A0A075BJK0_DROME Loading...

RNA helicase

AlphaFold DB , UniProt , Accession A0A075BJK0, Species DROME (Drosophila melanogaster, Fruit fly), Gene fs(1)Yb, Length 1,046 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
1M30.5Very low48.6Very low237 Ų237116.5 Ų116.5100%1.16765%0.649SS**  0111.10-99.2174.7163.100106.6
2E20.6Very low50.8Low177 Ų177116.3 Ų116.383%0.82764%0.636SS**  trans-66152.5166.7-74.2-178.715700109.7I4E2-I4 PolarHBondContact O-N 3.11Å; E2-I4 VanDerWaalsContact O-N 3.16Å
3P24.8Very low53.2Low129 Ų129117.9 Ų117.984%0.83864%0.64SS**  trans-64.911617727.2-31.9000109.4G5P3-G5 PolarHBondContact O-N 3.43Å
4I31.8Very low55Low134 Ų134113.7 Ų113.769%0.68762%0.62SS**  trans-65.4114.7173.5-62169.4000107.3E2 L7E2-I4 PolarHBondContact O-N 3.11Å; E2-I4 VanDerWaalsContact O-N 3.16Å; I4-L7 HydrophobicContact CG2-CD1 4.13Å
5G31.4Very low56.2Low57 Ų57113 Ų11359%0.58862%0.62SS**  trans-60.6155.1175.500000112.6P3 L7P3-G5 PolarHBondContact O-N 3.43Å; G5-L7 PolarHBondContact O-N 3.19Å; G5-L7 VanDerWaalsContact O-N 3.14Å
6D41.1Very low56.7Low115 Ų115110.6 Ų110.662%0.61561%0.614SS**  trans-48116.6-178.2-79.4-47.3000111.7Q8 H38 K42D6-Q8 PolarHBondContact O-N 3.18Å; D6-H38 IonicContact OD1-CE1 3.1Å; D6-H38 IonicContact OD1-NE2 2.73Å; D6-K42 IonicContact OD1-NZ 3.85Å
7L54.6Low56.9Low61 Ų61109.1 Ų109.132%0.31963%0.629SS.*  trans-65.699.7174.1-107.290.7000109.1I4 G5 V9 D34 F35I4-L7 HydrophobicContact CG2-CD1 4.13Å; G5-L7 PolarHBondContact O-N 3.19Å; G5-L7 VanDerWaalsContact O-N 3.14Å; L7-V9 PolarHBondContact O-N 2.82Å; L7-D34 HydrophobicContact CD2-CB 4.09Å; L7-F35 HydrophobicContact CD2-CB 4.41Å
8Q60.8Low57.3Low189 Ų189107.2 Ų107.288%0.88364%0.637SS**  trans-78114169.2-73.2-169.3-4.900110D6D6-Q8 PolarHBondContact O-N 3.18Å
9V77.3Confident58.1Low26 Ų26103.9 Ų103.916%0.15862%0.618CS.*  trans-109.4135.3173.7176.70000108.8L7 S11 A24 P26 F35L7-V9 PolarHBondContact O-N 2.82Å; V9-S11 PolarHBondContact O-N 3.45Å; V9-A24 HydrophobicContact CG1-CB 4.13Å; V9-P26 HydrophobicContact CG1-CB 4.22Å; V9-P26 HydrophobicContact CG1-CG 3.93Å; V9-F35 HydrophobicContact CB-CD2 4.02Å; V9-F35 HydrophobicContact CB-CE2 4.06Å; V9-F35 HydrophobicContact CG2-CB 4.06Å; V9-F35 HydrophobicContact CG2-CD2 3.4Å; V9-F35 HydrophobicContact CG2-CE2 3.96Å; V9-F35 HydrophobicContact CG2-CG 3.79Å
10P79.6Confident59Low79 Ų79101.7 Ų101.751%0.51361%0.605SS.*  trans-55.9124.7172.7-23.333000110.8S25P10-S25 PolarHBondContact O-N 3.13Å
11S82.1Confident60.1Low78 Ų7897.4 Ų97.455%0.54558%0.579SS.*EExtended strand (participates in β ladder)trans-141.7145.7179.4640000112.8V9 Y23V9-S11 PolarHBondContact O-N 3.45Å; S11-Y23 CarbonylContact C-O 3.6Å; S11-Y23 WeakPolarHBondContact CA-O 3.3Å; S11-Y23 VanDerWaalsContact CB-O 3.23Å; S11-Y23 WeakPolarHBondContact CB-O 3.22Å
12F74.9Confident62.8Low113 Ų11387 Ų8750%0.49653%0.529SS..EExtended strand (participates in β ladder)trans-133.6155.8172.665.5-86.7000110.5V14 Y23F12-V14 HydrophobicContact CD2-CG2 3.75Å; F12-V14 HydrophobicContact CE2-CG2 3.58Å; F12-Y23 HydrophobicContact CD2-CD2 4.33Å; F12-Y23 HydrophobicContact CE1-CG 4.23Å; F12-Y23 AromaticContact CE2-CD2 3.71Å; F12-Y23 HydrophobicContact CE2-CD2 3.71Å; F12-Y23 HydrophobicContact CE2-CE2 4.49Å; F12-Y23 AromaticContact CE2-CG 3.89Å; F12-Y23 HydrophobicContact CE2-CG 3.89Å; F12-Y23 VanDerWaalsContact CZ-CB 3.46Å; F12-Y23 HydrophobicContact CZ-CD1 4.3Å; F12-Y23 AromaticContact CZ-CD2 3.98Å; F12-Y23 HydrophobicContact CZ-CD2 3.98Å; F12-Y23 AromaticContact CZ-CG 3.66Å; F12-Y23 HydrophobicContact CZ-CG 3.66Å; F12-Y23 PolarHBondContact N-O 3Å; F12-Y23 PolarHBondContact O-N 3.16Å
13M81.7Confident65.8Low138 Ų13880.8 Ų80.868%0.6850%0.498SS*.EExtended strand (participates in β ladder)trans-110.4137.3-179.7-67-171.2-62.400111.4T20 F21 T22M13-T20 HydrophobicContact CB-CG2 4.27Å; M13-T20 HydrophobicContact CG-CG2 4.41Å; M13-T20 HydrophobicContact SD-CG2 4Å; M13-F21 CarbonylContact C-O 3.49Å; M13-F21 VanDerWaalsContact CA-O 3.26Å; M13-F21 WeakPolarHBondContact CA-O 3.33Å; M13-T22 HydrophobicContact CG-CG2 4.42Å
14V78.7Confident68.7Low59 Ų5974.7 Ų74.736%0.35846%0.458SS..EExtended strand (participates in β ladder)trans-125.1129.8174-177.40000108.7F12 F21 Y23F12-V14 HydrophobicContact CD2-CG2 3.75Å; F12-V14 HydrophobicContact CE2-CG2 3.58Å; V14-F21 PolarHBondContact N-O 3.46Å; V14-F21 PolarHBondContact O-N 3.42Å; V14-Y23 HydrophobicContact CB-CE2 4.13Å; V14-Y23 HydrophobicContact CG2-CD2 4.1Å; V14-Y23 HydrophobicContact CG2-CE2 4Å
15V73Confident71.1Confident103 Ų10370.4 Ų70.462%0.62444%0.44SS*.EExtended strand (participates in β ladder)trans-100.5117.5174.3-177.30000108.5T19 T20V15-T19 WeakPolarHBondContact CA-O 3.35Å; V15-T20 HydrophobicContact CG2-CG2 4.38Å
16S64Low73.6Confident75 Ų7567.7 Ų67.752%0.52441%0.413SS..EExtended strand (participates in β ladder)trans-134.2129.8177.5-173.70000110.1G18 T19S16-G18 PolarHBondContact O-N 3.25Å; S16-G18 VanDerWaalsContact O-N 3.13Å; S16-T19 PolarHBondContact N-O 3.48Å; S16-T19 PolarHBondContact O-N 3.29Å
17G61.3Low75.3Confident84 Ų8470.1 Ų70.187%0.86642%0.418SS*.THydrogen-bonded Turntrans59.324.6179.100000115.4T19G17-T19 VanDerWaalsContact C-N 3.34Å
18G63.8Low76.4Confident75 Ų7569.5 Ų69.577%0.77342%0.418SS*.THydrogen-bonded Turntrans82.44.3-176.600000115.2S16S16-G18 PolarHBondContact O-N 3.25Å; S16-G18 VanDerWaalsContact O-N 3.13Å
19T71.9Confident77.2Confident45 Ų4563 Ų6328%0.27640%0.403SS..EExtended strand (participates in β ladder)trans-108.8135.4174.1-53.30000109.8V15 S16 G17 F21 M145V15-T19 WeakPolarHBondContact CA-O 3.35Å; S16-T19 PolarHBondContact N-O 3.48Å; S16-T19 PolarHBondContact O-N 3.29Å; G17-T19 VanDerWaalsContact C-N 3.34Å; T19-F21 HydrophobicContact CG2-CE2 4.09Å; T19-F21 HydrophobicContact CG2-CZ 4.22Å; T19-M145 HydrophobicContact CG2-CB 4.42Å; T19-M145 HydrophobicContact CG2-CE 4.26Å; T19-M145 HydrophobicContact CG2-CG 3.46Å; T19-M145 VanDerWaalsContact CG2-CG 3.46Å
20T76.1Confident77.3Confident60 Ų6064.3 Ų64.337%0.36842%0.416SS..EExtended strand (participates in β ladder)trans-90.8122.3176-54.30000109.7M13 V15 M145M13-T20 HydrophobicContact CB-CG2 4.27Å; M13-T20 HydrophobicContact CG-CG2 4.41Å; M13-T20 HydrophobicContact SD-CG2 4Å; V15-T20 HydrophobicContact CG2-CG2 4.38Å; T20-M145 PolarHBondContact O-N 3.29Å
21F82.6Confident77.3Confident11 Ų1161.7 Ų61.75%0.04840%0.401CS..EExtended strand (participates in β ladder)trans-103.9120.5173.3-66.3-92.4000109.6M13 V14 T19 Y23 F129 L133 M145 V147M13-F21 CarbonylContact C-O 3.49Å; M13-F21 VanDerWaalsContact CA-O 3.26Å; M13-F21 WeakPolarHBondContact CA-O 3.33Å; V14-F21 PolarHBondContact N-O 3.46Å; V14-F21 PolarHBondContact O-N 3.42Å; T19-F21 HydrophobicContact CG2-CE2 4.09Å; T19-F21 HydrophobicContact CG2-CZ 4.22Å; F21-Y23 HydrophobicContact CB-CD2 4.18Å; F21-Y23 HydrophobicContact CB-CE2 3.58Å; F21-Y23 HydrophobicContact CG-CE2 4.46Å; F21-F129 HydrophobicContact CE1-CZ 4.39Å; F21-L133 HydrophobicContact CE1-CD2 3.72Å; F21-L133 HydrophobicContact CZ-CD1 4.1Å; F21-L133 HydrophobicContact CZ-CD2 3.61Å; F21-M145 CarbonylContact C-O 3.45Å; F21-M145 WeakPolarHBondContact CA-O 3.28Å; F21-M145 HydrophobicContact CD1-CB 3.37Å; F21-M145 HydrophobicContact CD1-CG 3.98Å; F21-M145 HydrophobicContact CE1-CB 3.58Å; F21-M145 HydrophobicContact CE1-CG 3.65Å; F21-M145 HydrophobicContact CE1-SD 4.41Å; F21-M145 HydrophobicContact CG-CB 4.03Å; F21-M145 HydrophobicContact CZ-CB 4.4Å; F21-M145 HydrophobicContact CZ-CG 4.11Å; F21-V147 HydrophobicContact CD1-CG2 4.05Å
22T86.9Confident77.3Confident20 Ų2058.7 Ų58.712%0.12338%0.38CS..EExtended strand (participates in β ladder)trans-94116.1168.4-57.40000107.8M13 M145 L146 V147M13-T22 HydrophobicContact CG-CG2 4.42Å; T22-M145 PolarHBondContact N-O 3.21Å; T22-L146 HydrophobicContact CG2-CD1 3.97Å; T22-L146 CarbonylContact O-C 3.51Å; T22-L146 WeakPolarHBondContact O-CA 3.45Å; T22-L146 WeakPolarHBondContact O-CD1 3.46Å; T22-V147 PolarHBondContact O-N 2.87Å
23Y83.3Confident78Confident46 Ų4654.7 Ų54.718%0.1836%0.363CS..EExtended strand (participates in β ladder)trans-92.9125.5172.5-71.3-97000108.3S11 F12 V14 F21 V147 T149S11-Y23 CarbonylContact C-O 3.6Å; S11-Y23 WeakPolarHBondContact CA-O 3.3Å; S11-Y23 VanDerWaalsContact CB-O 3.23Å; S11-Y23 WeakPolarHBondContact CB-O 3.22Å; F12-Y23 HydrophobicContact CD2-CD2 4.33Å; F12-Y23 HydrophobicContact CE1-CG 4.23Å; F12-Y23 AromaticContact CE2-CD2 3.71Å; F12-Y23 HydrophobicContact CE2-CD2 3.71Å; F12-Y23 HydrophobicContact CE2-CE2 4.49Å; F12-Y23 AromaticContact CE2-CG 3.89Å; F12-Y23 HydrophobicContact CE2-CG 3.89Å; F12-Y23 VanDerWaalsContact CZ-CB 3.46Å; F12-Y23 HydrophobicContact CZ-CD1 4.3Å; F12-Y23 AromaticContact CZ-CD2 3.98Å; F12-Y23 HydrophobicContact CZ-CD2 3.98Å; F12-Y23 AromaticContact CZ-CG 3.66Å; F12-Y23 HydrophobicContact CZ-CG 3.66Å; F12-Y23 PolarHBondContact N-O 3Å; F12-Y23 PolarHBondContact O-N 3.16Å; V14-Y23 HydrophobicContact CB-CE2 4.13Å; V14-Y23 HydrophobicContact CG2-CD2 4.1Å; V14-Y23 HydrophobicContact CG2-CE2 4Å; F21-Y23 HydrophobicContact CB-CD2 4.18Å; F21-Y23 HydrophobicContact CB-CE2 3.58Å; F21-Y23 HydrophobicContact CG-CE2 4.46Å; Y23-V147 CarbonylContact C-O 3.47Å; Y23-V147 WeakPolarHBondContact CA-O 3.44Å; Y23-V147 HydrophobicContact CD1-CB 3.65Å; Y23-V147 HydrophobicContact CD1-CG1 3.69Å; Y23-V147 HydrophobicContact CD1-CG2 4.32Å; Y23-V147 HydrophobicContact CE1-CB 3.75Å; Y23-V147 HydrophobicContact CE1-CG1 3.61Å; Y23-V147 HydrophobicContact CE1-CG2 3.97Å; Y23-V147 HydrophobicContact CG-CB 4.23Å; Y23-T149 HydrophobicContact CD1-CG2 4.03Å
24A85.6Confident78.1Confident0 Ų051.4 Ų51.40%035%0.348CS..EExtended strand (participates in β ladder)trans-116131.6174.600000109.2V9 P26 F35 L146 V147 I148 T149V9-A24 HydrophobicContact CG1-CB 4.13Å; A24-P26 VanDerWaalsContact C-CD 3.49Å; A24-P26 VanDerWaalsContact O-CD 3.24Å; A24-P26 WeakPolarHBondContact O-CD 3.22Å; A24-F35 HydrophobicContact CB-CE1 3.72Å; A24-F35 HydrophobicContact CB-CZ 4Å; A24-L146 HydrophobicContact CB-CD1 4.11Å; A24-V147 PolarHBondContact N-O 3.04Å; A24-I148 WeakPolarHBondContact O-CA 3.47Å; A24-T149 PolarHBondContact O-N 3.32Å; A24-T149 PolarHBondContact O-OG1 3.33Å
25S83.8Confident78.5Confident44 Ų4450 Ų5031%0.30834%0.338SS..  trans-116.180.2-179.1-61.60000111.4P10 T149P10-S25 PolarHBondContact O-N 3.13Å; S25-T149 PolarHBondContact OG-OG1 2.84Å
26P83.6Confident79.2Confident1 Ų145.3 Ų45.31%0.00631%0.309CS..  trans-65.2143.8173.8-14.528.1000111.2V9 A24 S28 A31 S32 F35 I148 C151V9-P26 HydrophobicContact CG1-CB 4.22Å; V9-P26 HydrophobicContact CG1-CG 3.93Å; A24-P26 VanDerWaalsContact C-CD 3.49Å; A24-P26 VanDerWaalsContact O-CD 3.24Å; A24-P26 WeakPolarHBondContact O-CD 3.22Å; P26-S28 PolarHBondContact O-N 2.84Å; P26-S28 VanDerWaalsContact O-N 3.13Å; P26-A31 HydrophobicContact CB-CB 4.09Å; P26-S32 WeakPolarHBondContact CB-OG 3.33Å; P26-S32 WeakPolarHBondContact CG-OG 3.41Å; P26-F35 HydrophobicContact CG-CD1 4.45Å; P26-I148 HydrophobicContact CG-CG2 4.11Å; P26-C151 VanDerWaalsContact O-CB 3.24Å; P26-C151 WeakPolarHBondContact O-CB 3.18Å
27K75.7Confident80.3Confident166 Ų16641.8 Ų41.872%0.72229%0.285SS*.SBendtrans-67.8-13.2-171.9-61.2-176.6179.5-177.40115.4
28S78.5Confident81.4Confident47 Ų4740 Ų4033%0.32925%0.253SS..SBendtrans-159.9163.1179.972.90000110.8P26 A30 A31 S32P26-S28 PolarHBondContact O-N 2.84Å; P26-S28 VanDerWaalsContact O-N 3.13Å; S28-A30 VanDerWaalsContact C-N 3.26Å; S28-A30 PolarHBondContact O-N 3.2Å; S28-A31 WeakPolarHBondContact O-CB 3.27Å; S28-A31 PolarHBondContact O-N 3.49Å; S28-A31 VanDerWaalsContact O-N 3.08Å; S28-A31 PolarHBondContact OG-N 2.97Å; S28-S32 PolarHBondContact O-N 3.05Å; S28-S32 PolarHBondContact O-OG 3.03Å; S28-S32 VanDerWaalsContact O-OG 3.14Å
29G77.3Confident82.4Confident54 Ų5437.3 Ų37.356%0.55722%0.222SC*.Hα-helixtrans-58.5-35176.300000113.8S32 L33G29-S32 WeakPolarHBondContact O-CB 3.34Å; G29-S32 PolarHBondContact O-N 3.49Å; G29-L33 WeakPolarHBondContact O-CG 3.47Å; G29-L33 PolarHBondContact O-N 3.22Å
30A78.2Confident83.1Confident53 Ų5336 Ų3644%0.43821%0.213SC..Hα-helixtrans-67.5-43.4174.100000111.5S28 S32 L33 D34S28-A30 VanDerWaalsContact C-N 3.26Å; S28-A30 PolarHBondContact O-N 3.2Å; A30-S32 VanDerWaalsContact C-N 3.27Å; A30-S32 PolarHBondContact O-N 3.23Å; A30-L33 PolarHBondContact O-N 3.09Å; A30-D34 VanDerWaalsContact O-CG 3.32Å; A30-D34 PolarHBondContact O-N 2.85Å
31A79.9Confident83.3Confident23 Ų2339.6 Ų39.619%0.1922%0.22CC..Hα-helixtrans-63.7-33.1175.700000112.2P26 S28 D34 F35P26-A31 HydrophobicContact CB-CB 4.09Å; S28-A31 WeakPolarHBondContact O-CB 3.27Å; S28-A31 PolarHBondContact O-N 3.49Å; S28-A31 VanDerWaalsContact O-N 3.08Å; S28-A31 PolarHBondContact OG-N 2.97Å; A31-D34 PolarHBondContact O-N 3.46Å; A31-F35 VanDerWaalsContact O-CB 3.24Å; A31-F35 WeakPolarHBondContact O-CB 3.36Å; A31-F35 PolarHBondContact O-N 3.44Å
32S83.4Confident83Confident15 Ų1546 Ų4611%0.10525%0.248CC..Hα-helixtrans-63-43.1173.5-58.70000112.3P26 S28 G29 A30 L36P26-S32 WeakPolarHBondContact CB-OG 3.33Å; P26-S32 WeakPolarHBondContact CG-OG 3.41Å; S28-S32 PolarHBondContact O-N 3.05Å; S28-S32 PolarHBondContact O-OG 3.03Å; S28-S32 VanDerWaalsContact O-OG 3.14Å; G29-S32 WeakPolarHBondContact O-CB 3.34Å; G29-S32 PolarHBondContact O-N 3.49Å; A30-S32 VanDerWaalsContact C-N 3.27Å; A30-S32 PolarHBondContact O-N 3.23Å; S32-L36 WeakPolarHBondContact O-CB 3.4Å; S32-L36 WeakPolarHBondContact O-CD1 3.49Å; S32-L36 VanDerWaalsContact O-CG 3.3Å; S32-L36 WeakPolarHBondContact O-CG 3.2Å; S32-L36 PolarHBondContact O-N 3.24Å
33L88.3Confident82Confident29 Ų2947.7 Ų47.715%0.15225%0.252CS..Hα-helixtrans-70.3-37.1178-67.6168.8000112.1G29 A30 L36 A37 L63 E66G29-L33 WeakPolarHBondContact O-CG 3.47Å; G29-L33 PolarHBondContact O-N 3.22Å; A30-L33 PolarHBondContact O-N 3.09Å; L33-L36 HydrophobicContact CD2-CD1 4.34Å; L33-L36 PolarHBondContact O-N 3.25Å; L33-A37 WeakPolarHBondContact O-CB 3.43Å; L33-A37 PolarHBondContact O-N 3.35Å; L33-L63 HydrophobicContact CD2-CD1 3.75Å; L33-E66 HydrophobicContact CD1-CB 3.98Å; L33-E66 HydrophobicContact CD1-CG 3.96Å; L33-E66 HydrophobicContact CD2-CB 3.95Å
34D84.3Confident80.6Confident69 Ų6952.3 Ų52.337%0.36928%0.275SS..Hα-helixtrans-67.5-41175.3-66.6-22.1000111.6L7 A30 A31 A37 H38 R70L7-D34 HydrophobicContact CD2-CB 4.09Å; A30-D34 VanDerWaalsContact O-CG 3.32Å; A30-D34 PolarHBondContact O-N 2.85Å; A31-D34 PolarHBondContact O-N 3.46Å; D34-A37 PolarHBondContact O-N 2.82Å; D34-H38 WeakPolarHBondContact O-CB 3.44Å; D34-H38 PolarHBondContact O-N 3.07Å; D34-R70 IonicContact OD1-CZ 2.82Å; D34-R70 IonicContact OD1-NE 3.13Å; D34-R70 PolarHBondContact OD1-NE 3.05Å; D34-R70 IonicContact OD1-NH2 2.7Å
35F86.2Confident79.1Confident30 Ų3055.5 Ų55.513%0.13230%0.302CS..Hα-helixtrans-63.7-43.4173.4175.6-107.2000112.2L7 V9 A24 P26 A31 H38 T39 L146 I148L7-F35 HydrophobicContact CD2-CB 4.41Å; V9-F35 HydrophobicContact CB-CD2 4.02Å; V9-F35 HydrophobicContact CB-CE2 4.06Å; V9-F35 HydrophobicContact CG2-CB 4.06Å; V9-F35 HydrophobicContact CG2-CD2 3.4Å; V9-F35 HydrophobicContact CG2-CE2 3.96Å; V9-F35 HydrophobicContact CG2-CG 3.79Å; A24-F35 HydrophobicContact CB-CE1 3.72Å; A24-F35 HydrophobicContact CB-CZ 4Å; P26-F35 HydrophobicContact CG-CD1 4.45Å; A31-F35 VanDerWaalsContact O-CB 3.24Å; A31-F35 WeakPolarHBondContact O-CB 3.36Å; A31-F35 PolarHBondContact O-N 3.44Å; F35-H38 PolarHBondContact O-N 3.32Å; F35-T39 WeakPolarHBondContact O-CB 3.29Å; F35-T39 PolarHBondContact O-N 3.36Å; F35-T39 PolarHBondContact O-OG1 2.97Å; F35-L146 HydrophobicContact CE1-CD2 4.14Å; F35-I148 HydrophobicContact CD1-CD1 4.36Å
36L88.5Confident77.7Confident5 Ų559.6 Ų59.63%0.02632%0.32CS..Hα-helixtrans-58.7-49.4173.3-83.8163.7000111.4S32 L33 H38 T39 L40 L52 L63 L67 I119 T121 I148S32-L36 WeakPolarHBondContact O-CB 3.4Å; S32-L36 WeakPolarHBondContact O-CD1 3.49Å; S32-L36 VanDerWaalsContact O-CG 3.3Å; S32-L36 WeakPolarHBondContact O-CG 3.2Å; S32-L36 PolarHBondContact O-N 3.24Å; L33-L36 HydrophobicContact CD2-CD1 4.34Å; L33-L36 PolarHBondContact O-N 3.25Å; L36-H38 VanDerWaalsContact C-N 3.34Å; L36-H38 PolarHBondContact O-N 2.79Å; L36-T39 PolarHBondContact O-N 3.39Å; L36-L40 WeakPolarHBondContact O-CB 3.35Å; L36-L40 VanDerWaalsContact O-CG 3.3Å; L36-L40 WeakPolarHBondContact O-CG 3.28Å; L36-L40 PolarHBondContact O-N 3.38Å; L36-L52 HydrophobicContact CD2-CD2 3.8Å; L36-L63 HydrophobicContact CD1-CD1 4.11Å; L36-L67 HydrophobicContact CB-CD2 4.12Å; L36-I119 HydrophobicContact CD2-CD1 4.19Å; L36-I119 HydrophobicContact CD2-CG2 3.76Å; L36-T121 HydrophobicContact CD1-CG2 4.09Å; L36-T121 HydrophobicContact CD2-CG2 4.09Å; L36-I148 HydrophobicContact CD1-CD1 3.65Å; L36-I148 HydrophobicContact CD2-CD1 3.33Å; L36-I148 HydrophobicContact CG-CD1 3.28Å
37A87.4Confident76.4Confident1 Ų164 Ų641%0.00835%0.347CS..Hα-helixtrans-62.7-43.1-179.800000111.3L33 D34 L40 R41 L67 R70 V72L33-A37 WeakPolarHBondContact O-CB 3.43Å; L33-A37 PolarHBondContact O-N 3.35Å; D34-A37 PolarHBondContact O-N 2.82Å; A37-L40 PolarHBondContact O-N 2.85Å; A37-R41 WeakPolarHBondContact O-CB 3.41Å; A37-R41 VanDerWaalsContact O-CG 3.26Å; A37-R41 WeakPolarHBondContact O-CG 3.3Å; A37-R41 PolarHBondContact O-N 3.45Å; A37-L67 HydrophobicContact CB-CD2 4.28Å; A37-R70 HydrophobicContact CB-CB 3.73Å; A37-R70 HydrophobicContact CB-CG 4.39Å; A37-V72 HydrophobicContact CB-CG2 3.87Å
38H84.8Confident76.2Confident45 Ų4559.3 Ų59.321%0.20833%0.328CS..Hα-helixtrans-61.5-46.5174.7-177.984.1000112.1D6 D34 F35 L36 L40 R41 K42D6-H38 IonicContact OD1-CE1 3.1Å; D6-H38 IonicContact OD1-NE2 2.73Å; D34-H38 WeakPolarHBondContact O-CB 3.44Å; D34-H38 PolarHBondContact O-N 3.07Å; F35-H38 PolarHBondContact O-N 3.32Å; L36-H38 VanDerWaalsContact C-N 3.34Å; L36-H38 PolarHBondContact O-N 2.79Å; H38-L40 VanDerWaalsContact C-N 3.32Å; H38-L40 PolarHBondContact O-N 3.29Å; H38-R41 PolarHBondContact O-N 3.17Å; H38-K42 WeakPolarHBondContact O-CB 3.25Å; H38-K42 PolarHBondContact O-N 2.91Å
39T84.8Confident76.4Confident19 Ų1959 Ų5912%0.11732%0.32CS..Hα-helixtrans-58.6-43178.4-58.90000111.8F35 L36 R43 L117 L146F35-T39 WeakPolarHBondContact O-CB 3.29Å; F35-T39 PolarHBondContact O-N 3.36Å; F35-T39 PolarHBondContact O-OG1 2.97Å; L36-T39 PolarHBondContact O-N 3.39Å; T39-R43 PolarHBondContact O-N 3.34Å; T39-L117 HydrophobicContact CG2-CD2 4.47Å; T39-L146 HydrophobicContact CG2-CD2 4.27Å
40L85.7Confident76.9Confident18 Ų1856.8 Ų56.89%0.09430%0.297CS..Hα-helixtrans-73.6-27.2179.3-67.3171000113.2L36 A37 H38 T50 L52 L67 V72 A99 I119L36-L40 WeakPolarHBondContact O-CB 3.35Å; L36-L40 VanDerWaalsContact O-CG 3.3Å; L36-L40 WeakPolarHBondContact O-CG 3.28Å; L36-L40 PolarHBondContact O-N 3.38Å; A37-L40 PolarHBondContact O-N 2.85Å; H38-L40 VanDerWaalsContact C-N 3.32Å; H38-L40 PolarHBondContact O-N 3.29Å; L40-T50 HydrophobicContact CD2-CG2 3.75Å; L40-L52 HydrophobicContact CD1-CD1 4.01Å; L40-L52 HydrophobicContact CD1-CD2 4.4Å; L40-L67 HydrophobicContact CD1-CD1 3.99Å; L40-L67 HydrophobicContact CD1-CD2 4.25Å; L40-V72 HydrophobicContact CB-CG1 3.84Å; L40-V72 HydrophobicContact CD1-CG1 3.76Å; L40-V72 HydrophobicContact CG-CG1 4.44Å; L40-A99 HydrophobicContact CD2-CB 3.93Å; L40-I119 HydrophobicContact CD2-CD1 4.27Å
41R81Confident77.5Confident135 Ų13554.3 Ų54.351%0.50928%0.276SS..Hα-helixtrans-81.6-33.4175.9-71.4-175.1-148.8135.1-11.5113.2A37 H38 R43 R70 V72A37-R41 WeakPolarHBondContact O-CB 3.41Å; A37-R41 VanDerWaalsContact O-CG 3.26Å; A37-R41 WeakPolarHBondContact O-CG 3.3Å; A37-R41 PolarHBondContact O-N 3.45Å; H38-R41 PolarHBondContact O-N 3.17Å; R41-R43 VanDerWaalsContact C-N 3.3Å; R41-R70 PolarHBondContact NE-O 3.22Å; R41-R70 PolarHBondContact NH2-O 2.87Å; R41-V72 HydrophobicContact CG-CG2 3.93Å
42K75.1Confident78.1Confident145 Ų14553.2 Ų53.263%0.6327%0.267SS*.Hα-helixtrans-70.9-28.1-179.3-171.5170.4-175.4163.80112.1D6 H38D6-K42 IonicContact OD1-NZ 3.85Å; H38-K42 WeakPolarHBondContact O-CB 3.25Å; H38-K42 PolarHBondContact O-N 2.91Å
43R67.8Low78.5Confident57 Ų5752.5 Ų52.522%0.21526%0.262CS..SBendtrans-84.3130.1174.7-70.6176.1176.5-12010.1109.4T39 R41 A45 E48 E144T39-R43 PolarHBondContact O-N 3.34Å; R41-R43 VanDerWaalsContact C-N 3.3Å; R43-A45 PolarHBondContact O-N 3.23Å; R43-E48 WeakPolarHBondContact CD-OE2 3.31Å; R43-E48 WeakPolarHBondContact CG-OE2 3.39Å; R43-E48 IonicContact CZ-OE2 3.83Å; R43-E48 IonicContact NE-OE2 3.65Å; R43-E48 IonicContact NH1-OE2 3.62Å; R43-E48 PolarHBondContact NH1-OE2 3.41Å; R43-E144 IonicContact CZ-OE2 2.87Å; R43-E144 IonicContact NH1-OE2 3.41Å; R43-E144 IonicContact NH2-OE1 3.21Å; R43-E144 IonicContact NH2-OE2 3.46Å; R43-E144 PolarHBondContact NH2-OE2 3.03Å
44E53.9Low78.6Confident142 Ų14251.1 Ų51.166%0.66426%0.255SS*.  trans-61.3112.5-178.2-76.2-176.1168.700110.3N46 T47E44-N46 PolarHBondContact O-N 3.05Å; E44-T47 WeakPolarHBondContact CB-OG1 3.25Å; E44-T47 PolarHBondContact O-N 3.04Å; E44-T47 PolarHBondContact O-OG1 3.44Å; E44-T47 PolarHBondContact OE2-OG1 3.26Å
45A54.1Low78.8Confident68 Ų6850.5 Ų50.556%0.56225%0.249SC*.THydrogen-bonded Turntrans-64.114.1-177.600000115R43 N97R43-A45 PolarHBondContact O-N 3.23Å; A45-N97 WeakPolarHBondContact O-CB 3.34Å
46N52.5Low78.9Confident129 Ų12953.4 Ų53.469%0.6926%0.264SS*.THydrogen-bonded Turntrans-125.1-4.6178.6-75.8-25.5000113.9E44 N97E44-N46 PolarHBondContact O-N 3.05Å; N46-N97 PolarHBondContact OD1-ND2 2.76Å
47T57.2Low78.7Confident93 Ų9355.3 Ų55.357%0.57127%0.274SS*.THydrogen-bonded Turntrans-128.7-26.4-174.145.90000113.9E44E44-T47 WeakPolarHBondContact CB-OG1 3.25Å; E44-T47 PolarHBondContact O-N 3.04Å; E44-T47 PolarHBondContact O-OG1 3.44Å; E44-T47 PolarHBondContact OE2-OG1 3.26Å
48E70.5Confident78.5Confident69 Ų6961 Ų6132%0.32230%0.299SS..  trans-112.5127.5-179-65.5-173.7-176.400112.9R43 N116R43-E48 WeakPolarHBondContact CD-OE2 3.31Å; R43-E48 WeakPolarHBondContact CG-OE2 3.39Å; R43-E48 IonicContact CZ-OE2 3.83Å; R43-E48 IonicContact NE-OE2 3.65Å; R43-E48 IonicContact NH1-OE2 3.62Å; R43-E48 PolarHBondContact NH1-OE2 3.41Å; E48-N116 HydrophobicContact CB-CB 4.26Å; E48-N116 HydrophobicContact CG-CB 4.48Å
