A0A5K4F190_SCHMA Loading...

KH domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F190, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 453 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
1M54Low54.4Low246 Ų246159.7 Ų159.7100%1.21283%0.826SS**  0122.60-63.7165.9-178.500108
2K55.2Low54.7Low204 Ų204151.3 Ų151.389%0.88781%0.807SS**  trans-115.5151.6162.7-75.2-176.3174.5-178.50106.9
3R55.2Low55.1Low245 Ų245148.8 Ų148.893%0.92581%0.805SS**  trans-107.2128.3170.5-76.1-177.8177.9159.9-0.9108.1
4D54.7Low55.2Low153 Ų153147.1 Ų147.182%0.81881%0.805SS**  trans-80.9139.1171.5-49.1-70.8000109
5N63.6Low55.2Low151 Ų151144.7 Ų144.781%0.80780%0.803SS**  trans-132.494.6179.9-177.852.6000109.9G7N5-G7 PolarHBondContact O-N 3.07Å
6S48.5Very low55Low129 Ų129147.7 Ų147.790%0.90281%0.805SS**  trans-75.773.1179.1-58.70000111.5
7G53.2Low54.7Low57 Ų57151 Ų15159%0.58881%0.81SS**  trans-86.2109.9176.900000112.6N5 N9N5-G7 PolarHBondContact O-N 3.07Å; G7-N9 PolarHBondContact O-N 3.23Å
8N51.1Low54.4Low131 Ų131153.2 Ų153.270%0.70182%0.815SS**  trans-67.7111.4176.8169.260.8000112.5
9N52.9Low54.2Low134 Ų134154.6 Ų154.672%0.71781%0.808SS**  trans-129125.9168.1-102.346.5000110.4G7 D11G7-N9 PolarHBondContact O-N 3.23Å; N9-D11 PolarHBondContact ND2-OD2 3.35Å
10Q55.4Low53.7Low172 Ų172151.7 Ų151.780%0.80480%0.801SS**  trans-101.351.1-179.9-65.7-174.48.100112.3G12Q10-G12 VanDerWaalsContact C-N 3.3Å; Q10-G12 PolarHBondContact O-N 3.45Å; Q10-G12 VanDerWaalsContact O-N 3.15Å
11D54.4Low53.5Low135 Ų135148.8 Ų148.872%0.72279%0.793SS**  trans-90.359.8-179.2-66.2-70.4000112.2N9N9-D11 PolarHBondContact ND2-OD2 3.35Å
12G57.8Low53.6Low59 Ų59140.4 Ų140.461%0.60876%0.755SS**PPolyproline II helixtrans-78.9140.4168.400000111.2Q10Q10-G12 VanDerWaalsContact C-N 3.3Å; Q10-G12 PolarHBondContact O-N 3.45Å; Q10-G12 VanDerWaalsContact O-N 3.15Å
13P61Low53.8Low119 Ų119136.2 Ų136.277%0.77374%0.743SS**PPolyproline II helixtrans-60.3144.1174.827.2-34.6000110.1S15P13-S15 PolarHBondContact O-N 3.11Å; P13-S15 VanDerWaalsContact O-N 3.13Å
14P56.4Low54.4Low124 Ų124126.8 Ų126.881%0.80571%0.711SS**PPolyproline II helixtrans-57.6122.4-170.621.9-33.4000110.9K16P14-K16 PolarHBondContact O-N 3.12Å; P14-K16 VanDerWaalsContact O-N 3.14Å
15S55.3Low55.1Low111 Ų111122.8 Ų122.878%0.77669%0.692SS**PPolyproline II helixtrans-51.2122.9174.8-175.20000108.9P13 F17P13-S15 PolarHBondContact O-N 3.11Å; P13-S15 VanDerWaalsContact O-N 3.13Å; S15-F17 PolarHBondContact O-N 3.06Å
16K50.7Low55.9Low193 Ų193122.4 Ų122.484%0.83969%0.69SS**  trans-57.5114.7-177.8-68.6174.6-178.1171.60107.5P14 Q18P14-K16 PolarHBondContact O-N 3.12Å; P14-K16 VanDerWaalsContact O-N 3.14Å; K16-Q18 VanDerWaalsContact C-N 3.35Å; K16-Q18 PolarHBondContact O-N 2.82Å
17F50.9Low57.8Low204 Ų204116.3 Ų116.390%0.89565%0.647SS**  trans-47.797.6-176.9-108.8-98.8000110.4S15 R19S15-F17 PolarHBondContact O-N 3.06Å; F17-R19 PolarHBondContact O-N 2.86Å
18Q49.6Very low59.5Low190 Ų190116.4 Ų116.489%0.88864%0.639SS**  trans-74.786.6172.9-176.1171.4-500104.8K16 S20K16-Q18 VanDerWaalsContact C-N 3.35Å; K16-Q18 PolarHBondContact O-N 2.82Å; Q18-S20 PolarHBondContact O-N 2.74Å; Q18-S20 VanDerWaalsContact O-N 3.12Å
19R50Low61.4Low181 Ų181110.9 Ų110.968%0.68361%0.609SS**  trans-47124-175.8-124.4-179.9-170.1-157.3-2.9107.5F17F17-R19 PolarHBondContact O-N 2.86Å
20S43.7Very low63.3Low95 Ų95105.7 Ų105.766%0.66458%0.579SS**  trans-51.3157.8177.3470000110.1Q18 V22Q18-S20 PolarHBondContact O-N 2.74Å; Q18-S20 VanDerWaalsContact O-N 3.12Å; S20-V22 PolarHBondContact O-N 3.29Å; S20-V22 VanDerWaalsContact O-N 3.13Å
21S49.5Very low65.1Low92 Ų9297.5 Ų97.564%0.64354%0.541SS*.  trans-38.8123.7174.943.80000110.3D23S21-D23 PolarHBondContact O-N 3.1Å; S21-D23 VanDerWaalsContact O-N 3.1Å
22V57.3Low66.9Low69 Ų6991.1 Ų91.142%0.41851%0.507SS..  trans-59.8119.1169.4-179.60000105.6S20 L24 E203S20-V22 PolarHBondContact O-N 3.29Å; S20-V22 VanDerWaalsContact O-N 3.13Å; V22-L24 HydrophobicContact CB-CG 4.42Å; V22-L24 HydrophobicContact CG1-CD2 3.95Å; V22-L24 HydrophobicContact CG1-CG 4.24Å; V22-L24 WeakPolarHBondContact O-CG 3.3Å; V22-L24 PolarHBondContact O-N 2.94Å; V22-E203 HydrophobicContact CG1-CB 3.78Å
23D58.2Low68.4Low116 Ų11688.4 Ų88.462%0.6248%0.478SS*.  trans-76.480.2-175.8-67.2-47.8000109.4S21 T25 N26S21-D23 PolarHBondContact O-N 3.1Å; S21-D23 VanDerWaalsContact O-N 3.1Å; D23-T25 PolarHBondContact O-N 3.28Å; D23-N26 PolarHBondContact O-N 3.4Å
24L69Low69.8Low48 Ų4883.1 Ų83.125%0.25144%0.444SS..THydrogen-bonded Turntrans-67.622-177.3-65.5167000113.9V22 V27 L78 E200 E203V22-L24 HydrophobicContact CB-CG 4.42Å; V22-L24 HydrophobicContact CG1-CD2 3.95Å; V22-L24 HydrophobicContact CG1-CG 4.24Å; V22-L24 WeakPolarHBondContact O-CG 3.3Å; V22-L24 PolarHBondContact O-N 2.94Å; L24-V27 HydrophobicContact CB-CG2 4.31Å; L24-V27 HydrophobicContact CD2-CG2 4.05Å; L24-L78 HydrophobicContact CB-CB 4.24Å; L24-L78 HydrophobicContact CB-CD2 4.34Å; L24-L78 HydrophobicContact CD1-CD2 3.92Å; L24-L78 HydrophobicContact CD2-CD2 4.29Å; L24-L78 HydrophobicContact CG-CD2 4.4Å; L24-L78 PolarHBondContact O-N 2.78Å; L24-E200 HydrophobicContact CD1-CG 4.16Å; L24-E203 HydrophobicContact CD2-CB 4.28Å; L24-E203 HydrophobicContact CD2-CG 4.31Å
25T68Low71.2Confident69 Ų6978.3 Ų78.342%0.42342%0.417SS..THydrogen-bonded Turntrans-91.6-29.1175.953.90000112.5D23 G76 D77D23-T25 PolarHBondContact O-N 3.28Å; T25-G76 CarbonylContact O-C 3.58Å; T25-D77 WeakPolarHBondContact CA-OD1 3.4Å; T25-D77 PolarHBondContact O-N 3.11Å
26N81.3Confident72.7Confident142 Ų14279.4 Ų79.476%0.75940%0.404SS*.SBendtrans-119.555.8-179.1-71.2-59.4000111.3D23D23-N26 PolarHBondContact O-N 3.4Å
27V87.6Confident74.5Confident1 Ų170.2 Ų70.21%0.00636%0.364CS..EExtended strand (participates in β ladder)trans-84.1140.6179.9175.10000110L24 I29 E75 G76 I81 I199 E203L24-V27 HydrophobicContact CB-CG2 4.31Å; L24-V27 HydrophobicContact CD2-CG2 4.05Å; V27-I29 HydrophobicContact CG1-CD1 3.47Å; V27-I29 VanDerWaalsContact CG1-CD1 3.47Å; V27-I29 HydrophobicContact CG1-CG1 3.82Å; V27-E75 CarbonylContact O-C 3.57Å; V27-E75 VanDerWaalsContact O-CA 3.27Å; V27-E75 WeakPolarHBondContact O-CA 3.23Å; V27-G76 WeakPolarHBondContact CB-O 3.18Å; V27-G76 PolarHBondContact N-O 2.86Å; V27-G76 VanDerWaalsContact N-O 3.11Å; V27-G76 PolarHBondContact O-N 2.95Å; V27-I81 HydrophobicContact CB-CD1 4.5Å; V27-I81 HydrophobicContact CG1-CD1 4.4Å; V27-I199 HydrophobicContact CG1-CG2 3.52Å; V27-E203 HydrophobicContact CG1-CG 4.32Å; V27-E203 HydrophobicContact CG2-CG 4.29Å
28S89.1Confident76.3Confident59 Ų5960.5 Ų60.541%0.41332%0.322SS..EExtended strand (participates in β ladder)trans-128.5100.3-178166.40000112
29I91.1Very high78.2Confident16 Ų1653.6 Ų53.68%0.08230%0.301CS..EExtended strand (participates in β ladder)trans-111.1140.2-176.1-61.1138.8000111.4V27 F31 T73 I74 I81 I137 I199V27-I29 HydrophobicContact CG1-CD1 3.47Å; V27-I29 VanDerWaalsContact CG1-CD1 3.47Å; V27-I29 HydrophobicContact CG1-CG1 3.82Å; I29-F31 HydrophobicContact CB-CE2 4.01Å; I29-F31 HydrophobicContact CB-CZ 4.41Å; I29-F31 HydrophobicContact CG2-CD2 3.95Å; I29-F31 HydrophobicContact CG2-CE1 4.21Å; I29-F31 HydrophobicContact CG2-CE2 3.48Å; I29-F31 VanDerWaalsContact CG2-CE2 3.48Å; I29-F31 HydrophobicContact CG2-CG 4.48Å; I29-F31 HydrophobicContact CG2-CZ 3.63Å; I29-T73 CarbonylContact O-C 3.6Å; I29-T73 WeakPolarHBondContact O-CA 3.48Å; I29-I74 PolarHBondContact N-O 2.65Å; I29-I74 PolarHBondContact O-N 3.42Å; I29-I81 HydrophobicContact CD1-CD1 3.79Å; I29-I81 HydrophobicContact CD1-CG2 4.04Å; I29-I137 HydrophobicContact CG2-CG2 4.18Å; I29-I199 HydrophobicContact CD1-CB 4.39Å; I29-I199 HydrophobicContact CD1-CD1 3.33Å; I29-I199 HydrophobicContact CD1-CG1 3.51Å; I29-I199 HydrophobicContact CD1-CG2 3.94Å; I29-I199 HydrophobicContact CG1-CD1 4.32Å; I29-I199 HydrophobicContact CG1-CG1 3.99Å; I29-I199 HydrophobicContact CG1-CG2 4.39Å
30R92.8Very high80.1Confident24 Ų2448.5 Ų48.59%0.09129%0.287CS..EExtended strand (participates in β ladder)trans-110.3114173.6-67-178.4-70124-0.2109.8I71 M72 T73 I137 L138 D179 D213R30-I71 HydrophobicContact CB-CG2 4.05Å; R30-I71 HydrophobicContact CG-CG2 4.33Å; R30-M72 WeakPolarHBondContact CA-O 3.43Å; R30-T73 HydrophobicContact CG-CG2 4.08Å; R30-I137 WeakPolarHBondContact O-CA 3.44Å; R30-L138 HydrophobicContact CB-CB 4.13Å; R30-L138 HydrophobicContact CB-CD1 4.29Å; R30-L138 PolarHBondContact O-N 2.63Å; R30-D179 IonicContact CZ-OD1 2.98Å; R30-D179 IonicContact CZ-OD2 3.04Å; R30-D179 VanDerWaalsContact CZ-OD2 3.32Å; R30-D179 IonicContact NH1-OD1 3.13Å; R30-D179 IonicContact NH1-OD2 2.75Å; R30-D179 PolarHBondContact NH1-OD2 3.26Å; R30-D179 VanDerWaalsContact NH2-CG 3.28Å; R30-D179 IonicContact NH2-OD1 3.96Å; R30-D179 PolarHBondContact NH2-OD1 3.45Å; R30-D179 IonicContact NH2-OD2 2.7Å; R30-D179 PolarHBondContact NH2-OD2 3.14Å; R30-D213 IonicContact CZ-OD1 3.72Å; R30-D213 VanDerWaalsContact CZ-OD1 3.29Å; R30-D213 IonicContact CZ-OD2 2.78Å; R30-D213 IonicContact NE-OD1 2.92Å; R30-D213 IonicContact NE-OD2 3.67Å; R30-D213 PolarHBondContact NE-OD2 3.02Å; R30-D213 IonicContact NH1-OD1 2.87Å; R30-D213 VanDerWaalsContact NH2-CG 3.31Å; R30-D213 IonicContact NH2-OD1 2.99Å; R30-D213 PolarHBondContact NH2-OD1 3.38Å; R30-D213 IonicContact NH2-OD2 3.29Å
31F92.8Very high82.2Confident0 Ų044.2 Ų44.20%026%0.256CS..EExtended strand (participates in β ladder)trans-93.2140.9173.2-61.9-92.1000110.1I29 I33 I71 M72 I74 I81 M85 R136 I137 L195I29-F31 HydrophobicContact CB-CE2 4.01Å; I29-F31 HydrophobicContact CB-CZ 4.41Å; I29-F31 HydrophobicContact CG2-CD2 3.95Å; I29-F31 HydrophobicContact CG2-CE1 4.21Å; I29-F31 HydrophobicContact CG2-CE2 3.48Å; I29-F31 VanDerWaalsContact CG2-CE2 3.48Å; I29-F31 HydrophobicContact CG2-CG 4.48Å; I29-F31 HydrophobicContact CG2-CZ 3.63Å; F31-I33 HydrophobicContact CB-CG2 4.28Å; F31-I71 WeakPolarHBondContact O-CA 3.44Å; F31-M72 HydrophobicContact CB-CB 4.29Å; F31-M72 HydrophobicContact CB-CE 3.93Å; F31-M72 HydrophobicContact CD2-CE 4.24Å; F31-M72 HydrophobicContact CD2-SD 4.06Å; F31-M72 HydrophobicContact CG-CE 4.17Å; F31-M72 PolarHBondContact N-O 3.37Å; F31-M72 PolarHBondContact O-N 3.47Å; F31-I74 HydrophobicContact CD2-CD1 4.06Å; F31-I74 HydrophobicContact CD2-CG1 4.02Å; F31-I74 HydrophobicContact CE2-CD1 3.62Å; F31-I74 HydrophobicContact CE2-CG1 3.85Å; F31-I81 HydrophobicContact CZ-CG2 4.42Å; F31-M85 HydrophobicContact CD1-CE 3.81Å; F31-M85 HydrophobicContact CE1-CE 3.29Å; F31-M85 HydrophobicContact CE1-SD 4.11Å; F31-M85 HydrophobicContact CE2-SD 4.43Å; F31-M85 HydrophobicContact CZ-CE 3.75Å; F31-M85 HydrophobicContact CZ-SD 3.99Å; F31-R136 CarbonylContact C-O 3.59Å; F31-R136 WeakPolarHBondContact CA-O 3.32Å; F31-I137 HydrophobicContact CD1-CG2 3.41Å; F31-I137 VanDerWaalsContact CD1-CG2 3.41Å; F31-I137 HydrophobicContact CE1-CG2 3.5Å; F31-I137 VanDerWaalsContact CE1-CG2 3.5Å; F31-I137 HydrophobicContact CG-CG2 4.21Å; F31-I137 HydrophobicContact CZ-CG2 4.38Å; F31-L195 HydrophobicContact CE1-CD1 3.8Å; F31-L195 HydrophobicContact CE1-CD2 3.97Å; F31-L195 HydrophobicContact CZ-CD1 4.09Å; F31-L195 HydrophobicContact CZ-CD2 4.06Å
32L92Very high84.2Confident1 Ų141.7 Ų41.71%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-100.4106.9172.6-173.162.7000108.7E69 I71 R136 L138 V181 Y214 W230L32-E69 HydrophobicContact CD1-CB 4.08Å; L32-E69 HydrophobicContact CD1-CG 4.16Å; L32-I71 HydrophobicContact CD1-CG1 4.15Å; L32-R136 HydrophobicContact CB-CB 4.2Å; L32-R136 PolarHBondContact N-O 2.97Å; L32-L138 HydrophobicContact CB-CD1 4.33Å; L32-L138 HydrophobicContact CB-CG 4.21Å; L32-L138 HydrophobicContact CD1-CD1 4.47Å; L32-L138 HydrophobicContact CD2-CD2 4.48Å; L32-V181 HydrophobicContact CD2-CG1 4.48Å; L32-V181 HydrophobicContact CD2-CG2 3.73Å; L32-Y214 HydrophobicContact CD1-CD1 4.31Å; L32-Y214 HydrophobicContact CD1-CE1 3.96Å; L32-W230 PolarHBondContact O-NE1 3.33Å
33I91.2Very high85.7Confident2 Ų239.5 Ų39.51%0.0123%0.227CC..EExtended strand (participates in β ladder)trans-116.7151.9-173.956.1167000111.1F31 A37 A38 M41 E69 R70 M72 M96F31-I33 HydrophobicContact CB-CG2 4.28Å; I33-A37 HydrophobicContact CB-CB 4.43Å; I33-A38 HydrophobicContact CD1-CB 3.69Å; I33-A38 HydrophobicContact CG1-CB 4.49Å; I33-M41 HydrophobicContact CD1-SD 4.28Å; I33-E69 CarbonylContact O-C 3.59Å; I33-E69 WeakPolarHBondContact O-CA 3.06Å; I33-R70 HydrophobicContact CG1-CB 4.27Å; I33-R70 VanDerWaalsContact CG1-O 3.29Å; I33-R70 WeakPolarHBondContact CG1-O 3.46Å; I33-R70 PolarHBondContact N-O 3.48Å; I33-R70 PolarHBondContact O-N 3.46Å; I33-R70 VanDerWaalsContact O-O 3.12Å; I33-M72 HydrophobicContact CD1-CB 3.89Å; I33-M72 HydrophobicContact CD1-CE 4.21Å; I33-M72 HydrophobicContact CG1-CB 4.25Å; I33-M72 HydrophobicContact CG2-CE 3.78Å; I33-M96 HydrophobicContact CG2-SD 4.25Å
34P88.6Confident87.3Confident8 Ų843.3 Ų43.35%0.05224%0.238CC..EExtended strand (participates in β ladder)trans-69.6146.5171.829.1-31.9000110R36 A37 A38 P68 I95 M96 W230P34-R36 PolarHBondContact O-N 3.05Å; P34-R36 VanDerWaalsContact O-N 3.08Å; P34-A37 HydrophobicContact CG-CB 3.81Å; P34-A37 WeakPolarHBondContact O-CA 3.43Å; P34-A37 WeakPolarHBondContact O-CB 3.17Å; P34-A37 PolarHBondContact O-N 3.42Å; P34-A38 PolarHBondContact O-N 3.45Å; P34-P68 CarbonylContact C-O 3.52Å; P34-P68 WeakPolarHBondContact CA-O 3.46Å; P34-I95 HydrophobicContact CB-CG2 4.47Å; P34-I95 HydrophobicContact CG-CG2 3.66Å; P34-M96 HydrophobicContact CG-CG 3.99Å; P34-M96 HydrophobicContact CG-SD 4.44Å; P34-W230 HydrophobicContact CB-CB 4.32Å; P34-W230 HydrophobicContact CB-CD2 4.05Å; P34-W230 HydrophobicContact CB-CE3 4.26Å; P34-W230 HydrophobicContact CB-CG 4.06Å; P34-W230 HydrophobicContact CG-CD2 4.15Å; P34-W230 HydrophobicContact CG-CE3 4.26Å
35G87.2Confident88.3Confident23 Ų2344.5 Ų44.524%0.23726%0.261CS..Hα-helixtrans-57-29.6-177.100000113.8A38 G39 P68G35-A38 WeakPolarHBondContact O-CB 3.49Å; G35-A38 PolarHBondContact O-N 3.43Å; G35-G39 PolarHBondContact O-N 2.91Å; G35-P68 PolarHBondContact N-O 2.98Å
36R85.8Confident89.4Confident135 Ų13541.8 Ų41.851%0.50925%0.247SC..Hα-helixtrans-63.4-39.3172.4-64.1-172.8-71.7141.6-0.6112.7P34 G39 I40 I95P34-R36 PolarHBondContact O-N 3.05Å; P34-R36 VanDerWaalsContact O-N 3.08Å; R36-G39 PolarHBondContact O-N 3.34Å; R36-I40 PolarHBondContact O-N 3Å; R36-I95 HydrophobicContact CB-CD1 4.01Å; R36-I95 HydrophobicContact CB-CG2 3.99Å
37A88.9Confident90Very high0 Ų042 Ų420%024%0.244CC..Hα-helixtrans-69.1-40176.100000111.4I33 P34 G39 I40 M41 L92 I95 M96I33-A37 HydrophobicContact CB-CB 4.43Å; P34-A37 HydrophobicContact CG-CB 3.81Å; P34-A37 WeakPolarHBondContact O-CA 3.43Å; P34-A37 WeakPolarHBondContact O-CB 3.17Å; P34-A37 PolarHBondContact O-N 3.42Å; A37-G39 VanDerWaalsContact C-N 3.27Å; A37-G39 PolarHBondContact O-N 3.25Å; A37-I40 PolarHBondContact O-N 3.34Å; A37-I40 VanDerWaalsContact O-N 3.11Å; A37-M41 WeakPolarHBondContact O-CG 3.33Å; A37-M41 PolarHBondContact O-N 3Å; A37-L92 HydrophobicContact CB-CD1 3.97Å; A37-L92 HydrophobicContact CB-CD2 3.62Å; A37-L92 HydrophobicContact CB-CG 4.39Å; A37-I95 HydrophobicContact CB-CG2 4.07Å; A37-M96 HydrophobicContact CB-CG 4.32Å; A37-M96 HydrophobicContact CB-SD 4.09Å
38A89.6Confident90.2Very high0 Ų043.5 Ų43.50%025%0.252CS..Hα-helixtrans-56.2-42.3175.200000111.8I33 P34 G35 I40 M41 I42 I62 R70I33-A38 HydrophobicContact CD1-CB 3.69Å; I33-A38 HydrophobicContact CG1-CB 4.49Å; P34-A38 PolarHBondContact O-N 3.45Å; G35-A38 WeakPolarHBondContact O-CB 3.49Å; G35-A38 PolarHBondContact O-N 3.43Å; A38-I40 PolarHBondContact O-N 2.81Å; A38-M41 PolarHBondContact O-N 2.97Å; A38-I42 WeakPolarHBondContact O-CB 3.29Å; A38-I42 VanDerWaalsContact O-CG1 3.25Å; A38-I42 WeakPolarHBondContact O-CG1 3.13Å; A38-I42 PolarHBondContact O-N 3.21Å; A38-I62 HydrophobicContact CB-CG2 4.16Å; A38-R70 HydrophobicContact CB-CB 4.16Å; A38-R70 HydrophobicContact CB-CG 4.41Å
39G88.7Confident90.3Very high44 Ų4441.4 Ų41.445%0.45424%0.235SC..Hα-helixtrans-58.8-41.1175.400000113.8G35 R36 A37 G43G35-G39 PolarHBondContact O-N 2.91Å; R36-G39 PolarHBondContact O-N 3.34Å; A37-G39 VanDerWaalsContact C-N 3.27Å; A37-G39 PolarHBondContact O-N 3.25Å; G39-G43 PolarHBondContact O-N 3.21Å
40I88.9Confident90.4Very high74 Ų7446.5 Ų46.538%0.37926%0.257SS..Hα-helixtrans-68.9-40.8175.1-65.4-167.9000111.4R36 A37 A38 G43 K91 L92 I95R36-I40 PolarHBondContact O-N 3Å; A37-I40 PolarHBondContact O-N 3.34Å; A37-I40 VanDerWaalsContact O-N 3.11Å; A38-I40 PolarHBondContact O-N 2.81Å; I40-G43 PolarHBondContact O-N 3.34Å; I40-K91 HydrophobicContact CG2-CB 4.05Å; I40-L92 HydrophobicContact CB-CD2 4.05Å; I40-L92 HydrophobicContact CG2-CD2 4.09Å; I40-I95 HydrophobicContact CD1-CD1 3.49Å; I40-I95 VanDerWaalsContact CD1-CD1 3.49Å; I40-I95 HydrophobicContact CG1-CD1 4.14Å
41M89.6Confident90.4Very high5 Ų551.5 Ų51.53%0.02528%0.279CS..Hα-helixtrans-69.1-36.3179.9-68.7-16968.500113.4I33 A37 A38 N48 I49 I62 M72 V88 L92I33-M41 HydrophobicContact CD1-SD 4.28Å; A37-M41 WeakPolarHBondContact O-CG 3.33Å; A37-M41 PolarHBondContact O-N 3Å; A38-M41 PolarHBondContact O-N 2.97Å; M41-N48 PolarHBondContact O-ND2 3.21Å; M41-I49 PolarHBondContact O-N 2.82Å; M41-I62 HydrophobicContact CB-CD1 4.27Å; M41-M72 HydrophobicContact CE-CE 3.45Å; M41-M72 VanDerWaalsContact CE-CE 3.45Å; M41-M72 HydrophobicContact CE-CG 4.44Å; M41-M72 HydrophobicContact CE-SD 3.53Å; M41-M72 VanDerWaalsContact CE-SD 3.53Å; M41-M72 HydrophobicContact SD-CE 3.4Å; M41-M72 WeakPolarHBondContact SD-CE 3.36Å; M41-M72 HydrophobicContact SD-SD 4.22Å; M41-V88 HydrophobicContact CE-CG1 3.89Å; M41-V88 HydrophobicContact CE-CG2 3.89Å; M41-V88 HydrophobicContact CG-CG1 4.16Å; M41-V88 HydrophobicContact SD-CG1 3.86Å; M41-L92 HydrophobicContact CG-CD1 4.12Å; M41-L92 HydrophobicContact CG-CD2 4.36Å; M41-L92 HydrophobicContact SD-CD1 3.86Å
42I91.7Very high90.4Very high40 Ų4051.7 Ų51.721%0.20528%0.281CS..Hα-helixtrans-68.7-47.7171.9-65.6166.8000109.3A38 G46 N48 I49 I62A38-I42 WeakPolarHBondContact O-CB 3.29Å; A38-I42 VanDerWaalsContact O-CG1 3.25Å; A38-I42 WeakPolarHBondContact O-CG1 3.13Å; A38-I42 PolarHBondContact O-N 3.21Å; I42-G46 CarbonylContact O-C 3.54Å; I42-G46 VanDerWaalsContact O-C 3.31Å; I42-G46 WeakPolarHBondContact O-CA 3.45Å; I42-N48 PolarHBondContact O-N 3.45Å; I42-I49 HydrophobicContact CB-CG2 4.4Å; I42-I49 HydrophobicContact CG2-CG2 4.12Å; I42-I49 PolarHBondContact O-N 3.43Å; I42-I49 VanDerWaalsContact O-N 3.14Å; I42-I62 HydrophobicContact CD1-CB 4.43Å; I42-I62 HydrophobicContact CD1-CD1 4.46Å; I42-I62 HydrophobicContact CD1-CG2 4.24Å; I42-I62 HydrophobicContact CG1-CD1 3.95Å
43G88.8Confident90.4Very high23 Ų2356.4 Ų56.424%0.23730%0.298CS..  trans73.9169.5-174.600000112.7G39 I40 G45 G46G39-G43 PolarHBondContact O-N 3.21Å; I40-G43 PolarHBondContact O-N 3.34Å; G43-G45 PolarHBondContact O-N 2.9Å; G43-G46 PolarHBondContact O-N 2.71Å; G43-G46 VanDerWaalsContact O-N 3.11Å
44K91.6Very high90.5Very high196 Ų19661.3 Ų61.385%0.85233%0.333SS*.G310 helixtrans-58.5132.2177.5-60.4-179.5-177.3178.70109.3G46 E47K44-G46 PolarHBondContact O-N 2.8Å; K44-E47 WeakPolarHBondContact O-CB 3.5Å; K44-E47 PolarHBondContact O-N 2.69Å; K44-E47 VanDerWaalsContact O-N 3.12Å
