%0.48319%0.193SC..Hα-helixtrans-67.3-24.1-179.7-62.7-58.1-55.700113C510 S516C510-M512 HydrophobicContact CB-SD 4.17Å; C510-M512 PolarHBondContact O-N 3.35Å; C510-M512 VanDerWaalsContact O-N 3.16Å; M512-S516 PolarHBondContact O-N 3.45Å
513Q91.5Very high91.7Very high89 Ų8939.2 Ų39.242%0.41620%0.204SC..Hα-helixtrans-77.1-49.7177.1179.860.749.900109.8D511 Q515 S516 E517D511-Q513 PolarHBondContact O-N 3.19Å; D511-Q513 WeakPolarHBondContact OD1-CA 3.45Å; D511-Q513 WeakPolarHBondContact OD1-CB 3.38Å; D511-Q513 PolarHBondContact OD1-N 2.92Å; Q513-Q515 VanDerWaalsContact C-N 3.32Å; Q513-Q515 PolarHBondContact O-N 3.39Å; Q513-S516 PolarHBondContact O-N 2.84Å; Q513-E517 WeakPolarHBondContact O-CB 3.27Å; Q513-E517 PolarHBondContact O-N 2.99Å
514A93.7Very high92.1Very high2 Ų234.4 Ų34.42%0.01718%0.183CC..Hα-helixtrans-62.6-39.3175.300000111.7D511 S516 E517 L518 T686 T691D511-A514 HydrophobicContact CB-CB 3.93Å; D511-A514 PolarHBondContact OD1-N 3.11Å; A514-S516 PolarHBondContact O-N 3.13Å; A514-E517 PolarHBondContact O-N 2.78Å; A514-L518 WeakPolarHBondContact O-CB 3.39Å; A514-L518 VanDerWaalsContact O-CG 3.26Å; A514-L518 WeakPolarHBondContact O-CG 3.34Å; A514-L518 PolarHBondContact O-N 3.32Å; A514-T686 HydrophobicContact CB-CG2 4.36Å; A514-T691 HydrophobicContact CB-CG2 3.99Å
515Q95.5Very high92.6Very high10 Ų1033.8 Ų33.85%0.04718%0.18CC..Hα-helixtrans-56.6-50.5174.5-173.479.541.300111.7D511 Q513 L518 E519 N526 L539 A541D511-Q515 VanDerWaalsContact O-CB 3.24Å; D511-Q515 WeakPolarHBondContact O-CB 3.49Å; D511-Q515 PolarHBondContact O-N 2.95Å; Q513-Q515 VanDerWaalsContact C-N 3.32Å; Q513-Q515 PolarHBondContact O-N 3.39Å; Q515-L518 PolarHBondContact O-N 3.04Å; Q515-E519 PolarHBondContact NE2-OE2 3.14Å; Q515-E519 WeakPolarHBondContact O-CB 3.24Å; Q515-E519 PolarHBondContact O-N 3.37Å; Q515-N526 PolarHBondContact NE2-ND2 3.46Å; Q515-L539 PolarHBondContact NE2-O 3.29Å; Q515-A541 HydrophobicContact CB-CB 4.45Å
516S94.5Very high92.8Very high47 Ų4734.1 Ų34.133%0.32918%0.182SC..Hα-helixtrans-70.3-37.5-178.2-171.50000112.1M512 Q513 A514 L518 D520 E521M512-S516 PolarHBondContact O-N 3.45Å; Q513-S516 PolarHBondContact O-N 2.84Å; A514-S516 PolarHBondContact O-N 3.13Å; S516-L518 PolarHBondContact O-N 3.47Å; S516-D520 WeakPolarHBondContact CA-OD2 3.38Å; S516-D520 WeakPolarHBondContact CB-OD2 3.31Å; S516-D520 WeakPolarHBondContact O-CA 3.03Å; S516-D520 VanDerWaalsContact O-CB 3.26Å; S516-D520 WeakPolarHBondContact O-CB 3.43Å; S516-D520 PolarHBondContact O-N 2.84Å; S516-D520 PolarHBondContact OG-OD2 2.81Å; S516-E521 PolarHBondContact O-N 3.18Å
517E93.8Very high92.8Very high8 Ų836.4 Ų36.44%0.03719%0.188CC..Iπ-helixtrans-64.9-38.2175.6-176160.6-159.100112.3Q513 A514 A522 V646 T686 R687Q513-E517 WeakPolarHBondContact O-CB 3.27Å; Q513-E517 PolarHBondContact O-N 2.99Å; A514-E517 PolarHBondContact O-N 2.78Å; E517-A522 VanDerWaalsContact O-CB 3.25Å; E517-A522 WeakPolarHBondContact O-CB 3.17Å; E517-A522 PolarHBondContact O-N 2.99Å; E517-V646 HydrophobicContact CG-CG1 3.96Å; E517-T686 HydrophobicContact CB-CG2 4.08Å; E517-T686 HydrophobicContact CG-CG2 3.94Å; E517-R687 IonicContact OE1-CZ 2.92Å; E517-R687 IonicContact OE1-NE 2.78Å; E517-R687 PolarHBondContact OE1-NE 3.34Å; E517-R687 IonicContact OE1-NH2 3.15Å; E517-R687 PolarHBondContact OE1-NH2 2.93Å; E517-R687 IonicContact OE2-CZ 2.68Å; E517-R687 IonicContact OE2-NE 3.13Å; E517-R687 PolarHBondContact OE2-NE 3.35Å; E517-R687 IonicContact OE2-NH2 3.23Å
518L95.6Very high92.9Very high0 Ų037.7 Ų37.70%019%0.19CC..Iπ-helixtrans-77.8-37177.3-66.9171.1000113.7A514 Q515 S516 K523 A524 I525 T686 L693A514-L518 WeakPolarHBondContact O-CB 3.39Å; A514-L518 VanDerWaalsContact O-CG 3.26Å; A514-L518 WeakPolarHBondContact O-CG 3.34Å; A514-L518 PolarHBondContact O-N 3.32Å; Q515-L518 PolarHBondContact O-N 3.04Å; S516-L518 PolarHBondContact O-N 3.47Å; L518-K523 CarbonylContact O-C 3.52Å; L518-K523 WeakPolarHBondContact O-CA 3.37Å; L518-K523 PolarHBondContact O-N 3.31Å; L518-A524 HydrophobicContact CD2-CB 4.3Å; L518-A524 PolarHBondContact O-N 2.93Å; L518-I525 HydrophobicContact CB-CD1 3.66Å; L518-I525 HydrophobicContact CB-CG1 3.75Å; L518-I525 HydrophobicContact CB-CG2 4.31Å; L518-I525 HydrophobicContact CD1-CD1 4.31Å; L518-I525 PolarHBondContact O-N 3.37Å; L518-T686 HydrophobicContact CD1-CG2 4.17Å; L518-T686 HydrophobicContact CD2-CG2 3.69Å; L518-T686 HydrophobicContact CG-CG2 3.58Å; L518-L693 HydrophobicContact CD1-CD2 4.34Å
519E94.8Very high92.5Very high38 Ų3839.7 Ų39.718%0.17820%0.199CC..Iπ-helixtrans-89.4-44.4-174.8-172.5161.2170.200112.6Q515 I525 N526 R538Q515-E519 PolarHBondContact NE2-OE2 3.14Å; Q515-E519 WeakPolarHBondContact O-CB 3.24Å; Q515-E519 PolarHBondContact O-N 3.37Å; E519-I525 HydrophobicContact CB-CD1 4.45Å; E519-I525 HydrophobicContact CB-CG1 4.04Å; E519-N526 HydrophobicContact CG-CB 3.9Å; E519-N526 PolarHBondContact OE2-ND2 3.03Å; E519-R538 IonicContact OE1-CZ 3.57Å; E519-R538 IonicContact OE1-NE 3.31Å; E519-R538 PolarHBondContact OE1-NE 2.92Å; E519-R538 IonicContact OE1-NH2 2.73Å; E519-R538 PolarHBondContact OE1-NH2 3.03Å; E519-R538 IonicContact OE2-CZ 2.79Å; E519-R538 IonicContact OE2-NE 3.07Å; E519-R538 IonicContact OE2-NH2 3.45Å; E519-R538 PolarHBondContact OE2-NH2 3.28Å
520D92.4Very high91.5Very high99 Ų9944.1 Ų44.153%0.52922%0.221SC..Iπ-helixtrans-95.7-51.9-173-54.7-56.8000112.9S516 K523S516-D520 WeakPolarHBondContact CA-OD2 3.38Å; S516-D520 WeakPolarHBondContact CB-OD2 3.31Å; S516-D520 WeakPolarHBondContact O-CA 3.03Å; S516-D520 VanDerWaalsContact O-CB 3.26Å; S516-D520 WeakPolarHBondContact O-CB 3.43Å; S516-D520 PolarHBondContact O-N 2.84Å; S516-D520 PolarHBondContact OG-OD2 2.81Å; D520-K523 WeakPolarHBondContact O-CE 2.96Å; D520-K523 WeakPolarHBondContact O-CG 3.41Å
521E89.4Confident90.2Very high92 Ų9249.3 Ų49.343%0.4326%0.255SS..Iπ-helixtrans-75.7-61.8-176.4-70.6-166.9-143.600112.2S516 K650 R687S516-E521 PolarHBondContact O-N 3.18Å; E521-K650 IonicContact OE2-NZ 3.58Å; E521-K650 PolarHBondContact OE2-NZ 3.4Å; E521-R687 IonicContact OE1-NH2 2.95Å
522A90.7Very high88.6Confident44 Ų4452.3 Ų52.336%0.36429%0.291SS..SBendtrans-80.5-26.3-175.500000112.7E517 A524 V646E517-A522 VanDerWaalsContact O-CB 3.25Å; E517-A522 WeakPolarHBondContact O-CB 3.17Å; E517-A522 PolarHBondContact O-N 2.99Å; A522-A524 HydrophobicContact CB-CB 4.29Å; A522-A524 PolarHBondContact O-N 2.78Å; A522-V646 HydrophobicContact CB-CG1 4.15Å
523K93.7Very high87.1Confident91 Ų9153.6 Ų53.640%0.39630%0.297SS..  trans51.941.3-173.8-55.8178.3-178174.60111.5L518 D520L518-K523 CarbonylContact O-C 3.52Å; L518-K523 WeakPolarHBondContact O-CA 3.37Å; L518-K523 PolarHBondContact O-N 3.31Å; D520-K523 WeakPolarHBondContact O-CE 2.96Å; D520-K523 WeakPolarHBondContact O-CG 3.41Å
524A94.6Very high85.5Confident10 Ų1058 Ų588%0.08331%0.314CS..  trans-82.6-38.617900000111.3L518 A522 W527 G645L518-A524 HydrophobicContact CD2-CB 4.3Å; L518-A524 PolarHBondContact O-N 2.93Å; A522-A524 HydrophobicContact CB-CB 4.29Å; A522-A524 PolarHBondContact O-N 2.78Å; A524-W527 PolarHBondContact O-NE1 2.74Å; A524-G645 WeakPolarHBondContact CB-O 3.5Å
525I95.8Very high83.8Confident0 Ų062 Ų620%033%0.333CS..SBendtrans-112.5162.5178.270.9178.5000111.4L518 E519 W527 W528 Y644 L693L518-I525 HydrophobicContact CB-CD1 3.66Å; L518-I525 HydrophobicContact CB-CG1 3.75Å; L518-I525 HydrophobicContact CB-CG2 4.31Å; L518-I525 HydrophobicContact CD1-CD1 4.31Å; L518-I525 PolarHBondContact O-N 3.37Å; E519-I525 HydrophobicContact CB-CD1 4.45Å; E519-I525 HydrophobicContact CB-CG1 4.04Å; I525-W527 PolarHBondContact O-N 2.81Å; I525-W528 HydrophobicContact CB-CH2 4.35Å; I525-Y644 HydrophobicContact CG2-CD2 4.16Å; I525-Y644 HydrophobicContact CG2-CG 3.95Å; I525-L693 HydrophobicContact CD1-CD2 3.91Å; I525-L693 HydrophobicContact CG2-CD1 3.66Å; I525-L693 HydrophobicContact CG2-CD2 4.45Å
526N94.4Very high82.2Confident7 Ų763.2 Ų63.24%0.03734%0.342CS..SBendtrans57.21.2167.9-62.9-26.7000116.7Q515 E519 W528 F529 R538 L539Q515-N526 PolarHBondContact NE2-ND2 3.46Å; E519-N526 HydrophobicContact CG-CB 3.9Å; E519-N526 PolarHBondContact OE2-ND2 3.03Å; N526-W528 VanDerWaalsContact N-CZ3 3.26Å; N526-W528 PolarHBondContact O-N 3.15Å; N526-W528 VanDerWaalsContact O-N 3.15Å; N526-F529 HydrophobicContact CB-CB 4.43Å; N526-F529 WeakPolarHBondContact O-CB 3.36Å; N526-F529 PolarHBondContact O-N 2.89Å; N526-R538 HydrophobicContact CB-CG 4.49Å; N526-R538 WeakPolarHBondContact ND2-CG 3.48Å; N526-L539 PolarHBondContact ND2-O 2.96Å; N526-L539 PolarHBondContact OD1-N 2.94Å
527W92.4Very high81.4Confident73 Ų7362 Ų6228%0.27733%0.334SS..THydrogen-bonded Turntrans-65.6-16.8175.759.9-97.1000113.5A524 I525 P794 V796 D797 R798A524-W527 PolarHBondContact O-NE1 2.74Å; I525-W527 PolarHBondContact O-N 2.81Å; W527-P794 HydrophobicContact CH2-CB 4.24Å; W527-P794 HydrophobicContact CH2-CG 4.36Å; W527-P794 HydrophobicContact CZ2-CB 3.89Å; W527-P794 HydrophobicContact CZ2-CG 4.1Å; W527-V796 HydrophobicContact CH2-CG2 4.26Å; W527-V796 HydrophobicContact CZ2-CG2 4.49Å; W527-D797 VanDerWaalsContact CZ2-C 3.5Å; W527-D797 WeakPolarHBondContact CZ2-O 2.99Å; W527-R798 HydrophobicContact CB-CG 4.39Å; W527-R798 HydrophobicContact CD2-CB 3.91Å; W527-R798 HydrophobicContact CD2-CG 4.11Å; W527-R798 HydrophobicContact CE3-CB 4.37Å; W527-R798 HydrophobicContact CE3-CG 4.23Å; W527-R798 HydrophobicContact CG-CB 4.05Å; W527-R798 HydrophobicContact CG-CG 4.19Å
528W88.6Confident81.3Confident50 Ų5064.9 Ų64.919%0.18934%0.344CS..THydrogen-bonded Turntrans-88.3-7171.762.693.1000113.4I525 N526 S537 L539 Y644 P794I525-W528 HydrophobicContact CB-CH2 4.35Å; N526-W528 VanDerWaalsContact N-CZ3 3.26Å; N526-W528 PolarHBondContact O-N 3.15Å; N526-W528 VanDerWaalsContact O-N 3.15Å; W528-S537 PolarHBondContact NE1-O 2.75Å; W528-L539 HydrophobicContact CH2-CD1 4.21Å; W528-L539 HydrophobicContact CZ2-CD1 3.99Å; W528-L539 HydrophobicContact CZ2-CG 4.46Å; W528-Y644 HydrophobicContact CH2-CE1 4.48Å; W528-Y644 HydrophobicContact CH2-CE2 4.47Å; W528-P794 HydrophobicContact CB-CG 4.22Å; W528-P794 HydrophobicContact CD2-CG 3.48Å; W528-P794 VanDerWaalsContact CD2-CG 3.48Å; W528-P794 VanDerWaalsContact CE2-CD 3.5Å; W528-P794 HydrophobicContact CE3-CG 3.56Å; W528-P794 HydrophobicContact CG-CG 3.8Å; W528-P794 HydrophobicContact CH2-CG 4.36Å; W528-P794 HydrophobicContact CZ2-CG 4.35Å; W528-P794 HydrophobicContact CZ3-CG 3.99Å
529F79.6Confident81.3Confident47 Ų4764.9 Ų64.921%0.20634%0.344CS..  trans-73.3129178.8179.5-107.7000110.2N526 P531 R538N526-F529 HydrophobicContact CB-CB 4.43Å; N526-F529 WeakPolarHBondContact O-CB 3.36Å; N526-F529 PolarHBondContact O-N 2.89Å; F529-P531 WeakPolarHBondContact O-CD 3.48Å; F529-R538 HydrophobicContact CD2-CB 4.07Å; F529-R538 HydrophobicContact CE2-CB 4.26Å; F529-R538 HydrophobicContact CG-CB 4.49Å
530I70.6Confident81.4Confident95 Ų9563.5 Ų63.549%0.48734%0.338SS..  trans-99.7111.3175.8-59.2176.9000108.2G532 Q533I530-G532 PolarHBondContact O-N 2.88Å; I530-Q533 HydrophobicContact CB-CB 4.45Å; I530-Q533 HydrophobicContact CB-CG 4.18Å; I530-Q533 HydrophobicContact CG2-CG 4.02Å; I530-Q533 PolarHBondContact O-N 2.79Å; I530-Q533 VanDerWaalsContact O-N 3.14Å
531P67.1Low81.6Confident111 Ų11158.8 Ų58.872%0.72131%0.312SS*.THydrogen-bonded Turntrans-54.7134.2174.9-25.535.2000111.5F529F529-P531 WeakPolarHBondContact O-CD 3.48Å
532G59.7Low82Confident87 Ų8754.6 Ų54.690%0.89729%0.293SS*.THydrogen-bonded Turntrans91.3-17-177.400000115.1I530I530-G532 PolarHBondContact O-N 2.88Å
533Q60.8Low82.2Confident126 Ų12652.9 Ų52.959%0.58928%0.277SS*.SBendtrans-80.4162.4165.9-66.3-165-9.700111.4I530 Q535I530-Q533 HydrophobicContact CB-CB 4.45Å; I530-Q533 HydrophobicContact CB-CG 4.18Å; I530-Q533 HydrophobicContact CG2-CG 4.02Å; I530-Q533 PolarHBondContact O-N 2.79Å; I530-Q533 VanDerWaalsContact O-N 3.14Å; Q533-Q535 PolarHBondContact O-N 3.14Å
534K57Low82.1Confident180 Ų18048.6 Ų48.678%0.78326%0.258SS*.  trans-52.5132.9-178.6-71.7-179176.6178.40110.2S536K534-S536 PolarHBondContact O-N 3.37Å
535Q59.3Low81.4Confident88 Ų8850.5 Ų50.541%0.41126%0.263SS..SBendtrans-65.68-172.2-64.8-170.2-18.500115.6Q533 S537 R538Q533-Q535 PolarHBondContact O-N 3.14Å; Q535-S537 PolarHBondContact O-N 2.98Å; Q535-R538 PolarHBondContact O-N 3.04Å
536S61.9Low80.1Confident35 Ų3553 Ų5325%0.24528%0.279CS..THydrogen-bonded Turntrans-68.4-7.2-165.456.40000115.7K534 V791K534-S536 PolarHBondContact O-N 3.37Å; S536-V791 VanDerWaalsContact O-CG2 3.31Å; S536-V791 WeakPolarHBondContact O-CG2 3.44Å
537S78.1Confident78.6Confident22 Ų2254.3 Ų54.315%0.15429%0.291CS..THydrogen-bonded Turntrans-127.514.6178.9-560000114.7W528 Q535W528-S537 PolarHBondContact NE1-O 2.75Å; Q535-S537 PolarHBondContact O-N 2.98Å
538R91.5Very high77.3Confident68 Ų6851.7 Ų51.726%0.25729%0.286SS..  trans-82.2128.9168.7-166.1179.7-173.9-137.72.9109.7E519 N526 F529 Q535 F540E519-R538 IonicContact OE1-CZ 3.57Å; E519-R538 IonicContact OE1-NE 3.31Å; E519-R538 PolarHBondContact OE1-NE 2.92Å; E519-R538 IonicContact OE1-NH2 2.73Å; E519-R538 PolarHBondContact OE1-NH2 3.03Å; E519-R538 IonicContact OE2-CZ 2.79Å; E519-R538 IonicContact OE2-NE 3.07Å; E519-R538 IonicContact OE2-NH2 3.45Å; E519-R538 PolarHBondContact OE2-NH2 3.28Å; N526-R538 HydrophobicContact CB-CG 4.49Å; N526-R538 WeakPolarHBondContact ND2-CG 3.48Å; F529-R538 HydrophobicContact CD2-CB 4.07Å; F529-R538 HydrophobicContact CE2-CB 4.26Å; F529-R538 HydrophobicContact CG-CB 4.49Å; Q535-R538 PolarHBondContact O-N 3.04Å; R538-F540 HydrophobicContact CB-CE2 4.28Å; R538-F540 HydrophobicContact CG-CE2 4.41Å; R538-F540 HydrophobicContact CG-CZ 4.5Å
539L95.6Very high77.4Confident0 Ų049.6 Ų49.60%028%0.279CS..EExtended strand (participates in β ladder)trans-92.1140.6175.5-59.5176.3000110.9Q515 N526 W528 Y644 V682 L693 P695 L793Q515-L539 PolarHBondContact NE2-O 3.29Å; N526-L539 PolarHBondContact ND2-O 2.96Å; N526-L539 PolarHBondContact OD1-N 2.94Å; W528-L539 HydrophobicContact CH2-CD1 4.21Å; W528-L539 HydrophobicContact CZ2-CD1 3.99Å; W528-L539 HydrophobicContact CZ2-CG 4.46Å; L539-Y644 HydrophobicContact CD1-CE2 4.27Å; L539-V682 HydrophobicContact CD1-CG1 4.16Å; L539-L693 HydrophobicContact CB-CB 4.31Å; L539-L693 HydrophobicContact CB-CD2 4.39Å; L539-L693 HydrophobicContact CD1-CB 4.31Å; L539-L693 HydrophobicContact CD1-CD1 4.44Å; L539-P695 HydrophobicContact CD2-CB 4.43Å; L539-L793 HydrophobicContact CD1-CD2 3.97Å; L539-L793 HydrophobicContact CD2-CD2 4.1Å
540F96.2Very high78.1Confident8 Ų848.1 Ų48.14%0.03527%0.274CS..EExtended strand (participates in β ladder)trans-117.2125.9178.1-64.4-94.9000109.5L490 L506 R538 L542 A692 L693 V694 I696L490-F540 HydrophobicContact CD1-CB 4.23Å; L490-F540 HydrophobicContact CD1-CD2 4.4Å; L490-F540 HydrophobicContact CD1-CG 4.33Å; L506-F540 HydrophobicContact CD1-CE1 4.14Å; L506-F540 HydrophobicContact CD2-CD1 4.09Å; L506-F540 HydrophobicContact CD2-CE1 4.1Å; R538-F540 HydrophobicContact CB-CE2 4.28Å; R538-F540 HydrophobicContact CG-CE2 4.41Å; R538-F540 HydrophobicContact CG-CZ 4.5Å; F540-L542 PolarHBondContact O-N 3.31Å; F540-A692 VanDerWaalsContact O-O 3.13Å; F540-L693 WeakPolarHBondContact O-CA 3.32Å; F540-V694 PolarHBondContact N-O 3.22Å; F540-V694 PolarHBondContact O-N 3.24Å; F540-I696 HydrophobicContact CD2-CD1 4.33Å; F540-I696 HydrophobicContact CD2-CG1 4.09Å; F540-I696 HydrophobicContact CE2-CD1 3.48Å; F540-I696 VanDerWaalsContact CE2-CD1 3.48Å; F540-I696 HydrophobicContact CE2-CG1 3.62Å; F540-I696 HydrophobicContact CZ-CD1 3.59Å; F540-I696 HydrophobicContact CZ-CG1 4.24Å
541A97.5Very high79.3Confident0 Ų043.7 Ų43.70%025%0.252CS..EExtended strand (participates in β ladder)trans-76.7106.7174.700000109.7C510 D511 Q515 A692 L693C510-A541 CarbonylContact C-O 3.57Å; C510-A541 WeakPolarHBondContact CA-O 3.43Å; C510-A541 VanDerWaalsContact CB-O 3.27Å; C510-A541 WeakPolarHBondContact CB-O 3.32Å; D511-A541 PolarHBondContact N-O 3.31Å; Q515-A541 HydrophobicContact CB-CB 4.45Å; A541-A692 WeakPolarHBondContact CA-O 3.28Å; A541-L693 HydrophobicContact CB-CD2 3.97Å
542L97.3Very high80.8Confident4 Ų438.4 Ų38.42%0.02122%0.217CC..EExtended strand (participates in β ladder)trans-71.6142.4173.9-57-175.1000110.3F488 L490 L509 F540 Q557 T691 A692 V694F488-L542 HydrophobicContact CD1-CD1 4.29Å; F488-L542 HydrophobicContact CE1-CD1 4.21Å; L490-L542 HydrophobicContact CD2-CD2 4.35Å; L509-L542 HydrophobicContact CD1-CD2 4.16Å; L509-L542 HydrophobicContact CD2-CD2 4.02Å; L509-L542 HydrophobicContact CG-CD2 3.88Å; F540-L542 PolarHBondContact O-N 3.31Å; L542-Q557 HydrophobicContact CD1-CB 4.33Å; L542-T691 WeakPolarHBondContact O-CB 3.5Å; L542-A692 HydrophobicContact CB-CB 4.2Å; L542-A692 HydrophobicContact CD1-CB 4.19Å; L542-A692 HydrophobicContact CG-CB 4.33Å; L542-A692 PolarHBondContact N-O 2.95Å; L542-V694 HydrophobicContact CD1-CG1 3.91Å; L542-V694 HydrophobicContact CD1-CG2 3.83Å; L542-V694 HydrophobicContact CD2-CG2 3.66Å; L542-V694 HydrophobicContact CG-CG1 4.29Å; L542-V694 HydrophobicContact CG-CG2 3.68Å
543W94.4Very high82.5Confident9 Ų934.3 Ų34.33%0.03418%0.175CC..  trans-77.3146.6173.4175.486.3000111.8S335 K448 M450 L509 D511 Q557 F563S335-W543 PolarHBondContact O-NE1 3.22Å; K448-W543 HydrophobicContact CB-CD2 3.55Å; K448-W543 HydrophobicContact CB-CE3 3.62Å; K448-W543 HydrophobicContact CB-CG 4.12Å; K448-W543 HydrophobicContact CB-CH2 3.92Å; K448-W543 HydrophobicContact CB-CZ2 3.86Å; K448-W543 HydrophobicContact CB-CZ3 3.83Å; K448-W543 HydrophobicContact CD-CB 4.19Å; K448-W543 HydrophobicContact CD-CD2 4.23Å; K448-W543 HydrophobicContact CD-CG 3.88Å; K448-W543 HydrophobicContact CG-CD2 3.6Å; K448-W543 HydrophobicContact CG-CE3 4.22Å; K448-W543 HydrophobicContact CG-CG 3.75Å; K448-W543 HydrophobicContact CG-CZ2 3.96Å; M450-W543 HydrophobicContact CE-CB 4.09Å; M450-W543 HydrophobicContact CE-CD2 4.35Å; M450-W543 HydrophobicContact CE-CE3 3.69Å; M450-W543 HydrophobicContact CE-CZ3 4.48Å; M450-W543 HydrophobicContact CG-CE3 4.1Å; M450-W543 HydrophobicContact CG-CZ3 4.38Å; M450-W543 HydrophobicContact SD-CE3 4.12Å; L509-W543 WeakPolarHBondContact O-CB 3.37Å; L509-W543 PolarHBondContact O-N 3.08Å; D511-W543 HydrophobicContact CB-CB 4.3Å; W543-Q557 PolarHBondContact O-NE2 3.1Å; W543-F563 HydrophobicContact CE3-CZ 4.35Å; W543-F563 HydrophobicContact CZ3-CZ 4.07Å
544N91Very high84.3Confident0 Ų028.3 Ų28.30%015%0.147CC..  trans-142.4-175.5171.56358.9000111.7C550 D553 S554 F563 H689 F690N544-C550 VanDerWaalsContact OD1-CB 3.3Å; N544-C550 WeakPolarHBondContact OD1-CB 3.25Å; N544-D553 HydrophobicContact CB-CB 4.02Å; N544-S554 PolarHBondContact ND2-OG 2.87Å; N544-F563 HydrophobicContact CB-CD1 4.22Å; N544-F563 HydrophobicContact CB-CE1 3.67Å; N544-H689 PolarHBondContact OD1-CE1 3.33Å; N544-F690 PolarHBondContact ND2-O 2.85Å
545R80.9Confident86.2Confident50 Ų5019.7 Ų19.719%0.18911%0.109CC..  trans-71.8133.3176.545159.2174163.7-0.1110.8S335 A547 D549 D553 D564S335-R545 WeakPolarHBondContact OG-CA 3.39Å; R545-A547 VanDerWaalsContact C-N 3.34Å; R545-D549 IonicContact CZ-OD2 2.64Å; R545-D549 IonicContact NH1-OD2 3.2Å; R545-D549 PolarHBondContact NH1-OD2 3.17Å; R545-D549 IonicContact NH2-OD2 3.67Å; R545-D553 WeakPolarHBondContact CD-OD2 3.12Å; R545-D553 WeakPolarHBondContact CG-OD2 3.22Å; R545-D553 IonicContact CZ-OD1 3.05Å; R545-D553 IonicContact CZ-OD2 3.81Å; R545-D553 IonicContact NE-OD1 3.32Å; R545-D553 PolarHBondContact NE-OD1 3.01Å; R545-D553 IonicContact NE-OD2 3.73Å; R545-D553 PolarHBondContact NE-OD2 3.37Å; R545-D553 IonicContact NH2-OD1 3.86Å; R545-D553 PolarHBondContact NH2-OD1 2.92Å; R545-D553 IonicContact NH2-OD2 3.68Å; R545-D564 PolarHBondContact NH2-O 2.9Å
546T68.7Low88Confident52 Ų5215.8 Ų15.832%0.3199%0.091SC..  trans-87.5-4.3175.366.50000113.3S335 G548S335-T546 WeakPolarHBondContact CA-OG1 3.43Å; S335-T546 PolarHBondContact OG-N 3.42Å; S335-T546 PolarHBondContact OG-OG1 2.98Å; T546-G548 PolarHBondContact O-N 2.94Å
547A62.1Low89.7Confident35 Ų3514.3 Ų14.329%0.2898%0.08SC..SBendtrans-7944.3-174.900000113R545 R622R545-A547 VanDerWaalsContact C-N 3.34Å; A547-R622 WeakPolarHBondContact O-CB 3.39Å; A547-R622 VanDerWaalsContact O-CD 3.22Å; A547-R622 WeakPolarHBondContact O-CD 3.42Å; A547-R622 WeakPolarHBondContact O-CG 3.31Å
548G65.5Low90.6Very high18 Ų1813.6 Ų13.619%0.1868%0.076CC..SBendtrans77.1174.8-167.900000113.7T546 C550 R622T546-G548 PolarHBondContact O-N 2.94Å; G548-C550 PolarHBondContact O-N 3.31Å; G548-C550 VanDerWaalsContact O-N 3.08Å; G548-R622 VanDerWaalsContact CA-O 3.31Å; G548-R622 WeakPolarHBondContact CA-O 3.38Å
549D89.9Confident90.9Very high6 Ų610.6 Ų10.63%0.0327%0.065CC..  trans61.76.5-180-51-38.1000116.9R545 L551 L552 D553 R570 R622R545-D549 IonicContact CZ-OD2 2.64Å; R545-D549 IonicContact NH1-OD2 3.2Å; R545-D549 PolarHBondContact NH1-OD2 3.17Å; R545-D549 IonicContact NH2-OD2 3.67Å; D549-L551 PolarHBondContact O-N 2.95Å; D549-L552 HydrophobicContact CB-CD1 4.34Å; D549-L552 WeakPolarHBondContact O-CB 3.42Å; D549-L552 PolarHBondContact O-N 2.94Å; D549-D553 PolarHBondContact O-N 2.9Å; D549-D553 VanDerWaalsContact O-N 3.14Å; D549-R570 IonicContact OD1-CZ 3.74Å; D549-R570 IonicContact OD1-NE 2.72Å; D549-R570 PolarHBondContact OD1-NE 2.75Å; D549-R570 IonicContact OD1-NH2 2.95Å; D549-R622 WeakPolarHBondContact OD1-CA 3.4Å; D549-R622 PolarHBondContact OD1-N 2.79Å; D549-R622 PolarHBondContact OD2-N 2.81Å
550C94.5Very high90.9Very high16 Ų1611.4 Ų11.411%0.1087%0.068CC..Hα-helixtrans-55.6-27.7-176.563.50000115N544 G548 S554 H689 F690N544-C550 VanDerWaalsContact OD1-CB 3.3Å; N544-C550 WeakPolarHBondContact OD1-CB 3.25Å; G548-C550 PolarHBondContact O-N 3.31Å; G548-C550 VanDerWaalsContact O-N 3.08Å; C550-S554 VanDerWaalsContact O-CB 3.27Å; C550-S554 WeakPolarHBondContact O-CB 3.35Å; C550-S554 PolarHBondContact O-N 2.87Å; C550-S554 PolarHBondContact O-OG 3.35Å; C550-H689 WeakPolarHBondContact CB-ND1 3.27Å; C550-F690 PolarHBondContact SG-N 2.72Å; C550-F690 VanDerWaalsContact SG-N 3.44Å
551L97Very high90.9Very high3 Ų311.2 Ų11.22%0.0167%0.069CC..Hα-helixtrans-61.3-49.6172174.958.8000111.6D549 S554 V555 L625 H629 I630 L633 L683 F690D549-L551 PolarHBondContact O-N 2.95Å; L551-S554 PolarHBondContact O-N 3.02Å; L551-V555 HydrophobicContact CD1-CG2 4.49Å; L551-V555 WeakPolarHBondContact O-CG2 3.4Å; L551-V555 PolarHBondContact O-N 2.88Å; L551-L625 HydrophobicContact CB-CD1 4.48Å; L551-L625 HydrophobicContact CD2-CB 3.76Å; L551-L625 HydrophobicContact CD2-CD1 4.02Å; L551-H629 HydrophobicContact CD2-CB 4.43Å; L551-I630 HydrophobicContact CD1-CD1 4.41Å; L551-I630 HydrophobicContact CD1-CG1 4.06Å; L551-I630 HydrophobicContact CD2-CG1 3.9Å; L551-L633 HydrophobicContact CD1-CD1 4.38Å; L551-L633 HydrophobicContact CD2-CD1 3.77Å; L551-L633 HydrophobicContact CG-CD1 3.84Å; L551-L683 HydrophobicContact CD1-CD1 3.83Å; L551-F690 HydrophobicContact CB-CB 4.48Å; L551-F690 HydrophobicContact CB-CD2 3.7Å; L551-F690 HydrophobicContact CB-CE2 4.11Å; L551-F690 HydrophobicContact CB-CG 4.11Å; L551-F690 HydrophobicContact CD1-CD1 3.88Å; L551-F690 HydrophobicContact CD1-CD2 4.16Å; L551-F690 HydrophobicContact CD1-CE1 4.01Å; L551-F690 HydrophobicContact CD1-CE2 4.28Å; L551-F690 HydrophobicContact CD1-CG 3.95Å; L551-F690 HydrophobicContact CD1-CZ 4.21Å; L551-F690 HydrophobicContact CG-CD2 4.44Å
552L97.2Very high90.8Very high0 Ų011.2 Ų11.20%07%0.069CC..Hα-helixtrans-69.5-41.1-175.5-56.9170000110.7D549 V555 L556 D564 L569 R570 L573 L625 L633D549-L552 HydrophobicContact CB-CD1 4.34Å; D549-L552 WeakPolarHBondContact O-CB 3.42Å; D549-L552 PolarHBondContact O-N 2.94Å; L552-V555 PolarHBondContact O-N 2.77Å; L552-L556 PolarHBondContact O-N 2.67Å; L552-D564 HydrophobicContact CB-CB 4.02Å; L552-L569 HydrophobicContact CB-CD2 4.23Å; L552-L569 HydrophobicContact CD2-CD2 3.95Å; L552-L569 HydrophobicContact CD2-CG 3.95Å; L552-R570 HydrophobicContact CD1-CB 3.51Å; L552-R570 HydrophobicContact CD1-CG 3.59Å; L552-L573 HydrophobicContact CD2-CD2 4Å; L552-L625 HydrophobicContact CD1-CD1 4.15Å; L552-L625 HydrophobicContact CD2-CD1 4.25Å; L552-L625 HydrophobicContact CG-CD1 4.05Å; L552-L633 HydrophobicContact CD2-CD1 3.93Å; L552-L633 HydrophobicContact CD2-CD2 3.92Å; L552-L633 HydrophobicContact CD2-CG 4.49Å
553D96.1Very high90.6Very high0 Ų012.4 Ų12.40%07%0.074CC..Hα-helixtrans-60.6-46.5171.6-79.43.2000112N544 R545 D549 V555 L556 Q557 F563 D564N544-D553 HydrophobicContact CB-CB 4.02Å; R545-D553 WeakPolarHBondContact CD-OD2 3.12Å; R545-D553 WeakPolarHBondContact CG-OD2 3.22Å; R545-D553 IonicContact CZ-OD1 3.05Å; R545-D553 IonicContact CZ-OD2 3.81Å; R545-D553 IonicContact NE-OD1 3.32Å; R545-D553 PolarHBondContact NE-OD1 3.01Å; R545-D553 IonicContact NE-OD2 3.73Å; R545-D553 PolarHBondContact NE-OD2 3.37Å; R545-D553 IonicContact NH2-OD1 3.86Å; R545-D553 PolarHBondContact NH2-OD1 2.92Å; R545-D553 IonicContact NH2-OD2 3.68Å; D549-D553 PolarHBondContact O-N 2.9Å; D549-D553 VanDerWaalsContact O-N 3.14Å; D553-V555 VanDerWaalsContact C-N 3.28Å; D553-V555 PolarHBondContact O-N 3.16Å; D553-L556 PolarHBondContact O-N 2.97Å; D553-Q557 VanDerWaalsContact O-CB 3.25Å; D553-Q557 WeakPolarHBondContact O-CB 3.25Å; D553-Q557 VanDerWaalsContact O-CG 3.24Å; D553-Q557 WeakPolarHBondContact O-CG 3.46Å; D553-Q557 PolarHBondContact O-N 3.05Å; D553-F563 HydrophobicContact CB-CD1 4Å; D553-F563 WeakPolarHBondContact OD1-CB 3.41Å; D553-D564 PolarHBondContact OD1-N 2.83Å