49K83.9Confident78.6Confident39 Ų3960.8 Ų60.817%0.1730%0.298CS..  trans-90.9114175.7-76.6173.9-177.1164.50110.6W91 S92 E114 N116 L117K49-W91 HydrophobicContact CB-CH2 3.68Å; K49-W91 HydrophobicContact CB-CZ2 3.76Å; K49-W91 HydrophobicContact CB-CZ3 4.44Å; K49-W91 HydrophobicContact CD-CH2 4.36Å; K49-W91 HydrophobicContact CD-CZ3 4.35Å; K49-W91 WeakPolarHBondContact CE-O 3.47Å; K49-W91 HydrophobicContact CG-CH2 4.24Å; K49-W91 HydrophobicContact CG-CZ2 4.16Å; K49-S92 PolarHBondContact NZ-O 2.77Å; K49-E114 WeakPolarHBondContact CD-O 3.49Å; K49-N116 PolarHBondContact N-OD1 3Å; K49-N116 PolarHBondContact O-N 2.87Å; K49-L117 PolarHBondContact O-N 2.88Å
50T88.4Confident78.8Confident9 Ų959.9 Ų59.96%0.05529%0.292CS..EExtended strand (participates in β ladder)trans-109.2134.7-179.2-51.50000112.2L40 W91 A99 L100 L117 I119L40-T50 HydrophobicContact CD2-CG2 3.75Å; T50-W91 WeakPolarHBondContact O-CZ2 3.28Å; T50-A99 WeakPolarHBondContact O-CA 3.15Å; T50-L100 PolarHBondContact O-N 2.99Å; T50-L117 CarbonylContact C-O 3.55Å; T50-L117 VanDerWaalsContact CA-O 3.32Å; T50-L117 WeakPolarHBondContact CA-O 3.4Å; T50-L117 HydrophobicContact CG2-CB 4.14Å; T50-L117 HydrophobicContact CG2-CD2 3.86Å; T50-L117 HydrophobicContact CG2-CG 4.1Å; T50-I119 HydrophobicContact CG2-CD1 3.91Å; T50-I119 HydrophobicContact CG2-CG1 4.1Å
51I90.9Very high78.8Confident0 Ų064 Ų640%031%0.311CS..EExtended strand (participates in β ladder)trans-111.3132.9172.1-59.4176.6000109.1I53 W91 L100 L102 L110 V113 A115 L117 V118 I119I51-I53 HydrophobicContact CG2-CD1 4.33Å; I51-I53 HydrophobicContact CG2-CG1 3.79Å; I51-W91 HydrophobicContact CD1-CH2 4.04Å; I51-W91 HydrophobicContact CD1-CZ3 4.38Å; I51-W91 HydrophobicContact CG1-CH2 3.6Å; I51-W91 HydrophobicContact CG1-CZ2 4.18Å; I51-W91 HydrophobicContact CG1-CZ3 4.36Å; I51-L100 CarbonylContact C-O 3.51Å; I51-L100 WeakPolarHBondContact CA-O 3.35Å; I51-L102 HydrophobicContact CG2-CD2 3.61Å; I51-L102 HydrophobicContact CG2-CG 4.1Å; I51-L110 HydrophobicContact CD1-CD2 3.76Å; I51-V113 HydrophobicContact CD1-CG2 4.15Å; I51-A115 HydrophobicContact CD1-CB 3.61Å; I51-A115 HydrophobicContact CG1-CB 3.99Å; I51-L117 PolarHBondContact N-O 3.15Å; I51-V118 HydrophobicContact CB-CG2 4.34Å; I51-V118 CarbonylContact O-C 3.58Å; I51-V118 WeakPolarHBondContact O-CA 3.35Å; I51-I119 PolarHBondContact O-N 3.42Å
52L92.4Very high79.2Confident0 Ų065.7 Ų65.70%032%0.317CS..EExtended strand (participates in β ladder)trans-111.1123.4172.7-67.7139.2000108.1L36 L40 L63 L67 T74 A99 L100 I101 L102 I119 T121L36-L52 HydrophobicContact CD2-CD2 3.8Å; L40-L52 HydrophobicContact CD1-CD1 4.01Å; L40-L52 HydrophobicContact CD1-CD2 4.4Å; L52-L63 HydrophobicContact CB-CD2 4.29Å; L52-L63 HydrophobicContact CD2-CD2 4.41Å; L52-L67 HydrophobicContact CD1-CD1 4.2Å; L52-T74 HydrophobicContact CD1-CG2 4.36Å; L52-A99 HydrophobicContact CD1-CB 3.77Å; L52-L100 PolarHBondContact N-O 2.83Å; L52-I101 HydrophobicContact CB-CB 4.45Å; L52-I101 HydrophobicContact CB-CG1 4.01Å; L52-I101 HydrophobicContact CB-CG2 4.5Å; L52-I101 HydrophobicContact CD1-CD1 4.44Å; L52-I101 HydrophobicContact CD1-CG1 3.7Å; L52-I101 WeakPolarHBondContact O-CA 3.46Å; L52-L102 PolarHBondContact O-N 2.99Å; L52-I119 WeakPolarHBondContact CA-O 3.45Å; L52-I119 HydrophobicContact CD2-CB 3.97Å; L52-I119 HydrophobicContact CD2-CD1 3.99Å; L52-I119 HydrophobicContact CD2-CG1 4.46Å; L52-I119 HydrophobicContact CD2-CG2 4.26Å; L52-T121 HydrophobicContact CD2-CG2 3.78Å
53I91.6Very high79.8Confident0 Ų059.4 Ų59.40%029%0.29CS..EExtended strand (participates in β ladder)trans-113.9119.6-175.6-52.8176.1000109.8I51 L102 L107 V118 I119 T121 L136I51-I53 HydrophobicContact CG2-CD1 4.33Å; I51-I53 HydrophobicContact CG2-CG1 3.79Å; I53-L102 WeakPolarHBondContact CA-O 3.47Å; I53-L102 HydrophobicContact CG1-CD1 4.04Å; I53-L102 HydrophobicContact CG1-CG 4.47Å; I53-L102 HydrophobicContact CG2-CD1 4.19Å; I53-L107 HydrophobicContact CD1-CD2 4.09Å; I53-V118 HydrophobicContact CD1-CG1 3.45Å; I53-V118 VanDerWaalsContact CD1-CG1 3.45Å; I53-V118 HydrophobicContact CG1-CG1 4.12Å; I53-I119 PolarHBondContact N-O 2.88Å; I53-T121 PolarHBondContact O-N 3.39Å; I53-T121 VanDerWaalsContact O-N 3.09Å; I53-T121 PolarHBondContact O-OG1 3.42Å; I53-T121 VanDerWaalsContact O-OG1 3.05Å; I53-L136 HydrophobicContact CD1-CD1 3.67Å; I53-L136 HydrophobicContact CD1-CD2 3.81Å; I53-L136 HydrophobicContact CD1-CG 4.24Å
54C90.9Very high81Confident1 Ų160.8 Ų60.81%0.00730%0.298CS..EExtended strand (participates in β ladder)trans-104163169-480000110.5E59 A60 L102 C103 D104 T121 T122C54-E59 HydrophobicContact CB-CB 3.78Å; C54-A60 HydrophobicContact CB-CB 4.14Å; C54-L102 PolarHBondContact N-O 3.23Å; C54-C103 CarbonylContact O-C 3.59Å; C54-C103 WeakPolarHBondContact O-CA 3.31Å; C54-D104 PolarHBondContact O-N 3.28Å; C54-D104 VanDerWaalsContact O-N 3.1Å; C54-T121 PolarHBondContact SG-OG1 3.01Å; C54-T122 WeakPolarHBondContact CA-OG1 3.48Å
55Q88.4Confident82.5Confident55 Ų5560.1 Ų60.126%0.25729%0.293SS..SBendtrans-77.7-43.8177.1-171176.70.200110.5E59 T122 P124Q55-E59 PolarHBondContact N-OE2 3.47Å; Q55-T122 PolarHBondContact N-OG1 3.21Å; Q55-P124 HydrophobicContact CG-CB 4.27Å
56Q86.4Confident84.2Confident92 Ų9258.8 Ų58.843%0.4328%0.275SS..SBendtrans-122.4154.4-173.5-61.9-176.9-26.900112.5F58 E59 A60Q56-F58 VanDerWaalsContact C-N 3.35Å; Q56-F58 HydrophobicContact CB-CD1 4.04Å; Q56-F58 HydrophobicContact CB-CE1 3.87Å; Q56-F58 HydrophobicContact CB-CZ 4.38Å; Q56-F58 HydrophobicContact CG-CE1 4.45Å; Q56-F58 PolarHBondContact O-N 2.91Å; Q56-E59 HydrophobicContact CB-CG 4.28Å; Q56-E59 PolarHBondContact N-OE2 2.87Å; Q56-E59 WeakPolarHBondContact O-CB 3.32Å; Q56-E59 PolarHBondContact O-N 3.45Å; Q56-A60 PolarHBondContact O-N 3.49Å
57N85.2Confident85.8Confident44 Ų4452.6 Ų52.624%0.23524%0.242CC..Hα-helixtrans-63.4-36.9-176.5-178.561.4000113.1E59 A60 E61 P79N57-E59 VanDerWaalsContact C-N 3.26Å; N57-E59 PolarHBondContact O-N 2.71Å; N57-A60 WeakPolarHBondContact O-CB 3.01Å; N57-A60 PolarHBondContact O-N 2.88Å; N57-E61 PolarHBondContact ND2-OE1 2.81Å; N57-E61 PolarHBondContact O-N 3.07Å; N57-P79 HydrophobicContact CB-CG 3.98Å; N57-P79 WeakPolarHBondContact OD1-CD 3.49Å
58F82.8Confident87.1Confident122 Ų12250.7 Ų50.754%0.53524%0.236SC..Hα-helixtrans-66.6-30.7178.273.6-104.1000112Q56 A60 E61 R62Q56-F58 VanDerWaalsContact C-N 3.35Å; Q56-F58 HydrophobicContact CB-CD1 4.04Å; Q56-F58 HydrophobicContact CB-CE1 3.87Å; Q56-F58 HydrophobicContact CB-CZ 4.38Å; Q56-F58 HydrophobicContact CG-CE1 4.45Å; Q56-F58 PolarHBondContact O-N 2.91Å; F58-A60 VanDerWaalsContact C-N 3.35Å; F58-E61 PolarHBondContact O-N 3.4Å; F58-R62 VanDerWaalsContact O-CB 3.3Å; F58-R62 WeakPolarHBondContact O-CB 3.35Å; F58-R62 PolarHBondContact O-N 2.88Å
59E87.4Confident87.8Confident40 Ų4053.4 Ų53.419%0.18725%0.248CC..Hα-helixtrans-65.6-42.8174.3-62.7175.217700110.1C54 Q55 Q56 N57 R62 L63 T122C54-E59 HydrophobicContact CB-CB 3.78Å; Q55-E59 PolarHBondContact N-OE2 3.47Å; Q56-E59 HydrophobicContact CB-CG 4.28Å; Q56-E59 PolarHBondContact N-OE2 2.87Å; Q56-E59 WeakPolarHBondContact O-CB 3.32Å; Q56-E59 PolarHBondContact O-N 3.45Å; N57-E59 VanDerWaalsContact C-N 3.26Å; N57-E59 PolarHBondContact O-N 2.71Å; E59-R62 PolarHBondContact O-N 3.48Å; E59-L63 WeakPolarHBondContact O-CB 3.15Å; E59-L63 PolarHBondContact O-N 3.37Å; E59-T122 WeakPolarHBondContact OE2-CG2 3.47Å; E59-T122 PolarHBondContact OE2-OG1 2.7Å
60A88.1Confident87.9Confident0 Ų053.6 Ų53.60%025%0.248CC..Hα-helixtrans-64.6-39.7177.300000112.2C54 Q56 N57 F58 K64 L76 I101C54-A60 HydrophobicContact CB-CB 4.14Å; Q56-A60 PolarHBondContact O-N 3.49Å; N57-A60 WeakPolarHBondContact O-CB 3.01Å; N57-A60 PolarHBondContact O-N 2.88Å; F58-A60 VanDerWaalsContact C-N 3.35Å; A60-K64 WeakPolarHBondContact O-CB 3.23Å; A60-K64 PolarHBondContact O-N 3.2Å; A60-L76 HydrophobicContact CB-CD1 3.46Å; A60-L76 VanDerWaalsContact CB-CD1 3.46Å; A60-I101 HydrophobicContact CB-CG2 3.73Å
61E87.4Confident87.5Confident104 Ų10459.8 Ų59.849%0.48628%0.281SS..Hα-helixtrans-65-45172.8-74.2179-17500112.3N57 F58 K64 F65 L76N57-E61 PolarHBondContact ND2-OE1 2.81Å; N57-E61 PolarHBondContact O-N 3.07Å; F58-E61 PolarHBondContact O-N 3.4Å; E61-K64 PolarHBondContact O-N 3.07Å; E61-F65 PolarHBondContact O-N 3.25Å; E61-L76 HydrophobicContact CB-CD2 4.36Å; E61-L76 HydrophobicContact CG-CD2 3.5Å
62R88.1Confident87.1Confident170 Ų17060.4 Ų60.464%0.64229%0.285SS*.Hα-helixtrans-63.1-47176-176.8178.5175.6-172.1-1.9111.3F58 E59 K64 F65 E66F58-R62 VanDerWaalsContact O-CB 3.3Å; F58-R62 WeakPolarHBondContact O-CB 3.35Å; F58-R62 PolarHBondContact O-N 2.88Å; E59-R62 PolarHBondContact O-N 3.48Å; R62-K64 VanDerWaalsContact C-N 3.3Å; R62-K64 PolarHBondContact O-N 3.06Å; R62-F65 WeakPolarHBondContact O-CB 3.37Å; R62-F65 PolarHBondContact O-N 3.29Å; R62-F65 VanDerWaalsContact O-N 3.08Å; R62-E66 HydrophobicContact CG-CG 4.21Å; R62-E66 VanDerWaalsContact O-CG 3.28Å; R62-E66 WeakPolarHBondContact O-CG 3.27Å; R62-E66 PolarHBondContact O-N 2.93Å
63L88.5Confident86.6Confident14 Ų1466.1 Ų66.17%0.07332%0.315CS..Hα-helixtrans-59.7-41.5178.7179.765.4000111.5L33 L36 L52 E59 F65 E66 L67 I101 T121L33-L63 HydrophobicContact CD2-CD1 3.75Å; L36-L63 HydrophobicContact CD1-CD1 4.11Å; L52-L63 HydrophobicContact CB-CD2 4.29Å; L52-L63 HydrophobicContact CD2-CD2 4.41Å; E59-L63 WeakPolarHBondContact O-CB 3.15Å; E59-L63 PolarHBondContact O-N 3.37Å; L63-F65 VanDerWaalsContact C-N 3.31Å; L63-F65 PolarHBondContact O-N 2.97Å; L63-E66 PolarHBondContact O-N 2.84Å; L63-L67 HydrophobicContact CD1-CD1 3.95Å; L63-L67 HydrophobicContact CD1-CG 4.03Å; L63-L67 HydrophobicContact CG-CD1 3.9Å; L63-L67 HydrophobicContact CG-CG 4.35Å; L63-L67 WeakPolarHBondContact O-CB 3.32Å; L63-L67 VanDerWaalsContact O-CG 3.31Å; L63-L67 WeakPolarHBondContact O-CG 3.49Å; L63-L67 PolarHBondContact O-N 2.94Å; L63-I101 HydrophobicContact CD2-CD1 4.38Å; L63-I101 HydrophobicContact CD2-CG2 4.16Å; L63-I101 HydrophobicContact CG-CD1 4.31Å; L63-T121 HydrophobicContact CD2-CG2 3.8Å
64K91.6Very high86.5Confident86 Ų8666.6 Ų66.637%0.37432%0.318SS..Hα-helixtrans-58.8-43.9174.2176.8172.6174.5-1730111.9A60 E61 R62 A68 L76 I101A60-K64 WeakPolarHBondContact O-CB 3.23Å; A60-K64 PolarHBondContact O-N 3.2Å; E61-K64 PolarHBondContact O-N 3.07Å; R62-K64 VanDerWaalsContact C-N 3.3Å; R62-K64 PolarHBondContact O-N 3.06Å; K64-A68 WeakPolarHBondContact O-CB 3.37Å; K64-A68 PolarHBondContact O-N 3.45Å; K64-A68 VanDerWaalsContact O-N 3.09Å; K64-L76 HydrophobicContact CD-CB 3.57Å; K64-L76 HydrophobicContact CD-CD2 4.4Å; K64-I101 HydrophobicContact CB-CD1 3.82Å
65F87.1Confident86.4Confident128 Ų12868 Ų6856%0.56133%0.326SS*.Hα-helixtrans-64.5-48.9178.4-176.6-91.5000111.3E61 R62 L63 L67 A68 E69E61-F65 PolarHBondContact O-N 3.25Å; R62-F65 WeakPolarHBondContact O-CB 3.37Å; R62-F65 PolarHBondContact O-N 3.29Å; R62-F65 VanDerWaalsContact O-N 3.08Å; L63-F65 VanDerWaalsContact C-N 3.31Å; L63-F65 PolarHBondContact O-N 2.97Å; F65-L67 PolarHBondContact O-N 2.86Å; F65-A68 WeakPolarHBondContact O-CB 3.25Å; F65-A68 PolarHBondContact O-N 3.34Å; F65-A68 VanDerWaalsContact O-N 3.12Å; F65-E69 HydrophobicContact CD1-CG 4.32Å; F65-E69 VanDerWaalsContact CE1-CD 3.49Å; F65-E69 HydrophobicContact CE1-CG 3.92Å; F65-E69 WeakPolarHBondContact CE1-OE1 3.35Å; F65-E69 HydrophobicContact CZ-CG 4.29Å; F65-E69 PolarHBondContact O-N 3.48Å
66E89.3Confident86.5Confident39 Ų3966.5 Ų66.518%0.18232%0.319CS..Hα-helixtrans-63.3-36.5-179-70.1-75.1176.600113.4L33 R62 L63 R70L33-E66 HydrophobicContact CD1-CB 3.98Å; L33-E66 HydrophobicContact CD1-CG 3.96Å; L33-E66 HydrophobicContact CD2-CB 3.95Å; R62-E66 HydrophobicContact CG-CG 4.21Å; R62-E66 VanDerWaalsContact O-CG 3.28Å; R62-E66 WeakPolarHBondContact O-CG 3.27Å; R62-E66 PolarHBondContact O-N 2.93Å; L63-E66 PolarHBondContact O-N 2.84Å; E66-R70 PolarHBondContact O-N 2.97Å; E66-R70 PolarHBondContact O-NH1 3.48Å; E66-R70 IonicContact OE2-CZ 2.61Å; E66-R70 IonicContact OE2-NH1 3.32Å; E66-R70 PolarHBondContact OE2-NH1 3.33Å
67L86.5Confident86.4Confident0 Ų062.2 Ų62.20%030%0.299CS..Hα-helixtrans-72.7-33.9174.3-73.3177000111.9L36 A37 L40 L52 L63 F65 R70 D71 V72 T74 I101L36-L67 HydrophobicContact CB-CD2 4.12Å; A37-L67 HydrophobicContact CB-CD2 4.28Å; L40-L67 HydrophobicContact CD1-CD1 3.99Å; L40-L67 HydrophobicContact CD1-CD2 4.25Å; L52-L67 HydrophobicContact CD1-CD1 4.2Å; L63-L67 HydrophobicContact CD1-CD1 3.95Å; L63-L67 HydrophobicContact CD1-CG 4.03Å; L63-L67 HydrophobicContact CG-CD1 3.9Å; L63-L67 HydrophobicContact CG-CG 4.35Å; L63-L67 WeakPolarHBondContact O-CB 3.32Å; L63-L67 VanDerWaalsContact O-CG 3.31Å; L63-L67 WeakPolarHBondContact O-CG 3.49Å; L63-L67 PolarHBondContact O-N 2.94Å; F65-L67 PolarHBondContact O-N 2.86Å; L67-R70 CarbonylContact O-C 3.48Å; L67-R70 WeakPolarHBondContact O-CA 3.31Å; L67-R70 PolarHBondContact O-N 2.88Å; L67-R70 VanDerWaalsContact O-N 3.12Å; L67-D71 PolarHBondContact O-N 3.29Å; L67-V72 CarbonylContact C-O 3.53Å; L67-V72 HydrophobicContact CB-CB 4.21Å; L67-V72 PolarHBondContact O-N 3.21Å; L67-T74 HydrophobicContact CB-CG2 4.36Å; L67-T74 HydrophobicContact CD1-CG2 3.82Å; L67-I101 HydrophobicContact CD1-CD1 4.29Å
68A83.8Confident85.8Confident53 Ų5363 Ų6344%0.43831%0.306SS..Hα-helixtrans-68.2-36.217500000112.3K64 F65 R70 D71K64-A68 WeakPolarHBondContact O-CB 3.37Å; K64-A68 PolarHBondContact O-N 3.45Å; K64-A68 VanDerWaalsContact O-N 3.09Å; F65-A68 WeakPolarHBondContact O-CB 3.25Å; F65-A68 PolarHBondContact O-N 3.34Å; F65-A68 VanDerWaalsContact O-N 3.12Å; A68-R70 PolarHBondContact O-N 3.01Å; A68-D71 PolarHBondContact O-N 3.3Å; A68-D71 VanDerWaalsContact O-N 3.11Å
69E84.9Confident85.1Confident125 Ų12559.1 Ų59.158%0.58429%0.293SS*.Hα-helixtrans-63-24.2171.1-69.1-160141.500112.5F65F65-E69 HydrophobicContact CD1-CG 4.32Å; F65-E69 VanDerWaalsContact CE1-CD 3.49Å; F65-E69 HydrophobicContact CE1-CG 3.92Å; F65-E69 WeakPolarHBondContact CE1-OE1 3.35Å; F65-E69 HydrophobicContact CZ-CG 4.29Å; F65-E69 PolarHBondContact O-N 3.48Å
70R85.9Confident84.1Confident43 Ų4365.8 Ų65.816%0.16232%0.324CS..THydrogen-bonded Turntrans-99.430.2174.4-64.1169.5177.179-1.5111.7D34 A37 R41 E66 L67 A68 V72D34-R70 IonicContact OD1-CZ 2.82Å; D34-R70 IonicContact OD1-NE 3.13Å; D34-R70 PolarHBondContact OD1-NE 3.05Å; D34-R70 IonicContact OD1-NH2 2.7Å; A37-R70 HydrophobicContact CB-CB 3.73Å; A37-R70 HydrophobicContact CB-CG 4.39Å; R41-R70 PolarHBondContact NE-O 3.22Å; R41-R70 PolarHBondContact NH2-O 2.87Å; E66-R70 PolarHBondContact O-N 2.97Å; E66-R70 PolarHBondContact O-NH1 3.48Å; E66-R70 IonicContact OE2-CZ 2.61Å; E66-R70 IonicContact OE2-NH1 3.32Å; E66-R70 PolarHBondContact OE2-NH1 3.33Å; L67-R70 CarbonylContact O-C 3.48Å; L67-R70 WeakPolarHBondContact O-CA 3.31Å; L67-R70 PolarHBondContact O-N 2.88Å; L67-R70 VanDerWaalsContact O-N 3.12Å; A68-R70 PolarHBondContact O-N 3.01Å; R70-V72 WeakPolarHBondContact O-CG2 3.47Å; R70-V72 PolarHBondContact O-N 2.91Å
71D81.3Confident83Confident139 Ų13967 Ų6774%0.74334%0.337SS*.THydrogen-bonded Turntrans53.526.1174.5-67.1-38.1000115.2L67 A68L67-D71 PolarHBondContact O-N 3.29Å; A68-D71 PolarHBondContact O-N 3.3Å; A68-D71 VanDerWaalsContact O-N 3.11Å
72V82.4Confident81.9Confident13 Ų1367.2 Ų67.28%0.07936%0.357CS..  trans-106.4113.6174.1-178.10000109.5A37 L40 R41 L67 R70 T74A37-V72 HydrophobicContact CB-CG2 3.87Å; L40-V72 HydrophobicContact CB-CG1 3.84Å; L40-V72 HydrophobicContact CD1-CG1 3.76Å; L40-V72 HydrophobicContact CG-CG1 4.44Å; R41-V72 HydrophobicContact CG-CG2 3.93Å; L67-V72 CarbonylContact C-O 3.53Å; L67-V72 HydrophobicContact CB-CB 4.21Å; L67-V72 PolarHBondContact O-N 3.21Å; R70-V72 WeakPolarHBondContact O-CG2 3.47Å; R70-V72 PolarHBondContact O-N 2.91Å; V72-T74 HydrophobicContact CG1-CG2 3.93Å; V72-T74 PolarHBondContact O-N 3.49Å
73N81.4Confident81Confident120 Ų12064.4 Ų64.464%0.64235%0.352SS*.  trans-82.1117.3177.7-72.1-48.9000110.6Q98N73-Q98 HydrophobicContact CB-CG 4.34Å
74T89.5Confident80.6Confident10 Ų1064.4 Ų64.46%0.06135%0.353CS..EExtended strand (participates in β ladder)trans-126157.218059.80000111.5L52 L67 V72 A99 I101L52-T74 HydrophobicContact CD1-CG2 4.36Å; L67-T74 HydrophobicContact CB-CG2 4.36Å; L67-T74 HydrophobicContact CD1-CG2 3.82Å; V72-T74 HydrophobicContact CG1-CG2 3.93Å; V72-T74 PolarHBondContact O-N 3.49Å; T74-A99 WeakPolarHBondContact CA-O 3.39Å; T74-A99 HydrophobicContact CG2-CB 4.23Å; T74-I101 HydrophobicContact CG2-CD1 4.08Å; T74-I101 HydrophobicContact CG2-CG1 4.46Å; T74-I101 VanDerWaalsContact OG1-CD1 3.24Å; T74-I101 WeakPolarHBondContact OG1-CD1 3.26Å
75I89.3Confident79.9Confident32 Ų3262.9 Ų62.916%0.16436%0.361CS..EExtended strand (participates in β ladder)trans-111.2120.8174.1-71.7166.9000108.3V87 I96 Q98 A99 L100 I101I75-V87 HydrophobicContact CG2-CG1 3.93Å; I75-I96 HydrophobicContact CD1-CB 4.42Å; I75-I96 HydrophobicContact CD1-CD1 4.34Å; I75-I96 HydrophobicContact CD1-CG2 3.05Å; I75-I96 HydrophobicContact CG1-CG2 4.48Å; I75-Q98 HydrophobicContact CD1-CB 3.91Å; I75-Q98 HydrophobicContact CD1-CG 4.45Å; I75-Q98 HydrophobicContact CG1-CB 4.04Å; I75-A99 PolarHBondContact N-O 2.68Å; I75-L100 HydrophobicContact CB-CD1 4.45Å; I75-L100 HydrophobicContact CG2-CD1 4.05Å; I75-L100 CarbonylContact O-C 3.56Å; I75-L100 WeakPolarHBondContact O-CA 3.48Å; I75-I101 PolarHBondContact O-N 3.03Å
76L89.5Confident79.6Confident23 Ų2362 Ų6212%0.1236%0.359CS..EExtended strand (participates in β ladder)trans-86.3130169.4174.767.7000109.1A60 E61 K64 P78 I101A60-L76 HydrophobicContact CB-CD1 3.46Å; A60-L76 VanDerWaalsContact CB-CD1 3.46Å; E61-L76 HydrophobicContact CB-CD2 4.36Å; E61-L76 HydrophobicContact CG-CD2 3.5Å; K64-L76 HydrophobicContact CD-CB 3.57Å; K64-L76 HydrophobicContact CD-CD2 4.4Å; L76-P78 VanDerWaalsContact O-CD 3.27Å; L76-P78 WeakPolarHBondContact O-CD 3.47Å; L76-I101 WeakPolarHBondContact CA-O 3.41Å; L76-I101 HydrophobicContact CD1-CB 4.11Å; L76-I101 HydrophobicContact CD1-CG2 3.95Å
77L84Confident79.3Confident1 Ų162 Ų621%0.00536%0.361CS..  trans-89.2103.7170.7-160.677.4000108.9V84 V87 L88 L100 I101 L102 M106L77-V84 HydrophobicContact CD1-CB 4.48Å; L77-V84 HydrophobicContact CD1-CG1 4.15Å; L77-V84 HydrophobicContact CD1-CG2 4.37Å; L77-V84 HydrophobicContact CD2-CG1 4.06Å; L77-V84 HydrophobicContact CG-CG1 4.17Å; L77-V84 HydrophobicContact CG-CG2 4.27Å; L77-V87 HydrophobicContact CD1-CB 4.22Å; L77-V87 HydrophobicContact CD1-CG1 4.01Å; L77-L88 HydrophobicContact CD1-CD2 4.24Å; L77-L88 HydrophobicContact CD1-CG 3.96Å; L77-L88 HydrophobicContact CD2-CD1 4.05Å; L77-L88 HydrophobicContact CD2-CD2 3.97Å; L77-L88 HydrophobicContact CD2-CG 4.08Å; L77-L100 HydrophobicContact CB-CD1 4.19Å; L77-L100 HydrophobicContact CD1-CD1 4.36Å; L77-I101 PolarHBondContact N-O 3.16Å; L77-L102 HydrophobicContact CB-CB 4.33Å; L77-M106 HydrophobicContact CD2-CB 4.34Å; L77-M106 HydrophobicContact CD2-CE 3.61Å; L77-M106 HydrophobicContact CG-CE 3.93Å
78P72.6Confident79.2Confident60 Ų6062.5 Ų62.539%0.3936%0.364SS..  trans-74140.2-174.630-34.2000111L76 H80 G81 V84L76-P78 VanDerWaalsContact O-CD 3.27Å; L76-P78 WeakPolarHBondContact O-CD 3.47Å; P78-H80 PolarHBondContact O-N 2.97Å; P78-G81 PolarHBondContact O-N 3.48Å; P78-V84 WeakPolarHBondContact O-CG2 3.26Å
79P68.8Low79.1Confident41 Ų4164.8 Ų64.827%0.26637%0.368SS..THydrogen-bonded Turntrans-61.6129171.225.1-31.4000110.4N57 G81 M106N57-P79 HydrophobicContact CB-CG 3.98Å; N57-P79 WeakPolarHBondContact OD1-CD 3.49Å; P79-G81 PolarHBondContact O-N 2.98Å; P79-M106 VanDerWaalsContact CA-SD 3.51Å; P79-M106 HydrophobicContact CB-SD 4.01Å
80H66.1Low78.9Confident180 Ų18062.6 Ų62.683%0.83336%0.36SS*.THydrogen-bonded Turntrans67.922.1179-42.7-68000116.6P78P78-H80 PolarHBondContact O-N 2.97Å
81G64.8Low78.9Confident27 Ų2760.5 Ų60.528%0.27835%0.352SS..  trans-72.8128.9172.900000113.1P78 P79 M83 V84P78-G81 PolarHBondContact O-N 3.48Å; P79-G81 PolarHBondContact O-N 2.98Å; G81-M83 PolarHBondContact O-N 3.39Å; G81-V84 WeakPolarHBondContact O-CB 3.05Å; G81-V84 WeakPolarHBondContact O-CG2 3.42Å; G81-V84 PolarHBondContact O-N 3.4Å
82A64.2Low78.9Confident108 Ų10855.6 Ų55.689%0.89333%0.329SS*.THydrogen-bonded Turntrans-58.7-16.1175.700000114.3
83M69Low78.8Confident111 Ų11161.8 Ų61.855%0.54736%0.355SS..THydrogen-bonded Turntrans-100.50.7-179.8-58.3-68.1-8900113.4G81 G85 Q86 V87G81-M83 PolarHBondContact O-N 3.39Å; M83-G85 VanDerWaalsContact C-N 3.33Å; M83-G85 PolarHBondContact O-N 3.26Å; M83-Q86 PolarHBondContact O-N 2.98Å; M83-Q86 PolarHBondContact SD-OE1 3.37Å; M83-V87 HydrophobicContact CB-CG2 4.45Å; M83-V87 WeakPolarHBondContact O-CG2 3.21Å; M83-V87 PolarHBondContact O-N 3.4Å
84V80.2Confident78.4Confident13 Ų1357.7 Ų57.78%0.07934%0.34CS..Hα-helixtrans-53.3-49.3-177164.30000111.2L77 P78 G81 Q86 V87 L88 M106 H109L77-V84 HydrophobicContact CD1-CB 4.48Å; L77-V84 HydrophobicContact CD1-CG1 4.15Å; L77-V84 HydrophobicContact CD1-CG2 4.37Å; L77-V84 HydrophobicContact CD2-CG1 4.06Å; L77-V84 HydrophobicContact CG-CG1 4.17Å; L77-V84 HydrophobicContact CG-CG2 4.27Å; P78-V84 WeakPolarHBondContact O-CG2 3.26Å; G81-V84 WeakPolarHBondContact O-CB 3.05Å; G81-V84 WeakPolarHBondContact O-CG2 3.42Å; G81-V84 PolarHBondContact O-N 3.4Å; V84-Q86 VanDerWaalsContact C-N 3.32Å; V84-Q86 PolarHBondContact O-N 3.16Å; V84-V87 PolarHBondContact O-N 3.05Å; V84-L88 HydrophobicContact CG1-CD1 3.84Å; V84-L88 WeakPolarHBondContact O-CB 3.38Å; V84-L88 WeakPolarHBondContact O-CG 3.5Å; V84-L88 PolarHBondContact O-N 3.02Å; V84-M106 HydrophobicContact CB-CE 4.44Å; V84-M106 HydrophobicContact CG1-CE 3.69Å; V84-M106 HydrophobicContact CG2-CE 3.84Å; V84-H109 HydrophobicContact CG1-CB 4.36Å
85G78.1Confident77.8Confident54 Ų5465.8 Ų65.856%0.55737%0.371SS*.Hα-helixtrans-62.6-35.4178.500000113.6M83 L89M83-G85 VanDerWaalsContact C-N 3.33Å; M83-G85 PolarHBondContact O-N 3.26Å; G85-L89 VanDerWaalsContact O-CB 3.24Å; G85-L89 WeakPolarHBondContact O-CB 3.2Å; G85-L89 PolarHBondContact O-N 2.95Å
86Q79.9Confident77.5Confident111 Ų11165.9 Ų65.952%0.51937%0.372SS..Hα-helixtrans-73.2-40.8177.5-68.2-1771.400112.1M83 V84 L89 L90M83-Q86 PolarHBondContact O-N 2.98Å; M83-Q86 PolarHBondContact SD-OE1 3.37Å; V84-Q86 VanDerWaalsContact C-N 3.32Å; V84-Q86 PolarHBondContact O-N 3.16Å; Q86-L89 PolarHBondContact O-N 2.96Å; Q86-L90 WeakPolarHBondContact O-CB 3.32Å; Q86-L90 VanDerWaalsContact O-CG 3.27Å; Q86-L90 WeakPolarHBondContact O-CG 3.48Å; Q86-L90 PolarHBondContact O-N 2.82Å