45G89.7Confident90.7Very high72 Ų7265.3 Ų65.374%0.74235%0.351SS*.G310 helixtrans61.712.4-178.200000116.2G43 E47 K50G43-G45 PolarHBondContact O-N 2.9Å; G45-E47 VanDerWaalsContact C-N 3.26Å; G45-E47 PolarHBondContact O-N 3.32Å; G45-K50 PolarHBondContact O-NZ 2.74Å; G45-K50 VanDerWaalsContact O-NZ 3.07Å
46G90.8Very high90.8Very high13 Ų1366.1 Ų66.113%0.13435%0.347CS..G310 helixtrans69.120.5-172.500000114.1I42 G43 K44 I49 K50I42-G46 CarbonylContact O-C 3.54Å; I42-G46 VanDerWaalsContact O-C 3.31Å; I42-G46 WeakPolarHBondContact O-CA 3.45Å; G43-G46 PolarHBondContact O-N 2.71Å; G43-G46 VanDerWaalsContact O-N 3.11Å; K44-G46 PolarHBondContact O-N 2.8Å; G46-I49 WeakPolarHBondContact O-CG2 3.32Å; G46-K50 WeakPolarHBondContact O-CB 3.43Å; G46-K50 VanDerWaalsContact O-CD 3.3Å; G46-K50 WeakPolarHBondContact O-CD 3.44Å; G46-K50 WeakPolarHBondContact O-CG 3.25Å; G46-K50 PolarHBondContact O-N 2.8Å; G46-K50 VanDerWaalsContact O-N 3.1Å
47E92.9Very high91.1Very high147 Ų14766.5 Ų66.569%0.68736%0.359SS*.Hα-helixtrans-65.9-44.6-176.6-168.3-171.5157.100112.5K44 G45 K50 K51K44-E47 WeakPolarHBondContact O-CB 3.5Å; K44-E47 PolarHBondContact O-N 2.69Å; K44-E47 VanDerWaalsContact O-N 3.12Å; G45-E47 VanDerWaalsContact C-N 3.26Å; G45-E47 PolarHBondContact O-N 3.32Å; E47-K50 PolarHBondContact O-N 2.99Å; E47-K51 WeakPolarHBondContact O-CB 3.27Å; E47-K51 PolarHBondContact O-N 2.94Å
48N92.1Very high91.2Very high32 Ų3267 Ų6717%0.17136%0.362CS..Hα-helixtrans-68.8-39.4-177.1-177.890.7000111.6M41 I42 K51 I52 K91M41-N48 PolarHBondContact O-ND2 3.21Å; I42-N48 PolarHBondContact O-N 3.45Å; N48-K51 PolarHBondContact O-N 3.38Å; N48-I52 VanDerWaalsContact ND2-CD1 3.31Å; N48-I52 WeakPolarHBondContact ND2-CD1 3.46Å; N48-I52 WeakPolarHBondContact O-CG1 3.26Å; N48-I52 PolarHBondContact O-N 3.14Å; N48-K91 PolarHBondContact OD1-NZ 2.87Å
49I92.1Very high91.3Very high14 Ų1473 Ų737%0.07239%0.388CS..Hα-helixtrans-66.4-38.9172.8-177171.9000112.2M41 I42 G46 I52 R53 L60 I62M41-I49 PolarHBondContact O-N 2.82Å; I42-I49 HydrophobicContact CB-CG2 4.4Å; I42-I49 HydrophobicContact CG2-CG2 4.12Å; I42-I49 PolarHBondContact O-N 3.43Å; I42-I49 VanDerWaalsContact O-N 3.14Å; G46-I49 WeakPolarHBondContact O-CG2 3.32Å; I49-I52 PolarHBondContact O-N 2.72Å; I49-R53 HydrophobicContact CG1-CG 4.46Å; I49-R53 VanDerWaalsContact O-CG 3.29Å; I49-R53 WeakPolarHBondContact O-CG 3.34Å; I49-R53 PolarHBondContact O-N 3.34Å; I49-L60 HydrophobicContact CD1-CD2 3.87Å; I49-L60 HydrophobicContact CG1-CD2 4.23Å; I49-I62 HydrophobicContact CD1-CD1 4.44Å
50K93.1Very high91.5Very high124 Ų12471 Ų7154%0.53937%0.367SS..Hα-helixtrans-61.1-48172.9-73.9163.3-173.9160.80110.8G45 G46 E47 I52 R53 S54G45-K50 PolarHBondContact O-NZ 2.74Å; G45-K50 VanDerWaalsContact O-NZ 3.07Å; G46-K50 WeakPolarHBondContact O-CB 3.43Å; G46-K50 VanDerWaalsContact O-CD 3.3Å; G46-K50 WeakPolarHBondContact O-CD 3.44Å; G46-K50 WeakPolarHBondContact O-CG 3.25Å; G46-K50 PolarHBondContact O-N 2.8Å; G46-K50 VanDerWaalsContact O-N 3.1Å; E47-K50 PolarHBondContact O-N 2.99Å; K50-I52 PolarHBondContact O-N 3.44Å; K50-R53 PolarHBondContact O-N 2.87Å; K50-S54 PolarHBondContact O-N 2.97Å; K50-S54 PolarHBondContact O-OG 3.11Å
51K93.1Very high91.7Very high128 Ų12871.3 Ų71.356%0.55737%0.369SS*.Hα-helixtrans-56.9-48.1176.1-179.8174.9174.6176.20111.7E47 N48 S54 Q55E47-K51 WeakPolarHBondContact O-CB 3.27Å; E47-K51 PolarHBondContact O-N 2.94Å; N48-K51 PolarHBondContact O-N 3.38Å; K51-S54 PolarHBondContact O-N 3.47Å; K51-Q55 WeakPolarHBondContact O-CB 3.48Å; K51-Q55 PolarHBondContact O-N 3.48Å
52I92.5Very high91.7Very high5 Ų571.9 Ų71.93%0.02637%0.372CS..Hα-helixtrans-61.6-46.3179.7-72.9170.4000111.6N48 I49 K50 S54 Q55 Y56 V58 L60 I84 V88N48-I52 VanDerWaalsContact ND2-CD1 3.31Å; N48-I52 WeakPolarHBondContact ND2-CD1 3.46Å; N48-I52 WeakPolarHBondContact O-CG1 3.26Å; N48-I52 PolarHBondContact O-N 3.14Å; I49-I52 PolarHBondContact O-N 2.72Å; K50-I52 PolarHBondContact O-N 3.44Å; I52-S54 VanDerWaalsContact C-N 3.35Å; I52-S54 PolarHBondContact O-N 2.91Å; I52-Q55 PolarHBondContact O-N 3.06Å; I52-Y56 HydrophobicContact CG2-CD2 4.26Å; I52-Y56 WeakPolarHBondContact O-CD2 3.31Å; I52-Y56 PolarHBondContact O-N 3.28Å; I52-V58 HydrophobicContact CG2-CG2 4.47Å; I52-L60 HydrophobicContact CB-CD1 4.5Å; I52-L60 HydrophobicContact CG2-CD1 3.61Å; I52-I84 HydrophobicContact CG2-CD1 4.02Å; I52-I84 HydrophobicContact CG2-CG1 3.96Å; I52-I84 HydrophobicContact CG2-CG2 3.95Å; I52-V88 HydrophobicContact CD1-CG2 4.15Å
53R92Very high91.6Very high100 Ų10073 Ų7338%0.37738%0.382SS..Hα-helixtrans-55.9-48.2176-72171.1178.3173.4-0.1111.4I49 K50 N57 V58 L60I49-R53 HydrophobicContact CG1-CG 4.46Å; I49-R53 VanDerWaalsContact O-CG 3.29Å; I49-R53 WeakPolarHBondContact O-CG 3.34Å; I49-R53 PolarHBondContact O-N 3.34Å; K50-R53 PolarHBondContact O-N 2.87Å; R53-N57 VanDerWaalsContact O-CA 3.26Å; R53-N57 WeakPolarHBondContact O-CA 3.45Å; R53-N57 PolarHBondContact O-N 2.98Å; R53-V58 PolarHBondContact O-N 3.01Å; R53-L60 HydrophobicContact CG-CB 4.07Å; R53-L60 PolarHBondContact NE-O 2.8Å; R53-L60 PolarHBondContact NH2-O 3.1Å
54S92.6Very high91.4Very high104 Ų10478.5 Ų78.573%0.72741%0.406SS*.Hα-helixtrans-72.9-37.2-178.8-56.90000114.2K50 K51 I52K50-S54 PolarHBondContact O-N 2.97Å; K50-S54 PolarHBondContact O-OG 3.11Å; K51-S54 PolarHBondContact O-N 3.47Å; I52-S54 VanDerWaalsContact C-N 3.35Å; I52-S54 PolarHBondContact O-N 2.91Å
55Q92.6Very high90.9Very high92 Ų9270 Ų7043%0.4337%0.371SS..Hα-helixtrans-70.8-31.3-176.4179.1176.6-36.900112.6K51 I52K51-Q55 WeakPolarHBondContact O-CB 3.48Å; K51-Q55 PolarHBondContact O-N 3.48Å; I52-Q55 PolarHBondContact O-N 3.06Å
56Y90.7Very high90.4Very high40 Ų4078.8 Ų78.816%0.15738%0.382CS..Hα-helixtrans-116.71.6-175.7-63.6-77.3000114I52 V58 I84 D87I52-Y56 HydrophobicContact CG2-CD2 4.26Å; I52-Y56 WeakPolarHBondContact O-CD2 3.31Å; I52-Y56 PolarHBondContact O-N 3.28Å; Y56-V58 VanDerWaalsContact C-N 3.29Å; Y56-V58 PolarHBondContact O-N 3.13Å; Y56-I84 HydrophobicContact CD1-CG1 4.15Å; Y56-I84 HydrophobicContact CD2-CD1 4.1Å; Y56-I84 HydrophobicContact CD2-CG1 3.36Å; Y56-I84 HydrophobicContact CE1-CG1 4.49Å; Y56-I84 HydrophobicContact CE2-CG1 3.74Å; Y56-I84 HydrophobicContact CG-CD1 4.05Å; Y56-I84 HydrophobicContact CG-CG1 3.57Å; Y56-D87 PolarHBondContact OH-OD1 3.11Å; Y56-D87 VanDerWaalsContact OH-OD1 3.06Å; Y56-D87 PolarHBondContact OH-OD2 3.05Å
57N90.4Very high89.8Confident143 Ų14378.9 Ų78.977%0.76538%0.383SS*.THydrogen-bonded Turntrans52.741.1-176-165.751000114R53R53-N57 VanDerWaalsContact O-CA 3.26Å; R53-N57 WeakPolarHBondContact O-CA 3.45Å; R53-N57 PolarHBondContact O-N 2.98Å
58V91.5Very high89.4Confident10 Ų1073.1 Ų73.16%0.06136%0.358CS..  trans-108.5150.3-179-62.20000113.2I52 R53 Y56 L60 I74 E75 A80 I84I52-V58 HydrophobicContact CG2-CG2 4.47Å; R53-V58 PolarHBondContact O-N 3.01Å; Y56-V58 VanDerWaalsContact C-N 3.29Å; Y56-V58 PolarHBondContact O-N 3.13Å; V58-L60 HydrophobicContact CG2-CB 4.31Å; V58-L60 PolarHBondContact O-N 2.83Å; V58-I74 HydrophobicContact CB-CG2 4.11Å; V58-I74 HydrophobicContact CG1-CG2 4.44Å; V58-I74 HydrophobicContact CG2-CG2 4.15Å; V58-E75 WeakPolarHBondContact CA-O 2.9Å; V58-E75 WeakPolarHBondContact CB-O 3.39Å; V58-A80 HydrophobicContact CG1-CB 3.74Å; V58-I84 HydrophobicContact CB-CD1 4.2Å; V58-I84 HydrophobicContact CG1-CD1 3.79Å; V58-I84 HydrophobicContact CG2-CD1 3.45Å; V58-I84 VanDerWaalsContact CG2-CD1 3.45Å
59K92Very high89.3Confident127 Ų12771.6 Ų71.655%0.55235%0.35SS*.EExtended strand (participates in β ladder)trans-91.689168.5169.4164.5172.7-82.90109.2E75K59-E75 HydrophobicContact CB-CB 4.03Å; K59-E75 WeakPolarHBondContact CD-OE2 3.28Å; K59-E75 HydrophobicContact CG-CB 4.39Å; K59-E75 PolarHBondContact N-O 3.37Å; K59-E75 IonicContact NZ-OE1 3.65Å; K59-E75 PolarHBondContact NZ-OE1 3.21Å; K59-E75 IonicContact NZ-OE2 2.65Å; K59-E75 PolarHBondContact NZ-OE2 2.76Å; K59-E75 PolarHBondContact O-N 3.05Å
60L92.4Very high89.3Confident3 Ų372.7 Ų72.72%0.01635%0.353CS..EExtended strand (participates in β ladder)trans-93.6118.3176.7-159.5171.1000110.1I49 I52 R53 V58 I62 M72 T73 I74I49-L60 HydrophobicContact CD1-CD2 3.87Å; I49-L60 HydrophobicContact CG1-CD2 4.23Å; I52-L60 HydrophobicContact CB-CD1 4.5Å; I52-L60 HydrophobicContact CG2-CD1 3.61Å; R53-L60 HydrophobicContact CG-CB 4.07Å; R53-L60 PolarHBondContact NE-O 2.8Å; R53-L60 PolarHBondContact NH2-O 3.1Å; V58-L60 HydrophobicContact CG2-CB 4.31Å; V58-L60 PolarHBondContact O-N 2.83Å; L60-I62 HydrophobicContact CD2-CD1 3.9Å; L60-I62 HydrophobicContact CD2-CG1 3.73Å; L60-M72 HydrophobicContact CD2-CG 3.8Å; L60-M72 HydrophobicContact CD2-SD 4.42Å; L60-T73 CarbonylContact C-O 3.53Å; L60-T73 WeakPolarHBondContact CA-O 3.48Å; L60-I74 HydrophobicContact CG-CG1 4.24Å; L60-I74 HydrophobicContact CG-CG2 4.47Å
61N92.7Very high89.2Confident80 Ų8067.3 Ų67.343%0.42833%0.33SS..EExtended strand (participates in β ladder)trans-118.7139.6176.8-170.326.9000112.3M72 T73N61-M72 CarbonylContact O-C 3.31Å; N61-M72 WeakPolarHBondContact O-CA 3.4Å; N61-T73 PolarHBondContact N-O 3.13Å; N61-T73 PolarHBondContact O-N 3.22Å
62I91.2Very high89.2Confident17 Ų1761.3 Ų61.39%0.08730%0.304CS..  trans-14099.8174.2-55.7173.4000107.5A38 M41 I42 I49 L60 R70 M72A38-I62 HydrophobicContact CB-CG2 4.16Å; M41-I62 HydrophobicContact CB-CD1 4.27Å; I42-I62 HydrophobicContact CD1-CB 4.43Å; I42-I62 HydrophobicContact CD1-CD1 4.46Å; I42-I62 HydrophobicContact CD1-CG2 4.24Å; I42-I62 HydrophobicContact CG1-CD1 3.95Å; I49-I62 HydrophobicContact CD1-CD1 4.44Å; L60-I62 HydrophobicContact CD2-CD1 3.9Å; L60-I62 HydrophobicContact CD2-CG1 3.73Å; I62-R70 HydrophobicContact CG2-CB 4.46Å; I62-M72 HydrophobicContact CD1-CB 4.48Å; I62-M72 HydrophobicContact CD1-CG 3.94Å; I62-M72 HydrophobicContact CG1-CB 4.03Å; I62-M72 HydrophobicContact CG1-CG 3.69Å
63P88.8Confident89.2Confident62 Ų6262 Ų6240%0.40331%0.309SS..  trans-63.5153171.225.1-35000112.8S65 I71P63-S65 PolarHBondContact O-N 3.12Å; P63-I71 WeakPolarHBondContact CD-O 3.42Å
64D85.5Confident89.3Confident140 Ų14057.3 Ų57.375%0.74929%0.291SS*.  trans-78.9102.6172.2-89.2-59.8000111.3R70D64-R70 IonicContact OD1-CZ 2.63Å; D64-R70 IonicContact OD1-NH1 2.71Å; D64-R70 PolarHBondContact OD1-NH1 2.78Å; D64-R70 IonicContact OD1-NH2 3.12Å; D64-R70 PolarHBondContact OD1-NH2 3.33Å
65S80.3Confident89.2Confident16 Ų1655.1 Ų55.111%0.11227%0.27CS..  trans-89159.1164.380.10000111.4P63 G67 E69 R70P63-S65 PolarHBondContact O-N 3.12Å; S65-G67 PolarHBondContact OG-N 2.77Å; S65-E69 PolarHBondContact OG-O 3.15Å; S65-R70 PolarHBondContact O-NE 2.66Å; S65-R70 PolarHBondContact O-NH2 3.18Å; S65-R70 WeakPolarHBondContact OG-CG 3.45Å
66R78.4Confident89.1Confident257 Ų25751.3 Ų51.397%0.9726%0.255SS*.SBendtrans-91.7-6.4166.8-64.1-178.6-179.6173.80.5113.4
67G79.4Confident89.1Confident15 Ų1552.9 Ų52.916%0.15527%0.266CS..SBendtrans-82.7174.5-174.700000114.3S65 E69 F219S65-G67 PolarHBondContact OG-N 2.77Å; G67-E69 PolarHBondContact O-N 3.44Å; G67-F219 VanDerWaalsContact CA-CE1 3.43Å
68P85Confident89Confident26 Ų2646.2 Ų46.217%0.16923%0.23CC..SBendtrans-67.5-17.6173.730.7-36.5000112.8P34 G35 F219 W230P34-P68 CarbonylContact C-O 3.52Å; P34-P68 WeakPolarHBondContact CA-O 3.46Å; G35-P68 PolarHBondContact N-O 2.98Å; P68-F219 VanDerWaalsContact CD-CD2 3.44Å; P68-F219 HydrophobicContact CG-CD2 3.8Å; P68-F219 HydrophobicContact CG-CE2 3.88Å; P68-F219 HydrophobicContact CG-CG 4.43Å; P68-W230 VanDerWaalsContact CG-O 3.25Å; P68-W230 WeakPolarHBondContact CG-O 3.48Å
69E88.8Confident88.9Confident0 Ų050.7 Ų50.70%025%0.25CS..EExtended strand (participates in β ladder)trans-119.7158.1179.159.1-175-162.700113.1L32 I33 S65 G67 Y214 A216 F219 Y227 G229 W230L32-E69 HydrophobicContact CD1-CB 4.08Å; L32-E69 HydrophobicContact CD1-CG 4.16Å; I33-E69 CarbonylContact O-C 3.59Å; I33-E69 WeakPolarHBondContact O-CA 3.06Å; S65-E69 PolarHBondContact OG-O 3.15Å; G67-E69 PolarHBondContact O-N 3.44Å; E69-Y214 WeakPolarHBondContact OE1-CE1 3.34Å; E69-Y214 PolarHBondContact OE1-OH 3.22Å; E69-A216 HydrophobicContact CG-CB 4.2Å; E69-A216 WeakPolarHBondContact O-CB 3.41Å; E69-F219 HydrophobicContact CG-CB 4.28Å; E69-Y227 PolarHBondContact OE1-OH 2.91Å; E69-G229 WeakPolarHBondContact OE2-CA 3.35Å; E69-W230 HydrophobicContact CB-CB 4.14Å; E69-W230 HydrophobicContact CB-CG 4.49Å; E69-W230 PolarHBondContact OE2-N 3.1Å
70R91.8Very high88.9Confident38 Ų3845.1 Ų45.114%0.14323%0.228CC..EExtended strand (participates in β ladder)trans-141152.9177.3-79.2-179.9176.9-147.9-2.5109.7I33 A38 I62 D64 S65I33-R70 HydrophobicContact CG1-CB 4.27Å; I33-R70 VanDerWaalsContact CG1-O 3.29Å; I33-R70 WeakPolarHBondContact CG1-O 3.46Å; I33-R70 PolarHBondContact N-O 3.48Å; I33-R70 PolarHBondContact O-N 3.46Å; I33-R70 VanDerWaalsContact O-O 3.12Å; A38-R70 HydrophobicContact CB-CB 4.16Å; A38-R70 HydrophobicContact CB-CG 4.41Å; I62-R70 HydrophobicContact CG2-CB 4.46Å; D64-R70 IonicContact OD1-CZ 2.63Å; D64-R70 IonicContact OD1-NH1 2.71Å; D64-R70 PolarHBondContact OD1-NH1 2.78Å; D64-R70 IonicContact OD1-NH2 3.12Å; D64-R70 PolarHBondContact OD1-NH2 3.33Å; S65-R70 PolarHBondContact O-NE 2.66Å; S65-R70 PolarHBondContact O-NH2 3.18Å; S65-R70 WeakPolarHBondContact OG-CG 3.45Å
71I91.9Very high88.9Confident11 Ų1145 Ų456%0.05623%0.227CC..EExtended strand (participates in β ladder)trans-99130.7175.4-60.3174000108.2R30 F31 L32 P63 L138 Y214 A216R30-I71 HydrophobicContact CB-CG2 4.05Å; R30-I71 HydrophobicContact CG-CG2 4.33Å; F31-I71 WeakPolarHBondContact O-CA 3.44Å; L32-I71 HydrophobicContact CD1-CG1 4.15Å; P63-I71 WeakPolarHBondContact CD-O 3.42Å; I71-L138 HydrophobicContact CD1-CD1 3.77Å; I71-L138 HydrophobicContact CG1-CD1 3.82Å; I71-L138 HydrophobicContact CG2-CD1 4.07Å; I71-Y214 VanDerWaalsContact CD1-C 3.44Å; I71-Y214 HydrophobicContact CD1-CD1 3.7Å; I71-Y214 HydrophobicContact CD1-CE1 4.48Å; I71-Y214 HydrophobicContact CD1-CG 4.13Å; I71-Y214 WeakPolarHBondContact CD1-O 3.39Å; I71-Y214 HydrophobicContact CG1-CD1 4.37Å; I71-A216 HydrophobicContact CG1-CB 4.23Å
72M92.3Very high88.8Confident1 Ų141.4 Ų41.41%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-112.8110.7173.9-176.5-133.1-41.500107.9R30 F31 I33 M41 L60 N61 I62 I74R30-M72 WeakPolarHBondContact CA-O 3.43Å; F31-M72 HydrophobicContact CB-CB 4.29Å; F31-M72 HydrophobicContact CB-CE 3.93Å; F31-M72 HydrophobicContact CD2-CE 4.24Å; F31-M72 HydrophobicContact CD2-SD 4.06Å; F31-M72 HydrophobicContact CG-CE 4.17Å; F31-M72 PolarHBondContact N-O 3.37Å; F31-M72 PolarHBondContact O-N 3.47Å; I33-M72 HydrophobicContact CD1-CB 3.89Å; I33-M72 HydrophobicContact CD1-CE 4.21Å; I33-M72 HydrophobicContact CG1-CB 4.25Å; I33-M72 HydrophobicContact CG2-CE 3.78Å; M41-M72 HydrophobicContact CE-CE 3.45Å; M41-M72 VanDerWaalsContact CE-CE 3.45Å; M41-M72 HydrophobicContact CE-CG 4.44Å; M41-M72 HydrophobicContact CE-SD 3.53Å; M41-M72 VanDerWaalsContact CE-SD 3.53Å; M41-M72 HydrophobicContact SD-CE 3.4Å; M41-M72 WeakPolarHBondContact SD-CE 3.36Å; M41-M72 HydrophobicContact SD-SD 4.22Å; L60-M72 HydrophobicContact CD2-CG 3.8Å; L60-M72 HydrophobicContact CD2-SD 4.42Å; N61-M72 CarbonylContact O-C 3.31Å; N61-M72 WeakPolarHBondContact O-CA 3.4Å; I62-M72 HydrophobicContact CD1-CB 4.48Å; I62-M72 HydrophobicContact CD1-CG 3.94Å; I62-M72 HydrophobicContact CG1-CB 4.03Å; I62-M72 HydrophobicContact CG1-CG 3.69Å; M72-I74 HydrophobicContact CG-CG1 4.43Å; M72-I74 HydrophobicContact SD-CD1 3.56Å; M72-I74 VanDerWaalsContact SD-CD1 3.56Å; M72-I74 HydrophobicContact SD-CG1 3.62Å
73T93.5Very high88.8Confident21 Ų2142.3 Ų42.313%0.12922%0.217CC..EExtended strand (participates in β ladder)trans-91.6130174.5-49.40000108.6I29 R30 L60 N61 E75I29-T73 CarbonylContact O-C 3.6Å; I29-T73 WeakPolarHBondContact O-CA 3.48Å; R30-T73 HydrophobicContact CG-CG2 4.08Å; L60-T73 CarbonylContact C-O 3.53Å; L60-T73 WeakPolarHBondContact CA-O 3.48Å; N61-T73 PolarHBondContact N-O 3.13Å; N61-T73 PolarHBondContact O-N 3.22Å; T73-E75 HydrophobicContact CG2-CG 4.29Å
74I93.1Very high88.9Confident0 Ų039.4 Ų39.40%020%0.198CC..EExtended strand (participates in β ladder)trans-122.4123169.6-35.2-175.3000108.8I29 F31 V58 L60 M72 I81 I84I29-I74 PolarHBondContact N-O 2.65Å; I29-I74 PolarHBondContact O-N 3.42Å; F31-I74 HydrophobicContact CD2-CD1 4.06Å; F31-I74 HydrophobicContact CD2-CG1 4.02Å; F31-I74 HydrophobicContact CE2-CD1 3.62Å; F31-I74 HydrophobicContact CE2-CG1 3.85Å; V58-I74 HydrophobicContact CB-CG2 4.11Å; V58-I74 HydrophobicContact CG1-CG2 4.44Å; V58-I74 HydrophobicContact CG2-CG2 4.15Å; L60-I74 HydrophobicContact CG-CG1 4.24Å; L60-I74 HydrophobicContact CG-CG2 4.47Å; M72-I74 HydrophobicContact CG-CG1 4.43Å; M72-I74 HydrophobicContact SD-CD1 3.56Å; M72-I74 VanDerWaalsContact SD-CD1 3.56Å; M72-I74 HydrophobicContact SD-CG1 3.62Å; I74-I81 HydrophobicContact CB-CD1 4.26Å; I74-I81 HydrophobicContact CB-CG1 4.36Å; I74-I81 HydrophobicContact CD1-CG2 4.43Å; I74-I81 HydrophobicContact CG2-CD1 4.2Å; I74-I81 HydrophobicContact CG2-CG1 3.89Å; I74-I84 HydrophobicContact CD1-CG2 4.47Å; I74-I84 HydrophobicContact CG2-CD1 4.32Å
75E91.7Very high89.1Confident59 Ų5932.8 Ų32.828%0.27616%0.162SC..EExtended strand (participates in β ladder)trans-113.8129.2175.1-66.4162.1-12500110.2V27 V58 K59 T73V27-E75 CarbonylContact O-C 3.57Å; V27-E75 VanDerWaalsContact O-CA 3.27Å; V27-E75 WeakPolarHBondContact O-CA 3.23Å; V58-E75 WeakPolarHBondContact CA-O 2.9Å; V58-E75 WeakPolarHBondContact CB-O 3.39Å; K59-E75 HydrophobicContact CB-CB 4.03Å; K59-E75 WeakPolarHBondContact CD-OE2 3.28Å; K59-E75 HydrophobicContact CG-CB 4.39Å; K59-E75 PolarHBondContact N-O 3.37Å; K59-E75 IonicContact NZ-OE1 3.65Å; K59-E75 PolarHBondContact NZ-OE1 3.21Å; K59-E75 IonicContact NZ-OE2 2.65Å; K59-E75 PolarHBondContact NZ-OE2 2.76Å; K59-E75 PolarHBondContact O-N 3.05Å; T73-E75 HydrophobicContact CG2-CG 4.29Å
76G89.9Confident89.5Confident12 Ų1238 Ų3812%0.12418%0.18CC..EExtended strand (participates in β ladder)trans150.3-160.5175.900000114T25 V27T25-G76 CarbonylContact O-C 3.58Å; V27-G76 WeakPolarHBondContact CB-O 3.18Å; V27-G76 PolarHBondContact N-O 2.86Å; V27-G76 VanDerWaalsContact N-O 3.11Å; V27-G76 PolarHBondContact O-N 2.95Å
77D90.8Very high90Very high72 Ų7229.2 Ų29.239%0.38515%0.152SC..  trans-62.5138.3-178.6-71.6-69000113T25 Q79 A80 I81T25-D77 WeakPolarHBondContact CA-OD1 3.4Å; T25-D77 PolarHBondContact O-N 3.11Å; D77-Q79 PolarHBondContact O-N 3.47Å; D77-Q79 VanDerWaalsContact O-N 3.13Å; D77-A80 HydrophobicContact CB-CB 3.95Å; D77-A80 WeakPolarHBondContact O-CB 3.29Å; D77-A80 PolarHBondContact O-N 3.29Å; D77-I81 WeakPolarHBondContact O-CG1 3.44Å; D77-I81 PolarHBondContact O-N 2.9Å