554S97.9Very high90.6Very high0 Ų012 Ų120%07%0.073CC..Hα-helixtrans-62-38178.9-61.50000112N544 C550 L551 A558 F690 T691 A692N544-S554 PolarHBondContact ND2-OG 2.87Å; C550-S554 VanDerWaalsContact O-CB 3.27Å; C550-S554 WeakPolarHBondContact O-CB 3.35Å; C550-S554 PolarHBondContact O-N 2.87Å; C550-S554 PolarHBondContact O-OG 3.35Å; L551-S554 PolarHBondContact O-N 3.02Å; S554-A558 VanDerWaalsContact O-CB 3.27Å; S554-A558 WeakPolarHBondContact O-CB 3.22Å; S554-A558 PolarHBondContact O-N 2.99Å; S554-F690 PolarHBondContact OG-O 3.21Å; S554-T691 VanDerWaalsContact OG-C 3.32Å; S554-T691 VanDerWaalsContact OG-CA 3.22Å; S554-T691 WeakPolarHBondContact OG-CA 3.09Å; S554-T691 PolarHBondContact OG-N 2.94Å; S554-A692 WeakPolarHBondContact O-CB 3.15Å
555V98.1Very high90.6Very high0 Ų016.7 Ų16.70%09%0.09CC..Hα-helixtrans-64.5-50.41751650000111.5L551 L552 D553 Q557 A558 C559 L569 L633 L637 I681 L683L551-V555 HydrophobicContact CD1-CG2 4.49Å; L551-V555 WeakPolarHBondContact O-CG2 3.4Å; L551-V555 PolarHBondContact O-N 2.88Å; L552-V555 PolarHBondContact O-N 2.77Å; D553-V555 VanDerWaalsContact C-N 3.28Å; D553-V555 PolarHBondContact O-N 3.16Å; V555-Q557 VanDerWaalsContact C-N 3.32Å; V555-Q557 PolarHBondContact O-N 2.76Å; V555-A558 PolarHBondContact O-N 3.02Å; V555-C559 PolarHBondContact O-N 2.84Å; V555-C559 VanDerWaalsContact O-N 3.08Å; V555-C559 PolarHBondContact O-SG 2.81Å; V555-L569 HydrophobicContact CB-CD2 4.05Å; V555-L569 HydrophobicContact CG1-CD2 3.62Å; V555-L633 HydrophobicContact CG2-CD1 4.45Å; V555-L637 HydrophobicContact CG1-CD1 3.43Å; V555-L637 VanDerWaalsContact CG1-CD1 3.43Å; V555-L637 HydrophobicContact CG1-CD2 4.39Å; V555-I681 HydrophobicContact CG1-CD1 4.41Å; V555-L683 HydrophobicContact CG2-CD1 3.99Å; V555-L683 HydrophobicContact CG2-CD2 4.35Å
556L97Very high91Very high6 Ų618.3 Ų18.33%0.03110%0.1CC..Hα-helixtrans-68.9-29.7178.4-67.4-166.8000112.7L552 D553 W560 G561 V562 D564 L569L552-L556 PolarHBondContact O-N 2.67Å; D553-L556 PolarHBondContact O-N 2.97Å; L556-W560 HydrophobicContact CD2-CE3 3.74Å; L556-W560 HydrophobicContact CD2-CZ3 3.63Å; L556-W560 CarbonylContact O-C 3.54Å; L556-W560 WeakPolarHBondContact O-CA 3.48Å; L556-W560 PolarHBondContact O-N 2.87Å; L556-G561 PolarHBondContact O-N 2.9Å; L556-G561 VanDerWaalsContact O-N 3.12Å; L556-V562 CarbonylContact C-O 3.53Å; L556-V562 HydrophobicContact CB-CG2 4.26Å; L556-V562 VanDerWaalsContact CB-O 3.22Å; L556-V562 WeakPolarHBondContact CB-O 3.21Å; L556-D564 HydrophobicContact CD1-CB 3.61Å; L556-D564 HydrophobicContact CG-CB 4.37Å; L556-L569 HydrophobicContact CD1-CB 4.45Å; L556-L569 HydrophobicContact CD2-CB 4.45Å; L556-L569 HydrophobicContact CD2-CD2 3.93Å; L556-L569 HydrophobicContact CG-CB 4.49Å; L556-L569 HydrophobicContact CG-CD2 3.97Å
557Q96.8Very high92.1Very high3 Ų317.7 Ų17.71%0.01410%0.095CC..Hα-helixtrans-65.6-48.5171.1-80.7-175.2-47.600111.4F488 L542 W543 D553 V555 C559 G561 V562 F563 A692F488-Q557 WeakPolarHBondContact CB-O 3.36Å; F488-Q557 WeakPolarHBondContact CG-O 3.26Å; L542-Q557 HydrophobicContact CD1-CB 4.33Å; W543-Q557 PolarHBondContact O-NE2 3.1Å; D553-Q557 VanDerWaalsContact O-CB 3.25Å; D553-Q557 WeakPolarHBondContact O-CB 3.25Å; D553-Q557 VanDerWaalsContact O-CG 3.24Å; D553-Q557 WeakPolarHBondContact O-CG 3.46Å; D553-Q557 PolarHBondContact O-N 3.05Å; V555-Q557 VanDerWaalsContact C-N 3.32Å; V555-Q557 PolarHBondContact O-N 2.76Å; Q557-C559 PolarHBondContact O-N 3.32Å; Q557-G561 WeakPolarHBondContact O-CA 3.5Å; Q557-G561 PolarHBondContact O-N 2.86Å; Q557-V562 PolarHBondContact N-O 3.48Å; Q557-V562 VanDerWaalsContact N-O 3.08Å; Q557-F563 HydrophobicContact CG-CD1 4.16Å; Q557-F563 HydrophobicContact CG-CE1 4.24Å; Q557-F563 VanDerWaalsContact NE2-CE1 3.34Å; Q557-A692 HydrophobicContact CB-CB 3.68Å
558A97.7Very high93.7Very high8 Ų817 Ų177%0.0669%0.088CC..Hα-helixtrans-65.2-23.517900000113.2F488 S554 V555 I681 A692F488-A558 PolarHBondContact N-O 3.49Å; S554-A558 VanDerWaalsContact O-CB 3.27Å; S554-A558 WeakPolarHBondContact O-CB 3.22Å; S554-A558 PolarHBondContact O-N 2.99Å; V555-A558 PolarHBondContact O-N 3.02Å; A558-I681 HydrophobicContact CB-CG2 3.77Å; A558-A692 HydrophobicContact CB-CB 4.07Å
559C97.1Very high95.2Very high5 Ų516.2 Ų16.23%0.0348%0.079CC..Hα-helixtrans-94.3-44.7178.1-62.60000113.6G486 T487 F488 V555 Q557 I681G486-C559 CarbonylContact C-O 3.57Å; G486-C559 WeakPolarHBondContact CA-O 3.38Å; G486-C559 WeakPolarHBondContact O-CA 3.32Å; T487-C559 CarbonylContact C-O 3.57Å; T487-C559 PolarHBondContact N-O 2.86Å; F488-C559 PolarHBondContact N-O 2.85Å; V555-C559 PolarHBondContact O-N 2.84Å; V555-C559 VanDerWaalsContact O-N 3.08Å; V555-C559 PolarHBondContact O-SG 2.81Å; Q557-C559 PolarHBondContact O-N 3.32Å; C559-I681 VanDerWaalsContact SG-CD1 3.52Å
560W96.4Very high95.5Very high16 Ų1616.1 Ų16.16%0.0618%0.078CC..Hα-helixtrans-138.60.1-168.9-62.4-76.5000115.1L462 L466 F482 L556 V562 V847L462-W560 HydrophobicContact CD2-CB 4.33Å; L466-W560 HydrophobicContact CD1-CB 4.32Å; L466-W560 HydrophobicContact CD1-CD2 3.81Å; L466-W560 HydrophobicContact CD1-CE3 3.82Å; L466-W560 HydrophobicContact CD1-CG 4.02Å; L466-W560 HydrophobicContact CD1-CZ3 4.48Å; L466-W560 HydrophobicContact CD2-CD2 3.64Å; L466-W560 HydrophobicContact CD2-CE3 4.01Å; L466-W560 HydrophobicContact CD2-CG 4.19Å; L466-W560 HydrophobicContact CD2-CH2 4Å; L466-W560 HydrophobicContact CD2-CZ2 3.6Å; L466-W560 HydrophobicContact CD2-CZ3 4.18Å; L466-W560 HydrophobicContact CG-CD2 4.39Å; F482-W560 HydrophobicContact CD1-CH2 4.04Å; L556-W560 HydrophobicContact CD2-CE3 3.74Å; L556-W560 HydrophobicContact CD2-CZ3 3.63Å; L556-W560 CarbonylContact O-C 3.54Å; L556-W560 WeakPolarHBondContact O-CA 3.48Å; L556-W560 PolarHBondContact O-N 2.87Å; W560-V562 HydrophobicContact CB-CG2 4.28Å; W560-V847 HydrophobicContact CB-CG2 4.43Å; W560-V847 WeakPolarHBondContact O-CG2 3.35Å
561G95.5Very high95.6Very high5 Ų522.5 Ų22.55%0.05210%0.1CC..SBendtrans74.121.317800000115.4L556 Q557L556-G561 PolarHBondContact O-N 2.9Å; L556-G561 VanDerWaalsContact O-N 3.12Å; Q557-G561 WeakPolarHBondContact O-CA 3.5Å; Q557-G561 PolarHBondContact O-N 2.86Å
562V94.9Very high95.6Very high0 Ų022.7 Ų22.70%010%0.102CC..  trans-124.5164.1-179.8-61.40000112.2C452 A459 L462 R463 L466 L556 Q557 W560 M850C452-V562 HydrophobicContact CB-CB 4.38Å; C452-V562 HydrophobicContact CB-CG1 4Å; A459-V562 HydrophobicContact CB-CG1 4.19Å; L462-V562 HydrophobicContact CD2-CG1 3.84Å; R463-V562 HydrophobicContact CG-CB 4.47Å; R463-V562 HydrophobicContact CG-CG2 4.05Å; L466-V562 HydrophobicContact CD1-CG2 4.41Å; L556-V562 CarbonylContact C-O 3.53Å; L556-V562 HydrophobicContact CB-CG2 4.26Å; L556-V562 VanDerWaalsContact CB-O 3.22Å; L556-V562 WeakPolarHBondContact CB-O 3.21Å; Q557-V562 PolarHBondContact N-O 3.48Å; Q557-V562 VanDerWaalsContact N-O 3.08Å; W560-V562 HydrophobicContact CB-CG2 4.28Å; V562-M850 HydrophobicContact CG1-CE 3.96Å; V562-M850 HydrophobicContact CG1-SD 3.97Å
563F94.1Very high95.6Very high29 Ų2922.7 Ų22.713%0.12710%0.102CC..  trans-91.5157.4173-56.3-49.4000111.4M450 Q453 R463 W543 N544 D553 Q557 R565M450-F563 HydrophobicContact CB-CZ 4.47Å; M450-F563 HydrophobicContact CG-CE1 4.43Å; M450-F563 HydrophobicContact CG-CE2 4.35Å; M450-F563 HydrophobicContact CG-CZ 3.66Å; Q453-F563 HydrophobicContact CG-CE2 4.33Å; R463-F563 WeakPolarHBondContact CD-O 3.42Å; W543-F563 HydrophobicContact CE3-CZ 4.35Å; W543-F563 HydrophobicContact CZ3-CZ 4.07Å; N544-F563 HydrophobicContact CB-CD1 4.22Å; N544-F563 HydrophobicContact CB-CE1 3.67Å; D553-F563 HydrophobicContact CB-CD1 4Å; D553-F563 WeakPolarHBondContact OD1-CB 3.41Å; Q557-F563 HydrophobicContact CG-CD1 4.16Å; Q557-F563 HydrophobicContact CG-CE1 4.24Å; Q557-F563 VanDerWaalsContact NE2-CE1 3.34Å; F563-R565 PolarHBondContact O-N 2.8Å
564D94.9Very high95.7Very high1 Ų123.3 Ų23.31%0.00511%0.106CC..  trans-81.261.9172.9-169.633.7000111R545 L552 D553 L556 E566 N567 C568 L569 R570R545-D564 PolarHBondContact NH2-O 2.9Å; L552-D564 HydrophobicContact CB-CB 4.02Å; D553-D564 PolarHBondContact OD1-N 2.83Å; L556-D564 HydrophobicContact CD1-CB 3.61Å; L556-D564 HydrophobicContact CG-CB 4.37Å; D564-E566 PolarHBondContact O-N 2.8Å; D564-N567 PolarHBondContact O-N 3.46Å; D564-N567 PolarHBondContact O-OD1 3.47Å; D564-N567 WeakPolarHBondContact OD2-CA 3.46Å; D564-C568 PolarHBondContact OD1-N 3.21Å; D564-C568 PolarHBondContact OD2-N 3.33Å; D564-L569 HydrophobicContact CB-CB 4.42Å; D564-L569 PolarHBondContact OD1-N 3.16Å; D564-L569 WeakPolarHBondContact OD2-CB 3.41Å; D564-L569 PolarHBondContact OD2-N 2.81Å; D564-R570 PolarHBondContact OD2-N 2.86Å
565R90Very high95.6Very high97 Ų9726.7 Ų26.737%0.36612%0.122SC..THydrogen-bonded Turntrans-68.8-35.8-168-174.8176.7-165.2159.215113.4L218 N220 F563 N567L218-R565 VanDerWaalsContact C-NH2 3.34Å; L218-R565 VanDerWaalsContact CA-NH2 3.3Å; L218-R565 PolarHBondContact O-NH1 3.18Å; L218-R565 PolarHBondContact O-NH2 2.81Å; N220-R565 PolarHBondContact OD1-NH1 3.12Å; F563-R565 PolarHBondContact O-N 2.8Å; R565-N567 VanDerWaalsContact C-N 3.32Å
566E89.4Confident95.6Very high84 Ų8426.7 Ų26.739%0.39312%0.122SC..THydrogen-bonded Turntrans-97.719.5179.4-56.474.9-161.600111.9R463 D564 C568 R571R463-E566 WeakPolarHBondContact CD-OE2 3.47Å; R463-E566 IonicContact CZ-OE1 2.68Å; R463-E566 VanDerWaalsContact CZ-OE1 3.31Å; R463-E566 IonicContact CZ-OE2 2.78Å; R463-E566 VanDerWaalsContact NE-CD 3.26Å; R463-E566 IonicContact NE-OE1 2.7Å; R463-E566 PolarHBondContact NE-OE1 2.92Å; R463-E566 IonicContact NE-OE2 3.51Å; R463-E566 PolarHBondContact NE-OE2 3.15Å; R463-E566 IonicContact NH2-OE1 3.67Å; R463-E566 PolarHBondContact NH2-OE1 3.15Å; R463-E566 IonicContact NH2-OE2 3.1Å; D564-E566 PolarHBondContact O-N 2.8Å; E566-C568 PolarHBondContact O-N 2.84Å; E566-C568 VanDerWaalsContact O-N 3.11Å; E566-R571 PolarHBondContact O-NH2 2.9Å; E566-R571 VanDerWaalsContact O-NH2 3.1Å
567N92.9Very high95.6Very high40 Ų4026.4 Ų26.421%0.21412%0.121CC..SBendtrans48.740177.8-64.7-19.3000112.2D564 R565 R570 R571D564-N567 PolarHBondContact O-N 3.46Å; D564-N567 PolarHBondContact O-OD1 3.47Å; D564-N567 WeakPolarHBondContact OD2-CA 3.46Å; R565-N567 VanDerWaalsContact C-N 3.32Å; N567-R570 HydrophobicContact CB-CB 3.99Å; N567-R571 WeakPolarHBondContact O-CB 3.25Å; N567-R571 VanDerWaalsContact O-CG 3.29Å; N567-R571 WeakPolarHBondContact O-CG 3.48Å; N567-R571 PolarHBondContact O-N 2.75Å; N567-R571 VanDerWaalsContact O-N 3.14Å; N567-R571 PolarHBondContact O-NE 3.44Å
568C95Very high95.6Very high21 Ų2132.1 Ų32.114%0.14215%0.147CC..Hα-helixtrans-75.9-51.4-178-1710000109.5D564 E566 R570 R571 T572D564-C568 PolarHBondContact OD1-N 3.21Å; D564-C568 PolarHBondContact OD2-N 3.33Å; E566-C568 PolarHBondContact O-N 2.84Å; E566-C568 VanDerWaalsContact O-N 3.11Å; C568-R570 VanDerWaalsContact C-N 3.3Å; C568-R570 PolarHBondContact O-N 3.49Å; C568-R571 PolarHBondContact O-N 3.41Å; C568-T572 PolarHBondContact O-N 3.01Å; C568-T572 PolarHBondContact O-OG1 3.49Å
569L96.7Very high95.5Very high0 Ų035.4 Ų35.40%016%0.164CC..Hα-helixtrans-64.9-37.9176.2-174.665.1000110.7F482 L552 V555 L556 D564 T572 L573 L633 V636 L637F482-L569 HydrophobicContact CE2-CD1 3.66Å; F482-L569 HydrophobicContact CZ-CD1 4.08Å; L552-L569 HydrophobicContact CB-CD2 4.23Å; L552-L569 HydrophobicContact CD2-CD2 3.95Å; L552-L569 HydrophobicContact CD2-CG 3.95Å; V555-L569 HydrophobicContact CB-CD2 4.05Å; V555-L569 HydrophobicContact CG1-CD2 3.62Å; L556-L569 HydrophobicContact CD1-CB 4.45Å; L556-L569 HydrophobicContact CD2-CB 4.45Å; L556-L569 HydrophobicContact CD2-CD2 3.93Å; L556-L569 HydrophobicContact CG-CB 4.49Å; L556-L569 HydrophobicContact CG-CD2 3.97Å; D564-L569 HydrophobicContact CB-CB 4.42Å; D564-L569 PolarHBondContact OD1-N 3.16Å; D564-L569 WeakPolarHBondContact OD2-CB 3.41Å; D564-L569 PolarHBondContact OD2-N 2.81Å; L569-T572 PolarHBondContact O-N 3.32Å; L569-L573 WeakPolarHBondContact O-CB 3.29Å; L569-L573 PolarHBondContact O-N 3.18Å; L569-L633 HydrophobicContact CD1-CD2 3.8Å; L569-L633 HydrophobicContact CD2-CD2 4.01Å; L569-L633 HydrophobicContact CG-CD2 3.79Å; L569-V636 HydrophobicContact CD1-CG1 4.01Å; L569-L637 HydrophobicContact CD1-CD2 4.27Å
570R96.6Very high95.5Very high5 Ų535.2 Ų35.22%0.01916%0.162CC..Hα-helixtrans-55.9-50.4174.2-160.1166.3-144.9-68.4-3112.9D549 L552 D564 N567 C568 L573 A574 A617 A618 C619 Q620 E623D549-R570 IonicContact OD1-CZ 3.74Å; D549-R570 IonicContact OD1-NE 2.72Å; D549-R570 PolarHBondContact OD1-NE 2.75Å; D549-R570 IonicContact OD1-NH2 2.95Å; L552-R570 HydrophobicContact CD1-CB 3.51Å; L552-R570 HydrophobicContact CD1-CG 3.59Å; D564-R570 PolarHBondContact OD2-N 2.86Å; N567-R570 HydrophobicContact CB-CB 3.99Å; C568-R570 VanDerWaalsContact C-N 3.3Å; C568-R570 PolarHBondContact O-N 3.49Å; R570-L573 WeakPolarHBondContact O-CB 3.28Å; R570-L573 PolarHBondContact O-N 2.88Å; R570-A574 PolarHBondContact O-N 3.31Å; R570-A617 PolarHBondContact NH1-O 3.27Å; R570-A617 PolarHBondContact NH2-O 2.99Å; R570-A618 PolarHBondContact NH1-O 3.23Å; R570-C619 VanDerWaalsContact NH1-C 3.26Å; R570-C619 PolarHBondContact NH1-O 3.43Å; R570-Q620 PolarHBondContact NH1-O 3.29Å; R570-Q620 PolarHBondContact NH2-O 3.47Å; R570-E623 PolarHBondContact NH2-O 3.44Å
571R96.2Very high95.5Very high150 Ų15037.4 Ų37.457%0.56617%0.174SC*.Hα-helixtrans-66.5-42.5179.6-76.3177.7-67.9129.6-4.9111.7E566 N567 C568 L573 A574 E575E566-R571 PolarHBondContact O-NH2 2.9Å; E566-R571 VanDerWaalsContact O-NH2 3.1Å; N567-R571 WeakPolarHBondContact O-CB 3.25Å; N567-R571 VanDerWaalsContact O-CG 3.29Å; N567-R571 WeakPolarHBondContact O-CG 3.48Å; N567-R571 PolarHBondContact O-N 2.75Å; N567-R571 VanDerWaalsContact O-N 3.14Å; N567-R571 PolarHBondContact O-NE 3.44Å; C568-R571 PolarHBondContact O-N 3.41Å; R571-L573 VanDerWaalsContact C-N 3.3Å; R571-L573 PolarHBondContact O-N 2.87Å; R571-A574 PolarHBondContact O-N 3.02Å; R571-E575 VanDerWaalsContact O-CB 3.26Å; R571-E575 WeakPolarHBondContact O-CB 3.3Å; R571-E575 PolarHBondContact O-N 3.49Å
572T97.2Very high95.5Very high7 Ų741.2 Ų41.24%0.04321%0.205CC..Hα-helixtrans-63-35.9176.2-51.40000112.2V470 A480 F482 C568 L569 S576 V636V470-T572 HydrophobicContact CG1-CG2 3.92Å; A480-T572 HydrophobicContact CB-CG2 3.72Å; F482-T572 HydrophobicContact CE2-CG2 4.42Å; C568-T572 PolarHBondContact O-N 3.01Å; C568-T572 PolarHBondContact O-OG1 3.49Å; L569-T572 PolarHBondContact O-N 3.32Å; T572-S576 VanDerWaalsContact O-CB 3.25Å; T572-S576 WeakPolarHBondContact O-CB 3.35Å; T572-S576 PolarHBondContact O-N 3.24Å; T572-S576 PolarHBondContact O-OG 2.69Å; T572-V636 HydrophobicContact CG2-CG1 3.62Å; T572-V636 HydrophobicContact CG2-CG2 4.45Å
573L98Very high95.6Very high0 Ų043.4 Ų43.40%022%0.216CC..Hα-helixtrans-64.2-51.1172.9170.561.1000111.8L552 L569 R570 R571 S576 L577 L625 H629 A632 L633L552-L573 HydrophobicContact CD2-CD2 4Å; L569-L573 WeakPolarHBondContact O-CB 3.29Å; L569-L573 PolarHBondContact O-N 3.18Å; R570-L573 WeakPolarHBondContact O-CB 3.28Å; R570-L573 PolarHBondContact O-N 2.88Å; R571-L573 VanDerWaalsContact C-N 3.3Å; R571-L573 PolarHBondContact O-N 2.87Å; L573-S576 PolarHBondContact O-N 2.85Å; L573-L577 HydrophobicContact CD1-CD1 3.78Å; L573-L577 HydrophobicContact CD1-CG 4.16Å; L573-L577 HydrophobicContact CG-CD1 4.13Å; L573-L577 PolarHBondContact O-N 2.92Å; L573-L625 HydrophobicContact CD2-CD1 4.1Å; L573-H629 HydrophobicContact CD2-CB 4.2Å; L573-A632 HydrophobicContact CD1-CB 3.61Å; L573-L633 HydrophobicContact CB-CD2 4.1Å; L573-L633 HydrophobicContact CD1-CD2 4.23Å; L573-L633 HydrophobicContact CD1-CG 3.98Å; L573-L633 HydrophobicContact CD2-CD1 4.3Å; L573-L633 HydrophobicContact CD2-CD2 4.12Å; L573-L633 HydrophobicContact CD2-CG 4.03Å; L573-L633 HydrophobicContact CG-CD2 4.38Å; L573-L633 HydrophobicContact CG-CG 4.46Å
574A97.5Very high95.8Very high12 Ų1242 Ų4210%0.09921%0.21CC..Hα-helixtrans-60.4-47179.600000112R570 R571 S576 L577 Q578 A618R570-A574 PolarHBondContact O-N 3.31Å; R571-A574 PolarHBondContact O-N 3.02Å; A574-S576 PolarHBondContact O-N 3.42Å; A574-L577 PolarHBondContact O-N 3.37Å; A574-Q578 WeakPolarHBondContact O-CB 3.44Å; A574-Q578 PolarHBondContact O-N 2.73Å; A574-A618 HydrophobicContact CB-CB 4.12Å; A574-A618 WeakPolarHBondContact CB-O 3.49Å
575E96.6Very high95.9Very high71 Ų7143.6 Ų43.633%0.33222%0.216SC..Hα-helixtrans-59.4-45.8176.2-179.5178.2-164.800111.7H472 R571 Q578 N579H472-E575 IonicContact CD2-OE1 3.5Å; H472-E575 PolarHBondContact CD2-OE1 3.08Å; H472-E575 IonicContact CE1-OE1 4Å; H472-E575 IonicContact CE1-OE2 2.75Å; H472-E575 IonicContact NE2-OE1 3.44Å; H472-E575 PolarHBondContact NE2-OE1 3.3Å; H472-E575 IonicContact NE2-OE2 3.46Å; H472-E575 PolarHBondContact NE2-OE2 2.95Å; H472-E575 VanDerWaalsContact NE2-OE2 3.13Å; R571-E575 VanDerWaalsContact O-CB 3.26Å; R571-E575 WeakPolarHBondContact O-CB 3.3Å; R571-E575 PolarHBondContact O-N 3.49Å; E575-Q578 PolarHBondContact O-N 2.91Å; E575-N579 WeakPolarHBondContact CG-ND2 3.2Å; E575-N579 VanDerWaalsContact O-CB 3.25Å; E575-N579 WeakPolarHBondContact O-CB 3.49Å; E575-N579 PolarHBondContact O-N 2.95Å; E575-N579 PolarHBondContact O-ND2 3.25Å
576S97.6Very high96.2Very high0 Ų041.3 Ų41.30%021%0.214CC..Hα-helixtrans-67.7-34.2177.9-79.30000113.8C479 A480 T572 L573 A574 C580C479-S576 PolarHBondContact SG-OG 3.47Å; C479-S576 VanDerWaalsContact SG-OG 3.38Å; A480-S576 PolarHBondContact N-OG 2.81Å; A480-S576 PolarHBondContact O-OG 2.89Å; T572-S576 VanDerWaalsContact O-CB 3.25Å; T572-S576 WeakPolarHBondContact O-CB 3.35Å; T572-S576 PolarHBondContact O-N 3.24Å; T572-S576 PolarHBondContact O-OG 2.69Å; L573-S576 PolarHBondContact O-N 2.85Å; A574-S576 PolarHBondContact O-N 3.42Å; S576-C580 VanDerWaalsContact O-CB 3.28Å; S576-C580 WeakPolarHBondContact O-CB 3.41Å; S576-C580 PolarHBondContact O-N 3.16Å
577L96.9Very high96.5Very high0 Ų039.1 Ų39.10%020%0.202CC..Hα-helixtrans-67.4-44.7174.6-83167.5000111.2L573 A574 E581 F584 W611 L615 A618 A632L573-L577 HydrophobicContact CD1-CD1 3.78Å; L573-L577 HydrophobicContact CD1-CG 4.16Å; L573-L577 HydrophobicContact CG-CD1 4.13Å; L573-L577 PolarHBondContact O-N 2.92Å; A574-L577 PolarHBondContact O-N 3.37Å; L577-E581 PolarHBondContact O-N 3.34Å; L577-E581 VanDerWaalsContact O-N 3.17Å; L577-F584 HydrophobicContact CD2-CB 4.46Å; L577-F584 HydrophobicContact CD2-CD2 4.11Å; L577-F584 HydrophobicContact CD2-CG 4.28Å; L577-W611 HydrophobicContact CD2-CH2 4.23Å; L577-L615 HydrophobicContact CB-CD2 3.95Å; L577-A618 HydrophobicContact CD1-CB 3.75Å; L577-A632 HydrophobicContact CD1-CB 4.39Å; L577-A632 HydrophobicContact CD2-CB 3.63Å; L577-A632 HydrophobicContact CG-CB 3.83Å
578Q96Very high96.7Very high123 Ų12337.8 Ų37.858%0.57519%0.194SC*.Hα-helixtrans-69-45.2179.5-173.1168.639.400112.3A574 E575 C580A574-Q578 WeakPolarHBondContact O-CB 3.44Å; A574-Q578 PolarHBondContact O-N 2.73Å; E575-Q578 PolarHBondContact O-N 2.91Å; Q578-C580 VanDerWaalsContact C-N 3.33Å; Q578-C580 PolarHBondContact O-N 3.08Å
579N96.2Very high96.7Very high77 Ų7740.4 Ų40.441%0.41220%0.201SC..Hα-helixtrans-71.9-26-178.3-69-16000113.3P478 E575P478-N579 HydrophobicContact CG-CB 4.17Å; P478-N579 VanDerWaalsContact CG-O 3.29Å; P478-N579 WeakPolarHBondContact CG-O 3.15Å; E575-N579 WeakPolarHBondContact CG-ND2 3.2Å; E575-N579 VanDerWaalsContact O-CB 3.25Å; E575-N579 WeakPolarHBondContact O-CB 3.49Å; E575-N579 PolarHBondContact O-N 2.95Å; E575-N579 PolarHBondContact O-ND2 3.25Å
580C96.9Very high96.5Very high1 Ų144 Ų441%0.00722%0.22CC..THydrogen-bonded Turntrans-113.527.6-179.2-57.40000113.1F477 P478 C479 S576 Q578 A582 N583 F584F477-C580 HydrophobicContact CD2-CB 3.81Å; F477-C580 VanDerWaalsContact CD2-SG 3.53Å; F477-C580 HydrophobicContact CE2-CB 3.6Å; P478-C580 VanDerWaalsContact C-SG 3.51Å; P478-C580 VanDerWaalsContact CD-SG 3.59Å; C479-C580 VanDerWaalsContact CA-SG 3.52Å; C479-C580 PolarHBondContact N-SG 3.17Å; S576-C580 VanDerWaalsContact O-CB 3.28Å; S576-C580 WeakPolarHBondContact O-CB 3.41Å; S576-C580 PolarHBondContact O-N 3.16Å; Q578-C580 VanDerWaalsContact C-N 3.33Å; Q578-C580 PolarHBondContact O-N 3.08Å; C580-A582 VanDerWaalsContact C-N 3.26Å; C580-A582 PolarHBondContact O-N 2.87Å; C580-N583 PolarHBondContact O-N 2.94Å; C580-N583 PolarHBondContact O-OD1 3.38Å; C580-F584 HydrophobicContact CB-CD2 3.69Å; C580-F584 HydrophobicContact CB-CE2 3.67Å; C580-F584 WeakPolarHBondContact O-CD2 3.33Å; C580-F584 PolarHBondContact O-N 3.21Å
581E96.5Very high96.3Very high63 Ų6344.6 Ų44.629%0.29422%0.222SC..Hα-helixtrans-50.4-46.1178.9171.3164.6-159.600111.9L577 N583 F584 Y585 W611L577-E581 PolarHBondContact O-N 3.34Å; L577-E581 VanDerWaalsContact O-N 3.17Å; E581-N583 PolarHBondContact O-N 3Å; E581-F584 PolarHBondContact O-N 2.94Å; E581-Y585 VanDerWaalsContact O-CB 3.28Å; E581-Y585 WeakPolarHBondContact O-CB 3.31Å; E581-Y585 PolarHBondContact O-N 3.05Å; E581-W611 HydrophobicContact CG-CZ2 4.37Å; E581-W611 PolarHBondContact OE1-NE1 3.03Å
582A95.9Very high96Very high85 Ų8540.2 Ų40.270%0.70221%0.208SC*.Hα-helixtrans-58.7-20.6177.700000114.6C580 P586C580-A582 VanDerWaalsContact C-N 3.26Å; C580-A582 PolarHBondContact O-N 2.87Å; A582-P586 WeakPolarHBondContact O-CD 3.4Å; A582-P586 WeakPolarHBondContact O-CG 3.42Å
583N96.9Very high95.6Very high46 Ų4642.5 Ų42.525%0.24623%0.228CC..Hα-helixtrans-100.5-34178.3-42.385.2000112.1D476 F477 C580 E581 R587 L670D476-N583 PolarHBondContact O-ND2 3.32Å; F477-N583 HydrophobicContact CD2-CB 3.94Å; F477-N583 HydrophobicContact CE2-CB 4.07Å; C580-N583 PolarHBondContact O-N 2.94Å; C580-N583 PolarHBondContact O-OD1 3.38Å; E581-N583 PolarHBondContact O-N 3Å; N583-R587 WeakPolarHBondContact O-CG 3.22Å; N583-L670 HydrophobicContact CB-CD1 3.83Å
584F97.8Very high95Very high0 Ų048.7 Ų48.70%026%0.26CS..Hα-helixtrans-86.6-40-178.3-71.6-60.6000113.6F477 L577 C580 E581 R587 W588 W611 F631 A632 H635 L670F477-F584 HydrophobicContact CE2-CE2 4.06Å; F477-F584 HydrophobicContact CE2-CZ 4.05Å; F477-F584 HydrophobicContact CZ-CE2 4.33Å; F477-F584 AromaticContact CZ-CZ 3.93Å; F477-F584 HydrophobicContact CZ-CZ 3.93Å; L577-F584 HydrophobicContact CD2-CB 4.46Å; L577-F584 HydrophobicContact CD2-CD2 4.11Å; L577-F584 HydrophobicContact CD2-CG 4.28Å; C580-F584 HydrophobicContact CB-CD2 3.69Å; C580-F584 HydrophobicContact CB-CE2 3.67Å; C580-F584 WeakPolarHBondContact O-CD2 3.33Å; C580-F584 PolarHBondContact O-N 3.21Å; E581-F584 PolarHBondContact O-N 2.94Å; F584-R587 WeakPolarHBondContact O-CB 3.27Å; F584-R587 PolarHBondContact O-N 2.89Å; F584-W588 PolarHBondContact O-N 3.48Å; F584-W611 HydrophobicContact CB-CH2 3.73Å; F584-W611 HydrophobicContact CB-CZ2 4.26Å; F584-F631 AromaticContact CD1-CD1 3.82Å; F584-F631 HydrophobicContact CD1-CD1 3.82Å; F584-F631 AromaticContact CD1-CE1 3.89Å; F584-F631 HydrophobicContact CD1-CE1 3.89Å; F584-F631 AromaticContact CE1-CD1 3.88Å; F584-F631 HydrophobicContact CE1-CD1 3.88Å; F584-F631 AromaticContact CE1-CE1 4Å; F584-F631 HydrophobicContact CE1-CE1 4Å; F584-A632 HydrophobicContact CE1-CB 4.09Å; F584-A632 HydrophobicContact CE2-CB 4.31Å; F584-A632 HydrophobicContact CZ-CB 3.93Å; F584-H635 AromaticContact CE1-CE1 3.98Å; F584-H635 AromaticContact CE1-ND1 3.67Å; F584-H635 HydrophobicContact CZ-CB 4.15Å; F584-L670 HydrophobicContact CD1-CD1 3.82Å; F584-L670 HydrophobicContact CE1-CD1 3.66Å; F584-L670 HydrophobicContact CG-CD1 4.49Å; F584-L670 HydrophobicContact CZ-CD1 4.21Å
585Y97.2Very high94.2Very high34 Ų3452.3 Ų52.313%0.13328%0.275CS..Hα-helixtrans-56.9-47.9-179172.3-96.6000112.8E581 R587 W588 R589 E604 C607 W611E581-Y585 VanDerWaalsContact O-CB 3.28Å; E581-Y585 WeakPolarHBondContact O-CB 3.31Å; E581-Y585 PolarHBondContact O-N 3.05Å; Y585-R587 VanDerWaalsContact C-N 3.3Å; Y585-R587 PolarHBondContact O-N 3.19Å; Y585-W588 AromaticContact CD2-CE3 3.88Å; Y585-W588 HydrophobicContact CD2-CE3 3.88Å; Y585-W588 HydrophobicContact CD2-CZ3 4.04Å; Y585-W588 HydrophobicContact CE2-CE3 4.01Å; Y585-W588 AromaticContact CE2-CZ3 3.73Å; Y585-W588 HydrophobicContact CE2-CZ3 3.73Å; Y585-W588 PolarHBondContact O-N 2.86Å; Y585-R589 WeakPolarHBondContact O-CB 3.16Å; Y585-R589 PolarHBondContact O-N 3Å; Y585-E604 PolarHBondContact OH-OE2 3.33Å; Y585-C607 HydrophobicContact CE2-CB 4.5Å; Y585-C607 WeakPolarHBondContact OH-CB 3.37Å; Y585-W611 HydrophobicContact CD2-CB 3.85Å; Y585-W611 AromaticContact CD2-CD1 3.93Å; Y585-W611 AromaticContact CD2-CD2 3.69Å; Y585-W611 HydrophobicContact CD2-CD2 3.69Å; Y585-W611 HydrophobicContact CD2-CE3 4.08Å; Y585-W611 AromaticContact CD2-CG 3.54Å; Y585-W611 HydrophobicContact CD2-CG 3.54Å; Y585-W611 HydrophobicContact CE2-CB 3.95Å; Y585-W611 HydrophobicContact CE2-CG 4.14Å; Y585-W611 HydrophobicContact CG-CD2 4.46Å
586P95.7Very high93.4Very high48 Ų4850.3 Ų50.331%0.31227%0.271SS..Hα-helixtrans-62-38.3178.5-22.734.6000112.6A582 D590A582-P586 WeakPolarHBondContact O-CD 3.4Å; A582-P586 WeakPolarHBondContact O-CG 3.42Å; P586-D590 WeakPolarHBondContact O-CB 3.37Å; P586-D590 PolarHBondContact O-N 2.97Å