87V82.6Confident76.9Confident37 Ų3767.7 Ų67.722%0.22438%0.382CS..Hα-helixtrans-64.9-45.7177.6173.50000110.3I75 L77 M83 V84 L89 L90 W91I75-V87 HydrophobicContact CG2-CG1 3.93Å; L77-V87 HydrophobicContact CD1-CB 4.22Å; L77-V87 HydrophobicContact CD1-CG1 4.01Å; M83-V87 HydrophobicContact CB-CG2 4.45Å; M83-V87 WeakPolarHBondContact O-CG2 3.21Å; M83-V87 PolarHBondContact O-N 3.4Å; V84-V87 PolarHBondContact O-N 3.05Å; V87-L89 VanDerWaalsContact C-N 3.33Å; V87-L89 PolarHBondContact O-N 3.19Å; V87-L90 PolarHBondContact O-N 3.26Å; V87-W91 WeakPolarHBondContact O-CB 3.43Å; V87-W91 PolarHBondContact O-N 3.48Å
88L84.7Confident77Confident12 Ų1271.5 Ų71.56%0.06340%0.399CS..Hα-helixtrans-62.7-39175.4-74.1171.9000112.2L77 V84 S92 L100 H109 L110L77-L88 HydrophobicContact CD1-CD2 4.24Å; L77-L88 HydrophobicContact CD1-CG 3.96Å; L77-L88 HydrophobicContact CD2-CD1 4.05Å; L77-L88 HydrophobicContact CD2-CD2 3.97Å; L77-L88 HydrophobicContact CD2-CG 4.08Å; V84-L88 HydrophobicContact CG1-CD1 3.84Å; V84-L88 WeakPolarHBondContact O-CB 3.38Å; V84-L88 WeakPolarHBondContact O-CG 3.5Å; V84-L88 PolarHBondContact O-N 3.02Å; L88-S92 WeakPolarHBondContact O-CB 3.48Å; L88-S92 PolarHBondContact O-N 3.37Å; L88-S92 PolarHBondContact O-OG 2.91Å; L88-L100 HydrophobicContact CD2-CD2 3.81Å; L88-H109 WeakPolarHBondContact CD1-O 3.5Å; L88-L110 HydrophobicContact CD2-CD2 4.47Å
89L81.1Confident77.8Confident100 Ų10069.2 Ų69.252%0.52439%0.385SS..Hα-helixtrans-64.7-45175.4-176.565.8000111.9G85 Q86 V87 S92 K93G85-L89 VanDerWaalsContact O-CB 3.24Å; G85-L89 WeakPolarHBondContact O-CB 3.2Å; G85-L89 PolarHBondContact O-N 2.95Å; Q86-L89 PolarHBondContact O-N 2.96Å; V87-L89 VanDerWaalsContact C-N 3.33Å; V87-L89 PolarHBondContact O-N 3.19Å; L89-S92 WeakPolarHBondContact CA-OG 3.46Å; L89-S92 PolarHBondContact O-OG 2.83Å; L89-K93 HydrophobicContact CD1-CG 4.4Å; L89-K93 WeakPolarHBondContact O-CB 3.42Å; L89-K93 WeakPolarHBondContact O-CG 3.38Å; L89-K93 PolarHBondContact O-N 2.84Å; L89-K93 VanDerWaalsContact O-N 3.07Å
90L81.4Confident78.9Confident79 Ų7967.2 Ų67.241%0.41437%0.372SS..Hα-helixtrans-67.7-38.5179.1-70.2173000112Q86 V87 G94 Y95 I96Q86-L90 WeakPolarHBondContact O-CB 3.32Å; Q86-L90 VanDerWaalsContact O-CG 3.27Å; Q86-L90 WeakPolarHBondContact O-CG 3.48Å; Q86-L90 PolarHBondContact O-N 2.82Å; V87-L90 PolarHBondContact O-N 3.26Å; L90-G94 PolarHBondContact O-N 3.05Å; L90-Y95 HydrophobicContact CD2-CD2 3.87Å; L90-Y95 HydrophobicContact CD2-CG 4.25Å; L90-Y95 WeakPolarHBondContact O-CB 3.34Å; L90-Y95 PolarHBondContact O-N 2.94Å; L90-I96 HydrophobicContact CB-CD1 3.56Å; L90-I96 HydrophobicContact CB-CG1 3.95Å; L90-I96 HydrophobicContact CD1-CD1 4.34Å; L90-I96 PolarHBondContact O-N 3.29Å
91W87.1Confident80.1Confident0 Ų058.7 Ų58.70%033%0.333CS..Hα-helixtrans-68.3-47.9176.6-170.388.2000112.1K49 T50 I51 V87 K93 G94 I96 Q98 L100 V113 A115K49-W91 HydrophobicContact CB-CH2 3.68Å; K49-W91 HydrophobicContact CB-CZ2 3.76Å; K49-W91 HydrophobicContact CB-CZ3 4.44Å; K49-W91 HydrophobicContact CD-CH2 4.36Å; K49-W91 HydrophobicContact CD-CZ3 4.35Å; K49-W91 WeakPolarHBondContact CE-O 3.47Å; K49-W91 HydrophobicContact CG-CH2 4.24Å; K49-W91 HydrophobicContact CG-CZ2 4.16Å; T50-W91 WeakPolarHBondContact O-CZ2 3.28Å; I51-W91 HydrophobicContact CD1-CH2 4.04Å; I51-W91 HydrophobicContact CD1-CZ3 4.38Å; I51-W91 HydrophobicContact CG1-CH2 3.6Å; I51-W91 HydrophobicContact CG1-CZ2 4.18Å; I51-W91 HydrophobicContact CG1-CZ3 4.36Å; V87-W91 WeakPolarHBondContact O-CB 3.43Å; V87-W91 PolarHBondContact O-N 3.48Å; W91-K93 PolarHBondContact O-N 2.83Å; W91-G94 PolarHBondContact O-N 3.22Å; W91-I96 HydrophobicContact CB-CB 4.29Å; W91-Q98 PolarHBondContact NE1-O 3.23Å; W91-L100 HydrophobicContact CD2-CB 4.35Å; W91-L100 HydrophobicContact CD2-CD2 4.23Å; W91-L100 HydrophobicContact CE3-CD2 4.28Å; W91-L100 HydrophobicContact CZ2-CB 3.91Å; W91-V113 HydrophobicContact CZ3-CB 4.27Å; W91-V113 HydrophobicContact CZ3-CG2 4.42Å; W91-A115 HydrophobicContact CH2-CB 4.4Å
92S80.8Confident81.4Confident35 Ų3557.4 Ų57.425%0.24532%0.319CS..Hα-helixtrans-62.3-30.2176.260.80000113.1K49 L88 L89 G94K49-S92 PolarHBondContact NZ-O 2.77Å; L88-S92 WeakPolarHBondContact O-CB 3.48Å; L88-S92 PolarHBondContact O-N 3.37Å; L88-S92 PolarHBondContact O-OG 2.91Å; L89-S92 WeakPolarHBondContact CA-OG 3.46Å; L89-S92 PolarHBondContact O-OG 2.83Å; S92-G94 VanDerWaalsContact C-N 3.33Å
93K80.1Confident82.6Confident144 Ų14452.6 Ų52.663%0.62628%0.28SS*.THydrogen-bonded Turntrans-83.2-1.4174.7-67.2-68.4-178.7-173.60114.6L89 W91 Y95L89-K93 HydrophobicContact CD1-CG 4.4Å; L89-K93 WeakPolarHBondContact O-CB 3.42Å; L89-K93 WeakPolarHBondContact O-CG 3.38Å; L89-K93 PolarHBondContact O-N 2.84Å; L89-K93 VanDerWaalsContact O-N 3.07Å; W91-K93 PolarHBondContact O-N 2.83Å; K93-Y95 VanDerWaalsContact C-N 3.32Å; K93-Y95 HydrophobicContact CB-CD2 3.55Å; K93-Y95 HydrophobicContact CB-CE2 3.57Å; K93-Y95 HydrophobicContact CG-CE2 4.35Å
94G73.5Confident83.4Confident33 Ų3348.9 Ų48.934%0.3426%0.262SS..THydrogen-bonded Turntrans74.518.2179.100000114.4L90 W91 S92 N97L90-G94 PolarHBondContact O-N 3.05Å; W91-G94 PolarHBondContact O-N 3.22Å; S92-G94 VanDerWaalsContact C-N 3.33Å; G94-N97 PolarHBondContact O-OD1 3.07Å; G94-N97 VanDerWaalsContact O-OD1 3.11Å
95Y77.2Confident83.6Confident181 Ų18150.7 Ų50.771%0.7128%0.283SS*.SBendtrans-77.8-15.9168.9-65.4-70000112.1L90 K93L90-Y95 HydrophobicContact CD2-CD2 3.87Å; L90-Y95 HydrophobicContact CD2-CG 4.25Å; L90-Y95 WeakPolarHBondContact O-CB 3.34Å; L90-Y95 PolarHBondContact O-N 2.94Å; K93-Y95 VanDerWaalsContact C-N 3.32Å; K93-Y95 HydrophobicContact CB-CD2 3.55Å; K93-Y95 HydrophobicContact CB-CE2 3.57Å; K93-Y95 HydrophobicContact CG-CE2 4.35Å
96I81.6Confident83.9Confident34 Ų3448.2 Ų48.217%0.17426%0.257CS..  trans-128.9117.7178.8-60.6176.8000107I75 L90 W91 Q98I75-I96 HydrophobicContact CD1-CB 4.42Å; I75-I96 HydrophobicContact CD1-CD1 4.34Å; I75-I96 HydrophobicContact CD1-CG2 3.05Å; I75-I96 HydrophobicContact CG1-CG2 4.48Å; L90-I96 HydrophobicContact CB-CD1 3.56Å; L90-I96 HydrophobicContact CB-CG1 3.95Å; L90-I96 HydrophobicContact CD1-CD1 4.34Å; L90-I96 PolarHBondContact O-N 3.29Å; W91-I96 HydrophobicContact CB-CB 4.29Å; I96-Q98 HydrophobicContact CG2-CB 4.43Å
97N77.9Confident84.1Confident61 Ų6143.2 Ų43.233%0.32623%0.234SC..  trans-107.14.7-177-52.1-25.9000113.3A45 N46 G94A45-N97 WeakPolarHBondContact O-CB 3.34Å; N46-N97 PolarHBondContact OD1-ND2 2.76Å; G94-N97 PolarHBondContact O-OD1 3.07Å; G94-N97 VanDerWaalsContact O-OD1 3.11Å
98Q86.6Confident84Confident81 Ų8147.4 Ų47.438%0.37925%0.251SS..SBendtrans-72.6147.5176.5-66.1178.13.400110.4N73 I75 W91 I96 L100N73-Q98 HydrophobicContact CB-CG 4.34Å; I75-Q98 HydrophobicContact CD1-CB 3.91Å; I75-Q98 HydrophobicContact CD1-CG 4.45Å; I75-Q98 HydrophobicContact CG1-CB 4.04Å; W91-Q98 PolarHBondContact NE1-O 3.23Å; I96-Q98 HydrophobicContact CG2-CB 4.43Å; Q98-L100 PolarHBondContact O-N 3.05Å
99A88.5Confident83.6Confident11 Ų1150.7 Ų50.79%0.09127%0.266CS..EExtended strand (participates in β ladder)trans-62.3135.517500000110.6L40 T50 L52 T74 I75L40-A99 HydrophobicContact CD2-CB 3.93Å; T50-A99 WeakPolarHBondContact O-CA 3.15Å; L52-A99 HydrophobicContact CD1-CB 3.77Å; T74-A99 WeakPolarHBondContact CA-O 3.39Å; T74-A99 HydrophobicContact CG2-CB 4.23Å; I75-A99 PolarHBondContact N-O 2.68Å
100L90.8Very high83.4Confident0 Ų046.3 Ų46.30%024%0.243CC..EExtended strand (participates in β ladder)trans-93.9117.6-176.1-175.269.6000109.8T50 I51 L52 I75 L77 L88 W91 Q98 L102 L110T50-L100 PolarHBondContact O-N 2.99Å; I51-L100 CarbonylContact C-O 3.51Å; I51-L100 WeakPolarHBondContact CA-O 3.35Å; L52-L100 PolarHBondContact N-O 2.83Å; I75-L100 HydrophobicContact CB-CD1 4.45Å; I75-L100 HydrophobicContact CG2-CD1 4.05Å; I75-L100 CarbonylContact O-C 3.56Å; I75-L100 WeakPolarHBondContact O-CA 3.48Å; L77-L100 HydrophobicContact CB-CD1 4.19Å; L77-L100 HydrophobicContact CD1-CD1 4.36Å; L88-L100 HydrophobicContact CD2-CD2 3.81Å; W91-L100 HydrophobicContact CD2-CB 4.35Å; W91-L100 HydrophobicContact CD2-CD2 4.23Å; W91-L100 HydrophobicContact CE3-CD2 4.28Å; W91-L100 HydrophobicContact CZ2-CB 3.91Å; Q98-L100 PolarHBondContact O-N 3.05Å; L100-L102 HydrophobicContact CD2-CD2 4.13Å; L100-L102 HydrophobicContact CG-CD2 4.43Å; L100-L110 HydrophobicContact CD2-CD2 4.49Å
101I92.3Very high83Confident0 Ų044.3 Ų44.30%024%0.242CC..EExtended strand (participates in β ladder)trans-95.8131.6173.5-53.6172.6000108.8L52 A60 L63 K64 L67 T74 I75 L76 L77L52-I101 HydrophobicContact CB-CB 4.45Å; L52-I101 HydrophobicContact CB-CG1 4.01Å; L52-I101 HydrophobicContact CB-CG2 4.5Å; L52-I101 HydrophobicContact CD1-CD1 4.44Å; L52-I101 HydrophobicContact CD1-CG1 3.7Å; L52-I101 WeakPolarHBondContact O-CA 3.46Å; A60-I101 HydrophobicContact CB-CG2 3.73Å; L63-I101 HydrophobicContact CD2-CD1 4.38Å; L63-I101 HydrophobicContact CD2-CG2 4.16Å; L63-I101 HydrophobicContact CG-CD1 4.31Å; K64-I101 HydrophobicContact CB-CD1 3.82Å; L67-I101 HydrophobicContact CD1-CD1 4.29Å; T74-I101 HydrophobicContact CG2-CD1 4.08Å; T74-I101 HydrophobicContact CG2-CG1 4.46Å; T74-I101 VanDerWaalsContact OG1-CD1 3.24Å; T74-I101 WeakPolarHBondContact OG1-CD1 3.26Å; I75-I101 PolarHBondContact O-N 3.03Å; L76-I101 WeakPolarHBondContact CA-O 3.41Å; L76-I101 HydrophobicContact CD1-CB 4.11Å; L76-I101 HydrophobicContact CD1-CG2 3.95Å; L77-I101 PolarHBondContact N-O 3.16Å
102L91.3Very high82.2Confident0 Ų050.4 Ų50.40%028%0.278CS..EExtended strand (participates in β ladder)trans-146.5159.7175.962.291.9000111.7I51 L52 I53 C54 L77 L100 M106 L107 L110I51-L102 HydrophobicContact CG2-CD2 3.61Å; I51-L102 HydrophobicContact CG2-CG 4.1Å; L52-L102 PolarHBondContact O-N 2.99Å; I53-L102 WeakPolarHBondContact CA-O 3.47Å; I53-L102 HydrophobicContact CG1-CD1 4.04Å; I53-L102 HydrophobicContact CG1-CG 4.47Å; I53-L102 HydrophobicContact CG2-CD1 4.19Å; C54-L102 PolarHBondContact N-O 3.23Å; L77-L102 HydrophobicContact CB-CB 4.33Å; L100-L102 HydrophobicContact CD2-CD2 4.13Å; L100-L102 HydrophobicContact CG-CD2 4.43Å; L102-M106 HydrophobicContact CB-CB 4.11Å; L102-L107 HydrophobicContact CD1-CD2 3.69Å; L102-L107 HydrophobicContact CD1-CG 4.2Å; L102-L110 HydrophobicContact CD1-CD1 3.99Å; L102-L110 HydrophobicContact CD2-CD1 3.41Å; L102-L110 VanDerWaalsContact CD2-CD1 3.41Å; L102-L110 HydrophobicContact CD2-CD2 3.97Å; L102-L110 HydrophobicContact CD2-CG 3.9Å; L102-L110 HydrophobicContact CG-CD1 4.37Å
103C90.8Very high81.9Confident8 Ų849.2 Ų49.25%0.05427%0.27CS..EExtended strand (participates in β ladder)trans-101.8168.5172.762.50000112.2C54 G105 M106C54-C103 CarbonylContact O-C 3.59Å; C54-C103 WeakPolarHBondContact O-CA 3.31Å; C103-G105 VanDerWaalsContact C-N 3.25Å; C103-G105 PolarHBondContact O-N 3.47Å; C103-M106 WeakPolarHBondContact O-CB 3.4Å; C103-M106 PolarHBondContact O-N 3.12Å
104D86Confident81.6Confident32 Ų3249.4 Ų49.417%0.17127%0.273CS..G310 helixtrans-53-39.9179.9-77.1-28.1000113.7C54 M106 L107 R132C54-D104 PolarHBondContact O-N 3.28Å; C54-D104 VanDerWaalsContact O-N 3.1Å; D104-M106 PolarHBondContact O-N 3.2Å; D104-L107 HydrophobicContact CB-CD1 4.28Å; D104-L107 WeakPolarHBondContact O-CB 3.29Å; D104-L107 WeakPolarHBondContact O-CG 3.48Å; D104-L107 PolarHBondContact O-N 3.23Å; D104-L107 WeakPolarHBondContact OD1-CD1 3.43Å; D104-R132 IonicContact OD1-CZ 2.76Å; D104-R132 IonicContact OD1-NE 3.46Å; D104-R132 PolarHBondContact OD1-NE 3.14Å; D104-R132 IonicContact OD1-NH2 3.67Å; D104-R132 PolarHBondContact OD1-NH2 3.03Å; D104-R132 IonicContact OD2-CZ 3.6Å; D104-R132 IonicContact OD2-NE 3.43Å; D104-R132 IonicContact OD2-NH2 2.71Å; D104-R132 PolarHBondContact OD2-NH2 3.33Å
105G82.6Confident82Confident51 Ų5148 Ų4853%0.52626%0.258SS..G310 helixtrans-62.8-7.2176.400000115.2C103C103-G105 VanDerWaalsContact C-N 3.25Å; C103-G105 PolarHBondContact O-N 3.47Å
106M85.9Confident82.3Confident3 Ų342.8 Ų42.82%0.01524%0.242CC..G310 helixtrans-105.2-2.9177.5-63.9-55.1-69.700113.5L77 P79 V84 L102 C103 D104 E108 H109 L110L77-M106 HydrophobicContact CD2-CB 4.34Å; L77-M106 HydrophobicContact CD2-CE 3.61Å; L77-M106 HydrophobicContact CG-CE 3.93Å; P79-M106 VanDerWaalsContact CA-SD 3.51Å; P79-M106 HydrophobicContact CB-SD 4.01Å; V84-M106 HydrophobicContact CB-CE 4.44Å; V84-M106 HydrophobicContact CG1-CE 3.69Å; V84-M106 HydrophobicContact CG2-CE 3.84Å; L102-M106 HydrophobicContact CB-CB 4.11Å; C103-M106 WeakPolarHBondContact O-CB 3.4Å; C103-M106 PolarHBondContact O-N 3.12Å; D104-M106 PolarHBondContact O-N 3.2Å; M106-E108 VanDerWaalsContact C-N 3.31Å; M106-E108 PolarHBondContact O-N 2.75Å; M106-H109 HydrophobicContact CE-CB 4.18Å; M106-H109 WeakPolarHBondContact O-CB 3.48Å; M106-H109 PolarHBondContact O-N 3.17Å; M106-H109 VanDerWaalsContact O-N 3.08Å; M106-L110 PolarHBondContact O-N 2.84Å
107L83.7Confident82.5Confident6 Ų641.1 Ų41.13%0.03123%0.234CC..G310 helixtrans-63.9-36.3-178-69.8168.8000112.7I53 L102 D104 H109 L110 R132 W135 L136I53-L107 HydrophobicContact CD1-CD2 4.09Å; L102-L107 HydrophobicContact CD1-CD2 3.69Å; L102-L107 HydrophobicContact CD1-CG 4.2Å; D104-L107 HydrophobicContact CB-CD1 4.28Å; D104-L107 WeakPolarHBondContact O-CB 3.29Å; D104-L107 WeakPolarHBondContact O-CG 3.48Å; D104-L107 PolarHBondContact O-N 3.23Å; D104-L107 WeakPolarHBondContact OD1-CD1 3.43Å; L107-H109 PolarHBondContact O-N 2.86Å; L107-L110 HydrophobicContact CD2-CD1 3.79Å; L107-L110 PolarHBondContact O-N 2.83Å; L107-R132 HydrophobicContact CD1-CB 3.96Å; L107-R132 HydrophobicContact CD1-CG 3.71Å; L107-W135 HydrophobicContact CB-CB 4.04Å; L107-W135 HydrophobicContact CB-CG 4.18Å; L107-L136 HydrophobicContact CD2-CD2 4.3Å
108E79.4Confident83Confident124 Ų12438.2 Ų38.258%0.57922%0.219SC*.G310 helixtrans-64.4-24.9175.669.2-179179.400112.9M106 W135M106-E108 VanDerWaalsContact C-N 3.31Å; M106-E108 PolarHBondContact O-N 2.75Å; E108-W135 HydrophobicContact CB-CH2 4.04Å; E108-W135 HydrophobicContact CB-CZ2 4.11Å; E108-W135 HydrophobicContact CB-CZ3 4.35Å
109H78Confident83.2Confident82 Ų8234.4 Ų34.438%0.3820%0.201SC..G310 helixtrans-87.2-15.8-176-67.683.3000113.2V84 L88 M106 L107 G111V84-H109 HydrophobicContact CG1-CB 4.36Å; L88-H109 WeakPolarHBondContact CD1-O 3.5Å; M106-H109 HydrophobicContact CE-CB 4.18Å; M106-H109 WeakPolarHBondContact O-CB 3.48Å; M106-H109 PolarHBondContact O-N 3.17Å; M106-H109 VanDerWaalsContact O-N 3.08Å; L107-H109 PolarHBondContact O-N 2.86Å; H109-G111 VanDerWaalsContact C-N 3.25Å; H109-G111 PolarHBondContact O-N 2.87Å
110L76.6Confident83.3Confident7 Ų733.9 Ų33.94%0.03720%0.196CC..  trans-60.1-34.6-178.8-94.2140.9000112.3I51 L88 L100 L102 M106 L107 V113I51-L110 HydrophobicContact CD1-CD2 3.76Å; L88-L110 HydrophobicContact CD2-CD2 4.47Å; L100-L110 HydrophobicContact CD2-CD2 4.49Å; L102-L110 HydrophobicContact CD1-CD1 3.99Å; L102-L110 HydrophobicContact CD2-CD1 3.41Å; L102-L110 VanDerWaalsContact CD2-CD1 3.41Å; L102-L110 HydrophobicContact CD2-CD2 3.97Å; L102-L110 HydrophobicContact CD2-CG 3.9Å; L102-L110 HydrophobicContact CG-CD1 4.37Å; M106-L110 PolarHBondContact O-N 2.84Å; L107-L110 HydrophobicContact CD2-CD1 3.79Å; L107-L110 PolarHBondContact O-N 2.83Å; L110-V113 HydrophobicContact CD2-CG2 3.56Å; L110-V113 WeakPolarHBondContact O-CG1 3.25Å
111G72.2Confident83.1Confident38 Ų3834.9 Ų34.939%0.39220%0.203SC..  trans58.3-153.9-172.500000111.6H109 V113 S139H109-G111 VanDerWaalsContact C-N 3.25Å; H109-G111 PolarHBondContact O-N 2.87Å; G111-V113 PolarHBondContact O-N 3.11Å; G111-S139 WeakPolarHBondContact O-CA 3.3Å; G111-S139 WeakPolarHBondContact O-CB 3.41Å; G111-S139 PolarHBondContact O-OG 3.23Å
112V70.1Confident82.7Confident127 Ų12736.7 Ų36.777%0.7721%0.214SC*.SBendtrans-86.5106.7176.1-176.50000109.5
113V75.1Confident82.1Confident11 Ų1139.7 Ų39.77%0.06723%0.229CC..  trans-119.6150.1174.7-66.30000111.6I51 W91 L110 G111 S139I51-V113 HydrophobicContact CD1-CG2 4.15Å; W91-V113 HydrophobicContact CZ3-CB 4.27Å; W91-V113 HydrophobicContact CZ3-CG2 4.42Å; L110-V113 HydrophobicContact CD2-CG2 3.56Å; L110-V113 WeakPolarHBondContact O-CG1 3.25Å; G111-V113 PolarHBondContact O-N 3.11Å; V113-S139 CarbonylContact C-O 3.53Å; V113-S139 WeakPolarHBondContact CA-O 3.26Å; V113-S139 WeakPolarHBondContact CG2-O 2.79Å; V113-S139 PolarHBondContact N-O 3.14Å; V113-S139 CarbonylContact O-C 3.56Å
114E73.8Confident81.5Confident147 Ų14739.9 Ų39.969%0.68723%0.231SC*.  trans-96102.6174.7-156171.3-156.700107.3K49K49-E114 WeakPolarHBondContact CD-O 3.49Å
115A81.3Confident81.1Confident4 Ų445.5 Ų45.53%0.03326%0.256CS..  trans-111.5138175.700000109.2I51 W91 V118 A140 A143I51-A115 HydrophobicContact CD1-CB 3.61Å; I51-A115 HydrophobicContact CG1-CB 3.99Å; W91-A115 HydrophobicContact CH2-CB 4.4Å; A115-V118 HydrophobicContact CB-CG2 4.44Å; A115-A140 HydrophobicContact CB-CB 4.11Å; A115-A143 VanDerWaalsContact O-CB 3.26Å; A115-A143 WeakPolarHBondContact O-CB 3.23Å
116N83.6Confident80.7Confident71 Ų7148.8 Ų48.838%0.3826%0.261SS..SBendtrans-89.7-32.8179.5-58.992.9000111.5E48 K49 E144E48-N116 HydrophobicContact CB-CB 4.26Å; E48-N116 HydrophobicContact CG-CB 4.48Å; K49-N116 PolarHBondContact N-OD1 3Å; K49-N116 PolarHBondContact O-N 2.87Å; N116-E144 PolarHBondContact O-N 2.83Å
117L85.6Confident80.1Confident0 Ų054.5 Ų54.50%029%0.291CS..EExtended strand (participates in β ladder)trans-139.5132.4-178.6179.769.3000109.8T39 K49 T50 I51 I119 E144 L146T39-L117 HydrophobicContact CG2-CD2 4.47Å; K49-L117 PolarHBondContact O-N 2.88Å; T50-L117 CarbonylContact C-O 3.55Å; T50-L117 VanDerWaalsContact CA-O 3.32Å; T50-L117 WeakPolarHBondContact CA-O 3.4Å; T50-L117 HydrophobicContact CG2-CB 4.14Å; T50-L117 HydrophobicContact CG2-CD2 3.86Å; T50-L117 HydrophobicContact CG2-CG 4.1Å; I51-L117 PolarHBondContact N-O 3.15Å; L117-I119 HydrophobicContact CD1-CG1 4.45Å; L117-I119 HydrophobicContact CD2-CD1 3.74Å; L117-I119 HydrophobicContact CD2-CG1 3.78Å; L117-I119 HydrophobicContact CG-CD1 4.35Å; L117-I119 HydrophobicContact CG-CG1 3.83Å; L117-E144 CarbonylContact C-O 3.59Å; L117-E144 WeakPolarHBondContact CA-O 3.47Å; L117-E144 HydrophobicContact CD1-CB 3.93Å; L117-E144 HydrophobicContact CD1-CG 4.05Å; L117-L146 HydrophobicContact CD1-CB 4.14Å
118V88.9Confident79.7Confident0 Ų059.2 Ų59.20%031%0.312CS..EExtended strand (participates in β ladder)trans-117.9122.9170.2177.10000108I51 I53 A115 L136 A140 A143 E144 M145 L146I51-V118 HydrophobicContact CB-CG2 4.34Å; I51-V118 CarbonylContact O-C 3.58Å; I51-V118 WeakPolarHBondContact O-CA 3.35Å; I53-V118 HydrophobicContact CD1-CG1 3.45Å; I53-V118 VanDerWaalsContact CD1-CG1 3.45Å; I53-V118 HydrophobicContact CG1-CG1 4.12Å; A115-V118 HydrophobicContact CB-CG2 4.44Å; V118-L136 HydrophobicContact CG1-CD1 4.06Å; V118-L136 HydrophobicContact CG1-CD2 4.36Å; V118-L136 HydrophobicContact CG2-CD2 4.45Å; V118-A140 HydrophobicContact CG2-CB 4.22Å; V118-A143 HydrophobicContact CG2-CB 3.82Å; V118-E144 PolarHBondContact N-O 2.92Å; V118-M145 HydrophobicContact CB-CE 4.36Å; V118-M145 HydrophobicContact CB-SD 3.58Å; V118-M145 VanDerWaalsContact CB-SD 3.58Å; V118-M145 HydrophobicContact CG1-SD 3.94Å; V118-M145 HydrophobicContact CG2-CE 4.29Å; V118-M145 HydrophobicContact CG2-SD 4.16Å; V118-M145 WeakPolarHBondContact O-CA 3.48Å; V118-L146 PolarHBondContact O-N 2.82Å
119I90.6Very high79.9Confident0 Ų054.3 Ų54.30%029%0.288CS..EExtended strand (participates in β ladder)trans-109.8116.6179.9-49.4179.9000109L36 L40 T50 I51 L52 I53 L117 T121 L146 I148L36-I119 HydrophobicContact CD2-CD1 4.19Å; L36-I119 HydrophobicContact CD2-CG2 3.76Å; L40-I119 HydrophobicContact CD2-CD1 4.27Å; T50-I119 HydrophobicContact CG2-CD1 3.91Å; T50-I119 HydrophobicContact CG2-CG1 4.1Å; I51-I119 PolarHBondContact O-N 3.42Å; L52-I119 WeakPolarHBondContact CA-O 3.45Å; L52-I119 HydrophobicContact CD2-CB 3.97Å; L52-I119 HydrophobicContact CD2-CD1 3.99Å; L52-I119 HydrophobicContact CD2-CG1 4.46Å; L52-I119 HydrophobicContact CD2-CG2 4.26Å; I53-I119 PolarHBondContact N-O 2.88Å; L117-I119 HydrophobicContact CD1-CG1 4.45Å; L117-I119 HydrophobicContact CD2-CD1 3.74Å; L117-I119 HydrophobicContact CD2-CG1 3.78Å; L117-I119 HydrophobicContact CG-CD1 4.35Å; L117-I119 HydrophobicContact CG-CG1 3.83Å; I119-T121 HydrophobicContact CG2-CG2 4.12Å; I119-T121 PolarHBondContact O-N 2.92Å; I119-L146 CarbonylContact C-O 3.45Å; I119-L146 VanDerWaalsContact CA-O 3.26Å; I119-L146 WeakPolarHBondContact CA-O 3.28Å; I119-L146 HydrophobicContact CD1-CD2 4.19Å; I119-L146 HydrophobicContact CG1-CB 4.24Å; I119-L146 HydrophobicContact CG1-CD2 4.17Å; I119-L146 HydrophobicContact CG2-CB 4.39Å; I119-L146 HydrophobicContact CG2-CD2 4.12Å; I119-L146 HydrophobicContact CG2-CG 4.27Å; I119-I148 HydrophobicContact CG2-CD1 4.09Å; I119-I148 HydrophobicContact CG2-CG1 4.33Å
120H90.8Very high79.9Confident0 Ų055.7 Ų55.70%030%0.295CS..EExtended strand (participates in β ladder)trans-85.9102.4171.2-59.1-81000108.6R132 L146 V147 I148H120-R132 WeakPolarHBondContact ND1-CD 3.33Å; H120-R132 PolarHBondContact ND1-NH1 3.21Å; H120-L146 PolarHBondContact N-O 2.81Å; H120-V147 HydrophobicContact CB-CG1 4.36Å; H120-V147 HydrophobicContact CB-CG2 4.26Å; H120-I148 PolarHBondContact O-N 3.33Å
121T87Confident80Confident22 Ų2260.8 Ų60.814%0.13532%0.319CS..SBendtrans-84.5-23.4-178.1580000112.6L36 L52 I53 C54 L63 I119L36-T121 HydrophobicContact CD1-CG2 4.09Å; L36-T121 HydrophobicContact CD2-CG2 4.09Å; L52-T121 HydrophobicContact CD2-CG2 3.78Å; I53-T121 PolarHBondContact O-N 3.39Å; I53-T121 VanDerWaalsContact O-N 3.09Å; I53-T121 PolarHBondContact O-OG1 3.42Å; I53-T121 VanDerWaalsContact O-OG1 3.05Å; C54-T121 PolarHBondContact SG-OG1 3.01Å; L63-T121 HydrophobicContact CD2-CG2 3.8Å; I119-T121 HydrophobicContact CG2-CG2 4.12Å; I119-T121 PolarHBondContact O-N 2.92Å
122T83.1Confident80.8Confident38 Ų3859 Ų5923%0.23330%0.3CS..SBendtrans-134.2136.4170.147.80000109.6C54 Q55 E59 R132C54-T122 WeakPolarHBondContact CA-OG1 3.48Å; Q55-T122 PolarHBondContact N-OG1 3.21Å; E59-T122 WeakPolarHBondContact OE2-CG2 3.47Å; E59-T122 PolarHBondContact OE2-OG1 2.7Å; T122-R132 PolarHBondContact O-NH1 2.9Å
123L79.9Confident81.4Confident62 Ų6255.2 Ų55.233%0.32528%0.275SS..PPolyproline II helixtrans-99.1116.6-179-88.6160.2000109.7F129 V147 T149L123-F129 HydrophobicContact CD2-CD2 3.98Å; L123-F129 HydrophobicContact CD2-CE2 3.77Å; L123-F129 HydrophobicContact CD2-CZ 4.12Å; L123-V147 HydrophobicContact CD1-CG1 3.43Å; L123-V147 VanDerWaalsContact CD1-CG1 3.43Å; L123-V147 HydrophobicContact CD2-CG1 3.72Å; L123-V147 HydrophobicContact CG-CG1 3.64Å; L123-T149 HydrophobicContact CD1-CG2 3.68Å