78L88.6Confident90.3Very high3 Ų328.6 Ų28.62%0.01615%0.145CC..Hα-helixtrans-52.7-37.4173.7179.360.3000113.1L24 C82 R196 I199 E200L24-L78 HydrophobicContact CB-CB 4.24Å; L24-L78 HydrophobicContact CB-CD2 4.34Å; L24-L78 HydrophobicContact CD1-CD2 3.92Å; L24-L78 HydrophobicContact CD2-CD2 4.29Å; L24-L78 HydrophobicContact CG-CD2 4.4Å; L24-L78 PolarHBondContact O-N 2.78Å; L78-C82 WeakPolarHBondContact O-CB 3.5Å; L78-C82 PolarHBondContact O-N 3.31Å; L78-C82 PolarHBondContact O-SG 2.78Å; L78-R196 HydrophobicContact CD1-CG 4.05Å; L78-R196 HydrophobicContact CD2-CG 3.86Å; L78-R196 HydrophobicContact CG-CG 4.07Å; L78-I199 HydrophobicContact CD1-CB 4.02Å; L78-I199 HydrophobicContact CD1-CD1 3.72Å; L78-I199 HydrophobicContact CD1-CG1 4.5Å; L78-I199 HydrophobicContact CD1-CG2 3.75Å; L78-E200 HydrophobicContact CD2-CG 3.92Å
79Q90Very high90.3Very high104 Ų10427.5 Ų27.549%0.48614%0.138SC..Hα-helixtrans-73.4-35.2178.7-57.1-52.9-41.800112.7D77 S83D77-Q79 PolarHBondContact O-N 3.47Å; D77-Q79 VanDerWaalsContact O-N 3.13Å; Q79-S83 WeakPolarHBondContact O-CB 3.48Å; Q79-S83 PolarHBondContact O-N 2.89Å; Q79-S83 PolarHBondContact O-OG 2.84Å
80A91.6Very high90.1Very high10 Ų1032 Ų328%0.08317%0.167CC..Hα-helixtrans-64-47.8173.900000110.1V58 D77 C82 S83 I84V58-A80 HydrophobicContact CG1-CB 3.74Å; D77-A80 HydrophobicContact CB-CB 3.95Å; D77-A80 WeakPolarHBondContact O-CB 3.29Å; D77-A80 PolarHBondContact O-N 3.29Å; A80-C82 PolarHBondContact O-N 3.07Å; A80-S83 PolarHBondContact O-N 2.68Å; A80-S83 VanDerWaalsContact O-N 3.11Å; A80-I84 VanDerWaalsContact O-CG1 3.28Å; A80-I84 WeakPolarHBondContact O-CG1 3.42Å; A80-I84 PolarHBondContact O-N 2.86Å
81I91.2Very high89.7Confident0 Ų034.4 Ų34.40%018%0.178CC..Hα-helixtrans-60.2-47.2177.4-62.3179.7000111.1V27 I29 F31 I74 D77 S83 I84 M85V27-I81 HydrophobicContact CB-CD1 4.5Å; V27-I81 HydrophobicContact CG1-CD1 4.4Å; I29-I81 HydrophobicContact CD1-CD1 3.79Å; I29-I81 HydrophobicContact CD1-CG2 4.04Å; F31-I81 HydrophobicContact CZ-CG2 4.42Å; I74-I81 HydrophobicContact CB-CD1 4.26Å; I74-I81 HydrophobicContact CB-CG1 4.36Å; I74-I81 HydrophobicContact CD1-CG2 4.43Å; I74-I81 HydrophobicContact CG2-CD1 4.2Å; I74-I81 HydrophobicContact CG2-CG1 3.89Å; D77-I81 WeakPolarHBondContact O-CG1 3.44Å; D77-I81 PolarHBondContact O-N 2.9Å; I81-S83 VanDerWaalsContact C-N 3.25Å; I81-S83 PolarHBondContact O-N 2.9Å; I81-I84 PolarHBondContact O-N 2.93Å; I81-M85 WeakPolarHBondContact O-CG 3.18Å; I81-M85 PolarHBondContact O-N 2.8Å; I81-M85 VanDerWaalsContact O-N 3.09Å
82C90.7Very high89.2Confident5 Ų533.9 Ų33.93%0.03418%0.176CC..Hα-helixtrans-58.8-36.5175.4-68.20000112.9L78 A80 R86 V192L78-C82 WeakPolarHBondContact O-CB 3.5Å; L78-C82 PolarHBondContact O-N 3.31Å; L78-C82 PolarHBondContact O-SG 2.78Å; A80-C82 PolarHBondContact O-N 3.07Å; C82-R86 PolarHBondContact O-N 2.81Å; C82-V192 HydrophobicContact CB-CG1 3.94Å; C82-V192 WeakPolarHBondContact O-CG1 3.49Å
83S91.4Very high88.6Confident37 Ų3737 Ų3726%0.25919%0.189SC..Hα-helixtrans-72.7-42.8179.5-56.60000112.4Q79 A80 I81 M85 R86 D87Q79-S83 WeakPolarHBondContact O-CB 3.48Å; Q79-S83 PolarHBondContact O-N 2.89Å; Q79-S83 PolarHBondContact O-OG 2.84Å; A80-S83 PolarHBondContact O-N 2.68Å; A80-S83 VanDerWaalsContact O-N 3.11Å; I81-S83 VanDerWaalsContact C-N 3.25Å; I81-S83 PolarHBondContact O-N 2.9Å; S83-M85 PolarHBondContact O-N 3.42Å; S83-R86 WeakPolarHBondContact O-CB 3.29Å; S83-R86 PolarHBondContact O-N 2.83Å; S83-R86 VanDerWaalsContact O-N 3.16Å; S83-D87 PolarHBondContact O-N 2.94Å; S83-D87 VanDerWaalsContact O-N 3.09Å
84I91.4Very high87.7Confident0 Ų042.3 Ų42.30%022%0.217CC..Hα-helixtrans-56.1-43.5173.6-67.4162.5000110.6I52 Y56 V58 I74 A80 I81 R86 D87 V88I52-I84 HydrophobicContact CG2-CD1 4.02Å; I52-I84 HydrophobicContact CG2-CG1 3.96Å; I52-I84 HydrophobicContact CG2-CG2 3.95Å; Y56-I84 HydrophobicContact CD1-CG1 4.15Å; Y56-I84 HydrophobicContact CD2-CD1 4.1Å; Y56-I84 HydrophobicContact CD2-CG1 3.36Å; Y56-I84 HydrophobicContact CE1-CG1 4.49Å; Y56-I84 HydrophobicContact CE2-CG1 3.74Å; Y56-I84 HydrophobicContact CG-CD1 4.05Å; Y56-I84 HydrophobicContact CG-CG1 3.57Å; V58-I84 HydrophobicContact CB-CD1 4.2Å; V58-I84 HydrophobicContact CG1-CD1 3.79Å; V58-I84 HydrophobicContact CG2-CD1 3.45Å; V58-I84 VanDerWaalsContact CG2-CD1 3.45Å; I74-I84 HydrophobicContact CD1-CG2 4.47Å; I74-I84 HydrophobicContact CG2-CD1 4.32Å; A80-I84 VanDerWaalsContact O-CG1 3.28Å; A80-I84 WeakPolarHBondContact O-CG1 3.42Å; A80-I84 PolarHBondContact O-N 2.86Å; I81-I84 PolarHBondContact O-N 2.93Å; I84-R86 VanDerWaalsContact C-N 3.32Å; I84-R86 PolarHBondContact O-N 3.33Å; I84-D87 PolarHBondContact O-N 3.34Å; I84-V88 HydrophobicContact CG2-CG2 4.07Å; I84-V88 VanDerWaalsContact O-CB 3.29Å; I84-V88 WeakPolarHBondContact O-CB 3.45Å; I84-V88 WeakPolarHBondContact O-CG2 3.21Å; I84-V88 PolarHBondContact O-N 3.41Å
85M89.4Confident87Confident1 Ų143.1 Ų43.11%0.00522%0.221CC..Hα-helixtrans-64.8-37.1-178.8-63.8-65.6-80.700111.4F31 I81 S83 V88 C89 F135 V192 L195F31-M85 HydrophobicContact CD1-CE 3.81Å; F31-M85 HydrophobicContact CE1-CE 3.29Å; F31-M85 HydrophobicContact CE1-SD 4.11Å; F31-M85 HydrophobicContact CE2-SD 4.43Å; F31-M85 HydrophobicContact CZ-CE 3.75Å; F31-M85 HydrophobicContact CZ-SD 3.99Å; I81-M85 WeakPolarHBondContact O-CG 3.18Å; I81-M85 PolarHBondContact O-N 2.8Å; I81-M85 VanDerWaalsContact O-N 3.09Å; S83-M85 PolarHBondContact O-N 3.42Å; M85-V88 PolarHBondContact O-N 2.94Å; M85-C89 WeakPolarHBondContact O-CB 3.5Å; M85-C89 PolarHBondContact O-N 3.28Å; M85-C89 PolarHBondContact O-SG 3.34Å; M85-F135 HydrophobicContact CE-CD1 3.32Å; M85-F135 HydrophobicContact CE-CE1 3.13Å; M85-F135 HydrophobicContact CE-CE2 4.45Å; M85-F135 HydrophobicContact CE-CG 4.06Å; M85-F135 HydrophobicContact CE-CZ 3.75Å; M85-F135 HydrophobicContact SD-CE1 4.2Å; M85-V192 HydrophobicContact CB-CG2 3.88Å; M85-L195 HydrophobicContact CB-CD2 4.43Å; M85-L195 HydrophobicContact CE-CD2 3.77Å; M85-L195 HydrophobicContact CG-CD2 3.87Å
86R89.3Confident86.2Confident127 Ų12740.4 Ų40.448%0.47921%0.208SC..Hα-helixtrans-62.9-44.4170.9-67.5179.1-175.6142.51.1112.8C82 S83 I84 V88 P90 V192C82-R86 PolarHBondContact O-N 2.81Å; S83-R86 WeakPolarHBondContact O-CB 3.29Å; S83-R86 PolarHBondContact O-N 2.83Å; S83-R86 VanDerWaalsContact O-N 3.16Å; I84-R86 VanDerWaalsContact C-N 3.32Å; I84-R86 PolarHBondContact O-N 3.33Å; R86-V88 PolarHBondContact O-N 2.9Å; R86-P90 WeakPolarHBondContact O-CD 3.18Å; R86-V192 HydrophobicContact CG-CB 4.47Å; R86-V192 HydrophobicContact CG-CG1 4.16Å; R86-V192 HydrophobicContact CG-CG2 4.03Å
87D88.5Confident85.5Confident72 Ų7240.7 Ų40.739%0.38521%0.207SC..Hα-helixtrans-66.3-23.8177.5-95.953.6000113.5Y56 S83 I84Y56-D87 PolarHBondContact OH-OD1 3.11Å; Y56-D87 VanDerWaalsContact OH-OD1 3.06Å; Y56-D87 PolarHBondContact OH-OD2 3.05Å; S83-D87 PolarHBondContact O-N 2.94Å; S83-D87 VanDerWaalsContact O-N 3.09Å; I84-D87 PolarHBondContact O-N 3.34Å
88V85.9Confident84.2Confident2 Ų237.4 Ų37.41%0.01219%0.19CC..Hα-helixtrans-94.8-32.5-177.8168.70000112M41 I52 I84 M85 R86 K91 L92M41-V88 HydrophobicContact CE-CG1 3.89Å; M41-V88 HydrophobicContact CE-CG2 3.89Å; M41-V88 HydrophobicContact CG-CG1 4.16Å; M41-V88 HydrophobicContact SD-CG1 3.86Å; I52-V88 HydrophobicContact CD1-CG2 4.15Å; I84-V88 HydrophobicContact CG2-CG2 4.07Å; I84-V88 VanDerWaalsContact O-CB 3.29Å; I84-V88 WeakPolarHBondContact O-CB 3.45Å; I84-V88 WeakPolarHBondContact O-CG2 3.21Å; I84-V88 PolarHBondContact O-N 3.41Å; M85-V88 PolarHBondContact O-N 2.94Å; R86-V88 PolarHBondContact O-N 2.9Å; V88-K91 WeakPolarHBondContact O-CB 3.5Å; V88-K91 PolarHBondContact O-N 3.43Å; V88-L92 HydrophobicContact CG1-CD1 3.35Å; V88-L92 HydrophobicContact CG1-CG 3.73Å; V88-L92 PolarHBondContact O-N 3.2Å; V88-L92 VanDerWaalsContact O-N 3.1Å
89C85.1Confident82.8Confident2 Ų240 Ų401%0.01420%0.201CC..Hα-helixtrans-47.6-55.5178.6-86.80000113.4M85 K91 L92 K93 I133 F135 P188M85-C89 WeakPolarHBondContact O-CB 3.5Å; M85-C89 PolarHBondContact O-N 3.28Å; M85-C89 PolarHBondContact O-SG 3.34Å; C89-K91 VanDerWaalsContact C-N 3.27Å; C89-K91 PolarHBondContact O-N 3.09Å; C89-L92 PolarHBondContact O-N 3.09Å; C89-K93 PolarHBondContact O-N 3.43Å; C89-K93 VanDerWaalsContact O-N 3.09Å; C89-I133 HydrophobicContact CB-CD1 3.68Å; C89-I133 WeakPolarHBondContact O-CD1 3.37Å; C89-F135 WeakPolarHBondContact SG-CE2 3Å; C89-P188 HydrophobicContact CB-CB 3.73Å
90P83.6Confident81.3Confident96 Ų9638.8 Ų38.862%0.62320%0.198SC*.Hα-helixtrans-60-33.8178-24.734.1000113.8R86 L92R86-P90 WeakPolarHBondContact O-CD 3.18Å; P90-L92 VanDerWaalsContact C-N 3.34Å
91K83.7Confident79.7Confident87 Ų8738.6 Ų38.638%0.37820%0.196SC..Hα-helixtrans-76-20.7-178.1-60.9176.2-1771690113.3I40 N48 V88 C89I40-K91 HydrophobicContact CG2-CB 4.05Å; N48-K91 PolarHBondContact OD1-NZ 2.87Å; V88-K91 WeakPolarHBondContact O-CB 3.5Å; V88-K91 PolarHBondContact O-N 3.43Å; C89-K91 VanDerWaalsContact C-N 3.27Å; C89-K91 PolarHBondContact O-N 3.09Å
92L82.3Confident78.3Confident1 Ų140.7 Ų40.71%0.00521%0.207CC..Hα-helixtrans-111.1-3.7-177.1-62.9-171.3000114.1A37 I40 M41 V88 C89 P90 D94 I95 M96A37-L92 HydrophobicContact CB-CD1 3.97Å; A37-L92 HydrophobicContact CB-CD2 3.62Å; A37-L92 HydrophobicContact CB-CG 4.39Å; I40-L92 HydrophobicContact CB-CD2 4.05Å; I40-L92 HydrophobicContact CG2-CD2 4.09Å; M41-L92 HydrophobicContact CG-CD1 4.12Å; M41-L92 HydrophobicContact CG-CD2 4.36Å; M41-L92 HydrophobicContact SD-CD1 3.86Å; V88-L92 HydrophobicContact CG1-CD1 3.35Å; V88-L92 HydrophobicContact CG1-CG 3.73Å; V88-L92 PolarHBondContact O-N 3.2Å; V88-L92 VanDerWaalsContact O-N 3.1Å; C89-L92 PolarHBondContact O-N 3.09Å; P90-L92 VanDerWaalsContact C-N 3.34Å; L92-D94 PolarHBondContact O-N 3.31Å; L92-D94 VanDerWaalsContact O-N 3.14Å; L92-I95 PolarHBondContact O-N 3.34Å; L92-M96 HydrophobicContact CB-CE 3.84Å; L92-M96 HydrophobicContact CB-CG 4.35Å; L92-M96 HydrophobicContact CB-SD 4.43Å; L92-M96 HydrophobicContact CD1-CE 3.56Å; L92-M96 HydrophobicContact CD1-SD 3.85Å; L92-M96 HydrophobicContact CG-CE 4.38Å; L92-M96 PolarHBondContact O-N 2.91Å
93K79.3Confident76.6Confident66 Ų6641.7 Ų41.729%0.28721%0.214SC..THydrogen-bonded Turntrans-47.1-42.9180-163.9-165.5-173.6-158.70112.8C89 I95 N97 E130 N131C89-K93 PolarHBondContact O-N 3.43Å; C89-K93 VanDerWaalsContact O-N 3.09Å; K93-I95 VanDerWaalsContact C-N 3.33Å; K93-I95 PolarHBondContact O-N 2.84Å; K93-N97 VanDerWaalsContact O-CB 3.3Å; K93-N97 WeakPolarHBondContact O-CB 3.47Å; K93-N97 PolarHBondContact O-N 3.05Å; K93-N97 PolarHBondContact O-ND2 3.16Å; K93-E130 WeakPolarHBondContact CE-O 3.43Å; K93-N131 WeakPolarHBondContact CE-OD1 3.15Å; K93-N131 PolarHBondContact NZ-OD1 3.41Å
94D75.1Confident74.9Confident132 Ų13247.3 Ų47.371%0.70623%0.233SC*.THydrogen-bonded Turntrans-75.5-19.1-176.9-51.3-24.7000113.8L92L92-D94 PolarHBondContact O-N 3.31Å; L92-D94 VanDerWaalsContact O-N 3.14Å
95I77.7Confident73.3Confident18 Ų1850.3 Ų50.39%0.09225%0.245CC..THydrogen-bonded Turntrans-102.9-40.4-174.8-61.2179.9000111.3P34 R36 A37 I40 L92 K93P34-I95 HydrophobicContact CB-CG2 4.47Å; P34-I95 HydrophobicContact CG-CG2 3.66Å; R36-I95 HydrophobicContact CB-CD1 4.01Å; R36-I95 HydrophobicContact CB-CG2 3.99Å; A37-I95 HydrophobicContact CB-CG2 4.07Å; I40-I95 HydrophobicContact CD1-CD1 3.49Å; I40-I95 VanDerWaalsContact CD1-CD1 3.49Å; I40-I95 HydrophobicContact CG1-CD1 4.14Å; L92-I95 PolarHBondContact O-N 3.34Å; K93-I95 VanDerWaalsContact C-N 3.33Å; K93-I95 PolarHBondContact O-N 2.84Å
96M75.4Confident71.6Confident1 Ų151.4 Ų51.41%0.00525%0.25CS..SBendtrans-105.723.5-176.3-53.3-167.8-39.100111.9I33 P34 A37 L92 I133 D134 F135 W230I33-M96 HydrophobicContact CG2-SD 4.25Å; P34-M96 HydrophobicContact CG-CG 3.99Å; P34-M96 HydrophobicContact CG-SD 4.44Å; A37-M96 HydrophobicContact CB-CG 4.32Å; A37-M96 HydrophobicContact CB-SD 4.09Å; L92-M96 HydrophobicContact CB-CE 3.84Å; L92-M96 HydrophobicContact CB-CG 4.35Å; L92-M96 HydrophobicContact CB-SD 4.43Å; L92-M96 HydrophobicContact CD1-CE 3.56Å; L92-M96 HydrophobicContact CD1-SD 3.85Å; L92-M96 HydrophobicContact CG-CE 4.38Å; L92-M96 PolarHBondContact O-N 2.91Å; M96-I133 HydrophobicContact CB-CG2 3.96Å; M96-I133 HydrophobicContact CE-CG2 3.8Å; M96-D134 PolarHBondContact O-N 3.17Å; M96-F135 HydrophobicContact CE-CD1 3.77Å; M96-F135 HydrophobicContact CE-CE1 3.35Å; M96-F135 HydrophobicContact CE-CE2 4.33Å; M96-F135 HydrophobicContact CE-CG 4.43Å; M96-F135 HydrophobicContact CE-CZ 3.69Å; M96-W230 HydrophobicContact CB-CH2 4.19Å; M96-W230 HydrophobicContact CG-CH2 4.32Å
97N74.3Confident69.7Low18 Ų1849.3 Ų49.310%0.09625%0.247CC..BIsolated β-bridgetrans-58.6140.6177.1-159.2-76.6000111.6K93 K99 L100 D129 E130K93-N97 VanDerWaalsContact O-CB 3.3Å; K93-N97 WeakPolarHBondContact O-CB 3.47Å; K93-N97 PolarHBondContact O-N 3.05Å; K93-N97 PolarHBondContact O-ND2 3.16Å; N97-K99 PolarHBondContact O-N 3.37Å; N97-K99 VanDerWaalsContact O-N 3.11Å; N97-K99 WeakPolarHBondContact OD1-CB 3.48Å; N97-K99 PolarHBondContact OD1-N 3.02Å; N97-L100 HydrophobicContact CB-CD1 4.18Å; N97-L100 PolarHBondContact O-N 3.22Å; N97-D129 PolarHBondContact OD1-O 3.03Å; N97-E130 PolarHBondContact ND2-O 3.17Å
98A62.9Low67.9Low3 Ų348.5 Ų48.53%0.02526%0.255CS..G310 helixtrans-52.5-31.9174.300000113.7L100 S101 D102 M132 V185A98-L100 VanDerWaalsContact C-N 3.26Å; A98-L100 PolarHBondContact O-N 3.3Å; A98-S101 PolarHBondContact O-N 2.75Å; A98-S101 PolarHBondContact O-OG 2.87Å; A98-D102 PolarHBondContact O-N 3Å; A98-M132 HydrophobicContact CB-CB 3.95Å; A98-M132 PolarHBondContact N-O 3.12Å; A98-V185 HydrophobicContact CB-CG1 3.52Å
99K60Low66.3Low58 Ų5853.3 Ų53.325%0.25229%0.285SS..G310 helixtrans-66.1-23177.5-64.2-168.7-179.6-174.40113.5N97 D126 E130N97-K99 PolarHBondContact O-N 3.37Å; N97-K99 VanDerWaalsContact O-N 3.11Å; N97-K99 WeakPolarHBondContact OD1-CB 3.48Å; N97-K99 PolarHBondContact OD1-N 3.02Å; K99-D126 WeakPolarHBondContact CE-O 3.25Å; K99-D126 PolarHBondContact NZ-O 3.27Å; K99-D126 IonicContact NZ-OD1 2.8Å; K99-E130 HydrophobicContact CD-CG 3.94Å; K99-E130 IonicContact NZ-OE1 2.71Å; K99-E130 PolarHBondContact NZ-OE1 2.91Å
100L58.2Low64.7Low78 Ų7860.5 Ų60.541%0.40832%0.318SS..G310 helixtrans-95.1-4.2179.3-8681.4000114.1N97 A98 I106N97-L100 HydrophobicContact CB-CD1 4.18Å; N97-L100 PolarHBondContact O-N 3.22Å; A98-L100 VanDerWaalsContact C-N 3.26Å; A98-L100 PolarHBondContact O-N 3.3Å; L100-I106 WeakPolarHBondContact O-CD1 3.38Å
101S59.1Low63Low7 Ų759.1 Ų59.15%0.04932%0.321CS..THydrogen-bonded Turntrans-129.6-20.3-159.972.70000116.1A98 P103 D134 R136A98-S101 PolarHBondContact O-N 2.75Å; A98-S101 PolarHBondContact O-OG 2.87Å; S101-P103 WeakPolarHBondContact O-CD 3.42Å; S101-D134 WeakPolarHBondContact CB-OD2 3.36Å; S101-D134 WeakPolarHBondContact OG-CB 3.48Å; S101-D134 PolarHBondContact OG-OD2 3.2Å; S101-R136 PolarHBondContact O-NH2 2.87Å; S101-R136 VanDerWaalsContact O-NH2 3.13Å
102D60.7Low61.1Low44 Ų4460.2 Ų60.224%0.23534%0.34CS..  trans-86.4113.1168-178.5-4000110.5A98 K104 R105 I106A98-D102 PolarHBondContact O-N 3Å; D102-K104 PolarHBondContact O-N 3.31Å; D102-K104 VanDerWaalsContact O-N 3.07Å; D102-K104 WeakPolarHBondContact OD1-CB 3.33Å; D102-K104 PolarHBondContact OD1-N 2.79Å; D102-R105 HydrophobicContact CB-CG 4.06Å; D102-R105 PolarHBondContact O-N 2.86Å; D102-I106 WeakPolarHBondContact O-CG1 3Å; D102-I106 PolarHBondContact O-N 2.74Å; D102-I106 VanDerWaalsContact O-N 3.13Å
103P54.5Low59.5Low26 Ų2671.9 Ų71.917%0.16938%0.384CS..Hα-helixtrans-56.9-26.9179.722.9-33.7000113.7S101 R105 I106 M107 L225S101-P103 WeakPolarHBondContact O-CD 3.42Å; P103-R105 PolarHBondContact O-N 3.14Å; P103-I106 PolarHBondContact O-N 3.13Å; P103-M107 HydrophobicContact CB-CE 4.26Å; P103-M107 VanDerWaalsContact O-CB 3.31Å; P103-M107 WeakPolarHBondContact O-CB 3.36Å; P103-M107 WeakPolarHBondContact O-CG 3.48Å; P103-M107 PolarHBondContact O-N 3.41Å; P103-L225 HydrophobicContact CB-CD1 3.8Å; P103-L225 HydrophobicContact CB-CD2 3.8Å; P103-L225 HydrophobicContact CB-CG 4.42Å; P103-L225 HydrophobicContact CG-CD1 4.45Å; P103-L225 HydrophobicContact CG-CD2 4.02Å
104K57.4Low58Low155 Ų15580.1 Ų80.167%0.67441%0.414SS*.Hα-helixtrans-66-25.5177.3-63.7-178.5176.2-177.20113.1D102D102-K104 PolarHBondContact O-N 3.31Å; D102-K104 VanDerWaalsContact O-N 3.07Å; D102-K104 WeakPolarHBondContact OD1-CB 3.33Å; D102-K104 PolarHBondContact OD1-N 2.79Å
105R56.8Low56.5Low63 Ų6384.6 Ų84.624%0.23842%0.42CS..Hα-helixtrans-89.6-40.6176-53.1-174.890.51497.7110.9D102 P103 G108 D126 D129D102-R105 HydrophobicContact CB-CG 4.06Å; D102-R105 PolarHBondContact O-N 2.86Å; P103-R105 PolarHBondContact O-N 3.14Å; R105-G108 PolarHBondContact O-N 2.61Å; R105-D126 IonicContact NH2-OD1 2.79Å; R105-D129 IonicContact CZ-OD1 3.07Å; R105-D129 IonicContact CZ-OD2 3.32Å; R105-D129 VanDerWaalsContact CZ-OD2 3.29Å; R105-D129 IonicContact NH1-OD1 3.29Å; R105-D129 PolarHBondContact NH1-OD1 3.47Å; R105-D129 IonicContact NH1-OD2 2.68Å; R105-D129 PolarHBondContact NH1-OD2 3.16Å; R105-D129 VanDerWaalsContact NH2-CG 3.25Å; R105-D129 IonicContact NH2-OD1 3.27Å; R105-D129 IonicContact NH2-OD2 2.87Å; R105-D129 PolarHBondContact NH2-OD2 3.41Å
106I54.8Low55Low23 Ų2389.5 Ų89.512%0.11845%0.454CS..Hα-helixtrans-56.8-51.3175.2-59.2171000110.1L100 D102 P103 G108 A236 L239 A240L100-I106 WeakPolarHBondContact O-CD1 3.38Å; D102-I106 WeakPolarHBondContact O-CG1 3Å; D102-I106 PolarHBondContact O-N 2.74Å; D102-I106 VanDerWaalsContact O-N 3.13Å; P103-I106 PolarHBondContact O-N 3.13Å; I106-G108 PolarHBondContact O-N 2.8Å; I106-A236 WeakPolarHBondContact CG2-O 3.33Å; I106-L239 HydrophobicContact CG2-CB 3.71Å; I106-A240 HydrophobicContact CG2-CB 4.12Å; I106-A240 WeakPolarHBondContact O-CA 3.44Å
107M49Very low53.6Low83 Ų83100.2 Ų100.241%0.40949%0.494SS..THydrogen-bonded Turntrans-65.817.7-175.2-69.4170.8175.500115.6P103 T109 L225 L239P103-M107 HydrophobicContact CB-CE 4.26Å; P103-M107 VanDerWaalsContact O-CB 3.31Å; P103-M107 WeakPolarHBondContact O-CB 3.36Å; P103-M107 WeakPolarHBondContact O-CG 3.48Å; P103-M107 PolarHBondContact O-N 3.41Å; M107-T109 PolarHBondContact O-N 3.47Å; M107-T109 PolarHBondContact O-OG1 3.3Å; M107-L225 HydrophobicContact CE-CD1 3.88Å; M107-L239 HydrophobicContact CE-CD2 3.81Å; M107-L239 HydrophobicContact CG-CD2 4.44Å
108G50.4Low52.6Low55 Ų55111.7 Ų111.757%0.56754%0.536SS*.SBendtrans62.29.5178.800000114.5R105 I106 Q110R105-G108 PolarHBondContact O-N 2.61Å; I106-G108 PolarHBondContact O-N 2.8Å; G108-Q110 PolarHBondContact O-N 2.82Å
109T52Low51.8Low103 Ų103115.3 Ų115.363%0.63256%0.561SS**  trans-80.138.5-179.9-41.40000111M107M107-T109 PolarHBondContact O-N 3.47Å; M107-T109 PolarHBondContact O-OG1 3.3Å
110Q51.6Low51.2Low153 Ų153121.2 Ų121.272%0.71559%0.589SS**  trans-53.4141.7158.6-78.8-162.8-4000108.7G108 S112G108-Q110 PolarHBondContact O-N 2.82Å; Q110-S112 PolarHBondContact O-N 2.86Å
111G46.8Very low50.8Low67 Ų67121.4 Ų121.469%0.69159%0.591SS**  trans-51.5122.2-157.900000114R113G111-R113 WeakPolarHBondContact O-CA 3.44Å; G111-R113 PolarHBondContact O-N 2.88Å
112S45.3Very low50.5Low111 Ų111125.5 Ų125.578%0.77662%0.617SS**  trans-40.4116.1167.11650000109.3Q110 R114Q110-S112 PolarHBondContact O-N 2.86Å; S112-R114 PolarHBondContact O-N 3.08Å
113R47.4Very low50.1Low246 Ų246130.8 Ų130.893%0.92864%0.641SS**  trans-53.169.4-152.1-58.2175.9-172.3145.21115.5G111 R115G111-R113 WeakPolarHBondContact O-CA 3.44Å; G111-R113 PolarHBondContact O-N 2.88Å; R113-R115 PolarHBondContact O-N 2.86Å