587R96.7Very high91.9Very high38 Ų3853.9 Ų53.914%0.14330%0.3CS..Hα-helixtrans-64.6-40.6177.1-67.1-64.4-165.8143.5-9.4111.7N583 F584 Y585 Y591 F631 L670 F807 E812N583-R587 WeakPolarHBondContact O-CG 3.22Å; F584-R587 WeakPolarHBondContact O-CB 3.27Å; F584-R587 PolarHBondContact O-N 2.89Å; Y585-R587 VanDerWaalsContact C-N 3.3Å; Y585-R587 PolarHBondContact O-N 3.19Å; R587-Y591 WeakPolarHBondContact O-CB 3.1Å; R587-Y591 PolarHBondContact O-N 3.15Å; R587-F631 HydrophobicContact CB-CE1 4.21Å; R587-F631 HydrophobicContact CG-CE1 4.32Å; R587-L670 HydrophobicContact CG-CD2 4.45Å; R587-F807 HydrophobicContact CB-CB 4.45Å; R587-F807 PolarHBondContact NH1-O 2.11Å; R587-F807 WeakPolarHBondContact O-CD1 3.38Å; R587-E812 IonicContact CZ-OE1 3.97Å; R587-E812 IonicContact CZ-OE2 2.67Å; R587-E812 IonicContact NH1-OE1 2.82Å; R587-E812 PolarHBondContact NH1-OE1 3.38Å; R587-E812 IonicContact NH1-OE2 2.67Å; R587-E812 PolarHBondContact NH1-OE2 2.98Å; R587-E812 IonicContact NH2-OE1 2.69Å; R587-E812 PolarHBondContact NH2-OE1 3.35Å; R587-E812 IonicContact NH2-OE2 3.19Å; R587-E812 PolarHBondContact NH2-OE2 2.97Å
588W96.8Very high90.2Very high13 Ų1360 Ų605%0.04934%0.341CS..Hα-helixtrans-69-51.3176.417072.9000111.9F584 Y585 D590 Y591 E592 C607 D610 W611 I628 F807F584-W588 PolarHBondContact O-N 3.48Å; Y585-W588 AromaticContact CD2-CE3 3.88Å; Y585-W588 HydrophobicContact CD2-CE3 3.88Å; Y585-W588 HydrophobicContact CD2-CZ3 4.04Å; Y585-W588 HydrophobicContact CE2-CE3 4.01Å; Y585-W588 AromaticContact CE2-CZ3 3.73Å; Y585-W588 HydrophobicContact CE2-CZ3 3.73Å; Y585-W588 PolarHBondContact O-N 2.86Å; W588-D590 PolarHBondContact O-N 3.4Å; W588-Y591 CarbonylContact O-C 3.6Å; W588-Y591 WeakPolarHBondContact O-CA 3.44Å; W588-Y591 WeakPolarHBondContact O-CB 3.48Å; W588-Y591 PolarHBondContact O-N 3.02Å; W588-E592 HydrophobicContact CD2-CG 4.18Å; W588-E592 HydrophobicContact CG-CG 4.48Å; W588-E592 HydrophobicContact CZ2-CG 3.79Å; W588-E592 PolarHBondContact NE1-OE1 2.87Å; W588-E592 VanDerWaalsContact NE1-OE1 3.17Å; W588-E592 PolarHBondContact O-N 3.25Å; W588-C607 HydrophobicContact CH2-CB 4.46Å; W588-C607 WeakPolarHBondContact CH2-O 3.37Å; W588-C607 HydrophobicContact CZ3-CB 4.22Å; W588-C607 WeakPolarHBondContact CZ3-O 3.49Å; W588-D610 HydrophobicContact CH2-CB 3.84Å; W588-D610 HydrophobicContact CZ2-CB 4.1Å; W588-W611 HydrophobicContact CB-CE3 4.27Å; W588-W611 HydrophobicContact CB-CZ3 3.75Å; W588-W611 AromaticContact CD2-CE3 3.7Å; W588-W611 HydrophobicContact CD2-CE3 3.7Å; W588-W611 HydrophobicContact CD2-CZ3 4.06Å; W588-W611 HydrophobicContact CE3-CB 4.42Å; W588-W611 HydrophobicContact CE3-CD2 4.4Å; W588-W611 AromaticContact CE3-CE3 3.58Å; W588-W611 HydrophobicContact CE3-CE3 3.58Å; W588-W611 HydrophobicContact CE3-CZ3 4.24Å; W588-W611 HydrophobicContact CG-CE3 4Å; W588-W611 AromaticContact CG-CZ3 3.84Å; W588-W611 HydrophobicContact CG-CZ3 3.84Å; W588-W611 HydrophobicContact CH2-CB 4.33Å; W588-W611 HydrophobicContact CZ3-CB 3.94Å; W588-W611 HydrophobicContact CZ3-CE3 4.22Å; W588-I628 HydrophobicContact CB-CD1 3.94Å; W588-I628 HydrophobicContact CB-CG1 4.15Å; W588-I628 HydrophobicContact CG-CG1 4.39Å; W588-F807 HydrophobicContact CB-CE1 4.49Å
589R94.5Very high88.7Confident76 Ų7662.9 Ų62.929%0.28736%0.355SS..Hα-helixtrans-57.3-46.1179.5-174.4-153.463.5178.4-5.6112.1Y585 Y591 E592 A593 E604Y585-R589 WeakPolarHBondContact O-CB 3.16Å; Y585-R589 PolarHBondContact O-N 3Å; R589-Y591 PolarHBondContact O-N 2.85Å; R589-E592 PolarHBondContact O-N 2.89Å; R589-A593 WeakPolarHBondContact O-CB 3.45Å; R589-A593 PolarHBondContact O-N 2.69Å; R589-E604 IonicContact NH1-OE1 2.61Å; R589-E604 PolarHBondContact NH1-OE1 2.89Å
590D92.2Very high87.5Confident75 Ų7565.8 Ų65.840%0.40136%0.361SS..Hα-helixtrans-65.3-29.1177.6-68.42000112.1P586 W588 L594P586-D590 WeakPolarHBondContact O-CB 3.37Å; P586-D590 PolarHBondContact O-N 2.97Å; W588-D590 PolarHBondContact O-N 3.4Å; D590-L594 PolarHBondContact O-N 2.94Å
591Y93.3Very high86.5Confident18 Ų1873.1 Ų73.17%0.07140%0.398CS..Hα-helixtrans-73.7-45.7174.5175.7-88.8000112R587 W588 R589 A593 L594 Q595 N661 H806 F807R587-Y591 WeakPolarHBondContact O-CB 3.1Å; R587-Y591 PolarHBondContact O-N 3.15Å; W588-Y591 CarbonylContact O-C 3.6Å; W588-Y591 WeakPolarHBondContact O-CA 3.44Å; W588-Y591 WeakPolarHBondContact O-CB 3.48Å; W588-Y591 PolarHBondContact O-N 3.02Å; R589-Y591 PolarHBondContact O-N 2.85Å; Y591-A593 VanDerWaalsContact C-N 3.3Å; Y591-A593 PolarHBondContact O-N 3.33Å; Y591-L594 WeakPolarHBondContact O-CB 3.23Å; Y591-L594 PolarHBondContact O-N 3.06Å; Y591-L594 VanDerWaalsContact O-N 3.07Å; Y591-Q595 HydrophobicContact CD1-CG 4.14Å; Y591-Q595 HydrophobicContact CE1-CG 3.77Å; Y591-Q595 WeakPolarHBondContact O-CG 3.24Å; Y591-Q595 PolarHBondContact O-N 3.1Å; Y591-N661 PolarHBondContact OH-ND2 3Å; Y591-H806 HydrophobicContact CE2-CB 4.26Å; Y591-H806 AromaticContact CE2-ND1 3.31Å; Y591-H806 VanDerWaalsContact CE2-ND1 3.31Å; Y591-H806 WeakPolarHBondContact CE2-ND1 3.34Å; Y591-H806 AromaticContact CZ-ND1 3.44Å; Y591-H806 PolarHBondContact OH-CE1 2.82Å; Y591-H806 VanDerWaalsContact OH-CE1 3.22Å; Y591-H806 PolarHBondContact OH-ND1 3.18Å; Y591-F807 HydrophobicContact CD1-CD1 4.24Å; Y591-F807 AromaticContact CD1-CE1 3.59Å; Y591-F807 HydrophobicContact CD1-CE1 3.59Å; Y591-F807 HydrophobicContact CD1-CZ 4.05Å; Y591-F807 HydrophobicContact CD2-CD1 4.05Å; Y591-F807 HydrophobicContact CD2-CE1 4.12Å; Y591-F807 HydrophobicContact CD2-CG 4.44Å; Y591-F807 HydrophobicContact CE1-CE1 4.2Å; Y591-F807 HydrophobicContact CE1-CZ 4.2Å; Y591-F807 AromaticContact CG-CD1 3.7Å; Y591-F807 HydrophobicContact CG-CD1 3.7Å; Y591-F807 AromaticContact CG-CE1 3.53Å; Y591-F807 HydrophobicContact CG-CE1 3.53Å; Y591-F807 HydrophobicContact CG-CZ 4.24Å
592E90.4Very high85.5Confident58 Ų5872.1 Ų72.127%0.27140%0.395SS..Hα-helixtrans-60.5-40.1173.8-65.3-51.5141.600111.3W588 R589 L594 Q595 A596 L602W588-E592 HydrophobicContact CD2-CG 4.18Å; W588-E592 HydrophobicContact CG-CG 4.48Å; W588-E592 HydrophobicContact CZ2-CG 3.79Å; W588-E592 PolarHBondContact NE1-OE1 2.87Å; W588-E592 VanDerWaalsContact NE1-OE1 3.17Å; W588-E592 PolarHBondContact O-N 3.25Å; R589-E592 PolarHBondContact O-N 2.89Å; E592-L594 PolarHBondContact O-N 2.8Å; E592-Q595 PolarHBondContact O-N 3.49Å; E592-A596 WeakPolarHBondContact O-CB 3.38Å; E592-A596 PolarHBondContact O-N 3.4Å; E592-L602 HydrophobicContact CB-CD1 4.25Å
593A88.6Confident85.1Confident54 Ų5471.9 Ų71.945%0.44638%0.382SS..Hα-helixtrans-59-31.9174.400000112.8R589 Y591 L602R589-A593 WeakPolarHBondContact O-CB 3.45Å; R589-A593 PolarHBondContact O-N 2.69Å; Y591-A593 VanDerWaalsContact C-N 3.3Å; Y591-A593 PolarHBondContact O-N 3.33Å; A593-L602 HydrophobicContact CB-CD1 3.73Å
594L85.2Confident84.7Confident131 Ų13174.3 Ų74.369%0.68639%0.391SS*.Hα-helixtrans-81.6-26176-174.565.1000113D590 Y591 E592D590-L594 PolarHBondContact O-N 2.94Å; Y591-L594 WeakPolarHBondContact O-CB 3.23Å; Y591-L594 PolarHBondContact O-N 3.06Å; Y591-L594 VanDerWaalsContact O-N 3.07Å; E592-L594 PolarHBondContact O-N 2.8Å
595Q80.6Confident84.4Confident87 Ų8779.7 Ų79.741%0.40742%0.42SS..Hα-helixtrans-81.1-26.9173.6-60.5-42.9-71.600112.6Y591 E592 N661Y591-Q595 HydrophobicContact CD1-CG 4.14Å; Y591-Q595 HydrophobicContact CE1-CG 3.77Å; Y591-Q595 WeakPolarHBondContact O-CG 3.24Å; Y591-Q595 PolarHBondContact O-N 3.1Å; E592-Q595 PolarHBondContact O-N 3.49Å; Q595-N661 PolarHBondContact OE1-ND2 3.29Å
596A78.9Confident84Confident29 Ų2980.7 Ų80.724%0.2443%0.426CS..SBendtrans-58140.3175.300000111.8E592 Y600E592-A596 WeakPolarHBondContact O-CB 3.38Å; E592-A596 PolarHBondContact O-N 3.4Å; A596-Y600 HydrophobicContact CB-CD1 3.92Å
597A67.2Low83.8Confident76 Ų7678.5 Ų78.563%0.62841%0.412SS*.  trans-63.2148.3173.300000110.4H599 Y600A597-H599 PolarHBondContact O-N 2.66Å; A597-Y600 PolarHBondContact O-N 2.89Å
598C60.3Low83.7Confident127 Ų12780 Ų8086%0.85842%0.421SS*.THydrogen-bonded Turntrans-56.7-0.3-169.6-52.60000117.7
599H65Low83.6Confident185 Ų18584.6 Ų84.686%0.85644%0.438SS*.THydrogen-bonded Turntrans-125.18.1179.7-55.4-41.2000113A597A597-H599 PolarHBondContact O-N 2.66Å
600Y71.8Confident83.6Confident137 Ų13783.8 Ų83.854%0.53744%0.439SS..PPolyproline II helixtrans-98.6122.5173.9-172.4-105.8000109.5A596 A597 L602A596-Y600 HydrophobicContact CB-CD1 3.92Å; A597-Y600 PolarHBondContact O-N 2.89Å; Y600-L602 HydrophobicContact CD1-CD2 4.35Å; Y600-L602 HydrophobicContact CD1-CG 4.46Å; Y600-L602 HydrophobicContact CE1-CD2 3.7Å; Y600-L602 HydrophobicContact CE1-CG 4.22Å
601I74.2Confident83.8Confident155 Ų15580.2 Ų80.280%0.79542%0.42SS*.PPolyproline II helixtrans-98.8125.9171.5-58.6176000106.1D603I601-D603 PolarHBondContact O-N 2.82Å
602L77.2Confident84Confident43 Ų4384.3 Ų84.323%0.22544%0.44CS..PPolyproline II helixtrans-68.6126173.7-77.4164.7000109.7E592 A593 Y600E592-L602 HydrophobicContact CB-CD1 4.25Å; A593-L602 HydrophobicContact CB-CD1 3.73Å; Y600-L602 HydrophobicContact CD1-CD2 4.35Å; Y600-L602 HydrophobicContact CD1-CG 4.46Å; Y600-L602 HydrophobicContact CE1-CD2 3.7Å; Y600-L602 HydrophobicContact CE1-CG 4.22Å
603D86.7Confident84.3Confident79 Ų7986.2 Ų86.242%0.42245%0.452SS..PPolyproline II helixtrans-78.4122168171.346.8000108.6I601 D605 Q606 C607 R609I601-D603 PolarHBondContact O-N 2.82Å; D603-D605 VanDerWaalsContact C-N 3.26Å; D603-D605 PolarHBondContact O-N 3.45Å; D603-Q606 HydrophobicContact CB-CB 3.92Å; D603-Q606 WeakPolarHBondContact O-CA 3.31Å; D603-Q606 WeakPolarHBondContact O-CB 3.41Å; D603-Q606 PolarHBondContact O-N 3.24Å; D603-Q606 PolarHBondContact OD2-N 2.92Å; D603-Q606 VanDerWaalsContact OD2-N 3.1Å; D603-C607 PolarHBondContact O-N 2.87Å; D603-R609 IonicContact OD2-NH2 3.64Å
604E88.7Confident84.7Confident97 Ų9784 Ų8445%0.45343%0.433SS..Hα-helixtrans-63.5-33.5-175.6-68-77.7166.500111.4Y585 R589 Q606 C607 Q608Y585-E604 PolarHBondContact OH-OE2 3.33Å; R589-E604 IonicContact NH1-OE1 2.61Å; R589-E604 PolarHBondContact NH1-OE1 2.89Å; E604-Q606 VanDerWaalsContact C-N 3.31Å; E604-Q606 PolarHBondContact O-N 3.43Å; E604-C607 PolarHBondContact O-N 2.91Å; E604-Q608 PolarHBondContact O-N 3.47Å
605D90.6Very high85.2Confident113 Ų11379 Ų7960%0.60441%0.407SS*.Hα-helixtrans-65.2-35174-76.6-11000111.5D603 R609D603-D605 VanDerWaalsContact C-N 3.26Å; D603-D605 PolarHBondContact O-N 3.45Å; D605-R609 WeakPolarHBondContact O-CG 3.17Å; D605-R609 VanDerWaalsContact O-CZ 3.25Å; D605-R609 PolarHBondContact O-N 3.45Å; D605-R609 PolarHBondContact O-NH1 3.37Å
606Q90.2Very high86Confident56 Ų5678.4 Ų78.426%0.26241%0.409SS..Hα-helixtrans-70.6-43.8172.7-176.357.837.800111.6D603 E604 Q608 R609 D610D603-Q606 HydrophobicContact CB-CB 3.92Å; D603-Q606 WeakPolarHBondContact O-CA 3.31Å; D603-Q606 WeakPolarHBondContact O-CB 3.41Å; D603-Q606 PolarHBondContact O-N 3.24Å; D603-Q606 PolarHBondContact OD2-N 2.92Å; D603-Q606 VanDerWaalsContact OD2-N 3.1Å; E604-Q606 VanDerWaalsContact C-N 3.31Å; E604-Q606 PolarHBondContact O-N 3.43Å; Q606-Q608 VanDerWaalsContact C-N 3.28Å; Q606-Q608 PolarHBondContact O-N 2.7Å; Q606-R609 VanDerWaalsContact CA-NH2 3.29Å; Q606-R609 PolarHBondContact O-N 2.68Å; Q606-R609 VanDerWaalsContact OE1-NE 3.14Å; Q606-D610 PolarHBondContact NE2-OD1 2.83Å; Q606-D610 PolarHBondContact NE2-OD2 3.42Å; Q606-D610 PolarHBondContact O-N 2.79Å
607C91.5Very high86.8Confident1 Ų178 Ų781%0.00741%0.406CS..Hα-helixtrans-56.9-40.9174.5-74.70000112.3Y585 W588 D603 E604 D610 W611Y585-C607 HydrophobicContact CE2-CB 4.5Å; Y585-C607 WeakPolarHBondContact OH-CB 3.37Å; W588-C607 HydrophobicContact CH2-CB 4.46Å; W588-C607 WeakPolarHBondContact CH2-O 3.37Å; W588-C607 HydrophobicContact CZ3-CB 4.22Å; W588-C607 WeakPolarHBondContact CZ3-O 3.49Å; D603-C607 PolarHBondContact O-N 2.87Å; E604-C607 PolarHBondContact O-N 2.91Å; C607-D610 PolarHBondContact O-N 3Å; C607-W611 VanDerWaalsContact O-CB 3.32Å; C607-W611 WeakPolarHBondContact O-CB 3.45Å; C607-W611 PolarHBondContact O-N 2.91Å
608Q94.3Very high88.2Confident71 Ų7174.4 Ų74.433%0.33238%0.376SS..Hα-helixtrans-65.2-42.7177.4-169.761.834.400111.9E604 Q606 W611 E612E604-Q608 PolarHBondContact O-N 3.47Å; Q606-Q608 VanDerWaalsContact C-N 3.28Å; Q606-Q608 PolarHBondContact O-N 2.7Å; Q608-W611 PolarHBondContact O-N 2.68Å; Q608-E612 WeakPolarHBondContact O-CG 3.47Å; Q608-E612 PolarHBondContact O-N 3.23Å
609R94.7Very high89.8Confident108 Ų10871.6 Ų71.641%0.40836%0.357SS..Hα-helixtrans-62.7-42.5175.1-71.8-175.8-65.2-87.65.1112.5D603 D605 Q606 W611 E612 N613D603-R609 IonicContact OD2-NH2 3.64Å; D605-R609 WeakPolarHBondContact O-CG 3.17Å; D605-R609 VanDerWaalsContact O-CZ 3.25Å; D605-R609 PolarHBondContact O-N 3.45Å; D605-R609 PolarHBondContact O-NH1 3.37Å; Q606-R609 VanDerWaalsContact CA-NH2 3.29Å; Q606-R609 PolarHBondContact O-N 2.68Å; Q606-R609 VanDerWaalsContact OE1-NE 3.14Å; R609-W611 VanDerWaalsContact C-N 3.32Å; R609-E612 PolarHBondContact O-N 3.4Å; R609-N613 PolarHBondContact O-N 3.05Å; R609-N613 VanDerWaalsContact O-N 3.11Å; R609-N613 PolarHBondContact O-ND2 3.46Å
610D94.4Very high91Very high59 Ų5967.8 Ų67.832%0.31634%0.34SS..Hα-helixtrans-69.8-32.7179.2-69.9-27.8000111.6W588 Q606 C607 N613 V614W588-D610 HydrophobicContact CH2-CB 3.84Å; W588-D610 HydrophobicContact CZ2-CB 4.1Å; Q606-D610 PolarHBondContact NE2-OD1 2.83Å; Q606-D610 PolarHBondContact NE2-OD2 3.42Å; Q606-D610 PolarHBondContact O-N 2.79Å; C607-D610 PolarHBondContact O-N 3Å; D610-N613 WeakPolarHBondContact O-CB 3.4Å; D610-N613 PolarHBondContact O-N 3.32Å; D610-V614 PolarHBondContact O-N 3.23Å
611W96.8Very high91.6Very high0 Ų064.5 Ų64.50%034%0.335CS..Hα-helixtrans-65.9-40.8170.2-176.3-110000113.2L577 E581 F584 Y585 W588 C607 Q608 R609 N613 V614 L615 I628L577-W611 HydrophobicContact CD2-CH2 4.23Å; E581-W611 HydrophobicContact CG-CZ2 4.37Å; E581-W611 PolarHBondContact OE1-NE1 3.03Å; F584-W611 HydrophobicContact CB-CH2 3.73Å; F584-W611 HydrophobicContact CB-CZ2 4.26Å; Y585-W611 HydrophobicContact CD2-CB 3.85Å; Y585-W611 AromaticContact CD2-CD1 3.93Å; Y585-W611 AromaticContact CD2-CD2 3.69Å; Y585-W611 HydrophobicContact CD2-CD2 3.69Å; Y585-W611 HydrophobicContact CD2-CE3 4.08Å; Y585-W611 AromaticContact CD2-CG 3.54Å; Y585-W611 HydrophobicContact CD2-CG 3.54Å; Y585-W611 HydrophobicContact CE2-CB 3.95Å; Y585-W611 HydrophobicContact CE2-CG 4.14Å; Y585-W611 HydrophobicContact CG-CD2 4.46Å; W588-W611 HydrophobicContact CB-CE3 4.27Å; W588-W611 HydrophobicContact CB-CZ3 3.75Å; W588-W611 AromaticContact CD2-CE3 3.7Å; W588-W611 HydrophobicContact CD2-CE3 3.7Å; W588-W611 HydrophobicContact CD2-CZ3 4.06Å; W588-W611 HydrophobicContact CE3-CB 4.42Å; W588-W611 HydrophobicContact CE3-CD2 4.4Å; W588-W611 AromaticContact CE3-CE3 3.58Å; W588-W611 HydrophobicContact CE3-CE3 3.58Å; W588-W611 HydrophobicContact CE3-CZ3 4.24Å; W588-W611 HydrophobicContact CG-CE3 4Å; W588-W611 AromaticContact CG-CZ3 3.84Å; W588-W611 HydrophobicContact CG-CZ3 3.84Å; W588-W611 HydrophobicContact CH2-CB 4.33Å; W588-W611 HydrophobicContact CZ3-CB 3.94Å; W588-W611 HydrophobicContact CZ3-CE3 4.22Å; C607-W611 VanDerWaalsContact O-CB 3.32Å; C607-W611 WeakPolarHBondContact O-CB 3.45Å; C607-W611 PolarHBondContact O-N 2.91Å; Q608-W611 PolarHBondContact O-N 2.68Å; R609-W611 VanDerWaalsContact C-N 3.32Å; W611-N613 PolarHBondContact O-N 2.92Å; W611-V614 HydrophobicContact CE3-CB 4.35Å; W611-V614 HydrophobicContact CE3-CG1 4.23Å; W611-V614 HydrophobicContact CZ3-CG1 4.12Å; W611-V614 WeakPolarHBondContact O-CB 3.3Å; W611-V614 PolarHBondContact O-N 2.95Å; W611-V614 VanDerWaalsContact O-N 3.11Å; W611-L615 HydrophobicContact CZ2-CD2 4.12Å; W611-L615 WeakPolarHBondContact O-CG 2.83Å; W611-L615 PolarHBondContact O-N 2.96Å; W611-I628 HydrophobicContact CH2-CG1 4.35Å; W611-I628 HydrophobicContact CZ3-CG1 3.99Å
612E96.6Very high92.2Very high104 Ų10464 Ų6449%0.48632%0.323SS..Hα-helixtrans-60.3-34.8172.5-73.5172.8-17000112.2Q608 R609 T616Q608-E612 WeakPolarHBondContact O-CG 3.47Å; Q608-E612 PolarHBondContact O-N 3.23Å; R609-E612 PolarHBondContact O-N 3.4Å; E612-T616 WeakPolarHBondContact O-CB 3.44Å; E612-T616 PolarHBondContact O-N 3.15Å; E612-T616 PolarHBondContact O-OG1 3.12Å
613N96.5Very high92.8Very high99 Ų9967.1 Ų67.153%0.52934%0.336SS..Hα-helixtrans-65.3-43.5172.1-66.6-40.3000111.8R609 D610 W611 T616 A617R609-N613 PolarHBondContact O-N 3.05Å; R609-N613 VanDerWaalsContact O-N 3.11Å; R609-N613 PolarHBondContact O-ND2 3.46Å; D610-N613 WeakPolarHBondContact O-CB 3.4Å; D610-N613 PolarHBondContact O-N 3.32Å; W611-N613 PolarHBondContact O-N 2.92Å; N613-T616 PolarHBondContact O-N 3.5Å; N613-A617 PolarHBondContact O-N 3.27Å
614V96.6Very high93Very high6 Ų667.1 Ų67.14%0.03635%0.347CS..Hα-helixtrans-57.3-50.2174166.50000111D610 W611 T616 A617 A618 I628 H629D610-V614 PolarHBondContact O-N 3.23Å; W611-V614 HydrophobicContact CE3-CB 4.35Å; W611-V614 HydrophobicContact CE3-CG1 4.23Å; W611-V614 HydrophobicContact CZ3-CG1 4.12Å; W611-V614 WeakPolarHBondContact O-CB 3.3Å; W611-V614 PolarHBondContact O-N 2.95Å; W611-V614 VanDerWaalsContact O-N 3.11Å; V614-T616 VanDerWaalsContact C-N 3.3Å; V614-T616 PolarHBondContact O-N 2.89Å; V614-A617 PolarHBondContact O-N 2.91Å; V614-A618 PolarHBondContact O-N 3.08Å; V614-I628 HydrophobicContact CG1-CG2 3.64Å; V614-I628 HydrophobicContact CG2-CG2 4.19Å; V614-H629 PolarHBondContact O-NE2 2.77Å
615L97.3Very high93.2Very high27 Ų2763.1 Ų63.114%0.14133%0.329CS..Hα-helixtrans-60.5-39.8177.4-65.5179.9000112.1L577 W611 A618 C619L577-L615 HydrophobicContact CB-CD2 3.95Å; W611-L615 HydrophobicContact CZ2-CD2 4.12Å; W611-L615 WeakPolarHBondContact O-CG 2.83Å; W611-L615 PolarHBondContact O-N 2.96Å; L615-A618 PolarHBondContact O-N 3.35Å; L615-C619 PolarHBondContact O-N 2.9Å; L615-C619 PolarHBondContact O-SG 3.38Å
616T96.7Very high93.4Very high74 Ų7462.2 Ų62.245%0.45432%0.321SS..Hα-helixtrans-65.8-43.9179-61.10000111.9E612 N613 V614 A618 C619 Q620E612-T616 WeakPolarHBondContact O-CB 3.44Å; E612-T616 PolarHBondContact O-N 3.15Å; E612-T616 PolarHBondContact O-OG1 3.12Å; N613-T616 PolarHBondContact O-N 3.5Å; V614-T616 VanDerWaalsContact C-N 3.3Å; V614-T616 PolarHBondContact O-N 2.89Å; T616-A618 VanDerWaalsContact C-N 3.34Å; T616-A618 PolarHBondContact O-N 3.31Å; T616-C619 WeakPolarHBondContact O-CB 3.47Å; T616-C619 PolarHBondContact O-N 3.46Å; T616-Q620 HydrophobicContact CG2-CG 4.11Å; T616-Q620 WeakPolarHBondContact O-CG 3.44Å; T616-Q620 PolarHBondContact O-N 3.44Å
617A95.6Very high93.7Very high20 Ų2060.7 Ų60.717%0.16531%0.314CS..Hα-helixtrans-60.2-42.7177.300000112.1R570 N613 V614 C619 Q620 E623R570-A617 PolarHBondContact NH1-O 3.27Å; R570-A617 PolarHBondContact NH2-O 2.99Å; N613-A617 PolarHBondContact O-N 3.27Å; V614-A617 PolarHBondContact O-N 2.91Å; A617-C619 PolarHBondContact O-N 3.01Å; A617-Q620 PolarHBondContact O-N 3.26Å; A617-E623 HydrophobicContact CB-CB 4.37Å
618A95.8Very high94Very high1 Ų160.8 Ų60.81%0.00831%0.314CS..Hα-helixtrans-60.2-31.8174.400000113R570 A574 L577 V614 L615 T616R570-A618 PolarHBondContact NH1-O 3.23Å; A574-A618 HydrophobicContact CB-CB 4.12Å; A574-A618 WeakPolarHBondContact CB-O 3.49Å; L577-A618 HydrophobicContact CD1-CB 3.75Å; V614-A618 PolarHBondContact O-N 3.08Å; L615-A618 PolarHBondContact O-N 3.35Å; T616-A618 VanDerWaalsContact C-N 3.34Å; T616-A618 PolarHBondContact O-N 3.31Å
619C94.2Very high94.2Very high68 Ų6857.4 Ų57.446%0.45930%0.299SS..Hα-helixtrans-80.9-41.4179.3-66.50000113.7R570 L615 T616 A617 P621R570-C619 VanDerWaalsContact NH1-C 3.26Å; R570-C619 PolarHBondContact NH1-O 3.43Å; L615-C619 PolarHBondContact O-N 2.9Å; L615-C619 PolarHBondContact O-SG 3.38Å; T616-C619 WeakPolarHBondContact O-CB 3.47Å; T616-C619 PolarHBondContact O-N 3.46Å; A617-C619 PolarHBondContact O-N 3.01Å; C619-P621 WeakPolarHBondContact O-CD 3.49Å
620Q89.7Confident94.4Very high106 Ų10652.3 Ų52.350%0.49528%0.279SS..SBendtrans-84.7110.3-169.6-67.7-62.1-1300113.7R570 T616 A617 R622 E623R570-Q620 PolarHBondContact NH1-O 3.29Å; R570-Q620 PolarHBondContact NH2-O 3.47Å; T616-Q620 HydrophobicContact CG2-CG 4.11Å; T616-Q620 WeakPolarHBondContact O-CG 3.44Å; T616-Q620 PolarHBondContact O-N 3.44Å; A617-Q620 PolarHBondContact O-N 3.26Å; Q620-R622 PolarHBondContact O-N 3.07Å; Q620-E623 HydrophobicContact CB-CB 4.42Å; Q620-E623 HydrophobicContact CB-CG 3.64Å; Q620-E623 WeakPolarHBondContact O-CB 3.27Å; Q620-E623 PolarHBondContact O-N 2.73Å
621P86.2Confident94.6Very high67 Ų6749.5 Ų49.544%0.43526%0.264SS..THydrogen-bonded Turntrans-53.1140.3-175.4-2736000113.3C619 E623C619-P621 WeakPolarHBondContact O-CD 3.49Å; P621-E623 VanDerWaalsContact C-N 3.25Å; P621-E623 PolarHBondContact O-N 3.29Å
622R85Confident94.7Very high146 Ų14649.5 Ų49.555%0.55126%0.264SS*.THydrogen-bonded Turntrans73.6-8.1-176.8-47.3178.4176.3166.61.2117A547 G548 D549 Q620A547-R622 WeakPolarHBondContact O-CB 3.39Å; A547-R622 VanDerWaalsContact O-CD 3.22Å; A547-R622 WeakPolarHBondContact O-CD 3.42Å; A547-R622 WeakPolarHBondContact O-CG 3.31Å; G548-R622 VanDerWaalsContact CA-O 3.31Å; G548-R622 WeakPolarHBondContact CA-O 3.38Å; D549-R622 WeakPolarHBondContact OD1-CA 3.4Å; D549-R622 PolarHBondContact OD1-N 2.79Å; D549-R622 PolarHBondContact OD2-N 2.81Å; Q620-R622 PolarHBondContact O-N 3.07Å
623E90.3Very high94.8Very high107 Ų10744.5 Ų44.550%0.524%0.241SC..  trans-60.6151.8172.5-74.8-55.9150.600112.3R570 A617 Q620 P621R570-E623 PolarHBondContact NH2-O 3.44Å; A617-E623 HydrophobicContact CB-CB 4.37Å; Q620-E623 HydrophobicContact CB-CB 4.42Å; Q620-E623 HydrophobicContact CB-CG 3.64Å; Q620-E623 WeakPolarHBondContact O-CB 3.27Å; Q620-E623 PolarHBondContact O-N 2.73Å; P621-E623 VanDerWaalsContact C-N 3.25Å; P621-E623 PolarHBondContact O-N 3.29Å
624A90.4Very high94.9Very high79 Ų7939.8 Ų39.865%0.65322%0.216SC*.  trans-67.5143.4177.500000110.7
625L94.8Very high94.9Very high13 Ų1339.5 Ų39.57%0.06821%0.214CC..  trans-120.1133.6-178-59.6-179.9000110.8L551 L552 L573 H629L551-L625 HydrophobicContact CB-CD1 4.48Å; L551-L625 HydrophobicContact CD2-CB 3.76Å; L551-L625 HydrophobicContact CD2-CD1 4.02Å; L552-L625 HydrophobicContact CD1-CD1 4.15Å; L552-L625 HydrophobicContact CD2-CD1 4.25Å; L552-L625 HydrophobicContact CG-CD1 4.05Å; L573-L625 HydrophobicContact CD2-CD1 4.1Å; L625-H629 HydrophobicContact CB-CB 4Å
626E94.3Very high95Very high94 Ų9438.2 Ų38.244%0.43921%0.208SC..  trans-98.6179.5-172.6-63.2177.5-176.900113.6I628 H629 I630E626-I628 VanDerWaalsContact C-N 3.26Å; E626-I628 PolarHBondContact O-N 3.19Å; E626-H629 PolarHBondContact N-ND1 3.17Å; E626-H629 VanDerWaalsContact O-CB 3.27Å; E626-H629 WeakPolarHBondContact O-CB 3.46Å; E626-H629 PolarHBondContact O-N 2.92Å; E626-H629 PolarHBondContact O-ND1 3.48Å; E626-I630 PolarHBondContact O-N 2.84Å
627Q96.4Very high95Very high25 Ų2535 Ų3512%0.11719%0.187CC..Hα-helixtrans-55.5-39.2-173.8-66.178.7-3.300112.2H629 I630 F631 A660 F662 Y666 F807Q627-H629 VanDerWaalsContact C-N 3.27Å; Q627-H629 PolarHBondContact O-N 3.4Å; Q627-I630 WeakPolarHBondContact O-CB 3.4Å; Q627-I630 PolarHBondContact O-N 2.89Å; Q627-I630 VanDerWaalsContact O-N 3.08Å; Q627-F631 PolarHBondContact O-N 3.17Å; Q627-F631 VanDerWaalsContact O-N 3.07Å; Q627-A660 PolarHBondContact NE2-O 3.28Å; Q627-F662 HydrophobicContact CG-CD1 3.75Å; Q627-F662 HydrophobicContact CG-CE1 3.92Å; Q627-F662 HydrophobicContact CG-CG 4.37Å; Q627-Y666 HydrophobicContact CB-CE1 4.14Å; Q627-Y666 WeakPolarHBondContact O-CE1 3.45Å; Q627-F807 HydrophobicContact CB-CE2 4.05Å; Q627-F807 HydrophobicContact CB-CZ 3.91Å; Q627-F807 WeakPolarHBondContact O-CE2 3.37Å
628I97.8Very high95.2Very high2 Ų235.5 Ų35.51%0.0119%0.185CC..Hα-helixtrans-63.4-32.3178.2-175.557.5000112.7W588 W611 V614 E626 I630 F631 A632 F807W588-I628 HydrophobicContact CB-CD1 3.94Å; W588-I628 HydrophobicContact CB-CG1 4.15Å; W588-I628 HydrophobicContact CG-CG1 4.39Å; W611-I628 HydrophobicContact CH2-CG1 4.35Å; W611-I628 HydrophobicContact CZ3-CG1 3.99Å; V614-I628 HydrophobicContact CG1-CG2 3.64Å; V614-I628 HydrophobicContact CG2-CG2 4.19Å; E626-I628 VanDerWaalsContact C-N 3.26Å; E626-I628 PolarHBondContact O-N 3.19Å; I628-I630 VanDerWaalsContact C-N 3.32Å; I628-I630 PolarHBondContact O-N 3.06Å; I628-F631 HydrophobicContact CD1-CB 4.37Å; I628-F631 HydrophobicContact CD1-CD1 3.99Å; I628-F631 WeakPolarHBondContact O-CB 3.39Å; I628-F631 PolarHBondContact O-N 2.97Å; I628-A632 PolarHBondContact O-N 3.27Å; I628-F807 HydrophobicContact CB-CE1 4.25Å; I628-F807 HydrophobicContact CB-CZ 3.88Å; I628-F807 HydrophobicContact CD1-CD1 4.25Å; I628-F807 HydrophobicContact CD1-CE1 3.99Å; I628-F807 HydrophobicContact CD1-CZ 4.17Å
629H98.2Very high95.3Very high1 Ų135.7 Ų35.71%0.00519%0.186CC..Hα-helixtrans-67.5-34.9174.2-58.689.8000111.4L551 L573 V614 L625 E626 Q627 L633L551-H629 HydrophobicContact CD2-CB 4.43Å; L573-H629 HydrophobicContact CD2-CB 4.2Å; V614-H629 PolarHBondContact O-NE2 2.77Å; L625-H629 HydrophobicContact CB-CB 4Å; E626-H629 PolarHBondContact N-ND1 3.17Å; E626-H629 VanDerWaalsContact O-CB 3.27Å; E626-H629 WeakPolarHBondContact O-CB 3.46Å; E626-H629 PolarHBondContact O-N 2.92Å; E626-H629 PolarHBondContact O-ND1 3.48Å; Q627-H629 VanDerWaalsContact C-N 3.27Å; Q627-H629 PolarHBondContact O-N 3.4Å; H629-L633 WeakPolarHBondContact O-CB 3.47Å; H629-L633 WeakPolarHBondContact O-CG 3.28Å; H629-L633 PolarHBondContact O-N 2.93Å