124P77.4Confident81.7Confident13 Ų1361.8 Ų61.88%0.08430%0.303CS..PPolyproline II helixtrans-81.5170.517435.6-35.4000110.9Q55 K128 F129Q55-P124 HydrophobicContact CG-CB 4.27Å; P124-K128 HydrophobicContact CB-CB 3.88Å; P124-K128 HydrophobicContact CG-CB 4.17Å; P124-F129 HydrophobicContact CG-CB 4Å; P124-F129 HydrophobicContact CG-CD2 4.3Å
125E77Confident82Confident149 Ų14959.1 Ų59.170%0.69629%0.287SS*.PPolyproline II helixtrans-51.7149.9171.2-66.2175-176.600112.1N127 K128 F129E125-N127 VanDerWaalsContact C-N 3.29Å; E125-N127 PolarHBondContact O-N 3.42Å; E125-N127 VanDerWaalsContact O-N 3.09Å; E125-K128 PolarHBondContact O-N 3.23Å; E125-F129 PolarHBondContact O-N 3.5Å
126L74.2Confident82Confident120 Ų12059.1 Ų59.163%0.62829%0.286SS*.Hα-helixtrans-47.6-46.3-170.5-171.969.3000113.5K128 F129 E130L126-K128 PolarHBondContact O-N 3.08Å; L126-F129 WeakPolarHBondContact O-CB 3.31Å; L126-F129 PolarHBondContact O-N 2.84Å; L126-F129 VanDerWaalsContact O-N 3.16Å; L126-E130 WeakPolarHBondContact O-CG 3.36Å; L126-E130 PolarHBondContact O-N 3.03Å
127N73.4Confident81.6Confident123 Ų12359.3 Ų59.366%0.65829%0.293SS*.Hα-helixtrans-61.4-40.2-179.6-65.3-21.1000112.9E125 E131E125-N127 VanDerWaalsContact C-N 3.29Å; E125-N127 PolarHBondContact O-N 3.42Å; E125-N127 VanDerWaalsContact O-N 3.09Å; N127-E131 PolarHBondContact O-N 3.06Å
128K76.1Confident80.8Confident106 Ų10663.3 Ų63.346%0.46131%0.314SS..Hα-helixtrans-75.8-32176.8-74-174.6180175.50111.6P124 E125 L126 E131 R132P124-K128 HydrophobicContact CB-CB 3.88Å; P124-K128 HydrophobicContact CG-CB 4.17Å; E125-K128 PolarHBondContact O-N 3.23Å; L126-K128 PolarHBondContact O-N 3.08Å; K128-E131 PolarHBondContact O-N 3.36Å; K128-R132 WeakPolarHBondContact O-CB 3.42Å; K128-R132 PolarHBondContact O-N 3.42Å
129F82.3Confident79.8Confident20 Ų2063.5 Ų63.59%0.08832%0.315CS..Hα-helixtrans-66.4-41.7174.1-171.3-115.8000111.2F21 L123 P124 E125 L126 E131 R132 L133F21-F129 HydrophobicContact CE1-CZ 4.39Å; L123-F129 HydrophobicContact CD2-CD2 3.98Å; L123-F129 HydrophobicContact CD2-CE2 3.77Å; L123-F129 HydrophobicContact CD2-CZ 4.12Å; P124-F129 HydrophobicContact CG-CB 4Å; P124-F129 HydrophobicContact CG-CD2 4.3Å; E125-F129 PolarHBondContact O-N 3.5Å; L126-F129 WeakPolarHBondContact O-CB 3.31Å; L126-F129 PolarHBondContact O-N 2.84Å; L126-F129 VanDerWaalsContact O-N 3.16Å; F129-E131 PolarHBondContact O-N 3.43Å; F129-R132 WeakPolarHBondContact O-CB 3.22Å; F129-R132 PolarHBondContact O-N 3.43Å; F129-L133 HydrophobicContact CD1-CD1 4.02Å; F129-L133 HydrophobicContact CD1-CG 4.45Å; F129-L133 HydrophobicContact CE1-CD1 3.69Å; F129-L133 HydrophobicContact CE1-CG 4.2Å; F129-L133 HydrophobicContact CZ-CD1 4.19Å; F129-L133 HydrophobicContact CZ-CD2 4.24Å; F129-L133 HydrophobicContact CZ-CG 4.29Å; F129-L133 WeakPolarHBondContact O-CG 3.49Å; F129-L133 PolarHBondContact O-N 3.45Å
130E79.3Confident78.7Confident112 Ų11263.6 Ų63.652%0.52332%0.316SS..Hα-helixtrans-61.4-41.5173-73.5-178.6178.800112.2L126 L133 K134L126-E130 WeakPolarHBondContact O-CG 3.36Å; L126-E130 PolarHBondContact O-N 3.03Å; E130-L133 PolarHBondContact O-N 3.46Å; E130-K134 PolarHBondContact O-N 3.24Å
131E79.4Confident77.4Confident114 Ų11472.7 Ų72.753%0.53335%0.35SS..Hα-helixtrans-61.7-44.8173.6-171.3-178.3-179.900111.8N127 K128 F129 L133 K134 W135N127-E131 PolarHBondContact O-N 3.06Å; K128-E131 PolarHBondContact O-N 3.36Å; F129-E131 PolarHBondContact O-N 3.43Å; E131-L133 VanDerWaalsContact C-N 3.32Å; E131-L133 PolarHBondContact O-N 3.26Å; E131-K134 WeakPolarHBondContact O-CB 3.37Å; E131-K134 PolarHBondContact O-N 3.15Å; E131-W135 VanDerWaalsContact O-CD1 3.25Å; E131-W135 PolarHBondContact O-N 3.48Å; E131-W135 VanDerWaalsContact O-N 3.11Å
132R87.6Confident76.4Confident1 Ų179.6 Ų79.60%0.00439%0.386CS..Hα-helixtrans-57.3-45.7174.6176.3-173.4-64.8-177.2-5.2111.2D104 L107 H120 T122 K128 F129 K134 W135 L136D104-R132 IonicContact OD1-CZ 2.76Å; D104-R132 IonicContact OD1-NE 3.46Å; D104-R132 PolarHBondContact OD1-NE 3.14Å; D104-R132 IonicContact OD1-NH2 3.67Å; D104-R132 PolarHBondContact OD1-NH2 3.03Å; D104-R132 IonicContact OD2-CZ 3.6Å; D104-R132 IonicContact OD2-NE 3.43Å; D104-R132 IonicContact OD2-NH2 2.71Å; D104-R132 PolarHBondContact OD2-NH2 3.33Å; L107-R132 HydrophobicContact CD1-CB 3.96Å; L107-R132 HydrophobicContact CD1-CG 3.71Å; H120-R132 WeakPolarHBondContact ND1-CD 3.33Å; H120-R132 PolarHBondContact ND1-NH1 3.21Å; T122-R132 PolarHBondContact O-NH1 2.9Å; K128-R132 WeakPolarHBondContact O-CB 3.42Å; K128-R132 PolarHBondContact O-N 3.42Å; F129-R132 WeakPolarHBondContact O-CB 3.22Å; F129-R132 PolarHBondContact O-N 3.43Å; R132-K134 VanDerWaalsContact C-N 3.34Å; R132-K134 PolarHBondContact O-N 3.23Å; R132-W135 PolarHBondContact O-N 3.13Å; R132-L136 HydrophobicContact CG-CD1 3.96Å; R132-L136 WeakPolarHBondContact O-CG 3.38Å; R132-L136 PolarHBondContact O-N 2.84Å
133L83.2Confident76.2Confident47 Ų4778 Ų7825%0.24638%0.377CS..Hα-helixtrans-64.9-36.8177.6-70-179.1000112.4F21 F129 E130 E131 W135 L136 S137F21-L133 HydrophobicContact CE1-CD2 3.72Å; F21-L133 HydrophobicContact CZ-CD1 4.1Å; F21-L133 HydrophobicContact CZ-CD2 3.61Å; F129-L133 HydrophobicContact CD1-CD1 4.02Å; F129-L133 HydrophobicContact CD1-CG 4.45Å; F129-L133 HydrophobicContact CE1-CD1 3.69Å; F129-L133 HydrophobicContact CE1-CG 4.2Å; F129-L133 HydrophobicContact CZ-CD1 4.19Å; F129-L133 HydrophobicContact CZ-CD2 4.24Å; F129-L133 HydrophobicContact CZ-CG 4.29Å; F129-L133 WeakPolarHBondContact O-CG 3.49Å; F129-L133 PolarHBondContact O-N 3.45Å; E130-L133 PolarHBondContact O-N 3.46Å; E131-L133 VanDerWaalsContact C-N 3.32Å; E131-L133 PolarHBondContact O-N 3.26Å; L133-W135 PolarHBondContact O-N 3.15Å; L133-L136 PolarHBondContact O-N 2.62Å; L133-S137 WeakPolarHBondContact O-CB 3.49Å; L133-S137 PolarHBondContact O-N 3.35Å
134K80.8Confident76.3Confident148 Ų14879 Ų7964%0.64338%0.38SS*.Hα-helixtrans-59.8-46174.4-172.3-179.2179-178.20111.2E130 E131 R132 S137 I138E130-K134 PolarHBondContact O-N 3.24Å; E131-K134 WeakPolarHBondContact O-CB 3.37Å; E131-K134 PolarHBondContact O-N 3.15Å; R132-K134 VanDerWaalsContact C-N 3.34Å; R132-K134 PolarHBondContact O-N 3.23Å; K134-S137 PolarHBondContact O-N 3.23Å; K134-S137 PolarHBondContact O-OG 3.2Å; K134-I138 PolarHBondContact O-N 3.35Å
135W81.2Confident76.7Confident92 Ų9278.7 Ų78.735%0.34838%0.377SS..Hα-helixtrans-65.2-40.5176.5-75.3111.9000112.9L107 E108 E131 R132 L133 I138 S139L107-W135 HydrophobicContact CB-CB 4.04Å; L107-W135 HydrophobicContact CB-CG 4.18Å; E108-W135 HydrophobicContact CB-CH2 4.04Å; E108-W135 HydrophobicContact CB-CZ2 4.11Å; E108-W135 HydrophobicContact CB-CZ3 4.35Å; E131-W135 VanDerWaalsContact O-CD1 3.25Å; E131-W135 PolarHBondContact O-N 3.48Å; E131-W135 VanDerWaalsContact O-N 3.11Å; R132-W135 PolarHBondContact O-N 3.13Å; L133-W135 PolarHBondContact O-N 3.15Å; W135-I138 PolarHBondContact O-N 2.9Å; W135-S139 WeakPolarHBondContact O-CB 3.21Å; W135-S139 PolarHBondContact O-N 3.16Å; W135-S139 PolarHBondContact O-OG 2.86Å
136L80.9Confident77.2Confident3 Ų372.1 Ų72.12%0.01635%0.347CS..Hα-helixtrans-69.3-31.8177.6-68168.9000112.9I53 L107 V118 R132 L133 I138 S139 A140 M145I53-L136 HydrophobicContact CD1-CD1 3.67Å; I53-L136 HydrophobicContact CD1-CD2 3.81Å; I53-L136 HydrophobicContact CD1-CG 4.24Å; L107-L136 HydrophobicContact CD2-CD2 4.3Å; V118-L136 HydrophobicContact CG1-CD1 4.06Å; V118-L136 HydrophobicContact CG1-CD2 4.36Å; V118-L136 HydrophobicContact CG2-CD2 4.45Å; R132-L136 HydrophobicContact CG-CD1 3.96Å; R132-L136 WeakPolarHBondContact O-CG 3.38Å; R132-L136 PolarHBondContact O-N 2.84Å; L133-L136 PolarHBondContact O-N 2.62Å; L136-I138 PolarHBondContact O-N 2.9Å; L136-S139 PolarHBondContact O-N 3.33Å; L136-S139 VanDerWaalsContact O-N 3.16Å; L136-A140 HydrophobicContact CD2-CB 4.32Å; L136-A140 CarbonylContact O-C 3.54Å; L136-A140 WeakPolarHBondContact O-CA 3.31Å; L136-A140 PolarHBondContact O-N 3.28Å; L136-M145 HydrophobicContact CB-CE 4.38Å
137S74Confident77.8Confident76 Ų7666.4 Ų66.453%0.53132%0.317SS..Hα-helixtrans-63.2-27.9174.477.20000112.9L133 K134L133-S137 WeakPolarHBondContact O-CB 3.49Å; L133-S137 PolarHBondContact O-N 3.35Å; K134-S137 PolarHBondContact O-N 3.23Å; K134-S137 PolarHBondContact O-OG 3.2Å
138I70.4Confident78.5Confident84 Ų8460.8 Ų60.843%0.43129%0.287SS..Hα-helixtrans-83.2-40.4174-60.6167.2000110.3K134 W135 L136K134-I138 PolarHBondContact O-N 3.35Å; W135-I138 PolarHBondContact O-N 2.9Å; L136-I138 PolarHBondContact O-N 2.9Å
139S67.8Low78.6Confident3 Ų357.2 Ų57.22%0.02127%0.274CS..Hα-helixtrans-100.2-19.7-162-520000115.3G111 V113 W135 L136G111-S139 WeakPolarHBondContact O-CA 3.3Å; G111-S139 WeakPolarHBondContact O-CB 3.41Å; G111-S139 PolarHBondContact O-OG 3.23Å; V113-S139 CarbonylContact C-O 3.53Å; V113-S139 WeakPolarHBondContact CA-O 3.26Å; V113-S139 WeakPolarHBondContact CG2-O 2.79Å; V113-S139 PolarHBondContact N-O 3.14Å; V113-S139 CarbonylContact O-C 3.56Å; W135-S139 WeakPolarHBondContact O-CB 3.21Å; W135-S139 PolarHBondContact O-N 3.16Å; W135-S139 PolarHBondContact O-OG 2.86Å; L136-S139 PolarHBondContact O-N 3.33Å; L136-S139 VanDerWaalsContact O-N 3.16Å
140A66.8Low77.5Confident3 Ų359.8 Ų59.83%0.02529%0.293CS..SBendtrans-145.263.5-173.100000110.7A115 V118 L136 N142 A143A115-A140 HydrophobicContact CB-CB 4.11Å; V118-A140 HydrophobicContact CG2-CB 4.22Å; L136-A140 HydrophobicContact CD2-CB 4.32Å; L136-A140 CarbonylContact O-C 3.54Å; L136-A140 WeakPolarHBondContact O-CA 3.31Å; L136-A140 PolarHBondContact O-N 3.28Å; A140-N142 PolarHBondContact O-N 3.12Å; A140-A143 HydrophobicContact CB-CB 4.28Å; A140-A143 PolarHBondContact O-N 2.71Å
141R63.9Low76.1Confident190 Ų19057.9 Ų57.972%0.71729%0.291SS*.THydrogen-bonded Turntrans-63.6130.4-177.8-72.1-174.1-179.8-168.70.7111.1A143R141-A143 VanDerWaalsContact C-N 3.29Å; R141-A143 PolarHBondContact O-N 3.18Å
142N66.5Low74.3Confident167 Ų16756.8 Ų56.889%0.89329%0.289SS*.THydrogen-bonded Turntrans66.318.8177.3-49.6-29.1000115.6A140A140-N142 PolarHBondContact O-N 3.12Å
143A77.4Confident72Confident5 Ų565.2 Ų65.24%0.04133%0.328CS..  trans-69.2140.9171.800000111A115 V118 A140 R141 M145A115-A143 VanDerWaalsContact O-CB 3.26Å; A115-A143 WeakPolarHBondContact O-CB 3.23Å; V118-A143 HydrophobicContact CG2-CB 3.82Å; A140-A143 HydrophobicContact CB-CB 4.28Å; A140-A143 PolarHBondContact O-N 2.71Å; R141-A143 VanDerWaalsContact C-N 3.29Å; R141-A143 PolarHBondContact O-N 3.18Å; A143-M145 HydrophobicContact CB-CE 4.26Å
144E82.7Confident69.7Low82 Ų8270.3 Ų70.338%0.38335%0.351SS..EExtended strand (participates in β ladder)trans-65.9135165.5-173-175.4172.500108.8R43 N116 L117 V118R43-E144 IonicContact CZ-OE2 2.87Å; R43-E144 IonicContact NH1-OE2 3.41Å; R43-E144 IonicContact NH2-OE1 3.21Å; R43-E144 IonicContact NH2-OE2 3.46Å; R43-E144 PolarHBondContact NH2-OE2 3.03Å; N116-E144 PolarHBondContact O-N 2.83Å; L117-E144 CarbonylContact C-O 3.59Å; L117-E144 WeakPolarHBondContact CA-O 3.47Å; L117-E144 HydrophobicContact CD1-CB 3.93Å; L117-E144 HydrophobicContact CD1-CG 4.05Å; V118-E144 PolarHBondContact N-O 2.92Å
145M86.3Confident67.3Low8 Ų869.2 Ų69.24%0.03935%0.352CS..EExtended strand (participates in β ladder)trans-107.3119.5-179.7-60.4-73.3171.900109.3T19 T20 F21 T22 V118 L136 A143T19-M145 HydrophobicContact CG2-CB 4.42Å; T19-M145 HydrophobicContact CG2-CE 4.26Å; T19-M145 HydrophobicContact CG2-CG 3.46Å; T19-M145 VanDerWaalsContact CG2-CG 3.46Å; T20-M145 PolarHBondContact O-N 3.29Å; F21-M145 CarbonylContact C-O 3.45Å; F21-M145 WeakPolarHBondContact CA-O 3.28Å; F21-M145 HydrophobicContact CD1-CB 3.37Å; F21-M145 HydrophobicContact CD1-CG 3.98Å; F21-M145 HydrophobicContact CE1-CB 3.58Å; F21-M145 HydrophobicContact CE1-CG 3.65Å; F21-M145 HydrophobicContact CE1-SD 4.41Å; F21-M145 HydrophobicContact CG-CB 4.03Å; F21-M145 HydrophobicContact CZ-CB 4.4Å; F21-M145 HydrophobicContact CZ-CG 4.11Å; T22-M145 PolarHBondContact N-O 3.21Å; V118-M145 HydrophobicContact CB-CE 4.36Å; V118-M145 HydrophobicContact CB-SD 3.58Å; V118-M145 VanDerWaalsContact CB-SD 3.58Å; V118-M145 HydrophobicContact CG1-SD 3.94Å; V118-M145 HydrophobicContact CG2-CE 4.29Å; V118-M145 HydrophobicContact CG2-SD 4.16Å; V118-M145 WeakPolarHBondContact O-CA 3.48Å; L136-M145 HydrophobicContact CB-CE 4.38Å; A143-M145 HydrophobicContact CB-CE 4.26Å
146L87.4Confident64.9Low11 Ų1173.9 Ų73.96%0.05838%0.377CS..EExtended strand (participates in β ladder)trans-110.1127.2172.6177.965.8000108.7T22 A24 F35 T39 L117 V118 I119 H120T22-L146 HydrophobicContact CG2-CD1 3.97Å; T22-L146 CarbonylContact O-C 3.51Å; T22-L146 WeakPolarHBondContact O-CA 3.45Å; T22-L146 WeakPolarHBondContact O-CD1 3.46Å; A24-L146 HydrophobicContact CB-CD1 4.11Å; F35-L146 HydrophobicContact CE1-CD2 4.14Å; T39-L146 HydrophobicContact CG2-CD2 4.27Å; L117-L146 HydrophobicContact CD1-CB 4.14Å; V118-L146 PolarHBondContact O-N 2.82Å; I119-L146 CarbonylContact C-O 3.45Å; I119-L146 VanDerWaalsContact CA-O 3.26Å; I119-L146 WeakPolarHBondContact CA-O 3.28Å; I119-L146 HydrophobicContact CD1-CD2 4.19Å; I119-L146 HydrophobicContact CG1-CB 4.24Å; I119-L146 HydrophobicContact CG1-CD2 4.17Å; I119-L146 HydrophobicContact CG2-CB 4.39Å; I119-L146 HydrophobicContact CG2-CD2 4.12Å; I119-L146 HydrophobicContact CG2-CG 4.27Å; H120-L146 PolarHBondContact N-O 2.81Å
147V87.4Confident62.7Low0 Ų083.2 Ų83.20%042%0.418CS..EExtended strand (participates in β ladder)trans-115.5124.2178.8-177.80000108.4F21 T22 Y23 A24 H120 L123F21-V147 HydrophobicContact CD1-CG2 4.05Å; T22-V147 PolarHBondContact O-N 2.87Å; Y23-V147 CarbonylContact C-O 3.47Å; Y23-V147 WeakPolarHBondContact CA-O 3.44Å; Y23-V147 HydrophobicContact CD1-CB 3.65Å; Y23-V147 HydrophobicContact CD1-CG1 3.69Å; Y23-V147 HydrophobicContact CD1-CG2 4.32Å; Y23-V147 HydrophobicContact CE1-CB 3.75Å; Y23-V147 HydrophobicContact CE1-CG1 3.61Å; Y23-V147 HydrophobicContact CE1-CG2 3.97Å; Y23-V147 HydrophobicContact CG-CB 4.23Å; A24-V147 PolarHBondContact N-O 3.04Å; H120-V147 HydrophobicContact CB-CG1 4.36Å; H120-V147 HydrophobicContact CB-CG2 4.26Å; L123-V147 HydrophobicContact CD1-CG1 3.43Å; L123-V147 VanDerWaalsContact CD1-CG1 3.43Å; L123-V147 HydrophobicContact CD2-CG1 3.72Å; L123-V147 HydrophobicContact CG-CG1 3.64Å
148I87.4Confident60.6Low5 Ų588.4 Ų88.43%0.02643%0.434CS..EExtended strand (participates in β ladder)trans-96.5111.1174.2-61.1-180000107.7A24 P26 F35 L36 I119 H120A24-I148 WeakPolarHBondContact O-CA 3.47Å; P26-I148 HydrophobicContact CG-CG2 4.11Å; F35-I148 HydrophobicContact CD1-CD1 4.36Å; L36-I148 HydrophobicContact CD1-CD1 3.65Å; L36-I148 HydrophobicContact CD2-CD1 3.33Å; L36-I148 HydrophobicContact CG-CD1 3.28Å; I119-I148 HydrophobicContact CG2-CD1 4.09Å; I119-I148 HydrophobicContact CG2-CG1 4.33Å; H120-I148 PolarHBondContact O-N 3.33Å
149T77.8Confident58.6Low30 Ų3088 Ų8818%0.18445%0.451CS..  trans-84.9120.7172.834.70000108.2Y23 A24 S25 L123 C151Y23-T149 HydrophobicContact CD1-CG2 4.03Å; A24-T149 PolarHBondContact O-N 3.32Å; A24-T149 PolarHBondContact O-OG1 3.33Å; S25-T149 PolarHBondContact OG-OG1 2.84Å; L123-T149 HydrophobicContact CD1-CG2 3.68Å; T149-C151 PolarHBondContact O-N 3.36Å
150P58.8Low56.8Low75 Ų7598.6 Ų98.649%0.48750%0.496SS..  trans-60.3136.1171.425.2-30.5000108.8D152P150-D152 PolarHBondContact O-N 3.09Å
151C49.9Very low55Low71 Ų71101.7 Ų101.748%0.4853%0.529SS..  trans-81.294.3165.2-153.10000106P26 T149 E153P26-C151 VanDerWaalsContact O-CB 3.24Å; P26-C151 WeakPolarHBondContact O-CB 3.18Å; T149-C151 PolarHBondContact O-N 3.36Å; C151-E153 PolarHBondContact O-N 3.14Å
152D43.1Very low53.4Low91 Ų91101.4 Ų101.449%0.48754%0.535SS..  trans-68.6111.5167.9-60.2-37.2000106.6P150 E154 N155P150-D152 PolarHBondContact O-N 3.09Å; D152-E154 HydrophobicContact CB-CB 4.37Å; D152-E154 PolarHBondContact O-N 3.32Å; D152-N155 PolarHBondContact O-N 3.24Å
153E38.8Very low51.5Low178 Ų17899.6 Ų99.683%0.83253%0.531SS*.THydrogen-bonded Turntrans-61.53.5167.5-69.9-174.4171.400112.1C151C151-E153 PolarHBondContact O-N 3.14Å
154E35.4Very low49.2Very low154 Ų154108.5 Ų108.572%0.7257%0.571SS**THydrogen-bonded Turntrans-86.5-13179.8-64.6-171.4158.900114.5D152D152-E154 HydrophobicContact CB-CB 4.37Å; D152-E154 PolarHBondContact O-N 3.32Å
155N29.4Very low46.6Very low125 Ų125110.1 Ų110.167%0.66859%0.589SS**SBendtrans-102.45.8-174.9-80-30.1000116.8D152 K157D152-N155 PolarHBondContact O-N 3.24Å; N155-K157 VanDerWaalsContact C-N 3.27Å; N155-K157 PolarHBondContact O-N 3.11Å
156E30.4Very low43.5Very low190 Ų190118.8 Ų118.889%0.88863%0.629SS**THydrogen-bonded Turntrans-84.612172.4-86.3-165.4170.100114.5
157K34.1Very low40.8Very low199 Ų199126 Ų12687%0.86567%0.666SS**THydrogen-bonded Turntrans-122.619.4178.2-73.3-168-178.6177.90116.1N155N155-K157 VanDerWaalsContact C-N 3.27Å; N155-K157 PolarHBondContact O-N 3.11Å
158E31.6Very low37.7Very low186 Ų186132.4 Ų132.487%0.86971%0.705SS**SBendtrans-129.5112.7160.4-73.5-168.8160.800110.1
159G28.2Very low34.9Very low76 Ų76140.3 Ų140.378%0.78474%0.742SS**  trans117.961.316700000116.8G161G159-G161 PolarHBondContact O-N 2.84Å
160K30.3Very low32.3Very low225 Ų225148.1 Ų148.198%0.97878%0.776SS**  trans-77.5101.8141.3-89.9-171.5177.2-177.90107.3
161G27.8Very low30.7Very low68 Ų68156 Ų15670%0.70180%0.796SS**  trans-172.6103.2172.900000109.7G159G159-G161 PolarHBondContact O-N 2.84Å
162E30.8Very low29.3Very low184 Ų184161.4 Ų161.486%0.8682%0.817SS**  trans-44.3140.4174.2-59162.9155.100111.5
163T25.6Very low28.5Very low129 Ų129162.3 Ų162.379%0.79183%0.827SS**  -179.4142.48315.50000109.6
164E31Very low27.8Very low191 Ų191161.9 Ų161.989%0.89383%0.83SS**  trans-59149.7162.4-72.7179.6144.100110.6
165P27.1Very low27.2Very low117 Ų117163.8 Ų163.876%0.7684%0.836SS**  -145.8138.6113.231.3-12.8000116.3
166E22.2Very low26.8Very low190 Ų190163.1 Ų163.189%0.88884%0.836SS**  trans19.6136.8138.8-65.3-176.4150.800122.8
167I30Very low26.5Very low162 Ų162161.2 Ų161.283%0.83183%0.832SS**  trans-69.1126.2171.6-61.6162.1000111.5
168V23Very low26.1Very low134 Ų134155.8 Ų155.881%0.81283%0.825SS**  trans-143.1122.6149.6-179.70000111
169Q27.4Very low25.7Very low172 Ų172154.1 Ų154.180%0.80482%0.821SS**  trans-62.9138.9168.3-69.1169.5-20.100111.6
170Q23.8Very low25.5Very low194 Ų194157.7 Ų157.791%0.90782%0.822SS**  trans-163.3128.8140.6-110.316429.500113.7
171R24.2Very low25.3Very low239 Ų239151.8 Ų151.890%0.90281%0.809SS**  trans-53.2152.4168.8-71.4168.1165170.8-4.8112
172M22.2Very low25.2Very low186 Ų186157.2 Ų157.292%0.91682%0.818SS**  trans-163.1160.7134.5-100-158.9115.400112.5
173P25.9Very low24.9Very low109 Ų109156.5 Ų156.571%0.70882%0.815SS**  trans-108.2172.3-144.340.8-34.6000116.2
174L23.6Very low24.7Very low170 Ų170155.9 Ų155.989%0.8981%0.806SS**  trans-62.9136166.3-77.9147.7000113.3
175K22.3Very low24.4Very low193 Ų193155.2 Ų155.284%0.83980%0.797SS**  169.3121.3129.1-97-171.4176.2-178.80110.3
176V22.3Very low24.2Very low112 Ų112157.4 Ų157.468%0.67980%0.796SS**  101.8126.277.6163.70000111.9
177D24.1Very low24.4Very low150 Ų150154 Ų15480%0.80278%0.783SS**  trans80.2115.6153.1-67.8-15.3000124.3
178A24.7Very low24.2Very low85 Ų85154.1 Ų154.170%0.70278%0.778SS**  92.6117.411500000121.4
179L23.6Very low24.3Very low150 Ų150154.6 Ų154.679%0.78577%0.771SS**  trans55.4113.2140.3-99.479.4000118.9
180N24.3Very low24.1Very low152 Ų152153.5 Ų153.581%0.81377%0.771SS**  -160.7126.893.9-96.7-26.5000112.4
181S26.5Very low24.2Very low100 Ų100150.4 Ų150.470%0.69977%0.765SS**  trans-72.3138.5164.1460000111.1
182M24Very low25.5Very low183 Ų183144.2 Ų144.290%0.90176%0.756SS**  -154.1126.2126.7-108.8-173.472.500111.3
183Q24.7Very low26.2Very low168 Ų168140.3 Ų140.379%0.78574%0.744SS**  trans-43.1170.8160.9-76.8171.4-2600114.2
184L22.6Very low26.2Very low116 Ų116141.1 Ų141.161%0.60775%0.748SS**  cis172.4163.2-18.4-150.7144.2000103.3
185Y23.1Very low26.3Very low178 Ų178137.6 Ų137.670%0.69874%0.737SS**  trans85.7109.9171-61.1-78000116.4
186E24.3Very low26.5Very low162 Ų162132.7 Ų132.776%0.75773%0.727SS**  67.2124.953.5-141.7-175.2-120.500109.3
187I26.2Very low26.8Very low120 Ų120135.2 Ų135.262%0.61573%0.732SS**  176.1141.683.4-77.7178.1000110
188K24.4Very low26.9Very low163 Ų163134.4 Ų134.471%0.70973%0.727SS**  trans77.5133145.7-80.5170.7-179.7-164.40127.8
189E25.2Very low27Very low145 Ų145141.6 Ų141.668%0.67874%0.738SS**  trans54.4118131.3-71.7168.3171.100121
190N24.7Very low27.2Very low149 Ų149143.9 Ų143.980%0.79774%0.742SS**  174.215999.2-95.7-42.3000112.6
191T25.1Very low27.4Very low128 Ų128140.8 Ų140.879%0.78574%0.737SS**  trans-72.4-177.7-173.9-10.90000114.4
192P51.7Low27.5Very low109 Ų109145.3 Ų145.371%0.70875%0.747SS**  trans-96.5-170.2-130.944.9-27.2000112.4
193P36.9Very low27.7Very low104 Ų104140 Ų14068%0.67573%0.733SS**  -160.2-176.382.537.5-13.7000116.4
194T25Very low27.9Very low127 Ų127139.2 Ų139.278%0.77973%0.734SS**  trans68142.7148410000118.5
195S26.3Very low28.2Very low96 Ų96138.7 Ų138.767%0.67174%0.735SS**  cis-174.5159.513.343.50000108.3
196S26.8Very low28.4Very low90 Ų90136.6 Ų136.663%0.62974%0.735SS**  trans40140.1134.969.80000119.2
197E28.8Very low28.6Very low165 Ų165136.2 Ų136.277%0.77174%0.738SS**  cis179.9146.834.1-129.8158.2-146.800107.1
198D27.1Very low28.6Very low132 Ų132135.3 Ų135.371%0.70674%0.742SS**  trans28.1137.9140.2-63.1-24.3000122.6
199Y26.6Very low28.7Very low237 Ų237132.3 Ų132.393%0.92975%0.748SS**  -158.8133.1108-96.7-74.5000111.8
200K27.8Very low28.7Very low198 Ų198130.5 Ų130.586%0.86176%0.757SS**  trans-77.9161168.6-74.4175.6171.9176.50112.3
201A27.9Very low28.6Very low87 Ų87129.9 Ų129.972%0.71976%0.759SS**  165.9115.912700000108.6
202E28.9Very low29.7Very low194 Ų194129.1 Ų129.191%0.90776%0.756SS**  70.7137.293.2-81.7-178.5-176.500113
203A28.4Very low28.3Very low73 Ų73128.9 Ų128.960%0.60376%0.764SS**  cis-166.6168.91100000110.6
204D29.1Very low27.7Very low151 Ų151129.1 Ų129.181%0.80776%0.764SS**  trans71.1140.4135-80.91.5000121.2
205V28.7Very low27.9Very low105 Ų105130.3 Ų130.364%0.63676%0.764SS**  cis-175.81651.378.10000111.3