114R48.6Very low50Low239 Ų239137 Ų13790%0.90266%0.661SS**  trans-67.4102.3168.6-75.9-179.5176.9-175.2-0.4106.1S112S112-R114 PolarHBondContact O-N 3.08Å
115R44.1Very low49.8Very low225 Ų225135 Ų13585%0.84966%0.657SS**  trans-36.8127.2-179.9-57.4171.676-177.46.4109.1R113 R117R113-R115 PolarHBondContact O-N 2.86Å; R115-R117 PolarHBondContact O-N 3.21Å; R115-R117 VanDerWaalsContact O-N 3.11Å
116P46.7Very low49.8Very low121 Ų121135.2 Ų135.279%0.78666%0.663SS**  trans-52124.3-174.520-32.2000109.1R118P116-R118 PolarHBondContact O-N 2.84Å
117R46.1Very low50.1Low226 Ų226140.4 Ų140.485%0.85369%0.687SS**  trans-65136.6171.6-80.8-176.6166.7176-5.3106.7R115 S119R115-R117 PolarHBondContact O-N 3.21Å; R115-R117 VanDerWaalsContact O-N 3.11Å; R117-S119 PolarHBondContact O-N 3.1Å
118R52.1Low50.7Low259 Ų259142.1 Ų142.198%0.97769%0.694SS**SBendtrans-82.557.4-163.6-167.5-173.8175.5-1430.3111.2P116P116-R118 PolarHBondContact O-N 2.84Å
119S46Very low51.4Low79 Ų79139.6 Ų139.655%0.55267%0.668SS**SBendtrans-172.7133.2-177.550.50000108.9R117R117-S119 PolarHBondContact O-N 3.1Å
120E47.4Very low52.1Low182 Ų182139.6 Ų139.685%0.8566%0.66SS**SBendtrans76.3138.8175.3-56.5166.3130.600114.9
121D49.4Very low53.3Low82 Ų82135.7 Ų135.744%0.43964%0.644SS.*  trans-84.1119.8-161.8-56.6-44.7000112.1E123 R124D121-E123 PolarHBondContact O-N 2.98Å; D121-R124 HydrophobicContact CB-CG 4.1Å; D121-R124 PolarHBondContact O-N 2.96Å; D121-R124 IonicContact OD2-CZ 2.94Å; D121-R124 IonicContact OD2-NE 2.77Å; D121-R124 PolarHBondContact OD2-NE 2.84Å; D121-R124 IonicContact OD2-NH2 3.41Å; D121-R124 PolarHBondContact OD2-NH2 2.87Å
122P54.4Low55.1Low93 Ų93133 Ų13360%0.60461%0.614SS**Hα-helixtrans-70.1-16-179.829.9-35.9000113.6R124P122-R124 VanDerWaalsContact C-N 3.34Å
123E51.6Low57.1Low155 Ų155127.9 Ų127.972%0.72458%0.578SS**Hα-helixtrans-71.4-28.9-178.7-63176.4161.500111.9D121 E127D121-E123 PolarHBondContact O-N 2.98Å; E123-E127 PolarHBondContact O-N 2.84Å
124R51.6Low59Low157 Ų157116.1 Ų116.159%0.59253%0.534SS*.Hα-helixtrans-70.2-43.1-178.9-61.3176.8-166.5-104.7-0.8112.8D121 P122 D126 E127 E128D121-R124 HydrophobicContact CB-CG 4.1Å; D121-R124 PolarHBondContact O-N 2.96Å; D121-R124 IonicContact OD2-CZ 2.94Å; D121-R124 IonicContact OD2-NE 2.77Å; D121-R124 PolarHBondContact OD2-NE 2.84Å; D121-R124 IonicContact OD2-NH2 3.41Å; D121-R124 PolarHBondContact OD2-NH2 2.87Å; P122-R124 VanDerWaalsContact C-N 3.34Å; R124-D126 VanDerWaalsContact C-N 3.26Å; R124-D126 PolarHBondContact O-N 2.99Å; R124-E127 PolarHBondContact O-N 3.02Å; R124-E127 VanDerWaalsContact O-N 3.16Å; R124-E128 PolarHBondContact O-N 3.11Å
125D54.7Low61Low113 Ų113104.9 Ų104.960%0.60449%0.491SS*.Hα-helixtrans-58.7-39179.4-79.8-5.7000111.4D129D125-D129 PolarHBondContact O-N 2.81Å
126D56.8Low63.2Low67 Ų6794.7 Ų94.736%0.35845%0.453SS..Hα-helixtrans-78.9-23.3179.2-95.5-46.3000113.3K99 R105 R124K99-D126 WeakPolarHBondContact CE-O 3.25Å; K99-D126 PolarHBondContact NZ-O 3.27Å; K99-D126 IonicContact NZ-OD1 2.8Å; R105-D126 IonicContact NH2-OD1 2.79Å; R124-D126 VanDerWaalsContact C-N 3.26Å; R124-D126 PolarHBondContact O-N 2.99Å
127E59.8Low65.5Low133 Ų13389.1 Ų89.162%0.62142%0.416SS*.Hα-helixtrans-75-46.1171.9-79.2-172.9173.600112.7E123 R124 D129 E130 N131E123-E127 PolarHBondContact O-N 2.84Å; R124-E127 PolarHBondContact O-N 3.02Å; R124-E127 VanDerWaalsContact O-N 3.16Å; E127-D129 PolarHBondContact O-N 3.31Å; E127-E130 PolarHBondContact O-N 3.13Å; E127-N131 PolarHBondContact O-ND2 2.78Å; E127-N131 VanDerWaalsContact O-ND2 3.15Å
128E61.8Low67.7Low119 Ų11978.8 Ų78.856%0.55638%0.378SS*.Hα-helixtrans-54.8-39.3175.9-72.9-169.9-175.700110.5R124 E130 N131 M132R124-E128 PolarHBondContact O-N 3.11Å; E128-E130 VanDerWaalsContact C-N 3.32Å; E128-E130 PolarHBondContact O-N 3.38Å; E128-N131 PolarHBondContact O-N 2.75Å; E128-N131 VanDerWaalsContact O-N 3.11Å; E128-M132 HydrophobicContact CB-CE 4.21Å
129D65.1Low69.6Low2 Ų266.7 Ų66.71%0.01133%0.333CS..THydrogen-bonded Turntrans-68-20.8178.5-90.6-56.8000115.9N97 R105 D125 E127 N131 R165N97-D129 PolarHBondContact OD1-O 3.03Å; R105-D129 IonicContact CZ-OD1 3.07Å; R105-D129 IonicContact CZ-OD2 3.32Å; R105-D129 VanDerWaalsContact CZ-OD2 3.29Å; R105-D129 IonicContact NH1-OD1 3.29Å; R105-D129 PolarHBondContact NH1-OD1 3.47Å; R105-D129 IonicContact NH1-OD2 2.68Å; R105-D129 PolarHBondContact NH1-OD2 3.16Å; R105-D129 VanDerWaalsContact NH2-CG 3.25Å; R105-D129 IonicContact NH2-OD1 3.27Å; R105-D129 IonicContact NH2-OD2 2.87Å; R105-D129 PolarHBondContact NH2-OD2 3.41Å; D125-D129 PolarHBondContact O-N 2.81Å; E127-D129 PolarHBondContact O-N 3.31Å; D129-N131 VanDerWaalsContact C-N 3.26Å; D129-R165 WeakPolarHBondContact OD1-CD 3.26Å; D129-R165 IonicContact OD1-CZ 3.9Å; D129-R165 IonicContact OD1-NE 2.75Å; D129-R165 PolarHBondContact OD1-NE 2.89Å; D129-R165 VanDerWaalsContact OD1-NE 3.13Å; D129-R165 IonicContact OD1-NH1 2.78Å; D129-R165 PolarHBondContact OD1-NH1 3.24Å; D129-R165 IonicContact OD1-NH2 3.21Å; D129-R165 PolarHBondContact OD1-NH2 3.08Å; D129-R165 IonicContact OD2-CZ 3.77Å; D129-R165 IonicContact OD2-NE 3.77Å; D129-R165 IonicContact OD2-NH1 3.68Å; D129-R165 PolarHBondContact OD2-NH1 3.16Å; D129-R165 IonicContact OD2-NH2 3.3Å; D129-R165 PolarHBondContact OD2-NH2 3.03Å
130E67.7Low71.8Confident102 Ų10263.1 Ų63.148%0.47731%0.307SS..THydrogen-bonded Turntrans-77.7-16.4172.3-64.3-167.1175.300112.4K93 N97 K99 E127 E128K93-E130 WeakPolarHBondContact CE-O 3.43Å; N97-E130 PolarHBondContact ND2-O 3.17Å; K99-E130 HydrophobicContact CD-CG 3.94Å; K99-E130 IonicContact NZ-OE1 2.71Å; K99-E130 PolarHBondContact NZ-OE1 2.91Å; E127-E130 PolarHBondContact O-N 3.13Å; E128-E130 VanDerWaalsContact C-N 3.32Å; E128-E130 PolarHBondContact O-N 3.38Å
131N76.8Confident73.8Confident71 Ų7158.4 Ų58.438%0.3829%0.285SS..SBendtrans-90.2-11.3-179.6-64.1-51.4000113.7K93 E127 E128 D129K93-N131 WeakPolarHBondContact CE-OD1 3.15Å; K93-N131 PolarHBondContact NZ-OD1 3.41Å; E127-N131 PolarHBondContact O-ND2 2.78Å; E127-N131 VanDerWaalsContact O-ND2 3.15Å; E128-N131 PolarHBondContact O-N 2.75Å; E128-N131 VanDerWaalsContact O-N 3.11Å; D129-N131 VanDerWaalsContact C-N 3.26Å
132M83.5Confident75.8Confident12 Ų1256.6 Ų56.66%0.05928%0.279CS..  trans-88.5138.8-175.8-57.2-168-162.100113.6A98 E128 R165 V185 A186A98-M132 HydrophobicContact CB-CB 3.95Å; A98-M132 PolarHBondContact N-O 3.12Å; E128-M132 HydrophobicContact CB-CE 4.21Å; M132-R165 HydrophobicContact SD-CB 3.64Å; M132-R165 VanDerWaalsContact SD-CD 3.52Å; M132-R165 HydrophobicContact SD-CG 4.11Å; M132-V185 HydrophobicContact CB-CG1 4.17Å; M132-A186 CarbonylContact C-O 3.51Å; M132-A186 VanDerWaalsContact CA-O 3.28Å; M132-A186 WeakPolarHBondContact CA-O 3.48Å
133I86.8Confident77.5Confident2 Ų253.3 Ų53.31%0.0126%0.256CS..EExtended strand (participates in β ladder)trans-113.5130.3-178.3-51.9179.3000109.4C89 M96 F135 V185 A186 P188C89-I133 HydrophobicContact CB-CD1 3.68Å; C89-I133 WeakPolarHBondContact O-CD1 3.37Å; M96-I133 HydrophobicContact CB-CG2 3.96Å; M96-I133 HydrophobicContact CE-CG2 3.8Å; I133-F135 HydrophobicContact CB-CD2 4.27Å; I133-F135 HydrophobicContact CB-CE2 4.01Å; I133-F135 HydrophobicContact CD1-CE2 4.48Å; I133-F135 HydrophobicContact CG2-CD2 3.74Å; I133-F135 HydrophobicContact CG2-CE2 3.42Å; I133-F135 VanDerWaalsContact CG2-CE2 3.42Å; I133-F135 HydrophobicContact CG2-CZ 4Å; I133-V185 WeakPolarHBondContact O-CA 3.37Å; I133-A186 PolarHBondContact N-O 2.87Å; I133-P188 HydrophobicContact CD1-CB 4.05Å
134D89Confident79.4Confident0 Ų046 Ų460%022%0.222CC..EExtended strand (participates in β ladder)trans-86.4109.5169.5-178.5-3000110.4M96 S101 R136 Q183 M184 V185 W230M96-D134 PolarHBondContact O-N 3.17Å; S101-D134 WeakPolarHBondContact CB-OD2 3.36Å; S101-D134 WeakPolarHBondContact OG-CB 3.48Å; S101-D134 PolarHBondContact OG-OD2 3.2Å; D134-R136 VanDerWaalsContact OD1-CG 3.27Å; D134-R136 WeakPolarHBondContact OD1-CG 3.29Å; D134-R136 IonicContact OD1-NE 3.44Å; D134-R136 PolarHBondContact OD1-NE 2.98Å; D134-R136 IonicContact OD2-CZ 3.5Å; D134-R136 VanDerWaalsContact OD2-CZ 3.3Å; D134-R136 IonicContact OD2-NE 3.71Å; D134-R136 PolarHBondContact OD2-NE 3.33Å; D134-R136 IonicContact OD2-NH2 3.29Å; D134-R136 PolarHBondContact OD2-NH2 3.08Å; D134-Q183 WeakPolarHBondContact OD1-CG 3.44Å; D134-Q183 PolarHBondContact OD2-NE2 3.29Å; D134-M184 WeakPolarHBondContact CA-O 3.43Å; D134-V185 HydrophobicContact CB-CG2 3.85Å; D134-W230 HydrophobicContact CB-CH2 4.09Å
135F89.9Confident81.3Confident3 Ų340.7 Ų40.71%0.01322%0.216CC..EExtended strand (participates in β ladder)trans-102.7133.1167.1-78.6-78.7000111.2M85 C89 M96 I133 M184 V191M85-F135 HydrophobicContact CE-CD1 3.32Å; M85-F135 HydrophobicContact CE-CE1 3.13Å; M85-F135 HydrophobicContact CE-CE2 4.45Å; M85-F135 HydrophobicContact CE-CG 4.06Å; M85-F135 HydrophobicContact CE-CZ 3.75Å; M85-F135 HydrophobicContact SD-CE1 4.2Å; C89-F135 WeakPolarHBondContact SG-CE2 3Å; M96-F135 HydrophobicContact CE-CD1 3.77Å; M96-F135 HydrophobicContact CE-CE1 3.35Å; M96-F135 HydrophobicContact CE-CE2 4.33Å; M96-F135 HydrophobicContact CE-CG 4.43Å; M96-F135 HydrophobicContact CE-CZ 3.69Å; I133-F135 HydrophobicContact CB-CD2 4.27Å; I133-F135 HydrophobicContact CB-CE2 4.01Å; I133-F135 HydrophobicContact CD1-CE2 4.48Å; I133-F135 HydrophobicContact CG2-CD2 3.74Å; I133-F135 HydrophobicContact CG2-CE2 3.42Å; I133-F135 VanDerWaalsContact CG2-CE2 3.42Å; I133-F135 HydrophobicContact CG2-CZ 4Å; F135-M184 HydrophobicContact CB-CE 4.5Å; F135-M184 PolarHBondContact N-O 3.15Å; F135-M184 PolarHBondContact O-N 2.97Å; F135-V191 HydrophobicContact CB-CG1 4.09Å; F135-V191 HydrophobicContact CD2-CB 4.31Å; F135-V191 HydrophobicContact CD2-CG1 3.69Å; F135-V191 HydrophobicContact CG-CG1 4.27Å
136R91.1Very high83Confident11 Ų1136.8 Ų36.84%0.04220%0.197CC..EExtended strand (participates in β ladder)trans-119128.4177.8-56.1-170.6-173.4-1793.7109.9F31 L32 S101 D134 V181 V182 Q183 G228 G229 W230F31-R136 CarbonylContact C-O 3.59Å; F31-R136 WeakPolarHBondContact CA-O 3.32Å; L32-R136 HydrophobicContact CB-CB 4.2Å; L32-R136 PolarHBondContact N-O 2.97Å; S101-R136 PolarHBondContact O-NH2 2.87Å; S101-R136 VanDerWaalsContact O-NH2 3.13Å; D134-R136 VanDerWaalsContact OD1-CG 3.27Å; D134-R136 WeakPolarHBondContact OD1-CG 3.29Å; D134-R136 IonicContact OD1-NE 3.44Å; D134-R136 PolarHBondContact OD1-NE 2.98Å; D134-R136 IonicContact OD2-CZ 3.5Å; D134-R136 VanDerWaalsContact OD2-CZ 3.3Å; D134-R136 IonicContact OD2-NE 3.71Å; D134-R136 PolarHBondContact OD2-NE 3.33Å; D134-R136 IonicContact OD2-NH2 3.29Å; D134-R136 PolarHBondContact OD2-NH2 3.08Å; R136-V181 HydrophobicContact CB-CG1 3.77Å; R136-V181 HydrophobicContact CG-CG1 4.28Å; R136-V182 WeakPolarHBondContact CA-O 3.16Å; R136-Q183 HydrophobicContact CG-CB 4.48Å; R136-Q183 HydrophobicContact CG-CG 4.22Å; R136-G228 VanDerWaalsContact CD-O 3.26Å; R136-G228 WeakPolarHBondContact CD-O 3.31Å; R136-G228 PolarHBondContact NH1-O 3.21Å; R136-G229 PolarHBondContact NH1-O 3.04Å; R136-W230 HydrophobicContact CG-CZ2 4.03Å
137I93.5Very high84.7Confident4 Ų433.6 Ų33.62%0.02118%0.18CC..EExtended strand (participates in β ladder)trans-116.3148.6173.959.5169.2000110.8I29 R30 F31 V139 V181 V182 M184 L195 V198I29-I137 HydrophobicContact CG2-CG2 4.18Å; R30-I137 WeakPolarHBondContact O-CA 3.44Å; F31-I137 HydrophobicContact CD1-CG2 3.41Å; F31-I137 VanDerWaalsContact CD1-CG2 3.41Å; F31-I137 HydrophobicContact CE1-CG2 3.5Å; F31-I137 VanDerWaalsContact CE1-CG2 3.5Å; F31-I137 HydrophobicContact CG-CG2 4.21Å; F31-I137 HydrophobicContact CZ-CG2 4.38Å; I137-V139 HydrophobicContact CD1-CG2 3.62Å; I137-V139 HydrophobicContact CG1-CG2 3.89Å; I137-V181 CarbonylContact O-C 3.12Å; I137-V181 WeakPolarHBondContact O-CA 3.39Å; I137-V182 HydrophobicContact CD1-CB 4.33Å; I137-V182 HydrophobicContact CG1-CB 3.77Å; I137-V182 HydrophobicContact CG1-CG2 4.3Å; I137-V182 PolarHBondContact N-O 2.92Å; I137-V182 PolarHBondContact O-N 3.47Å; I137-M184 HydrophobicContact CD1-CE 4.27Å; I137-M184 HydrophobicContact CG1-CE 4.21Å; I137-M184 HydrophobicContact CG2-CE 4.22Å; I137-L195 HydrophobicContact CG2-CD1 4.14Å; I137-V198 HydrophobicContact CD1-CG1 3.56Å
138L92.9Very high86.3Confident9 Ų930 Ų305%0.04717%0.165CC..EExtended strand (participates in β ladder)trans-94.1123172.4-68.2159000108.3R30 L32 I71 D179 V181 Y214R30-L138 HydrophobicContact CB-CB 4.13Å; R30-L138 HydrophobicContact CB-CD1 4.29Å; R30-L138 PolarHBondContact O-N 2.63Å; L32-L138 HydrophobicContact CB-CD1 4.33Å; L32-L138 HydrophobicContact CB-CG 4.21Å; L32-L138 HydrophobicContact CD1-CD1 4.47Å; L32-L138 HydrophobicContact CD2-CD2 4.48Å; I71-L138 HydrophobicContact CD1-CD1 3.77Å; I71-L138 HydrophobicContact CG1-CD1 3.82Å; I71-L138 HydrophobicContact CG2-CD1 4.07Å; L138-D179 HydrophobicContact CB-CB 4.31Å; L138-D179 HydrophobicContact CD2-CB 4Å; L138-V181 HydrophobicContact CD2-CG2 4.01Å; L138-Y214 HydrophobicContact CD1-CD1 4Å; L138-Y214 HydrophobicContact CD2-CD1 3.86Å; L138-Y214 HydrophobicContact CD2-CG 4.37Å
139V92.2Very high87.7Confident4 Ų425.4 Ų25.42%0.02415%0.149CC..EExtended strand (participates in β ladder)trans-131.8127.1-177.5176.70000107.9I137 Q143 A144 R180 V182 V202I137-V139 HydrophobicContact CD1-CG2 3.62Å; I137-V139 HydrophobicContact CG1-CG2 3.89Å; V139-Q143 HydrophobicContact CG1-CB 3.61Å; V139-A144 HydrophobicContact CG1-CB 4.43Å; V139-R180 PolarHBondContact N-O 3.43Å; V139-R180 PolarHBondContact O-N 3.23Å; V139-V182 HydrophobicContact CB-CG2 4.22Å; V139-V182 HydrophobicContact CG2-CG2 3.93Å; V139-V202 HydrophobicContact CG1-CG2 3.86Å; V139-V202 HydrophobicContact CG2-CG2 4.09Å
140H91.8Very high88.9Confident4 Ų435.4 Ų35.42%0.01919%0.187CC..EExtended strand (participates in β ladder)trans-54.8141.7178.8-175.8-98.9000110.8S142 Q143 A144 T178 D179 P207 R208 R210H140-S142 PolarHBondContact ND1-N 3.19Å; H140-S142 PolarHBondContact ND1-OG 3.38Å; H140-S142 PolarHBondContact O-N 3.43Å; H140-S142 VanDerWaalsContact O-N 3.08Å; H140-Q143 HydrophobicContact CB-CG 4.08Å; H140-Q143 WeakPolarHBondContact O-CA 3.43Å; H140-Q143 WeakPolarHBondContact O-CB 3.13Å; H140-Q143 PolarHBondContact O-N 2.98Å; H140-A144 PolarHBondContact O-N 3.31Å; H140-A144 VanDerWaalsContact O-N 3.11Å; H140-T178 PolarHBondContact CD2-OG1 2.71Å; H140-T178 VanDerWaalsContact CD2-OG1 3.31Å; H140-D179 PolarHBondContact N-OD1 3.44Å; H140-P207 HydrophobicContact CB-CB 4.27Å; H140-R208 PolarHBondContact CE1-O 2.86Å; H140-R210 PolarHBondContact NE2-O 3.42Å
141E90Very high90Very high84 Ų8435.1 Ų35.139%0.39321%0.211SC..Hα-helixtrans-58.3-33.9-169.561.1159.2-173.900114.9Q143 A144 L173 T178 R180E141-Q143 PolarHBondContact O-N 3.27Å; E141-A144 PolarHBondContact O-N 3.37Å; E141-L173 HydrophobicContact CB-CD2 3.9Å; E141-L173 HydrophobicContact CG-CD2 4.36Å; E141-T178 PolarHBondContact N-O 2.79Å; E141-R180 HydrophobicContact CB-CG 4.14Å; E141-R180 IonicContact OE2-CZ 2.69Å; E141-R180 IonicContact OE2-NE 3.79Å; E141-R180 IonicContact OE2-NH2 3.34Å; E141-R180 PolarHBondContact OE2-NH2 3.43Å
142S90Very high90.7Very high44 Ų4432.7 Ų32.731%0.30820%0.203SC..Hα-helixtrans-65.9-24.2175.475.60000113.5H140 P207 R208H140-S142 PolarHBondContact ND1-N 3.19Å; H140-S142 PolarHBondContact ND1-OG 3.38Å; H140-S142 PolarHBondContact O-N 3.43Å; H140-S142 VanDerWaalsContact O-N 3.08Å; S142-P207 WeakPolarHBondContact OG-CA 3.48Å; S142-R208 PolarHBondContact OG-N 2.89Å
143Q90.8Very high91.2Very high23 Ų2337.5 Ų37.511%0.10723%0.225CC..Hα-helixtrans-91-28.3-179.2-55-173.7-7500111.4V139 H140 E141 G145 S146 V147 V202 A205 P207V139-Q143 HydrophobicContact CG1-CB 3.61Å; H140-Q143 HydrophobicContact CB-CG 4.08Å; H140-Q143 WeakPolarHBondContact O-CA 3.43Å; H140-Q143 WeakPolarHBondContact O-CB 3.13Å; H140-Q143 PolarHBondContact O-N 2.98Å; E141-Q143 PolarHBondContact O-N 3.27Å; Q143-G145 PolarHBondContact O-N 3.19Å; Q143-S146 WeakPolarHBondContact O-CA 3.35Å; Q143-S146 WeakPolarHBondContact O-CB 3.47Å; Q143-S146 PolarHBondContact O-N 2.79Å; Q143-V147 PolarHBondContact O-N 3.37Å; Q143-V202 HydrophobicContact CB-CG1 4.49Å; Q143-V202 PolarHBondContact NE2-O 3.23Å; Q143-A205 VanDerWaalsContact CG-O 3.29Å; Q143-A205 WeakPolarHBondContact CG-O 3.4Å; Q143-A205 PolarHBondContact NE2-O 3.33Å; Q143-P207 HydrophobicContact CG-CB 4.34Å
144A91.2Very high91.5Very high2 Ų242 Ų422%0.01724%0.242CC..Hα-helixtrans-56.2-34.4176.100000112.5V139 H140 E141 S146 V147 I148 V169 R180V139-A144 HydrophobicContact CG1-CB 4.43Å; H140-A144 PolarHBondContact O-N 3.31Å; H140-A144 VanDerWaalsContact O-N 3.11Å; E141-A144 PolarHBondContact O-N 3.37Å; A144-S146 VanDerWaalsContact C-N 3.27Å; A144-S146 PolarHBondContact O-N 3.4Å; A144-V147 PolarHBondContact O-N 3.29Å; A144-I148 WeakPolarHBondContact O-CG1 3.45Å; A144-I148 PolarHBondContact O-N 3.28Å; A144-V169 HydrophobicContact CB-CG1 4.1Å; A144-R180 HydrophobicContact CB-CB 4.46Å
145G91.4Very high91.7Very high46 Ų4643.4 Ų43.447%0.47425%0.249SC..Hα-helixtrans-62.3-28.4172.400000114.6Q143 G149Q143-G145 PolarHBondContact O-N 3.19Å; G145-G149 PolarHBondContact O-N 3.29Å
146S90.8Very high91.8Very high30 Ų3049 Ų4921%0.2127%0.274CS..Hα-helixtrans-69.9-39.7173.5-167.20000111.6Q143 A144 A201Q143-S146 WeakPolarHBondContact O-CA 3.35Å; Q143-S146 WeakPolarHBondContact O-CB 3.47Å; Q143-S146 PolarHBondContact O-N 2.79Å; A144-S146 VanDerWaalsContact C-N 3.27Å; A144-S146 PolarHBondContact O-N 3.4Å; S146-A201 WeakPolarHBondContact CB-O 3.27Å; S146-A201 PolarHBondContact OG-O 3.39Å
147V92.3Very high91.9Very high0 Ų052.7 Ų52.70%029%0.294CS..Hα-helixtrans-67.8-41.1177.3-175.70000111.3Q143 A144 L158 V198 V202Q143-V147 PolarHBondContact O-N 3.37Å; A144-V147 PolarHBondContact O-N 3.29Å; V147-L158 HydrophobicContact CG1-CD1 4.45Å; V147-V198 HydrophobicContact CG1-CG1 3.93Å; V147-V198 HydrophobicContact CG1-CG2 4.18Å; V147-V198 HydrophobicContact CG2-CG1 3.99Å; V147-V202 HydrophobicContact CG2-CG2 3.75Å
148I93Very high91.9Very high58 Ų5852.8 Ų52.830%0.29730%0.295SS..Hα-helixtrans-68.2-42.5176.4-64170.2000111.2A144 G152 R154 I155 V169A144-I148 WeakPolarHBondContact O-CG1 3.45Å; A144-I148 PolarHBondContact O-N 3.28Å; I148-G152 CarbonylContact O-C 3.59Å; I148-G152 WeakPolarHBondContact O-CA 3.17Å; I148-R154 PolarHBondContact O-N 2.54Å; I148-I155 HydrophobicContact CB-CG2 4.47Å; I148-I155 HydrophobicContact CG2-CG2 4.11Å; I148-I155 PolarHBondContact O-N 2.94Å; I148-I155 VanDerWaalsContact O-N 3.08Å; I148-V169 HydrophobicContact CD1-CB 4.1Å; I148-V169 HydrophobicContact CD1-CG1 4.15Å; I148-V169 HydrophobicContact CD1-CG2 4.16Å; I148-V169 HydrophobicContact CG1-CB 4.28Å; I148-V169 HydrophobicContact CG1-CG2 3.8Å
149G90.9Very high91.8Very high22 Ų2257.9 Ų57.923%0.22731%0.313CS..  trans74.4173.5-171.800000113G145 G151 G152G145-G149 PolarHBondContact O-N 3.29Å; G149-G151 PolarHBondContact O-N 3.33Å; G149-G152 PolarHBondContact O-N 3.24Å
150R92Very high91.8Very high213 Ų21362.1 Ų62.180%0.80434%0.336SS*.G310 helixtrans-64.9126.2-179.9-63.9179.1-61.5-174.62.2109.3G152 E153R150-G152 PolarHBondContact O-N 3.34Å; R150-G152 VanDerWaalsContact O-N 3.09Å; R150-E153 VanDerWaalsContact O-CB 3.27Å; R150-E153 WeakPolarHBondContact O-CB 3.38Å; R150-E153 PolarHBondContact O-N 2.63Å; R150-E153 VanDerWaalsContact O-N 3.16Å