630I98.5Very high95.5Very high0 Ų032.5 Ų32.50%016%0.164CC..Hα-helixtrans-67.6-40.1173.7-48.3179.4000110.4L551 E626 Q627 I628 L633 S634 I641 V643 F662 Y666 F690L551-I630 HydrophobicContact CD1-CD1 4.41Å; L551-I630 HydrophobicContact CD1-CG1 4.06Å; L551-I630 HydrophobicContact CD2-CG1 3.9Å; E626-I630 PolarHBondContact O-N 2.84Å; Q627-I630 WeakPolarHBondContact O-CB 3.4Å; Q627-I630 PolarHBondContact O-N 2.89Å; Q627-I630 VanDerWaalsContact O-N 3.08Å; I628-I630 VanDerWaalsContact C-N 3.32Å; I628-I630 PolarHBondContact O-N 3.06Å; I630-L633 PolarHBondContact O-N 3Å; I630-S634 PolarHBondContact O-N 3.44Å; I630-I641 HydrophobicContact CG2-CB 4.2Å; I630-I641 HydrophobicContact CG2-CD1 4Å; I630-I641 HydrophobicContact CG2-CG2 4Å; I630-V643 HydrophobicContact CD1-CG2 4.29Å; I630-V643 HydrophobicContact CG2-CG2 4.39Å; I630-F662 HydrophobicContact CD1-CD1 3.73Å; I630-F662 HydrophobicContact CD1-CE1 4.2Å; I630-Y666 HydrophobicContact CB-CD1 3.88Å; I630-Y666 HydrophobicContact CB-CD2 4.38Å; I630-Y666 HydrophobicContact CB-CE1 3.87Å; I630-Y666 HydrophobicContact CB-CE2 4.38Å; I630-Y666 HydrophobicContact CB-CG 4.15Å; I630-Y666 HydrophobicContact CD1-CE1 4.46Å; I630-Y666 HydrophobicContact CD1-CE2 4.22Å; I630-Y666 HydrophobicContact CG2-CD1 3.9Å; I630-Y666 HydrophobicContact CG2-CD2 3.61Å; I630-Y666 HydrophobicContact CG2-CE1 4.17Å; I630-Y666 HydrophobicContact CG2-CE2 3.91Å; I630-Y666 HydrophobicContact CG2-CG 3.62Å; I630-F690 HydrophobicContact CD1-CE1 3.69Å; I630-F690 HydrophobicContact CD1-CZ 3.75Å
631F98.6Very high95.9Very high0 Ų027.4 Ų27.40%014%0.14CC..Hα-helixtrans-62-48.7174.3-174.6-113.8000111.7F584 R587 Q627 I628 L633 S634 H635 Y666 L667 L669 L670 F807F584-F631 AromaticContact CD1-CD1 3.82Å; F584-F631 HydrophobicContact CD1-CD1 3.82Å; F584-F631 AromaticContact CD1-CE1 3.89Å; F584-F631 HydrophobicContact CD1-CE1 3.89Å; F584-F631 AromaticContact CE1-CD1 3.88Å; F584-F631 HydrophobicContact CE1-CD1 3.88Å; F584-F631 AromaticContact CE1-CE1 4Å; F584-F631 HydrophobicContact CE1-CE1 4Å; R587-F631 HydrophobicContact CB-CE1 4.21Å; R587-F631 HydrophobicContact CG-CE1 4.32Å; Q627-F631 PolarHBondContact O-N 3.17Å; Q627-F631 VanDerWaalsContact O-N 3.07Å; I628-F631 HydrophobicContact CD1-CB 4.37Å; I628-F631 HydrophobicContact CD1-CD1 3.99Å; I628-F631 WeakPolarHBondContact O-CB 3.39Å; I628-F631 PolarHBondContact O-N 2.97Å; F631-L633 PolarHBondContact O-N 3.48Å; F631-S634 WeakPolarHBondContact O-CB 3.25Å; F631-S634 PolarHBondContact O-N 2.89Å; F631-S634 VanDerWaalsContact O-N 3.15Å; F631-S634 PolarHBondContact O-OG 3.48Å; F631-H635 AromaticContact CD1-CE1 3.95Å; F631-H635 AromaticContact CE1-CE1 3.61Å; F631-H635 AromaticContact CE2-CE1 3.68Å; F631-H635 AromaticContact CZ-CE1 3.48Å; F631-H635 VanDerWaalsContact CZ-CE1 3.48Å; F631-H635 WeakPolarHBondContact CZ-CE1 3.38Å; F631-H635 PolarHBondContact O-N 3.07Å; F631-H635 PolarHBondContact O-ND1 3.37Å; F631-Y666 HydrophobicContact CB-CD1 4.18Å; F631-L667 WeakPolarHBondContact CE2-O 3.34Å; F631-L669 HydrophobicContact CE2-CD1 4.25Å; F631-L669 HydrophobicContact CE2-CG 4.36Å; F631-L669 HydrophobicContact CZ-CB 4.42Å; F631-L670 HydrophobicContact CE1-CD1 4.47Å; F631-F807 HydrophobicContact CB-CD2 3.42Å; F631-F807 VanDerWaalsContact CB-CD2 3.42Å; F631-F807 HydrophobicContact CB-CE2 3.68Å; F631-F807 HydrophobicContact CB-CG 4.23Å; F631-F807 HydrophobicContact CD1-CB 4.09Å; F631-F807 HydrophobicContact CD1-CD2 4.13Å; F631-F807 HydrophobicContact CD1-CG 4.09Å; F631-F807 HydrophobicContact CD2-CB 3.81Å; F631-F807 AromaticContact CD2-CD2 3.71Å; F631-F807 HydrophobicContact CD2-CD2 3.71Å; F631-F807 HydrophobicContact CD2-CG 4.1Å; F631-F807 HydrophobicContact CE1-CB 3.96Å; F631-F807 HydrophobicContact CE1-CG 4.43Å; F631-F807 HydrophobicContact CE2-CB 3.67Å; F631-F807 HydrophobicContact CE2-CD2 4.45Å; F631-F807 HydrophobicContact CE2-CG 4.44Å; F631-F807 HydrophobicContact CG-CB 4Å; F631-F807 AromaticContact CG-CD2 3.5Å; F631-F807 HydrophobicContact CG-CD2 3.5Å; F631-F807 HydrophobicContact CG-CE2 4.25Å; F631-F807 AromaticContact CG-CG 3.9Å; F631-F807 HydrophobicContact CG-CG 3.9Å; F631-F807 HydrophobicContact CZ-CB 3.74Å
632A98.5Very high96.5Very high0 Ų024.2 Ų24.20%012%0.119CC..Hα-helixtrans-62-41.3174.900000112.4L573 L577 F584 I628 S634 H635 V636L573-A632 HydrophobicContact CD1-CB 3.61Å; L577-A632 HydrophobicContact CD1-CB 4.39Å; L577-A632 HydrophobicContact CD2-CB 3.63Å; L577-A632 HydrophobicContact CG-CB 3.83Å; F584-A632 HydrophobicContact CE1-CB 4.09Å; F584-A632 HydrophobicContact CE2-CB 4.31Å; F584-A632 HydrophobicContact CZ-CB 3.93Å; I628-A632 PolarHBondContact O-N 3.27Å; A632-S634 VanDerWaalsContact C-N 3.28Å; A632-S634 PolarHBondContact O-N 3.25Å; A632-H635 WeakPolarHBondContact O-CA 3.16Å; A632-H635 WeakPolarHBondContact O-CB 3.45Å; A632-H635 PolarHBondContact O-N 3.46Å; A632-V636 WeakPolarHBondContact O-CG2 3.21Å; A632-V636 PolarHBondContact O-N 2.98Å
633L98.5Very high97.1Very high0 Ų017.3 Ų17.30%09%0.093CC..Hα-helixtrans-58.4-37.4172.7-77.5170.9000112.7L551 L552 V555 L569 L573 H629 I630 F631 H635 V636 L637 I641L551-L633 HydrophobicContact CD1-CD1 4.38Å; L551-L633 HydrophobicContact CD2-CD1 3.77Å; L551-L633 HydrophobicContact CG-CD1 3.84Å; L552-L633 HydrophobicContact CD2-CD1 3.93Å; L552-L633 HydrophobicContact CD2-CD2 3.92Å; L552-L633 HydrophobicContact CD2-CG 4.49Å; V555-L633 HydrophobicContact CG2-CD1 4.45Å; L569-L633 HydrophobicContact CD1-CD2 3.8Å; L569-L633 HydrophobicContact CD2-CD2 4.01Å; L569-L633 HydrophobicContact CG-CD2 3.79Å; L573-L633 HydrophobicContact CB-CD2 4.1Å; L573-L633 HydrophobicContact CD1-CD2 4.23Å; L573-L633 HydrophobicContact CD1-CG 3.98Å; L573-L633 HydrophobicContact CD2-CD1 4.3Å; L573-L633 HydrophobicContact CD2-CD2 4.12Å; L573-L633 HydrophobicContact CD2-CG 4.03Å; L573-L633 HydrophobicContact CG-CD2 4.38Å; L573-L633 HydrophobicContact CG-CG 4.46Å; H629-L633 WeakPolarHBondContact O-CB 3.47Å; H629-L633 WeakPolarHBondContact O-CG 3.28Å; H629-L633 PolarHBondContact O-N 2.93Å; I630-L633 PolarHBondContact O-N 3Å; F631-L633 PolarHBondContact O-N 3.48Å; L633-H635 PolarHBondContact O-N 3.02Å; L633-V636 PolarHBondContact O-N 3.21Å; L633-L637 WeakPolarHBondContact O-CB 3.36Å; L633-L637 WeakPolarHBondContact O-CD1 3.44Å; L633-L637 VanDerWaalsContact O-CG 3.22Å; L633-L637 WeakPolarHBondContact O-CG 3.37Å; L633-L637 PolarHBondContact O-N 3Å; L633-I641 HydrophobicContact CB-CD1 4.03Å
634S98.5Very high97.5Very high0 Ų012.3 Ų12.30%07%0.07CC..Hα-helixtrans-61.1-33.4175.580.90000112.2I630 F631 A632 R638 R639 L667I630-S634 PolarHBondContact O-N 3.44Å; F631-S634 WeakPolarHBondContact O-CB 3.25Å; F631-S634 PolarHBondContact O-N 2.89Å; F631-S634 VanDerWaalsContact O-N 3.15Å; F631-S634 PolarHBondContact O-OG 3.48Å; A632-S634 VanDerWaalsContact C-N 3.28Å; A632-S634 PolarHBondContact O-N 3.25Å; S634-R638 WeakPolarHBondContact O-CA 3.41Å; S634-R638 PolarHBondContact O-N 3.48Å; S634-R639 WeakPolarHBondContact CA-O 3.41Å; S634-R639 WeakPolarHBondContact CB-O 3.46Å; S634-R639 PolarHBondContact O-N 3.39Å; S634-L667 PolarHBondContact OG-O 2.96Å
635H98.2Very high97.8Very high0 Ų08.6 Ų8.60%04%0.039CC..Hα-helixtrans-75.5-43.6174.8-64.480.3000112.3F477 F584 F631 A632 L633 L637 R638 P668 L669 L670 W671F477-H635 AromaticContact CE1-CD2 3.98Å; F477-H635 HydrophobicContact CZ-CB 4.19Å; F477-H635 AromaticContact CZ-CD2 3.75Å; F584-H635 AromaticContact CE1-CE1 3.98Å; F584-H635 AromaticContact CE1-ND1 3.67Å; F584-H635 HydrophobicContact CZ-CB 4.15Å; F631-H635 AromaticContact CD1-CE1 3.95Å; F631-H635 AromaticContact CE1-CE1 3.61Å; F631-H635 AromaticContact CE2-CE1 3.68Å; F631-H635 AromaticContact CZ-CE1 3.48Å; F631-H635 VanDerWaalsContact CZ-CE1 3.48Å; F631-H635 WeakPolarHBondContact CZ-CE1 3.38Å; F631-H635 PolarHBondContact O-N 3.07Å; F631-H635 PolarHBondContact O-ND1 3.37Å; A632-H635 WeakPolarHBondContact O-CA 3.16Å; A632-H635 WeakPolarHBondContact O-CB 3.45Å; A632-H635 PolarHBondContact O-N 3.46Å; L633-H635 PolarHBondContact O-N 3.02Å; H635-L637 PolarHBondContact O-N 3.08Å; H635-R638 WeakPolarHBondContact O-CG 3.26Å; H635-R638 PolarHBondContact O-N 3.44Å; H635-P668 WeakPolarHBondContact NE2-CA 3.48Å; H635-L669 PolarHBondContact NE2-N 3.26Å; H635-L669 VanDerWaalsContact NE2-N 3.18Å; H635-L670 WeakPolarHBondContact NE2-CB 3.37Å; H635-L670 WeakPolarHBondContact NE2-CG 3.43Å; H635-L670 PolarHBondContact NE2-N 3.28Å; H635-W671 AromaticContact CD2-CD1 3.72Å; H635-W671 PolarHBondContact O-NE1 3.12Å
636V98.2Very high97.6Very high0 Ų08.5 Ų8.50%04%0.039CC..Hα-helixtrans-57.9-35.7174.6171.30000111.3A480 Y481 F482 L569 T572 A632 L633A480-V636 WeakPolarHBondContact O-CA 3.24Å; Y481-V636 CarbonylContact C-O 3.5Å; Y481-V636 WeakPolarHBondContact CA-O 3.29Å; F482-V636 HydrophobicContact CD2-CG1 3.79Å; F482-V636 HydrophobicContact CE2-CG1 3.88Å; F482-V636 PolarHBondContact N-O 3.11Å; L569-V636 HydrophobicContact CD1-CG1 4.01Å; T572-V636 HydrophobicContact CG2-CG1 3.62Å; T572-V636 HydrophobicContact CG2-CG2 4.45Å; A632-V636 WeakPolarHBondContact O-CG2 3.21Å; A632-V636 PolarHBondContact O-N 2.98Å; L633-V636 PolarHBondContact O-N 3.21Å
637L98Very high97.3Very high5 Ų58.3 Ų8.33%0.0264%0.037CC..THydrogen-bonded Turntrans-91.3-7.7179.2-59.1163000112.8F482 W485 V555 L569 L633 H635 R639 I641 I681F482-L637 HydrophobicContact CD2-CD2 4.18Å; F482-L637 HydrophobicContact CG-CD2 4.41Å; W485-L637 PolarHBondContact NE1-O 2.79Å; W485-L637 VanDerWaalsContact NE1-O 3.17Å; V555-L637 HydrophobicContact CG1-CD1 3.43Å; V555-L637 VanDerWaalsContact CG1-CD1 3.43Å; V555-L637 HydrophobicContact CG1-CD2 4.39Å; L569-L637 HydrophobicContact CD1-CD2 4.27Å; L633-L637 WeakPolarHBondContact O-CB 3.36Å; L633-L637 WeakPolarHBondContact O-CD1 3.44Å; L633-L637 VanDerWaalsContact O-CG 3.22Å; L633-L637 WeakPolarHBondContact O-CG 3.37Å; L633-L637 PolarHBondContact O-N 3Å; H635-L637 PolarHBondContact O-N 3.08Å; L637-R639 HydrophobicContact CB-CB 4.09Å; L637-R639 WeakPolarHBondContact O-CB 3.25Å; L637-R639 PolarHBondContact O-N 2.99Å; L637-I641 HydrophobicContact CD1-CD1 4.32Å; L637-I681 HydrophobicContact CB-CD1 4.46Å; L637-I681 HydrophobicContact CD1-CD1 3.49Å; L637-I681 VanDerWaalsContact CD1-CD1 3.49Å; L637-I681 HydrophobicContact CG-CD1 4.47Å
638R97.9Very high96.8Very high31 Ų3113.3 Ų13.312%0.1176%0.056CC..THydrogen-bonded Turntrans45.746.2-169.5-65.3179-60.1135-1.4111.7F482 S483 S634 H635 W671 S675 C676 S677F482-R638 PolarHBondContact O-NE 3.14Å; F482-R638 PolarHBondContact O-NH2 3.33Å; S483-R638 PolarHBondContact O-NH2 3.15Å; S483-R638 VanDerWaalsContact O-NH2 3.09Å; S634-R638 WeakPolarHBondContact O-CA 3.41Å; S634-R638 PolarHBondContact O-N 3.48Å; H635-R638 WeakPolarHBondContact O-CG 3.26Å; H635-R638 PolarHBondContact O-N 3.44Å; R638-W671 HydrophobicContact CG-CG 4.45Å; R638-S675 PolarHBondContact NH1-O 3.47Å; R638-C676 HydrophobicContact CB-CB 4.48Å; R638-C676 CarbonylContact O-C 3.17Å; R638-C676 VanDerWaalsContact O-CA 3.24Å; R638-C676 WeakPolarHBondContact O-CA 3.26Å; R638-C676 WeakPolarHBondContact O-CB 3.39Å; R638-S677 PolarHBondContact O-N 3.46Å
639R97.8Very high96.1Very high6 Ų616.8 Ų16.82%0.0237%0.074CC..SBendtrans-155.4131.8-166.2-171.2173.4173.1172-0.2112.3G486 T487 S634 L637 N679 P680 I681G486-R639 PolarHBondContact O-NH1 3.07Å; T487-R639 PolarHBondContact OG1-NH1 2.86Å; T487-R639 PolarHBondContact OG1-NH2 2.96Å; S634-R639 WeakPolarHBondContact CA-O 3.41Å; S634-R639 WeakPolarHBondContact CB-O 3.46Å; S634-R639 PolarHBondContact O-N 3.39Å; L637-R639 HydrophobicContact CB-CB 4.09Å; L637-R639 WeakPolarHBondContact O-CB 3.25Å; L637-R639 PolarHBondContact O-N 2.99Å; R639-N679 WeakPolarHBondContact CD-O 3.16Å; R639-N679 WeakPolarHBondContact CG-O 3.48Å; R639-N679 PolarHBondContact NE-O 2.85Å; R639-P680 PolarHBondContact NH2-O 3.44Å; R639-I681 HydrophobicContact CG-CD1 4.47Å; R639-I681 HydrophobicContact CG-CG1 4.16Å
640P98.6Very high95.2Very high0 Ų021.4 Ų21.40%09%0.094CC..  trans-56143.3173.1-29.237.7000113.8Y666 L667 S677 P680 I681 L824P640-Y666 CarbonylContact C-O 3.46Å; P640-Y666 VanDerWaalsContact CA-O 3.31Å; P640-Y666 WeakPolarHBondContact CA-O 3.48Å; P640-L667 HydrophobicContact CB-CD2 3.85Å; P640-L667 HydrophobicContact CG-CD2 3.95Å; P640-S677 WeakPolarHBondContact CD-O 3.47Å; P640-P680 CarbonylContact O-C 3.56Å; P640-P680 WeakPolarHBondContact O-CA 3.31Å; P640-I681 PolarHBondContact O-N 2.73Å; P640-L824 HydrophobicContact CB-CD2 3.67Å; P640-L824 HydrophobicContact CB-CG 4.45Å; P640-L824 HydrophobicContact CG-CD2 3.78Å; P640-L824 HydrophobicContact CG-CG 4.4Å
641I98.8Very high94.4Very high0 Ų023.5 Ų23.50%011%0.105CC..EExtended strand (participates in β ladder)trans-118.8127.7172.4-51.2-178.9000108.4I630 L633 L637 V643 Y666 I681 L683I630-I641 HydrophobicContact CG2-CB 4.2Å; I630-I641 HydrophobicContact CG2-CD1 4Å; I630-I641 HydrophobicContact CG2-CG2 4Å; L633-I641 HydrophobicContact CB-CD1 4.03Å; L637-I641 HydrophobicContact CD1-CD1 4.32Å; I641-V643 HydrophobicContact CG2-CG2 4.24Å; I641-Y666 PolarHBondContact N-O 3.5Å; I641-Y666 PolarHBondContact O-N 3.49Å; I641-I681 HydrophobicContact CG1-CB 4.27Å; I641-I681 HydrophobicContact CG1-CD1 4.35Å; I641-I681 HydrophobicContact CG2-CB 4.41Å; I641-L683 HydrophobicContact CG2-CD1 3.71Å; I641-L683 HydrophobicContact CG2-CG 3.97Å
642I98.7Very high93.6Very high0 Ų031 Ų310%013%0.134CC..EExtended strand (participates in β ladder)trans-108.2123.9174.6-58.8175000107.6Y644 P680 I681 V682 L683 L793 L795 L803 A836I642-Y644 HydrophobicContact CG2-CD2 4.36Å; I642-Y644 HydrophobicContact CG2-CE1 4.42Å; I642-Y644 HydrophobicContact CG2-CE2 3.86Å; I642-P680 HydrophobicContact CD1-CB 3.6Å; I642-P680 HydrophobicContact CD1-CG 3.9Å; I642-P680 HydrophobicContact CG1-CB 3.92Å; I642-I681 PolarHBondContact N-O 2.92Å; I642-V682 WeakPolarHBondContact O-CA 3Å; I642-L683 PolarHBondContact O-N 2.97Å; I642-L793 HydrophobicContact CD1-CD1 4.23Å; I642-L795 HydrophobicContact CD1-CD2 3.82Å; I642-L803 HydrophobicContact CG2-CD1 4.3Å; I642-A836 HydrophobicContact CD1-CB 4.31Å
643V98.6Very high92.8Very high0 Ų038.9 Ų38.90%016%0.164CC..EExtended strand (participates in β ladder)trans-112.1116.8177.7-175.40000109I630 I641 F662 Q663 G664 Y666 L683 F685I630-V643 HydrophobicContact CD1-CG2 4.29Å; I630-V643 HydrophobicContact CG2-CG2 4.39Å; I641-V643 HydrophobicContact CG2-CG2 4.24Å; V643-F662 VanDerWaalsContact CB-O 3.25Å; V643-F662 WeakPolarHBondContact CB-O 3.18Å; V643-F662 HydrophobicContact CG1-CB 4.44Å; V643-F662 VanDerWaalsContact CG1-O 3.28Å; V643-F662 WeakPolarHBondContact CG1-O 3.29Å; V643-Q663 WeakPolarHBondContact O-CA 3.4Å; V643-G664 PolarHBondContact N-O 2.97Å; V643-G664 PolarHBondContact O-N 3.28Å; V643-Y666 HydrophobicContact CB-CE2 4.17Å; V643-Y666 HydrophobicContact CG2-CD2 3.96Å; V643-Y666 HydrophobicContact CG2-CE2 3.56Å; V643-L683 WeakPolarHBondContact CA-O 3.35Å; V643-L683 HydrophobicContact CG2-CB 4.3Å; V643-L683 HydrophobicContact CG2-CD1 4.5Å; V643-F685 HydrophobicContact CG1-CB 3.94Å
644Y98.1Very high91.9Very high2 Ų241 Ų411%0.00819%0.186CC..EExtended strand (participates in β ladder)trans-94.8135.3165.6-62.3-74.2000108.3I525 W528 L539 I642 V682 L683 G684 F685 L693 P794 L803I525-Y644 HydrophobicContact CG2-CD2 4.16Å; I525-Y644 HydrophobicContact CG2-CG 3.95Å; W528-Y644 HydrophobicContact CH2-CE1 4.48Å; W528-Y644 HydrophobicContact CH2-CE2 4.47Å; L539-Y644 HydrophobicContact CD1-CE2 4.27Å; I642-Y644 HydrophobicContact CG2-CD2 4.36Å; I642-Y644 HydrophobicContact CG2-CE1 4.42Å; I642-Y644 HydrophobicContact CG2-CE2 3.86Å; Y644-V682 HydrophobicContact CD2-CG1 3.75Å; Y644-V682 HydrophobicContact CE2-CG1 3.61Å; Y644-L683 PolarHBondContact N-O 3.38Å; Y644-G684 CarbonylContact O-C 3.57Å; Y644-G684 VanDerWaalsContact O-CA 3.23Å; Y644-G684 WeakPolarHBondContact O-CA 3.32Å; Y644-F685 PolarHBondContact O-N 2.95Å; Y644-L693 HydrophobicContact CD2-CD1 3.9Å; Y644-P794 PolarHBondContact OH-O 3.42Å; Y644-L803 HydrophobicContact CD1-CD1 4.4Å; Y644-L803 HydrophobicContact CE1-CD1 3.87Å
645G95.7Very high91.1Very high1 Ų146 Ų461%0.0121%0.209CC..EExtended strand (participates in β ladder)trans-159.3178.5-174.900000114.7A524 Q663 F685A524-G645 WeakPolarHBondContact CB-O 3.5Å; G645-Q663 PolarHBondContact O-OE1 3.32Å; G645-F685 WeakPolarHBondContact CA-O 3.47Å
646V92.1Very high90.5Very high12 Ų1250.2 Ų50.27%0.07324%0.236CC..  trans-67.6132.5166.3-59.80000109.3E517 A522 A660 F685 T686E517-V646 HydrophobicContact CG-CG1 3.96Å; A522-V646 HydrophobicContact CB-CG1 4.15Å; V646-A660 HydrophobicContact CG2-CB 4.3Å; V646-A660 WeakPolarHBondContact O-CB 3.48Å; V646-F685 HydrophobicContact CG2-CD1 4.39Å; V646-F685 PolarHBondContact N-O 3.11Å; V646-F685 VanDerWaalsContact N-O 3.07Å; V646-T686 HydrophobicContact CG1-CG2 4.41Å
647K86.9Confident89.8Confident90 Ų9055.3 Ų55.339%0.39126%0.262SS..SBendtrans-71-37175.5-69.4-172.8176.4-175.50112.2A660 D797K647-A660 PolarHBondContact O-N 3.39Å; K647-D797 IonicContact NZ-OD2 3.32Å; K647-D797 PolarHBondContact NZ-OD2 2.89Å
648Y86Confident89Confident129 Ų12956.5 Ų56.551%0.50628%0.276SS..EExtended strand (participates in β ladder)trans-119.5140.3-176.6-55.4-75.7000111.4P656 G658 I659Y648-P656 HydrophobicContact CD1-CB 4.22Å; Y648-P656 HydrophobicContact CG-CB 4.06Å; Y648-G658 CarbonylContact C-O 3.58Å; Y648-G658 VanDerWaalsContact CA-O 3.31Å; Y648-G658 WeakPolarHBondContact CA-O 3.14Å; Y648-I659 HydrophobicContact CD1-CG1 4.24Å; Y648-I659 HydrophobicContact CE1-CG1 4.17Å
649I83Confident88.3Confident76 Ų7660.8 Ų60.839%0.3930%0.3SS..EExtended strand (participates in β ladder)trans-78.8130.1164-52.8176.7000106.9P656 I657 G658 A660I649-P656 CarbonylContact O-C 3.45Å; I649-P656 WeakPolarHBondContact O-CA 3.41Å; I649-I657 HydrophobicContact CB-CG1 4.11Å; I649-I657 HydrophobicContact CG2-CD1 3.92Å; I649-I657 HydrophobicContact CG2-CG1 3.98Å; I649-I657 WeakPolarHBondContact O-CG1 3.13Å; I649-I657 PolarHBondContact O-N 3.48Å; I649-G658 PolarHBondContact N-O 2.64Å; I649-A660 HydrophobicContact CG1-CB 3.89Å
650K80.5Confident87.7Confident98 Ų9860.6 Ų60.643%0.42630%0.3SS..EExtended strand (participates in β ladder)trans-104.8144.2179.7-59.8174.9-170.6169.90110.7E521 E655E521-K650 IonicContact OE2-NZ 3.58Å; E521-K650 PolarHBondContact OE2-NZ 3.4Å; K650-E655 CarbonylContact C-O 3.49Å; K650-E655 VanDerWaalsContact CA-O 3.26Å; K650-E655 WeakPolarHBondContact CA-O 3.37Å
651N82.1Confident87.3Confident43 Ų4362.7 Ų62.723%0.2331%0.311CS..  trans-75.5-179.7166.969.514.7000111.8R653 G654 E655 I657N651-R653 PolarHBondContact O-N 3.47Å; N651-R653 VanDerWaalsContact O-N 3.12Å; N651-R653 VanDerWaalsContact OD1-CA 3.31Å; N651-R653 WeakPolarHBondContact OD1-CA 3.43Å; N651-R653 VanDerWaalsContact OD1-CB 3.28Å; N651-R653 WeakPolarHBondContact OD1-CB 3.25Å; N651-R653 PolarHBondContact OD1-N 2.82Å; N651-G654 PolarHBondContact O-N 3.15Å; N651-G654 PolarHBondContact OD1-N 2.95Å; N651-G654 VanDerWaalsContact OD1-N 3.09Å; N651-E655 PolarHBondContact N-O 2.87Å; N651-E655 PolarHBondContact ND2-OE2 2.96Å; N651-E655 PolarHBondContact OD1-N 3.45Å; N651-E655 PolarHBondContact OD1-O 3.25Å; N651-I657 HydrophobicContact CB-CG2 3.71Å
652Y80.2Confident87.2Confident158 Ų15863.9 Ų63.962%0.6232%0.316SS*.THydrogen-bonded Turntrans-63.6-12.9177.272-89.6000114.8
653R82.5Confident87Confident166 Ų16665.1 Ų65.163%0.62632%0.322SS*.THydrogen-bonded Turntrans-91.3-8.1173.6-55.9179.6174.2-89-3.4112.4N651 E655N651-R653 PolarHBondContact O-N 3.47Å; N651-R653 VanDerWaalsContact O-N 3.12Å; N651-R653 VanDerWaalsContact OD1-CA 3.31Å; N651-R653 WeakPolarHBondContact OD1-CA 3.43Å; N651-R653 VanDerWaalsContact OD1-CB 3.28Å; N651-R653 WeakPolarHBondContact OD1-CB 3.25Å; N651-R653 PolarHBondContact OD1-N 2.82Å; R653-E655 HydrophobicContact CB-CG 4.13Å; R653-E655 WeakPolarHBondContact CD-OE2 3.42Å
654G78.8Confident87Confident44 Ų4465.1 Ų65.145%0.45432%0.322SS..SBendtrans87.72.4-174.800000114.5N651N651-G654 PolarHBondContact O-N 3.15Å; N651-G654 PolarHBondContact OD1-N 2.95Å; N651-G654 VanDerWaalsContact OD1-N 3.09Å
655E83.6Confident87Confident104 Ų10465 Ų6549%0.48632%0.322SS..  trans-80.2139-179.2-57.4158.6149.100110.1K650 N651 R653 I657K650-E655 CarbonylContact C-O 3.49Å; K650-E655 VanDerWaalsContact CA-O 3.26Å; K650-E655 WeakPolarHBondContact CA-O 3.37Å; N651-E655 PolarHBondContact N-O 2.87Å; N651-E655 PolarHBondContact ND2-OE2 2.96Å; N651-E655 PolarHBondContact OD1-N 3.45Å; N651-E655 PolarHBondContact OD1-O 3.25Å; R653-E655 HydrophobicContact CB-CG 4.13Å; R653-E655 WeakPolarHBondContact CD-OE2 3.42Å; E655-I657 PolarHBondContact O-N 2.83Å
656P84Confident87.1Confident89 Ų8965 Ų6558%0.57832%0.321SS*.EExtended strand (participates in β ladder)trans-68.8124.9177.829.3-33.9000110.6Y648 I649Y648-P656 HydrophobicContact CD1-CB 4.22Å; Y648-P656 HydrophobicContact CG-CB 4.06Å; I649-P656 CarbonylContact O-C 3.45Å; I649-P656 WeakPolarHBondContact O-CA 3.41Å
657I83.6Confident87.4Confident107 Ų10764.4 Ų64.455%0.54932%0.318SS..EExtended strand (participates in β ladder)trans-101.2-18.5176.154.4169.1000113.4I649 N651 E655I649-I657 HydrophobicContact CB-CG1 4.11Å; I649-I657 HydrophobicContact CG2-CD1 3.92Å; I649-I657 HydrophobicContact CG2-CG1 3.98Å; I649-I657 WeakPolarHBondContact O-CG1 3.13Å; I649-I657 PolarHBondContact O-N 3.48Å; N651-I657 HydrophobicContact CB-CG2 3.71Å; E655-I657 PolarHBondContact O-N 2.83Å
658G80.9Confident88Confident30 Ų3060.1 Ų60.131%0.30930%0.299SS..EExtended strand (participates in β ladder)trans-175.4168.8-177.900000111.8Y648 I649Y648-G658 CarbonylContact C-O 3.58Å; Y648-G658 VanDerWaalsContact CA-O 3.31Å; Y648-G658 WeakPolarHBondContact CA-O 3.14Å; I649-G658 PolarHBondContact N-O 2.64Å
659I83.8Confident88.5Confident121 Ų12154.8 Ų54.862%0.62128%0.279SS*.EExtended strand (participates in β ladder)trans-85.4132.9174.7-59.9175000107.6Y648 N661Y648-I659 HydrophobicContact CD1-CG1 4.24Å; Y648-I659 HydrophobicContact CE1-CG1 4.17Å; I659-N661 HydrophobicContact CG2-CB 4.16Å
660A85.9Confident89.1Confident3 Ų353.2 Ų53.23%0.02527%0.272CS..  trans-75.8-28.5178.500000112.6Q627 V646 K647 I649 F662 F685Q627-A660 PolarHBondContact NE2-O 3.28Å; V646-A660 HydrophobicContact CG2-CB 4.3Å; V646-A660 WeakPolarHBondContact O-CB 3.48Å; K647-A660 PolarHBondContact O-N 3.39Å; I649-A660 HydrophobicContact CG1-CB 3.89Å; A660-F662 WeakPolarHBondContact O-CD2 3.21Å; A660-F662 PolarHBondContact O-N 3.25Å; A660-F685 HydrophobicContact CB-CD1 4.43Å; A660-F685 HydrophobicContact CB-CE1 4Å
661N89.9Confident89.9Confident44 Ų4450.4 Ų50.424%0.23526%0.258CS..  trans56.21.8175.6-140.212.6000117.9Y591 Q595 I659 H806Y591-N661 PolarHBondContact OH-ND2 3Å; Q595-N661 PolarHBondContact OE1-ND2 3.29Å; I659-N661 HydrophobicContact CG2-CB 4.16Å; N661-H806 PolarHBondContact O-CE1 2.82Å
662F95.5Very high90.5Very high25 Ų2555.1 Ų55.111%0.1128%0.279CS..  trans-78.1-23.6176.7-73.8-75.8000114.5Q627 I630 V643 A660 G664 Y666 F685 F690Q627-F662 HydrophobicContact CG-CD1 3.75Å; Q627-F662 HydrophobicContact CG-CE1 3.92Å; Q627-F662 HydrophobicContact CG-CG 4.37Å; I630-F662 HydrophobicContact CD1-CD1 3.73Å; I630-F662 HydrophobicContact CD1-CE1 4.2Å; V643-F662 VanDerWaalsContact CB-O 3.25Å; V643-F662 WeakPolarHBondContact CB-O 3.18Å; V643-F662 HydrophobicContact CG1-CB 4.44Å; V643-F662 VanDerWaalsContact CG1-O 3.28Å; V643-F662 WeakPolarHBondContact CG1-O 3.29Å; A660-F662 WeakPolarHBondContact O-CD2 3.21Å; A660-F662 PolarHBondContact O-N 3.25Å; F662-G664 PolarHBondContact O-N 3Å; F662-Y666 PolarHBondContact O-OH 2.91Å; F662-Y666 VanDerWaalsContact O-OH 3.14Å; F662-F685 HydrophobicContact CB-CB 4.26Å; F662-F685 HydrophobicContact CB-CD1 3.91Å; F662-F685 HydrophobicContact CB-CD2 4.26Å; F662-F685 HydrophobicContact CB-CE1 4.34Å; F662-F685 HydrophobicContact CB-CG 3.86Å; F662-F685 AromaticContact CD2-CD1 3.92Å; F662-F685 HydrophobicContact CD2-CD1 3.92Å; F662-F685 HydrophobicContact CD2-CD2 4.08Å; F662-F685 AromaticContact CD2-CE1 3.47Å; F662-F685 HydrophobicContact CD2-CE1 3.47Å; F662-F685 VanDerWaalsContact CD2-CE1 3.47Å; F662-F685 AromaticContact CD2-CE2 3.61Å; F662-F685 HydrophobicContact CD2-CE2 3.61Å; F662-F685 HydrophobicContact CD2-CG 4.21Å; F662-F685 AromaticContact CD2-CZ 3.27Å; F662-F685 HydrophobicContact CD2-CZ 3.27Å; F662-F685 HydrophobicContact CE2-CE1 4.15Å; F662-F685 AromaticContact CE2-CE2 3.84Å; F662-F685 HydrophobicContact CE2-CE2 3.84Å; F662-F685 AromaticContact CE2-CZ 3.53Å; F662-F685 HydrophobicContact CE2-CZ 3.53Å; F662-F685 HydrophobicContact CG-CD1 4.23Å; F662-F685 HydrophobicContact CG-CD2 4.12Å; F662-F685 HydrophobicContact CG-CE1 4.22Å; F662-F685 HydrophobicContact CG-CE2 4.07Å; F662-F685 HydrophobicContact CG-CG 4.18Å; F662-F685 HydrophobicContact CG-CZ 4.12Å; F662-F685 HydrophobicContact CZ-CE2 4.44Å; F662-F690 HydrophobicContact CD1-CE1 4.19Å; F662-F690 AromaticContact CD1-CZ 3.61Å; F662-F690 HydrophobicContact CD1-CZ 3.61Å; F662-F690 HydrophobicContact CE1-CE2 4.44Å; F662-F690 AromaticContact CE1-CZ 3.71Å; F662-F690 HydrophobicContact CE1-CZ 3.71Å; F662-F690 HydrophobicContact CG-CZ 4.17Å; F662-F690 HydrophobicContact CZ-CZ 4.39Å