206L27.5Very low28.3Very low133 Ų133131.4 Ų131.470%0.69677%0.768SS**  trans79.8110.7152.6-59.7168.2000120.7
207L27.6Very low28.3Very low155 Ų155133.9 Ų133.981%0.81277%0.774SS**  78140.193.2-79.3173.7000113.5
208S26.7Very low28.1Very low100 Ų100133.7 Ų133.770%0.69978%0.779SS**  cis-170.1137.219.546.20000107.8
209A25.8Very low28.1Very low101 Ų101134 Ų13484%0.83578%0.78SS**  64.8118.9102.900000118
210A24.7Very low28Very low106 Ų106132.6 Ų132.688%0.87678%0.779SS**  176.1127.312300000112.5
211T24.2Very low27.9Very low136 Ų136132.3 Ų132.383%0.83478%0.781SS**  trans-88.8-160.5171.927.90000110.9
212P47.2Very low27.7Very low112 Ų112136.9 Ų136.973%0.72779%0.787SS**  -127.8178.2-7739.4-22.4000112.2
213A23.2Very low27.5Very low104 Ų104136.8 Ų136.886%0.8679%0.787SS**  trans-153.6151.8160.800000113
214T24.5Very low27.3Very low110 Ų110139.5 Ų139.568%0.67579%0.79SS**  trans-137.1130.3-147.8-53.90000109.9
215I28.7Very low27.2Very low152 Ų152140.3 Ų140.378%0.77979%0.794SS**  trans67.4145.7143.3-63.6177000117.6
216P33.5Very low27Very low119 Ų119142.1 Ų142.177%0.77380%0.799SS**  cis-143.6163.942252.1000122
217N27.1Very low26.9Very low141 Ų141140.8 Ų140.875%0.75480%0.801SS**  trans-27.7148.5153.9-93.2-12.3000118.4
218D24.4Very low26.9Very low161 Ų161138.7 Ų138.786%0.86180%0.795SS**  -157.6145.4120.7-108.9-23.5000114.2
219N27Very low27Very low138 Ų138141.9 Ų141.974%0.73880%0.799SS**  trans-72150.9-173.3-71.5-44.9000114.7
220K24.9Very low27.2Very low209 Ų209142.9 Ų142.991%0.90979%0.79SS**  -177.1131.9119.1-103.2170.5-177.8177.10113.6
221E26.1Very low27.2Very low191 Ų191140.9 Ų140.989%0.89377%0.773SS**  trans-61.8138.2169.8-63.5167.6143.900111.8
222Q24.1Very low27.5Very low184 Ų184141.1 Ų141.186%0.8678%0.775SS**  trans-146.1113.4151.7-107.3178.60.400109.2I224Q222-I224 PolarHBondContact O-N 2.85Å
223E25Very low26.7Very low191 Ų191143.8 Ų143.889%0.89378%0.777SS**  trans-58.7125.7169.5-69.7177.1134.100110.6
224I24.1Very low27Very low131 Ų131146.4 Ų146.467%0.67277%0.77SS**  trans-131.1107.6162.2-58-180000107.5Q222 L226Q222-I224 PolarHBondContact O-N 2.85Å; I224-L226 HydrophobicContact CG2-CD1 3.97Å; I224-L226 HydrophobicContact CG2-CG 4.03Å; I224-L226 PolarHBondContact O-N 2.84Å
225N25.9Very low27.1Very low167 Ų167148.4 Ų148.489%0.89378%0.775SS**  trans-64.3112.1165.9-86.7-58.7000109.3
226L25Very low27.2Very low143 Ų143149.8 Ų149.875%0.74978%0.783SS**  trans-123112.2168.1-85.1158.7000109.4I224 V228I224-L226 HydrophobicContact CG2-CD1 3.97Å; I224-L226 HydrophobicContact CG2-CG 4.03Å; I224-L226 PolarHBondContact O-N 2.84Å; L226-V228 PolarHBondContact O-N 2.99Å
227S24.6Very low26.9Very low105 Ų105148.4 Ų148.473%0.73478%0.782SS**  trans-67.1114.7167.2176.60000108.8
228V28.6Very low26.8Very low112 Ų112146 Ų14668%0.67978%0.776SS**  trans-101.777.3176.5-174.20000108.1L226 A231L226-V228 PolarHBondContact O-N 2.99Å; V228-A231 HydrophobicContact CG1-CB 4.14Å
229E28.7Very low26.7Very low167 Ų167148.7 Ų148.778%0.7878%0.78SS**SBendtrans-118.95.8161.1-78-17215600112.4
230D30.4Very low26.6Very low122 Ų122151 Ų15165%0.65279%0.787SS**SBendtrans-117.710.8-173-111.99.1000115.1
231A24.8Very low26.6Very low64 Ų64149.9 Ų149.953%0.52979%0.79SS.*SBendtrans-99.8-6.8-173.300000115.6V228V228-A231 HydrophobicContact CG1-CB 4.14Å
232T29.6Very low26.4Very low141 Ų141144.2 Ų144.287%0.86578%0.783SS**SBendtrans-95.3-5176.633.70000114.7
233E31.6Very low26.4Very low167 Ų167140.6 Ų140.678%0.7878%0.778SS**SBendtrans-107.20.2177.9-82.4-172.6161.300114.8
234K28.3Very low26.3Very low160 Ų160137.4 Ų137.470%0.69677%0.771SS**SBendtrans-108.210.7-178.3-84.8-176.5178.1172.80116.5
235L27.7Very low26.3Very low151 Ų151138.1 Ų138.179%0.79178%0.777SS**SBendtrans-106.420.3179.3-87.7167.2000115.3
236L29.9Very low26.2Very low182 Ų182135.7 Ų135.795%0.95377%0.773SS**SBendtrans-122.813.5168.5-79.9170.6000113.9
237A27.9Very low26.1Very low90 Ų90133.3 Ų133.374%0.74477%0.774SS**SBendtrans-130.364.1178.800000111.4
238S23.5Very low26Very low90 Ų90132.8 Ų132.863%0.62978%0.776SS**  trans-170.983.3161.853.40000111.3
239F23.9Very low25.9Very low217 Ų217134.1 Ų134.195%0.95278%0.784SS**  trans-149.576149.8-89.7-69.5000108
240E24.8Very low25.7Very low186 Ų186133.2 Ų133.287%0.86978%0.784SS**  trans-142.5122.5156.1-81.9-163.2165.100110.1
241L23.9Very low25.5Very low186 Ų186135.2 Ų135.297%0.97479%0.79SS**  trans175.1124.9152.4-100.3145.5000105.1
242G22.7Very low25.5Very low72 Ų72137.4 Ų137.474%0.74280%0.801SS**  cis158.3149.33.700000107.8
243S23.1Very low25.2Very low108 Ų108136 Ų13676%0.75580%0.797SS**  trans-171.999.8154.563.80000107.8
244T23.2Very low25.9Very low124 Ų124133.5 Ų133.576%0.76180%0.796SS**  67.2117.288.456.80000116.5
245D24Very low25.7Very low147 Ų147130.3 Ų130.379%0.78680%0.799SS**  trans77.6115.2142-57.9-17.5000122
246S23.8Very low25.4Very low116 Ų116127.9 Ų127.981%0.81180%0.801SS**  170.9141.295.149.20000115
247A23.2Very low25.1Very low93 Ų93123.8 Ų123.877%0.76979%0.793SS**  trans55.9113.1148.100000120.6
248A23.3Very low25Very low93 Ų93128.4 Ų128.477%0.76980%0.796SS**  60.3125.790.400000112.9
249V25.3Very low24.9Very low141 Ų141132.4 Ų132.486%0.85580%0.803SS**  -165.2155.567.91680000110.4
250D24.6Very low24.9Very low148 Ų148128.9 Ų128.979%0.79179%0.794SS**  trans-66.3-179.9-177.6-146.8-12.2000116.6
251E25.4Very low24.9Very low163 Ų163124.3 Ų124.376%0.76279%0.788SS**  trans110.899.1153.4-61.6-162.8158.500121
252S25.7Very low25.1Very low111 Ų111121 Ų12178%0.77678%0.778SS**  90.2125.6115.277.30000121.6
253S23Very low25.2Very low110 Ų110123.5 Ų123.577%0.76978%0.778SS**  trans-83.8-171.2158.6-134.50000109.8
254P46.2Very low25.3Very low116 Ų116129.7 Ų129.775%0.75379%0.787SS**  cis-133.8-177.7-33.926.6-4.4000112.7
255A24Very low25.4Very low93 Ų93128.6 Ų128.677%0.76978%0.784SS**  136.3122.812900000117.9
256A23.1Very low26Very low100 Ų100126.3 Ų126.383%0.82678%0.777SS**  trans44.5122.7135.700000122.4
257A23.6Very low26.1Very low96 Ų96130.4 Ų130.479%0.79378%0.781SS**  158.6133.498.600000114
258K24.1Very low26.2Very low187 Ų187131.6 Ų131.681%0.81378%0.778SS**  trans4.3137.9148.6-59.9172.4177.2176.60119.1
259F22.8Very low26.3Very low174 Ų174133.2 Ų133.276%0.76378%0.779SS**  175.3135.3101.5-112-95.5000113.5
260N23.6Very low26.4Very low142 Ų142135.1 Ų135.176%0.75978%0.778SS**  trans43.8137.2144.8-68.9-1.3000125.7
261A25Very low26.6Very low90 Ų90135.7 Ų135.774%0.74478%0.782SS**  trans-69.3170.3163.600000114.3
262P28Very low27.1Very low118 Ų118133.4 Ų133.477%0.76678%0.781SS**  -138.4131.3113.830.9-14.7000112.4
263V25.3Very low27.3Very low124 Ų124134.8 Ų134.875%0.75279%0.785SS**  46.9112.694.8-174.40000114.9
264Y24.5Very low27.8Very low237 Ų237139.3 Ų139.393%0.92979%0.791SS**  trans-162.6130.4134-103.8-76.7000111.1
265S25.6Very low27.2Very low102 Ų102139.2 Ų139.271%0.71379%0.793SS**  trans-133.7158.6155.972.60000105.1
266P36.9Very low27.6Very low98 Ų98141.7 Ų141.764%0.63679%0.792SS**  -152.2173.657.136.4-13.5000116
267F24.5Very low28.1Very low202 Ų202143.9 Ų143.989%0.88679%0.79SS**  177.3148122.1-99.5-74.1000112
268V26.4Very low28.4Very low119 Ų119143.4 Ų143.472%0.72179%0.786SS**  trans-117.9148.3-161.6167.70000110.4
269T24.6Very low28.9Very low127 Ų127141.9 Ų141.978%0.77978%0.782SS**  trans171.3151.7138.339.70000108.4
270E26.7Very low29.5Very low180 Ų180141 Ų14184%0.84178%0.778SS**  cis-164.7153.4-25.6-114.9-177174.400105.7
271N30.6Very low29.9Very low161 Ų161141.3 Ų141.386%0.86178%0.775SS**  trans-79.7160.2178.7-82.2-36.8000113.5
272P34.7Very low30.3Very low114 Ų114144.3 Ų144.374%0.7477%0.773SS**  -148.9166.897.738.9-20.8000112.7
273T29.4Very low30.5Very low140 Ų140144.8 Ų144.886%0.85977%0.769SS**  cis-165.81547.63.70000109.8
274K34.3Very low30.9Very low206 Ų206144.1 Ų144.190%0.89677%0.765SS**  trans-75.7139.4170-67.8169.3171.9176.80111.6
275S33.2Very low31.1Very low114 Ų114141.1 Ų141.180%0.79776%0.757SS**  trans-162.73.4163.6-170.10000117.3
276L31.8Very low31.1Very low144 Ų144140.1 Ų140.175%0.75475%0.749SS**SBendtrans-111.5-7.3-171.9-91.5146000115.9
277D33.9Very low30.7Very low146 Ų146144.6 Ų144.678%0.78176%0.759SS**SBendtrans-89.2-6.3-174.7-74.5-26.9000114.8
278A31.1Very low30.8Very low86 Ų86144.4 Ų144.471%0.71176%0.758SS**SBendtrans-89.4-31.4-177.300000113.8
279E34.2Very low30.8Very low156 Ų156145.6 Ų145.673%0.72977%0.765SS**SBendtrans-78.1-24.6-179.2-84.2-176.6146.200113.4
280F34.5Very low30.9Very low156 Ų156147.3 Ų147.368%0.68476%0.764SS**Hα-helixtrans-79.1-24.1-175.5-160.3-102.8000113.4
281Q33.8Very low30.8Very low147 Ų147145.4 Ų145.469%0.68776%0.76SS**Hα-helixtrans-83.2-14.4179.8-69.5-161.2-5.300114
282E31.4Very low30.4Very low154 Ų154142.4 Ų142.472%0.7275%0.747SS**Hα-helixtrans-83.5-32.4176.3-139.2177.9-17500111.8V284 K285E282-V284 VanDerWaalsContact C-N 3.28Å; E282-V284 PolarHBondContact O-N 3.31Å; E282-K285 PolarHBondContact O-N 3.23Å
283L32.7Very low29.9Very low127 Ų127145.1 Ų145.167%0.66575%0.747SS**Hα-helixtrans-69.1-23.5178.6-141.9106.2000113.5S286L283-S286 PolarHBondContact O-OG 3.27Å; L283-S286 VanDerWaalsContact O-OG 3.11Å
284V33.6Very low29.7Very low110 Ų110146.3 Ų146.367%0.66774%0.741SS**THydrogen-bonded Turntrans-82.6-14.5-179176.80000112.2E282E282-V284 VanDerWaalsContact C-N 3.28Å; E282-V284 PolarHBondContact O-N 3.31Å
285K28.6Very low29.4Very low175 Ų175143.9 Ų143.976%0.76174%0.738SS**SBendtrans-88.2-11.7179.5-72179-179.31730114.1E282E282-K285 PolarHBondContact O-N 3.23Å
286S27Very low28.9Very low80 Ų80147.8 Ų147.856%0.55975%0.746SS**SBendtrans-91.5-4.2-173.458.10000115.9L283L283-S286 PolarHBondContact O-OG 3.27Å; L283-S286 VanDerWaalsContact O-OG 3.11Å
287F26.8Very low28.6Very low193 Ų193148.1 Ų148.185%0.84675%0.748SS**SBendtrans-107.724.6-177.5-91.6-79000115.8
288K27.8Very low28.2Very low198 Ų198148.5 Ų148.586%0.86175%0.75SS**  trans-112.197.8166-81.5-175176.6179.10110.6
289V25.8Very low28Very low143 Ų143149.8 Ų149.887%0.86775%0.75SS**  trans-126.6125.1153.9176.60000108.6
290Q27Very low27.8Very low163 Ų163147.5 Ų147.576%0.76275%0.749SS**  trans-74.9163.8-179.1-65162.9-51.100112.4
291N23.8Very low27.5Very low140 Ų140145.8 Ų145.875%0.74975%0.754SS**  trans135145.1131.5-75.8-24.3000112.5
292V23.3Very low27.2Very low98 Ų98144.4 Ų144.459%0.59476%0.758SS**  cis163.5146.9-17.6134.60000104.8
293F24.8Very low27Very low171 Ų171142.8 Ų142.875%0.7576%0.763SS**  trans68.9154166.4-71.9-44.9000117.9
294K25.3Very low26.6Very low165 Ų165142.8 Ų142.872%0.71777%0.768SS**  cis-165.8161.5-0.9-127.2155.7-174.9175.70108.2
295N26.6Very low26.1Very low155 Ų155142.7 Ų142.783%0.82977%0.773SS**  trans-36.4134.7164.6-68.4-32.2000115.7
296M24.2Very low25.9Very low196 Ų196142.1 Ų142.197%0.96678%0.776SS**  trans-137.6133.2146.1-88.8-164.716800109.8
297N24.2Very low25.7Very low151 Ų151147.1 Ų147.181%0.80779%0.79SS**  trans-91.2153.8179.5-94.4-30.3000111.7
298L25.3Very low25.7Very low155 Ų155145.7 Ų145.781%0.81279%0.787SS**  trans80153.4155.3-68.5146000118.1
299P27.8Very low25.6Very low112 Ų112142.4 Ų142.473%0.72779%0.786SS**  cis-127.3177.98.227.4-3.5000114.8
300P29.3Very low25.5Very low108 Ų108141.4 Ų141.470%0.70178%0.779SS**PPolyproline II helixtrans-75.3152.717832.1-34.4000112.2
301P28.6Very low25.4Very low121 Ų121138.7 Ų138.779%0.78678%0.779SS**PPolyproline II helixtrans-75.7149.9175.630.7-32.3000111.9
302P26.6Very low25.3Very low118 Ų118137 Ų13777%0.76678%0.778SS**PPolyproline II helixtrans-72.9137.517830-32.3000111.3
303S27.2Very low25.3Very low119 Ų119137.1 Ų137.183%0.83279%0.789SS**PPolyproline II helixtrans-67.2122.1165.948.40000110.4
304V25.8Very low25.2Very low127 Ų127134.6 Ų134.677%0.7779%0.792SS**  trans-136.8134.3161-177.40000109.8
305S22.6Very low25.1Very low109 Ų109131.5 Ų131.576%0.76280%0.797SS**  trans-60.4142.5-168.7-24.20000114.5
306I24.7Very low25Very low163 Ų163129.7 Ų129.784%0.83680%0.797SS**  trans-87.8115163.9-63.5171.4000106.9
307E22.9Very low25Very low184 Ų184127.3 Ų127.386%0.8679%0.788SS**  trans-95.2118.6159.4-79.1-175.9165.300108.3
308E26.6Very low24.9Very low164 Ų164131.5 Ų131.577%0.76679%0.794SS**  trans-70.3155.4159.8-70-178.1151.100110
309P25.7Very low24.7Very low129 Ų129134.9 Ų134.984%0.83880%0.796SS**  trans-120.2126.7142.829.7-17.3000112.2
310V23.3Very low24.6Very low121 Ų121137 Ų13773%0.73380%0.796SS**  trans-79.8149.6165.3175.10000110
311S24.5Very low24.3Very low107 Ų107140.1 Ų140.175%0.74880%0.801SS**  trans138.6144.5145.1630000110.6
312S22.1Very low24.1Very low105 Ų105142.1 Ų142.173%0.73480%0.804SS**  cis146.5134.7-17.158.10000106.4
313A22.6Very low23.9Very low99 Ų99144.2 Ų144.282%0.81881%0.808SS**  trans68.9149.2161.900000116.5
314S22.8Very low24.1Very low118 Ų118144.4 Ų144.483%0.82581%0.805SS**  cis-167.8159.79.832.10000109.1
315A24.2Very low24Very low100 Ų100145 Ų14583%0.82681%0.809SS**  trans-72.6148.2171.700000113.5
316S23.3Very low24.1Very low117 Ų117143.9 Ų143.982%0.81880%0.801SS**  trans-164.8138.7144.758.10000111.9
317D24.2Very low24.3Very low146 Ų146143.7 Ų143.778%0.78180%0.801SS**  trans-45.2148.7175.9-68.3-58.9000116.4
318Y24Very low24.4Very low240 Ų240142.4 Ų142.494%0.94180%0.8SS**  trans-155.8121132.9-94.9-73.4000111.1
319R21Very low24.3Very low225 Ų225138.8 Ų138.885%0.84979%0.793SS**  trans-76.3141.1163.2-68.8174.9176.2176.8-1.8109.2
320H25.3Very low24.4Very low157 Ų157140.3 Ų140.373%0.72779%0.792SS**  -178134.1121.5-108.7-83.1000114
321Q22.3Very low24.5Very low173 Ų173145.3 Ų145.381%0.80880%0.798SS**  trans59.7109.7146-82160.5-21.400120.7
322I24.9Very low24.6Very low163 Ų163145.4 Ų145.484%0.83679%0.794SS**  trans-98.2116165.4-63171.9000107.2
323D22.7Very low24.9Very low162 Ų162145.7 Ų145.787%0.86679%0.791SS**  trans-74.9122.6165.4-96.7-30.1000109.5T325D323-T325 PolarHBondContact O-N 2.91Å
324T30.4Very low25.2Very low124 Ų124149.7 Ų149.776%0.76179%0.79SS**  trans-84.596.3176.547.60000110
325T24.9Very low26.1Very low138 Ų138146.9 Ų146.985%0.84777%0.766SS**  trans-173.3134.1150.139.20000111.1D323D323-T325 PolarHBondContact O-N 2.91Å
326S24.6Very low26.7Very low87 Ų87146.9 Ų146.961%0.60876%0.76SS**  trans93.9103173.1-162.50000117D328S326-D328 PolarHBondContact O-N 2.93Å
327L27.8Very low27.7Very low159 Ų159145 Ų14583%0.83275%0.745SS**THydrogen-bonded Turntrans-77.43.7176.5-93.6150.1000114.2
328D25.2Very low28.7Very low157 Ų157138.2 Ų138.284%0.8471%0.709SS**THydrogen-bonded Turntrans-93.913.6-175.3-72.6-25.5000114.6S326S326-D328 PolarHBondContact O-N 2.93Å
329S24.5Very low29.4Very low88 Ų88130.4 Ų130.462%0.61569%0.69SS**  trans-129.847.4-173.761.20000114.9R331S329-R331 VanDerWaalsContact C-N 3.26Å; S329-R331 PolarHBondContact O-N 3.22Å
330I27.1Very low30.7Very low161 Ų161120.5 Ų120.583%0.82665%0.653SS**  trans-73.190.3157.2-57.6177.8000107.2T332I330-T332 PolarHBondContact O-N 3.34Å
331R25.3Very low31.1Very low225 Ų225116.4 Ų116.485%0.84965%0.647SS**  trans-57.6133.4171.3-78.6-177.9175178.9-0.2109.6S329 V333S329-R331 VanDerWaalsContact C-N 3.26Å; S329-R331 PolarHBondContact O-N 3.22Å; R331-V333 PolarHBondContact O-N 3.5Å; R331-V333 VanDerWaalsContact O-N 3.14Å
332T27.1Very low31.9Very low109 Ų109111.2 Ų111.267%0.66963%0.626SS**  trans-42.2105.8176.437.50000113.5I330 K334I330-T332 PolarHBondContact O-N 3.34Å; T332-K334 PolarHBondContact O-N 3.32Å; T332-K334 VanDerWaalsContact O-N 3.12Å
333V28.1Very low32.5Very low111 Ų111109.8 Ų109.867%0.67363%0.625SS**  trans-69.1103.2154.8179.50000105.7R331 D335R331-V333 PolarHBondContact O-N 3.5Å; R331-V333 VanDerWaalsContact O-N 3.14Å; V333-D335 PolarHBondContact O-N 2.94Å; V333-D335 VanDerWaalsContact O-N 3.14Å
334K30.5Very low33.4Very low184 Ų184104.5 Ų104.580%0.860%0.6SS**  trans-67109.7170.1-78.4-175.7177.5-179.70107.5T332 S336T332-K334 PolarHBondContact O-N 3.32Å; T332-K334 VanDerWaalsContact O-N 3.12Å; K334-S336 PolarHBondContact O-N 3.17Å; K334-S336 VanDerWaalsContact O-N 3.17Å
335D40.7Very low34.1Very low59 Ų59102.1 Ų102.132%0.31658%0.579SS.*PPolyproline II helixtrans-57.1120.3166.9-70.5-30.1000107.4V333V333-D335 PolarHBondContact O-N 2.94Å; V333-D335 VanDerWaalsContact O-N 3.14Å
336S37.8Very low34.9Very low99 Ų99101.6 Ų101.669%0.69258%0.581SS**PPolyproline II helixtrans-68.5146.2176.8-670000109.7K334 A338K334-S336 PolarHBondContact O-N 3.17Å; K334-S336 VanDerWaalsContact O-N 3.17Å; S336-A338 PolarHBondContact O-N 3.32Å
337P44.2Very low36Very low79 Ų7998.3 Ų98.351%0.51356%0.559SS.*PPolyproline II helixtrans-56127.2178.720.1-30.2000110.1S339P337-S339 PolarHBondContact O-N 2.78Å; P337-S339 VanDerWaalsContact O-N 3.12Å
338A44.5Very low37.6Very low2 Ų297.6 Ų97.62%0.01756%0.561CS.*BIsolated β-bridgetrans-69.9111.9-179.500000109.1S336 L340 Y760 L765 P766S336-A338 PolarHBondContact O-N 3.32Å; A338-L340 PolarHBondContact O-N 2.81Å; A338-Y760 HydrophobicContact CB-CE1 4.01Å; A338-L765 HydrophobicContact CB-CB 4.43Å; A338-P766 HydrophobicContact CB-CG 4.26Å
339S38.4Very low39.9Very low77 Ų7791.5 Ų91.554%0.53854%0.535SS..  trans-73.2111.2170-174.60000108.8P337 A341P337-S339 PolarHBondContact O-N 2.78Å; P337-S339 VanDerWaalsContact O-N 3.12Å; S339-A341 PolarHBondContact O-N 3.2Å; S339-A341 VanDerWaalsContact OG-CB 3.32Å; S339-A341 WeakPolarHBondContact OG-CB 3.49Å; S339-A341 PolarHBondContact OG-N 3.21Å
340L48.4Very low42.7Very low17 Ų1790.8 Ų90.89%0.08952%0.523CS..  trans-83.611.2172.3-86.3160.6000111.9A338 V342 V605 G608 V609 L611 L765A338-L340 PolarHBondContact O-N 2.81Å; L340-V342 PolarHBondContact O-N 2.75Å; L340-V605 HydrophobicContact CD2-CB 4.34Å; L340-V605 HydrophobicContact CD2-CG1 3.87Å; L340-V605 HydrophobicContact CD2-CG2 4.26Å; L340-G608 VanDerWaalsContact O-CA 3.25Å; L340-G608 WeakPolarHBondContact O-CA 3.49Å; L340-V609 VanDerWaalsContact CB-O 3.23Å; L340-V609 WeakPolarHBondContact CB-O 3.25Å; L340-V609 WeakPolarHBondContact CD1-O 3.34Å; L340-L611 HydrophobicContact CD1-CB 4.16Å; L340-L765 HydrophobicContact CD1-CD1 4.42Å; L340-L765 HydrophobicContact CD2-CD1 4.3Å; L340-L765 HydrophobicContact CD2-CD2 3.41Å; L340-L765 VanDerWaalsContact CD2-CD2 3.41Å; L340-L765 HydrophobicContact CD2-CG 4.45Å; L340-L765 HydrophobicContact CG-CD2 3.91Å
341A33.2Very low45.5Very low71 Ų7184.1 Ų84.159%0.58749%0.49SS*.  trans-67.3104.9-170.500000112S339S339-A341 PolarHBondContact O-N 3.2Å; S339-A341 VanDerWaalsContact OG-CB 3.32Å; S339-A341 WeakPolarHBondContact OG-CB 3.49Å; S339-A341 PolarHBondContact OG-N 3.21Å
342V40.2Very low48.4Very low63 Ų6374.7 Ų74.738%0.38246%0.455SS..  trans-113.6132.7160.9175.60000105.6L340 P344 T579L340-V342 PolarHBondContact O-N 2.75Å; V342-P344 WeakPolarHBondContact O-CD 3.42Å; V342-T579 HydrophobicContact CB-CG2 4.02Å; V342-T579 HydrophobicContact CG1-CG2 3.74Å; V342-T579 HydrophobicContact CG2-CG2 3.5Å; V342-T579 VanDerWaalsContact CG2-CG2 3.5Å
343V36.7Very low51.2Low133 Ų13372 Ų7281%0.80644%0.436SS*.  trans-56.2113.4176.5179.50000107.6
344P42.4Very low53.9Low52 Ų5270.6 Ų70.634%0.33843%0.425SS..  trans-63.3145.1179.223.6-29.9000109.3V342 S346 P733V342-P344 WeakPolarHBondContact O-CD 3.42Å; P344-S346 PolarHBondContact O-N 3.4Å; P344-S346 VanDerWaalsContact O-N 3.13Å; P344-P733 HydrophobicContact CB-CB 3.78Å; P344-P733 HydrophobicContact CG-CB 3.81Å
345F45.2Very low56.5Low74 Ų7467.2 Ų67.233%0.32541%0.408SS..  trans-46121.1175.1-107.9-96.6000110.1A347 V583 L587F345-A347 PolarHBondContact O-N 3.2Å; F345-V583 HydrophobicContact CE2-CG1 4.13Å; F345-L587 HydrophobicContact CD2-CD1 4.04Å; F345-L587 HydrophobicContact CE2-CB 4.12Å; F345-L587 HydrophobicContact CE2-CD1 3.53Å; F345-L587 HydrophobicContact CE2-CG 4.5Å; F345-L587 HydrophobicContact CZ-CB 4.03Å; F345-L587 HydrophobicContact CZ-CD1 4.21Å
346S41Very low58.7Low127 Ų12766.3 Ų66.389%0.88841%0.413SS*.  trans-7313.6-17962.50000114P344P344-S346 PolarHBondContact O-N 3.4Å; P344-S346 VanDerWaalsContact O-N 3.13Å
347A48.4Very low61.2Low17 Ų1761.6 Ų61.614%0.1438%0.38CS..SBendtrans-87.9124.8-178.300000111.2F345 G349 W360F345-A347 PolarHBondContact O-N 3.2Å; A347-G349 PolarHBondContact O-N 3.26Å; A347-G349 VanDerWaalsContact O-N 3.16Å; A347-W360 HydrophobicContact CB-CZ2 4.34Å
348V61.8Low63.6Low145 Ų14558 Ų5888%0.87936%0.356SS*.  trans-53.8118.7167.9-178.20000108.8
349G72.5Confident65.9Low28 Ų2857.9 Ų57.929%0.28936%0.355SS..  trans-149.6165.3-179.100000111.3A347A347-G349 PolarHBondContact O-N 3.26Å; A347-G349 VanDerWaalsContact O-N 3.16Å
350I83.9Confident68.4Low73 Ų7355.3 Ų55.337%0.37433%0.333SS..EExtended strand (participates in β ladder)trans-100.5125-178.6-53.2170.3000108.8Y352 W360 S361 A364I350-Y352 HydrophobicContact CB-CE2 4.19Å; I350-Y352 HydrophobicContact CG2-CE1 3.77Å; I350-Y352 HydrophobicContact CG2-CE2 4.01Å; I350-Y352 VanDerWaalsContact CG2-CZ 3.46Å; I350-Y352 VanDerWaalsContact CG2-OH 3.31Å; I350-Y352 WeakPolarHBondContact CG2-OH 3.42Å; I350-Y352 WeakPolarHBondContact O-CE2 3.27Å; I350-W360 WeakPolarHBondContact O-CA 3.4Å; I350-S361 PolarHBondContact N-O 2.97Å; I350-S361 PolarHBondContact O-N 3.45Å; I350-A364 HydrophobicContact CD1-CB 4.14Å
351T85.4Confident70.4Confident21 Ų2154.5 Ų54.513%0.12933%0.329CS..EExtended strand (participates in β ladder)trans-100.6129.3175.7-56.10000111L358 G359 L730 K731T351-L358 HydrophobicContact CG2-CD1 3.58Å; T351-G359 CarbonylContact C-O 3.56Å; T351-G359 VanDerWaalsContact CA-O 3.28Å; T351-G359 WeakPolarHBondContact CA-O 3.24Å; T351-L730 PolarHBondContact OG1-O 2.97Å; T351-K731 HydrophobicContact CG2-CG 3.9Å
352Y87Confident72.8Confident28 Ų2856.2 Ų56.211%0.1132%0.321CS..EExtended strand (participates in β ladder)trans-107.8143.3176.6-53-80.7000109.9I350 L358 G359 H363 A364 V365 F401I350-Y352 HydrophobicContact CB-CE2 4.19Å; I350-Y352 HydrophobicContact CG2-CE1 3.77Å; I350-Y352 HydrophobicContact CG2-CE2 4.01Å; I350-Y352 VanDerWaalsContact CG2-CZ 3.46Å; I350-Y352 VanDerWaalsContact CG2-OH 3.31Å; I350-Y352 WeakPolarHBondContact CG2-OH 3.42Å; I350-Y352 WeakPolarHBondContact O-CE2 3.27Å; Y352-L358 CarbonylContact O-C 3.53Å; Y352-L358 WeakPolarHBondContact O-CA 3.17Å; Y352-G359 PolarHBondContact N-O 3.26Å; Y352-G359 PolarHBondContact O-N 3.34Å; Y352-H363 PolarHBondContact OH-O 2.96Å; Y352-A364 VanDerWaalsContact OH-CA 3.25Å; Y352-A364 WeakPolarHBondContact OH-CA 3.36Å; Y352-V365 HydrophobicContact CE2-CB 4.25Å; Y352-V365 HydrophobicContact CE2-CG2 4.44Å; Y352-V365 PolarHBondContact OH-N 3.06Å; Y352-F401 HydrophobicContact CD1-CE1 4.4Å; Y352-F401 HydrophobicContact CG-CE1 4.18Å