151G91Very high91.9Very high95 Ų9568.9 Ų68.998%0.97937%0.365SS*.G310 helixtrans63.311.4-179.600000115.9G149G149-G151 PolarHBondContact O-N 3.33Å
152G90.9Very high92Very high21 Ų2166 Ų6622%0.21635%0.351CS..G310 helixtrans81.210.4-174.200000115.1I148 G149 R150 I155 K156I148-G152 CarbonylContact O-C 3.59Å; I148-G152 WeakPolarHBondContact O-CA 3.17Å; G149-G152 PolarHBondContact O-N 3.24Å; R150-G152 PolarHBondContact O-N 3.34Å; R150-G152 VanDerWaalsContact O-N 3.09Å; G152-I155 VanDerWaalsContact O-CG2 3.27Å; G152-I155 WeakPolarHBondContact O-CG2 3.4Å; G152-K156 WeakPolarHBondContact O-CB 3.48Å; G152-K156 PolarHBondContact O-N 2.93Å; G152-K156 VanDerWaalsContact O-N 3.13Å
153E93.3Very high91.9Very high113 Ų11371.9 Ų71.953%0.52837%0.371SS..Hα-helixtrans-53.6-54.6177.7-177.7175.2-130.400111.7R150 I155 K156 D157R150-E153 VanDerWaalsContact O-CB 3.27Å; R150-E153 WeakPolarHBondContact O-CB 3.38Å; R150-E153 PolarHBondContact O-N 2.63Å; R150-E153 VanDerWaalsContact O-N 3.16Å; E153-I155 PolarHBondContact O-N 3.48Å; E153-K156 WeakPolarHBondContact O-CB 3.35Å; E153-K156 PolarHBondContact O-N 2.86Å; E153-K156 VanDerWaalsContact O-N 3.17Å; E153-D157 VanDerWaalsContact O-CG 3.29Å; E153-D157 PolarHBondContact O-N 2.94Å
154R93.2Very high91.7Very high96 Ų9671 Ų7136%0.36237%0.367SS..Hα-helixtrans-68.9-38.5-173.3-170.2172.6176.787.1-2.5113.4I148 K156 D157 L158 A197I148-R154 PolarHBondContact O-N 2.54Å; R154-K156 VanDerWaalsContact C-N 3.31Å; R154-K156 PolarHBondContact O-N 2.86Å; R154-D157 PolarHBondContact O-N 2.81Å; R154-L158 WeakPolarHBondContact O-CB 3.19Å; R154-L158 VanDerWaalsContact O-CG 3.27Å; R154-L158 WeakPolarHBondContact O-CG 3.26Å; R154-L158 PolarHBondContact O-N 3.41Å; R154-A197 PolarHBondContact NH2-O 2.8Å
155I93.1Very high91.3Very high29 Ų2975.5 Ų75.515%0.14938%0.384CS..Hα-helixtrans-67.8-31.8174.4-174.8170.1000112.1I148 G152 E153 R159 I167 V169I148-I155 HydrophobicContact CB-CG2 4.47Å; I148-I155 HydrophobicContact CG2-CG2 4.11Å; I148-I155 PolarHBondContact O-N 2.94Å; I148-I155 VanDerWaalsContact O-N 3.08Å; G152-I155 VanDerWaalsContact O-CG2 3.27Å; G152-I155 WeakPolarHBondContact O-CG2 3.4Å; E153-I155 PolarHBondContact O-N 3.48Å; I155-R159 PolarHBondContact O-N 2.95Å; I155-R159 VanDerWaalsContact O-N 3.1Å; I155-I167 HydrophobicContact CD1-CG1 4.12Å; I155-I167 HydrophobicContact CD1-CG2 4.32Å; I155-I167 HydrophobicContact CG1-CD1 4.12Å; I155-I167 HydrophobicContact CG1-CG1 4.03Å; I155-I167 HydrophobicContact CG1-CG2 3.8Å; I155-V169 HydrophobicContact CD1-CG2 4.06Å
156K92.1Very high91.1Very high121 Ų12175 Ų7553%0.52637%0.371SS..Hα-helixtrans-67.2-46.2170.9-173.4-177.1173.7-66.90110.9G152 E153 R154 L158 R159 D160G152-K156 WeakPolarHBondContact O-CB 3.48Å; G152-K156 PolarHBondContact O-N 2.93Å; G152-K156 VanDerWaalsContact O-N 3.13Å; E153-K156 WeakPolarHBondContact O-CB 3.35Å; E153-K156 PolarHBondContact O-N 2.86Å; E153-K156 VanDerWaalsContact O-N 3.17Å; R154-K156 VanDerWaalsContact C-N 3.31Å; R154-K156 PolarHBondContact O-N 2.86Å; K156-L158 VanDerWaalsContact C-N 3.33Å; K156-L158 PolarHBondContact O-N 2.83Å; K156-R159 WeakPolarHBondContact O-CA 3.42Å; K156-R159 VanDerWaalsContact O-CB 3.31Å; K156-R159 WeakPolarHBondContact O-CB 3.33Å; K156-R159 PolarHBondContact O-N 2.91Å; K156-D160 IonicContact NZ-OD2 2.75Å; K156-D160 PolarHBondContact NZ-OD2 3.49Å; K156-D160 PolarHBondContact O-N 3.45Å
157D94Very high91.1Very high88 Ų8874.4 Ų74.447%0.47137%0.366SS..Hα-helixtrans-59.3-43.3176.6-64.7-21.6000111.9E153 R154 R159 D160 K161E153-D157 VanDerWaalsContact O-CG 3.29Å; E153-D157 PolarHBondContact O-N 2.94Å; R154-D157 PolarHBondContact O-N 2.81Å; D157-R159 VanDerWaalsContact C-N 3.27Å; D157-R159 PolarHBondContact O-N 3.14Å; D157-D160 PolarHBondContact O-N 2.94Å; D157-K161 WeakPolarHBondContact O-CB 3.39Å; D157-K161 PolarHBondContact O-N 3.09Å
158L93.5Very high90.9Very high7 Ų778.5 Ų78.54%0.03738%0.383CS..Hα-helixtrans-59.8-38174.1-72.4173.9000111.8V147 R154 K156 Y162 I167 A197 V198V147-L158 HydrophobicContact CG1-CD1 4.45Å; R154-L158 WeakPolarHBondContact O-CB 3.19Å; R154-L158 VanDerWaalsContact O-CG 3.27Å; R154-L158 WeakPolarHBondContact O-CG 3.26Å; R154-L158 PolarHBondContact O-N 3.41Å; K156-L158 VanDerWaalsContact C-N 3.33Å; K156-L158 PolarHBondContact O-N 2.83Å; L158-Y162 HydrophobicContact CD2-CD2 4.1Å; L158-Y162 HydrophobicContact CD2-CE2 3.76Å; L158-Y162 WeakPolarHBondContact O-CD2 3.09Å; L158-Y162 PolarHBondContact O-N 3.29Å; L158-I167 HydrophobicContact CB-CD1 4.16Å; L158-I167 HydrophobicContact CD1-CD1 4.32Å; L158-A197 HydrophobicContact CD2-CB 3.63Å; L158-V198 HydrophobicContact CD1-CG2 3.69Å
159R90.7Very high90.9Very high115 Ų11576.8 Ų76.843%0.43438%0.376SS..Hα-helixtrans-66.8-51.4176.9-161.2-174.7-164171.63.9112I155 K156 D157 K163 M164 R165 I167I155-R159 PolarHBondContact O-N 2.95Å; I155-R159 VanDerWaalsContact O-N 3.1Å; K156-R159 WeakPolarHBondContact O-CA 3.42Å; K156-R159 VanDerWaalsContact O-CB 3.31Å; K156-R159 WeakPolarHBondContact O-CB 3.33Å; K156-R159 PolarHBondContact O-N 2.91Å; D157-R159 VanDerWaalsContact C-N 3.27Å; D157-R159 PolarHBondContact O-N 3.14Å; R159-K163 CarbonylContact O-C 3.45Å; R159-K163 VanDerWaalsContact O-CA 3.23Å; R159-K163 WeakPolarHBondContact O-CA 3.08Å; R159-K163 PolarHBondContact O-N 2.77Å; R159-M164 HydrophobicContact CG-CB 4.03Å; R159-M164 WeakPolarHBondContact CG-O 3.18Å; R159-M164 PolarHBondContact NE-O 2.82Å; R159-M164 PolarHBondContact O-N 2.77Å; R159-R165 PolarHBondContact NH2-O 2.85Å; R159-I167 HydrophobicContact CB-CG2 3.83Å; R159-I167 HydrophobicContact CG-CG2 3.94Å
160D92.6Very high90.9Very high94 Ų9476 Ų7650%0.50337%0.366SS..Hα-helixtrans-71.8-39.9-173.6-64.9-11.3000111K156 D157K156-D160 IonicContact NZ-OD2 2.75Å; K156-D160 PolarHBondContact NZ-OD2 3.49Å; K156-D160 PolarHBondContact O-N 3.45Å; D157-D160 PolarHBondContact O-N 2.94Å
161K93Very high90.7Very high145 Ų14574.1 Ų74.163%0.6337%0.366SS*.Hα-helixtrans-69.3-41.5-179.1-176.1-175.5178.3-165.80113.6D157D157-K161 WeakPolarHBondContact O-CB 3.39Å; D157-K161 PolarHBondContact O-N 3.09Å
162Y91.4Very high90.5Very high25 Ų2573.3 Ų73.310%0.09834%0.338CS..THydrogen-bonded Turntrans-10612.4-177.4-56.6-67.4000113.1L158 M164 N190 Q193 C194 A197L158-Y162 HydrophobicContact CD2-CD2 4.1Å; L158-Y162 HydrophobicContact CD2-CE2 3.76Å; L158-Y162 WeakPolarHBondContact O-CD2 3.09Å; L158-Y162 PolarHBondContact O-N 3.29Å; Y162-M164 VanDerWaalsContact C-N 3.27Å; Y162-M164 WeakPolarHBondContact O-CE 3.28Å; Y162-M164 PolarHBondContact O-N 2.96Å; Y162-N190 WeakPolarHBondContact O-CB 3.26Å; Y162-Q193 HydrophobicContact CD1-CB 3.6Å; Y162-Q193 HydrophobicContact CE1-CB 3.57Å; Y162-Q193 HydrophobicContact CG-CB 4.5Å; Y162-C194 HydrophobicContact CD2-CB 3.82Å; Y162-C194 HydrophobicContact CG-CB 4.02Å; Y162-A197 HydrophobicContact CE2-CB 3.86Å
163K88.2Confident90.3Very high166 Ų16675.1 Ų75.172%0.72234%0.342SS*.THydrogen-bonded Turntrans50.341-179.3-58.4-175.8178.8-176.90113.8R159 R165R159-K163 CarbonylContact O-C 3.45Å; R159-K163 VanDerWaalsContact O-CA 3.23Å; R159-K163 WeakPolarHBondContact O-CA 3.08Å; R159-K163 PolarHBondContact O-N 2.77Å; K163-R165 PolarHBondContact O-N 2.88Å
164M87Confident89.9Confident4 Ų469.9 Ų69.92%0.0232%0.318CS..  trans-66.6116.5-179-59.8-77.999.700111.2R159 Y162 V166 I167 A186 N190 V191 C194R159-M164 HydrophobicContact CG-CB 4.03Å; R159-M164 WeakPolarHBondContact CG-O 3.18Å; R159-M164 PolarHBondContact NE-O 2.82Å; R159-M164 PolarHBondContact O-N 2.77Å; Y162-M164 VanDerWaalsContact C-N 3.27Å; Y162-M164 WeakPolarHBondContact O-CE 3.28Å; Y162-M164 PolarHBondContact O-N 2.96Å; M164-V166 VanDerWaalsContact C-N 3.35Å; M164-V166 PolarHBondContact O-N 3.35Å; M164-I167 HydrophobicContact CB-CB 4.25Å; M164-I167 HydrophobicContact CB-CG2 4.38Å; M164-A186 HydrophobicContact CE-CB 3.29Å; M164-A186 HydrophobicContact SD-CB 4Å; M164-N190 VanDerWaalsContact CE-C 3.41Å; M164-N190 HydrophobicContact CE-CB 3.77Å; M164-N190 WeakPolarHBondContact CE-O 3.49Å; M164-V191 HydrophobicContact CE-CG2 4.21Å; M164-V191 HydrophobicContact SD-CG2 4.41Å; M164-C194 HydrophobicContact CE-CB 3.75Å; M164-C194 HydrophobicContact CG-CB 4.25Å; M164-C194 HydrophobicContact SD-CB 3.55Å; M164-C194 VanDerWaalsContact SD-CB 3.55Å; M164-C194 VanDerWaalsContact SD-SG 3.63Å
165R83.9Confident89.3Confident98 Ų9866.8 Ų66.837%0.3731%0.31SS..SBendtrans-57.8-49.6174.7-173.6-168.6-179.398.9-9.9110.5D129 M132 R159 K163 V185D129-R165 WeakPolarHBondContact OD1-CD 3.26Å; D129-R165 IonicContact OD1-CZ 3.9Å; D129-R165 IonicContact OD1-NE 2.75Å; D129-R165 PolarHBondContact OD1-NE 2.89Å; D129-R165 VanDerWaalsContact OD1-NE 3.13Å; D129-R165 IonicContact OD1-NH1 2.78Å; D129-R165 PolarHBondContact OD1-NH1 3.24Å; D129-R165 IonicContact OD1-NH2 3.21Å; D129-R165 PolarHBondContact OD1-NH2 3.08Å; D129-R165 IonicContact OD2-CZ 3.77Å; D129-R165 IonicContact OD2-NE 3.77Å; D129-R165 IonicContact OD2-NH1 3.68Å; D129-R165 PolarHBondContact OD2-NH1 3.16Å; D129-R165 IonicContact OD2-NH2 3.3Å; D129-R165 PolarHBondContact OD2-NH2 3.03Å; M132-R165 HydrophobicContact SD-CB 3.64Å; M132-R165 VanDerWaalsContact SD-CD 3.52Å; M132-R165 HydrophobicContact SD-CG 4.11Å; R159-R165 PolarHBondContact NH2-O 2.85Å; K163-R165 PolarHBondContact O-N 2.88Å; R165-V185 WeakPolarHBondContact CB-O 3.13Å; R165-V185 PolarHBondContact N-O 3.35Å
166V86Confident88.9Confident36 Ų3672.1 Ų72.122%0.21834%0.338CS..EExtended strand (participates in β ladder)trans-130.4128.3172.6-171.20000109M164 K168 V185M164-V166 VanDerWaalsContact C-N 3.35Å; M164-V166 PolarHBondContact O-N 3.35Å; V166-K168 HydrophobicContact CG1-CB 4.3Å; V166-V185 HydrophobicContact CB-CB 3.92Å; V166-V185 HydrophobicContact CB-CG2 3.9Å; V166-V185 HydrophobicContact CG2-CB 4.31Å; V166-V185 HydrophobicContact CG2-CG2 4.42Å; V166-V185 PolarHBondContact N-O 2.96Å; V166-V185 VanDerWaalsContact N-O 3.11Å; V166-V185 PolarHBondContact O-N 2.9Å
167I90.1Very high88.7Confident17 Ų1766.9 Ų66.99%0.08732%0.317CS..EExtended strand (participates in β ladder)trans-130.6122160.4-173167000107.3I155 L158 R159 M164 Q183 M184I155-I167 HydrophobicContact CD1-CG1 4.12Å; I155-I167 HydrophobicContact CD1-CG2 4.32Å; I155-I167 HydrophobicContact CG1-CD1 4.12Å; I155-I167 HydrophobicContact CG1-CG1 4.03Å; I155-I167 HydrophobicContact CG1-CG2 3.8Å; L158-I167 HydrophobicContact CB-CD1 4.16Å; L158-I167 HydrophobicContact CD1-CD1 4.32Å; R159-I167 HydrophobicContact CB-CG2 3.83Å; R159-I167 HydrophobicContact CG-CG2 3.94Å; M164-I167 HydrophobicContact CB-CB 4.25Å; M164-I167 HydrophobicContact CB-CG2 4.38Å; I167-Q183 WeakPolarHBondContact CA-O 3.46Å; I167-M184 HydrophobicContact CD1-CG 4.27Å; I167-M184 HydrophobicContact CG1-CG 4.2Å
168K89.6Confident88.4Confident85 Ų8563.5 Ų63.537%0.3730%0.3SS..EExtended strand (participates in β ladder)trans-142.9121.9-171.8-176-171.4177.5-168.20110.3V166 Y170 V182 Q183V166-K168 HydrophobicContact CG1-CB 4.3Å; K168-Y170 HydrophobicContact CD-CE1 4.15Å; K168-Y170 HydrophobicContact CD-CE2 4.12Å; K168-V182 WeakPolarHBondContact O-CA 3.48Å; K168-Q183 HydrophobicContact CB-CB 4.36Å; K168-Q183 PolarHBondContact N-O 2.96Å; K168-Q183 PolarHBondContact O-N 2.75Å
169V92.4Very high88.4Confident23 Ų2363.1 Ų63.114%0.13930%0.298CS..EExtended strand (participates in β ladder)trans-90.8128.6164.5-176.50000107.7A144 I148 I155 V182A144-V169 HydrophobicContact CB-CG1 4.1Å; I148-V169 HydrophobicContact CD1-CB 4.1Å; I148-V169 HydrophobicContact CD1-CG1 4.15Å; I148-V169 HydrophobicContact CD1-CG2 4.16Å; I148-V169 HydrophobicContact CG1-CB 4.28Å; I148-V169 HydrophobicContact CG1-CG2 3.8Å; I155-V169 HydrophobicContact CD1-CG2 4.06Å; V169-V182 HydrophobicContact CG1-CG2 4.42Å; V169-V182 HydrophobicContact CG2-CG1 4.03Å; V169-V182 HydrophobicContact CG2-CG2 4.02Å
170Y90.8Very high88.5Confident6 Ų660.4 Ų60.42%0.02429%0.287CS..  trans-78.2144.4177-75.2-93.4000111.7K168 V181 Q183 L225 N226 Y227K168-Y170 HydrophobicContact CD-CE1 4.15Å; K168-Y170 HydrophobicContact CD-CE2 4.12Å; Y170-V181 HydrophobicContact CD2-CB 3.99Å; Y170-V181 HydrophobicContact CD2-CG1 4.29Å; Y170-V181 PolarHBondContact N-O 2.94Å; Y170-Q183 HydrophobicContact CE2-CB 4Å; Y170-Q183 PolarHBondContact OH-OE1 3.04Å; Y170-L225 VanDerWaalsContact CE1-O 3.31Å; Y170-L225 WeakPolarHBondContact CE1-O 3Å; Y170-N226 VanDerWaalsContact CD1-O 3.27Å; Y170-N226 WeakPolarHBondContact CD1-O 3.37Å; Y170-Y227 VanDerWaalsContact CB-O 3.26Å; Y170-Y227 WeakPolarHBondContact CB-O 3.32Å
171Q87.3Confident88.5Confident173 Ų17355.9 Ų55.981%0.80826%0.263SS*.SBendtrans-87.1-29-177.4-70.9-171.60.100113R180Q171-R180 PolarHBondContact O-NH1 2.84Å
172M87.5Confident88.5Confident77 Ų7749 Ų4938%0.37923%0.233SC..SBendtrans-76.2147169-49.4-150.5-31.700109.9D223 N226M172-D223 HydrophobicContact CE-CB 3.89Å; M172-N226 HydrophobicContact CE-CB 3.45Å; M172-N226 VanDerWaalsContact CE-CB 3.45Å; M172-N226 HydrophobicContact CG-CB 4.3Å; M172-N226 HydrophobicContact SD-CB 3.74Å
173L87.4Confident88.5Confident60 Ų6048.2 Ų48.231%0.31423%0.231SC..PPolyproline II helixtrans-73.6156.7165.9-53.5179.7000109.3E141 S177 D179 R180 Y227E141-L173 HydrophobicContact CB-CD2 3.9Å; E141-L173 HydrophobicContact CG-CD2 4.36Å; L173-S177 WeakPolarHBondContact CB-O 3.33Å; L173-S177 WeakPolarHBondContact CD1-O 3.3Å; L173-D179 CarbonylContact C-O 3.59Å; L173-D179 WeakPolarHBondContact CA-O 3.49Å; L173-R180 HydrophobicContact CD2-CG 3.62Å; L173-Y227 WeakPolarHBondContact O-CB 3.27Å
174A83.4Confident88.7Confident2 Ų240.3 Ų40.32%0.01720%0.196CC..PPolyproline II helixtrans-63.4144.7166.700000110.1L176 S177 D179 Y214 Y227A174-L176 PolarHBondContact O-N 3.25Å; A174-S177 PolarHBondContact O-N 2.97Å; A174-S177 VanDerWaalsContact O-N 3.16Å; A174-D179 PolarHBondContact N-O 3.34Å; A174-Y214 HydrophobicContact CB-CD1 3.98Å; A174-Y214 HydrophobicContact CB-CD2 3.48Å; A174-Y214 VanDerWaalsContact CB-CD2 3.48Å; A174-Y214 HydrophobicContact CB-CE1 4.22Å; A174-Y214 HydrophobicContact CB-CE2 3.76Å; A174-Y214 HydrophobicContact CB-CG 3.61Å; A174-Y227 HydrophobicContact CB-CD2 4.18Å
175P82.1Confident88.8Confident31 Ų3140.3 Ų40.320%0.20120%0.196CC..THydrogen-bonded Turntrans-59.7133.6-171.918.9-29.7000112.6S177 Y214 N218 Y227P175-S177 VanDerWaalsContact C-N 3.33Å; P175-S177 PolarHBondContact O-N 3.12Å; P175-S177 PolarHBondContact O-OG 3.19Å; P175-Y214 HydrophobicContact CG-CE2 3.9Å; P175-N218 WeakPolarHBondContact CB-O 3.49Å; P175-N218 WeakPolarHBondContact CG-O 3.47Å; P175-Y227 HydrophobicContact CG-CD1 4.43Å; P175-Y227 HydrophobicContact CG-CE1 4.02Å
176L84.1Confident89.1Confident141 Ų14135.6 Ų35.674%0.73818%0.179SC*.THydrogen-bonded Turntrans57.436.3-174.7-58.6174.4000114.1A174 N218A174-L176 PolarHBondContact O-N 3.25Å; L176-N218 HydrophobicContact CD1-CB 4.37Å
177S87.5Confident89.2Confident12 Ų1236.5 Ų36.58%0.08418%0.182CC..SBendtrans-154.1169.3-174.9-60.30000114.8L173 A174 P175 Y214L173-S177 WeakPolarHBondContact CB-O 3.33Å; L173-S177 WeakPolarHBondContact CD1-O 3.3Å; A174-S177 PolarHBondContact O-N 2.97Å; A174-S177 VanDerWaalsContact O-N 3.16Å; P175-S177 VanDerWaalsContact C-N 3.33Å; P175-S177 PolarHBondContact O-N 3.12Å; P175-S177 PolarHBondContact O-OG 3.19Å; S177-Y214 VanDerWaalsContact OG-CA 3.23Å; S177-Y214 WeakPolarHBondContact OG-CA 3.34Å
178T88.9Confident89.1Confident16 Ų1637.7 Ų37.710%0.09819%0.191CC..SBendtrans-100.21.8-179.653.90000114.3H140 E141 E212H140-T178 PolarHBondContact CD2-OG1 2.71Å; H140-T178 VanDerWaalsContact CD2-OG1 3.31Å; E141-T178 PolarHBondContact N-O 2.79Å; T178-E212 HydrophobicContact CG2-CB 4.07Å; T178-E212 PolarHBondContact N-O 2.88Å; T178-E212 PolarHBondContact OG1-N 3Å; T178-E212 PolarHBondContact OG1-O 3.21Å
179D92Very high89.1Confident0 Ų038.3 Ų38.30%020%0.199CC..EExtended strand (participates in β ladder)trans-87.4146.9-179.1-68.4-56000113.1R30 L138 H140 L173 A174 D213 Y214R30-D179 IonicContact CZ-OD1 2.98Å; R30-D179 IonicContact CZ-OD2 3.04Å; R30-D179 VanDerWaalsContact CZ-OD2 3.32Å; R30-D179 IonicContact NH1-OD1 3.13Å; R30-D179 IonicContact NH1-OD2 2.75Å; R30-D179 PolarHBondContact NH1-OD2 3.26Å; R30-D179 VanDerWaalsContact NH2-CG 3.28Å; R30-D179 IonicContact NH2-OD1 3.96Å; R30-D179 PolarHBondContact NH2-OD1 3.45Å; R30-D179 IonicContact NH2-OD2 2.7Å; R30-D179 PolarHBondContact NH2-OD2 3.14Å; L138-D179 HydrophobicContact CB-CB 4.31Å; L138-D179 HydrophobicContact CD2-CB 4Å; H140-D179 PolarHBondContact N-OD1 3.44Å; L173-D179 CarbonylContact C-O 3.59Å; L173-D179 WeakPolarHBondContact CA-O 3.49Å; A174-D179 PolarHBondContact N-O 3.34Å; D179-D213 WeakPolarHBondContact OD2-CA 3.46Å; D179-Y214 PolarHBondContact OD2-N 3.04Å
180R92.5Very high89.1Confident57 Ų5739.1 Ų39.122%0.21520%0.202CC..EExtended strand (participates in β ladder)trans-111.3142.9166.7-65.6173.9-171.9-103-5109.1V139 E141 A144 Q171 L173V139-R180 PolarHBondContact N-O 3.43Å; V139-R180 PolarHBondContact O-N 3.23Å; E141-R180 HydrophobicContact CB-CG 4.14Å; E141-R180 IonicContact OE2-CZ 2.69Å; E141-R180 IonicContact OE2-NE 3.79Å; E141-R180 IonicContact OE2-NH2 3.34Å; E141-R180 PolarHBondContact OE2-NH2 3.43Å; A144-R180 HydrophobicContact CB-CB 4.46Å; Q171-R180 PolarHBondContact O-NH1 2.84Å; L173-R180 HydrophobicContact CD2-CG 3.62Å
181V92.8Very high89.1Confident0 Ų038.9 Ų38.90%020%0.201CC..EExtended strand (participates in β ladder)trans-81.2134.7171.9-175.60000109.9L32 R136 I137 L138 Y170 Y227L32-V181 HydrophobicContact CD2-CG1 4.48Å; L32-V181 HydrophobicContact CD2-CG2 3.73Å; R136-V181 HydrophobicContact CB-CG1 3.77Å; R136-V181 HydrophobicContact CG-CG1 4.28Å; I137-V181 CarbonylContact O-C 3.12Å; I137-V181 WeakPolarHBondContact O-CA 3.39Å; L138-V181 HydrophobicContact CD2-CG2 4.01Å; Y170-V181 HydrophobicContact CD2-CB 3.99Å; Y170-V181 HydrophobicContact CD2-CG1 4.29Å; Y170-V181 PolarHBondContact N-O 2.94Å; V181-Y227 VanDerWaalsContact CB-O 3.28Å; V181-Y227 WeakPolarHBondContact CB-O 3.46Å; V181-Y227 HydrophobicContact CG2-CD2 4.34Å; V181-Y227 WeakPolarHBondContact CG2-O 3.21Å
182V93.7Very high89.3Confident0 Ų030.8 Ų30.80%016%0.163CC..EExtended strand (participates in β ladder)trans-110114.7164.9-171.10000108.4R136 I137 V139 K168 V169 M184R136-V182 WeakPolarHBondContact CA-O 3.16Å; I137-V182 HydrophobicContact CD1-CB 4.33Å; I137-V182 HydrophobicContact CG1-CB 3.77Å; I137-V182 HydrophobicContact CG1-CG2 4.3Å; I137-V182 PolarHBondContact N-O 2.92Å; I137-V182 PolarHBondContact O-N 3.47Å; V139-V182 HydrophobicContact CB-CG2 4.22Å; V139-V182 HydrophobicContact CG2-CG2 3.93Å; K168-V182 WeakPolarHBondContact O-CA 3.48Å; V169-V182 HydrophobicContact CG1-CG2 4.42Å; V169-V182 HydrophobicContact CG2-CG1 4.03Å; V169-V182 HydrophobicContact CG2-CG2 4.02Å; V182-M184 HydrophobicContact CG1-CG 4.44Å