663Q96.1Very high91.1Very high25 Ų2551.8 Ų51.812%0.11727%0.268CS..  trans-63.4130.6177.5175.4179.5-30.100109.7V643 G645 L803 P804 H806V643-Q663 WeakPolarHBondContact O-CA 3.4Å; G645-Q663 PolarHBondContact O-OE1 3.32Å; Q663-L803 HydrophobicContact CG-CD2 4.02Å; Q663-P804 WeakPolarHBondContact O-CG 3.27Å; Q663-H806 PolarHBondContact O-NE2 3.21Å
664G97.3Very high91.6Very high0 Ų049 Ų490%027%0.273CS..EExtended strand (participates in β ladder)trans154.3-165.2178.200000114.6V643 F662 P804V643-G664 PolarHBondContact N-O 2.97Å; V643-G664 PolarHBondContact O-N 3.28Å; F662-G664 PolarHBondContact O-N 3Å; G664-P804 CarbonylContact C-O 3.59Å; G664-P804 WeakPolarHBondContact CA-O 3.21Å
665I98.6Very high92.3Very high0 Ų048.4 Ų48.40%026%0.261CS..EExtended strand (participates in β ladder)trans-121.5125.9-177.9-54.3172.1000108.2L667 L795 L803 P804 I805 H806 L820 L824I665-L667 HydrophobicContact CG2-CD2 3.64Å; I665-L667 HydrophobicContact CG2-CG 4.06Å; I665-L795 HydrophobicContact CD1-CB 4.38Å; I665-L795 HydrophobicContact CD1-CD2 3.92Å; I665-L803 HydrophobicContact CD1-CB 4.07Å; I665-L803 HydrophobicContact CG1-CB 4.03Å; I665-L803 HydrophobicContact CG1-CD1 4.39Å; I665-P804 PolarHBondContact N-O 3.14Å; I665-I805 WeakPolarHBondContact O-CA 3.27Å; I665-H806 PolarHBondContact O-N 3.48Å; I665-L820 HydrophobicContact CD1-CD1 4.39Å; I665-L820 HydrophobicContact CD1-CD2 3.6Å; I665-L820 HydrophobicContact CG2-CD2 4.16Å; I665-L824 HydrophobicContact CG2-CD1 4.38Å
666Y98.7Very high92.9Very high0 Ų044 Ų440%024%0.242CC..EExtended strand (participates in β ladder)trans-111.7117.6178.4-59.2-98.2000107.8Q627 I630 F631 P640 I641 V643 F662 H806 F807Q627-Y666 HydrophobicContact CB-CE1 4.14Å; Q627-Y666 WeakPolarHBondContact O-CE1 3.45Å; I630-Y666 HydrophobicContact CB-CD1 3.88Å; I630-Y666 HydrophobicContact CB-CD2 4.38Å; I630-Y666 HydrophobicContact CB-CE1 3.87Å; I630-Y666 HydrophobicContact CB-CE2 4.38Å; I630-Y666 HydrophobicContact CB-CG 4.15Å; I630-Y666 HydrophobicContact CD1-CE1 4.46Å; I630-Y666 HydrophobicContact CD1-CE2 4.22Å; I630-Y666 HydrophobicContact CG2-CD1 3.9Å; I630-Y666 HydrophobicContact CG2-CD2 3.61Å; I630-Y666 HydrophobicContact CG2-CE1 4.17Å; I630-Y666 HydrophobicContact CG2-CE2 3.91Å; I630-Y666 HydrophobicContact CG2-CG 3.62Å; F631-Y666 HydrophobicContact CB-CD1 4.18Å; P640-Y666 CarbonylContact C-O 3.46Å; P640-Y666 VanDerWaalsContact CA-O 3.31Å; P640-Y666 WeakPolarHBondContact CA-O 3.48Å; I641-Y666 PolarHBondContact N-O 3.5Å; I641-Y666 PolarHBondContact O-N 3.49Å; V643-Y666 HydrophobicContact CB-CE2 4.17Å; V643-Y666 HydrophobicContact CG2-CD2 3.96Å; V643-Y666 HydrophobicContact CG2-CE2 3.56Å; F662-Y666 PolarHBondContact O-OH 2.91Å; F662-Y666 VanDerWaalsContact O-OH 3.14Å; Y666-H806 HydrophobicContact CD1-CB 3.81Å; Y666-H806 HydrophobicContact CE1-CB 3.64Å; Y666-H806 AromaticContact CE1-CD2 3.69Å; Y666-H806 AromaticContact CE1-CG 3.7Å; Y666-H806 AromaticContact CE2-CD2 3.64Å; Y666-H806 AromaticContact CZ-CD2 3.33Å; Y666-H806 AromaticContact CZ-CG 3.8Å; Y666-H806 AromaticContact CZ-NE2 3.84Å; Y666-H806 PolarHBondContact OH-CD2 2.87Å; Y666-H806 PolarHBondContact OH-NE2 3.17Å; Y666-F807 HydrophobicContact CD1-CD2 4.38Å; Y666-F807 HydrophobicContact CD1-CE2 4.26Å; Y666-F807 HydrophobicContact CE1-CD2 4.49Å; Y666-F807 AromaticContact CE1-CE2 4Å; Y666-F807 HydrophobicContact CE1-CE2 4Å
667L98.5Very high93.5Very high0 Ų040.6 Ų40.60%022%0.22CC..  trans-110.3142.7-176-59.8-178.3000110.2F631 S634 P640 I665 L669 I805 L819 W823F631-L667 WeakPolarHBondContact CE2-O 3.34Å; S634-L667 PolarHBondContact OG-O 2.96Å; P640-L667 HydrophobicContact CB-CD2 3.85Å; P640-L667 HydrophobicContact CG-CD2 3.95Å; I665-L667 HydrophobicContact CG2-CD2 3.64Å; I665-L667 HydrophobicContact CG2-CG 4.06Å; L667-L669 HydrophobicContact CB-CD2 3.71Å; L667-L669 HydrophobicContact CB-CG 3.88Å; L667-L669 HydrophobicContact CD1-CD2 4.14Å; L667-L669 PolarHBondContact O-N 3.49Å; L667-I805 HydrophobicContact CD1-CG2 3.83Å; L667-I805 HydrophobicContact CG-CG2 4.1Å; L667-L819 HydrophobicContact CD1-CD2 4.03Å; L667-L819 HydrophobicContact CD1-CG 3.95Å; L667-W823 HydrophobicContact CD1-CB 4.07Å; L667-W823 HydrophobicContact CD1-CG 4.06Å; L667-W823 HydrophobicContact CD2-CB 3.96Å
668P97.9Very high94.1Very high0 Ų041.7 Ų41.70%022%0.217CC..  trans-75.256.9176.128.2-31.8000112.8H635 L670 W671 C676 W823H635-P668 WeakPolarHBondContact NE2-CA 3.48Å; P668-L670 PolarHBondContact O-N 3.13Å; P668-L670 VanDerWaalsContact O-N 3.1Å; P668-W671 PolarHBondContact O-N 2.59Å; P668-C676 HydrophobicContact CG-CB 4.13Å; P668-W823 HydrophobicContact CB-CZ3 4.47Å; P668-W823 HydrophobicContact CG-CE3 4.05Å; P668-W823 HydrophobicContact CG-CH2 4.49Å; P668-W823 HydrophobicContact CG-CZ3 3.71Å; P668-W823 WeakPolarHBondContact O-CH2 3.49Å
669L97.2Very high94.9Very high17 Ų1740.9 Ų40.99%0.08921%0.206CC..THydrogen-bonded Turntrans-60-21.5-169.2-63.3177.4000115.5F631 H635 L667 W671 T808 L819 W823F631-L669 HydrophobicContact CE2-CD1 4.25Å; F631-L669 HydrophobicContact CE2-CG 4.36Å; F631-L669 HydrophobicContact CZ-CB 4.42Å; H635-L669 PolarHBondContact NE2-N 3.26Å; H635-L669 VanDerWaalsContact NE2-N 3.18Å; L667-L669 HydrophobicContact CB-CD2 3.71Å; L667-L669 HydrophobicContact CB-CG 3.88Å; L667-L669 HydrophobicContact CD1-CD2 4.14Å; L667-L669 PolarHBondContact O-N 3.49Å; L669-W671 VanDerWaalsContact C-N 3.34Å; L669-T808 HydrophobicContact CD1-CG2 4.04Å; L669-L819 HydrophobicContact CD2-CD1 4.02Å; L669-L819 HydrophobicContact CD2-CD2 4.31Å; L669-L819 HydrophobicContact CD2-CG 4.47Å; L669-W823 HydrophobicContact CD2-CZ2 4.21Å
670L96.4Very high95.6Very high44 Ų4435.2 Ų35.223%0.2318%0.177CC..THydrogen-bonded Turntrans-84.8-7.3179.4-52.8171.8000112.9F477 N583 F584 R587 F631 H635 P668F477-L670 HydrophobicContact CD1-CB 4.36Å; F477-L670 HydrophobicContact CD2-CB 4.46Å; F477-L670 HydrophobicContact CD2-CD1 4.44Å; F477-L670 HydrophobicContact CE1-CB 3.9Å; F477-L670 HydrophobicContact CE2-CB 4.03Å; F477-L670 HydrophobicContact CE2-CD1 3.61Å; F477-L670 HydrophobicContact CE2-CG 4.48Å; F477-L670 HydrophobicContact CZ-CB 3.72Å; F477-L670 HydrophobicContact CZ-CD1 3.81Å; F477-L670 HydrophobicContact CZ-CG 4.43Å; N583-L670 HydrophobicContact CB-CD1 3.83Å; F584-L670 HydrophobicContact CD1-CD1 3.82Å; F584-L670 HydrophobicContact CE1-CD1 3.66Å; F584-L670 HydrophobicContact CG-CD1 4.49Å; F584-L670 HydrophobicContact CZ-CD1 4.21Å; R587-L670 HydrophobicContact CG-CD2 4.45Å; F631-L670 HydrophobicContact CE1-CD1 4.47Å; H635-L670 WeakPolarHBondContact NE2-CB 3.37Å; H635-L670 WeakPolarHBondContact NE2-CG 3.43Å; H635-L670 PolarHBondContact NE2-N 3.28Å; P668-L670 PolarHBondContact O-N 3.13Å; P668-L670 VanDerWaalsContact O-N 3.1Å
671W96.1Very high96.2Very high39 Ų3935.2 Ų35.215%0.14818%0.176CC..SBendtrans-94.6160.9173.5-77.4120.9000112.3C473 F477 C479 Y481 H635 R638 P668 L669 C676 W823C473-W671 HydrophobicContact CB-CH2 3.96Å; C473-W671 VanDerWaalsContact SG-CH2 3.54Å; F477-W671 HydrophobicContact CD1-CD2 4.07Å; F477-W671 HydrophobicContact CD1-CE3 4.12Å; F477-W671 HydrophobicContact CD1-CH2 4Å; F477-W671 HydrophobicContact CD1-CZ2 4.01Å; F477-W671 HydrophobicContact CD1-CZ3 4.07Å; F477-W671 AromaticContact CE1-CD2 3.9Å; F477-W671 HydrophobicContact CE1-CD2 3.9Å; F477-W671 AromaticContact CE1-CE2 3.59Å; F477-W671 HydrophobicContact CE1-CE3 4.42Å; F477-W671 HydrophobicContact CE1-CG 4.27Å; F477-W671 HydrophobicContact CE1-CH2 4.32Å; F477-W671 AromaticContact CE1-CZ2 3.85Å; F477-W671 HydrophobicContact CE1-CZ2 3.85Å; F477-W671 AromaticContact CE1-NE1 3.8Å; C479-W671 HydrophobicContact CB-CH2 4.35Å; C479-W671 HydrophobicContact CB-CZ2 3.77Å; Y481-W671 HydrophobicContact CD1-CH2 4.34Å; Y481-W671 HydrophobicContact CD1-CZ2 4.27Å; H635-W671 AromaticContact CD2-CD1 3.72Å; H635-W671 PolarHBondContact O-NE1 3.12Å; R638-W671 HydrophobicContact CG-CG 4.45Å; P668-W671 PolarHBondContact O-N 2.59Å; L669-W671 VanDerWaalsContact C-N 3.34Å; W671-C676 VanDerWaalsContact CB-SG 3.52Å; W671-W823 WeakPolarHBondContact O-CH2 3.28Å
672E94.2Very high96.6Very high141 Ų14133.3 Ų33.366%0.65917%0.166SC*.  trans-71.4135.3164.7-66.4-169.3170.600110.9C674 S675E672-C674 PolarHBondContact O-N 3.48Å; E672-C674 VanDerWaalsContact O-N 3.11Å; E672-S675 WeakPolarHBondContact O-CB 3.45Å; E672-S675 PolarHBondContact O-N 3.06Å; E672-S675 PolarHBondContact O-OG 3.43Å
673K93.3Very high96.7Very high89 Ų8932.1 Ų32.139%0.38716%0.161SC..G310 helixtrans-51.2-37.9-177.2-68.6161.8176.9166.10114S675 C676 E822 W823K673-S675 VanDerWaalsContact C-N 3.27Å; K673-S675 PolarHBondContact O-N 2.89Å; K673-C676 PolarHBondContact O-N 2.87Å; K673-E822 HydrophobicContact CD-CB 4.27Å; K673-E822 VanDerWaalsContact CE-OE2 3.31Å; K673-E822 WeakPolarHBondContact CE-OE2 3.31Å; K673-E822 IonicContact NZ-OE1 3.95Å; K673-E822 PolarHBondContact NZ-OE1 2.96Å; K673-E822 IonicContact NZ-OE2 2.79Å; K673-E822 PolarHBondContact NZ-OE2 3.02Å; K673-W823 HydrophobicContact CG-CD2 4.22Å; K673-W823 HydrophobicContact CG-CE3 4.43Å; K673-W823 HydrophobicContact CG-CH2 3.97Å; K673-W823 HydrophobicContact CG-CZ2 3.72Å; K673-W823 HydrophobicContact CG-CZ3 4.3Å
674C93.3Very high96.8Very high108 Ų10831 Ų3173%0.7316%0.156SC*.G310 helixtrans-69-22.5179.456.90000113.5E672 C676E672-C674 PolarHBondContact O-N 3.48Å; E672-C674 VanDerWaalsContact O-N 3.11Å; C674-C676 VanDerWaalsContact C-N 3.32Å
675S93.6Very high96.8Very high31 Ų3131.3 Ų31.322%0.21716%0.157CC..G310 helixtrans-84.4-5.2177.9780000113.2R638 E672 K673R638-S675 PolarHBondContact NH1-O 3.47Å; E672-S675 WeakPolarHBondContact O-CB 3.45Å; E672-S675 PolarHBondContact O-N 3.06Å; E672-S675 PolarHBondContact O-OG 3.43Å; K673-S675 VanDerWaalsContact C-N 3.27Å; K673-S675 PolarHBondContact O-N 2.89Å
676C97Very high96.5Very high12 Ų1231.7 Ų31.78%0.08116%0.16CC..SBendtrans-114.4149.6-174.7-65.90000113.6R638 P668 W671 K673 C674 W823R638-C676 HydrophobicContact CB-CB 4.48Å; R638-C676 CarbonylContact O-C 3.17Å; R638-C676 VanDerWaalsContact O-CA 3.24Å; R638-C676 WeakPolarHBondContact O-CA 3.26Å; R638-C676 WeakPolarHBondContact O-CB 3.39Å; P668-C676 HydrophobicContact CG-CB 4.13Å; W671-C676 VanDerWaalsContact CB-SG 3.52Å; K673-C676 PolarHBondContact O-N 2.87Å; C674-C676 VanDerWaalsContact C-N 3.32Å; C676-W823 HydrophobicContact CB-CE3 4.41Å; C676-W823 HydrophobicContact CB-CZ3 3.84Å
677S96.1Very high95.8Very high16 Ų1638.7 Ų38.711%0.11219%0.186CC..  trans-77.6129.5171.61730000110.6R638 P640 N679R638-S677 PolarHBondContact O-N 3.46Å; P640-S677 WeakPolarHBondContact CD-O 3.47Å; S677-N679 PolarHBondContact O-N 2.98Å; S677-N679 VanDerWaalsContact OG-CB 3.31Å; S677-N679 WeakPolarHBondContact OG-CB 3.47Å; S677-N679 PolarHBondContact OG-N 2.77Å; S677-N679 VanDerWaalsContact OG-N 3.15Å
678R96.8Very high95.2Very high131 Ų13141.5 Ų41.549%0.49422%0.215SC..SBendtrans-76.3-4.5170.1-69.9-171.7168.7167.9-2.4114.5E822 W823R678-E822 VanDerWaalsContact CZ-O 3.22Å; R678-E822 PolarHBondContact NE-O 3.35Å; R678-E822 PolarHBondContact NH2-O 3.32Å; R678-W823 WeakPolarHBondContact CA-O 3.34Å
679N96.5Very high95Very high13 Ų1342.7 Ų42.77%0.0722%0.22CC..SBendtrans-82.2123.7179.3-154.716.3000108.2T487 R639 S677 L838 R839T487-N679 PolarHBondContact OG1-ND2 3.08Å; R639-N679 WeakPolarHBondContact CD-O 3.16Å; R639-N679 WeakPolarHBondContact CG-O 3.48Å; R639-N679 PolarHBondContact NE-O 2.85Å; S677-N679 PolarHBondContact O-N 2.98Å; S677-N679 VanDerWaalsContact OG-CB 3.31Å; S677-N679 WeakPolarHBondContact OG-CB 3.47Å; S677-N679 PolarHBondContact OG-N 2.77Å; S677-N679 VanDerWaalsContact OG-N 3.15Å; N679-L838 WeakPolarHBondContact OD1-CA 3.49Å; N679-L838 WeakPolarHBondContact OD1-CD1 3.44Å; N679-R839 PolarHBondContact ND2-O 3.43Å; N679-R839 PolarHBondContact OD1-N 2.93Å
680P97.9Very high94.9Very high1 Ų142.2 Ų42.21%0.00622%0.218CC..PPolyproline II helixtrans-80.3157.4-177.229.7-34000113.4R639 P640 I642 L793 L824 A836 L838R639-P680 PolarHBondContact NH2-O 3.44Å; P640-P680 CarbonylContact O-C 3.56Å; P640-P680 WeakPolarHBondContact O-CA 3.31Å; I642-P680 HydrophobicContact CD1-CB 3.6Å; I642-P680 HydrophobicContact CD1-CG 3.9Å; I642-P680 HydrophobicContact CG1-CB 3.92Å; P680-L793 HydrophobicContact CG-CD1 3.7Å; P680-L824 HydrophobicContact CB-CD2 3.9Å; P680-L824 HydrophobicContact CG-CD2 4.21Å; P680-A836 HydrophobicContact CG-CB 4.46Å; P680-L838 WeakPolarHBondContact O-CD1 3.37Å
681I98.5Very high95Very high3 Ų340.1 Ų40.12%0.01521%0.207CC..EExtended strand (participates in β ladder)trans-91.1144.3158-58.9175.9000107.5V555 A558 C559 L637 R639 P640 I641 I642 L683V555-I681 HydrophobicContact CG1-CD1 4.41Å; A558-I681 HydrophobicContact CB-CG2 3.77Å; C559-I681 VanDerWaalsContact SG-CD1 3.52Å; L637-I681 HydrophobicContact CB-CD1 4.46Å; L637-I681 HydrophobicContact CD1-CD1 3.49Å; L637-I681 VanDerWaalsContact CD1-CD1 3.49Å; L637-I681 HydrophobicContact CG-CD1 4.47Å; R639-I681 HydrophobicContact CG-CD1 4.47Å; R639-I681 HydrophobicContact CG-CG1 4.16Å; P640-I681 PolarHBondContact O-N 2.73Å; I641-I681 HydrophobicContact CG1-CB 4.27Å; I641-I681 HydrophobicContact CG1-CD1 4.35Å; I641-I681 HydrophobicContact CG2-CB 4.41Å; I642-I681 PolarHBondContact N-O 2.92Å; I681-L683 HydrophobicContact CG2-CD2 4.05Å; I681-L683 HydrophobicContact CG2-CG 4.35Å
682V98.5Very high95.1Very high5 Ų538.3 Ų38.33%0.0320%0.2CC..EExtended strand (participates in β ladder)trans-124.2122.4-177-161.80000110.8L539 I642 Y644 L693 L793 L838L539-V682 HydrophobicContact CD1-CG1 4.16Å; I642-V682 WeakPolarHBondContact O-CA 3Å; Y644-V682 HydrophobicContact CD2-CG1 3.75Å; Y644-V682 HydrophobicContact CE2-CG1 3.61Å; V682-L693 HydrophobicContact CB-CB 4.21Å; V682-L693 HydrophobicContact CG1-CB 3.9Å; V682-L693 HydrophobicContact CG1-CD1 4.16Å; V682-L693 PolarHBondContact O-N 3.28Å; V682-L793 HydrophobicContact CG2-CD1 3.42Å; V682-L793 VanDerWaalsContact CG2-CD1 3.42Å; V682-L793 HydrophobicContact CG2-CD2 4.19Å; V682-L793 HydrophobicContact CG2-CG 4.46Å; V682-L838 HydrophobicContact CG2-CD2 4.35Å
683L98.6Very high95.3Very high0 Ų031.8 Ų31.80%017%0.169CC..EExtended strand (participates in β ladder)trans-123.9148.4-176.9-55-177.4000111.4L551 V555 I641 I642 V643 Y644 I681 T691 L693L551-L683 HydrophobicContact CD1-CD1 3.83Å; V555-L683 HydrophobicContact CG2-CD1 3.99Å; V555-L683 HydrophobicContact CG2-CD2 4.35Å; I641-L683 HydrophobicContact CG2-CD1 3.71Å; I641-L683 HydrophobicContact CG2-CG 3.97Å; I642-L683 PolarHBondContact O-N 2.97Å; V643-L683 WeakPolarHBondContact CA-O 3.35Å; V643-L683 HydrophobicContact CG2-CB 4.3Å; V643-L683 HydrophobicContact CG2-CD1 4.5Å; Y644-L683 PolarHBondContact N-O 3.38Å; I681-L683 HydrophobicContact CG2-CD2 4.05Å; I681-L683 HydrophobicContact CG2-CG 4.35Å; L683-T691 CarbonylContact C-O 3.54Å; L683-T691 WeakPolarHBondContact CA-O 3.48Å; L683-L693 VanDerWaalsContact C-CD1 3.49Å; L683-L693 WeakPolarHBondContact O-CD1 3.34Å
684G98Very high95.4Very high0 Ų027.6 Ų27.60%015%0.152CC..EExtended strand (participates in β ladder)trans-104.7137.8171.100000110.6Y644 F690 T691Y644-G684 CarbonylContact O-C 3.57Å; Y644-G684 VanDerWaalsContact O-CA 3.23Å; Y644-G684 WeakPolarHBondContact O-CA 3.32Å; G684-F690 CarbonylContact O-C 3.59Å; G684-F690 VanDerWaalsContact O-CA 3.31Å; G684-F690 WeakPolarHBondContact O-CA 3.49Å; G684-T691 PolarHBondContact N-O 3.19Å; G684-T691 PolarHBondContact O-N 3.18Å; G684-T691 PolarHBondContact O-OG1 3.24Å
685F96.5Very high95.5Very high8 Ų822.6 Ų22.64%0.03512%0.117CC..EExtended strand (participates in β ladder)trans-123.7122.3174.6-177.1-94.3000113.1V643 Y644 G645 V646 A660 F662 H689 F690V643-F685 HydrophobicContact CG1-CB 3.94Å; Y644-F685 PolarHBondContact O-N 2.95Å; G645-F685 WeakPolarHBondContact CA-O 3.47Å; V646-F685 HydrophobicContact CG2-CD1 4.39Å; V646-F685 PolarHBondContact N-O 3.11Å; V646-F685 VanDerWaalsContact N-O 3.07Å; A660-F685 HydrophobicContact CB-CD1 4.43Å; A660-F685 HydrophobicContact CB-CE1 4Å; F662-F685 HydrophobicContact CB-CB 4.26Å; F662-F685 HydrophobicContact CB-CD1 3.91Å; F662-F685 HydrophobicContact CB-CD2 4.26Å; F662-F685 HydrophobicContact CB-CE1 4.34Å; F662-F685 HydrophobicContact CB-CG 3.86Å; F662-F685 AromaticContact CD2-CD1 3.92Å; F662-F685 HydrophobicContact CD2-CD1 3.92Å; F662-F685 HydrophobicContact CD2-CD2 4.08Å; F662-F685 AromaticContact CD2-CE1 3.47Å; F662-F685 HydrophobicContact CD2-CE1 3.47Å; F662-F685 VanDerWaalsContact CD2-CE1 3.47Å; F662-F685 AromaticContact CD2-CE2 3.61Å; F662-F685 HydrophobicContact CD2-CE2 3.61Å; F662-F685 HydrophobicContact CD2-CG 4.21Å; F662-F685 AromaticContact CD2-CZ 3.27Å; F662-F685 HydrophobicContact CD2-CZ 3.27Å; F662-F685 HydrophobicContact CE2-CE1 4.15Å; F662-F685 AromaticContact CE2-CE2 3.84Å; F662-F685 HydrophobicContact CE2-CE2 3.84Å; F662-F685 AromaticContact CE2-CZ 3.53Å; F662-F685 HydrophobicContact CE2-CZ 3.53Å; F662-F685 HydrophobicContact CG-CD1 4.23Å; F662-F685 HydrophobicContact CG-CD2 4.12Å; F662-F685 HydrophobicContact CG-CE1 4.22Å; F662-F685 HydrophobicContact CG-CE2 4.07Å; F662-F685 HydrophobicContact CG-CG 4.18Å; F662-F685 HydrophobicContact CG-CZ 4.12Å; F662-F685 HydrophobicContact CZ-CE2 4.44Å; F685-H689 WeakPolarHBondContact CA-O 3.45Å; F685-F690 HydrophobicContact CB-CD1 4.35Å; F685-F690 HydrophobicContact CB-CE1 4.25Å; F685-F690 AromaticContact CD2-CD1 3.83Å; F685-F690 HydrophobicContact CD2-CD1 3.83Å; F685-F690 HydrophobicContact CD2-CD2 4.09Å; F685-F690 AromaticContact CD2-CE1 3.52Å; F685-F690 HydrophobicContact CD2-CE1 3.52Å; F685-F690 AromaticContact CD2-CE2 3.81Å; F685-F690 HydrophobicContact CD2-CE2 3.81Å; F685-F690 HydrophobicContact CD2-CG 4.11Å; F685-F690 AromaticContact CD2-CZ 3.5Å; F685-F690 HydrophobicContact CD2-CZ 3.5Å; F685-F690 HydrophobicContact CE2-CD2 4.33Å; F685-F690 HydrophobicContact CE2-CE1 4.3Å; F685-F690 AromaticContact CE2-CE2 3.83Å; F685-F690 HydrophobicContact CE2-CE2 3.83Å; F685-F690 AromaticContact CE2-CZ 3.81Å; F685-F690 HydrophobicContact CE2-CZ 3.81Å; F685-F690 HydrophobicContact CG-CE1 4.26Å
686T92.9Very high95.4Very high8 Ų821.2 Ų21.25%0.04911%0.108CC..EExtended strand (participates in β ladder)trans-139.3132.6178.153.30000110A514 E517 L518 V646 G688 H689A514-T686 HydrophobicContact CB-CG2 4.36Å; E517-T686 HydrophobicContact CB-CG2 4.08Å; E517-T686 HydrophobicContact CG-CG2 3.94Å; L518-T686 HydrophobicContact CD1-CG2 4.17Å; L518-T686 HydrophobicContact CD2-CG2 3.69Å; L518-T686 HydrophobicContact CG-CG2 3.58Å; V646-T686 HydrophobicContact CG1-CG2 4.41Å; T686-G688 VanDerWaalsContact C-N 3.26Å; T686-G688 PolarHBondContact O-N 3.07Å; T686-H689 PolarHBondContact N-O 3.05Å; T686-H689 WeakPolarHBondContact O-CA 3.49Å; T686-H689 WeakPolarHBondContact O-CB 3.22Å; T686-H689 PolarHBondContact O-N 3.18Å
687R83.7Confident95Very high146 Ų14623.1 Ų23.155%0.55112%0.116SC*.THydrogen-bonded Turntrans44.139.5167.5-53.2-174.5-170.6-1796.2116.5E517 E521E517-R687 IonicContact OE1-CZ 2.92Å; E517-R687 IonicContact OE1-NE 2.78Å; E517-R687 PolarHBondContact OE1-NE 3.34Å; E517-R687 IonicContact OE1-NH2 3.15Å; E517-R687 PolarHBondContact OE1-NH2 2.93Å; E517-R687 IonicContact OE2-CZ 2.68Å; E517-R687 IonicContact OE2-NE 3.13Å; E517-R687 PolarHBondContact OE2-NE 3.35Å; E517-R687 IonicContact OE2-NH2 3.23Å; E521-R687 IonicContact OE1-NH2 2.95Å
688G86.7Confident94.4Very high59 Ų5924.3 Ų24.361%0.60812%0.123SC*.THydrogen-bonded Turntrans82.815.6-178.500000115T686T686-G688 VanDerWaalsContact C-N 3.26Å; T686-G688 PolarHBondContact O-N 3.07Å
689H92.3Very high93.5Very high25 Ų2521.2 Ų21.212%0.11612%0.121CC..EExtended strand (participates in β ladder)trans-128.7135.3-177.4-170.158.6000111.4N544 C550 F685 T686N544-H689 PolarHBondContact OD1-CE1 3.33Å; C550-H689 WeakPolarHBondContact CB-ND1 3.27Å; F685-H689 WeakPolarHBondContact CA-O 3.45Å; T686-H689 PolarHBondContact N-O 3.05Å; T686-H689 WeakPolarHBondContact O-CA 3.49Å; T686-H689 WeakPolarHBondContact O-CB 3.22Å; T686-H689 PolarHBondContact O-N 3.18Å
690F96.8Very high92.1Very high8 Ų825 Ų254%0.03515%0.146CC..EExtended strand (participates in β ladder)trans-99.2143.9173.1-68.4-87000110.9N544 C550 L551 S554 I630 F662 G684 F685N544-F690 PolarHBondContact ND2-O 2.85Å; C550-F690 PolarHBondContact SG-N 2.72Å; C550-F690 VanDerWaalsContact SG-N 3.44Å; L551-F690 HydrophobicContact CB-CB 4.48Å; L551-F690 HydrophobicContact CB-CD2 3.7Å; L551-F690 HydrophobicContact CB-CE2 4.11Å; L551-F690 HydrophobicContact CB-CG 4.11Å; L551-F690 HydrophobicContact CD1-CD1 3.88Å; L551-F690 HydrophobicContact CD1-CD2 4.16Å; L551-F690 HydrophobicContact CD1-CE1 4.01Å; L551-F690 HydrophobicContact CD1-CE2 4.28Å; L551-F690 HydrophobicContact CD1-CG 3.95Å; L551-F690 HydrophobicContact CD1-CZ 4.21Å; L551-F690 HydrophobicContact CG-CD2 4.44Å; S554-F690 PolarHBondContact OG-O 3.21Å; I630-F690 HydrophobicContact CD1-CE1 3.69Å; I630-F690 HydrophobicContact CD1-CZ 3.75Å; F662-F690 HydrophobicContact CD1-CE1 4.19Å; F662-F690 AromaticContact CD1-CZ 3.61Å; F662-F690 HydrophobicContact CD1-CZ 3.61Å; F662-F690 HydrophobicContact CE1-CE2 4.44Å; F662-F690 AromaticContact CE1-CZ 3.71Å; F662-F690 HydrophobicContact CE1-CZ 3.71Å; F662-F690 HydrophobicContact CG-CZ 4.17Å; F662-F690 HydrophobicContact CZ-CZ 4.39Å; G684-F690 CarbonylContact O-C 3.59Å; G684-F690 VanDerWaalsContact O-CA 3.31Å; G684-F690 WeakPolarHBondContact O-CA 3.49Å; F685-F690 HydrophobicContact CB-CD1 4.35Å; F685-F690 HydrophobicContact CB-CE1 4.25Å; F685-F690 AromaticContact CD2-CD1 3.83Å; F685-F690 HydrophobicContact CD2-CD1 3.83Å; F685-F690 HydrophobicContact CD2-CD2 4.09Å; F685-F690 AromaticContact CD2-CE1 3.52Å; F685-F690 HydrophobicContact CD2-CE1 3.52Å; F685-F690 AromaticContact CD2-CE2 3.81Å; F685-F690 HydrophobicContact CD2-CE2 3.81Å; F685-F690 HydrophobicContact CD2-CG 4.11Å; F685-F690 AromaticContact CD2-CZ 3.5Å; F685-F690 HydrophobicContact CD2-CZ 3.5Å; F685-F690 HydrophobicContact CE2-CD2 4.33Å; F685-F690 HydrophobicContact CE2-CE1 4.3Å; F685-F690 AromaticContact CE2-CE2 3.83Å; F685-F690 HydrophobicContact CE2-CE2 3.83Å; F685-F690 AromaticContact CE2-CZ 3.81Å; F685-F690 HydrophobicContact CE2-CZ 3.81Å; F685-F690 HydrophobicContact CG-CE1 4.26Å
691T97.5Very high90Very high0 Ų031.2 Ų31.20%018%0.178CC..EExtended strand (participates in β ladder)trans-131.9149.7172.651.90000110.7D511 A514 L542 S554 L683 G684D511-T691 HydrophobicContact CB-CG2 4.37Å; A514-T691 HydrophobicContact CB-CG2 3.99Å; L542-T691 WeakPolarHBondContact O-CB 3.5Å; S554-T691 VanDerWaalsContact OG-C 3.32Å; S554-T691 VanDerWaalsContact OG-CA 3.22Å; S554-T691 WeakPolarHBondContact OG-CA 3.09Å; S554-T691 PolarHBondContact OG-N 2.94Å; L683-T691 CarbonylContact C-O 3.54Å; L683-T691 WeakPolarHBondContact CA-O 3.48Å; G684-T691 PolarHBondContact N-O 3.19Å; G684-T691 PolarHBondContact O-N 3.18Å; G684-T691 PolarHBondContact O-OG1 3.24Å
692A98.3Very high87.3Confident0 Ų035.7 Ų35.70%021%0.21CC..EExtended strand (participates in β ladder)trans-77.4127.2171.600000110F540 A541 L542 S554 Q557 A558 V694F540-A692 VanDerWaalsContact O-O 3.13Å; A541-A692 WeakPolarHBondContact CA-O 3.28Å; L542-A692 HydrophobicContact CB-CB 4.2Å; L542-A692 HydrophobicContact CD1-CB 4.19Å; L542-A692 HydrophobicContact CG-CB 4.33Å; L542-A692 PolarHBondContact N-O 2.95Å; S554-A692 WeakPolarHBondContact O-CB 3.15Å; Q557-A692 HydrophobicContact CB-CB 3.68Å; A558-A692 HydrophobicContact CB-CB 4.07Å; A692-V694 HydrophobicContact CB-CG1 4.33Å
693L98.1Very high84.1Confident4 Ų441 Ų412%0.02125%0.247CC..EExtended strand (participates in β ladder)trans-100.3103.1176-73175.9000110.3L518 I525 L539 F540 A541 Y644 V682 L683L518-L693 HydrophobicContact CD1-CD2 4.34Å; I525-L693 HydrophobicContact CD1-CD2 3.91Å; I525-L693 HydrophobicContact CG2-CD1 3.66Å; I525-L693 HydrophobicContact CG2-CD2 4.45Å; L539-L693 HydrophobicContact CB-CB 4.31Å; L539-L693 HydrophobicContact CB-CD2 4.39Å; L539-L693 HydrophobicContact CD1-CB 4.31Å; L539-L693 HydrophobicContact CD1-CD1 4.44Å; F540-L693 WeakPolarHBondContact O-CA 3.32Å; A541-L693 HydrophobicContact CB-CD2 3.97Å; Y644-L693 HydrophobicContact CD2-CD1 3.9Å; V682-L693 HydrophobicContact CB-CB 4.21Å; V682-L693 HydrophobicContact CG1-CB 3.9Å; V682-L693 HydrophobicContact CG1-CD1 4.16Å; V682-L693 PolarHBondContact O-N 3.28Å; L683-L693 VanDerWaalsContact C-CD1 3.49Å; L683-L693 WeakPolarHBondContact O-CD1 3.34Å
694V96.3Very high80.9Confident2 Ų246.6 Ų46.61%0.01229%0.286CS..EExtended strand (participates in β ladder)trans-116.3144.1-173.4-55.90000112.1F488 L490 F540 L542 A692F488-V694 HydrophobicContact CD1-CG1 4.22Å; L490-V694 HydrophobicContact CD1-CG2 4.02Å; L490-V694 HydrophobicContact CD2-CG2 4.33Å; L490-V694 HydrophobicContact CG-CG2 3.77Å; F540-V694 PolarHBondContact N-O 3.22Å; F540-V694 PolarHBondContact O-N 3.24Å; L542-V694 HydrophobicContact CD1-CG1 3.91Å; L542-V694 HydrophobicContact CD1-CG2 3.83Å; L542-V694 HydrophobicContact CD2-CG2 3.66Å; L542-V694 HydrophobicContact CG-CG1 4.29Å; L542-V694 HydrophobicContact CG-CG2 3.68Å; A692-V694 HydrophobicContact CB-CG1 4.33Å