353N84.4Confident74.9Confident51 Ų5156 Ų5627%0.27332%0.315SS..  trans-141.837.2177.767.5-19.1000113V357 L358 Y727 K731N353-V357 CarbonylContact C-O 3.58Å; N353-V357 VanDerWaalsContact CA-O 3.27Å; N353-V357 WeakPolarHBondContact CA-O 3.37Å; N353-L358 HydrophobicContact CB-CD1 4.47Å; N353-Y727 HydrophobicContact CB-CD2 3.98Å; N353-Y727 HydrophobicContact CB-CG 4.29Å; N353-K731 VanDerWaalsContact CG-CE 3.42Å; N353-K731 VanDerWaalsContact ND2-CE 3.35Å; N353-K731 WeakPolarHBondContact ND2-CE 3.46Å; N353-K731 VanDerWaalsContact OD1-CE 3.31Å; N353-K731 WeakPolarHBondContact OD1-CE 3.48Å; N353-K731 PolarHBondContact OD1-NZ 2.96Å
354N85Confident77.4Confident82 Ų8253.5 Ų53.544%0.43931%0.309SS..  trans-98.9154.6-176.5-56.354.6000110.7G356 V357 F401N354-G356 PolarHBondContact O-N 3.21Å; N354-V357 PolarHBondContact O-N 3.31Å; N354-F401 HydrophobicContact CB-CZ 4.14Å
355Y86.5Confident79.6Confident114 Ų11451.6 Ų51.645%0.44730%0.296SS..THydrogen-bonded Turntrans59.824176.9-44.7-68.3000115V357 P367 A397 F401Y355-V357 VanDerWaalsContact C-N 3.3Å; Y355-P367 HydrophobicContact CE2-CB 4.04Å; Y355-P367 HydrophobicContact CE2-CG 3.99Å; Y355-A397 WeakPolarHBondContact O-CB 3.38Å; Y355-F401 AromaticContact CD2-CE2 3.97Å; Y355-F401 HydrophobicContact CD2-CE2 3.97Å; Y355-F401 AromaticContact CD2-CZ 4Å; Y355-F401 HydrophobicContact CD2-CZ 4Å; Y355-F401 HydrophobicContact CE2-CZ 4.43Å
356G85.9Confident81.7Confident40 Ų4053.7 Ų53.741%0.41232%0.315SS..THydrogen-bonded Turntrans82.71.6-179.800000114.8N354 Y727N354-G356 PolarHBondContact O-N 3.21Å; G356-Y727 PolarHBondContact O-OH 3.1Å; G356-Y727 VanDerWaalsContact O-OH 3.14Å
357V91Very high84.2Confident0 Ų049.3 Ų49.30%028%0.283CS..  trans-106.6135.4-179.4168.90000110N353 N354 Y355 A397 V398 F401 L596 F597N353-V357 CarbonylContact C-O 3.58Å; N353-V357 VanDerWaalsContact CA-O 3.27Å; N353-V357 WeakPolarHBondContact CA-O 3.37Å; N354-V357 PolarHBondContact O-N 3.31Å; Y355-V357 VanDerWaalsContact C-N 3.3Å; V357-A397 HydrophobicContact CG2-CB 3.43Å; V357-A397 VanDerWaalsContact CG2-CB 3.43Å; V357-V398 HydrophobicContact CG1-CG1 4.22Å; V357-V398 HydrophobicContact CG2-CG1 3.74Å; V357-F401 HydrophobicContact CB-CE2 4.31Å; V357-F401 HydrophobicContact CG1-CD2 4.36Å; V357-F401 HydrophobicContact CG1-CE2 4.4Å; V357-L596 HydrophobicContact CG1-CB 4.38Å; V357-L596 HydrophobicContact CG1-CD2 4.05Å; V357-F597 WeakPolarHBondContact CA-O 3.45Å; V357-F597 WeakPolarHBondContact CG1-O 3.4Å
358L92.9Very high86.2Confident2 Ų248.8 Ų48.81%0.0128%0.278CS..EExtended strand (participates in β ladder)trans-88.9124.2163.2-177.777.9000108.7T351 Y352 N353 L596 F597 A603 Y727 L730T351-L358 HydrophobicContact CG2-CD1 3.58Å; Y352-L358 CarbonylContact O-C 3.53Å; Y352-L358 WeakPolarHBondContact O-CA 3.17Å; N353-L358 HydrophobicContact CB-CD1 4.47Å; L358-L596 CarbonylContact O-C 3.53Å; L358-L596 WeakPolarHBondContact O-CA 3.5Å; L358-F597 HydrophobicContact CB-CB 4.29Å; L358-F597 HydrophobicContact CD2-CD2 4.17Å; L358-F597 PolarHBondContact N-O 3.5Å; L358-F597 PolarHBondContact O-N 3.43Å; L358-A603 HydrophobicContact CB-CB 4.37Å; L358-A603 HydrophobicContact CD2-CB 3.76Å; L358-Y727 HydrophobicContact CB-CD1 3.97Å; L358-Y727 HydrophobicContact CB-CD2 4.47Å; L358-Y727 HydrophobicContact CB-CE1 3.72Å; L358-Y727 HydrophobicContact CB-CE2 4.25Å; L358-Y727 HydrophobicContact CB-CG 4.33Å; L358-Y727 HydrophobicContact CD1-CD1 4.13Å; L358-Y727 HydrophobicContact CD1-CG 4.13Å; L358-Y727 HydrophobicContact CD2-CD1 4.47Å; L358-Y727 HydrophobicContact CG-CD1 4.43Å; L358-L730 HydrophobicContact CD1-CB 4.22Å; L358-L730 HydrophobicContact CD1-CD1 4.38Å; L358-L730 HydrophobicContact CD2-CB 4.23Å; L358-L730 HydrophobicContact CD2-CD1 3.46Å; L358-L730 VanDerWaalsContact CD2-CD1 3.46Å; L358-L730 HydrophobicContact CD2-CG 4.43Å
359G92.8Very high87.5Confident0 Ų047.2 Ų47.20%026%0.257CS..EExtended strand (participates in β ladder)trans-118.7146.3173.300000111.4T351 Y352 V595T351-G359 CarbonylContact C-O 3.56Å; T351-G359 VanDerWaalsContact CA-O 3.28Å; T351-G359 WeakPolarHBondContact CA-O 3.24Å; Y352-G359 PolarHBondContact N-O 3.26Å; Y352-G359 PolarHBondContact O-N 3.34Å; G359-V595 CarbonylContact C-O 3.57Å; G359-V595 VanDerWaalsContact CA-O 3.24Å; G359-V595 WeakPolarHBondContact CA-O 3.3Å
360W91.8Very high88.1Confident23 Ų2346.2 Ų46.29%0.08725%0.247CC..EExtended strand (participates in β ladder)trans-134.9131.9169.117989.5000109.8A347 I350 R362 V593 L594 V595A347-W360 HydrophobicContact CB-CZ2 4.34Å; I350-W360 WeakPolarHBondContact O-CA 3.4Å; W360-R362 HydrophobicContact CH2-CG 4Å; W360-R362 HydrophobicContact CZ2-CG 4.47Å; W360-V593 HydrophobicContact CZ3-CG1 3.96Å; W360-L594 WeakPolarHBondContact O-CA 3.06Å; W360-V595 HydrophobicContact CE3-CG2 4.12Å; W360-V595 PolarHBondContact N-O 2.96Å; W360-V595 PolarHBondContact O-N 3.3Å
361S90.4Very high88.1Confident0 Ų043.1 Ų43.10%023%0.231CC..EExtended strand (participates in β ladder)trans-150.1150.4177.3177.40000110.6I350 H363I350-S361 PolarHBondContact N-O 2.97Å; I350-S361 PolarHBondContact O-N 3.45Å; S361-H363 WeakPolarHBondContact CB-O 3.44Å; S361-H363 PolarHBondContact O-N 3.14Å; S361-H363 PolarHBondContact OG-N 3.27Å; S361-H363 PolarHBondContact OG-O 3.32Å; S361-H363 VanDerWaalsContact OG-O 3.05Å
362R83.4Confident88Confident108 Ų10847.2 Ų47.241%0.40826%0.256SS..SBendtrans-70.4-20.5168.7-63.4-179.7-171.6-98-2.7112.6W360 P591W360-R362 HydrophobicContact CH2-CG 4Å; W360-R362 HydrophobicContact CZ2-CG 4.47Å; R362-P591 VanDerWaalsContact CD-O 3.3Å; R362-P591 WeakPolarHBondContact CD-O 3.25Å; R362-P591 PolarHBondContact NE-O 2.98Å; R362-P591 VanDerWaalsContact NE-O 3.17Å
363H84.7Confident87.9Confident58 Ų5851.1 Ų51.127%0.26928%0.276SS..SBendtrans-111.9149.8-175.8-61.898.4000111.6Y352 S361 V365 K410 D592Y352-H363 PolarHBondContact OH-O 2.96Å; S361-H363 WeakPolarHBondContact CB-O 3.44Å; S361-H363 PolarHBondContact O-N 3.14Å; S361-H363 PolarHBondContact OG-N 3.27Å; S361-H363 PolarHBondContact OG-O 3.32Å; S361-H363 VanDerWaalsContact OG-O 3.05Å; H363-V365 PolarHBondContact O-N 3.2Å; H363-K410 PolarHBondContact CD2-NZ 3.16Å; H363-D592 IonicContact CE1-OD1 3.43Å; H363-D592 PolarHBondContact CE1-OD1 3.12Å; H363-D592 VanDerWaalsContact CE1-OD1 3.29Å
364A87.9Confident87.8Confident81 Ų8148.7 Ų48.767%0.66926%0.263SS*.  trans-61.8122.3170.700000110.5I350 Y352I350-A364 HydrophobicContact CD1-CB 4.14Å; Y352-A364 VanDerWaalsContact OH-CA 3.25Å; Y352-A364 WeakPolarHBondContact OH-CA 3.36Å
365V89.7Confident87.4Confident11 Ų1147.1 Ų47.17%0.06726%0.257CS..  trans-112.8121.2173.1-176.90000108.7Y352 H363 F401 P404 H405 L594Y352-V365 HydrophobicContact CE2-CB 4.25Å; Y352-V365 HydrophobicContact CE2-CG2 4.44Å; Y352-V365 PolarHBondContact OH-N 3.06Å; H363-V365 PolarHBondContact O-N 3.2Å; V365-F401 HydrophobicContact CG1-CB 4.31Å; V365-F401 HydrophobicContact CG1-CD1 4.27Å; V365-P404 HydrophobicContact CG1-CG 4.33Å; V365-H405 HydrophobicContact CG1-CB 4.47Å; V365-H405 HydrophobicContact CG2-CB 4.43Å; V365-L594 HydrophobicContact CG1-CD2 4.49Å; V365-L594 HydrophobicContact CG2-CD1 4.25Å; V365-L594 HydrophobicContact CG2-CD2 4.38Å
366V90.1Very high87.3Confident118 Ų11846.7 Ų46.772%0.71526%0.262SS*.PPolyproline II helixtrans-94.3116.4172.5-178.30000107.7P404V366-P404 WeakPolarHBondContact O-CG 3.24Å
367P92.1Very high87.4Confident36 Ų3645 Ų4523%0.23424%0.244CC..PPolyproline II helixtrans-71.5142-178.527.9-32.8000111.5Y355 R400 F401Y355-P367 HydrophobicContact CE2-CB 4.04Å; Y355-P367 HydrophobicContact CE2-CG 3.99Å; P367-R400 CarbonylContact C-O 3.58Å; P367-R400 VanDerWaalsContact CA-O 3.22Å; P367-R400 WeakPolarHBondContact CA-O 3.34Å; P367-R400 HydrophobicContact CB-CB 4.2Å; P367-F401 HydrophobicContact CB-CD1 3.86Å; P367-F401 HydrophobicContact CB-CE1 3.73Å; P367-F401 HydrophobicContact CB-CG 4.37Å; P367-F401 HydrophobicContact CB-CZ 4.13Å; P367-F401 HydrophobicContact CG-CD1 4.45Å; P367-F401 HydrophobicContact CG-CE1 3.94Å; P367-F401 HydrophobicContact CG-CZ 4.41Å
368C91.5Very high87.4Confident5 Ų546.6 Ų46.63%0.03426%0.255CS..PPolyproline II helixtrans-91.8148169.664.30000111E373 R400C368-E373 HydrophobicContact CB-CB 3.78Å; C368-R400 PolarHBondContact N-O 3.1Å; C368-R400 WeakPolarHBondContact O-CA 3.49Å; C368-R400 WeakPolarHBondContact O-CB 3.47Å; C368-R400 WeakPolarHBondContact O-CG 3.34Å; C368-R400 PolarHBondContact SG-O 3.12Å; C368-R400 VanDerWaalsContact SG-O 3.41Å
369Y88.1Confident87.2Confident112 Ų11251.5 Ų51.544%0.43929%0.285SS..SBendtrans-83.5-34.6176.3-169.3-100000113E373 R394 A395Y369-E373 VanDerWaalsContact CB-OE2 3.3Å; Y369-E373 WeakPolarHBondContact CB-OE2 3.41Å; Y369-E373 PolarHBondContact N-OE2 3.21Å; Y369-R394 HydrophobicContact CE1-CB 4.23Å; Y369-A395 PolarHBondContact O-N 3.45Å
370G86Confident87.1Confident7 Ų754.5 Ų54.57%0.07230%0.301CS..SBendtrans-151.5-178.1-177.900000112.7T372 E373 A374G370-T372 PolarHBondContact O-N 3.05Å; G370-E373 PolarHBondContact O-N 3.03Å; G370-A374 PolarHBondContact O-N 3.2Å
371L83.9Confident87.2Confident8 Ų853.4 Ų53.44%0.04230%0.296CS..THydrogen-bonded Turntrans-61.4-28.6-178.1-75.9169.3000113.6E373 A374 R382 M385 Q386 A391 W403L371-E373 VanDerWaalsContact C-N 3.3Å; L371-E373 PolarHBondContact O-N 2.65Å; L371-A374 PolarHBondContact O-N 3.22Å; L371-R382 HydrophobicContact CB-CG 4.39Å; L371-R382 PolarHBondContact O-NE 3.24Å; L371-R382 PolarHBondContact O-NH1 3.14Å; L371-M385 HydrophobicContact CD1-CB 4.17Å; L371-M385 HydrophobicContact CD2-CE 3.51Å; L371-M385 HydrophobicContact CD2-SD 3.67Å; L371-Q386 HydrophobicContact CD1-CG 4.24Å; L371-A391 HydrophobicContact CD1-CB 3.86Å; L371-A391 HydrophobicContact CG-CB 3.85Å; L371-W403 HydrophobicContact CD2-CE3 4.2Å; L371-W403 HydrophobicContact CD2-CH2 3.42Å; L371-W403 VanDerWaalsContact CD2-CH2 3.42Å; L371-W403 HydrophobicContact CD2-CZ2 4.09Å; L371-W403 HydrophobicContact CD2-CZ3 3.48Å; L371-W403 VanDerWaalsContact CD2-CZ3 3.48Å; L371-W403 HydrophobicContact CG-CH2 3.94Å; L371-W403 HydrophobicContact CG-CZ3 3.93Å
372T82.6Confident87.2Confident107 Ų10756 Ų5666%0.65631%0.306SS*.THydrogen-bonded Turntrans-63.1-38.1179.644.90000112.3G370 R382G370-T372 PolarHBondContact O-N 3.05Å; T372-R382 VanDerWaalsContact CA-NH1 3.32Å; T372-R382 PolarHBondContact O-NH1 3Å
373E84.3Confident87.4Confident110 Ų11058 Ų5851%0.51431%0.314SS..THydrogen-bonded Turntrans-89.7-8.6-177.4-67.4169-148.700113.3C368 Y369 G370 L371 P375C368-E373 HydrophobicContact CB-CB 3.78Å; Y369-E373 VanDerWaalsContact CB-OE2 3.3Å; Y369-E373 WeakPolarHBondContact CB-OE2 3.41Å; Y369-E373 PolarHBondContact N-OE2 3.21Å; G370-E373 PolarHBondContact O-N 3.03Å; L371-E373 VanDerWaalsContact C-N 3.3Å; L371-E373 PolarHBondContact O-N 2.65Å; E373-P375 VanDerWaalsContact O-CD 3.28Å; E373-P375 WeakPolarHBondContact O-CD 3.35Å
374A83.3Confident87.7Confident0 Ų055.2 Ų55.20%030%0.301CS..SBendtrans-72.3112.217900000110G370 L371 I377 R382 W403G370-A374 PolarHBondContact O-N 3.2Å; L371-A374 PolarHBondContact O-N 3.22Å; A374-I377 HydrophobicContact CB-CD1 3.83Å; A374-I377 HydrophobicContact CB-CG1 4.3Å; A374-R382 PolarHBondContact O-NH2 3.14Å; A374-W403 HydrophobicContact CB-CB 4.19Å; A374-W403 HydrophobicContact CB-CE3 3.9Å
375P77.1Confident87.9Confident50 Ų5051.3 Ų51.333%0.32527%0.269SS..THydrogen-bonded Turntrans-67.1146.2-176.429-33.4000110.5E373 I377 P404 S407E373-P375 VanDerWaalsContact O-CD 3.28Å; E373-P375 WeakPolarHBondContact O-CD 3.35Å; P375-I377 PolarHBondContact O-N 3.2Å; P375-P404 HydrophobicContact CG-CB 3.68Å; P375-S407 WeakPolarHBondContact O-CB 3.47Å; P375-S407 PolarHBondContact O-OG 2.92Å
376D84Confident87.9Confident104 Ų10455.8 Ų55.856%0.55629%0.289SS*.THydrogen-bonded Turntrans61.39.6172.3-50.8-35.3000117.2Q432D376-Q432 PolarHBondContact O-NE2 3.22Å
377I88.3Confident87.7Confident5 Ų556 Ų563%0.02628%0.282CS..  trans-86.8117.6163.3-55.2-175.6000108.7A374 P375 I381 R382 W403A374-I377 HydrophobicContact CB-CD1 3.83Å; A374-I377 HydrophobicContact CB-CG1 4.3Å; P375-I377 PolarHBondContact O-N 3.2Å; I377-I381 HydrophobicContact CG2-CB 4.05Å; I377-I381 HydrophobicContact CG2-CG2 3.58Å; I377-R382 HydrophobicContact CG2-CG 3.9Å; I377-R382 PolarHBondContact O-NE 3.15Å; I377-R382 PolarHBondContact O-NH2 3.18Å; I377-W403 HydrophobicContact CD1-CB 4.16Å; I377-W403 HydrophobicContact CD1-CD2 4.25Å; I377-W403 HydrophobicContact CD1-CG 4.02Å
378S90.1Very high87.5Confident33 Ų3356.8 Ų56.823%0.23128%0.284CS..  trans-61.7153.7-178.266.70000113I380 I381 R382 Q432S378-I380 PolarHBondContact O-N 3.08Å; S378-I381 PolarHBondContact O-N 3.47Å; S378-I381 WeakPolarHBondContact OG-CB 3.47Å; S378-I381 WeakPolarHBondContact OG-CG1 3.06Å; S378-I381 PolarHBondContact OG-N 2.78Å; S378-R382 VanDerWaalsContact O-CG 3.29Å; S378-R382 WeakPolarHBondContact O-CG 3.21Å; S378-R382 PolarHBondContact O-N 2.93Å; S378-Q432 PolarHBondContact OG-OE1 2.94Å
379T89.6Confident87.3Confident106 Ų10658 Ų5865%0.6530%0.297SS*.Hα-helixtrans-60.1-32.5176.951.70000112.6R383T379-R383 PolarHBondContact O-N 2.8Å
380I91.1Very high87.2Confident62 Ų6253.5 Ų53.532%0.31828%0.281SS..Hα-helixtrans-65.9-51.2177-60.2175.4000110.4S378 R382 R383 A384 L473 L474S378-I380 PolarHBondContact O-N 3.08Å; I380-R382 VanDerWaalsContact C-N 3.33Å; I380-R382 PolarHBondContact O-N 3.49Å; I380-R383 WeakPolarHBondContact O-CB 3.15Å; I380-R383 PolarHBondContact O-N 2.89Å; I380-R383 VanDerWaalsContact O-N 3.14Å; I380-A384 PolarHBondContact O-N 3.29Å; I380-L473 HydrophobicContact CG2-CB 3.66Å; I380-L473 WeakPolarHBondContact CG2-O 3.22Å; I380-L474 HydrophobicContact CB-CD2 4.07Å; I380-L474 HydrophobicContact CD1-CD2 4.38Å; I380-L474 HydrophobicContact CG2-CD2 3.83Å; I380-L474 HydrophobicContact CG2-CG 4.35Å
381I92.4Very high86.9Confident0 Ų054.1 Ų54.10%029%0.285CS..Hα-helixtrans-62.2-41.3176.7-71-67.1000111.2I377 S378 R383 A384 M385 P428 Q432 L470 L474I377-I381 HydrophobicContact CG2-CB 4.05Å; I377-I381 HydrophobicContact CG2-CG2 3.58Å; S378-I381 PolarHBondContact O-N 3.47Å; S378-I381 WeakPolarHBondContact OG-CB 3.47Å; S378-I381 WeakPolarHBondContact OG-CG1 3.06Å; S378-I381 PolarHBondContact OG-N 2.78Å; I381-R383 VanDerWaalsContact C-N 3.27Å; I381-R383 PolarHBondContact O-N 3.38Å; I381-A384 WeakPolarHBondContact O-CB 3.32Å; I381-A384 PolarHBondContact O-N 3.08Å; I381-M385 HydrophobicContact CG2-CG 4.27Å; I381-M385 HydrophobicContact CG2-SD 3.92Å; I381-M385 WeakPolarHBondContact O-CB 3.45Å; I381-M385 VanDerWaalsContact O-CG 3.25Å; I381-M385 WeakPolarHBondContact O-CG 3.27Å; I381-M385 PolarHBondContact O-N 3.11Å; I381-P428 HydrophobicContact CG2-CB 3.72Å; I381-Q432 HydrophobicContact CG1-CB 4.06Å; I381-Q432 HydrophobicContact CG1-CG 4.24Å; I381-L470 HydrophobicContact CD1-CB 4.03Å; I381-L470 HydrophobicContact CD1-CD2 4.18Å; I381-L470 WeakPolarHBondContact CD1-O 3.28Å; I381-L470 HydrophobicContact CG2-CD2 4.29Å; I381-L474 HydrophobicContact CD1-CD1 3.87Å; I381-L474 HydrophobicContact CD1-CD2 4.37Å; I381-L474 HydrophobicContact CD1-CG 4.13Å; I381-L474 HydrophobicContact CG1-CD1 4.36Å; I381-L474 HydrophobicContact CG1-CD2 4.19Å; I381-L474 HydrophobicContact CG1-CG 4.49Å
382R90.8Very high86.4Confident55 Ų5563.4 Ų63.421%0.20832%0.32CS..Hα-helixtrans-57.1-41.7174.8-69.3175.6-163-158.8-6.5111.6L371 T372 A374 I377 S378 I380 M385 Q386L371-R382 HydrophobicContact CB-CG 4.39Å; L371-R382 PolarHBondContact O-NE 3.24Å; L371-R382 PolarHBondContact O-NH1 3.14Å; T372-R382 VanDerWaalsContact CA-NH1 3.32Å; T372-R382 PolarHBondContact O-NH1 3Å; A374-R382 PolarHBondContact O-NH2 3.14Å; I377-R382 HydrophobicContact CG2-CG 3.9Å; I377-R382 PolarHBondContact O-NE 3.15Å; I377-R382 PolarHBondContact O-NH2 3.18Å; S378-R382 VanDerWaalsContact O-CG 3.29Å; S378-R382 WeakPolarHBondContact O-CG 3.21Å; S378-R382 PolarHBondContact O-N 2.93Å; I380-R382 VanDerWaalsContact C-N 3.33Å; I380-R382 PolarHBondContact O-N 3.49Å; R382-M385 PolarHBondContact O-N 3.43Å; R382-Q386 VanDerWaalsContact O-CG 3.31Å; R382-Q386 WeakPolarHBondContact O-CG 3.4Å; R382-Q386 PolarHBondContact O-N 2.96Å
383R88.6Confident86.1Confident149 Ų14963.4 Ų63.456%0.56232%0.324SS*.Hα-helixtrans-65.1-44.9176.8-173.3-177.3-68.1145.3-2.7111.7T379 I380 I381 M385 Q386 Q387T379-R383 PolarHBondContact O-N 2.8Å; I380-R383 WeakPolarHBondContact O-CB 3.15Å; I380-R383 PolarHBondContact O-N 2.89Å; I380-R383 VanDerWaalsContact O-N 3.14Å; I381-R383 VanDerWaalsContact C-N 3.27Å; I381-R383 PolarHBondContact O-N 3.38Å; R383-M385 VanDerWaalsContact C-N 3.32Å; R383-M385 PolarHBondContact O-N 2.83Å; R383-Q386 PolarHBondContact O-N 3.12Å; R383-Q387 WeakPolarHBondContact O-CG 3.49Å; R383-Q387 PolarHBondContact O-N 2.9Å
384A90.9Very high86.2Confident0 Ų065.2 Ų65.20%033%0.326CS..Hα-helixtrans-57.7-46174.900000111.4I380 I381 Q386 Q387 M388 L470 L473I380-A384 PolarHBondContact O-N 3.29Å; I381-A384 WeakPolarHBondContact O-CB 3.32Å; I381-A384 PolarHBondContact O-N 3.08Å; A384-Q386 VanDerWaalsContact C-N 3.33Å; A384-Q386 PolarHBondContact O-N 2.79Å; A384-Q387 PolarHBondContact O-N 2.96Å; A384-M388 HydrophobicContact CB-CE 4.29Å; A384-M388 VanDerWaalsContact O-CE 3.24Å; A384-M388 WeakPolarHBondContact O-CE 3.3Å; A384-M388 PolarHBondContact O-N 3.49Å; A384-M388 VanDerWaalsContact O-N 3.12Å; A384-L470 HydrophobicContact CB-CD2 3.88Å; A384-L473 HydrophobicContact CB-CD1 3.64Å; A384-L473 HydrophobicContact CB-CG 4.32Å
385M91.8Very high86.5Confident0 Ų065.3 Ų65.30%033%0.327CS..Hα-helixtrans-58.8-43.7176.8-70.4177.377.200112L371 I381 R382 R383 M388 G389 V390 W403 W424 P428 L470L371-M385 HydrophobicContact CD1-CB 4.17Å; L371-M385 HydrophobicContact CD2-CE 3.51Å; L371-M385 HydrophobicContact CD2-SD 3.67Å; I381-M385 HydrophobicContact CG2-CG 4.27Å; I381-M385 HydrophobicContact CG2-SD 3.92Å; I381-M385 WeakPolarHBondContact O-CB 3.45Å; I381-M385 VanDerWaalsContact O-CG 3.25Å; I381-M385 WeakPolarHBondContact O-CG 3.27Å; I381-M385 PolarHBondContact O-N 3.11Å; R382-M385 PolarHBondContact O-N 3.43Å; R383-M385 VanDerWaalsContact C-N 3.32Å; R383-M385 PolarHBondContact O-N 2.83Å; M385-M388 PolarHBondContact O-N 3.14Å; M385-G389 PolarHBondContact O-N 3.01Å; M385-V390 HydrophobicContact CB-CB 4.14Å; M385-V390 HydrophobicContact CE-CB 4.43Å; M385-V390 HydrophobicContact CE-CG1 3.66Å; M385-V390 WeakPolarHBondContact O-CB 3.3Å; M385-V390 PolarHBondContact O-N 2.84Å; M385-W403 HydrophobicContact CE-CH2 4.07Å; M385-W403 HydrophobicContact CE-CZ2 3.59Å; M385-W424 HydrophobicContact CE-CE3 4.22Å; M385-W424 HydrophobicContact CG-CZ3 4.15Å; M385-P428 HydrophobicContact CE-CB 4.2Å; M385-P428 HydrophobicContact CE-CG 3.45Å; M385-P428 VanDerWaalsContact CE-CG 3.45Å; M385-P428 HydrophobicContact CG-CG 4.35Å; M385-P428 HydrophobicContact SD-CB 3.61Å; M385-P428 HydrophobicContact SD-CG 3.53Å; M385-P428 VanDerWaalsContact SD-CG 3.53Å; M385-L470 HydrophobicContact CG-CD2 3.94Å
386Q88.5Confident87.2Confident104 Ų10469 Ų6949%0.48633%0.334SS..Hα-helixtrans-63.7-40.9177.5-74171.3-18.700112.7L371 R382 R383 A384 M388 G389L371-Q386 HydrophobicContact CD1-CG 4.24Å; R382-Q386 VanDerWaalsContact O-CG 3.31Å; R382-Q386 WeakPolarHBondContact O-CG 3.4Å; R382-Q386 PolarHBondContact O-N 2.96Å; R383-Q386 PolarHBondContact O-N 3.12Å; A384-Q386 VanDerWaalsContact C-N 3.33Å; A384-Q386 PolarHBondContact O-N 2.79Å; Q386-M388 VanDerWaalsContact C-N 3.29Å; Q386-M388 PolarHBondContact O-N 3.41Å; Q386-G389 WeakPolarHBondContact O-CA 3.4Å; Q386-G389 PolarHBondContact O-N 2.91Å
387Q87.5Confident87.6Confident122 Ų12265 Ų6557%0.5732%0.316SS*.Hα-helixtrans-60.9-39175.9-73174.9-15.300111.8R383 A384 G389R383-Q387 WeakPolarHBondContact O-CG 3.49Å; R383-Q387 PolarHBondContact O-N 2.9Å; A384-Q387 PolarHBondContact O-N 2.96Å; Q387-G389 PolarHBondContact O-N 3.42Å
388M88.2Confident87.8Confident54 Ų5464.8 Ų64.827%0.26632%0.315SS..THydrogen-bonded Turntrans-77.24.4174-67.6-178.6-77.200114A384 M385 Q386 V390 W424 T469 L470A384-M388 HydrophobicContact CB-CE 4.29Å; A384-M388 VanDerWaalsContact O-CE 3.24Å; A384-M388 WeakPolarHBondContact O-CE 3.3Å; A384-M388 PolarHBondContact O-N 3.49Å; A384-M388 VanDerWaalsContact O-N 3.12Å; M385-M388 PolarHBondContact O-N 3.14Å; Q386-M388 VanDerWaalsContact C-N 3.29Å; Q386-M388 PolarHBondContact O-N 3.41Å; M388-V390 VanDerWaalsContact C-N 3.27Å; M388-V390 HydrophobicContact CB-CG2 4.22Å; M388-V390 PolarHBondContact O-N 3.43Å; M388-W424 HydrophobicContact CE-CH2 3.47Å; M388-W424 VanDerWaalsContact CE-CH2 3.47Å; M388-W424 HydrophobicContact CE-CZ2 4.43Å; M388-W424 HydrophobicContact CE-CZ3 4.15Å; M388-W424 HydrophobicContact SD-CH2 3.75Å; M388-W424 HydrophobicContact SD-CZ2 4.18Å; M388-T469 HydrophobicContact CE-CG2 3.99Å; M388-T469 HydrophobicContact CG-CG2 3.84Å; M388-T469 HydrophobicContact SD-CG2 3.63Å; M388-L470 HydrophobicContact CE-CD2 3.54Å; M388-L470 HydrophobicContact CE-CG 3.83Å
389G85.7Confident88Confident30 Ų3063.4 Ų63.431%0.30931%0.305SS..THydrogen-bonded Turntrans72.815.4-179.700000115M385 Q386 Q387M385-G389 PolarHBondContact O-N 3.01Å; Q386-G389 WeakPolarHBondContact O-CA 3.4Å; Q386-G389 PolarHBondContact O-N 2.91Å; Q387-G389 PolarHBondContact O-N 3.42Å
390V85.8Confident88.2Confident17 Ų1759 Ų5910%0.10328%0.276CS..THydrogen-bonded Turntrans-79.6127.6177.2-176.50000109.7M385 M388 R392 W424M385-V390 HydrophobicContact CB-CB 4.14Å; M385-V390 HydrophobicContact CE-CB 4.43Å; M385-V390 HydrophobicContact CE-CG1 3.66Å; M385-V390 WeakPolarHBondContact O-CB 3.3Å; M385-V390 PolarHBondContact O-N 2.84Å; M388-V390 VanDerWaalsContact C-N 3.27Å; M388-V390 HydrophobicContact CB-CG2 4.22Å; M388-V390 PolarHBondContact O-N 3.43Å; V390-R392 VanDerWaalsContact C-N 3.27Å; V390-R392 PolarHBondContact O-N 3.08Å; V390-W424 HydrophobicContact CG1-CD2 4.23Å; V390-W424 HydrophobicContact CG1-CE3 4.11Å; V390-W424 HydrophobicContact CG2-CD2 3.87Å; V390-W424 HydrophobicContact CG2-CE3 4Å; V390-W424 HydrophobicContact CG2-CH2 3.93Å; V390-W424 HydrophobicContact CG2-CZ2 3.76Å; V390-W424 HydrophobicContact CG2-CZ3 4.03Å
391A80.4Confident88.4Confident20 Ų2056.1 Ų56.117%0.16526%0.261CS..THydrogen-bonded Turntrans51.33917700000115L371 S393 R394 W403L371-A391 HydrophobicContact CD1-CB 3.86Å; L371-A391 HydrophobicContact CG-CB 3.85Å; A391-S393 PolarHBondContact O-N 3.19Å; A391-S393 VanDerWaalsContact O-N 3.17Å; A391-R394 WeakPolarHBondContact CA-O 3.38Å; A391-W403 HydrophobicContact CB-CH2 3.76Å; A391-W403 HydrophobicContact CB-CZ3 4.48Å