183Q92.1Very high89.5Confident8 Ų831.3 Ų31.34%0.03717%0.165CC..EExtended strand (participates in β ladder)trans-91.2134.7176.2-167.7-172.119.200110D134 R136 I167 K168 Y170 V185D134-Q183 WeakPolarHBondContact OD1-CG 3.44Å; D134-Q183 PolarHBondContact OD2-NE2 3.29Å; R136-Q183 HydrophobicContact CG-CB 4.48Å; R136-Q183 HydrophobicContact CG-CG 4.22Å; I167-Q183 WeakPolarHBondContact CA-O 3.46Å; K168-Q183 HydrophobicContact CB-CB 4.36Å; K168-Q183 PolarHBondContact N-O 2.96Å; K168-Q183 PolarHBondContact O-N 2.75Å; Y170-Q183 HydrophobicContact CE2-CB 4Å; Y170-Q183 PolarHBondContact OH-OE1 3.04Å; Q183-V185 HydrophobicContact CG-CG2 4.14Å
184M91.3Very high89.8Confident0 Ų028.5 Ų28.50%015%0.15CC..EExtended strand (participates in β ladder)trans-136.3117179.2-64175.3-67.800109.1D134 F135 I137 I167 V182 V191 L195 V198D134-M184 WeakPolarHBondContact CA-O 3.43Å; F135-M184 HydrophobicContact CB-CE 4.5Å; F135-M184 PolarHBondContact N-O 3.15Å; F135-M184 PolarHBondContact O-N 2.97Å; I137-M184 HydrophobicContact CD1-CE 4.27Å; I137-M184 HydrophobicContact CG1-CE 4.21Å; I137-M184 HydrophobicContact CG2-CE 4.22Å; I167-M184 HydrophobicContact CD1-CG 4.27Å; I167-M184 HydrophobicContact CG1-CG 4.2Å; V182-M184 HydrophobicContact CG1-CG 4.44Å; M184-V191 HydrophobicContact CB-CG1 4.06Å; M184-L195 HydrophobicContact CE-CB 4.45Å; M184-L195 HydrophobicContact CE-CD1 3.99Å; M184-V198 HydrophobicContact SD-CG2 4.03Å
185V90.2Very high90.2Very high4 Ų428.4 Ų28.42%0.02415%0.15CC..EExtended strand (participates in β ladder)trans-125.9114.7-177.1-169.30000109.7A98 M132 I133 D134 R165 V166 Q183A98-V185 HydrophobicContact CB-CG1 3.52Å; M132-V185 HydrophobicContact CB-CG1 4.17Å; I133-V185 WeakPolarHBondContact O-CA 3.37Å; D134-V185 HydrophobicContact CB-CG2 3.85Å; R165-V185 WeakPolarHBondContact CB-O 3.13Å; R165-V185 PolarHBondContact N-O 3.35Å; V166-V185 HydrophobicContact CB-CB 3.92Å; V166-V185 HydrophobicContact CB-CG2 3.9Å; V166-V185 HydrophobicContact CG2-CB 4.31Å; V166-V185 HydrophobicContact CG2-CG2 4.42Å; V166-V185 PolarHBondContact N-O 2.96Å; V166-V185 VanDerWaalsContact N-O 3.11Å; V166-V185 PolarHBondContact O-N 2.9Å; Q183-V185 HydrophobicContact CG-CG2 4.14Å
186A89Confident90.7Very high0 Ų031.6 Ų31.60%016%0.158CC..EExtended strand (participates in β ladder)trans-167.4-170171.600000110.3M132 I133 M164 N190 V191M132-A186 CarbonylContact C-O 3.51Å; M132-A186 VanDerWaalsContact CA-O 3.28Å; M132-A186 WeakPolarHBondContact CA-O 3.48Å; I133-A186 PolarHBondContact N-O 2.87Å; M164-A186 HydrophobicContact CE-CB 3.29Å; M164-A186 HydrophobicContact SD-CB 4Å; A186-N190 HydrophobicContact CB-CB 4.12Å; A186-V191 HydrophobicContact CB-CG2 3.66Å; A186-V191 WeakPolarHBondContact O-CG2 3.41Å
187D89.1Confident91.1Very high54 Ų5425.1 Ų25.129%0.28913%0.125SC..  trans-58.1149.6171.1-39.1-83.1000112.2D189 N190 V191D187-D189 VanDerWaalsContact C-N 3.35Å; D187-D189 PolarHBondContact O-N 3.13Å; D187-N190 HydrophobicContact CB-CB 4.22Å; D187-N190 PolarHBondContact O-N 3.49Å; D187-N190 PolarHBondContact OD2-ND2 2.81Å; D187-V191 WeakPolarHBondContact O-CG2 3.27Å; D187-V191 PolarHBondContact O-N 3.41Å
188P87.8Confident91.3Very high42 Ų4224.6 Ų24.627%0.27312%0.121SC..Hα-helixtrans-53.8-44.4-176.719.9-33.8000114C89 I133 V192C89-P188 HydrophobicContact CB-CB 3.73Å; I133-P188 HydrophobicContact CD1-CB 4.05Å; P188-V192 WeakPolarHBondContact O-CG2 3.34Å; P188-V192 PolarHBondContact O-N 2.78Å; P188-V192 VanDerWaalsContact O-N 3.16Å
189D89.2Confident91.4Very high99 Ų9924 Ų2453%0.52912%0.117SC..Hα-helixtrans-69.2-32.6178.9-68.5-64.3000113.2D187 Q193D187-D189 VanDerWaalsContact C-N 3.35Å; D187-D189 PolarHBondContact O-N 3.13Å; D189-Q193 WeakPolarHBondContact O-CG 3.46Å; D189-Q193 PolarHBondContact O-N 3.37Å; D189-Q193 PolarHBondContact O-NE2 3.04Å; D189-Q193 VanDerWaalsContact O-NE2 3.12Å
190N91.8Very high91.3Very high39 Ų3926.9 Ų26.921%0.20913%0.13CC..Hα-helixtrans-74-43.2178.3-76.5-30.5000110.8Y162 M164 A186 D187 Q193 C194Y162-N190 WeakPolarHBondContact O-CB 3.26Å; M164-N190 VanDerWaalsContact CE-C 3.41Å; M164-N190 HydrophobicContact CE-CB 3.77Å; M164-N190 WeakPolarHBondContact CE-O 3.49Å; A186-N190 HydrophobicContact CB-CB 4.12Å; D187-N190 HydrophobicContact CB-CB 4.22Å; D187-N190 PolarHBondContact O-N 3.49Å; D187-N190 PolarHBondContact OD2-ND2 2.81Å; N190-Q193 PolarHBondContact O-N 3.06Å; N190-C194 PolarHBondContact O-N 2.99Å
191V91.2Very high91.2Very high1 Ų124.2 Ų24.21%0.00612%0.121CC..Hα-helixtrans-66.9-39.3178.4-174.50000111.3F135 M164 M184 A186 D187 Q193 C194 L195F135-V191 HydrophobicContact CB-CG1 4.09Å; F135-V191 HydrophobicContact CD2-CB 4.31Å; F135-V191 HydrophobicContact CD2-CG1 3.69Å; F135-V191 HydrophobicContact CG-CG1 4.27Å; M164-V191 HydrophobicContact CE-CG2 4.21Å; M164-V191 HydrophobicContact SD-CG2 4.41Å; M184-V191 HydrophobicContact CB-CG1 4.06Å; A186-V191 HydrophobicContact CB-CG2 3.66Å; A186-V191 WeakPolarHBondContact O-CG2 3.41Å; D187-V191 WeakPolarHBondContact O-CG2 3.27Å; D187-V191 PolarHBondContact O-N 3.41Å; V191-Q193 VanDerWaalsContact C-N 3.3Å; V191-Q193 PolarHBondContact O-N 3.11Å; V191-C194 PolarHBondContact O-N 3.41Å; V191-L195 WeakPolarHBondContact O-CB 3.33Å; V191-L195 PolarHBondContact O-N 2.89Å
192V92Very high91Very high3 Ų325.3 Ų25.32%0.01813%0.127CC..Hα-helixtrans-61.2-38.4175.9171.20000111.8C82 M85 R86 P188 R196C82-V192 HydrophobicContact CB-CG1 3.94Å; C82-V192 WeakPolarHBondContact O-CG1 3.49Å; M85-V192 HydrophobicContact CB-CG2 3.88Å; R86-V192 HydrophobicContact CG-CB 4.47Å; R86-V192 HydrophobicContact CG-CG1 4.16Å; R86-V192 HydrophobicContact CG-CG2 4.03Å; P188-V192 WeakPolarHBondContact O-CG2 3.34Å; P188-V192 PolarHBondContact O-N 2.78Å; P188-V192 VanDerWaalsContact O-N 3.16Å; V192-R196 PolarHBondContact O-N 2.91Å
193Q92.2Very high90.6Very high89 Ų8928.2 Ų28.242%0.41614%0.141SC..Hα-helixtrans-70.4-39175.7-71.3177.168.900113.2Y162 D189 N190 V191 A197Y162-Q193 HydrophobicContact CD1-CB 3.6Å; Y162-Q193 HydrophobicContact CE1-CB 3.57Å; Y162-Q193 HydrophobicContact CG-CB 4.5Å; D189-Q193 WeakPolarHBondContact O-CG 3.46Å; D189-Q193 PolarHBondContact O-N 3.37Å; D189-Q193 PolarHBondContact O-NE2 3.04Å; D189-Q193 VanDerWaalsContact O-NE2 3.12Å; N190-Q193 PolarHBondContact O-N 3.06Å; V191-Q193 VanDerWaalsContact C-N 3.3Å; V191-Q193 PolarHBondContact O-N 3.11Å; Q193-A197 PolarHBondContact O-N 3.15Å
194C92.4Very high90.3Very high0 Ų030.7 Ų30.70%016%0.159CC..Hα-helixtrans-67.1-47.8176-171.70000111.5Y162 M164 N190 V191 R196 A197 V198Y162-C194 HydrophobicContact CD2-CB 3.82Å; Y162-C194 HydrophobicContact CG-CB 4.02Å; M164-C194 HydrophobicContact CE-CB 3.75Å; M164-C194 HydrophobicContact CG-CB 4.25Å; M164-C194 HydrophobicContact SD-CB 3.55Å; M164-C194 VanDerWaalsContact SD-CB 3.55Å; M164-C194 VanDerWaalsContact SD-SG 3.63Å; N190-C194 PolarHBondContact O-N 2.99Å; V191-C194 PolarHBondContact O-N 3.41Å; C194-R196 VanDerWaalsContact C-N 3.27Å; C194-R196 PolarHBondContact O-N 2.75Å; C194-A197 PolarHBondContact O-N 3.11Å; C194-V198 WeakPolarHBondContact O-CG2 3.35Å; C194-V198 PolarHBondContact O-N 2.96Å
195L92.4Very high90Very high1 Ų131.7 Ų31.71%0.00517%0.168CC..Hα-helixtrans-49.2-48.1174.3172.164.1000111F31 M85 I137 M184 V191 A197 V198 I199F31-L195 HydrophobicContact CE1-CD1 3.8Å; F31-L195 HydrophobicContact CE1-CD2 3.97Å; F31-L195 HydrophobicContact CZ-CD1 4.09Å; F31-L195 HydrophobicContact CZ-CD2 4.06Å; M85-L195 HydrophobicContact CB-CD2 4.43Å; M85-L195 HydrophobicContact CE-CD2 3.77Å; M85-L195 HydrophobicContact CG-CD2 3.87Å; I137-L195 HydrophobicContact CG2-CD1 4.14Å; M184-L195 HydrophobicContact CE-CB 4.45Å; M184-L195 HydrophobicContact CE-CD1 3.99Å; V191-L195 WeakPolarHBondContact O-CB 3.33Å; V191-L195 PolarHBondContact O-N 2.89Å; L195-A197 PolarHBondContact O-N 2.95Å; L195-V198 PolarHBondContact O-N 3.11Å; L195-I199 HydrophobicContact CD1-CD1 3.8Å; L195-I199 HydrophobicContact CD1-CG1 4.09Å; L195-I199 HydrophobicContact CG-CD1 3.71Å; L195-I199 HydrophobicContact CG-CG1 4.44Å; L195-I199 WeakPolarHBondContact O-CD1 3.41Å; L195-I199 WeakPolarHBondContact O-CG1 3.31Å; L195-I199 PolarHBondContact O-N 3.29Å
196R92Very high89.5Confident97 Ų9734.1 Ų34.137%0.36618%0.183SC..Hα-helixtrans-53.6-49.4175.5-171.7-168.7153.8150.82.8112.4L78 V192 C194 V198 I199 E200L78-R196 HydrophobicContact CD1-CG 4.05Å; L78-R196 HydrophobicContact CD2-CG 3.86Å; L78-R196 HydrophobicContact CG-CG 4.07Å; V192-R196 PolarHBondContact O-N 2.91Å; C194-R196 VanDerWaalsContact C-N 3.27Å; C194-R196 PolarHBondContact O-N 2.75Å; R196-V198 VanDerWaalsContact C-N 3.33Å; R196-V198 PolarHBondContact O-N 2.76Å; R196-I199 PolarHBondContact O-N 3.25Å; R196-E200 IonicContact CZ-OE1 3.79Å; R196-E200 VanDerWaalsContact CZ-OE1 3.27Å; R196-E200 IonicContact NE-OE1 3.3Å; R196-E200 PolarHBondContact NE-OE1 3.13Å; R196-E200 IonicContact NH2-OE1 2.68Å; R196-E200 PolarHBondContact NH2-OE1 3.1Å; R196-E200 WeakPolarHBondContact O-CG 3.31Å; R196-E200 PolarHBondContact O-N 3.17Å
197A92.1Very high89.1Confident6 Ų636.9 Ų36.95%0.0520%0.201CC..Hα-helixtrans-72.5-24.1-178.300000113.8R154 L158 Y162 Q193 C194 L195 A201R154-A197 PolarHBondContact NH2-O 2.8Å; L158-A197 HydrophobicContact CD2-CB 3.63Å; Y162-A197 HydrophobicContact CE2-CB 3.86Å; Q193-A197 PolarHBondContact O-N 3.15Å; C194-A197 PolarHBondContact O-N 3.11Å; L195-A197 PolarHBondContact O-N 2.95Å; A197-A201 PolarHBondContact O-N 3.46Å
198V92.3Very high88.7Confident0 Ų043.7 Ų43.70%022%0.223CC..Hα-helixtrans-72.8-44.7170.2173.40000110.5I137 V147 L158 M184 C194 L195 R196 A201 V202I137-V198 HydrophobicContact CD1-CG1 3.56Å; V147-V198 HydrophobicContact CG1-CG1 3.93Å; V147-V198 HydrophobicContact CG1-CG2 4.18Å; V147-V198 HydrophobicContact CG2-CG1 3.99Å; L158-V198 HydrophobicContact CD1-CG2 3.69Å; M184-V198 HydrophobicContact SD-CG2 4.03Å; C194-V198 WeakPolarHBondContact O-CG2 3.35Å; C194-V198 PolarHBondContact O-N 2.96Å; L195-V198 PolarHBondContact O-N 3.11Å; R196-V198 VanDerWaalsContact C-N 3.33Å; R196-V198 PolarHBondContact O-N 2.76Å; V198-A201 CarbonylContact O-C 3.42Å; V198-A201 WeakPolarHBondContact O-CA 3.21Å; V198-A201 WeakPolarHBondContact O-CB 3.38Å; V198-A201 PolarHBondContact O-N 3.3Å; V198-A201 VanDerWaalsContact O-N 3.08Å; V198-V202 HydrophobicContact CG1-CG2 4.48Å; V198-V202 WeakPolarHBondContact O-CG2 3.31Å; V198-V202 PolarHBondContact O-N 3.3Å
199I90.9Very high88.3Confident4 Ų445.4 Ų45.42%0.02125%0.248CC..Hα-helixtrans-59.6-49.1175-64.9158.5000110.8V27 I29 L78 L195 R196 A201 V202 E203V27-I199 HydrophobicContact CG1-CG2 3.52Å; I29-I199 HydrophobicContact CD1-CB 4.39Å; I29-I199 HydrophobicContact CD1-CD1 3.33Å; I29-I199 HydrophobicContact CD1-CG1 3.51Å; I29-I199 HydrophobicContact CD1-CG2 3.94Å; I29-I199 HydrophobicContact CG1-CD1 4.32Å; I29-I199 HydrophobicContact CG1-CG1 3.99Å; I29-I199 HydrophobicContact CG1-CG2 4.39Å; L78-I199 HydrophobicContact CD1-CB 4.02Å; L78-I199 HydrophobicContact CD1-CD1 3.72Å; L78-I199 HydrophobicContact CD1-CG1 4.5Å; L78-I199 HydrophobicContact CD1-CG2 3.75Å; L195-I199 HydrophobicContact CD1-CD1 3.8Å; L195-I199 HydrophobicContact CD1-CG1 4.09Å; L195-I199 HydrophobicContact CG-CD1 3.71Å; L195-I199 HydrophobicContact CG-CG1 4.44Å; L195-I199 WeakPolarHBondContact O-CD1 3.41Å; L195-I199 WeakPolarHBondContact O-CG1 3.31Å; L195-I199 PolarHBondContact O-N 3.29Å; R196-I199 PolarHBondContact O-N 3.25Å; I199-A201 PolarHBondContact O-N 3.08Å; I199-A201 VanDerWaalsContact O-N 3.17Å; I199-V202 PolarHBondContact O-N 3.5Å; I199-E203 HydrophobicContact CG2-CG 4.27Å; I199-E203 PolarHBondContact O-N 3.16Å
200E89.7Confident88Confident60 Ų6050 Ų5028%0.2826%0.258SS..Hα-helixtrans-56.2-32175.2-72.1169.9179.400111.9L24 L78 R196 S204L24-E200 HydrophobicContact CD1-CG 4.16Å; L78-E200 HydrophobicContact CD2-CG 3.92Å; R196-E200 IonicContact CZ-OE1 3.79Å; R196-E200 VanDerWaalsContact CZ-OE1 3.27Å; R196-E200 IonicContact NE-OE1 3.3Å; R196-E200 PolarHBondContact NE-OE1 3.13Å; R196-E200 IonicContact NH2-OE1 2.68Å; R196-E200 PolarHBondContact NH2-OE1 3.1Å; R196-E200 WeakPolarHBondContact O-CG 3.31Å; R196-E200 PolarHBondContact O-N 3.17Å; E200-S204 WeakPolarHBondContact O-CB 3.14Å; E200-S204 PolarHBondContact O-N 2.9Å
201A90.4Very high87.7Confident2 Ų254.7 Ų54.72%0.01727%0.273CS..Hα-helixtrans-77.2-35.1174.600000113.6S146 A197 V198 I199 S204S146-A201 WeakPolarHBondContact CB-O 3.27Å; S146-A201 PolarHBondContact OG-O 3.39Å; A197-A201 PolarHBondContact O-N 3.46Å; V198-A201 CarbonylContact O-C 3.42Å; V198-A201 WeakPolarHBondContact O-CA 3.21Å; V198-A201 WeakPolarHBondContact O-CB 3.38Å; V198-A201 PolarHBondContact O-N 3.3Å; V198-A201 VanDerWaalsContact O-N 3.08Å; I199-A201 PolarHBondContact O-N 3.08Å; I199-A201 VanDerWaalsContact O-N 3.17Å; A201-S204 PolarHBondContact O-OG 3.04Å
202V89.4Confident87.5Confident22 Ų2259 Ų5913%0.13329%0.292CS..Hα-helixtrans-68.9-49176.4170.10000110.6V139 Q143 V147 V198 I199 S204 A205V139-V202 HydrophobicContact CG1-CG2 3.86Å; V139-V202 HydrophobicContact CG2-CG2 4.09Å; Q143-V202 HydrophobicContact CB-CG1 4.49Å; Q143-V202 PolarHBondContact NE2-O 3.23Å; V147-V202 HydrophobicContact CG2-CG2 3.75Å; V198-V202 HydrophobicContact CG1-CG2 4.48Å; V198-V202 WeakPolarHBondContact O-CG2 3.31Å; V198-V202 PolarHBondContact O-N 3.3Å; I199-V202 PolarHBondContact O-N 3.5Å; V202-S204 VanDerWaalsContact C-N 3.3Å; V202-S204 PolarHBondContact O-N 2.96Å; V202-A205 CarbonylContact O-C 3.4Å; V202-A205 PolarHBondContact O-N 2.97Å
203E86.1Confident87.2Confident62 Ų6261.9 Ų61.929%0.2931%0.308SS..Hα-helixtrans-66.8-29.6179.3-65.1-64.5169.400112.6V22 L24 V27 I199 A205V22-E203 HydrophobicContact CG1-CB 3.78Å; L24-E203 HydrophobicContact CD2-CB 4.28Å; L24-E203 HydrophobicContact CD2-CG 4.31Å; V27-E203 HydrophobicContact CG1-CG 4.32Å; V27-E203 HydrophobicContact CG2-CG 4.29Å; I199-E203 HydrophobicContact CG2-CG 4.27Å; I199-E203 PolarHBondContact O-N 3.16Å; E203-A205 PolarHBondContact O-N 3.41Å
204S85.6Confident87Confident60 Ų6058.1 Ų58.142%0.4229%0.29SS..Hα-helixtrans-62.3-24.1172.2790000113.7E200 A201 V202E200-S204 WeakPolarHBondContact O-CB 3.14Å; E200-S204 PolarHBondContact O-N 2.9Å; A201-S204 PolarHBondContact O-OG 3.04Å; V202-S204 VanDerWaalsContact C-N 3.3Å; V202-S204 PolarHBondContact O-N 2.96Å
205A84.5Confident86.7Confident21 Ų2162 Ų6217%0.17431%0.31CS..SBendtrans-120.790-174.200000109.9Q143 V202 E203Q143-A205 VanDerWaalsContact CG-O 3.29Å; Q143-A205 WeakPolarHBondContact CG-O 3.4Å; Q143-A205 PolarHBondContact NE2-O 3.33Å; V202-A205 CarbonylContact O-C 3.4Å; V202-A205 PolarHBondContact O-N 2.97Å; E203-A205 PolarHBondContact O-N 3.41Å
206P79.7Confident86.3Confident55 Ų5562 Ų6236%0.35731%0.311SS..  trans-59147.4178.124.8-34.8000111.2
207P81.4Confident85.8Confident57 Ų5760.3 Ų60.337%0.3732%0.318SS..  trans-60.9143.4-179.626.2-34.1000111.1H140 S142 Q143H140-P207 HydrophobicContact CB-CB 4.27Å; S142-P207 WeakPolarHBondContact OG-CA 3.48Å; Q143-P207 HydrophobicContact CG-CB 4.34Å
208R79.6Confident85.3Confident198 Ų19863 Ų6375%0.74733%0.331SS*.  trans-130.3126-178-61.6178.9-178165.7-0.8109.7H140 S142H140-R208 PolarHBondContact CE1-O 2.86Å; S142-R208 PolarHBondContact OG-N 2.89Å
209G80.3Confident84.7Confident77 Ų7766.2 Ų66.279%0.79435%0.345SS*.SBendtrans113.4-160.8-179.900000112.4
210R81.6Confident84.1Confident196 Ų19667.5 Ų67.574%0.7435%0.354SS*.  trans-65.2138.8165.4-70.5172.4169-100.9-3.8108.5H140 E212H140-R210 PolarHBondContact NE2-O 3.42Å; R210-E212 IonicContact NH1-OE1 2.72Å; R210-E212 PolarHBondContact NH1-OE1 2.81Å
211R85.6Confident83.5Confident138 Ų13867 Ų6752%0.52135%0.352SS..  trans-118.1105.1170.7178.2178.4168.1-174.9-8.2108.5D213R211-D213 WeakPolarHBondContact CG-OD1 3.28Å; R211-D213 IonicContact CZ-OD1 2.69Å; R211-D213 IonicContact CZ-OD2 3.46Å; R211-D213 IonicContact NE-OD1 3.51Å; R211-D213 PolarHBondContact NE-OD1 3.06Å; R211-D213 IonicContact NE-OD2 2.74Å; R211-D213 PolarHBondContact NE-OD2 3.27Å; R211-D213 IonicContact NH2-OD1 3.48Å; R211-D213 PolarHBondContact NH2-OD1 2.9Å; R211-D213 IonicContact NH2-OD2 3.67Å; R211-D213 PolarHBondContact NH2-OD2 3.36Å
212E86.6Confident82.8Confident90 Ų9068.2 Ų68.242%0.42137%0.365SS..  trans-115100172.3-67.9161.4-153.300105.6T178 R210T178-E212 HydrophobicContact CG2-CB 4.07Å; T178-E212 PolarHBondContact N-O 2.88Å; T178-E212 PolarHBondContact OG1-N 3Å; T178-E212 PolarHBondContact OG1-O 3.21Å; R210-E212 IonicContact NH1-OE1 2.72Å; R210-E212 PolarHBondContact NH1-OE1 2.81Å
213D87.1Confident82.4Confident65 Ų6570.5 Ų70.535%0.34838%0.376SS..  trans-72.8136.6-175.4-872.4000110.6R30 D179 R211R30-D213 IonicContact CZ-OD1 3.72Å; R30-D213 VanDerWaalsContact CZ-OD1 3.29Å; R30-D213 IonicContact CZ-OD2 2.78Å; R30-D213 IonicContact NE-OD1 2.92Å; R30-D213 IonicContact NE-OD2 3.67Å; R30-D213 PolarHBondContact NE-OD2 3.02Å; R30-D213 IonicContact NH1-OD1 2.87Å; R30-D213 VanDerWaalsContact NH2-CG 3.31Å; R30-D213 IonicContact NH2-OD1 2.99Å; R30-D213 PolarHBondContact NH2-OD1 3.38Å; R30-D213 IonicContact NH2-OD2 3.29Å; D179-D213 WeakPolarHBondContact OD2-CA 3.46Å; R211-D213 WeakPolarHBondContact CG-OD1 3.28Å; R211-D213 IonicContact CZ-OD1 2.69Å; R211-D213 IonicContact CZ-OD2 3.46Å; R211-D213 IonicContact NE-OD1 3.51Å; R211-D213 PolarHBondContact NE-OD1 3.06Å; R211-D213 IonicContact NE-OD2 2.74Å; R211-D213 PolarHBondContact NE-OD2 3.27Å; R211-D213 IonicContact NH2-OD1 3.48Å; R211-D213 PolarHBondContact NH2-OD1 2.9Å; R211-D213 IonicContact NH2-OD2 3.67Å; R211-D213 PolarHBondContact NH2-OD2 3.36Å
214Y87.5Confident82.3Confident10 Ų1067.5 Ų67.54%0.03936%0.362CS..  trans-58.6143.5179.5-171.7-130.8000114L32 E69 I71 L138 A174 P175 S177 D179 N218 F219 Y227L32-Y214 HydrophobicContact CD1-CD1 4.31Å; L32-Y214 HydrophobicContact CD1-CE1 3.96Å; E69-Y214 WeakPolarHBondContact OE1-CE1 3.34Å; E69-Y214 PolarHBondContact OE1-OH 3.22Å; I71-Y214 VanDerWaalsContact CD1-C 3.44Å; I71-Y214 HydrophobicContact CD1-CD1 3.7Å; I71-Y214 HydrophobicContact CD1-CE1 4.48Å; I71-Y214 HydrophobicContact CD1-CG 4.13Å; I71-Y214 WeakPolarHBondContact CD1-O 3.39Å; I71-Y214 HydrophobicContact CG1-CD1 4.37Å; L138-Y214 HydrophobicContact CD1-CD1 4Å; L138-Y214 HydrophobicContact CD2-CD1 3.86Å; L138-Y214 HydrophobicContact CD2-CG 4.37Å; A174-Y214 HydrophobicContact CB-CD1 3.98Å; A174-Y214 HydrophobicContact CB-CD2 3.48Å; A174-Y214 VanDerWaalsContact CB-CD2 3.48Å; A174-Y214 HydrophobicContact CB-CE1 4.22Å; A174-Y214 HydrophobicContact CB-CE2 3.76Å; A174-Y214 HydrophobicContact CB-CG 3.61Å; P175-Y214 HydrophobicContact CG-CE2 3.9Å; S177-Y214 VanDerWaalsContact OG-CA 3.23Å; S177-Y214 WeakPolarHBondContact OG-CA 3.34Å; D179-Y214 PolarHBondContact OD2-N 3.04Å; Y214-N218 HydrophobicContact CE2-CB 4.25Å; Y214-F219 WeakPolarHBondContact OH-CA 3.44Å; Y214-Y227 PolarHBondContact OH-OH 3.07Å
215D85.8Confident82Confident80 Ų8066.1 Ų66.143%0.42835%0.35SS..  trans-123.3126.2168.1-175.7-6.8000108.8A217 N218D215-A217 PolarHBondContact O-N 3.07Å; D215-A217 VanDerWaalsContact O-N 3.1Å; D215-A217 WeakPolarHBondContact OD1-CB 3.27Å; D215-A217 PolarHBondContact OD1-N 2.94Å; D215-N218 WeakPolarHBondContact O-CB 3.39Å; D215-N218 PolarHBondContact O-N 3.3Å
216A84.3Confident82Confident3 Ų369.1 Ų69.13%0.02536%0.363CS..G310 helixtrans-66.9-4.6176.900000114E69 I71E69-A216 HydrophobicContact CG-CB 4.2Å; E69-A216 WeakPolarHBondContact O-CB 3.41Å; I71-A216 HydrophobicContact CG1-CB 4.23Å