695P94.3Very high77.6Confident2 Ų249.4 Ų49.41%0.01332%0.316CS..EExtended strand (participates in β ladder)trans-83167.5173.434.5-34.6000111.9A489 L490 L539 V791 L838 L840A489-P695 HydrophobicContact CB-CG 4.19Å; L490-P695 PolarHBondContact N-O 3.4Å; L539-P695 HydrophobicContact CD2-CB 4.43Å; P695-V791 HydrophobicContact CB-CG1 4.2Å; P695-V791 HydrophobicContact CB-CG2 3.79Å; P695-V791 HydrophobicContact CG-CG2 3.87Å; P695-L838 HydrophobicContact CG-CD2 4.2Å; P695-L840 HydrophobicContact CG-CD1 4.35Å; P695-L840 HydrophobicContact CG-CD2 4.03Å
696I92Very high74.3Confident3 Ų355.3 Ų55.32%0.01535%0.352CS..BIsolated β-bridgetrans-88.5135.1157-63.3169000108.2L490 T495 F540L490-I696 HydrophobicContact CB-CB 4.48Å; L490-I696 HydrophobicContact CB-CG1 3.86Å; L490-I696 HydrophobicContact CD1-CG1 4.26Å; L490-I696 CarbonylContact O-C 3.05Å; L490-I696 WeakPolarHBondContact O-CA 3.49Å; T495-I696 HydrophobicContact CG2-CD1 4.47Å; T495-I696 HydrophobicContact CG2-CG2 3.82Å; F540-I696 HydrophobicContact CD2-CD1 4.33Å; F540-I696 HydrophobicContact CD2-CG1 4.09Å; F540-I696 HydrophobicContact CE2-CD1 3.48Å; F540-I696 VanDerWaalsContact CE2-CD1 3.48Å; F540-I696 HydrophobicContact CE2-CG1 3.62Å; F540-I696 HydrophobicContact CZ-CD1 3.59Å; F540-I696 HydrophobicContact CZ-CG1 4.24Å
697E89.1Confident71.2Confident52 Ų5260.8 Ų60.824%0.24339%0.389CS..PPolyproline II helixtrans-53.6137174.3-70.2166.3-177.500111.5A489 L490 P491 Y492 L840 K843A489-E697 HydrophobicContact CB-CG 3.85Å; L490-E697 PolarHBondContact O-N 3.19Å; P491-E697 WeakPolarHBondContact CA-OE2 3.36Å; Y492-E697 PolarHBondContact N-OE2 2.84Å; E697-L840 HydrophobicContact CG-CD1 4.26Å; E697-K843 VanDerWaalsContact OE1-CE 3.23Å; E697-K843 WeakPolarHBondContact OE1-CE 3.46Å; E697-K843 IonicContact OE1-NZ 2.71Å; E697-K843 PolarHBondContact OE1-NZ 2.84Å
698P83.1Confident68.6Low41 Ų4158.4 Ų58.427%0.26640%0.395SS..PPolyproline II helixtrans-64.7155.6172.329.5-33.9000110.6A789P698-A789 HydrophobicContact CG-CB 3.42Å; P698-A789 VanDerWaalsContact CG-CB 3.42Å
699C78.2Confident65.9Low66 Ų6664.6 Ų64.645%0.44641%0.408SS..PPolyproline II helixtrans-54.8125.7174.5-174.40000110.1Y492 L701Y492-C699 HydrophobicContact CD1-CB 4.48Å; Y492-C699 HydrophobicContact CD2-CB 4.12Å; Y492-C699 HydrophobicContact CE1-CB 3.97Å; Y492-C699 VanDerWaalsContact CE1-SG 3.53Å; Y492-C699 HydrophobicContact CE2-CB 3.59Å; C699-L701 PolarHBondContact O-N 2.84Å
700P67.5Low63.1Low92 Ų9268.6 Ų68.660%0.59744%0.439SS*.PPolyproline II helixtrans-63.2122.3175.426.1-32.9000109S702P700-S702 PolarHBondContact O-N 3.12Å
701L54.1Low60.2Low131 Ų13174.8 Ų74.869%0.68648%0.477SS*.  trans-7284171-69.3170.8000108.4C699 S703C699-L701 PolarHBondContact O-N 2.84Å; L701-S703 PolarHBondContact O-N 3.25Å
702S40.5Very low57.3Low97 Ų9779 Ų7968%0.67851%0.512SS*.  trans-54.2128160.253.70000107.7P700 S704P700-S702 PolarHBondContact O-N 3.12Å; S702-S704 PolarHBondContact O-N 3.2Å
703S31.2Very low54.3Low116 Ų11686.8 Ų86.881%0.81155%0.554SS**  trans-44113.6176.6500000110.3L701 G705L701-S703 PolarHBondContact O-N 3.25Å; S703-G705 PolarHBondContact O-N 2.95Å
704S31.7Very low51.5Low118 Ų11892.1 Ų92.183%0.82559%0.587SS**  trans-67.682.2179.8-610000110.3S702S702-S704 PolarHBondContact O-N 3.2Å
705G29.4Very low48.7Very low60 Ų6097.8 Ų97.862%0.61962%0.617SS**  trans-57.9134155.300000108.2S703 C707S703-G705 PolarHBondContact O-N 2.95Å; G705-C707 PolarHBondContact O-N 2.79Å
706V27.1Very low46Very low132 Ų132105.6 Ų105.680%0.865%0.653SS**  trans-59.8108.7-179.2177.90000109.6
707C27.2Very low43.3Very low122 Ų122110.9 Ų110.982%0.82469%0.686SS**  trans-119.990.9162-71.70000107.8G705G705-C707 PolarHBondContact O-N 2.79Å
708S28.7Very low41Very low96 Ų96114.7 Ų114.767%0.67171%0.713SS**  trans-54.4133.5169.9-42.20000109.8S710S708-S710 VanDerWaalsContact C-N 3.33Å; S708-S710 PolarHBondContact O-N 3.3Å
709E30.8Very low38.5Very low190 Ų190116.3 Ų116.389%0.88874%0.737SS**  trans-67.295.3165.8-73.8179.9137.100108.6T711E709-T711 PolarHBondContact O-N 2.79Å; E709-T711 VanDerWaalsContact O-N 3.11Å
710S33.2Very low36.6Very low109 Ų109119.9 Ų119.976%0.76276%0.757SS**  trans-79.186.2172.358.60000109.3S708 A712S708-S710 VanDerWaalsContact C-N 3.33Å; S708-S710 PolarHBondContact O-N 3.3Å; S710-A712 PolarHBondContact O-N 2.75Å
711T36.5Very low34.8Very low138 Ų138120.7 Ų120.785%0.84776%0.76SS**  trans-66.796.4166.3-33.40000108.2E709 D713E709-T711 PolarHBondContact O-N 2.79Å; E709-T711 VanDerWaalsContact O-N 3.11Å; T711-D713 PolarHBondContact O-N 2.69Å
712A35.2Very low33.9Very low89 Ų89124 Ų12474%0.73677%0.769SS**  trans-85101.5174.800000109.1S710S710-A712 PolarHBondContact O-N 2.75Å
713D36.9Very low33.6Very low162 Ų162124.7 Ų124.787%0.86677%0.774SS**  trans-143.5137.3152.2-111-33.9000112.1T711T711-D713 PolarHBondContact O-N 2.69Å
714T38.2Very low33.9Very low117 Ų117124.3 Ų124.372%0.71877%0.769SS**  trans-90.6126.4-156.5-62.30000112.3
715N37.6Very low33.9Very low121 Ų121130.2 Ų130.265%0.64778%0.775SS**  174.6132.7121.5-94.3-53.8000114.5
716Q37.7Very low34.3Very low166 Ų166131.6 Ų131.678%0.77678%0.781SS**  trans29.7130.5137.8-50.9173.852.500118.2
717T36.1Very low34.8Very low113 Ų113130.8 Ų130.869%0.69378%0.78SS**  cis-167.5140.446.1-38.10000112.9
718T39.3Very low35.4Very low132 Ų132131.1 Ų131.181%0.8178%0.781SS**  trans50.1116.9153.653.70000123.9
719G32.2Very low35.6Very low76 Ų76137.5 Ų137.578%0.78479%0.791SS**  trans82.2142.1137.700000118.2
720V36.7Very low35.8Very low141 Ų141134.6 Ų134.686%0.85579%0.786SS**  cis-146145.91.2-178.30000110
721T30.1Very low36.1Very low108 Ų108135.2 Ų135.266%0.66379%0.791SS**  trans-32.7138.5168.7-42.90000116.7
722F35.5Very low36.1Very low202 Ų202134.2 Ų134.289%0.88679%0.789SS**  -173.7157.2108.3-103.4-74.3000114.5
723S34.5Very low36.2Very low111 Ų111139.9 Ų139.978%0.77679%0.792SS**  trans-87.7163.5-166-116.60000115
724P37.3Very low36.3Very low108 Ų108141.2 Ų141.270%0.70178%0.784SS**  trans-90.9153.1-17937-33.8000112.9
725Y32.3Very low36.2Very low241 Ų241144.2 Ų144.295%0.94579%0.79SS**  trans-175.6169.4144-112.2-73.8000111.5
726A38.1Very low36.2Very low90 Ų90144.1 Ų144.174%0.74480%0.799SS**  trans91.3115.2165.600000118.9
727S36.5Very low36.3Very low114 Ų114142 Ų14280%0.79780%0.799SS**  trans-69.8170154.7-44.20000110.9
728P40.3Very low36.3Very low130 Ų130143 Ų14384%0.84481%0.806SS**  -141.2163.5116.727.1-8.8000115.3
729R32.5Very low36.6Very low229 Ų229142.6 Ų142.686%0.86481%0.805SS**  trans-90170.2171.2-71.2178.4161.6-164.9-3.3111.8
730T35.5Very low36.8Very low130 Ų130146.5 Ų146.580%0.79881%0.807SS**  trans78.7127.9154.171.60000119.1
731S39.2Very low36.7Very low122 Ų122146 Ų14685%0.85380%0.8SS**  -175.6130.1123.2-810000111.4
732S36Very low37.1Very low117 Ų117150 Ų15082%0.81881%0.811SS**  trans-91.2149-177.4-48.60000113.3
733R38.8Very low37.1Very low208 Ų208146.2 Ų146.279%0.78580%0.804SS**  trans171.4148151.9-99.1160-176.2-159.82109.5
734R38.3Very low37.1Very low189 Ų189145.8 Ų145.871%0.71380%0.802SS**  cis-158.5164.2-8.3-140.6-177.2-54.8-151.411109.3
735H35Very low37.1Very low180 Ų180146.9 Ų146.983%0.83380%0.801SS**  trans-59.8162178.1-57.5-96.9000115.7
736S38.8Very low37.1Very low120 Ų120144.7 Ų144.784%0.83979%0.793SS**  trans-178.3164.7132.8-82.10000111.6
737P40.1Very low37Very low121 Ų121146.2 Ų146.279%0.78679%0.793SS**  trans-122.8179.8-13436.5-20.7000117.6
738T35.3Very low37Very low134 Ų134148.1 Ų148.182%0.82279%0.789SS**  trans-69153.1170.445.10000114.2
739P46.8Very low36.8Very low123 Ų123147.9 Ų147.980%0.79979%0.785SS**  trans-114.2144.4154.633-20000113.7
740L35.7Very low37.1Very low159 Ų159142.7 Ų142.783%0.83278%0.781SS**  trans-71.3176.5154.7-60.8140.4000108.2
741D34.9Very low37Very low130 Ų130143.9 Ų143.970%0.69578%0.782SS**  cis-161.3165.610.1-140-31.2000106.8
742E37.9Very low37Very low192 Ų192144.5 Ų144.590%0.89778%0.781SS**  trans170.5134135.2-96.3-178169.600114.1
743T34.8Very low37Very low122 Ų122144.3 Ų144.375%0.74878%0.775SS**  trans-75.7151.7-17449.30000114.2
744S35.9Very low37.1Very low103 Ų103140.7 Ų140.772%0.7278%0.775SS**  160.4161.395.951.10000109
745N36.4Very low37.2Very low130 Ų130137.3 Ų137.370%0.69578%0.778SS**  cis-164.9143.3-7.4-112.3-13.5000109.7
746Y32.4Very low37.5Very low196 Ų196134.5 Ų134.577%0.76978%0.776SS**  trans50.8142.4154.7-67.5-103.4000120.3
747T36.8Very low37.5Very low121 Ų121134.1 Ų134.174%0.74277%0.773SS**  cis-160.315243.2-43.50000113.7
748Q34.8Very low37.4Very low154 Ų154134.7 Ų134.772%0.7278%0.775SS**  trans-25.9142.1171.9-76.2150.4-43.400120.6
749V37.5Very low37.2Very low125 Ų125133 Ų13376%0.75877%0.769SS**  80.6142.860.8159.90000112
750P39.1Very low36.7Very low121 Ų121135.3 Ų135.379%0.78677%0.773SS**  cis-138.1174.332.124.62000120.9
751L33.4Very low36.5Very low155 Ų155132.7 Ų132.781%0.81277%0.768SS**  trans-78.6163.7170.8-83.263.9000114.7
752T38.3Very low36.4Very low134 Ų134136 Ų13682%0.82278%0.779SS**  trans-138.7114.3134.2400000109.7
753T36.2Very low36.1Very low113 Ų113133.2 Ų133.269%0.69378%0.775SS**  79.99489.9-48.60000113.1
754V40.5Very low36.1Very low132 Ų132136.5 Ų136.580%0.878%0.782SS**  76.7146.882.4166.20000112.7
755P40.4Very low35.7Very low118 Ų118139.3 Ų139.377%0.76679%0.788SS**  cis-133.4-177.916.922.94000118.5
756P41.4Very low35.5Very low121 Ų121139.7 Ų139.779%0.78680%0.795SS**  trans-121.7172.1-176.543.2-31.4000116.9
757S38.3Very low35.2Very low113 Ų113136 Ų13679%0.7980%0.798SS**  trans-170.5149.7158.341.70000108.9
758T37.9Very low35Very low133 Ų133134.3 Ų134.382%0.81679%0.791SS**  cis-149.2160.75.4-100000110.7
759S32.2Very low34.7Very low99 Ų99133.4 Ų133.469%0.69280%0.796SS**  trans-61.1158.2174.151.10000113.1
760L36.2Very low34.6Very low171 Ų171137 Ų13790%0.89580%0.804SS**  -151.3149.177.4-86.4161.3000114
761S31Very low34.2Very low103 Ų103136.1 Ų136.172%0.7280%0.802SS**  trans-101.1145.1-178.651.40000112
762E33.4Very low34.2Very low200 Ų200133.4 Ų133.494%0.93580%0.795SS**  trans-154.8121.7141.3-122.9166.2-159.500112.5
763T30.7Very low34.1Very low133 Ų133135.9 Ų135.982%0.81680%0.803SS**  trans-94.6129.717241.50000110.2
764Q34.8Very low33.9Very low192 Ų192136.8 Ų136.890%0.89781%0.808SS**  trans-166155.4138.1-112.3171.531.200114
765L28.1Very low33.7Very low162 Ų162136.4 Ų136.485%0.84881%0.811SS**  trans-69.1137.8175-66.765.1000110.8
766V32Very low33.3Very low138 Ų138137 Ų13784%0.83682%0.817SS**  trans-148.2141.1137-160.50000110.5
767S26.5Very low32.8Very low118 Ų118134.5 Ų134.583%0.82581%0.813SS**  trans-105112.4169.855.10000111.2
768S32.9Very low32.5Very low86 Ų86136.3 Ų136.360%0.60182%0.819SS**  trans-169.3110170.940.80000108.6
769T28Very low32Very low134 Ų134136.9 Ų136.982%0.82282%0.823SS**  45.499.295.360.30000114.3
770E34.6Very low32Very low200 Ų200140.2 Ų140.294%0.93583%0.832SS**  trans-123.9139.1152.7-75.5-160.2145.700110.6
771S31.8Very low31.6Very low104 Ų104138.1 Ų138.173%0.72783%0.829SS**  trans-119.1167.3-175.8-60.30000109.4
772S33.1Very low31.6Very low97 Ų97136.4 Ų136.468%0.67883%0.828SS**  trans61.4103.1153.8510000118.7
773L35.3Very low31.4Very low187 Ų187132 Ų13298%0.97983%0.826SS**  -109.9118.1126.2-81.8166.5000107.9
774T33.3Very low31.4Very low132 Ų132132.9 Ų132.981%0.8182%0.824SS**  trans-102.4139.4-174.241.70000111.8
775S35.7Very low31.3Very low123 Ų123128.7 Ų128.786%0.8682%0.815SS**  trans-153.2139.7153.9-173.20000109.5
776C33.1Very low32Very low131 Ų131126.9 Ų126.989%0.88580%0.802SS**  trans-46.3151.4-170.7-57.60000115.9
777G29.4Very low32.8Very low68 Ų68127.3 Ų127.370%0.70180%0.795SS**  cis143.8109.2-2.200000112.9
778T33Very low34.3Very low151 Ų151124.6 Ų124.693%0.92677%0.772SS**  trans-168.7127.3151.417.30000108.9
779T27.6Very low36.6Very low145 Ų145121.8 Ų121.889%0.8975%0.754SS**  trans-86.4121.8-17536.90000112.6
780L31.8Very low39.4Very low169 Ų169118 Ų11889%0.88573%0.726SS**  trans-110.3121.7164.6-103156.2000108.8G782L780-G782 PolarHBondContact O-N 2.86Å
781P28.5Very low42.1Very low128 Ų128108.4 Ų108.483%0.83168%0.681SS**SBendtrans-80.4115.518030.9-32.1000110.5
782G29.7Very low45Very low67 Ų67108.1 Ų108.169%0.69167%0.665SS**  trans1747178.800000118.7L780 I784L780-G782 PolarHBondContact O-N 2.86Å; G782-I784 PolarHBondContact O-N 2.97Å
783A29.3Very low47.9Very low108 Ų108103.5 Ų103.589%0.89363%0.633SS**  trans-74.772.5-179.400000112.4S785A783-S785 PolarHBondContact O-N 3.34Å
784I31.7Very low50.8Low151 Ų15194.7 Ų94.777%0.77459%0.587SS**  trans-62127.8166.8-61.6173.9000107.8G782 Q786G782-I784 PolarHBondContact O-N 2.97Å; I784-Q786 PolarHBondContact O-N 3.21Å
785S31.4Very low53.9Low104 Ų10488.4 Ų88.473%0.72755%0.548SS*.  trans-54.5103.9176178.30000110.7A783 Q787A783-S785 PolarHBondContact O-N 3.34Å; S785-Q787 VanDerWaalsContact C-N 3.33Å; S785-Q787 PolarHBondContact O-N 3.05Å
786Q42.7Very low56.7Low123 Ų12382.8 Ų82.858%0.57551%0.509SS*.  trans-67.192.9172.4-71.9-177.7-3.200108.4I784 N788I784-Q786 PolarHBondContact O-N 3.21Å; Q786-N788 PolarHBondContact O-N 2.82Å
787Q50Low59.6Low147 Ų14777.2 Ų77.269%0.68747%0.47SS*.  trans-59.1114.1164.1-74.8-171.6-3.400107.8S785 A789S785-Q787 VanDerWaalsContact C-N 3.33Å; S785-Q787 PolarHBondContact O-N 3.05Å; Q787-A789 PolarHBondContact O-N 2.89Å
788N57.9Low62.5Low61 Ų6180.5 Ų80.533%0.32646%0.461SS..  trans-57.7112.7-174.3-70.4-45.4000110.8Q786 F790 R839Q786-N788 PolarHBondContact O-N 2.82Å; N788-F790 HydrophobicContact CB-CD2 4.23Å; N788-F790 HydrophobicContact CB-CE1 4.28Å; N788-F790 HydrophobicContact CB-CE2 3.55Å; N788-F790 HydrophobicContact CB-CZ 3.59Å; N788-F790 WeakPolarHBondContact O-CD2 2.9Å; N788-F790 WeakPolarHBondContact O-CE2 3.32Å; N788-F790 PolarHBondContact O-N 3.05Å; N788-R839 HydrophobicContact CB-CG 4.34Å; N788-R839 PolarHBondContact ND2-NE 3.06Å; N788-R839 PolarHBondContact ND2-NH2 3.11Å; N788-R839 PolarHBondContact OD1-NE 3.13Å; N788-R839 PolarHBondContact OD1-NH2 2.86Å
789A80.9Confident65.4Low28 Ų2879.8 Ų79.823%0.23145%0.447CS..EExtended strand (participates in β ladder)trans-69.8113.2172.100000108.9P698 Q787 L840P698-A789 HydrophobicContact CG-CB 3.42Å; P698-A789 VanDerWaalsContact CG-CB 3.42Å; Q787-A789 PolarHBondContact O-N 2.89Å; A789-L840 HydrophobicContact CB-CB 4.04Å; A789-L840 HydrophobicContact CB-CD1 4.33Å; A789-L840 HydrophobicContact CB-CG 4.45Å; A789-L840 PolarHBondContact O-N 3.45Å
790F87Confident68.4Low53 Ų5374.6 Ų74.623%0.23242%0.422CS..EExtended strand (participates in β ladder)trans-105.9141.9177.1-64.1-74.5000111.7N788 R837 L838 R839N788-F790 HydrophobicContact CB-CD2 4.23Å; N788-F790 HydrophobicContact CB-CE1 4.28Å; N788-F790 HydrophobicContact CB-CE2 3.55Å; N788-F790 HydrophobicContact CB-CZ 3.59Å; N788-F790 WeakPolarHBondContact O-CD2 2.9Å; N788-F790 WeakPolarHBondContact O-CE2 3.32Å; N788-F790 PolarHBondContact O-N 3.05Å; F790-R837 HydrophobicContact CD1-CB 3.92Å; F790-R837 HydrophobicContact CE1-CB 4.4Å; F790-L838 WeakPolarHBondContact CA-O 3.49Å; F790-R839 HydrophobicContact CD1-CB 4.07Å; F790-R839 HydrophobicContact CD1-CG 4.38Å; F790-R839 HydrophobicContact CE1-CB 3.9Å; F790-R839 HydrophobicContact CE1-CG 3.95Å
791V90.7Very high71.4Confident0 Ų070.8 Ų70.80%041%0.406CS..EExtended strand (participates in β ladder)trans-115.4138167.61770000108.1S536 P695 L793 L838 L840S536-V791 VanDerWaalsContact O-CG2 3.31Å; S536-V791 WeakPolarHBondContact O-CG2 3.44Å; P695-V791 HydrophobicContact CB-CG1 4.2Å; P695-V791 HydrophobicContact CB-CG2 3.79Å; P695-V791 HydrophobicContact CG-CG2 3.87Å; V791-L793 HydrophobicContact CG1-CD2 4.35Å; V791-L838 HydrophobicContact CB-CB 4.15Å; V791-L838 HydrophobicContact CB-CD2 4.25Å; V791-L838 HydrophobicContact CB-CG 4.46Å; V791-L838 PolarHBondContact N-O 3.04Å; V791-L838 PolarHBondContact O-N 3.18Å; V791-L840 HydrophobicContact CG2-CD1 4.08Å; V791-L840 HydrophobicContact CG2-CG 4.32Å
792Y92.5Very high74.6Confident97 Ų9766.9 Ų66.938%0.3838%0.378SS..EExtended strand (participates in β ladder)trans-102.1127.1-176.9-59.5-84.4000110.8V827 L835 R837Y792-V827 HydrophobicContact CD1-CG2 3.94Å; Y792-V827 HydrophobicContact CE1-CG2 3.95Å; Y792-L835 HydrophobicContact CD1-CD1 4.28Å; Y792-L835 HydrophobicContact CG-CD1 4.44Å; Y792-R837 HydrophobicContact CD1-CG 4.1Å; Y792-R837 HydrophobicContact CE1-CG 3.9Å
793L95.4Very high77.7Confident0 Ų063.9 Ų63.90%035%0.346CS..EExtended strand (participates in β ladder)trans-117.7114.2-175.5-58.3175.1000109.4L539 I642 P680 V682 V791 L795 L835 A836 L838L539-L793 HydrophobicContact CD1-CD2 3.97Å; L539-L793 HydrophobicContact CD2-CD2 4.1Å; I642-L793 HydrophobicContact CD1-CD1 4.23Å; P680-L793 HydrophobicContact CG-CD1 3.7Å; V682-L793 HydrophobicContact CG2-CD1 3.42Å; V682-L793 VanDerWaalsContact CG2-CD1 3.42Å; V682-L793 HydrophobicContact CG2-CD2 4.19Å; V682-L793 HydrophobicContact CG2-CG 4.46Å; V791-L793 HydrophobicContact CG1-CD2 4.35Å; L793-L795 PolarHBondContact O-N 2.67Å; L793-L835 CarbonylContact O-C 3.43Å; L793-L835 WeakPolarHBondContact O-CA 3.46Å; L793-A836 HydrophobicContact CB-CB 4.44Å; L793-A836 PolarHBondContact N-O 3.14Å; L793-A836 PolarHBondContact O-N 3.04Å; L793-L838 HydrophobicContact CD1-CB 3.84Å; L793-L838 HydrophobicContact CD1-CD2 4.38Å; L793-L838 HydrophobicContact CG-CB 4.23Å
794P95.6Very high80.9Confident3 Ų361.7 Ų61.72%0.01932%0.323CS..EExtended strand (participates in β ladder)trans-61.5130.5177.2-25.336.5000112.2W527 W528 Y644 V796 L835W527-P794 HydrophobicContact CH2-CB 4.24Å; W527-P794 HydrophobicContact CH2-CG 4.36Å; W527-P794 HydrophobicContact CZ2-CB 3.89Å; W527-P794 HydrophobicContact CZ2-CG 4.1Å; W528-P794 HydrophobicContact CB-CG 4.22Å; W528-P794 HydrophobicContact CD2-CG 3.48Å; W528-P794 VanDerWaalsContact CD2-CG 3.48Å; W528-P794 VanDerWaalsContact CE2-CD 3.5Å; W528-P794 HydrophobicContact CE3-CG 3.56Å; W528-P794 HydrophobicContact CG-CG 3.8Å; W528-P794 HydrophobicContact CH2-CG 4.36Å; W528-P794 HydrophobicContact CZ2-CG 4.35Å; W528-P794 HydrophobicContact CZ3-CG 3.99Å; Y644-P794 PolarHBondContact OH-O 3.42Å; P794-V796 HydrophobicContact CB-CG2 4.16Å; P794-V796 PolarHBondContact O-N 3.29Å; P794-L835 HydrophobicContact CB-CD2 4.03Å; P794-L835 HydrophobicContact CG-CD2 3.98Å
795L97.3Very high84Confident0 Ų055.5 Ų55.50%029%0.291CS..SBendtrans-88.914.9170.7-57-177.3000111.7I642 I665 L793 L802 L803 L820 L824 V826 P834 A836I642-L795 HydrophobicContact CD1-CD2 3.82Å; I665-L795 HydrophobicContact CD1-CB 4.38Å; I665-L795 HydrophobicContact CD1-CD2 3.92Å; L793-L795 PolarHBondContact O-N 2.67Å; L795-L802 HydrophobicContact CB-CD1 4.5Å; L795-L802 WeakPolarHBondContact O-CD1 3.39Å; L795-L803 PolarHBondContact O-N 3.43Å; L795-L820 HydrophobicContact CD1-CD1 4.34Å; L795-L824 HydrophobicContact CD1-CD1 4.12Å; L795-L824 HydrophobicContact CD2-CD1 4.17Å; L795-V826 HydrophobicContact CD1-CG1 4.23Å; L795-V826 HydrophobicContact CD1-CG2 3.89Å; L795-P834 HydrophobicContact CB-CB 4.45Å; L795-P834 HydrophobicContact CB-CG 4.32Å; L795-P834 PolarHBondContact N-O 3.47Å; L795-A836 HydrophobicContact CD1-CB 4.25Å; L795-A836 HydrophobicContact CD2-CB 3.83Å; L795-A836 HydrophobicContact CG-CB 4.21Å
796V95.6Very high87.1Confident4 Ų450.7 Ų50.72%0.02426%0.257CS..BIsolated β-bridgetrans-127.4158.1177.2-66.30000109.8W527 P794 G800 V801 L802 P834W527-V796 HydrophobicContact CH2-CG2 4.26Å; W527-V796 HydrophobicContact CZ2-CG2 4.49Å; P794-V796 HydrophobicContact CB-CG2 4.16Å; P794-V796 PolarHBondContact O-N 3.29Å; V796-G800 WeakPolarHBondContact CG1-O 3.3Å; V796-V801 CarbonylContact C-O 3.44Å; V796-V801 WeakPolarHBondContact CA-O 3.46Å; V796-V801 WeakPolarHBondContact CB-O 3.46Å; V796-L802 HydrophobicContact CG1-CD1 4.5Å; V796-P834 HydrophobicContact CG1-CG 3.96Å
797D93.7Very high89.7Confident14 Ų1445 Ų458%0.07523%0.23CC..  trans-79-178.7165.872.310.6000112.5W527 K647 Q799 G800 V801W527-D797 VanDerWaalsContact CZ2-C 3.5Å; W527-D797 WeakPolarHBondContact CZ2-O 2.99Å; K647-D797 IonicContact NZ-OD2 3.32Å; K647-D797 PolarHBondContact NZ-OD2 2.89Å; D797-Q799 PolarHBondContact O-N 2.99Å; D797-Q799 WeakPolarHBondContact OD1-CA 3.22Å; D797-Q799 VanDerWaalsContact OD1-CB 3.32Å; D797-Q799 WeakPolarHBondContact OD1-CB 3.17Å; D797-Q799 PolarHBondContact OD1-N 3.12Å; D797-Q799 PolarHBondContact OD2-OE1 3.25Å; D797-G800 PolarHBondContact O-N 3.38Å; D797-G800 PolarHBondContact OD1-N 2.89Å; D797-G800 VanDerWaalsContact OD1-N 3.12Å; D797-V801 PolarHBondContact N-O 3.18Å; D797-V801 PolarHBondContact OD1-N 3.31Å
798R91.3Very high91.9Very high138 Ų13839.4 Ų39.452%0.52121%0.206SC..THydrogen-bonded Turntrans-63.1-18.4179.3-175171.6179.9-104.7-6.3113.5W527W527-R798 HydrophobicContact CB-CG 4.39Å; W527-R798 HydrophobicContact CD2-CB 3.91Å; W527-R798 HydrophobicContact CD2-CG 4.11Å; W527-R798 HydrophobicContact CE3-CB 4.37Å; W527-R798 HydrophobicContact CE3-CG 4.23Å; W527-R798 HydrophobicContact CG-CB 4.05Å; W527-R798 HydrophobicContact CG-CG 4.19Å
799Q92.3Very high93.7Very high136 Ų13638.7 Ų38.764%0.63620%0.204SC*.THydrogen-bonded Turntrans-88.2-6.5175.6-68.871.325.800112.1D797 V801D797-Q799 PolarHBondContact O-N 2.99Å; D797-Q799 WeakPolarHBondContact OD1-CA 3.22Å; D797-Q799 VanDerWaalsContact OD1-CB 3.32Å; D797-Q799 WeakPolarHBondContact OD1-CB 3.17Å; D797-Q799 PolarHBondContact OD1-N 3.12Å; D797-Q799 PolarHBondContact OD2-OE1 3.25Å; Q799-V801 VanDerWaalsContact C-N 3.35Å; Q799-V801 HydrophobicContact CB-CG2 4.2Å
800G92Very high94.2Very high35 Ų3544.1 Ų44.136%0.36123%0.225SC..SBendtrans84.48-176.300000113.7V796 D797V796-G800 WeakPolarHBondContact CG1-O 3.3Å; D797-G800 PolarHBondContact O-N 3.38Å; D797-G800 PolarHBondContact OD1-N 2.89Å; D797-G800 VanDerWaalsContact OD1-N 3.12Å
801V93.9Very high94.6Very high89 Ų8948.9 Ų48.954%0.53925%0.245SC..PPolyproline II helixtrans-79.5133177.3-176.20000109V796 D797 Q799 L803V796-V801 CarbonylContact C-O 3.44Å; V796-V801 WeakPolarHBondContact CA-O 3.46Å; V796-V801 WeakPolarHBondContact CB-O 3.46Å; D797-V801 PolarHBondContact N-O 3.18Å; D797-V801 PolarHBondContact OD1-N 3.31Å; Q799-V801 VanDerWaalsContact C-N 3.35Å; Q799-V801 HydrophobicContact CB-CG2 4.2Å; V801-L803 PolarHBondContact O-N 3.11Å
802L95.3Very high94.8Very high47 Ų4750.4 Ų50.425%0.24625%0.253CS..BIsolated β-bridgetrans-57.4136.9177.9-165.276.2000110.7L795 V796 L820 P834L795-L802 HydrophobicContact CB-CD1 4.5Å; L795-L802 WeakPolarHBondContact O-CD1 3.39Å; V796-L802 HydrophobicContact CG1-CD1 4.5Å; L802-L820 HydrophobicContact CD1-CD1 3.87Å; L802-L820 HydrophobicContact CD2-CD1 4.08Å; L802-L820 HydrophobicContact CG-CD1 4.35Å; L802-P834 HydrophobicContact CD1-CG 4.06Å
803L96.4Very high94.8Very high3 Ų348 Ų482%0.01625%0.253CS..PPolyproline II helixtrans-62.4139.1171.6-63.8177.9000109.8I642 Y644 Q663 I665 L795 V801I642-L803 HydrophobicContact CG2-CD1 4.3Å; Y644-L803 HydrophobicContact CD1-CD1 4.4Å; Y644-L803 HydrophobicContact CE1-CD1 3.87Å; Q663-L803 HydrophobicContact CG-CD2 4.02Å; I665-L803 HydrophobicContact CD1-CB 4.07Å; I665-L803 HydrophobicContact CG1-CB 4.03Å; I665-L803 HydrophobicContact CG1-CD1 4.39Å; L795-L803 PolarHBondContact O-N 3.43Å; V801-L803 PolarHBondContact O-N 3.11Å
804P95Very high94.8Very high62 Ų6255.3 Ų55.340%0.40328%0.284SS..PPolyproline II helixtrans-63.6140.9179.528-35.2000110.4Q663 G664 I665Q663-P804 WeakPolarHBondContact O-CG 3.27Å; G664-P804 CarbonylContact C-O 3.59Å; G664-P804 WeakPolarHBondContact CA-O 3.21Å; I665-P804 PolarHBondContact N-O 3.14Å
805I97.3Very high94.7Very high21 Ų2158.8 Ų58.811%0.10830%0.301CS..BIsolated β-bridgetrans-98.9112173.5-46.7177.5000106.5I665 L667 T808 L819 L820I665-I805 WeakPolarHBondContact O-CA 3.27Å; L667-I805 HydrophobicContact CD1-CG2 3.83Å; L667-I805 HydrophobicContact CG-CG2 4.1Å; I805-T808 HydrophobicContact CB-CG2 3.93Å; I805-T808 HydrophobicContact CG2-CG2 3.59Å; I805-T808 PolarHBondContact O-OG1 3.08Å; I805-L819 HydrophobicContact CD1-CD2 4.29Å; I805-L819 HydrophobicContact CG2-CD2 4.36Å; I805-L820 HydrophobicContact CD1-CD1 4.03Å; I805-L820 HydrophobicContact CD1-CD2 3.83Å; I805-L820 HydrophobicContact CD1-CG 3.71Å; I805-L820 HydrophobicContact CG1-CD2 4.29Å
806H97Very high94.5Very high3 Ų360.1 Ų60.11%0.01431%0.311CS..THydrogen-bonded Turntrans-78.1150.8-171.8-69.6-78.9000111.8Y591 N661 Q663 I665 Y666 T808Y591-H806 HydrophobicContact CE2-CB 4.26Å; Y591-H806 AromaticContact CE2-ND1 3.31Å; Y591-H806 VanDerWaalsContact CE2-ND1 3.31Å; Y591-H806 WeakPolarHBondContact CE2-ND1 3.34Å; Y591-H806 AromaticContact CZ-ND1 3.44Å; Y591-H806 PolarHBondContact OH-CE1 2.82Å; Y591-H806 VanDerWaalsContact OH-CE1 3.22Å; Y591-H806 PolarHBondContact OH-ND1 3.18Å; N661-H806 PolarHBondContact O-CE1 2.82Å; Q663-H806 PolarHBondContact O-NE2 3.21Å; I665-H806 PolarHBondContact O-N 3.48Å; Y666-H806 HydrophobicContact CD1-CB 3.81Å; Y666-H806 HydrophobicContact CE1-CB 3.64Å; Y666-H806 AromaticContact CE1-CD2 3.69Å; Y666-H806 AromaticContact CE1-CG 3.7Å; Y666-H806 AromaticContact CE2-CD2 3.64Å; Y666-H806 AromaticContact CZ-CD2 3.33Å; Y666-H806 AromaticContact CZ-CG 3.8Å; Y666-H806 AromaticContact CZ-NE2 3.84Å; Y666-H806 PolarHBondContact OH-CD2 2.87Å; Y666-H806 PolarHBondContact OH-NE2 3.17Å; H806-T808 PolarHBondContact O-N 3.46Å; H806-T808 VanDerWaalsContact O-N 3.15Å