392R74.6Confident88.5Confident203 Ų20356.1 Ų56.177%0.76626%0.261SS*.SBendtrans-49.9-39.2176.9-76.2-174.3176.1166.34.6113.8V390V390-R392 VanDerWaalsContact C-N 3.27Å; V390-R392 PolarHBondContact O-N 3.08Å
393S75.5Confident88.7Confident107 Ų10753.5 Ų53.575%0.74825%0.251SS*.SBendtrans-116.7-35.6179.457.90000113.8A391A391-S393 PolarHBondContact O-N 3.19Å; A391-S393 VanDerWaalsContact O-N 3.17Å
394R85.9Confident88.9Confident149 Ų14947 Ų4756%0.56223%0.229SC*.SBendtrans-159.6154.8179.963.5-171.4-177.2-179.8-0.8111.7Y369 A391Y369-R394 HydrophobicContact CE1-CB 4.23Å; A391-R394 WeakPolarHBondContact CA-O 3.38Å
395A90.5Very high89Confident1 Ų147.2 Ų47.21%0.00823%0.23CC..  trans-67.9143.6170.300000110.7Y369 Q399 R400 W403Y369-A395 PolarHBondContact O-N 3.45Å; A395-Q399 HydrophobicContact CB-CB 4.42Å; A395-R400 HydrophobicContact CB-CG 3.87Å; A395-R400 PolarHBondContact O-NE 3.33Å; A395-R400 PolarHBondContact O-NH2 3.27Å; A395-W403 HydrophobicContact CB-CE3 4.1Å; A395-W403 HydrophobicContact CB-CH2 3.9Å; A395-W403 HydrophobicContact CB-CZ3 3.45Å; A395-W403 VanDerWaalsContact CB-CZ3 3.45Å
396R91.8Very high89.1Confident127 Ų12747.2 Ų47.248%0.47923%0.23SC..  trans-69.5155.9173.4-60.9-176.2175.3-170.5-7110.4V398 Q399 R400 Q419 I420R396-V398 PolarHBondContact O-N 2.94Å; R396-Q399 HydrophobicContact CB-CG 4.19Å; R396-Q399 VanDerWaalsContact N-OE1 3.09Å; R396-Q399 WeakPolarHBondContact O-CA 3.49Å; R396-Q399 WeakPolarHBondContact O-CB 3.33Å; R396-Q399 PolarHBondContact O-N 3.24Å; R396-R400 WeakPolarHBondContact O-CG 3.35Å; R396-R400 PolarHBondContact O-N 2.97Å; R396-R400 VanDerWaalsContact O-N 3.14Å; R396-Q419 PolarHBondContact NH1-O 2.83Å; R396-I420 VanDerWaalsContact CD-O 3.22Å; R396-I420 WeakPolarHBondContact CD-O 3.45Å; R396-I420 VanDerWaalsContact NH1-C 3.33Å
397A90.9Very high89.2Confident22 Ų2242.3 Ų42.318%0.18221%0.207CC..Hα-helixtrans-52.4-50-166.400000113.9Y355 V357 Q399 R400 F401Y355-A397 WeakPolarHBondContact O-CB 3.38Å; V357-A397 HydrophobicContact CG2-CB 3.43Å; V357-A397 VanDerWaalsContact CG2-CB 3.43Å; A397-Q399 PolarHBondContact O-N 3.42Å; A397-R400 WeakPolarHBondContact O-CB 3.43Å; A397-R400 PolarHBondContact O-N 3.16Å; A397-F401 WeakPolarHBondContact O-CD2 3.38Å
398V93.6Very high89.2Confident0 Ų040.6 Ų40.60%020%0.201CC..Hα-helixtrans-66.5-34.9177.1-65.80000113.3V357 R396 R400 F401 A402 V414 I420 L596 D598V357-V398 HydrophobicContact CG1-CG1 4.22Å; V357-V398 HydrophobicContact CG2-CG1 3.74Å; R396-V398 PolarHBondContact O-N 2.94Å; V398-R400 VanDerWaalsContact C-N 3.26Å; V398-R400 PolarHBondContact O-N 3.33Å; V398-F401 PolarHBondContact O-N 2.59Å; V398-A402 WeakPolarHBondContact O-CB 3.38Å; V398-A402 PolarHBondContact O-N 3.02Å; V398-V414 HydrophobicContact CB-CG1 4.11Å; V398-V414 HydrophobicContact CG1-CG1 4.15Å; V398-V414 HydrophobicContact CG2-CG1 4.25Å; V398-I420 HydrophobicContact CG1-CD1 4.39Å; V398-I420 HydrophobicContact CG2-CD1 4.46Å; V398-L596 HydrophobicContact CB-CD1 4.29Å; V398-L596 HydrophobicContact CG1-CB 4.44Å; V398-L596 WeakPolarHBondContact O-CD1 3.41Å; V398-D598 HydrophobicContact CG1-CB 3.77Å
399Q94.3Very high89.3Confident3 Ų338.2 Ų38.21%0.01419%0.191CC..Hα-helixtrans-65.6-31.4-179.1-64.5169.2-14.300111.9A395 R396 A397 F401 A402 W403 G421 W424A395-Q399 HydrophobicContact CB-CB 4.42Å; R396-Q399 HydrophobicContact CB-CG 4.19Å; R396-Q399 VanDerWaalsContact N-OE1 3.09Å; R396-Q399 WeakPolarHBondContact O-CA 3.49Å; R396-Q399 WeakPolarHBondContact O-CB 3.33Å; R396-Q399 PolarHBondContact O-N 3.24Å; A397-Q399 PolarHBondContact O-N 3.42Å; Q399-F401 PolarHBondContact O-N 3.3Å; Q399-A402 PolarHBondContact O-N 3.2Å; Q399-W403 HydrophobicContact CB-CD2 4.08Å; Q399-W403 HydrophobicContact CB-CE3 4.5Å; Q399-W403 HydrophobicContact CB-CH2 4.33Å; Q399-W403 HydrophobicContact CB-CZ2 3.86Å; Q399-W403 HydrophobicContact CG-CZ2 4.12Å; Q399-W403 WeakPolarHBondContact O-CB 3.31Å; Q399-W403 PolarHBondContact O-N 3.4Å; Q399-G421 PolarHBondContact NE2-O 3.23Å; Q399-W424 VanDerWaalsContact NE2-CB 3.31Å
400R93.6Very high89.6Confident14 Ų1438 Ų385%0.05318%0.181CC..Hα-helixtrans-55.7-36.7177.3-62.4-178.6179.3-142.5-15.8112.7P367 C368 A395 R396 A397 V398 P404P367-R400 CarbonylContact C-O 3.58Å; P367-R400 VanDerWaalsContact CA-O 3.22Å; P367-R400 WeakPolarHBondContact CA-O 3.34Å; P367-R400 HydrophobicContact CB-CB 4.2Å; C368-R400 PolarHBondContact N-O 3.1Å; C368-R400 WeakPolarHBondContact O-CA 3.49Å; C368-R400 WeakPolarHBondContact O-CB 3.47Å; C368-R400 WeakPolarHBondContact O-CG 3.34Å; C368-R400 PolarHBondContact SG-O 3.12Å; C368-R400 VanDerWaalsContact SG-O 3.41Å; A395-R400 HydrophobicContact CB-CG 3.87Å; A395-R400 PolarHBondContact O-NE 3.33Å; A395-R400 PolarHBondContact O-NH2 3.27Å; R396-R400 WeakPolarHBondContact O-CG 3.35Å; R396-R400 PolarHBondContact O-N 2.97Å; R396-R400 VanDerWaalsContact O-N 3.14Å; A397-R400 WeakPolarHBondContact O-CB 3.43Å; A397-R400 PolarHBondContact O-N 3.16Å; V398-R400 VanDerWaalsContact C-N 3.26Å; V398-R400 PolarHBondContact O-N 3.33Å; R400-P404 WeakPolarHBondContact O-CD 3.48Å; R400-P404 WeakPolarHBondContact O-CG 3.38Å
401F94.7Very high90Very high1 Ų137.4 Ų37.40%0.00418%0.178CC..Hα-helixtrans-94.1-36.8178.3-60.9-86.1000112Y352 N354 Y355 V357 V365 P367 A397 V398 Q399 P404 H405 L594 L596Y352-F401 HydrophobicContact CD1-CE1 4.4Å; Y352-F401 HydrophobicContact CG-CE1 4.18Å; N354-F401 HydrophobicContact CB-CZ 4.14Å; Y355-F401 AromaticContact CD2-CE2 3.97Å; Y355-F401 HydrophobicContact CD2-CE2 3.97Å; Y355-F401 AromaticContact CD2-CZ 4Å; Y355-F401 HydrophobicContact CD2-CZ 4Å; Y355-F401 HydrophobicContact CE2-CZ 4.43Å; V357-F401 HydrophobicContact CB-CE2 4.31Å; V357-F401 HydrophobicContact CG1-CD2 4.36Å; V357-F401 HydrophobicContact CG1-CE2 4.4Å; V365-F401 HydrophobicContact CG1-CB 4.31Å; V365-F401 HydrophobicContact CG1-CD1 4.27Å; P367-F401 HydrophobicContact CB-CD1 3.86Å; P367-F401 HydrophobicContact CB-CE1 3.73Å; P367-F401 HydrophobicContact CB-CG 4.37Å; P367-F401 HydrophobicContact CB-CZ 4.13Å; P367-F401 HydrophobicContact CG-CD1 4.45Å; P367-F401 HydrophobicContact CG-CE1 3.94Å; P367-F401 HydrophobicContact CG-CZ 4.41Å; A397-F401 WeakPolarHBondContact O-CD2 3.38Å; V398-F401 PolarHBondContact O-N 2.59Å; Q399-F401 PolarHBondContact O-N 3.3Å; F401-P404 WeakPolarHBondContact O-CD 3.47Å; F401-P404 WeakPolarHBondContact O-CG 3.24Å; F401-H405 WeakPolarHBondContact O-CB 3.22Å; F401-L594 HydrophobicContact CB-CD2 4.12Å; F401-L594 WeakPolarHBondContact O-CD2 3.31Å; F401-L596 HydrophobicContact CB-CD1 4.09Å; F401-L596 HydrophobicContact CB-CD2 3.81Å; F401-L596 HydrophobicContact CD2-CD2 4.46Å; F401-L596 HydrophobicContact CG-CD2 4.25Å
402A95.3Very high90.7Very high0 Ų036.4 Ų36.40%017%0.17CC..Hα-helixtrans-68.8-46.9-17500000112.8V398 Q399 H405 V406 V412 L596V398-A402 WeakPolarHBondContact O-CB 3.38Å; V398-A402 PolarHBondContact O-N 3.02Å; Q399-A402 PolarHBondContact O-N 3.2Å; A402-H405 PolarHBondContact O-N 2.89Å; A402-H405 VanDerWaalsContact O-N 3.14Å; A402-V406 VanDerWaalsContact O-CB 3.31Å; A402-V406 WeakPolarHBondContact O-CB 3.32Å; A402-V406 WeakPolarHBondContact O-CG2 3.42Å; A402-V406 PolarHBondContact O-N 3.2Å; A402-V412 HydrophobicContact CB-CG2 4.42Å; A402-L596 HydrophobicContact CB-CD1 3.9Å
403W94.8Very high91.8Very high0 Ų026.8 Ų26.80%013%0.133CC..Hα-helixtrans-55.1-53.8-178.3-67.9-20.2000113.6L371 A374 I377 M385 A391 A395 Q399 H405 S407 W424L371-W403 HydrophobicContact CD2-CE3 4.2Å; L371-W403 HydrophobicContact CD2-CH2 3.42Å; L371-W403 VanDerWaalsContact CD2-CH2 3.42Å; L371-W403 HydrophobicContact CD2-CZ2 4.09Å; L371-W403 HydrophobicContact CD2-CZ3 3.48Å; L371-W403 VanDerWaalsContact CD2-CZ3 3.48Å; L371-W403 HydrophobicContact CG-CH2 3.94Å; L371-W403 HydrophobicContact CG-CZ3 3.93Å; A374-W403 HydrophobicContact CB-CB 4.19Å; A374-W403 HydrophobicContact CB-CE3 3.9Å; I377-W403 HydrophobicContact CD1-CB 4.16Å; I377-W403 HydrophobicContact CD1-CD2 4.25Å; I377-W403 HydrophobicContact CD1-CG 4.02Å; M385-W403 HydrophobicContact CE-CH2 4.07Å; M385-W403 HydrophobicContact CE-CZ2 3.59Å; A391-W403 HydrophobicContact CB-CH2 3.76Å; A391-W403 HydrophobicContact CB-CZ3 4.48Å; A395-W403 HydrophobicContact CB-CE3 4.1Å; A395-W403 HydrophobicContact CB-CH2 3.9Å; A395-W403 HydrophobicContact CB-CZ3 3.45Å; A395-W403 VanDerWaalsContact CB-CZ3 3.45Å; Q399-W403 HydrophobicContact CB-CD2 4.08Å; Q399-W403 HydrophobicContact CB-CE3 4.5Å; Q399-W403 HydrophobicContact CB-CH2 4.33Å; Q399-W403 HydrophobicContact CB-CZ2 3.86Å; Q399-W403 HydrophobicContact CG-CZ2 4.12Å; Q399-W403 WeakPolarHBondContact O-CB 3.31Å; Q399-W403 PolarHBondContact O-N 3.4Å; W403-H405 PolarHBondContact O-N 3.22Å; W403-S407 VanDerWaalsContact O-CB 3.23Å; W403-S407 WeakPolarHBondContact O-CB 3.48Å; W403-S407 PolarHBondContact O-N 2.99Å; W403-S407 PolarHBondContact O-OG 3.31Å; W403-S407 VanDerWaalsContact O-OG 3.04Å; W403-W424 PolarHBondContact NE1-O 3.25Å
404P92.9Very high92.8Very high13 Ų1321.7 Ų21.78%0.08410%0.098CC..Hα-helixtrans-64.9-22.9179.423.9-33.8000114.1V365 V366 P375 R400 F401 L408V365-P404 HydrophobicContact CG1-CG 4.33Å; V366-P404 WeakPolarHBondContact O-CG 3.24Å; P375-P404 HydrophobicContact CG-CB 3.68Å; R400-P404 WeakPolarHBondContact O-CD 3.48Å; R400-P404 WeakPolarHBondContact O-CG 3.38Å; F401-P404 WeakPolarHBondContact O-CD 3.47Å; F401-P404 WeakPolarHBondContact O-CG 3.24Å; P404-L408 WeakPolarHBondContact O-CG 3.27Å
405H93.1Very high93.3Very high4 Ų414.6 Ų14.62%0.0197%0.071CC..Hα-helixtrans-85.9-45.9179.3-173.284.9000112.1V365 F401 A402 W403 S407 L408 K410 S411 D592 L594V365-H405 HydrophobicContact CG1-CB 4.47Å; V365-H405 HydrophobicContact CG2-CB 4.43Å; F401-H405 WeakPolarHBondContact O-CB 3.22Å; A402-H405 PolarHBondContact O-N 2.89Å; A402-H405 VanDerWaalsContact O-N 3.14Å; W403-H405 PolarHBondContact O-N 3.22Å; H405-S407 VanDerWaalsContact C-N 3.34Å; H405-L408 PolarHBondContact O-N 3.4Å; H405-K410 WeakPolarHBondContact NE2-CB 3.28Å; H405-S411 PolarHBondContact CD2-O 2.68Å; H405-S411 PolarHBondContact NE2-O 3.4Å; H405-D592 PolarHBondContact CE1-O 2.7Å; H405-D592 PolarHBondContact NE2-O 3.13Å; H405-L594 HydrophobicContact CB-CD2 3.66Å; H405-L594 WeakPolarHBondContact CD2-CB 3.49Å; H405-L594 VanDerWaalsContact NE2-CB 3.34Å; H405-L594 WeakPolarHBondContact NE2-CB 3.17Å; H405-L594 PolarHBondContact NE2-N 3.3Å
406V93.4Very high93.3Very high0 Ų014.5 Ų14.50%07%0.071CC..Hα-helixtrans-68-36.2-179.4174.20000110.8A402 L408 G409 V412 T429 Q569 L571A402-V406 VanDerWaalsContact O-CB 3.31Å; A402-V406 WeakPolarHBondContact O-CB 3.32Å; A402-V406 WeakPolarHBondContact O-CG2 3.42Å; A402-V406 PolarHBondContact O-N 3.2Å; V406-L408 PolarHBondContact O-N 3.27Å; V406-G409 PolarHBondContact O-N 2.79Å; V406-V412 HydrophobicContact CG2-CB 3.8Å; V406-V412 HydrophobicContact CG2-CG1 3.55Å; V406-V412 HydrophobicContact CG2-CG2 4.42Å; V406-T429 HydrophobicContact CG1-CG2 3.97Å; V406-Q569 PolarHBondContact O-NE2 3.4Å; V406-L571 HydrophobicContact CG1-CD2 4.02Å; V406-L571 HydrophobicContact CG2-CD2 4.21Å
407S90.1Very high93.1Very high2 Ų211.5 Ų11.51%0.0146%0.064CC..THydrogen-bonded Turntrans-67.4-12.7177.973.50000114.3P375 W403 H405 R433P375-S407 WeakPolarHBondContact O-CB 3.47Å; P375-S407 PolarHBondContact O-OG 2.92Å; W403-S407 VanDerWaalsContact O-CB 3.23Å; W403-S407 WeakPolarHBondContact O-CB 3.48Å; W403-S407 PolarHBondContact O-N 2.99Å; W403-S407 PolarHBondContact O-OG 3.31Å; W403-S407 VanDerWaalsContact O-OG 3.04Å; H405-S407 VanDerWaalsContact C-N 3.34Å; S407-R433 VanDerWaalsContact C-NH2 3.28Å; S407-R433 PolarHBondContact O-NH2 3.34Å
408L88.9Confident92.6Very high85 Ų8514.9 Ų14.945%0.4458%0.078SC..THydrogen-bonded Turntrans-922.8169-63.1175.1000113.3P404 H405 V406 K410 R433P404-L408 WeakPolarHBondContact O-CG 3.27Å; H405-L408 PolarHBondContact O-N 3.4Å; V406-L408 PolarHBondContact O-N 3.27Å; L408-K410 HydrophobicContact CB-CG 4.44Å; L408-R433 VanDerWaalsContact C-NH2 3.33Å
409G89.1Confident92Very high5 Ų523.2 Ų23.25%0.05212%0.117CC..THydrogen-bonded Turntrans78.921.917900000115.1V406V406-G409 PolarHBondContact O-N 2.79Å
410K92Very high91.5Very high25 Ų2524.1 Ų24.111%0.10912%0.122CC..  trans-96.9142.9178.2-60.1-177.1178.7-173.90111.4H363 H405 L408 Q565 Q569H363-K410 PolarHBondContact CD2-NZ 3.16Å; H405-K410 WeakPolarHBondContact NE2-CB 3.28Å; L408-K410 HydrophobicContact CB-CG 4.44Å; K410-Q565 VanDerWaalsContact CE-NE2 3.34Å; K410-Q565 HydrophobicContact CG-CG 4.27Å; K410-Q569 PolarHBondContact O-NE2 2.82Å
411S94.8Very high91.3Very high4 Ų423.7 Ų23.73%0.02812%0.122CC..  trans-64.7148.9-177.6-60.10000112.1H405 L570 V593 L594H405-S411 PolarHBondContact CD2-O 2.68Å; H405-S411 PolarHBondContact NE2-O 3.4Å; S411-L570 WeakPolarHBondContact CA-O 3.41Å; S411-L570 WeakPolarHBondContact CB-O 3.23Å; S411-L570 PolarHBondContact OG-N 3Å; S411-L570 VanDerWaalsContact OG-N 3.12Å; S411-L570 PolarHBondContact OG-O 2.97Å; S411-V593 WeakPolarHBondContact O-CA 3.49Å; S411-L594 PolarHBondContact O-N 3.47Å
412V96Very high91.2Very high0 Ų024.1 Ų24.10%012%0.124CC..EExtended strand (participates in β ladder)trans-137.3140.8179.274.60000110.8A402 V406 V414 Y426 L570 L571 V572 M590 L594 L596A402-V412 HydrophobicContact CB-CG2 4.42Å; V406-V412 HydrophobicContact CG2-CB 3.8Å; V406-V412 HydrophobicContact CG2-CG1 3.55Å; V406-V412 HydrophobicContact CG2-CG2 4.42Å; V412-V414 HydrophobicContact CG1-CG2 4.42Å; V412-V414 HydrophobicContact CG2-CG2 3.86Å; V412-Y426 HydrophobicContact CG1-CD1 4.14Å; V412-L570 PolarHBondContact N-O 3.35Å; V412-L571 HydrophobicContact CG1-CD2 3.74Å; V412-V572 PolarHBondContact O-N 2.64Å; V412-M590 VanDerWaalsContact O-CE 3.3Å; V412-M590 WeakPolarHBondContact O-CE 3.29Å; V412-L594 CarbonylContact C-O 3.52Å; V412-L594 WeakPolarHBondContact CA-O 3.48Å; V412-L594 HydrophobicContact CG2-CB 4.23Å; V412-L594 HydrophobicContact CG2-CD2 4.29Å; V412-L594 HydrophobicContact CG2-CG 4.3Å; V412-L594 WeakPolarHBondContact CG2-O 3.34Å; V412-L596 HydrophobicContact CG2-CD1 4.34Å
413L96.7Very high91.2Very high0 Ų025 Ų250%013%0.13CC..EExtended strand (participates in β ladder)trans-121.6114.9171.8172.759.5000108.9V415 V572 W577 M582 L587 M590 V593 L594 V595 L596L413-V415 HydrophobicContact CD1-CG2 4.26Å; L413-V415 HydrophobicContact CG-CG2 4.32Å; L413-V572 CarbonylContact C-O 3.57Å; L413-V572 VanDerWaalsContact CA-O 3.31Å; L413-V572 WeakPolarHBondContact CA-O 3.39Å; L413-V572 HydrophobicContact CD1-CB 3.65Å; L413-V572 HydrophobicContact CD1-CG1 3.52Å; L413-W577 HydrophobicContact CD2-CH2 4.16Å; L413-W577 HydrophobicContact CD2-CZ3 3.62Å; L413-M582 HydrophobicContact CD1-SD 4.08Å; L413-M582 HydrophobicContact CD2-SD 4.03Å; L413-L587 HydrophobicContact CD2-CD2 4.18Å; L413-M590 HydrophobicContact CB-CE 4.32Å; L413-V593 HydrophobicContact CB-CG2 4.03Å; L413-L594 PolarHBondContact N-O 2.97Å; L413-V595 HydrophobicContact CB-CG2 4.48Å; L413-V595 HydrophobicContact CD2-CG1 4.31Å; L413-V595 HydrophobicContact CD2-CG2 4.49Å; L413-V595 HydrophobicContact CG-CG1 4.43Å; L413-V595 CarbonylContact O-C 3.29Å; L413-V595 WeakPolarHBondContact O-CA 3.49Å; L413-L596 PolarHBondContact O-N 2.99Å
414V96.9Very high91.2Very high0 Ų026.2 Ų26.20%013%0.134CC..EExtended strand (participates in β ladder)trans-113.1120.3-178.3-170.20000110.5V398 V412 K422 V572 S573 G574 L596V398-V414 HydrophobicContact CB-CG1 4.11Å; V398-V414 HydrophobicContact CG1-CG1 4.15Å; V398-V414 HydrophobicContact CG2-CG1 4.25Å; V412-V414 HydrophobicContact CG1-CG2 4.42Å; V412-V414 HydrophobicContact CG2-CG2 3.86Å; V414-K422 HydrophobicContact CG1-CB 4.38Å; V414-K422 HydrophobicContact CG1-CD 4.26Å; V414-K422 HydrophobicContact CG1-CG 3.9Å; V414-V572 PolarHBondContact N-O 3.36Å; V414-S573 CarbonylContact O-C 3.59Å; V414-S573 WeakPolarHBondContact O-CA 3.37Å; V414-G574 PolarHBondContact O-N 2.89Å; V414-L596 HydrophobicContact CG1-CB 4.4Å; V414-L596 HydrophobicContact CG2-CD1 4.29Å
415V95.6Very high91.3Very high0 Ų025.6 Ų25.60%013%0.13CC..EExtended strand (participates in β ladder)trans-117.3131179.6-178.50000110.7L413 G574 W577 L596 F597 D598 E602L413-V415 HydrophobicContact CD1-CG2 4.26Å; L413-V415 HydrophobicContact CG-CG2 4.32Å; V415-G574 WeakPolarHBondContact CA-O 3.44Å; V415-W577 HydrophobicContact CG2-CE3 4.05Å; V415-L596 PolarHBondContact N-O 2.89Å; V415-F597 HydrophobicContact CB-CD1 3.85Å; V415-F597 HydrophobicContact CB-CE1 4.01Å; V415-F597 HydrophobicContact CG1-CD1 4.08Å; V415-F597 HydrophobicContact CG1-CE1 4.2Å; V415-F597 HydrophobicContact CG2-CE1 4.33Å; V415-F597 WeakPolarHBondContact O-CA 3.41Å; V415-D598 PolarHBondContact O-N 3.49Å; V415-D598 VanDerWaalsContact O-N 3.08Å; V415-E602 HydrophobicContact CG1-CB 4.28Å
416G91.9Very high91.4Very high0 Ų025.4 Ų25.40%013%0.129CC..  trans160.9-175.8171.300000113.4K422 G574 R575G416-K422 PolarHBondContact O-NZ 2.78Å; G416-G574 PolarHBondContact N-O 2.97Å; G416-G574 VanDerWaalsContact N-O 3.09Å; G416-R575 WeakPolarHBondContact O-CA 3.48Å
417N86.6Confident91.5Very high64 Ų6425.4 Ų25.434%0.34213%0.129SC..  trans-59.6169.9-170.2-66.5-60.2000114.4I420 K422 D599 K720N417-I420 HydrophobicContact CB-CG2 4.18Å; N417-I420 WeakPolarHBondContact O-CG1 3.37Å; N417-K422 PolarHBondContact O-NZ 2.93Å; N417-D599 PolarHBondContact ND2-OD2 3.03Å; N417-D599 PolarHBondContact OD1-OD2 3.29Å; N417-K720 VanDerWaalsContact CG-NZ 3.3Å; N417-K720 PolarHBondContact ND2-NZ 3.04Å; N417-K720 PolarHBondContact OD1-NZ 3.33Å
418L81.2Confident91.7Very high92 Ų9225.3 Ų25.348%0.48213%0.129SC..THydrogen-bonded Turntrans-57150.1169.8-83179.5000111.2I420 R575L418-I420 PolarHBondContact O-N 2.85Å; L418-I420 VanDerWaalsContact O-N 3.09Å; L418-R575 VanDerWaalsContact CG-CZ 3.45Å; L418-R575 VanDerWaalsContact CG-NH1 3.31Å
419Q80.8Confident91.9Very high175 Ų17521.6 Ų21.682%0.81811%0.11SC*.THydrogen-bonded Turntrans60.319.8171.6-56.5176.2-11.400115.8R396 G421R396-Q419 PolarHBondContact NH1-O 2.83Å; Q419-G421 PolarHBondContact O-N 3.01Å
420I83.8Confident92.2Very high22 Ų2221.6 Ų21.611%0.11311%0.108CC..SBendtrans-78.9-5.917168.9170.3000112.8R396 V398 N417 L418 K422 D598R396-I420 VanDerWaalsContact CD-O 3.22Å; R396-I420 WeakPolarHBondContact CD-O 3.45Å; R396-I420 VanDerWaalsContact NH1-C 3.33Å; V398-I420 HydrophobicContact CG1-CD1 4.39Å; V398-I420 HydrophobicContact CG2-CD1 4.46Å; N417-I420 HydrophobicContact CB-CG2 4.18Å; N417-I420 WeakPolarHBondContact O-CG1 3.37Å; L418-I420 PolarHBondContact O-N 2.85Å; L418-I420 VanDerWaalsContact O-N 3.09Å; I420-K422 HydrophobicContact CD1-CD 4.06Å; I420-K422 HydrophobicContact CD1-CG 3.6Å; I420-K422 HydrophobicContact CG1-CD 4.22Å; I420-K422 HydrophobicContact CG1-CG 3.41Å; I420-K422 VanDerWaalsContact CG1-CG 3.41Å; I420-D598 HydrophobicContact CD1-CB 3.47Å; I420-D598 VanDerWaalsContact CD1-CB 3.47Å; I420-D598 VanDerWaalsContact CG2-OD2 3.25Å; I420-D598 WeakPolarHBondContact CG2-OD2 3.37Å
421G88.5Confident92.3Very high6 Ų620.4 Ų20.46%0.06210%0.103CC..SBendtrans8832.2-179.200000114Q399 Q419 W424 S425Q399-G421 PolarHBondContact NE2-O 3.23Å; Q419-G421 PolarHBondContact O-N 3.01Å; G421-W424 PolarHBondContact O-N 2.99Å; G421-S425 PolarHBondContact O-N 2.9Å; G421-S425 VanDerWaalsContact O-N 3.14Å; G421-S425 PolarHBondContact O-OG 3.01Å
422K93.9Very high92.3Very high10 Ų1021 Ų214%0.04311%0.105CC..SBendtrans-57.1-55.9178.3-61.3-166.3-69.3-84.70112.5V414 G416 N417 I420 W424 S425 Y426 G574V414-K422 HydrophobicContact CG1-CB 4.38Å; V414-K422 HydrophobicContact CG1-CD 4.26Å; V414-K422 HydrophobicContact CG1-CG 3.9Å; G416-K422 PolarHBondContact O-NZ 2.78Å; N417-K422 PolarHBondContact O-NZ 2.93Å; I420-K422 HydrophobicContact CD1-CD 4.06Å; I420-K422 HydrophobicContact CD1-CG 3.6Å; I420-K422 HydrophobicContact CG1-CD 4.22Å; I420-K422 HydrophobicContact CG1-CG 3.41Å; I420-K422 VanDerWaalsContact CG1-CG 3.41Å; K422-W424 VanDerWaalsContact C-N 3.27Å; K422-W424 PolarHBondContact O-N 3.46Å; K422-S425 WeakPolarHBondContact O-CA 3.1Å; K422-S425 WeakPolarHBondContact O-CB 3.36Å; K422-S425 PolarHBondContact O-N 3.35Å; K422-S425 PolarHBondContact O-OG 3.02Å; K422-Y426 WeakPolarHBondContact O-CE1 3.37Å; K422-G574 WeakPolarHBondContact CD-O 3.38Å; K422-G574 WeakPolarHBondContact CE-O 3.37Å
423T95Very high92Very high18 Ų1824.6 Ų24.611%0.1112%0.119CC..G310 helixtrans-55.5-44.4177.7-43.80000111.4S425 Y426 L427 F452 I463 W466 D537T423-S425 PolarHBondContact O-N 3.32Å; T423-S425 VanDerWaalsContact O-N 3.11Å; T423-Y426 PolarHBondContact O-N 3.46Å; T423-L427 HydrophobicContact CG2-CB 4.36Å; T423-L427 HydrophobicContact CG2-CD2 4.32Å; T423-L427 WeakPolarHBondContact O-CB 3.23Å; T423-L427 PolarHBondContact O-N 2.78Å; T423-F452 HydrophobicContact CG2-CZ 4.12Å; T423-I463 HydrophobicContact CG2-CD1 4.32Å; T423-I463 HydrophobicContact CG2-CG1 4.29Å; T423-W466 HydrophobicContact CG2-CE3 4.47Å; T423-W466 HydrophobicContact CG2-CZ3 4.21Å; T423-D537 WeakPolarHBondContact CG2-OD2 3.46Å; T423-D537 PolarHBondContact OG1-OD1 2.98Å; T423-D537 PolarHBondContact OG1-OD2 2.99Å
424W94.6Very high91.9Very high26 Ų2624.8 Ų24.810%0.09812%0.12CC..G310 helixtrans-65.3-10.6175.7-76.1104.9000115.1M385 M388 V390 Q399 W403 G421 K422 Y426 L427 P428 W466 L470M385-W424 HydrophobicContact CE-CE3 4.22Å; M385-W424 HydrophobicContact CG-CZ3 4.15Å; M388-W424 HydrophobicContact CE-CH2 3.47Å; M388-W424 VanDerWaalsContact CE-CH2 3.47Å; M388-W424 HydrophobicContact CE-CZ2 4.43Å; M388-W424 HydrophobicContact CE-CZ3 4.15Å; M388-W424 HydrophobicContact SD-CH2 3.75Å; M388-W424 HydrophobicContact SD-CZ2 4.18Å; V390-W424 HydrophobicContact CG1-CD2 4.23Å; V390-W424 HydrophobicContact CG1-CE3 4.11Å; V390-W424 HydrophobicContact CG2-CD2 3.87Å; V390-W424 HydrophobicContact CG2-CE3 4Å; V390-W424 HydrophobicContact CG2-CH2 3.93Å; V390-W424 HydrophobicContact CG2-CZ2 3.76Å; V390-W424 HydrophobicContact CG2-CZ3 4.03Å; Q399-W424 VanDerWaalsContact NE2-CB 3.31Å; W403-W424 PolarHBondContact NE1-O 3.25Å; G421-W424 PolarHBondContact O-N 2.99Å; K422-W424 VanDerWaalsContact C-N 3.27Å; K422-W424 PolarHBondContact O-N 3.46Å; W424-Y426 PolarHBondContact O-N 2.96Å; W424-L427 HydrophobicContact CH2-CD2 4.37Å; W424-L427 HydrophobicContact CZ3-CD2 4.41Å; W424-P428 HydrophobicContact CE3-CG 3.9Å; W424-P428 HydrophobicContact CZ3-CG 4.17Å; W424-P428 WeakPolarHBondContact O-CD 3.34Å; W424-W466 HydrophobicContact CH2-CB 4.23Å; W424-W466 HydrophobicContact CH2-CG 4.36Å; W424-W466 HydrophobicContact CZ2-CB 4.05Å; W424-W466 AromaticContact CZ2-CD1 3.93Å; W424-W466 AromaticContact CZ2-CD2 3.95Å; W424-W466 HydrophobicContact CZ2-CD2 3.95Å; W424-W466 AromaticContact CZ2-CG 3.72Å; W424-W466 HydrophobicContact CZ2-CG 3.72Å; W424-L470 HydrophobicContact CH2-CD1 4.24Å; W424-L470 HydrophobicContact CZ3-CD1 4Å; W424-L470 HydrophobicContact CZ3-CD2 4.24Å