217A82Confident82.3Confident60 Ų6066.6 Ų66.650%0.49635%0.346SS..G310 helixtrans-64.3-28.4163.800000112.9D215 F219D215-A217 PolarHBondContact O-N 3.07Å; D215-A217 VanDerWaalsContact O-N 3.1Å; D215-A217 WeakPolarHBondContact OD1-CB 3.27Å; D215-A217 PolarHBondContact OD1-N 2.94Å; A217-F219 VanDerWaalsContact C-N 3.34Å; A217-F219 PolarHBondContact O-N 2.92Å
218N80.6Confident82.5Confident62 Ų6263.9 Ų63.933%0.33233%0.329SS..G310 helixtrans-88.69.2-174-64-29.7000114.4P175 L176 Y214 D215 S220P175-N218 WeakPolarHBondContact CB-O 3.49Å; P175-N218 WeakPolarHBondContact CG-O 3.47Å; L176-N218 HydrophobicContact CD1-CB 4.37Å; Y214-N218 HydrophobicContact CE2-CB 4.25Å; D215-N218 WeakPolarHBondContact O-CB 3.39Å; D215-N218 PolarHBondContact O-N 3.3Å; N218-S220 PolarHBondContact O-N 3.37Å
219F80.3Confident82.8Confident69 Ų6954.5 Ų54.530%0.30329%0.294SS..  trans-56.3133.4-171.680.5-80000112.9G67 P68 E69 Y214 A217 E221G67-F219 VanDerWaalsContact CA-CE1 3.43Å; P68-F219 VanDerWaalsContact CD-CD2 3.44Å; P68-F219 HydrophobicContact CG-CD2 3.8Å; P68-F219 HydrophobicContact CG-CE2 3.88Å; P68-F219 HydrophobicContact CG-CG 4.43Å; E69-F219 HydrophobicContact CG-CB 4.28Å; Y214-F219 WeakPolarHBondContact OH-CA 3.44Å; A217-F219 VanDerWaalsContact C-N 3.34Å; A217-F219 PolarHBondContact O-N 2.92Å; F219-E221 HydrophobicContact CE2-CB 4.33Å
220S78.3Confident83.1Confident30 Ų3051.6 Ų51.621%0.2126%0.259CS..  trans-103.8115.4168.2171.40000108.8N218 G222 D223 A224N218-S220 PolarHBondContact O-N 3.37Å; S220-G222 VanDerWaalsContact C-N 3.32Å; S220-G222 PolarHBondContact O-N 2.95Å; S220-D223 WeakPolarHBondContact CB-OD2 3.22Å; S220-D223 PolarHBondContact O-N 3.13Å; S220-D223 PolarHBondContact OG-N 3.04Å; S220-D223 PolarHBondContact OG-OD2 2.7Å; S220-A224 PolarHBondContact O-N 3.48Å
221E77.8Confident83.1Confident51 Ų5143.7 Ų43.724%0.23823%0.231CC..THydrogen-bonded Turntrans-68.3-31.6179.3-175.8153.6-117.400112.7F219 L231 S232 A235F219-E221 HydrophobicContact CE2-CB 4.33Å; E221-L231 HydrophobicContact CG-CD2 4.38Å; E221-S232 WeakPolarHBondContact OE1-CB 3.43Å; E221-S232 PolarHBondContact OE1-N 2.75Å; E221-S232 PolarHBondContact OE1-OG 2.79Å; E221-A235 HydrophobicContact CG-CB 3.86Å; E221-A235 WeakPolarHBondContact OE1-CB 3.27Å
222G75.4Confident82.8Confident27 Ų2738.1 Ų38.128%0.27821%0.213SC..THydrogen-bonded Turntrans-68.8-37.7173.700000112.8S220S220-G222 VanDerWaalsContact C-N 3.32Å; S220-G222 PolarHBondContact O-N 2.95Å
223D81.2Confident82.4Confident69 Ų6942.4 Ų42.437%0.36923%0.225SC..THydrogen-bonded Turntrans-93.3-5.3-176.7-60.5-68.6000114.2M172 S220 L225 N226 Y227M172-D223 HydrophobicContact CE-CB 3.89Å; S220-D223 WeakPolarHBondContact CB-OD2 3.22Å; S220-D223 PolarHBondContact O-N 3.13Å; S220-D223 PolarHBondContact OG-N 3.04Å; S220-D223 PolarHBondContact OG-OD2 2.7Å; D223-L225 PolarHBondContact O-N 2.92Å; D223-L225 VanDerWaalsContact O-N 3.15Å; D223-N226 CarbonylContact O-C 3.6Å; D223-N226 WeakPolarHBondContact O-CA 3.37Å; D223-N226 WeakPolarHBondContact O-CB 3.45Å; D223-N226 PolarHBondContact O-N 3.3Å; D223-Y227 VanDerWaalsContact C-CD1 3.46Å; D223-Y227 HydrophobicContact CB-CD1 3.87Å; D223-Y227 HydrophobicContact CB-CE1 4.18Å; D223-Y227 WeakPolarHBondContact O-CD1 3.18Å; D223-Y227 PolarHBondContact O-N 2.98Å
224A82.4Confident82Confident0 Ų045 Ų450%024%0.236CC..Hα-helixtrans-51.2-41.6-177.800000112.5S220 N226 Y227 G228 G229 L231S220-A224 PolarHBondContact O-N 3.48Å; A224-N226 PolarHBondContact O-N 3.5Å; A224-Y227 VanDerWaalsContact CA-CE1 3.47Å; A224-Y227 HydrophobicContact CB-CE1 4.36Å; A224-G228 CarbonylContact O-C 3.56Å; A224-G228 VanDerWaalsContact O-CA 3.31Å; A224-G228 WeakPolarHBondContact O-CA 3.41Å; A224-G228 PolarHBondContact O-N 3.13Å; A224-G229 PolarHBondContact O-N 3.37Å; A224-L231 HydrophobicContact CB-CD2 3.68Å; A224-L231 HydrophobicContact CB-CG 4.38Å
225L79.8Confident81.5Confident30 Ų3044.9 Ų44.916%0.15724%0.237CC..Hα-helixtrans-68.5-17.9175.4-66.4-170.3000114.8P103 M107 Y170 D223 L231 L239 L245P103-L225 HydrophobicContact CB-CD1 3.8Å; P103-L225 HydrophobicContact CB-CD2 3.8Å; P103-L225 HydrophobicContact CB-CG 4.42Å; P103-L225 HydrophobicContact CG-CD1 4.45Å; P103-L225 HydrophobicContact CG-CD2 4.02Å; M107-L225 HydrophobicContact CE-CD1 3.88Å; Y170-L225 VanDerWaalsContact CE1-O 3.31Å; Y170-L225 WeakPolarHBondContact CE1-O 3Å; D223-L225 PolarHBondContact O-N 2.92Å; D223-L225 VanDerWaalsContact O-N 3.15Å; L225-L231 HydrophobicContact CD2-CD1 3.94Å; L225-L231 HydrophobicContact CD2-CG 4.44Å; L225-L231 HydrophobicContact CG-CD1 4.41Å; L225-L239 HydrophobicContact CD1-CD1 3.74Å; L225-L239 HydrophobicContact CG-CD1 4.43Å; L225-L245 HydrophobicContact CD1-CD1 4Å; L225-L245 HydrophobicContact CG-CD1 4.04Å
226N84.3Confident81Confident85 Ų8542.4 Ų42.446%0.45523%0.227SC..Hα-helixtrans-101-32.9-173.9-63.1-28.6000113Y170 M172 D223 A224Y170-N226 VanDerWaalsContact CD1-O 3.27Å; Y170-N226 WeakPolarHBondContact CD1-O 3.37Å; M172-N226 HydrophobicContact CE-CB 3.45Å; M172-N226 VanDerWaalsContact CE-CB 3.45Å; M172-N226 HydrophobicContact CG-CB 4.3Å; M172-N226 HydrophobicContact SD-CB 3.74Å; D223-N226 CarbonylContact O-C 3.6Å; D223-N226 WeakPolarHBondContact O-CA 3.37Å; D223-N226 WeakPolarHBondContact O-CB 3.45Å; D223-N226 PolarHBondContact O-N 3.3Å; A224-N226 PolarHBondContact O-N 3.5Å
227Y87.3Confident80.6Confident1 Ų144.3 Ų44.30%0.00424%0.243CC..Hα-helixtrans-96.4-18170.874.2-99.5000114E69 Y170 L173 A174 P175 V181 Y214 D223 A224 G229E69-Y227 PolarHBondContact OE1-OH 2.91Å; Y170-Y227 VanDerWaalsContact CB-O 3.26Å; Y170-Y227 WeakPolarHBondContact CB-O 3.32Å; L173-Y227 WeakPolarHBondContact O-CB 3.27Å; A174-Y227 HydrophobicContact CB-CD2 4.18Å; P175-Y227 HydrophobicContact CG-CD1 4.43Å; P175-Y227 HydrophobicContact CG-CE1 4.02Å; V181-Y227 VanDerWaalsContact CB-O 3.28Å; V181-Y227 WeakPolarHBondContact CB-O 3.46Å; V181-Y227 HydrophobicContact CG2-CD2 4.34Å; V181-Y227 WeakPolarHBondContact CG2-O 3.21Å; Y214-Y227 PolarHBondContact OH-OH 3.07Å; D223-Y227 VanDerWaalsContact C-CD1 3.46Å; D223-Y227 HydrophobicContact CB-CD1 3.87Å; D223-Y227 HydrophobicContact CB-CE1 4.18Å; D223-Y227 WeakPolarHBondContact O-CD1 3.18Å; D223-Y227 PolarHBondContact O-N 2.98Å; A224-Y227 VanDerWaalsContact CA-CE1 3.47Å; A224-Y227 HydrophobicContact CB-CE1 4.36Å; Y227-G229 VanDerWaalsContact CE2-N 3.33Å
228G84.4Confident80.4Confident0 Ų042.6 Ų42.60%023%0.229CC..THydrogen-bonded Turntrans102.617.2178.600000115.7R136 A224R136-G228 VanDerWaalsContact CD-O 3.26Å; R136-G228 WeakPolarHBondContact CD-O 3.31Å; R136-G228 PolarHBondContact NH1-O 3.21Å; A224-G228 CarbonylContact O-C 3.56Å; A224-G228 VanDerWaalsContact O-CA 3.31Å; A224-G228 WeakPolarHBondContact O-CA 3.41Å; A224-G228 PolarHBondContact O-N 3.13Å
229G85.7Confident80Confident1 Ų140.2 Ų40.21%0.0122%0.216CC..PPolyproline II helixtrans-70167.117400000114.7E69 R136 A224 Y227E69-G229 WeakPolarHBondContact OE2-CA 3.35Å; R136-G229 PolarHBondContact NH1-O 3.04Å; A224-G229 PolarHBondContact O-N 3.37Å; Y227-G229 VanDerWaalsContact CE2-N 3.33Å
230W86.2Confident79.5Confident17 Ų1739.7 Ų39.76%0.06422%0.224CC..PPolyproline II helixtrans-89.8136.6172.2-59.587.9000110.9L32 P34 P68 E69 M96 D134 R136L32-W230 PolarHBondContact O-NE1 3.33Å; P34-W230 HydrophobicContact CB-CB 4.32Å; P34-W230 HydrophobicContact CB-CD2 4.05Å; P34-W230 HydrophobicContact CB-CE3 4.26Å; P34-W230 HydrophobicContact CB-CG 4.06Å; P34-W230 HydrophobicContact CG-CD2 4.15Å; P34-W230 HydrophobicContact CG-CE3 4.26Å; P68-W230 VanDerWaalsContact CG-O 3.25Å; P68-W230 WeakPolarHBondContact CG-O 3.48Å; E69-W230 HydrophobicContact CB-CB 4.14Å; E69-W230 HydrophobicContact CB-CG 4.49Å; E69-W230 PolarHBondContact OE2-N 3.1Å; M96-W230 HydrophobicContact CB-CH2 4.19Å; M96-W230 HydrophobicContact CG-CH2 4.32Å; D134-W230 HydrophobicContact CB-CH2 4.09Å; R136-W230 HydrophobicContact CG-CZ2 4.03Å
231L82.4Confident79.1Confident29 Ų2945.1 Ų45.115%0.15225%0.247CC..PPolyproline II helixtrans-78.3155.7174.8-66172.1000111.3E221 A224 L225 A235 A236 L239 L245E221-L231 HydrophobicContact CG-CD2 4.38Å; A224-L231 HydrophobicContact CB-CD2 3.68Å; A224-L231 HydrophobicContact CB-CG 4.38Å; L225-L231 HydrophobicContact CD2-CD1 3.94Å; L225-L231 HydrophobicContact CD2-CG 4.44Å; L225-L231 HydrophobicContact CG-CD1 4.41Å; L231-A235 HydrophobicContact CB-CB 4.13Å; L231-A235 HydrophobicContact CD2-CB 4.13Å; L231-A236 HydrophobicContact CB-CB 4.32Å; L231-L239 HydrophobicContact CD1-CD1 3.42Å; L231-L239 VanDerWaalsContact CD1-CD1 3.42Å; L231-L245 HydrophobicContact CD1-CD2 4.33Å; L231-L245 HydrophobicContact CD2-CD1 4.06Å; L231-L245 HydrophobicContact CD2-CD2 3.75Å
232S80.1Confident78.7Confident21 Ų2145.9 Ų45.915%0.14727%0.268CS..PPolyproline II helixtrans-60.7164161.267.20000111E221 E234 A235 A236E221-S232 WeakPolarHBondContact OE1-CB 3.43Å; E221-S232 PolarHBondContact OE1-N 2.75Å; E221-S232 PolarHBondContact OE1-OG 2.79Å; S232-E234 PolarHBondContact O-N 3.25Å; S232-A235 PolarHBondContact O-N 3.2Å; S232-A235 VanDerWaalsContact OG-CB 3.26Å; S232-A235 WeakPolarHBondContact OG-CB 3.37Å; S232-A235 PolarHBondContact OG-N 3.16Å; S232-A236 WeakPolarHBondContact O-CB 3.47Å; S232-A236 PolarHBondContact O-N 3.04Å
233R77.3Confident78.3Confident180 Ų18049.8 Ų49.868%0.67928%0.281SS*.Hα-helixtrans-63.4-32.4175175.8176.5-180-108.13110.4A237R233-A237 WeakPolarHBondContact O-CB 3.42Å; R233-A237 PolarHBondContact O-N 3.19Å
234E79Confident77.7Confident120 Ų12051.2 Ų51.256%0.56129%0.294SS*.Hα-helixtrans-71.4-45.9-178.6-64.757.6-129.800110.1S232 A237 A238S232-E234 PolarHBondContact O-N 3.25Å; E234-A237 PolarHBondContact O-N 3.46Å; E234-A238 VanDerWaalsContact O-CB 3.31Å; E234-A238 WeakPolarHBondContact O-CB 3.33Å; E234-A238 PolarHBondContact O-N 2.74Å
235A78Confident76.8Confident8 Ų853.1 Ų53.17%0.06630%0.303CS..Hα-helixtrans-70.1-38.3174.800000113.4E221 L231 S232 A238 L239 L245E221-A235 HydrophobicContact CG-CB 3.86Å; E221-A235 WeakPolarHBondContact OE1-CB 3.27Å; L231-A235 HydrophobicContact CB-CB 4.13Å; L231-A235 HydrophobicContact CD2-CB 4.13Å; S232-A235 PolarHBondContact O-N 3.2Å; S232-A235 VanDerWaalsContact OG-CB 3.26Å; S232-A235 WeakPolarHBondContact OG-CB 3.37Å; S232-A235 PolarHBondContact OG-N 3.16Å; A235-A238 PolarHBondContact O-N 2.68Å; A235-L239 PolarHBondContact O-N 2.91Å; A235-L245 HydrophobicContact CB-CD2 3.69Å
236A75.3Confident75.6Confident27 Ų2756.9 Ų56.922%0.22332%0.316CS..Hα-helixtrans-63.7-40.7172.400000111.6I106 L231 S232 A240I106-A236 WeakPolarHBondContact CG2-O 3.33Å; L231-A236 HydrophobicContact CB-CB 4.32Å; S232-A236 WeakPolarHBondContact O-CB 3.47Å; S232-A236 PolarHBondContact O-N 3.04Å; A236-A240 WeakPolarHBondContact O-CB 3.23Å; A236-A240 PolarHBondContact O-N 2.78Å
237A75.6Confident74.1Confident44 Ų4454.7 Ų54.736%0.36431%0.313SS..Hα-helixtrans-68.4-38.1174.200000112.6R233 E234 A240 Q241R233-A237 WeakPolarHBondContact O-CB 3.42Å; R233-A237 PolarHBondContact O-N 3.19Å; E234-A237 PolarHBondContact O-N 3.46Å; A237-A240 PolarHBondContact O-N 3.09Å; A237-Q241 WeakPolarHBondContact O-CG 3.31Å; A237-Q241 PolarHBondContact O-N 2.9Å
238A76.5Confident72Confident24 Ų2461.1 Ų61.120%0.19835%0.354CS..Hα-helixtrans-60.4-49175.300000111.2E234 A235 A240 Q241 G242 M243E234-A238 VanDerWaalsContact O-CB 3.31Å; E234-A238 WeakPolarHBondContact O-CB 3.33Å; E234-A238 PolarHBondContact O-N 2.74Å; A235-A238 PolarHBondContact O-N 2.68Å; A238-A240 VanDerWaalsContact C-N 3.3Å; A238-A240 PolarHBondContact O-N 3.36Å; A238-Q241 CarbonylContact O-C 3.34Å; A238-Q241 WeakPolarHBondContact O-CA 3.14Å; A238-Q241 PolarHBondContact O-N 2.97Å; A238-G242 PolarHBondContact O-N 3.31Å; A238-M243 HydrophobicContact CB-CB 4.09Å; A238-M243 WeakPolarHBondContact O-CB 3.48Å; A238-M243 PolarHBondContact O-N 3.25Å
239L72.6Confident70.2Confident11 Ų1165 Ų656%0.05840%0.395CS..Hα-helixtrans-59.4-38.9173.4-77.1179000112.9I106 M107 L225 L231 A235 Q241 G242 L245I106-L239 HydrophobicContact CG2-CB 3.71Å; M107-L239 HydrophobicContact CE-CD2 3.81Å; M107-L239 HydrophobicContact CG-CD2 4.44Å; L225-L239 HydrophobicContact CD1-CD1 3.74Å; L225-L239 HydrophobicContact CG-CD1 4.43Å; L231-L239 HydrophobicContact CD1-CD1 3.42Å; L231-L239 VanDerWaalsContact CD1-CD1 3.42Å; A235-L239 PolarHBondContact O-N 2.91Å; L239-Q241 PolarHBondContact O-N 3.48Å; L239-G242 PolarHBondContact O-N 2.69Å; L239-L245 HydrophobicContact CD1-CD1 4.25Å; L239-L245 HydrophobicContact CD1-CD2 3.92Å; L239-L245 HydrophobicContact CD1-CG 4.15Å; L239-L245 HydrophobicContact CD2-CD2 4.28Å; L239-L245 HydrophobicContact CD2-CG 3.94Å; L239-L245 HydrophobicContact CG-CD2 3.8Å; L239-L245 HydrophobicContact CG-CG 4.01Å
240A70.1Confident68Low58 Ų5867.9 Ų67.948%0.47941%0.414SS..Hα-helixtrans-67.2-19.717600000113.8I106 A236 A237 A238I106-A240 HydrophobicContact CG2-CB 4.12Å; I106-A240 WeakPolarHBondContact O-CA 3.44Å; A236-A240 WeakPolarHBondContact O-CB 3.23Å; A236-A240 PolarHBondContact O-N 2.78Å; A237-A240 PolarHBondContact O-N 3.09Å; A238-A240 VanDerWaalsContact C-N 3.3Å; A238-A240 PolarHBondContact O-N 3.36Å
241Q70.7Confident65.9Low145 Ų14574.7 Ų74.768%0.67845%0.449SS*.THydrogen-bonded Turntrans-94.76.5171-66172.75.700112.6A237 A238 L239 M243A237-Q241 WeakPolarHBondContact O-CG 3.31Å; A237-Q241 PolarHBondContact O-N 2.9Å; A238-Q241 CarbonylContact O-C 3.34Å; A238-Q241 WeakPolarHBondContact O-CA 3.14Å; A238-Q241 PolarHBondContact O-N 2.97Å; L239-Q241 PolarHBondContact O-N 3.48Å; Q241-M243 HydrophobicContact CB-CG 4.28Å; Q241-M243 PolarHBondContact O-N 2.71Å
242G68.8Low64.5Low67 Ų6778.5 Ų78.569%0.69148%0.475SS*.THydrogen-bonded Turntrans72.110.6-177.200000114.7A238 L239A238-G242 PolarHBondContact O-N 3.31Å; L239-G242 PolarHBondContact O-N 2.69Å
243M66.5Low63.1Low109 Ų10983 Ų8354%0.53750%0.504SS..PPolyproline II helixtrans-79142.6177.4-61.9-70.5175.700110.5A238 Q241A238-M243 HydrophobicContact CB-CB 4.09Å; A238-M243 WeakPolarHBondContact O-CB 3.48Å; A238-M243 PolarHBondContact O-N 3.25Å; Q241-M243 HydrophobicContact CB-CG 4.28Å; Q241-M243 PolarHBondContact O-N 2.71Å
244P68.2Low61.7Low99 Ų9982.5 Ų82.564%0.64351%0.511SS*.PPolyproline II helixtrans-66.4146.1176.928.4-35000111.5R246P244-R246 PolarHBondContact O-N 3.33Å
245L64Low60.1Low39 Ų3980.1 Ų80.120%0.20452%0.519CS..PPolyproline II helixtrans-59.4122168.9-70.1173.6000109.4L225 L231 A235 L239L225-L245 HydrophobicContact CD1-CD1 4Å; L225-L245 HydrophobicContact CG-CD1 4.04Å; L231-L245 HydrophobicContact CD1-CD2 4.33Å; L231-L245 HydrophobicContact CD2-CD1 4.06Å; L231-L245 HydrophobicContact CD2-CD2 3.75Å; A235-L245 HydrophobicContact CB-CD2 3.69Å; L239-L245 HydrophobicContact CD1-CD1 4.25Å; L239-L245 HydrophobicContact CD1-CD2 3.92Å; L239-L245 HydrophobicContact CD1-CG 4.15Å; L239-L245 HydrophobicContact CD2-CD2 4.28Å; L239-L245 HydrophobicContact CD2-CG 3.94Å; L239-L245 HydrophobicContact CG-CD2 3.8Å; L239-L245 HydrophobicContact CG-CG 4.01Å
246R55.3Low58.5Low110 Ų11090.3 Ų90.342%0.41556%0.557SS.*PPolyproline II helixtrans-88116.5-177-64.8-161.492167.84.5109.9P244 C250 M251P244-R246 PolarHBondContact O-N 3.33Å; R246-C250 VanDerWaalsContact CB-SG 3.58Å; R246-C250 PolarHBondContact NE-O 3.19Å; R246-C250 PolarHBondContact NE-SG 2.75Å; R246-C250 PolarHBondContact NH1-O 2.89Å; R246-C250 VanDerWaalsContact NH2-C 3.34Å; R246-C250 PolarHBondContact NH2-O 3.23Å; R246-M251 VanDerWaalsContact NH1-C 3.29Å; R246-M251 PolarHBondContact NH1-O 3.08Å; R246-M251 PolarHBondContact NH2-O 3.46Å
247G51.5Low57.3Low38 Ų3895.6 Ų95.639%0.39258%0.582SS.*PPolyproline II helixtrans-62.1153.6164.400000111.1G249 C250G247-G249 PolarHBondContact O-N 3.44Å; G247-C250 PolarHBondContact O-SG 2.79Å
248P44.6Very low55.9Low136 Ų136101.4 Ų101.488%0.88360%0.604SS**THydrogen-bonded Turntrans-52.3128.9177-26.534.8000112
249G45.2Very low54.3Low83 Ų83103.3 Ų103.386%0.85663%0.626SS**THydrogen-bonded Turntrans108.5-0.5172.900000117.3G247G247-G249 PolarHBondContact O-N 3.44Å
250C40.8Very low52.7Low60 Ų60105.4 Ų105.441%0.40565%0.65SS.*PPolyproline II helixtrans-100.4120.8176.356.40000113.4R246 G247R246-C250 VanDerWaalsContact CB-SG 3.58Å; R246-C250 PolarHBondContact NE-O 3.19Å; R246-C250 PolarHBondContact NE-SG 2.75Å; R246-C250 PolarHBondContact NH1-O 2.89Å; R246-C250 VanDerWaalsContact NH2-C 3.34Å; R246-C250 PolarHBondContact NH2-O 3.23Å; G247-C250 PolarHBondContact O-SG 2.79Å
251M41.6Very low51.4Low161 Ų161109.4 Ų109.479%0.79367%0.671SS**PPolyproline II helixtrans-65.6138.1-164.4-62.2177.2175.900114.4R246R246-M251 VanDerWaalsContact NH1-C 3.29Å; R246-M251 PolarHBondContact NH1-O 3.08Å; R246-M251 PolarHBondContact NH2-O 3.46Å
252P52.6Low50.4Low109 Ų109111.4 Ų111.471%0.70867%0.674SS**PPolyproline II helixtrans-54.1143.5177.924.6-34.7000111.5M254P252-M254 PolarHBondContact O-N 3.01Å
253P51.3Low49.5Very low116 Ų116116.2 Ų116.275%0.75368%0.68SS**PPolyproline II helixtrans-60.9116.5179.325.9-33.2000109.5G255P253-G255 PolarHBondContact O-N 3Å
254M48.4Very low48.5Very low168 Ų168120.8 Ų120.883%0.82870%0.703SS**PPolyproline II helixtrans-53.1127.2170.8-98.3-68-157.200108.9P252 Y256P252-M254 PolarHBondContact O-N 3.01Å; M254-Y256 PolarHBondContact O-N 2.65Å
255G45Very low47.4Very low71 Ų71119.1 Ų119.173%0.73270%0.704SS**  trans-69.593-174.900000111.6P253 N257P253-G255 PolarHBondContact O-N 3Å; G255-N257 PolarHBondContact O-N 3.11Å
256Y44.4Very low46.6Very low221 Ų221121.2 Ų121.287%0.86774%0.735SS**  trans-70.174.3168.4-86.8-86000110.7M254M254-Y256 PolarHBondContact O-N 2.65Å
257N50Low46.1Very low139 Ų139119.8 Ų119.874%0.74375%0.754SS**  trans-101.9145.5154.9-172.215.2000107.7G255G255-N257 PolarHBondContact O-N 3.11Å
258M46.9Very low45.8Very low165 Ų165125.7 Ų125.781%0.81378%0.777SS**  trans65.4140.6-157.9-47.6-62.6-172.600113.9
259G42.5Very low46Very low65 Ų65128 Ų12867%0.6778%0.778SS**  cis161.3104.5-10.700000114.1
260G37.9Very low46.1Very low55 Ų55127.5 Ų127.557%0.56777%0.773SS**  trans80.1118.4163.700000116.5Y262G260-Y262 PolarHBondContact O-N 2.84Å
261P43.1Very low46.8Very low141 Ų141131 Ų13192%0.91680%0.795SS**  trans-84.9105.4168.432.3-29.8000110.5
262Y51.1Low47.2Very low187 Ų187132.8 Ų132.873%0.73380%0.804SS**  trans-148.6145.9173.656.9-90.2000113.7G260G260-Y262 PolarHBondContact O-N 2.84Å
263M48.9Very low46.9Very low169 Ų169131.4 Ų131.483%0.83381%0.809SS**  trans50.581.7164.8-49.9-47-179.700118.5G265M263-G265 PolarHBondContact O-N 3.48Å; M263-G265 VanDerWaalsContact O-N 3.08Å
264M46.3Very low46.6Very low204 Ų204129.7 Ų129.7100%1.00581%0.813SS**  trans-72.982141.7-92.3-72.2-17600108.7
265G44.1Very low46.5Very low65 Ų65125.2 Ų125.267%0.6781%0.809SS**  trans-84.6133171.800000111.1M263M263-G265 PolarHBondContact O-N 3.48Å; M263-G265 VanDerWaalsContact O-N 3.08Å
266G47.3Very low46.7Very low83 Ų83131.6 Ų131.686%0.85682%0.823SS**  trans-94.5158.3174.200000112.9
267G44.5Very low46.9Very low79 Ų79124.5 Ų124.581%0.81482%0.817SS**  trans94.4134.2-168.800000110.3
268D45.3Very low47.4Very low163 Ų163123.4 Ų123.487%0.87282%0.817SS**  cis-139.6170.732.2-170.5-147.3000113.9