807F97.4Very high94.3Very high3 Ų365.6 Ų65.61%0.01334%0.336CS..THydrogen-bonded Turntrans56.623.4177-52.1-76.9000116.1R587 W588 Y591 Q627 I628 F631 Y666R587-F807 HydrophobicContact CB-CB 4.45Å; R587-F807 PolarHBondContact NH1-O 2.11Å; R587-F807 WeakPolarHBondContact O-CD1 3.38Å; W588-F807 HydrophobicContact CB-CE1 4.49Å; Y591-F807 HydrophobicContact CD1-CD1 4.24Å; Y591-F807 AromaticContact CD1-CE1 3.59Å; Y591-F807 HydrophobicContact CD1-CE1 3.59Å; Y591-F807 HydrophobicContact CD1-CZ 4.05Å; Y591-F807 HydrophobicContact CD2-CD1 4.05Å; Y591-F807 HydrophobicContact CD2-CE1 4.12Å; Y591-F807 HydrophobicContact CD2-CG 4.44Å; Y591-F807 HydrophobicContact CE1-CE1 4.2Å; Y591-F807 HydrophobicContact CE1-CZ 4.2Å; Y591-F807 AromaticContact CG-CD1 3.7Å; Y591-F807 HydrophobicContact CG-CD1 3.7Å; Y591-F807 AromaticContact CG-CE1 3.53Å; Y591-F807 HydrophobicContact CG-CE1 3.53Å; Y591-F807 HydrophobicContact CG-CZ 4.24Å; Q627-F807 HydrophobicContact CB-CE2 4.05Å; Q627-F807 HydrophobicContact CB-CZ 3.91Å; Q627-F807 WeakPolarHBondContact O-CE2 3.37Å; I628-F807 HydrophobicContact CB-CE1 4.25Å; I628-F807 HydrophobicContact CB-CZ 3.88Å; I628-F807 HydrophobicContact CD1-CD1 4.25Å; I628-F807 HydrophobicContact CD1-CE1 3.99Å; I628-F807 HydrophobicContact CD1-CZ 4.17Å; F631-F807 HydrophobicContact CB-CD2 3.42Å; F631-F807 VanDerWaalsContact CB-CD2 3.42Å; F631-F807 HydrophobicContact CB-CE2 3.68Å; F631-F807 HydrophobicContact CB-CG 4.23Å; F631-F807 HydrophobicContact CD1-CB 4.09Å; F631-F807 HydrophobicContact CD1-CD2 4.13Å; F631-F807 HydrophobicContact CD1-CG 4.09Å; F631-F807 HydrophobicContact CD2-CB 3.81Å; F631-F807 AromaticContact CD2-CD2 3.71Å; F631-F807 HydrophobicContact CD2-CD2 3.71Å; F631-F807 HydrophobicContact CD2-CG 4.1Å; F631-F807 HydrophobicContact CE1-CB 3.96Å; F631-F807 HydrophobicContact CE1-CG 4.43Å; F631-F807 HydrophobicContact CE2-CB 3.67Å; F631-F807 HydrophobicContact CE2-CD2 4.45Å; F631-F807 HydrophobicContact CE2-CG 4.44Å; F631-F807 HydrophobicContact CG-CB 4Å; F631-F807 AromaticContact CG-CD2 3.5Å; F631-F807 HydrophobicContact CG-CD2 3.5Å; F631-F807 HydrophobicContact CG-CE2 4.25Å; F631-F807 AromaticContact CG-CG 3.9Å; F631-F807 HydrophobicContact CG-CG 3.9Å; F631-F807 HydrophobicContact CZ-CB 3.74Å; Y666-F807 HydrophobicContact CD1-CD2 4.38Å; Y666-F807 HydrophobicContact CD1-CE2 4.26Å; Y666-F807 HydrophobicContact CE1-CD2 4.49Å; Y666-F807 AromaticContact CE1-CE2 4Å; Y666-F807 HydrophobicContact CE1-CE2 4Å
808T96.4Very high94.4Very high30 Ų3068.4 Ų68.418%0.18435%0.354CS..  trans-75.3137.5168.652.20000111.4L669 I805 H806 E812 L819L669-T808 HydrophobicContact CD1-CG2 4.04Å; I805-T808 HydrophobicContact CB-CG2 3.93Å; I805-T808 HydrophobicContact CG2-CG2 3.59Å; I805-T808 PolarHBondContact O-OG1 3.08Å; H806-T808 PolarHBondContact O-N 3.46Å; H806-T808 VanDerWaalsContact O-N 3.15Å; T808-E812 WeakPolarHBondContact CA-OE2 3.43Å; T808-E812 HydrophobicContact CG2-CB 4.1Å; T808-L819 HydrophobicContact CG2-CD2 3.88Å
809T95.3Very high94.6Very high46 Ų4662.2 Ų62.228%0.28233%0.331SS..  trans-61.9160.6162.258.60000111.1K811 E812 A813T809-K811 PolarHBondContact O-N 3.33Å; T809-K811 VanDerWaalsContact O-N 3.13Å; T809-E812 WeakPolarHBondContact CB-OE2 3.3Å; T809-E812 PolarHBondContact N-OE2 3.11Å; T809-E812 PolarHBondContact O-N 3.08Å; T809-E812 WeakPolarHBondContact OG1-CG 3.43Å; T809-E812 PolarHBondContact OG1-N 2.09Å; T809-E812 PolarHBondContact OG1-OE2 3.12Å; T809-A813 WeakPolarHBondContact O-CB 3.32Å; T809-A813 PolarHBondContact O-N 3.3Å
810E92Very high94.9Very high142 Ų14255.9 Ų55.966%0.66430%0.301SS*.Hα-helixtrans-53.5-35.4175.5-159.5-152.7169.500112.7K814E810-K814 WeakPolarHBondContact O-CD 3.32Å; E810-K814 VanDerWaalsContact O-CG 3.29Å; E810-K814 WeakPolarHBondContact O-CG 3.39Å; E810-K814 PolarHBondContact O-N 3.15Å; E810-K814 WeakPolarHBondContact OE1-CE 3.38Å; E810-K814 IonicContact OE1-NZ 3.64Å; E810-K814 PolarHBondContact OE1-NZ 3.48Å; E810-K814 IonicContact OE2-NZ 3.41Å
811K94.1Very high95Very high153 Ų15359.9 Ų59.967%0.66531%0.311SS*.Hα-helixtrans-67.2-46.7176.2-177.9-179.2176.8-175.30112.1T809 M815T809-K811 PolarHBondContact O-N 3.33Å; T809-K811 VanDerWaalsContact O-N 3.13Å; K811-M815 HydrophobicContact CG-CE 3.97Å; K811-M815 WeakPolarHBondContact O-CG 3.36Å
812E96.1Very high95.1Very high33 Ų3358.6 Ų58.615%0.15430%0.299CS..Hα-helixtrans-67.4-39.4178.9-71.3156.2160.400111.3R587 T808 T809 K814 M815 S816 L819R587-E812 IonicContact CZ-OE1 3.97Å; R587-E812 IonicContact CZ-OE2 2.67Å; R587-E812 IonicContact NH1-OE1 2.82Å; R587-E812 PolarHBondContact NH1-OE1 3.38Å; R587-E812 IonicContact NH1-OE2 2.67Å; R587-E812 PolarHBondContact NH1-OE2 2.98Å; R587-E812 IonicContact NH2-OE1 2.69Å; R587-E812 PolarHBondContact NH2-OE1 3.35Å; R587-E812 IonicContact NH2-OE2 3.19Å; R587-E812 PolarHBondContact NH2-OE2 2.97Å; T808-E812 WeakPolarHBondContact CA-OE2 3.43Å; T808-E812 HydrophobicContact CG2-CB 4.1Å; T809-E812 WeakPolarHBondContact CB-OE2 3.3Å; T809-E812 PolarHBondContact N-OE2 3.11Å; T809-E812 PolarHBondContact O-N 3.08Å; T809-E812 WeakPolarHBondContact OG1-CG 3.43Å; T809-E812 PolarHBondContact OG1-N 2.09Å; T809-E812 PolarHBondContact OG1-OE2 3.12Å; E812-K814 VanDerWaalsContact C-N 3.34Å; E812-K814 PolarHBondContact O-N 2.83Å; E812-M815 CarbonylContact O-C 3.54Å; E812-M815 VanDerWaalsContact O-CG 3.28Å; E812-M815 WeakPolarHBondContact O-CG 3.46Å; E812-M815 PolarHBondContact O-N 2.9Å; E812-S816 PolarHBondContact O-N 2.79Å; E812-L819 HydrophobicContact CB-CD2 4.19Å
813A92.6Very high95.2Very high47 Ų4757 Ų5739%0.38829%0.289SS..Hα-helixtrans-59.6-4217700000112.3T809 M815 S816T809-A813 WeakPolarHBondContact O-CB 3.32Å; T809-A813 PolarHBondContact O-N 3.3Å; A813-M815 PolarHBondContact O-N 3.31Å; A813-S816 WeakPolarHBondContact O-CB 3.42Å; A813-S816 PolarHBondContact O-N 2.92Å
814K93.5Very high95.3Very high152 Ų15256.9 Ų56.966%0.66129%0.289SS*.THydrogen-bonded Turntrans-63.1-17.2175.3-73.5168.4-174.8170.60114.1E810 E812E810-K814 WeakPolarHBondContact O-CD 3.32Å; E810-K814 VanDerWaalsContact O-CG 3.29Å; E810-K814 WeakPolarHBondContact O-CG 3.39Å; E810-K814 PolarHBondContact O-N 3.15Å; E810-K814 WeakPolarHBondContact OE1-CE 3.38Å; E810-K814 IonicContact OE1-NZ 3.64Å; E810-K814 PolarHBondContact OE1-NZ 3.48Å; E810-K814 IonicContact OE2-NZ 3.41Å; E812-K814 VanDerWaalsContact C-N 3.34Å; E812-K814 PolarHBondContact O-N 2.83Å
815M94.4Very high95.3Very high76 Ų7656.2 Ų56.237%0.37428%0.282SS..THydrogen-bonded Turntrans-118.525.6179.164.3-1786300113.4K811 E812 A813 H817 T818 L819K811-M815 HydrophobicContact CG-CE 3.97Å; K811-M815 WeakPolarHBondContact O-CG 3.36Å; E812-M815 CarbonylContact O-C 3.54Å; E812-M815 VanDerWaalsContact O-CG 3.28Å; E812-M815 WeakPolarHBondContact O-CG 3.46Å; E812-M815 PolarHBondContact O-N 2.9Å; A813-M815 PolarHBondContact O-N 3.31Å; M815-H817 VanDerWaalsContact C-N 3.31Å; M815-H817 PolarHBondContact O-N 3.2Å; M815-H817 VanDerWaalsContact O-N 3.14Å; M815-T818 WeakPolarHBondContact O-CB 3.32Å; M815-T818 PolarHBondContact O-N 3.38Å; M815-L819 PolarHBondContact O-N 3.17Å
816S93.3Very high95.3Very high29 Ų2956.7 Ų56.720%0.20329%0.286CS..Hα-helixtrans-45.9-44.2-175.757.70000115.1E812 A813 L819 L820E812-S816 PolarHBondContact O-N 2.79Å; A813-S816 WeakPolarHBondContact O-CB 3.42Å; A813-S816 PolarHBondContact O-N 2.92Å; S816-L819 PolarHBondContact O-N 2.88Å; S816-L820 VanDerWaalsContact O-CG 3.3Å; S816-L820 WeakPolarHBondContact O-CG 3.38Å; S816-L820 PolarHBondContact O-N 3.04Å
817H92.2Very high95.1Very high119 Ų11958.4 Ų58.455%0.55130%0.296SS*.Hα-helixtrans-62.5-45.4177.7-76.4-80.8000113.1M815 Q821M815-H817 VanDerWaalsContact C-N 3.31Å; M815-H817 PolarHBondContact O-N 3.2Å; M815-H817 VanDerWaalsContact O-N 3.14Å; H817-Q821 WeakPolarHBondContact O-CG 3.43Å; H817-Q821 PolarHBondContact O-N 2.91Å
818T95.1Very high94.9Very high73 Ų7362 Ų6245%0.44832%0.321SS..Hα-helixtrans-65.1-46.1176-50.80000110M815 L820 Q821 E822M815-T818 WeakPolarHBondContact O-CB 3.32Å; M815-T818 PolarHBondContact O-N 3.38Å; T818-L820 VanDerWaalsContact C-N 3.31Å; T818-L820 PolarHBondContact O-N 2.84Å; T818-Q821 PolarHBondContact O-N 3.32Å; T818-E822 HydrophobicContact CG2-CG 4.43Å; T818-E822 WeakPolarHBondContact O-CG 3.45Å; T818-E822 PolarHBondContact O-N 3.34Å
819L95.8Very high94.6Very high7 Ų762.9 Ų62.94%0.03733%0.327CS..Hα-helixtrans-54.6-46.9178.3-168.270.3000111.2L667 L669 I805 T808 E812 M815 S816 Q821 E822 W823L667-L819 HydrophobicContact CD1-CD2 4.03Å; L667-L819 HydrophobicContact CD1-CG 3.95Å; L669-L819 HydrophobicContact CD2-CD1 4.02Å; L669-L819 HydrophobicContact CD2-CD2 4.31Å; L669-L819 HydrophobicContact CD2-CG 4.47Å; I805-L819 HydrophobicContact CD1-CD2 4.29Å; I805-L819 HydrophobicContact CG2-CD2 4.36Å; T808-L819 HydrophobicContact CG2-CD2 3.88Å; E812-L819 HydrophobicContact CB-CD2 4.19Å; M815-L819 PolarHBondContact O-N 3.17Å; S816-L819 PolarHBondContact O-N 2.88Å; L819-Q821 PolarHBondContact O-N 3Å; L819-E822 PolarHBondContact O-N 3.37Å; L819-W823 PolarHBondContact O-N 2.92Å; L819-W823 VanDerWaalsContact O-N 3.1Å
820L97.1Very high94.2Very high4 Ų473.3 Ų73.32%0.02136%0.361CS..Hα-helixtrans-62.5-40.5176.7-69.2171.6000112.7I665 L795 L802 I805 S816 T818 E822 W823 L824 V826I665-L820 HydrophobicContact CD1-CD1 4.39Å; I665-L820 HydrophobicContact CD1-CD2 3.6Å; I665-L820 HydrophobicContact CG2-CD2 4.16Å; L795-L820 HydrophobicContact CD1-CD1 4.34Å; L802-L820 HydrophobicContact CD1-CD1 3.87Å; L802-L820 HydrophobicContact CD2-CD1 4.08Å; L802-L820 HydrophobicContact CG-CD1 4.35Å; I805-L820 HydrophobicContact CD1-CD1 4.03Å; I805-L820 HydrophobicContact CD1-CD2 3.83Å; I805-L820 HydrophobicContact CD1-CG 3.71Å; I805-L820 HydrophobicContact CG1-CD2 4.29Å; S816-L820 VanDerWaalsContact O-CG 3.3Å; S816-L820 WeakPolarHBondContact O-CG 3.38Å; S816-L820 PolarHBondContact O-N 3.04Å; T818-L820 VanDerWaalsContact C-N 3.31Å; T818-L820 PolarHBondContact O-N 2.84Å; L820-E822 VanDerWaalsContact C-N 3.29Å; L820-E822 PolarHBondContact O-N 3.26Å; L820-W823 PolarHBondContact O-N 3.34Å; L820-L824 HydrophobicContact CD2-CD1 3.97Å; L820-L824 WeakPolarHBondContact O-CA 3.26Å; L820-L824 WeakPolarHBondContact O-CB 3.35Å; L820-L824 PolarHBondContact O-N 3.03Å; L820-V826 HydrophobicContact CB-CG2 4.24Å; L820-V826 VanDerWaalsContact O-CG2 3.32Å; L820-V826 WeakPolarHBondContact O-CG2 3.39Å
821Q95.5Very high94Very high119 Ų11977.5 Ų77.556%0.55637%0.37SS*.Hα-helixtrans-67.6-27176.9-70.6176.6-4.400113.6H817 T818 L819 V826H817-Q821 WeakPolarHBondContact O-CG 3.43Å; H817-Q821 PolarHBondContact O-N 2.91Å; T818-Q821 PolarHBondContact O-N 3.32Å; L819-Q821 PolarHBondContact O-N 3Å; Q821-V826 HydrophobicContact CG-CB 4.28Å
822E95.4Very high93.8Very high62 Ų6272.5 Ų72.529%0.2936%0.363SS..Hα-helixtrans-80-35.7177.9-68.4-176118.700112.9K673 R678 T818 L819 L820K673-E822 HydrophobicContact CD-CB 4.27Å; K673-E822 VanDerWaalsContact CE-OE2 3.31Å; K673-E822 WeakPolarHBondContact CE-OE2 3.31Å; K673-E822 IonicContact NZ-OE1 3.95Å; K673-E822 PolarHBondContact NZ-OE1 2.96Å; K673-E822 IonicContact NZ-OE2 2.79Å; K673-E822 PolarHBondContact NZ-OE2 3.02Å; R678-E822 VanDerWaalsContact CZ-O 3.22Å; R678-E822 PolarHBondContact NE-O 3.35Å; R678-E822 PolarHBondContact NH2-O 3.32Å; T818-E822 HydrophobicContact CG2-CG 4.43Å; T818-E822 WeakPolarHBondContact O-CG 3.45Å; T818-E822 PolarHBondContact O-N 3.34Å; L819-E822 PolarHBondContact O-N 3.37Å; L820-E822 VanDerWaalsContact C-N 3.29Å; L820-E822 PolarHBondContact O-N 3.26Å
823W97.8Very high93.5Very high12 Ų1273.9 Ų73.95%0.04537%0.371CS..Hα-helixtrans-99.3-19.7-174.1-72.4105000114.8L667 P668 L669 W671 K673 C676 R678 L819 L820L667-W823 HydrophobicContact CD1-CB 4.07Å; L667-W823 HydrophobicContact CD1-CG 4.06Å; L667-W823 HydrophobicContact CD2-CB 3.96Å; P668-W823 HydrophobicContact CB-CZ3 4.47Å; P668-W823 HydrophobicContact CG-CE3 4.05Å; P668-W823 HydrophobicContact CG-CH2 4.49Å; P668-W823 HydrophobicContact CG-CZ3 3.71Å; P668-W823 WeakPolarHBondContact O-CH2 3.49Å; L669-W823 HydrophobicContact CD2-CZ2 4.21Å; W671-W823 WeakPolarHBondContact O-CH2 3.28Å; K673-W823 HydrophobicContact CG-CD2 4.22Å; K673-W823 HydrophobicContact CG-CE3 4.43Å; K673-W823 HydrophobicContact CG-CH2 3.97Å; K673-W823 HydrophobicContact CG-CZ2 3.72Å; K673-W823 HydrophobicContact CG-CZ3 4.3Å; C676-W823 HydrophobicContact CB-CE3 4.41Å; C676-W823 HydrophobicContact CB-CZ3 3.84Å; R678-W823 WeakPolarHBondContact CA-O 3.34Å; L819-W823 PolarHBondContact O-N 2.92Å; L819-W823 VanDerWaalsContact O-N 3.1Å; L820-W823 PolarHBondContact O-N 3.34Å
824L97.7Very high93.6Very high1 Ų172.4 Ų72.41%0.00536%0.357CS..SBendtrans-127.1157.1177.9-67.7167.2000110.8P640 I665 P680 L795 L820 V826 A836P640-L824 HydrophobicContact CB-CD2 3.67Å; P640-L824 HydrophobicContact CB-CG 4.45Å; P640-L824 HydrophobicContact CG-CD2 3.78Å; P640-L824 HydrophobicContact CG-CG 4.4Å; I665-L824 HydrophobicContact CG2-CD1 4.38Å; P680-L824 HydrophobicContact CB-CD2 3.9Å; P680-L824 HydrophobicContact CG-CD2 4.21Å; L795-L824 HydrophobicContact CD1-CD1 4.12Å; L795-L824 HydrophobicContact CD2-CD1 4.17Å; L820-L824 HydrophobicContact CD2-CD1 3.97Å; L820-L824 WeakPolarHBondContact O-CA 3.26Å; L820-L824 WeakPolarHBondContact O-CB 3.35Å; L820-L824 PolarHBondContact O-N 3.03Å; L824-V826 HydrophobicContact CB-CG2 3.82Å; L824-V826 PolarHBondContact O-N 2.82Å; L824-V826 VanDerWaalsContact O-N 3.12Å; L824-A836 HydrophobicContact CD1-CB 4.37Å
825D96Very high93.7Very high48 Ų4866.4 Ų66.426%0.25733%0.332SS..  trans-80.685.5167.7-174.8-0.1000110.2A836 R837D825-A836 CarbonylContact O-C 3.49Å; D825-A836 WeakPolarHBondContact O-CA 3.42Å; D825-R837 HydrophobicContact CB-CB 4.2Å; D825-R837 VanDerWaalsContact CG-NH2 3.32Å; D825-R837 PolarHBondContact O-N 3Å; D825-R837 IonicContact OD1-CZ 2.89Å; D825-R837 IonicContact OD1-NE 3.47Å; D825-R837 PolarHBondContact OD1-NE 3.07Å; D825-R837 IonicContact OD1-NH2 3.48Å; D825-R837 PolarHBondContact OD1-NH2 3.44Å; D825-R837 IonicContact OD2-CZ 2.96Å; D825-R837 VanDerWaalsContact OD2-CZ 3.23Å; D825-R837 IonicContact OD2-NE 2.68Å; D825-R837 PolarHBondContact OD2-NE 3.48Å; D825-R837 IonicContact OD2-NH2 3.62Å; D825-R837 PolarHBondContact OD2-NH2 3.3Å; D825-R837 VanDerWaalsContact OD2-NH2 3.15Å
826V96.5Very high93.8Very high31 Ų3162.8 Ų62.819%0.18832%0.315CS..EExtended strand (participates in β ladder)trans-90.9132.8-174.2-173.60000112.2L795 L820 Q821 L824 P834 L835L795-V826 HydrophobicContact CD1-CG1 4.23Å; L795-V826 HydrophobicContact CD1-CG2 3.89Å; L820-V826 HydrophobicContact CB-CG2 4.24Å; L820-V826 VanDerWaalsContact O-CG2 3.32Å; L820-V826 WeakPolarHBondContact O-CG2 3.39Å; Q821-V826 HydrophobicContact CG-CB 4.28Å; L824-V826 HydrophobicContact CB-CG2 3.82Å; L824-V826 PolarHBondContact O-N 2.82Å; L824-V826 VanDerWaalsContact O-N 3.12Å; V826-P834 HydrophobicContact CG1-CB 4.03Å; V826-L835 CarbonylContact C-O 3.47Å; V826-L835 WeakPolarHBondContact CA-O 3.23Å
827V94.1Very high93.9Very high39 Ų3965 Ų6524%0.23632%0.318CS..EExtended strand (participates in β ladder)trans-127.4152.7169.3-620000110.2Y792 L835 R837Y792-V827 HydrophobicContact CD1-CG2 3.94Å; Y792-V827 HydrophobicContact CE1-CG2 3.95Å; V827-L835 HydrophobicContact CG2-CB 4.13Å; V827-L835 PolarHBondContact N-O 3.31Å; V827-L835 PolarHBondContact O-N 2.62Å; V827-L835 VanDerWaalsContact O-O 3.13Å; V827-R837 HydrophobicContact CG1-CG 4.03Å; V827-R837 HydrophobicContact CG2-CG 3.95Å
828C92.8Very high94Very high80 Ų8059.6 Ų59.654%0.54129%0.293SS..EExtended strand (participates in β ladder)trans-104.8144.6176.2-64.70000111.7L833C828-L833 WeakPolarHBondContact CA-O 3.29Å
829T88.8Confident93.9Very high48 Ų4860.7 Ų60.729%0.29429%0.289SS..  trans-64.7168.1165.264.20000111.1R831 G832 L833 L835T829-R831 PolarHBondContact O-N 2.95Å; T829-R831 PolarHBondContact OG1-N 2.87Å; T829-G832 PolarHBondContact O-N 2.87Å; T829-L833 HydrophobicContact CG2-CB 4.17Å; T829-L833 PolarHBondContact N-O 3.23Å; T829-L833 WeakPolarHBondContact OG1-CB 3.48Å; T829-L833 PolarHBondContact OG1-N 2.95Å; T829-L833 VanDerWaalsContact OG1-N 3.12Å; T829-L833 PolarHBondContact OG1-O 3.38Å; T829-L835 HydrophobicContact CG2-CD1 3.71Å; T829-L835 HydrophobicContact CG2-CD2 4.18Å; T829-L835 HydrophobicContact CG2-CG 4.05Å
830R87.5Confident93.7Very high264 Ų26461.1 Ų61.1100%0.99629%0.291SS*.THydrogen-bonded Turntrans-55.9-16.6169.5-64.8-175.3-177.5-179.90.4114.3
831R87.4Confident93Very high230 Ų23064.8 Ų64.887%0.86831%0.309SS*.THydrogen-bonded Turntrans-100.912.1176.5-64.6-172.9176.9-167.8-1.2113.1T829 L833T829-R831 PolarHBondContact O-N 2.95Å; T829-R831 PolarHBondContact OG1-N 2.87Å; R831-L833 VanDerWaalsContact C-N 3.25Å; R831-L833 PolarHBondContact O-N 3.12Å
832G89.5Confident92Very high49 Ų4963.2 Ų63.251%0.50531%0.31SS..  trans79.3-7.3-179.800000115.7T829 P834T829-G832 PolarHBondContact O-N 2.87Å; G832-P834 WeakPolarHBondContact O-CD 3.42Å
833L91.1Very high91.3Very high61 Ų6161.6 Ų61.632%0.31930%0.302SS..  trans-62.4124.4179-55.9176.5000111C828 T829 R831C828-L833 WeakPolarHBondContact CA-O 3.29Å; T829-L833 HydrophobicContact CG2-CB 4.17Å; T829-L833 PolarHBondContact N-O 3.23Å; T829-L833 WeakPolarHBondContact OG1-CB 3.48Å; T829-L833 PolarHBondContact OG1-N 2.95Å; T829-L833 VanDerWaalsContact OG1-N 3.12Å; T829-L833 PolarHBondContact OG1-O 3.38Å; R831-L833 VanDerWaalsContact C-N 3.25Å; R831-L833 PolarHBondContact O-N 3.12Å
834P95.2Very high90.9Very high16 Ų1664.9 Ų64.910%0.10432%0.318CS..EExtended strand (participates in β ladder)trans-78.6137.4-178.830.9-34.7000112.2L795 V796 L802 V826 G832L795-P834 HydrophobicContact CB-CB 4.45Å; L795-P834 HydrophobicContact CB-CG 4.32Å; L795-P834 PolarHBondContact N-O 3.47Å; V796-P834 HydrophobicContact CG1-CG 3.96Å; L802-P834 HydrophobicContact CD1-CG 4.06Å; V826-P834 HydrophobicContact CG1-CB 4.03Å; G832-P834 WeakPolarHBondContact O-CD 3.42Å
835L95.2Very high90.7Very high27 Ų2769.4 Ų69.414%0.14135%0.346CS..EExtended strand (participates in β ladder)trans-129.7137.6178.7-46176000108.9Y792 L793 P794 V826 V827 T829Y792-L835 HydrophobicContact CD1-CD1 4.28Å; Y792-L835 HydrophobicContact CG-CD1 4.44Å; L793-L835 CarbonylContact O-C 3.43Å; L793-L835 WeakPolarHBondContact O-CA 3.46Å; P794-L835 HydrophobicContact CB-CD2 4.03Å; P794-L835 HydrophobicContact CG-CD2 3.98Å; V826-L835 CarbonylContact C-O 3.47Å; V826-L835 WeakPolarHBondContact CA-O 3.23Å; V827-L835 HydrophobicContact CG2-CB 4.13Å; V827-L835 PolarHBondContact N-O 3.31Å; V827-L835 PolarHBondContact O-N 2.62Å; V827-L835 VanDerWaalsContact O-O 3.13Å; T829-L835 HydrophobicContact CG2-CD1 3.71Å; T829-L835 HydrophobicContact CG2-CD2 4.18Å; T829-L835 HydrophobicContact CG2-CG 4.05Å
836A96.5Very high90.7Very high0 Ų068.5 Ų68.50%034%0.341CS..EExtended strand (participates in β ladder)trans-84.1142.2164.400000110.8I642 P680 L793 L795 L824 D825I642-A836 HydrophobicContact CD1-CB 4.31Å; P680-A836 HydrophobicContact CG-CB 4.46Å; L793-A836 HydrophobicContact CB-CB 4.44Å; L793-A836 PolarHBondContact N-O 3.14Å; L793-A836 PolarHBondContact O-N 3.04Å; L795-A836 HydrophobicContact CD1-CB 4.25Å; L795-A836 HydrophobicContact CD2-CB 3.83Å; L795-A836 HydrophobicContact CG-CB 4.21Å; L824-A836 HydrophobicContact CD1-CB 4.37Å; D825-A836 CarbonylContact O-C 3.49Å; D825-A836 WeakPolarHBondContact O-CA 3.42Å
837R94.6Very high90.7Very high75 Ų7567.2 Ų67.228%0.28333%0.333SS..EExtended strand (participates in β ladder)trans-89.4109.3170-66.9-166.6-75.1-177.5-4.1110.1F790 Y792 D825 V827F790-R837 HydrophobicContact CD1-CB 3.92Å; F790-R837 HydrophobicContact CE1-CB 4.4Å; Y792-R837 HydrophobicContact CD1-CG 4.1Å; Y792-R837 HydrophobicContact CE1-CG 3.9Å; D825-R837 HydrophobicContact CB-CB 4.2Å; D825-R837 VanDerWaalsContact CG-NH2 3.32Å; D825-R837 PolarHBondContact O-N 3Å; D825-R837 IonicContact OD1-CZ 2.89Å; D825-R837 IonicContact OD1-NE 3.47Å; D825-R837 PolarHBondContact OD1-NE 3.07Å; D825-R837 IonicContact OD1-NH2 3.48Å; D825-R837 PolarHBondContact OD1-NH2 3.44Å; D825-R837 IonicContact OD2-CZ 2.96Å; D825-R837 VanDerWaalsContact OD2-CZ 3.23Å; D825-R837 IonicContact OD2-NE 2.68Å; D825-R837 PolarHBondContact OD2-NE 3.48Å; D825-R837 IonicContact OD2-NH2 3.62Å; D825-R837 PolarHBondContact OD2-NH2 3.3Å; D825-R837 VanDerWaalsContact OD2-NH2 3.15Å; V827-R837 HydrophobicContact CG1-CG 4.03Å; V827-R837 HydrophobicContact CG2-CG 3.95Å
838L94.8Very high90.7Very high5 Ų568.5 Ų68.53%0.02634%0.338CS..EExtended strand (participates in β ladder)trans-81.5111.4166.1172.565.2000108.5T487 N679 P680 V682 P695 F790 V791 L793 L840T487-L838 HydrophobicContact CG2-CD1 3.88Å; N679-L838 WeakPolarHBondContact OD1-CA 3.49Å; N679-L838 WeakPolarHBondContact OD1-CD1 3.44Å; P680-L838 WeakPolarHBondContact O-CD1 3.37Å; V682-L838 HydrophobicContact CG2-CD2 4.35Å; P695-L838 HydrophobicContact CG-CD2 4.2Å; F790-L838 WeakPolarHBondContact CA-O 3.49Å; V791-L838 HydrophobicContact CB-CB 4.15Å; V791-L838 HydrophobicContact CB-CD2 4.25Å; V791-L838 HydrophobicContact CB-CG 4.46Å; V791-L838 PolarHBondContact N-O 3.04Å; V791-L838 PolarHBondContact O-N 3.18Å; L793-L838 HydrophobicContact CD1-CB 3.84Å; L793-L838 HydrophobicContact CD1-CD2 4.38Å; L793-L838 HydrophobicContact CG-CB 4.23Å; L838-L840 HydrophobicContact CD2-CD2 4.44Å; L838-L840 HydrophobicContact CG-CD2 4.22Å
839R93.3Very high90.8Very high97 Ų9768.5 Ų68.537%0.36633%0.333SS..EExtended strand (participates in β ladder)trans-87.5120.1177.8-173.9175.7173.5-163.1-3.3110.1N679 N788 F790 H841N679-R839 PolarHBondContact ND2-O 3.43Å; N679-R839 PolarHBondContact OD1-N 2.93Å; N788-R839 HydrophobicContact CB-CG 4.34Å; N788-R839 PolarHBondContact ND2-NE 3.06Å; N788-R839 PolarHBondContact ND2-NH2 3.11Å; N788-R839 PolarHBondContact OD1-NE 3.13Å; N788-R839 PolarHBondContact OD1-NH2 2.86Å; F790-R839 HydrophobicContact CD1-CB 4.07Å; F790-R839 HydrophobicContact CD1-CG 4.38Å; F790-R839 HydrophobicContact CE1-CB 3.9Å; F790-R839 HydrophobicContact CE1-CG 3.95Å; R839-H841 VanDerWaalsContact CD-NE2 3.27Å; R839-H841 WeakPolarHBondContact CD-NE2 3.42Å; R839-H841 PolarHBondContact NE-NE2 3.49Å; R839-H841 VanDerWaalsContact NE-NE2 3.18Å; R839-H841 PolarHBondContact O-ND1 3.25Å
840L90.6Very high91Very high15 Ų1566.2 Ų66.28%0.07932%0.319CS..EExtended strand (participates in β ladder)trans-85.4134.5170.8-50.7-175.3000108.8T487 A489 P695 E697 A789 V791 L838T487-L840 HydrophobicContact CG2-CD2 4.01Å; A489-L840 HydrophobicContact CB-CD1 4.06Å; A489-L840 HydrophobicContact CB-CD2 4.02Å; P695-L840 HydrophobicContact CG-CD1 4.35Å; P695-L840 HydrophobicContact CG-CD2 4.03Å; E697-L840 HydrophobicContact CG-CD1 4.26Å; A789-L840 HydrophobicContact CB-CB 4.04Å; A789-L840 HydrophobicContact CB-CD1 4.33Å; A789-L840 HydrophobicContact CB-CG 4.45Å; A789-L840 PolarHBondContact O-N 3.45Å; V791-L840 HydrophobicContact CG2-CD1 4.08Å; V791-L840 HydrophobicContact CG2-CG 4.32Å; L838-L840 HydrophobicContact CD2-CD2 4.44Å; L838-L840 HydrophobicContact CG-CD2 4.22Å
841H82.5Confident91.3Very high82 Ų8253.7 Ų53.738%0.3827%0.272SS..  trans-118.4167.1179.4-60.892000109.3R839 K843R839-H841 VanDerWaalsContact CD-NE2 3.27Å; R839-H841 WeakPolarHBondContact CD-NE2 3.42Å; R839-H841 PolarHBondContact NE-NE2 3.49Å; R839-H841 VanDerWaalsContact NE-NE2 3.18Å; R839-H841 PolarHBondContact O-ND1 3.25Å; H841-K843 PolarHBondContact O-N 3.24Å
842S73.9Confident91.6Very high85 Ų8546.4 Ų46.459%0.59425%0.248SC*.PPolyproline II helixtrans-55.1133.3164.946.80000110.2
843K80.7Confident91.6Very high28 Ų2848.7 Ų48.712%0.12225%0.245CC..PPolyproline II helixtrans-69.5163179-75.5157.2173.2161.50111A489 E697 H841 V847 D848A489-K843 WeakPolarHBondContact O-CE 3.32Å; A489-K843 PolarHBondContact O-NZ 3.14Å; E697-K843 VanDerWaalsContact OE1-CE 3.23Å; E697-K843 WeakPolarHBondContact OE1-CE 3.46Å; E697-K843 IonicContact OE1-NZ 2.71Å; E697-K843 PolarHBondContact OE1-NZ 2.84Å; H841-K843 PolarHBondContact O-N 3.24Å; K843-V847 HydrophobicContact CB-CB 4.36Å; K843-V847 HydrophobicContact CB-CG1 4.37Å; K843-V847 HydrophobicContact CD-CG1 4.34Å; K843-V847 HydrophobicContact CG-CG1 4.28Å; K843-D848 WeakPolarHBondContact CB-OD1 3.48Å; K843-D848 WeakPolarHBondContact CD-OD1 3.36Å
844H90.6Very high91.6Very high81 Ų8145.8 Ų45.838%0.37523%0.23SC..PPolyproline II helixtrans-69.7141.8167.7-174.1-95.8000109.5L465 L846 V847 D848L465-H844 VanDerWaalsContact CD2-CE1 3.41Å; L465-H844 WeakPolarHBondContact CD2-CE1 3.4Å; L465-H844 WeakPolarHBondContact CD2-NE2 3.31Å; H844-L846 VanDerWaalsContact C-N 3.26Å; H844-L846 PolarHBondContact ND1-N 2.9Å; H844-L846 PolarHBondContact O-N 3.29Å; H844-L846 VanDerWaalsContact O-N 3.13Å; H844-V847 HydrophobicContact CB-CG2 4.1Å; H844-V847 WeakPolarHBondContact O-CA 3.48Å; H844-V847 VanDerWaalsContact O-CB 3.3Å; H844-V847 WeakPolarHBondContact O-CB 3.28Å; H844-V847 PolarHBondContact O-N 2.06Å; H844-D848 PolarHBondContact O-N 2.96Å; H844-D848 VanDerWaalsContact O-N 3.12Å
845V93.8Very high91.4Very high97 Ų9745 Ų4559%0.58823%0.225SC*.Hα-helixtrans-53.9-40.2-173.3179.80000112.9V847 D848 N849V845-V847 VanDerWaalsContact C-N 3.3Å; V845-V847 PolarHBondContact O-N 2.95Å; V845-D848 PolarHBondContact O-N 3.35Å; V845-N849 VanDerWaalsContact O-CG 3.24Å; V845-N849 PolarHBondContact O-N 3.41Å; V845-N849 PolarHBondContact O-OD1 3.24Å