269M49Very low47.5Very low184 Ų184124.6 Ų124.691%0.90682%0.823SS**  trans-103.9115.1177-71.4-175.317300112.4
270G47.6Very low47.6Very low72 Ų72125.5 Ų125.574%0.74283%0.833SS**  trans-125135.7172.700000112.2
271P55.9Low47.9Very low135 Ų135126.7 Ų126.788%0.87785%0.845SS**  trans-97.9174.6-158.238.1-38.4000117.1
272M49.9Very low48Very low197 Ų197123.7 Ų123.797%0.9784%0.839SS**  trans-67.6150.9-174.4-64.9176.2164.900116.7
273G45.6Very low47.9Very low80 Ų80124.4 Ų124.483%0.82585%0.852SS**  trans180136.115000000110.1
274G45.1Very low47.7Very low80 Ų80120.1 Ų120.183%0.82585%0.851SS**  cis-174.9170-5.900000110.6
275G45.4Very low48Very low74 Ų74116.7 Ų116.776%0.76384%0.844SS**  trans94.998.2-176.900000112.3
276M50.4Low48.1Very low205 Ų205117.6 Ų117.6100%1.0185%0.853SS**  67.899.160.2-64.9-175.7135.300114.8
277G48Very low47.9Very low72 Ų72117.4 Ų117.474%0.74285%0.851SS**  trans-164.8109.4166.700000107.8
278P60.2Low48Very low116 Ų116117.1 Ų117.175%0.75385%0.848SS**  trans-105.5-178.4-158.239.8-37.5000115.8
279M48.4Very low48.3Very low191 Ų191119.1 Ų119.194%0.94186%0.855SS**  trans76.5133.3-179.8-49.2-177.7-178.200114.1
280G45Very low48.2Very low84 Ų84114.1 Ų114.187%0.86685%0.85SS**  cis147.8148.5-1.800000109.6
281G45.7Very low48.7Very low80 Ų80116.1 Ų116.183%0.82585%0.851SS**  cis-178.2166.7-4.700000109.4
282G45Very low48.5Very low77 Ų77119.2 Ų119.279%0.79486%0.855SS**  trans88.3102.8-175.500000113.1
283M48.8Very low48.2Very low203 Ų203113.8 Ų113.8100%185%0.85SS**  cis82.3107.215.7-145.2174.1-174.900114.3
284G44.7Very low48.3Very low79 Ų79114 Ų11481%0.81485%0.853SS**  trans168.685.117400000115.1
285P52.7Low48.4Very low132 Ų132113.9 Ų113.986%0.85785%0.851SS**  trans-109.2155.5-179.238.6-31.1000115
286G45.2Very low48.8Very low83 Ų83116.2 Ų116.286%0.85685%0.853SS**  trans147.1150.9170.700000112
287G44Very low49.1Very low80 Ų80113.6 Ų113.683%0.82585%0.848SS**  cis177.9167.1-4.200000111.4
288G45.3Very low49.1Very low73 Ų73116.4 Ų116.475%0.75385%0.854SS**  trans90.7117.8-177.500000112.5
289M51.5Low48.3Very low204 Ų204115 Ų115100%1.00586%0.86SS**  cis76.2118.146-63.6-174.614900114.7
290G47.5Very low48.2Very low79 Ų79109.8 Ų109.881%0.81486%0.855SS**  trans168.276170.500000114.8
291P59Low48.1Very low115 Ų115118.2 Ų118.275%0.74786%0.861SS**  trans-97.6149172.936.9-31.2000112.6
292M51.7Low48.1Very low199 Ų199118.2 Ų118.298%0.9886%0.861SS**  trans-178.1150.1147.7-107.3176-161.400113.5
293G44Very low48.1Very low83 Ų83126.7 Ų126.786%0.85687%0.869SS**  trans79.6125.1163.100000116.8
294G45.8Very low47.9Very low86 Ų86120.8 Ų120.889%0.88786%0.86SS**  cis125.4115.7-10.300000114
295G48.8Very low48.3Very low77 Ų77123.3 Ų123.379%0.79486%0.862SS**  trans134.7103.5167.400000116.2
296P53.1Low47.9Very low122 Ų122128.7 Ų128.779%0.79287%0.865SS**  trans-104.5152.7170.437.6-30.8000113.1
297V56.2Low48.1Very low151 Ų151130.6 Ų130.692%0.91587%0.865SS**  trans-147.7121.8167.4-990000111.7
298P49.7Very low48.1Very low131 Ų131130.5 Ų130.585%0.85186%0.864SS**  trans-116.8157.4175.539.2-30.3000114.3
299G42.6Very low48Very low86 Ų86130.9 Ų130.989%0.88787%0.868SS**  trans108.7135.7156.200000116.7
300G45.9Very low47.7Very low82 Ų82124.6 Ų124.685%0.84586%0.856SS**  trans17266.3179.400000114.7
301R43.8Very low47.8Very low261 Ų261129 Ų12999%0.98586%0.857SS**  trans-89.4124.3171.1-81.4-178.6170.4173.3-2.4110.7
302G44.9Very low47.4Very low80 Ų80132.3 Ų132.383%0.82587%0.865SS**  trans-120.5156.1169.300000111.9
303R45.3Very low46.8Very low255 Ų255126.6 Ų126.696%0.96286%0.857SS**  trans-142.1108.7-160.6-148.4-174.3-170.9-164.53.4114.9
304G43.8Very low46.7Very low78 Ų78126 Ų12680%0.80485%0.851SS**  trans65.3-166.515800000117.8
305P54.5Low46.6Very low133 Ų133130.2 Ų130.286%0.86485%0.853SS**  cis-130.9-173.3-3.142.4-26.3000115.7
306R44.2Very low46.4Very low245 Ų245130.9 Ų130.993%0.92585%0.851SS**  trans-60.4148.5178.1-67.6165.8160171.5-8.6115.8
307S48.1Very low46.5Very low122 Ų122130.4 Ų130.485%0.85385%0.848SS**  -163.6131.8120-157.80000107.6
308G44.1Very low46Very low78 Ų78131 Ų13180%0.80485%0.845SS**  97138.578.200000109.9
309G44.8Very low45.9Very low81 Ų81128.4 Ų128.484%0.83583%0.834SS**  cis176.6153.6-7.900000111.8
310G43.8Very low46.1Very low72 Ų72134 Ų13474%0.74284%0.837SS**  trans79169.5171.400000117.5
311M50.6Low45.9Very low172 Ų172132.8 Ų132.885%0.84783%0.826SS**  cis-178.8133.7-41.6-115.7168.7-17600109.4
312M49.6Very low46.2Very low185 Ų185129 Ų12991%0.91182%0.819SS**  trans62.3158.7169-53179.2-175.500116.3
313G40.2Very low46.2Very low79 Ų79136.8 Ų136.881%0.81482%0.823SS**  cis148.1129.4-14.900000113.7
314G40.4Very low46Very low71 Ų71128 Ų12873%0.73281%0.812SS**  trans110.4123.2159.400000118.2
315N43.8Very low46.3Very low174 Ų174132.1 Ų132.193%0.9381%0.813SS**  trans58.1140.8147.1-63.31.7000123.4
316A44.3Very low46Very low91 Ų91134.5 Ų134.575%0.75282%0.815SS**  trans-116.6-165.1157.600000107
317P56.5Low46Very low111 Ų111126.7 Ų126.772%0.72181%0.81SS**  cis-129.2-139.6-9.140.4-20.1000111.3
318L45.1Very low46.3Very low165 Ų165126.4 Ų126.486%0.86481%0.808SS**  trans78.9152.8176.9-53.4167000115.3
319A47.9Very low46.5Very low75 Ų75128.5 Ų128.562%0.6281%0.811SS**  cis-167.3156.9-2900000109.3
320Q46.4Very low46.9Very low203 Ų203128 Ų12895%0.94981%0.805SS**  trans62.7157.6172.9-60.4172.7-15.800116
321G41.9Very low47.6Very low58 Ų58131 Ų13160%0.59881%0.812SS**  cis147.877.2-13.200000115.6
322Q50Low48Very low181 Ų181126.7 Ų126.785%0.84680%0.803SS**  trans-168.4123.8158.2-106.7151.996.500109.5
323R45.1Very low48.4Very low243 Ų243124 Ų12492%0.91780%0.799SS**  64.9123.994.4-75.1-168.7171.6-170.5-2.3115.2
324G40.4Very low49.8Very low71 Ų71127 Ų12773%0.73280%0.802SS**  trans14182.7143.300000119.4
325M50.5Low51.5Low164 Ų164129.2 Ų129.281%0.80880%0.803SS**  trans55.8131.3135.4-64.5-172.8173.900123.2
326M48.7Very low52.6Low184 Ų184126.5 Ų126.591%0.90680%0.795SS**  trans68.9140147.8-60.8166.7-169.500119
327G44.4Very low53.6Low80 Ų80128.6 Ų128.683%0.82580%0.801SS**  trans145.882.6170.900000115.7
328S53.9Low53.6Low116 Ų116128.1 Ų128.181%0.81181%0.807SS**  trans-51.9133.617549.50000117.2
329S48.4Very low53.7Low123 Ų123124.1 Ų124.186%0.8681%0.805SS**  trans179.7151.9130.535.80000112.7
330G53.5Low53.7Low70 Ų70132.8 Ų132.872%0.72282%0.822SS**  trans-114.2-149.6167.500000110.3
331P57.8Low53.6Low135 Ų135130.6 Ų130.688%0.87782%0.817SS**  cis-116.3-148.4-3.744.5-30.4000110
332A59.4Low53.7Low82 Ų82133.1 Ų133.168%0.67883%0.825SS**  cis-154.1155.9-4.300000110.1
333P57.5Low53.7Low127 Ų127129.6 Ų129.683%0.82582%0.82SS**PPolyproline II helixtrans-93155.6165.936.4-32.4000113
334V69.6Low53.9Low142 Ų142127.7 Ų127.786%0.86182%0.824SS**PPolyproline II helixtrans-102.2140.6178.6-69.60000113
335P75.7Confident54.2Low118 Ų118127.6 Ų127.677%0.76682%0.824SS**PPolyproline II helixtrans-94.8156.5175.636.4-34.2000113.5
336P67.5Low54.8Low118 Ų118125.9 Ų125.977%0.76683%0.825SS**PPolyproline II helixtrans-83.4159.9175.134.7-35.5000113.2
337P64.8Low55Low135 Ų135123 Ų12388%0.87782%0.82SS**PPolyproline II helixtrans-79.3143.4-178.532-35.2000113.4
338A57.5Low54.9Low101 Ų101123.1 Ų123.184%0.83582%0.821SS**  trans-104.6150.917200000111.6
339G46Very low54.5Low81 Ų81121.1 Ų121.184%0.83582%0.818SS**  trans-74.9156.6-177.300000114.6
340R49.5Very low54.3Low257 Ų257125.5 Ų125.597%0.9782%0.818SS**  trans-106.8125.5170.3-93-174.6165.6-152.9-2.6110.7
341N43.7Very low53.8Low157 Ų157127.1 Ų127.184%0.8482%0.818SS**  trans-151.8110.3157.6-172.211.3000110.2
342S44.7Very low53.2Low110 Ų110126 Ų12677%0.76981%0.813SS**  trans-164.8102.9172.1-74.50000106.3
343S48.2Very low52.8Low107 Ų107127.7 Ų127.775%0.74882%0.82SS**  7695.382.8670000114.9
344M50.2Low52.4Low203 Ų203126.5 Ų126.5100%182%0.821SS**  trans-142.1152.1157.5-87.1-174.8171.600109.1
345G47Very low51.3Low70 Ų70127.7 Ų127.772%0.72282%0.823SS**  trans-107.4-179.9-157.900000118
346P62Low49.8Very low127 Ų127125.1 Ų125.183%0.82582%0.818SS**  trans-88.2-167.7-178.643.2-40.3000110.8
347P53.4Low48.7Very low124 Ų124122.7 Ų122.781%0.80581%0.814SS**  cis-147.3176.714.344.6-24.9000119.7
348G43.3Very low47.9Very low82 Ų82127.7 Ų127.785%0.84582%0.817SS**  trans93.2120.7138.100000118.4
349G44Very low47.3Very low74 Ų74126.6 Ų126.676%0.76382%0.816SS**  trans-173.9149.2171.300000111
350Y44.4Very low47.2Very low215 Ų215126.6 Ų126.684%0.84382%0.816SS**  trans-137.8-179-169.450.8-102.2000111.8
351S43.5Very low47Very low105 Ų105124.3 Ų124.373%0.73482%0.816SS**  trans72153.4-175.475.90000115.6
352S45.6Very low46.9Very low111 Ų111120.4 Ų120.478%0.77681%0.813SS**  cis164.2143.1-37.6-92.80000107.9
353S51.2Low46.8Very low118 Ų118118.9 Ų118.983%0.82582%0.815SS**  trans110.2138.1155.1-43.90000118.1
354A48.1Very low46.9Very low102 Ų102124.3 Ų124.384%0.84382%0.821SS**  trans65.7148.5155.800000119.5
355D48.3Very low46.6Very low167 Ų167123 Ų12389%0.89382%0.817SS**  cis-164.2163-23.6-17637.3000109.9
356G42.9Very low46.5Very low64 Ų64123.5 Ų123.566%0.6682%0.823SS**  trans84.2140.717700000114.5
357G44Very low45.7Very low66 Ų66123.6 Ų123.668%0.6883%0.827SS**  cis96.2121.217.700000109.7
358Y48.2Very low45.1Very low240 Ų240121.4 Ų121.494%0.94183%0.827SS**  cis-137.3174.318.9-60.6-103.6000108.5
359G45.4Very low45.1Very low79 Ų79120.1 Ų120.181%0.81481%0.813SS**  cis121.796.88.200000111.3
360G43.1Very low45.6Very low81 Ų81126 Ų12684%0.83582%0.818SS**  trans-174.5141.4178.600000113.1
361Q46.5Very low45.8Very low208 Ų208121.9 Ų121.997%0.97281%0.811SS**  trans-125159.4-173.2-68.1179-12.400112.3
362G41.1Very low45.9Very low76 Ų76124 Ų12478%0.78481%0.814SS**  trans148119.4170.500000111.6
363G41.9Very low45.8Very low78 Ų78122 Ų12280%0.80481%0.81SS**  cis11383.3-1.200000112.5
364Y50.4Low45.5Very low221 Ų221123 Ų12387%0.86781%0.812SS**  trans-145.5103.8166.656.7-90.3000111.2
365D44.6Very low45.2Very low174 Ų174129.3 Ų129.393%0.9382%0.815SS**  trans-89.9132.8157.5-76.8-67.4000108.2
366G43.8Very low44.9Very low82 Ų82124.3 Ų124.385%0.84580%0.803SS**  trans-126.6100.2-174.800000111.6
367S45.3Very low44.7Very low129 Ų129124.8 Ų124.890%0.90281%0.808SS**  trans-101146.2-176.2580000113.2
368G42.5Very low44.9Very low78 Ų78129.6 Ų129.680%0.80482%0.816SS**  trans125.1144.1175.400000112.6
369G43.1Very low44.6Very low54 Ų54124.9 Ų124.956%0.55781%0.807SS**  cis146.7156.1-0.800000110.8
370F53.8Low44.7Very low198 Ų198129.9 Ų129.987%0.86881%0.81SS**  trans68.9148170.7-37.2-71.4000114.8
371D49.3Very low44.7Very low129 Ų129132.6 Ų132.669%0.6981%0.81SS**  cis-154.6-169.4-16.7-136.5-76.8000112.8
372N45.9Very low44.6Very low150 Ų150126.3 Ų126.380%0.80280%0.801SS**  trans-78.9173.4-179.3-64.1-93.5000114.6
373G42.8Very low44.7Very low68 Ų68132.6 Ų132.670%0.70181%0.81SS**  trans123.1103.8164.500000112.7
374V44.4Very low44.7Very low140 Ų140132.5 Ų132.585%0.84881%0.809SS**  cis71.487.145.8-169.20000114.1
375Y42.3Very low44.2Very low233 Ų233125.7 Ų125.791%0.91481%0.806SS**  trans-144.8132.2149-109.1-106.4000104.2
376G40.9Very low44.3Very low62 Ų62127.3 Ų127.364%0.63981%0.805SS**  cis85.485.122.100000108.6
377G40.4Very low44.3Very low74 Ų74129 Ų12976%0.76380%0.804SS**  cis93.7109.643.300000108.4
378I47.7Very low44.5Very low168 Ų168126.4 Ų126.486%0.86280%0.798SS**  trans-166.4128.5169.5-107.1156.3000108.8
379D42.2Very low45Very low140 Ų140128.4 Ų128.475%0.74980%0.797SS**  trans-71.5154.3165.1-65.8-97.1000111
380Q46.3Very low45Very low185 Ų185129.1 Ų129.186%0.86480%0.804SS**  -176.7146.6110.3-100.7162.165.700115.2
381T44.1Very low44.7Very low137 Ų137130.9 Ų130.984%0.8481%0.807SS**  trans-60.5137.1156.550.10000111.1
382G43.3Very low44.5Very low77 Ų77128.9 Ų128.979%0.79482%0.816SS**  trans-163.1126.4173.100000114
383Q43.6Very low44.4Very low207 Ų207125.7 Ų125.797%0.96782%0.819SS**  trans-84.8148.6162.2-61.2174.24.700108.9
384G41.5Very low44.6Very low76 Ų76128.4 Ų128.478%0.78483%0.827SS**  trans163.4103.6170.500000113.3
385G40.6Very low44.6Very low78 Ų78125.2 Ų125.280%0.80482%0.823SS**  trans-85.9143.6163.600000110.2
386F47Very low44.9Very low208 Ų208121 Ų12191%0.91282%0.816SS**  trans-130.8133.1167.8-108.3-86.3000111.2
387S44.5Very low45.3Very low117 Ų117126.2 Ų126.282%0.81883%0.826SS**  trans-91.4143.7177.445.90000111.2
388G47.8Very low45.9Very low76 Ų76127.7 Ų127.778%0.78483%0.831SS**  trans-149.7113.9174.700000110.3
389P53.5Low46Very low120 Ų120125.9 Ų125.978%0.77983%0.83SS**  trans-104.9152.4-16837.6-34.1000115.3
390G44Very low46Very low69 Ų69123.3 Ų123.371%0.71184%0.837SS**  81.694.1122.800000120.2
391Y47.8Very low45.9Very low235 Ų235117 Ų11792%0.92282%0.821SS**  trans-136.6133.7144.3-38.2-83.9000107.5
392G43.1Very low46.1Very low86 Ų86122 Ų12289%0.88783%0.826SS**  cis124.374.30.800000111.6
393G44.1Very low46.1Very low83 Ų83121.4 Ų121.486%0.85682%0.821SS**  trans-173.490.4-176.600000113.9
394S47.3Very low46.4Very low125 Ų125117.6 Ų117.687%0.87482%0.817SS**  trans-122.2131.8-179.3560000112.1
395G44.4Very low46.8Very low73 Ų73119.3 Ų119.375%0.75382%0.817SS**  trans171.9114.1163.500000110.7
396N48.6Very low47.1Very low144 Ų144118.4 Ų118.477%0.7781%0.808SS**  100.4102.564-119.423.7000112.8
397M50.2Low47.1Very low172 Ų172120.1 Ų120.185%0.84781%0.81SS**  trans37.9116.1136.6-53.7-178-17100120.5
398A51.9Low47.1Very low106 Ų106118.1 Ų118.188%0.87681%0.808SS**  trans-154120.9148.100000111.3
399P50.5Low46.9Very low129 Ų129118.4 Ų118.484%0.83881%0.811SS**  trans-117148.717037.2-27.4000113.8
400G42.7Very low46.7Very low87 Ų87117.5 Ų117.590%0.89781%0.807SS**  trans93.2150.7179.600000113.4
401G43.1Very low46.9Very low51 Ų51121.8 Ų121.853%0.52681%0.809SS.*  cis-179.4-176.9-3.200000110.7
402Y49.2Very low46.7Very low242 Ų242122.4 Ų122.495%0.94981%0.81SS**  trans55.7143.6173.365.5-96.8000118.5
403G42.9Very low46.7Very low66 Ų66121.8 Ų121.868%0.6880%0.803SS**  cis171.2161-900000112.7
404S50.5Low46.8Very low126 Ų126123.8 Ų123.888%0.88180%0.804SS**  trans65154.2172.7-70.60000117.8
405S49.9Very low46.6Very low112 Ų112121 Ų12178%0.78380%0.795SS**  cis-170.9156.9-14.3470000108.5
406G45.4Very low46.8Very low60 Ų60124.8 Ų124.862%0.61980%0.798SS**  cis169.8-174.7-0.200000111.5
407Y48.2Very low46.8Very low243 Ų243126.6 Ų126.695%0.95380%0.804SS**  trans65.1138.1171.8-54.5-86.4000117.8
408G43.3Very low46.6Very low76 Ų76123.5 Ų123.578%0.78481%0.806SS**  cis-165.4151.9-9.500000107.6
409G43.8Very low46Very low82 Ų82122.5 Ų122.585%0.84581%0.806SS**  77.9124.960.700000111.4
410S49.4Very low45.6Very low100 Ų100120.3 Ų120.370%0.69981%0.807SS**  cis-164.1177.9-8.847.20000107.5
411Q48.2Very low45.7Very low160 Ų160124.9 Ų124.975%0.74881%0.805SS**  cis-123.7-173.610-97.290.9-30.500109.9
412R43.4Very low45.9Very low248 Ų248128.1 Ų128.194%0.93682%0.819SS**  cis87.9119.819.7-83.3-165.8-179.8-141.40.2119.3
413G43.5Very low45.7Very low72 Ų72120.4 Ų120.474%0.74281%0.806SS**  trans133.3141.6163.300000114.7
414S46.9Very low45.8Very low125 Ų125122.4 Ų122.487%0.87481%0.809SS**  -174.7125.8-63.7-88.60000110
415G43.4Very low45.5Very low68 Ų68128.1 Ų128.170%0.70181%0.811SS**  trans75170.3169.100000116.9
416D47.1Very low44.9Very low152 Ų152126.7 Ų126.781%0.81382%0.815SS**  cis-168.3173.3-19.1-128.4-55.9000112.4
417M49.3Very low44.8Very low181 Ų181127.7 Ų127.789%0.89282%0.824SS**  trans72.7114.8163.3-51.5-150-178.600122.8
418A45.5Very low44.5Very low107 Ų107122.5 Ų122.588%0.88482%0.818SS**  trans-46.4157165.500000121.5
419G40.6Very low44.6Very low85 Ų85130.2 Ų130.288%0.87683%0.826SS**  106.4141.5125.100000119.1
420G42.2Very low44.4Very low83 Ų83129.1 Ų129.186%0.85681%0.814SS**  trans154.699.7168.100000116.3
421Q44.4Very low44.1Very low184 Ų184127.5 Ų127.586%0.8681%0.813SS**  trans-71.3174.6-174.2-54.6168.715.100116.1
422S46.6Very low44Very low118 Ų118130.4 Ų130.483%0.82582%0.819SS**  trans84.7155.9152.284.30000119.3
423A45.7Very low43.8Very low81 Ų81122.5 Ų122.567%0.66981%0.814SS**  cis-170.2147.6-30.700000113.6
424S44.9Very low43.9Very low107 Ų107125.3 Ų125.375%0.74882%0.822SS**  trans74.2156.3144.280.30000122.1
425R42.8Very low43.8Very low246 Ų246128.4 Ų128.493%0.92883%0.826SS**  trans69.5139.1172.6-56.9179175-168.7-3115.9
426G39.2Very low43.7Very low83 Ų83128.9 Ų128.986%0.85683%0.83SS**  cis137.9122.4-7.900000112.6
427G43.4Very low43.4Very low80 Ų80127.9 Ų127.983%0.82584%0.835SS**  trans-173.7124.7177.100000113
428T40.3Very low42.9Very low134 Ų134122.3 Ų122.382%0.82282%0.824SS**  trans-133.5122.6-174.3-55.20000110.7
429Y45.1Very low42.6Very low239 Ų239126.6 Ų126.694%0.93783%0.826SS**  trans-167.8146.4158.2-93.2-75.5000106.5
430G41.1Very low42.9Very low58 Ų58130.8 Ų130.860%0.59882%0.822SS**  cis130.793.61.300000110.8
431G42.2Very low43.2Very low66 Ų66133.5 Ų133.568%0.6882%0.822SS**  trans-169.661.6-167.200000117.8
432Y47.4Very low42.9Very low222 Ų222128.1 Ų128.187%0.87182%0.816SS**  trans0.9109.7151.729.1-97.2000120.7
433G38.5Very low42.6Very low82 Ų82126.4 Ų126.485%0.84582%0.817SS**  62.2130114.600000123.4
434S46.3Very low42.4Very low130 Ų130132.5 Ų132.591%0.90983%0.828SS**  -161.3164.4123.1-162.80000111.6
435M44.3Very low42.2Very low191 Ų191132.3 Ų132.394%0.94183%0.833SS**  trans-101.8154.6179.4-64172168.200111.6
436G40Very low42.5Very low78 Ų78125.9 Ų125.980%0.80483%0.826SS**  trans177122.2168.900000115.4
437S42.3Very low42.6Very low130 Ų130130.2 Ų130.291%0.90982%0.824SS**  trans-56.5158.8161.447.50000112.5
438G38.7Very low42.6Very low64 Ų64137.9 Ų137.966%0.6683%0.828SS**  cis156.9172.7500000109.7
439E39.3Very low42.8Very low198 Ų198142.3 Ų142.393%0.92583%0.831SS**  trans61.4161.9175.8-64.7-177.995.800116.9
440H45.3Very low42.9Very low172 Ų172134.4 Ų134.480%0.79682%0.822SS**  cis-163.2-179.7-44.7-155.358.5000107.7
441V50Low43.3Very low140 Ų140135 Ų13585%0.84883%0.829SS**  trans71.7143.6169.6-167.60000117.3
442G38.5Very low43.8Very low72 Ų72143.7 Ų143.774%0.74284%0.841SS**  trans139.926.9156.100000120.1
443G38.5Very low43.5Very low81 Ų81142.2 Ų142.284%0.83586%0.863SS**  trans-67.9146.2-177.200000115.7
444K43.3Very low43.7Very low209 Ų209145.3 Ų145.391%0.90986%0.864SS**  trans-132113.4160.2-78.7-173176.51790109.9
445A40.6Very low43.6Very low104 Ų104146.1 Ų146.186%0.8686%0.862SS**PPolyproline II helixtrans-97.7118.7174.300000110.1
446S48.3Very low43.6Very low110 Ų110143.6 Ų143.677%0.76986%0.858SS**PPolyproline II helixtrans-85.2119.1176.6-60.20000110.8
447Q41.4Very low43.8Very low174 Ų174147.4 Ų147.481%0.81386%0.861SS**PPolyproline II helixtrans-68142.8174.8-64.8174-13.800111.3
448W44.2Very low43.9Very low241 Ų241148.5 Ų148.591%0.91386%0.858SS**  trans-133.393.2161.4-81.493.6000109.3
449Y42.8Very low44.2Very low227 Ų227154.1 Ų154.189%0.8987%0.871SS**  trans-79.6139.6161.2-107.3-96000108.9
450G48.8Very low44.5Very low73 Ų73151 Ų15175%0.75387%0.867SS**  trans-15270.6-17800000111.3
451G49.2Very low44.5Very low71 Ų71149.4 Ų149.473%0.73287%0.873SS**  trans-96.5135.5165.400000109.7
452W51.9Low44Very low249 Ų249150.2 Ų150.294%0.94388%0.875SS**  trans-126.4145170.7-83.752.9000108.2
453S40.8Very low44.5Very low191 Ų191157.3 Ų157.3100%1.33689%0.887SS**  trans-96.30164.8-56.40000110.3

Retrieved 453 of 453 residues in 98 ms (Link to these results)