846L95.7Very high91.1Very high29 Ų2947.9 Ų47.915%0.15224%0.241CC..Hα-helixtrans-64-33.3175.7-59.9176.7000112.9I458 E461 L462 L465 H844 M850I458-L846 HydrophobicContact CG2-CB 3.87Å; I458-L846 HydrophobicContact CG2-CD2 4.09Å; I458-L846 WeakPolarHBondContact CG2-O 3.44Å; E461-L846 HydrophobicContact CB-CD1 4.16Å; L462-L846 HydrophobicContact CB-CB 4.32Å; L462-L846 HydrophobicContact CB-CD1 4.05Å; L462-L846 HydrophobicContact CD1-CB 4.43Å; L462-L846 HydrophobicContact CD1-CD1 4.38Å; L465-L846 HydrophobicContact CD2-CD1 4.47Å; H844-L846 VanDerWaalsContact C-N 3.26Å; H844-L846 PolarHBondContact ND1-N 2.9Å; H844-L846 PolarHBondContact O-N 3.29Å; H844-L846 VanDerWaalsContact O-N 3.13Å; L846-M850 WeakPolarHBondContact O-CB 3.5Å; L846-M850 PolarHBondContact O-N 3.38Å; L846-M850 VanDerWaalsContact O-N 3.08Å
847V95.7Very high90.3Very high4 Ų450.4 Ų50.42%0.02426%0.258CS..Hα-helixtrans-70.2-42.6176.4178.80000110.2L462 F488 W560 K843 H844 V845 M850 V851L462-V847 HydrophobicContact CD1-CG2 4.48Å; L462-V847 HydrophobicContact CD2-CG2 3.57Å; F488-V847 HydrophobicContact CD2-CG1 3.77Å; F488-V847 HydrophobicContact CE2-CG1 3.82Å; W560-V847 HydrophobicContact CB-CG2 4.43Å; W560-V847 WeakPolarHBondContact O-CG2 3.35Å; K843-V847 HydrophobicContact CB-CB 4.36Å; K843-V847 HydrophobicContact CB-CG1 4.37Å; K843-V847 HydrophobicContact CD-CG1 4.34Å; K843-V847 HydrophobicContact CG-CG1 4.28Å; H844-V847 HydrophobicContact CB-CG2 4.1Å; H844-V847 WeakPolarHBondContact O-CA 3.48Å; H844-V847 VanDerWaalsContact O-CB 3.3Å; H844-V847 WeakPolarHBondContact O-CB 3.28Å; H844-V847 PolarHBondContact O-N 2.06Å; V845-V847 VanDerWaalsContact C-N 3.3Å; V845-V847 PolarHBondContact O-N 2.95Å; V847-M850 HydrophobicContact CG1-CE 4.47Å; V847-M850 PolarHBondContact O-N 3.49Å; V847-V851 HydrophobicContact CG1-CG2 4.42Å; V847-V851 WeakPolarHBondContact O-CB 3.31Å; V847-V851 VanDerWaalsContact O-CG2 3.24Å; V847-V851 WeakPolarHBondContact O-CG2 3.19Å; V847-V851 PolarHBondContact O-N 3.44Å
848D94Very high89.8Confident65 Ų6547 Ų4735%0.34825%0.245SC..Hα-helixtrans-63-47.6175.9-78.5-34.2000111.7K843 H844 V845 M850 V851 E852K843-D848 WeakPolarHBondContact CB-OD1 3.48Å; K843-D848 WeakPolarHBondContact CD-OD1 3.36Å; H844-D848 PolarHBondContact O-N 2.96Å; H844-D848 VanDerWaalsContact O-N 3.12Å; V845-D848 PolarHBondContact O-N 3.35Å; D848-M850 VanDerWaalsContact C-N 3.35Å; D848-M850 PolarHBondContact O-N 2.86Å; D848-V851 PolarHBondContact O-N 2.78Å; D848-E852 WeakPolarHBondContact O-CB 3.23Å; D848-E852 WeakPolarHBondContact O-CG 3.27Å; D848-E852 PolarHBondContact O-N 2.98Å
849N94.4Very high89.5Confident80 Ų8050 Ų5043%0.42826%0.257SS..Hα-helixtrans-58.1-45.8177.6-67.3-13.1000112.1I458 V845 V851 E852 E853I458-N849 HydrophobicContact CD1-CB 3.97Å; V845-N849 VanDerWaalsContact O-CG 3.24Å; V845-N849 PolarHBondContact O-N 3.41Å; V845-N849 PolarHBondContact O-OD1 3.24Å; N849-V851 VanDerWaalsContact C-N 3.35Å; N849-V851 PolarHBondContact O-N 2.86Å; N849-E852 PolarHBondContact O-N 3.05Å; N849-E853 PolarHBondContact O-N 2.75Å
850M93.5Very high88.6Confident0 Ų048.5 Ų48.50%026%0.26CS..Hα-helixtrans-62.8-38.2177.2176.5-18073.500112.7P451 C452 I458 A459 V562 L846 V847 D848 W854P451-M850 VanDerWaalsContact C-CG 3.48Å; P451-M850 HydrophobicContact CB-CE 4.2Å; P451-M850 HydrophobicContact CB-CG 3.87Å; P451-M850 HydrophobicContact CB-SD 4.45Å; P451-M850 WeakPolarHBondContact O-CG 3.24Å; C452-M850 WeakPolarHBondContact CA-SD 3.3Å; C452-M850 HydrophobicContact CB-SD 3.83Å; I458-M850 HydrophobicContact CG2-CB 4.08Å; A459-M850 HydrophobicContact CB-SD 3.91Å; V562-M850 HydrophobicContact CG1-CE 3.96Å; V562-M850 HydrophobicContact CG1-SD 3.97Å; L846-M850 WeakPolarHBondContact O-CB 3.5Å; L846-M850 PolarHBondContact O-N 3.38Å; L846-M850 VanDerWaalsContact O-N 3.08Å; V847-M850 HydrophobicContact CG1-CE 4.47Å; V847-M850 PolarHBondContact O-N 3.49Å; D848-M850 VanDerWaalsContact C-N 3.35Å; D848-M850 PolarHBondContact O-N 2.86Å; M850-W854 WeakPolarHBondContact O-CB 3.47Å; M850-W854 PolarHBondContact O-N 2.98Å
851V94.3Very high87.8Confident2 Ų248.8 Ų48.81%0.01226%0.262CS..Hα-helixtrans-73.6-38.9177.8167.90000111.5P451 F488 P491 V847 D848 N849 W854 L855P451-V851 HydrophobicContact CB-CG2 4.16Å; P451-V851 HydrophobicContact CG-CG2 4.28Å; F488-V851 HydrophobicContact CE2-CG2 3.71Å; F488-V851 HydrophobicContact CZ-CG2 3.96Å; P491-V851 HydrophobicContact CB-CG1 4.4Å; P491-V851 HydrophobicContact CG-CG1 3.59Å; V847-V851 HydrophobicContact CG1-CG2 4.42Å; V847-V851 WeakPolarHBondContact O-CB 3.31Å; V847-V851 VanDerWaalsContact O-CG2 3.24Å; V847-V851 WeakPolarHBondContact O-CG2 3.19Å; V847-V851 PolarHBondContact O-N 3.44Å; D848-V851 PolarHBondContact O-N 2.78Å; N849-V851 VanDerWaalsContact C-N 3.35Å; N849-V851 PolarHBondContact O-N 2.86Å; V851-W854 PolarHBondContact O-N 3.09Å; V851-L855 HydrophobicContact CG1-CD1 4.2Å; V851-L855 HydrophobicContact CG1-CG 4.41Å; V851-L855 WeakPolarHBondContact O-CB 3.4Å; V851-L855 VanDerWaalsContact O-CG 3.29Å; V851-L855 WeakPolarHBondContact O-CG 3.08Å; V851-L855 PolarHBondContact O-N 2.86Å
852E93.1Very high87.4Confident76 Ų7645.6 Ų45.636%0.35525%0.25SC..Hα-helixtrans-68.4-43.8179.1-77.4-68.5121.300112.6D848 N849 W854 L855 D856 R859D848-E852 WeakPolarHBondContact O-CB 3.23Å; D848-E852 WeakPolarHBondContact O-CG 3.27Å; D848-E852 PolarHBondContact O-N 2.98Å; N849-E852 PolarHBondContact O-N 3.05Å; E852-W854 VanDerWaalsContact C-N 3.3Å; E852-W854 PolarHBondContact O-N 2.77Å; E852-L855 WeakPolarHBondContact O-CB 3.37Å; E852-L855 PolarHBondContact O-N 2.61Å; E852-L855 VanDerWaalsContact O-N 3.12Å; E852-L855 WeakPolarHBondContact OE1-CD1 3.37Å; E852-D856 PolarHBondContact O-N 2.88Å; E852-R859 IonicContact OE1-CZ 2.8Å; E852-R859 IonicContact OE1-NH2 3.58Å; E852-R859 PolarHBondContact OE1-NH2 3.29Å; E852-R859 IonicContact OE2-CZ 3.59Å; E852-R859 IonicContact OE2-NH1 2.9Å; E852-R859 PolarHBondContact OE2-NH1 2.82Å; E852-R859 IonicContact OE2-NH2 3.42Å; E852-R859 PolarHBondContact OE2-NH2 3.13Å
853E90Very high87.4Confident97 Ų9748.4 Ų48.445%0.45325%0.251SS..Hα-helixtrans-61.6-38.5174.5-174.6178.8-179.100111.8S455 N849 D856S455-E853 VanDerWaalsContact CB-OE2 3.24Å; S455-E853 WeakPolarHBondContact CB-OE2 3.39Å; S455-E853 VanDerWaalsContact OG-CD 3.24Å; S455-E853 PolarHBondContact OG-OE2 3.25Å; N849-E853 PolarHBondContact O-N 2.75Å; E853-D856 PolarHBondContact O-N 3.1Å
854W90.5Very high86.5Confident1 Ų148.8 Ų48.80%0.00426%0.255CS..Hα-helixtrans-65.3-41.6172.3172.285000112.5W449 P451 A454 I494 L505 L509 M850 V851 E852 D856 S857 Y858W449-W854 AromaticContact CD1-CD1 3.52Å; W449-W854 AromaticContact CD1-NE1 3.5Å; W449-W854 AromaticContact NE1-CD1 3.58Å; W449-W854 PolarHBondContact O-NE1 2.9Å; P451-W854 HydrophobicContact CB-CB 4.16Å; P451-W854 HydrophobicContact CB-CD2 4.44Å; P451-W854 HydrophobicContact CB-CG 4.17Å; P451-W854 HydrophobicContact CG-CB 4.48Å; P451-W854 HydrophobicContact CG-CD2 3.81Å; P451-W854 HydrophobicContact CG-CE3 4.01Å; P451-W854 HydrophobicContact CG-CG 4.01Å; A454-W854 HydrophobicContact CB-CB 3.85Å; A454-W854 HydrophobicContact CB-CG 4.45Å; I494-W854 HydrophobicContact CD1-CH2 4.19Å; I494-W854 HydrophobicContact CD1-CZ3 4.08Å; L505-W854 HydrophobicContact CD1-CH2 4.04Å; L505-W854 HydrophobicContact CD2-CH2 3.74Å; L505-W854 HydrophobicContact CD2-CZ2 4.2Å; L505-W854 HydrophobicContact CG-CH2 3.88Å; L505-W854 HydrophobicContact CG-CZ2 4.06Å; L509-W854 HydrophobicContact CB-CZ2 4.25Å; L509-W854 HydrophobicContact CD1-CH2 4.26Å; L509-W854 HydrophobicContact CD1-CZ2 3.8Å; L509-W854 HydrophobicContact CD2-CH2 3.98Å; L509-W854 HydrophobicContact CD2-CZ2 4.19Å; L509-W854 HydrophobicContact CG-CZ2 4.3Å; M850-W854 WeakPolarHBondContact O-CB 3.47Å; M850-W854 PolarHBondContact O-N 2.98Å; V851-W854 PolarHBondContact O-N 3.09Å; E852-W854 VanDerWaalsContact C-N 3.3Å; E852-W854 PolarHBondContact O-N 2.77Å; W854-D856 PolarHBondContact O-N 3.16Å; W854-S857 WeakPolarHBondContact O-CB 3.43Å; W854-S857 PolarHBondContact O-N 2.98Å; W854-Y858 HydrophobicContact CD2-CE2 4.11Å; W854-Y858 AromaticContact CE2-CE2 3.62Å; W854-Y858 HydrophobicContact CH2-CE2 4.47Å; W854-Y858 AromaticContact CZ2-CE2 3.81Å; W854-Y858 HydrophobicContact CZ2-CE2 3.81Å; W854-Y858 AromaticContact NE1-CE2 3.79Å; W854-Y858 WeakPolarHBondContact O-CD2 3.36Å
855L92.3Very high84.9Confident0 Ų046.8 Ų46.80%025%0.25CC..Hα-helixtrans-65.7-34.8176.3-77.1176.8000113.3P491 S493 I494 F497 L505 V851 E852 S857 Y858 R859P491-L855 HydrophobicContact CB-CD1 4.44Å; P491-L855 HydrophobicContact CG-CD1 3.74Å; P491-L855 HydrophobicContact CG-CD2 4.45Å; P491-L855 HydrophobicContact CG-CG 4.43Å; S493-L855 VanDerWaalsContact OG-CD1 3.23Å; S493-L855 WeakPolarHBondContact OG-CD1 3.49Å; I494-L855 HydrophobicContact CD1-CD2 4.42Å; I494-L855 HydrophobicContact CG1-CD2 3.8Å; F497-L855 HydrophobicContact CE2-CD2 3.77Å; F497-L855 HydrophobicContact CZ-CD2 4.12Å; L505-L855 HydrophobicContact CD1-CD2 4.33Å; V851-L855 HydrophobicContact CG1-CD1 4.2Å; V851-L855 HydrophobicContact CG1-CG 4.41Å; V851-L855 WeakPolarHBondContact O-CB 3.4Å; V851-L855 VanDerWaalsContact O-CG 3.29Å; V851-L855 WeakPolarHBondContact O-CG 3.08Å; V851-L855 PolarHBondContact O-N 2.86Å; E852-L855 WeakPolarHBondContact O-CB 3.37Å; E852-L855 PolarHBondContact O-N 2.61Å; E852-L855 VanDerWaalsContact O-N 3.12Å; E852-L855 WeakPolarHBondContact OE1-CD1 3.37Å; L855-S857 PolarHBondContact O-N 3.32Å; L855-Y858 PolarHBondContact O-N 3.48Å; L855-R859 WeakPolarHBondContact O-CG 3.4Å; L855-R859 PolarHBondContact O-N 2.91Å
856D88.2Confident83Confident87 Ų8746.4 Ų46.447%0.46525%0.248SC..Hα-helixtrans-58.5-33.5178.4-82.9-17.2000112.4E852 E853 W854 Y858 R859 S860E852-D856 PolarHBondContact O-N 2.88Å; E853-D856 PolarHBondContact O-N 3.1Å; W854-D856 PolarHBondContact O-N 3.16Å; D856-Y858 VanDerWaalsContact C-N 3.25Å; D856-Y858 PolarHBondContact O-N 2.86Å; D856-R859 PolarHBondContact O-N 3.1Å; D856-R859 WeakPolarHBondContact OD1-CD 3.24Å; D856-R859 IonicContact OD1-CZ 3.94Å; D856-R859 IonicContact OD1-NE 3.37Å; D856-R859 IonicContact OD1-NH1 2.74Å; D856-R859 PolarHBondContact OD1-NH1 3.02Å; D856-S860 PolarHBondContact O-N 3.43Å
857S80.3Confident80.7Confident53 Ų5351.4 Ų51.437%0.37128%0.275SS..Hα-helixtrans-54.8-40.4171.7-62.20000112.1W854 L855 S860W854-S857 WeakPolarHBondContact O-CB 3.43Å; W854-S857 PolarHBondContact O-N 2.98Å; L855-S857 PolarHBondContact O-N 3.32Å; S857-S860 PolarHBondContact O-OG 3.32Å
858Y84.1Confident77.8Confident2 Ų254.4 Ų54.41%0.00830%0.296CS..Hα-helixtrans-86.8-29178.7-57.7-81.8000113.6L505 E508 W854 L855 D856 S860 L861 A862L505-Y858 HydrophobicContact CB-CD1 3.78Å; L505-Y858 HydrophobicContact CB-CE1 3.66Å; L505-Y858 HydrophobicContact CB-CE2 4.48Å; L505-Y858 HydrophobicContact CB-CG 4.24Å; L505-Y858 HydrophobicContact CD1-CD1 4.22Å; L505-Y858 HydrophobicContact CD1-CD2 3.74Å; L505-Y858 HydrophobicContact CD1-CE2 4.06Å; L505-Y858 HydrophobicContact CD1-CG 3.8Å; L505-Y858 HydrophobicContact CG-CD1 4.22Å; L505-Y858 HydrophobicContact CG-CD2 4.14Å; L505-Y858 HydrophobicContact CG-CE1 4.06Å; L505-Y858 HydrophobicContact CG-CE2 3.97Å; L505-Y858 HydrophobicContact CG-CG 4.24Å; E508-Y858 WeakPolarHBondContact OE2-CE1 3.21Å; E508-Y858 PolarHBondContact OE2-OH 3.19Å; W854-Y858 HydrophobicContact CD2-CE2 4.11Å; W854-Y858 AromaticContact CE2-CE2 3.62Å; W854-Y858 HydrophobicContact CH2-CE2 4.47Å; W854-Y858 AromaticContact CZ2-CE2 3.81Å; W854-Y858 HydrophobicContact CZ2-CE2 3.81Å; W854-Y858 AromaticContact NE1-CE2 3.79Å; W854-Y858 WeakPolarHBondContact O-CD2 3.36Å; L855-Y858 PolarHBondContact O-N 3.48Å; D856-Y858 VanDerWaalsContact C-N 3.25Å; D856-Y858 PolarHBondContact O-N 2.86Å; Y858-S860 PolarHBondContact O-N 2.88Å; Y858-L861 HydrophobicContact CD1-CD1 4.39Å; Y858-L861 PolarHBondContact O-N 2.9Å; Y858-L861 VanDerWaalsContact O-N 3.11Å; Y858-A862 PolarHBondContact O-N 3.06Å
859R87.3Confident75Confident70 Ų7058 Ų5826%0.26432%0.315SS..Hα-helixtrans-60.2-34.1171.2-68.1169.1-176.1160.7-0.3111.4F497 E852 L855 D856 A862 K863F497-R859 HydrophobicContact CE1-CB 4.42Å; F497-R859 HydrophobicContact CE1-CG 3.75Å; F497-R859 HydrophobicContact CZ-CG 3.92Å; E852-R859 IonicContact OE1-CZ 2.8Å; E852-R859 IonicContact OE1-NH2 3.58Å; E852-R859 PolarHBondContact OE1-NH2 3.29Å; E852-R859 IonicContact OE2-CZ 3.59Å; E852-R859 IonicContact OE2-NH1 2.9Å; E852-R859 PolarHBondContact OE2-NH1 2.82Å; E852-R859 IonicContact OE2-NH2 3.42Å; E852-R859 PolarHBondContact OE2-NH2 3.13Å; L855-R859 WeakPolarHBondContact O-CG 3.4Å; L855-R859 PolarHBondContact O-N 2.91Å; D856-R859 PolarHBondContact O-N 3.1Å; D856-R859 WeakPolarHBondContact OD1-CD 3.24Å; D856-R859 IonicContact OD1-CZ 3.94Å; D856-R859 IonicContact OD1-NE 3.37Å; D856-R859 IonicContact OD1-NH1 2.74Å; D856-R859 PolarHBondContact OD1-NH1 3.02Å; R859-A862 PolarHBondContact O-N 2.77Å; R859-K863 WeakPolarHBondContact O-CG 3.23Å; R859-K863 PolarHBondContact O-N 3.32Å
860S76.1Confident72Confident64 Ų6459.6 Ų59.645%0.44833%0.329SS..Hα-helixtrans-60.8-43.8172.5810000112.5D856 S857 Y858 K863D856-S860 PolarHBondContact O-N 3.43Å; S857-S860 PolarHBondContact O-OG 3.32Å; Y858-S860 PolarHBondContact O-N 2.88Å; S860-K863 PolarHBondContact O-N 2.7Å
861L72.8Confident69.2Low21 Ų2167.3 Ų67.311%0.1137%0.369CS..Hα-helixtrans-69.6-36.4178.3-62.2175.5000112.3I431 V501 L504 Y858 K863 L864I431-L861 HydrophobicContact CD1-CD2 4.15Å; V501-L861 HydrophobicContact CG1-CB 4.44Å; V501-L861 HydrophobicContact CG2-CB 4.4Å; L504-L861 HydrophobicContact CD2-CD1 3.9Å; Y858-L861 HydrophobicContact CD1-CD1 4.39Å; Y858-L861 PolarHBondContact O-N 2.9Å; Y858-L861 VanDerWaalsContact O-N 3.11Å; L861-K863 PolarHBondContact O-N 3.07Å; L861-L864 WeakPolarHBondContact O-CB 3.31Å; L861-L864 PolarHBondContact O-N 3.01Å
862A75.2Confident66.2Low15 Ų1572.8 Ų72.812%0.12440%0.403CS..Hα-helixtrans-62.6-39.1177.200000112.6F497 P498 Y858 R859 L864 S865F497-A862 HydrophobicContact CD1-CB 3.95Å; F497-A862 HydrophobicContact CE1-CB 4.31Å; P498-A862 HydrophobicContact CG-CB 4.3Å; Y858-A862 PolarHBondContact O-N 3.06Å; R859-A862 PolarHBondContact O-N 2.77Å; A862-L864 PolarHBondContact O-N 3.41Å; A862-S865 VanDerWaalsContact O-CB 3.3Å; A862-S865 WeakPolarHBondContact O-CB 3.18Å; A862-S865 PolarHBondContact O-N 3.48Å
863K73.3Confident63.2Low145 Ų14574.4 Ų74.463%0.6342%0.423SS*.Hα-helixtrans-61.5-28.8176.2-69.1171.2-175.4178.90113.1R859 S860 L861 S865 T866R859-K863 WeakPolarHBondContact O-CG 3.23Å; R859-K863 PolarHBondContact O-N 3.32Å; S860-K863 PolarHBondContact O-N 2.7Å; L861-K863 PolarHBondContact O-N 3.07Å; K863-S865 VanDerWaalsContact C-N 3.26Å; K863-S865 PolarHBondContact O-N 2.96Å; K863-T866 PolarHBondContact O-OG1 3.35Å
864L62.5Low60.5Low36 Ų3675.9 Ų75.919%0.18844%0.438CS..Hα-helixtrans-74.8-17.1174.6-63170.2000112.8F143 L428 L861 A862F143-L864 HydrophobicContact CE1-CD2 3.97Å; F143-L864 HydrophobicContact CE2-CD1 3.86Å; F143-L864 HydrophobicContact CE2-CD2 3.99Å; F143-L864 HydrophobicContact CZ-CD1 3.89Å; F143-L864 HydrophobicContact CZ-CD2 3.47Å; F143-L864 VanDerWaalsContact CZ-CD2 3.47Å; F143-L864 HydrophobicContact CZ-CG 4.32Å; L428-L864 VanDerWaalsContact CD1-C 3.49Å; L428-L864 HydrophobicContact CD1-CB 4.03Å; L428-L864 HydrophobicContact CG-CB 4.4Å; L861-L864 WeakPolarHBondContact O-CB 3.31Å; L861-L864 PolarHBondContact O-N 3.01Å; A862-L864 PolarHBondContact O-N 3.41Å
865S55.6Low57.7Low39 Ų3980 Ų8027%0.27347%0.472SS..THydrogen-bonded Turntrans-86.7-13.3179.9-165.60000113.5A862 K863A862-S865 VanDerWaalsContact O-CB 3.3Å; A862-S865 WeakPolarHBondContact O-CB 3.18Å; A862-S865 PolarHBondContact O-N 3.48Å; K863-S865 VanDerWaalsContact C-N 3.26Å; K863-S865 PolarHBondContact O-N 2.96Å
866T55Low54.9Low89 Ų8986.1 Ų86.155%0.54651%0.512SS..THydrogen-bonded Turntrans-108.5-14.1-173.453.10000114K863 S868K863-T866 PolarHBondContact O-OG1 3.35Å; T866-S868 PolarHBondContact O-N 2.75Å; T866-S868 VanDerWaalsContact O-N 3.07Å
867N45.7Very low52.1Low134 Ų13487 Ų8772%0.71753%0.525SS*.  trans-85.238.1-175.2-77.5-2.3000114.2
868S36.1Very low50Low67 Ų6791.7 Ų91.747%0.46955%0.546SS..  trans-97.367.4167.456.60000110.1T866T866-S868 PolarHBondContact O-N 2.75Å; T866-S868 VanDerWaalsContact O-N 3.07Å
869N34.7Very low47.5Very low141 Ų14199.5 Ų99.575%0.75459%0.586SS**  trans-61.8132.9167.7-80.3-13000108.8I871N869-I871 PolarHBondContact O-N 3.14Å
870P31.8Very low45.1Very low112 Ų112102.7 Ų102.773%0.72761%0.609SS**  trans-63.5121.1169.727.5-32.1000107.9T872P870-T872 VanDerWaalsContact C-N 3.33Å; P870-T872 PolarHBondContact O-N 2.88Å
871I34Very low43.2Very low163 Ų163106.4 Ų106.484%0.83662%0.623SS**  trans-69.298.6170.8-62.4175.2000106.3N869 S873N869-I871 PolarHBondContact O-N 3.14Å; I871-S873 PolarHBondContact O-N 3.33Å
872T32.7Very low41.5Very low117 Ų117112.7 Ų112.772%0.71866%0.655SS**  trans-61.3106169.5-38.30000107.4P870 T874P870-T872 VanDerWaalsContact C-N 3.33Å; P870-T872 PolarHBondContact O-N 2.88Å; T872-T874 VanDerWaalsContact C-N 3.25Å; T872-T874 PolarHBondContact O-N 3.47Å
873S29.7Very low39.5Very low110 Ų110118.5 Ų118.577%0.76968%0.684SS**  trans-7379.6-179.8560000110.3I871 A875I871-S873 PolarHBondContact O-N 3.33Å; S873-A875 VanDerWaalsContact C-N 3.32Å; S873-A875 PolarHBondContact O-N 3.33Å
874T33.3Very low37.6Very low128 Ų128117.1 Ų117.179%0.78569%0.688SS**  trans-6991.6164.327.30000108.7T872T872-T874 VanDerWaalsContact C-N 3.25Å; T872-T874 PolarHBondContact O-N 3.47Å
875A31Very low36.3Very low86 Ų86120.9 Ų120.971%0.71171%0.713SS**  trans-62.6133173.500000110.1S873 S877S873-A875 VanDerWaalsContact C-N 3.32Å; S873-A875 PolarHBondContact O-N 3.33Å; A875-S877 PolarHBondContact O-N 3.26Å; A875-S877 VanDerWaalsContact O-N 3.14Å
876P34.2Very low35.3Very low129 Ų129126 Ų12684%0.83874%0.736SS**  trans-76.5103.6176.230.7-32.7000109.7N878P876-N878 PolarHBondContact O-N 3.48Å; P876-N878 VanDerWaalsContact O-N 3.16Å
877S29.9Very low34.3Very low105 Ų105127 Ų12773%0.73475%0.746SS**  trans-69.4102.9165.556.80000109.7A875A875-S877 PolarHBondContact O-N 3.26Å; A875-S877 VanDerWaalsContact O-N 3.14Å
878N34.7Very low33.8Very low153 Ų153125.3 Ų125.382%0.81875%0.745SS**  trans-171.196.7151.3-95-28.1000110P876P876-N878 PolarHBondContact O-N 3.48Å; P876-N878 VanDerWaalsContact O-N 3.16Å
879I31.7Very low33.8Very low165 Ų165129.7 Ų129.785%0.84676%0.762SS**  trans-116121.8163.6-65.9175.4000106.2
880N37.7Very low33.7Very low138 Ų138129.5 Ų129.574%0.73877%0.766SS**  trans-123.8115.4167.4-87.4-25.1000108.5
881N34.8Very low33.9Very low141 Ų141127.5 Ų127.575%0.75477%0.765SS**  trans53.6134.5153.3-50.7-24000117.6
882I38Very low34Very low153 Ų153124.7 Ų124.779%0.78576%0.76SS**  -159.4149.357.5-77.4170.3000110.3
883N33Very low34.1Very low138 Ų138125.3 Ų125.374%0.73876%0.764SS**  trans-30.2164.2169.1-50.9-25.1000117.6
884T34.4Very low34.3Very low115 Ų115125.7 Ų125.771%0.70676%0.761SS**  cis-172.2148.243.7-32.50000113.1
885T35.1Very low34.2Very low116 Ų116126.4 Ų126.471%0.71276%0.759SS**  trans52.2149.8152.841.30000122.1
886I33.5Very low34.1Very low146 Ų146131.5 Ų131.575%0.74977%0.768SS**  cis165.3144.1-32-98.2165.6000107.2
887S35.1Very low34.1Very low110 Ų110133.1 Ų133.177%0.76976%0.764SS**  trans74.5147.4171-60.10000118.7
888S33.8Very low34.3Very low98 Ų98133.5 Ų133.569%0.68576%0.762SS**  cis-174.1176.6-18.353.30000110.7
889I36.1Very low34.4Very low160 Ų160134.1 Ų134.182%0.82176%0.76SS**  trans101.3150.5164.2-58.4158.6000116.5
890T34.2Very low34.2Very low137 Ų137133.5 Ų133.584%0.8476%0.758SS**  trans-140.8157.6-133.7460000115.6
891G35.7Very low33.9Very low69 Ų69133.2 Ų133.271%0.71176%0.76SS**  trans127.8145151.300000115
892S35.9Very low33.6Very low105 Ų105131.4 Ų131.473%0.73476%0.759SS**  cis-164141.6-9.6-85.90000111
893T34.1Very low33.3Very low130 Ų130133.2 Ų133.280%0.79876%0.764SS**  trans57.1143.4147.559.80000119.8
894T34.3Very low33.1Very low117 Ų117135.3 Ų135.372%0.71877%0.769SS**  cis-155.711736-580000114.2
895I32.2Very low33.1Very low143 Ų143136.1 Ų136.173%0.73378%0.779SS**  trans48.8118.6135.8-49.4174.5000121.6
896Q27.4Very low32.7Very low193 Ų193135.5 Ų135.590%0.90278%0.78SS**  trans-115.7149.9140.7-82.3-173.8-20.300109.9
897H34.3Very low32.6Very low164 Ų164133.2 Ų133.276%0.75978%0.777SS**  trans-145.5153.1165.2-100.2-107.4000105.2
898T35.3Very low32.3Very low112 Ų112132.7 Ų132.769%0.68777%0.773SS**  cis-165151.230.6-0.90000112.1
899H35.2Very low32.3Very low166 Ų166135.6 Ų135.677%0.76978%0.781SS**  trans61.7113.6141.7-90.8-101.9000125.5
900L28.3Very low31.9Very low153 Ų153132.6 Ų132.680%0.80177%0.774SS**  trans-25.3151.4135.3-63151000117.9
901V32.2Very low31.8Very low132 Ų132133.4 Ų133.480%0.877%0.772SS**  -174.2148.3103.5151.10000109.7
902S28Very low31.6Very low102 Ų102134.6 Ų134.671%0.71377%0.769SS**  trans-109148.9172.172.60000111.1
903E31.3Very low31.3Very low192 Ų192134.6 Ų134.690%0.89777%0.769SS**  trans-154.8145.1154.9-123161.4-142.400113.1
904H28.9Very low31.3Very low182 Ų182136.4 Ų136.484%0.84377%0.774SS**  trans-88.9148.3174.2-75.6-101.1000110.5
905S33.5Very low31.2Very low131 Ų131136.3 Ų136.392%0.91677%0.773SS**  trans-172.7165137.731.50000111.8
906S28.4Very low31.4Very low104 Ų104137.5 Ų137.573%0.72778%0.781SS**  trans-117.5-177.9-158.553.30000113.9
907S30.3Very low31.6Very low98 Ų98136.5 Ų136.569%0.68578%0.776SS**  trans74.5110.2149.942.60000120.1
908S29.4Very low31.7Very low99 Ų99135.3 Ų135.369%0.69278%0.78SS**  trans48.1120.8133.260.10000120.9
909N33.7Very low31.6Very low158 Ų158137.6 Ų137.685%0.84578%0.783SS**  -162.3153.8105.8-97.9-30.4000113.4
910S27.7Very low31.3Very low97 Ų97140.2 Ų140.268%0.67879%0.788SS**  trans-66.9157.1170.851.30000113.5
911I31.4Very low31.6Very low155 Ų155138.7 Ų138.780%0.79579%0.785SS**  175.1146.9129.5-92.8153.9000111.3
912S31.6Very low31.5Very low94 Ų94137.5 Ų137.566%0.65778%0.782SS**  trans45.712016660.10000119.7
913S30.1Very low31.8Very low104 Ų104142.4 Ų142.473%0.72779%0.791SS**  66.591.755.282.30000114.6
914D33.9Very low31.7Very low169 Ų169138.7 Ų138.790%0.90479%0.786SS**  trans-128.4140.9155.5-95.7-41.5000109.3
915T32Very low32Very low114 Ų114136.7 Ų136.770%0.69979%0.787SS**  trans-133.593.5-165.4-47.20000109.6Q917T915-Q917 PolarHBondContact O-N 3.1Å; T915-Q917 VanDerWaalsContact O-N 3.08Å
916D36.2Very low31.9Very low169 Ų169135.6 Ų135.690%0.90478%0.779SS**  trans-74.6101.5174.9-81.7-35.7000110.6
917Q32.4Very low32.1Very low172 Ų172136.3 Ų136.380%0.80478%0.784SS**  trans-70.2128.5166.8-59.9-176.118.700109.2T915T915-Q917 PolarHBondContact O-N 3.1Å; T915-Q917 VanDerWaalsContact O-N 3.08Å
918V36.7Very low32.3Very low138 Ų138136.7 Ų136.784%0.83679%0.787SS**  trans-103.3111.6161.3-179.80000107.6Y920V918-Y920 PolarHBondContact O-N 3.49Å
919E32.5Very low32.3Very low161 Ų161136.9 Ų136.975%0.75279%0.788SS**  trans-70.6121.8-166.4-166.8174.7-171.300112.6T921E919-T921 HydrophobicContact CG-CG2 4.49Å; E919-T921 PolarHBondContact O-N 3.34Å
920Y29.7Very low32.5Very low221 Ų221137.3 Ų137.387%0.86779%0.79SS**  trans-81.598.4171-111.6-96.4000109.4V918 S922V918-Y920 PolarHBondContact O-N 3.49Å; Y920-S922 PolarHBondContact O-N 3.34Å
921T34.1Very low32.7Very low121 Ų121137 Ų13774%0.74279%0.794SS**  trans-8885.6170.134.30000111.1E919 K923E919-T921 HydrophobicContact CG-CG2 4.49Å; E919-T921 PolarHBondContact O-N 3.34Å; T921-K923 PolarHBondContact O-N 2.97Å
922S29.9Very low33Very low106 Ų106138.2 Ų138.274%0.74180%0.801SS**  trans-68.8116.9168.348.90000111.2Y920Y920-S922 PolarHBondContact O-N 3.34Å
923K33.8Very low33.1Very low205 Ų205144.9 Ų144.989%0.89181%0.812SS**  trans-109.799.5159.9-88.5-172.8175.1179.40110.3T921T921-K923 PolarHBondContact O-N 2.97Å
924S30.5Very low33.5Very low115 Ų115145.4 Ų145.480%0.80482%0.815SS**  trans-77.1122.9163.7500000110.1
925T34.6Very low33.8Very low139 Ų139142.9 Ų142.985%0.85381%0.811SS**  trans-128.4107.7159.543.80000108.8
926S30.7Very low33.8Very low108 Ų108142.1 Ų142.176%0.75581%0.81SS**  trans-78166.6171.948.50000112
927S32.3Very low34.2Very low119 Ų119143.4 Ų143.483%0.83283%0.828SS**  trans67.7145.8174.874.80000115
928S34.3Very low34.3Very low107 Ų107142 Ų14275%0.74883%0.829SS**  cis-145.3159.34.543.90000111
929S31.3Very low34.2Very low102 Ų102142.2 Ų142.271%0.71383%0.828SS**  trans-53.3140.6163.547.10000112.5
930D36Very low34.3Very low167 Ų167141.1 Ų141.189%0.89383%0.833SS**  -155.7138.8126-102.2-31.1000111
931A32.5Very low34.5Very low91 Ų91136.4 Ų136.475%0.75283%0.831SS**  trans-106.3131.5-179.900000109.5
932L38.5Very low34.5Very low180 Ų180137.4 Ų137.494%0.94284%0.836SS**  trans-136.7137.7157.6-95.2178.3000112.9
933R33.4Very low34.9Very low235 Ų235139.5 Ų139.589%0.88784%0.843SS**  trans-78.9178-168.5-126.2172.5169.8-152.1-1.5112.7
934S38Very low34.9Very low115 Ų115134.8 Ų134.880%0.80484%0.839SS**  trans83.9140.7159.378.70000116.9
935S40.3Very low35.3Very low115 Ų115136.3 Ų136.380%0.80484%0.842SS**  cis-165.3153.9-17.337.20000111
936S31.9Very low35.3Very low99 Ų99136.1 Ų136.169%0.69284%0.841SS**  trans-34.1162.3168.9-81.30000118.4
937P44.9Very low35.8Very low195 Ų195138.6 Ų138.6100%1.26685%0.849SS**  cis-70.6046-2536.3000116.3

Retrieved 937 of 937 residues in 275 ms (Link to these results)

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