425S95Very high91.7Very high0 Ų025.6 Ų25.60%012%0.124CC..G310 helixtrans-72.2-18.1176-58.20000112.5G421 K422 T423G421-S425 PolarHBondContact O-N 2.9Å; G421-S425 VanDerWaalsContact O-N 3.14Å; G421-S425 PolarHBondContact O-OG 3.01Å; K422-S425 WeakPolarHBondContact O-CA 3.1Å; K422-S425 WeakPolarHBondContact O-CB 3.36Å; K422-S425 PolarHBondContact O-N 3.35Å; K422-S425 PolarHBondContact O-OG 3.02Å; T423-S425 PolarHBondContact O-N 3.32Å; T423-S425 VanDerWaalsContact O-N 3.11Å
426Y95.4Very high91.5Very high0 Ų028.7 Ų28.70%014%0.138CC..THydrogen-bonded Turntrans-139.7-21.617951-102.7000114.6V412 K422 T423 W424 P428 T429 V430 F452 A535 D537 L571V412-Y426 HydrophobicContact CG1-CD1 4.14Å; K422-Y426 WeakPolarHBondContact O-CE1 3.37Å; T423-Y426 PolarHBondContact O-N 3.46Å; W424-Y426 PolarHBondContact O-N 2.96Å; Y426-P428 VanDerWaalsContact C-CD 3.42Å; Y426-T429 PolarHBondContact O-N 3.37Å; Y426-T429 VanDerWaalsContact O-N 3.11Å; Y426-V430 HydrophobicContact CD2-CG2 4.25Å; Y426-V430 WeakPolarHBondContact O-CG2 3.42Å; Y426-V430 PolarHBondContact O-N 3.4Å; Y426-F452 HydrophobicContact CD2-CE2 4.43Å; Y426-F452 AromaticContact CE2-CE2 3.83Å; Y426-F452 HydrophobicContact CE2-CE2 3.83Å; Y426-F452 AromaticContact CE2-CZ 3.88Å; Y426-F452 HydrophobicContact CE2-CZ 3.88Å; Y426-A535 HydrophobicContact CE2-CB 4.28Å; Y426-D537 WeakPolarHBondContact OH-CB 3.38Å; Y426-D537 VanDerWaalsContact OH-CG 3.22Å; Y426-D537 PolarHBondContact OH-OD1 2.87Å; Y426-L571 HydrophobicContact CD1-CB 4.34Å; Y426-L571 HydrophobicContact CD2-CB 4.34Å; Y426-L571 HydrophobicContact CD2-CD1 3.82Å; Y426-L571 HydrophobicContact CG-CB 4.2Å; Y426-L571 HydrophobicContact CG-CD1 3.88Å; Y426-L571 HydrophobicContact CG-CD2 4.5Å; Y426-L571 HydrophobicContact CG-CG 4.44Å
427L95.8Very high91.4Very high0 Ų030.8 Ų30.80%015%0.15CC..Hα-helixtrans-51.1-43.6-178.2-175.568.2000114.6T423 W424 T429 V430 C431 F452 I463 W466 M467 L470T423-L427 HydrophobicContact CG2-CB 4.36Å; T423-L427 HydrophobicContact CG2-CD2 4.32Å; T423-L427 WeakPolarHBondContact O-CB 3.23Å; T423-L427 PolarHBondContact O-N 2.78Å; W424-L427 HydrophobicContact CH2-CD2 4.37Å; W424-L427 HydrophobicContact CZ3-CD2 4.41Å; L427-T429 PolarHBondContact O-N 3Å; L427-V430 PolarHBondContact O-N 2.76Å; L427-C431 PolarHBondContact O-N 3.25Å; L427-C431 PolarHBondContact O-SG 3.41Å; L427-F452 HydrophobicContact CD1-CE2 4.02Å; L427-I463 HydrophobicContact CD1-CG2 4.31Å; L427-W466 HydrophobicContact CD2-CB 3.75Å; L427-W466 HydrophobicContact CD2-CE3 4.04Å; L427-M467 HydrophobicContact CD1-CE 3.59Å; L427-M467 HydrophobicContact CD1-CG 3.77Å; L427-L470 HydrophobicContact CD2-CD1 4.12Å; L427-L470 HydrophobicContact CG-CD1 3.91Å
428P94.4Very high91.6Very high0 Ų027.8 Ų27.80%013%0.133CC..Hα-helixtrans-59.8-45.7178.1-23.334.5000112.7I381 M385 W424 Y426 C431 Q432I381-P428 HydrophobicContact CG2-CB 3.72Å; M385-P428 HydrophobicContact CE-CB 4.2Å; M385-P428 HydrophobicContact CE-CG 3.45Å; M385-P428 VanDerWaalsContact CE-CG 3.45Å; M385-P428 HydrophobicContact CG-CG 4.35Å; M385-P428 HydrophobicContact SD-CB 3.61Å; M385-P428 HydrophobicContact SD-CG 3.53Å; M385-P428 VanDerWaalsContact SD-CG 3.53Å; W424-P428 HydrophobicContact CE3-CG 3.9Å; W424-P428 HydrophobicContact CZ3-CG 4.17Å; W424-P428 WeakPolarHBondContact O-CD 3.34Å; Y426-P428 VanDerWaalsContact C-CD 3.42Å; P428-C431 PolarHBondContact O-N 3.25Å; P428-Q432 WeakPolarHBondContact O-CB 3.29Å; P428-Q432 PolarHBondContact O-N 2.85Å
429T92.6Very high92Very high7 Ų726.5 Ų26.54%0.04313%0.125CC..Hα-helixtrans-67.4-38.9178.8-53.30000111.5V406 Y426 L427 R433V406-T429 HydrophobicContact CG1-CG2 3.97Å; Y426-T429 PolarHBondContact O-N 3.37Å; Y426-T429 VanDerWaalsContact O-N 3.11Å; L427-T429 PolarHBondContact O-N 3Å; T429-R433 HydrophobicContact CG2-CG 4.19Å; T429-R433 WeakPolarHBondContact O-CB 3.41Å; T429-R433 WeakPolarHBondContact O-CG 3.46Å; T429-R433 PolarHBondContact O-N 3.47Å
430V94.7Very high92.4Very high4 Ų425.9 Ų25.92%0.02412%0.115CC..Hα-helixtrans-59.2-49.6174.7168.40000110.7Y426 L427 S434 C450 I505 L571Y426-V430 HydrophobicContact CD2-CG2 4.25Å; Y426-V430 WeakPolarHBondContact O-CG2 3.42Å; Y426-V430 PolarHBondContact O-N 3.4Å; L427-V430 PolarHBondContact O-N 2.76Å; V430-S434 WeakPolarHBondContact O-CB 3.44Å; V430-S434 PolarHBondContact O-N 3.14Å; V430-S434 PolarHBondContact O-OG 3.41Å; V430-C450 HydrophobicContact CG1-CB 4.34Å; V430-C450 VanDerWaalsContact CG1-SG 3.56Å; V430-I505 HydrophobicContact CG1-CD1 4.18Å; V430-L571 HydrophobicContact CG2-CD1 3.31Å
431C94.9Very high92.5Very high0 Ų026.3 Ų26.30%012%0.116CC..Hα-helixtrans-62.3-49.2-179.7-63.80000111.1L427 P428 H435 L470 L471L427-C431 PolarHBondContact O-N 3.25Å; L427-C431 PolarHBondContact O-SG 3.41Å; P428-C431 PolarHBondContact O-N 3.25Å; C431-H435 WeakPolarHBondContact O-CB 3.3Å; C431-H435 PolarHBondContact O-N 3.23Å; C431-L470 HydrophobicContact CB-CB 3.98Å; C431-L470 HydrophobicContact CB-CD1 4.19Å; C431-L470 VanDerWaalsContact SG-CD1 3.56Å; C431-L471 HydrophobicContact CB-CD2 3.97Å; C431-L471 HydrophobicContact CB-CG 4.14Å; C431-L471 WeakPolarHBondContact O-CD2 3.36Å
432Q93.2Very high92.2Very high16 Ų1630.2 Ų30.28%0.07514%0.14CC..Hα-helixtrans-59.3-52.3-179.1-167.6-179.1-63.100112.2D376 S378 I381 P428 H435 E436D376-Q432 PolarHBondContact O-NE2 3.22Å; S378-Q432 PolarHBondContact OG-OE1 2.94Å; I381-Q432 HydrophobicContact CG1-CB 4.06Å; I381-Q432 HydrophobicContact CG1-CG 4.24Å; P428-Q432 WeakPolarHBondContact O-CB 3.29Å; P428-Q432 PolarHBondContact O-N 2.85Å; Q432-H435 PolarHBondContact O-N 3Å; Q432-E436 WeakPolarHBondContact CG-OE1 3.31Å; Q432-E436 PolarHBondContact NE2-OE1 3.24Å; Q432-E436 WeakPolarHBondContact O-CB 3.31Å; Q432-E436 WeakPolarHBondContact O-CG 3.25Å; Q432-E436 PolarHBondContact O-N 3.36Å
433R91.6Very high91.6Very high77 Ų7736 Ų3629%0.29117%0.171SC..Hα-helixtrans-68.3-40.4-176.8-70.7179.7169.4-147.6-14.3112.4S407 L408 T429 H435 E436 D437S407-R433 VanDerWaalsContact C-NH2 3.28Å; S407-R433 PolarHBondContact O-NH2 3.34Å; L408-R433 VanDerWaalsContact C-NH2 3.33Å; T429-R433 HydrophobicContact CG2-CG 4.19Å; T429-R433 WeakPolarHBondContact O-CB 3.41Å; T429-R433 WeakPolarHBondContact O-CG 3.46Å; T429-R433 PolarHBondContact O-N 3.47Å; R433-H435 VanDerWaalsContact C-N 3.25Å; R433-H435 PolarHBondContact O-N 3.39Å; R433-E436 PolarHBondContact O-N 2.93Å; R433-D437 VanDerWaalsContact O-CB 3.28Å; R433-D437 WeakPolarHBondContact O-CB 3.36Å; R433-D437 PolarHBondContact O-N 3.2Å
434S93.2Very high90.9Very high3 Ų341 Ų412%0.02120%0.202CC..Hα-helixtrans-60.8-40.9177.6-56.80000110.9V430 L438 C450V430-S434 WeakPolarHBondContact O-CB 3.44Å; V430-S434 PolarHBondContact O-N 3.14Å; V430-S434 PolarHBondContact O-OG 3.41Å; S434-L438 WeakPolarHBondContact O-CB 3.4Å; S434-L438 PolarHBondContact O-N 3.14Å; S434-C450 WeakPolarHBondContact OG-CB 3.49Å
435H92.7Very high90.4Very high17 Ų1740.7 Ų40.78%0.07921%0.206CC..Hα-helixtrans-66.9-51.3175.6-178.776.7000111.8C431 Q432 R433 D437 L438 Q439 L471 L474 G475 D482C431-H435 WeakPolarHBondContact O-CB 3.3Å; C431-H435 PolarHBondContact O-N 3.23Å; Q432-H435 PolarHBondContact O-N 3Å; R433-H435 VanDerWaalsContact C-N 3.25Å; R433-H435 PolarHBondContact O-N 3.39Å; H435-D437 VanDerWaalsContact C-N 3.31Å; H435-D437 PolarHBondContact O-N 2.82Å; H435-L438 WeakPolarHBondContact O-CB 3.44Å; H435-L438 PolarHBondContact O-N 2.77Å; H435-L438 VanDerWaalsContact O-N 3.14Å; H435-Q439 PolarHBondContact CE1-NE2 3Å; H435-Q439 WeakPolarHBondContact O-CG 3.28Å; H435-Q439 PolarHBondContact O-N 3.09Å; H435-L471 HydrophobicContact CB-CD2 3.88Å; H435-L474 HydrophobicContact CB-CD1 3.91Å; H435-G475 PolarHBondContact CE1-O 3.02Å; H435-D482 IonicContact CE1-OD1 3.81Å; H435-D482 IonicContact ND1-OD1 2.73Å; H435-D482 PolarHBondContact ND1-OD1 2.86Å
436E91.2Very high90.1Very high65 Ų6546.3 Ų46.330%0.30423%0.228SC..Hα-helixtrans-57.7-42178.9-75.8-179.1-151.800112.9Q432 R433 Q439 R440Q432-E436 WeakPolarHBondContact CG-OE1 3.31Å; Q432-E436 PolarHBondContact NE2-OE1 3.24Å; Q432-E436 WeakPolarHBondContact O-CB 3.31Å; Q432-E436 WeakPolarHBondContact O-CG 3.25Å; Q432-E436 PolarHBondContact O-N 3.36Å; R433-E436 PolarHBondContact O-N 2.93Å; E436-Q439 PolarHBondContact O-N 3.08Å; E436-R440 WeakPolarHBondContact O-CG 3.44Å; E436-R440 PolarHBondContact O-N 3.33Å; E436-R440 IonicContact OE2-CZ 3.21Å; E436-R440 IonicContact OE2-NH1 2.75Å; E436-R440 IonicContact OE2-NH2 3.61Å; E436-R440 PolarHBondContact OE2-NH2 3.42Å
437D90.8Very high90Very high45 Ų4546.3 Ų46.324%0.24123%0.228CC..Hα-helixtrans-72-35.1177.8-76.3-15.5000111.8R433 H435 Q439 R440 R441 T449R433-D437 VanDerWaalsContact O-CB 3.28Å; R433-D437 WeakPolarHBondContact O-CB 3.36Å; R433-D437 PolarHBondContact O-N 3.2Å; H435-D437 VanDerWaalsContact C-N 3.31Å; H435-D437 PolarHBondContact O-N 2.82Å; D437-Q439 VanDerWaalsContact C-N 3.32Å; D437-R440 PolarHBondContact O-N 2.64Å; D437-R440 VanDerWaalsContact O-N 3.15Å; D437-R440 IonicContact OD1-NH1 3.4Å; D437-R440 PolarHBondContact OD1-NH1 2.82Å; D437-R441 WeakPolarHBondContact O-CG 3.47Å; D437-R441 PolarHBondContact O-N 3.15Å; D437-T449 HydrophobicContact CB-CG2 3.59Å
438L91.4Very high90Very high0 Ų046.3 Ų46.30%023%0.228CC..Hα-helixtrans-60.5-42.3172.6-177.163.1000111.3S434 H435 R440 R441 F480 P502S434-L438 WeakPolarHBondContact O-CB 3.4Å; S434-L438 PolarHBondContact O-N 3.14Å; H435-L438 WeakPolarHBondContact O-CB 3.44Å; H435-L438 PolarHBondContact O-N 2.77Å; H435-L438 VanDerWaalsContact O-N 3.14Å; L438-R440 PolarHBondContact O-N 3.04Å; L438-R441 WeakPolarHBondContact O-CB 3.45Å; L438-R441 PolarHBondContact O-N 3.01Å; L438-R441 VanDerWaalsContact O-N 3.12Å; L438-F480 HydrophobicContact CD1-CB 3.95Å; L438-F480 HydrophobicContact CD1-CD2 3.96Å; L438-F480 HydrophobicContact CD1-CG 4.25Å; L438-F480 HydrophobicContact CD2-CB 4.01Å; L438-F480 HydrophobicContact CG-CB 4.2Å; L438-F480 HydrophobicContact CG-CD2 4.33Å; L438-P502 HydrophobicContact CD1-CB 3.79Å
439Q88.7Confident90Very high65 Ų6546.4 Ų46.430%0.30423%0.228SC..Hα-helixtrans-62.5-27175.9-64.8-50.5-43.200113H435 E436 D437 S478H435-Q439 PolarHBondContact CE1-NE2 3Å; H435-Q439 WeakPolarHBondContact O-CG 3.28Å; H435-Q439 PolarHBondContact O-N 3.09Å; E436-Q439 PolarHBondContact O-N 3.08Å; D437-Q439 VanDerWaalsContact C-N 3.32Å; Q439-S478 PolarHBondContact NE2-OG 2.73Å; Q439-S478 VanDerWaalsContact OE1-CB 3.28Å
440R88.6Confident90.2Very high162 Ų16246.1 Ų46.161%0.61123%0.226SC*.THydrogen-bonded Turntrans-89.3-5.2178.8-63.4173.3-163.31184.4113E436 D437 L438E436-R440 WeakPolarHBondContact O-CG 3.44Å; E436-R440 PolarHBondContact O-N 3.33Å; E436-R440 IonicContact OE2-CZ 3.21Å; E436-R440 IonicContact OE2-NH1 2.75Å; E436-R440 IonicContact OE2-NH2 3.61Å; E436-R440 PolarHBondContact OE2-NH2 3.42Å; D437-R440 PolarHBondContact O-N 2.64Å; D437-R440 VanDerWaalsContact O-N 3.15Å; D437-R440 IonicContact OD1-NH1 3.4Å; D437-R440 PolarHBondContact OD1-NH1 2.82Å; L438-R440 PolarHBondContact O-N 3.04Å
441R86.7Confident90.3Very high32 Ų3245.9 Ų45.912%0.12123%0.225CC..SBendtrans-78.6142-175.5-73.2-141.9-179.31653.3112D437 L438 G447 P448 T449 P502 A530D437-R441 WeakPolarHBondContact O-CG 3.47Å; D437-R441 PolarHBondContact O-N 3.15Å; L438-R441 WeakPolarHBondContact O-CB 3.45Å; L438-R441 PolarHBondContact O-N 3.01Å; L438-R441 VanDerWaalsContact O-N 3.12Å; R441-G447 PolarHBondContact NH1-O 2.85Å; R441-P448 PolarHBondContact NH2-O 2.91Å; R441-T449 PolarHBondContact NE-OG1 3.43Å; R441-T449 PolarHBondContact NH2-OG1 2.77Å; R441-P502 HydrophobicContact CB-CB 4.31Å; R441-A530 PolarHBondContact NH2-O 3.26Å
442P82.8Confident90.5Very high88 Ų8845.9 Ų45.957%0.57123%0.225SC*.  trans-71.5150170.731.3-34.1000110.6V444 G445 P502P442-V444 PolarHBondContact O-N 3.22Å; P442-G445 PolarHBondContact O-N 3.49Å; P442-P502 WeakPolarHBondContact O-CG 3.48Å
443D79.4Confident90.7Very high130 Ų13045.1 Ų45.170%0.69522%0.221SC*.THydrogen-bonded Turntrans-59-23.1178.9-61.4-12.3000113.9G445 F480D443-G445 VanDerWaalsContact C-N 3.32Å; D443-F480 HydrophobicContact CB-CZ 4.35Å; D443-F480 WeakPolarHBondContact OD1-CZ 3.3Å
444V81.5Confident90.9Very high125 Ų12541.5 Ų41.576%0.75821%0.208SC*.THydrogen-bonded Turntrans-82.8-10.4179.2-166.10000112.3P442P442-V444 PolarHBondContact O-N 3.22Å
445G83.6Confident90.7Very high19 Ų1941.8 Ų41.820%0.19621%0.21CC..  trans-63.9163177.600000112.7P442 D443 P502P442-G445 PolarHBondContact O-N 3.49Å; D443-G445 VanDerWaalsContact C-N 3.32Å; G445-P502 WeakPolarHBondContact O-CD 3.49Å; G445-P502 WeakPolarHBondContact O-CG 3.21Å
446R89.9Confident90.5Very high118 Ų11844.3 Ų44.345%0.44522%0.223SC..  trans-135.4135.9-176.6-53.6-171.8-172.1-170.72.5112.7K500 D527R446-K500 WeakPolarHBondContact CG-O 3.39Å; R446-D527 PolarHBondContact O-N 3.31Å
447G92.5Very high90.4Very high0 Ų045.4 Ų45.40%023%0.229CC..EExtended strand (participates in β ladder)trans73.8-164.4169.100000115.6R441 L499 K501 V503R441-G447 PolarHBondContact NH1-O 2.85Å; G447-L499 WeakPolarHBondContact CA-O 3.32Å; G447-L499 PolarHBondContact N-O 2.98Å; G447-K501 PolarHBondContact N-O 2.88Å; G447-V503 PolarHBondContact O-N 3.18Å
448P95.3Very high90.3Very high0 Ų045.7 Ų45.70%024%0.243CC..EExtended strand (participates in β ladder)trans-78.4154.9-163.330.4-31.1000112.7R441 C450 I451 V503 L506 V531R441-P448 PolarHBondContact NH2-O 2.91Å; P448-C450 WeakPolarHBondContact CB-O 3.43Å; P448-I451 HydrophobicContact CG-CD1 4.37Å; P448-I451 HydrophobicContact CG-CG1 3.82Å; P448-V503 CarbonylContact C-O 3.49Å; P448-V503 VanDerWaalsContact CA-O 3.23Å; P448-V503 WeakPolarHBondContact CA-O 3.46Å; P448-L506 HydrophobicContact CB-CB 3.82Å; P448-L506 HydrophobicContact CG-CB 3.97Å; P448-L506 HydrophobicContact CG-CD2 4.45Å; P448-V531 HydrophobicContact CG-CG2 4.31Å; P448-V531 WeakPolarHBondContact O-CG2 3.24Å
449T94.8Very high90.2Very high2 Ų247.7 Ų47.71%0.01225%0.252CS..EExtended strand (participates in β ladder)trans-83.4-35.5162.2-58.10000111.4D437 R441 V503 G504 V531 K532 C533D437-T449 HydrophobicContact CB-CG2 3.59Å; R441-T449 PolarHBondContact NE-OG1 3.43Å; R441-T449 PolarHBondContact NH2-OG1 2.77Å; T449-V503 PolarHBondContact N-O 3.25Å; T449-G504 CarbonylContact C-O 3.5Å; T449-G504 WeakPolarHBondContact CA-O 3.45Å; T449-G504 WeakPolarHBondContact CB-O 3.42Å; T449-G504 PolarHBondContact N-O 3.1Å; T449-V531 CarbonylContact O-C 3.21Å; T449-V531 WeakPolarHBondContact O-CA 3.41Å; T449-K532 HydrophobicContact CG2-CB 4.25Å; T449-K532 HydrophobicContact CG2-CG 4.11Å; T449-K532 PolarHBondContact O-N 3.41Å; T449-C533 PolarHBondContact O-N 2.97Å
450C96.7Very high90.4Very high0 Ų044.6 Ų44.60%024%0.237CC..EExtended strand (participates in β ladder)trans-128.4140176.6-179.40000111.2V430 S434 P448 G504 I505 L506 C533V430-C450 HydrophobicContact CG1-CB 4.34Å; V430-C450 VanDerWaalsContact CG1-SG 3.56Å; S434-C450 WeakPolarHBondContact OG-CB 3.49Å; P448-C450 WeakPolarHBondContact CB-O 3.43Å; C450-G504 PolarHBondContact N-O 2.94Å; C450-I505 HydrophobicContact CB-CG1 4.22Å; C450-I505 HydrophobicContact CB-CG2 4.42Å; C450-I505 CarbonylContact O-C 3.59Å; C450-I505 WeakPolarHBondContact O-CA 3.28Å; C450-L506 PolarHBondContact O-N 3.13Å; C450-C533 VanDerWaalsContact CA-O 3.29Å; C450-C533 WeakPolarHBondContact CA-O 3.46Å; C450-C533 HydrophobicContact CB-CB 4.21Å; C450-C533 PolarHBondContact SG-O 3.5Å
451I97.8Very high90.6Very high0 Ų041.4 Ų41.40%023%0.228CC..EExtended strand (participates in β ladder)trans-107.4123.8168.6-58.8174.3000107.9P448 V453 L513 F526 V531 C533 I534 A535 F561P448-I451 HydrophobicContact CG-CD1 4.37Å; P448-I451 HydrophobicContact CG-CG1 3.82Å; I451-V453 HydrophobicContact CG2-CG2 4.02Å; I451-L513 HydrophobicContact CG2-CD1 4.09Å; I451-L513 HydrophobicContact CG2-CD2 3.88Å; I451-F526 HydrophobicContact CD1-CE2 4.26Å; I451-F526 HydrophobicContact CD1-CZ 4.21Å; I451-V531 HydrophobicContact CD1-CG1 4.22Å; I451-V531 HydrophobicContact CD1-CG2 4.17Å; I451-V531 HydrophobicContact CG1-CG1 4.16Å; I451-V531 HydrophobicContact CG1-CG2 4.44Å; I451-C533 PolarHBondContact N-O 3.05Å; I451-I534 HydrophobicContact CB-CG1 4.4Å; I451-I534 CarbonylContact O-C 3.54Å; I451-I534 VanDerWaalsContact O-CA 3.3Å; I451-I534 WeakPolarHBondContact O-CA 3.47Å; I451-A535 PolarHBondContact O-N 3.2Å; I451-F561 HydrophobicContact CD1-CE1 4.31Å; I451-F561 HydrophobicContact CD1-CZ 3.81Å
452F98.4Very high90.9Very high0 Ų044.6 Ų44.60%024%0.244CC..EExtended strand (participates in β ladder)trans-116.6118178.7-156.6-66.2000108.9T423 Y426 L427 I463 M467 I505 L506 L507 T508 A535 D537T423-F452 HydrophobicContact CG2-CZ 4.12Å; Y426-F452 HydrophobicContact CD2-CE2 4.43Å; Y426-F452 AromaticContact CE2-CE2 3.83Å; Y426-F452 HydrophobicContact CE2-CE2 3.83Å; Y426-F452 AromaticContact CE2-CZ 3.88Å; Y426-F452 HydrophobicContact CE2-CZ 3.88Å; L427-F452 HydrophobicContact CD1-CE2 4.02Å; F452-I463 HydrophobicContact CD1-CG2 4.48Å; F452-I463 HydrophobicContact CE1-CD1 3.75Å; F452-I463 HydrophobicContact CE1-CG2 4.08Å; F452-I463 HydrophobicContact CZ-CD1 4.24Å; F452-I463 HydrophobicContact CZ-CG2 4.11Å; F452-M467 HydrophobicContact CB-CE 4.03Å; F452-M467 HydrophobicContact CD1-CE 4.34Å; F452-M467 HydrophobicContact CD2-CE 3.25Å; F452-M467 HydrophobicContact CE2-CE 3.7Å; F452-M467 HydrophobicContact CG-CE 3.61Å; F452-M467 HydrophobicContact CZ-CE 4.42Å; F452-I505 HydrophobicContact CB-CG2 4.09Å; F452-L506 PolarHBondContact N-O 3.33Å; F452-L507 HydrophobicContact CB-CD1 3.86Å; F452-L507 HydrophobicContact CD1-CD1 3.52Å; F452-L507 HydrophobicContact CE1-CD1 4.4Å; F452-L507 HydrophobicContact CG-CD1 3.96Å; F452-L507 WeakPolarHBondContact O-CA 3.18Å; F452-T508 PolarHBondContact O-N 3.39Å; F452-A535 HydrophobicContact CD1-CB 4.44Å; F452-A535 HydrophobicContact CD2-CB 3.54Å; F452-A535 HydrophobicContact CE2-CB 3.71Å; F452-A535 HydrophobicContact CG-CB 3.95Å; F452-A535 HydrophobicContact CZ-CB 4.22Å; F452-D537 HydrophobicContact CE1-CB 3.59Å; F452-D537 HydrophobicContact CZ-CB 3.93Å
453V98Very high91.5Very high0 Ų040.6 Ų40.60%022%0.218CC..EExtended strand (participates in β ladder)trans-111.7132.4-178.8-164.30000108.6I451 T508 V510 L513 A535 L536 D537 M542I451-V453 HydrophobicContact CG2-CG2 4.02Å; V453-T508 WeakPolarHBondContact CA-O 3.38Å; V453-V510 HydrophobicContact CG1-CG2 3.87Å; V453-L513 HydrophobicContact CG2-CD2 3.57Å; V453-A535 PolarHBondContact N-O 3.47Å; V453-L536 HydrophobicContact CB-CD2 3.92Å; V453-L536 HydrophobicContact CG2-CD2 3.88Å; V453-D537 PolarHBondContact O-N 2.85Å; V453-M542 HydrophobicContact CB-CE 3.98Å; V453-M542 HydrophobicContact CG1-CE 3.87Å; V453-M542 HydrophobicContact CG1-SD 4.34Å; V453-M542 WeakPolarHBondContact O-CE 3.42Å
454C95.2Very high92.3Very high0 Ų037 Ų370%020%0.197CC..  trans-132.4166.1172.171.10000111.4N456 G460 I463 W487 T508 M542C454-N456 PolarHBondContact O-N 2.87Å; C454-N456 PolarHBondContact SG-O 3.33Å; C454-N456 VanDerWaalsContact SG-O 3.38Å; C454-G460 WeakPolarHBondContact SG-CA 3.4Å; C454-G460 PolarHBondContact SG-N 3.32Å; C454-I463 HydrophobicContact CB-CD1 4.26Å; C454-W487 WeakPolarHBondContact SG-CH2 3.5Å; C454-T508 PolarHBondContact N-O 3.04Å; C454-M542 VanDerWaalsContact CA-CE 3.47Å
455P89.4Confident92.9Very high10 Ų1039.7 Ų39.77%0.06519%0.194CC..SBendtrans-69.6-30.6-170.6-18.932.4000114.7D537 N538 D541 M542P455-D537 WeakPolarHBondContact CD-O 3.17Å; P455-N538 HydrophobicContact CG-CB 3.82Å; P455-D541 HydrophobicContact CB-CB 3.83Å; P455-D541 HydrophobicContact CG-CB 3.59Å; P455-M542 HydrophobicContact CB-CG 4.24Å; P455-M542 HydrophobicContact CG-CG 4.08Å
456N87Confident93.4Very high69 Ų6941.8 Ų41.837%0.36920%0.196SC..SBendtrans-157.2164.1-177.160.765000112.5C454 G458 Q459 G460C454-N456 PolarHBondContact O-N 2.87Å; C454-N456 PolarHBondContact SG-O 3.33Å; C454-N456 VanDerWaalsContact SG-O 3.38Å; N456-G458 VanDerWaalsContact C-N 3.29Å; N456-G458 PolarHBondContact O-N 3.09Å; N456-G458 PolarHBondContact OD1-N 3Å; N456-G458 VanDerWaalsContact OD1-N 3.16Å; N456-Q459 PolarHBondContact O-N 3.34Å; N456-Q459 PolarHBondContact OD1-N 3.44Å; N456-G460 PolarHBondContact O-N 3.27Å
457Q89.7Confident93.7Very high88 Ų8836.1 Ų36.141%0.41117%0.174SC..Hα-helixtrans-59.4-34.9-179.3-176-177.34000113.3G460 K461 W487Q457-G460 PolarHBondContact O-N 3.1Å; Q457-K461 HydrophobicContact CG-CD 4.18Å; Q457-K461 HydrophobicContact CG-CG 4.23Å; Q457-K461 WeakPolarHBondContact O-CG 3.34Å; Q457-K461 PolarHBondContact O-N 2.66Å; Q457-W487 HydrophobicContact CB-CB 4.46Å; Q457-W487 HydrophobicContact CB-CD2 4.03Å; Q457-W487 HydrophobicContact CB-CE3 3.96Å; Q457-W487 HydrophobicContact CB-CG 4.26Å; Q457-W487 HydrophobicContact CG-CB 3.96Å; Q457-W487 HydrophobicContact CG-CD2 3.81Å; Q457-W487 HydrophobicContact CG-CE3 4.27Å; Q457-W487 HydrophobicContact CG-CG 3.65Å
458G88.9Confident93.6Very high52 Ų5239 Ų3954%0.53619%0.194SC..Hα-helixtrans-61.5-49.5179.400000112.2N456 G460 Q462N456-G458 VanDerWaalsContact C-N 3.29Å; N456-G458 PolarHBondContact O-N 3.09Å; N456-G458 PolarHBondContact OD1-N 3Å; N456-G458 VanDerWaalsContact OD1-N 3.16Å; G458-G460 VanDerWaalsContact C-N 3.33Å; G458-Q462 PolarHBondContact O-N 3.45Å
459Q88.5Confident93.4Very high41 Ų4141.6 Ų41.619%0.19221%0.21CC..Hα-helixtrans-64.2-40.5172.9-68.2-173.814.100111.4N456 Q462 I463 N538N456-Q459 PolarHBondContact O-N 3.34Å; N456-Q459 PolarHBondContact OD1-N 3.44Å; Q459-Q462 WeakPolarHBondContact O-CB 3.35Å; Q459-Q462 PolarHBondContact O-N 3.5Å; Q459-I463 WeakPolarHBondContact O-CG1 3.48Å; Q459-I463 PolarHBondContact O-N 2.76Å; Q459-N538 PolarHBondContact OE1-ND2 3Å
460G93.4Very high93.4Very high0 Ų041.5 Ų41.50%021%0.21CC..Hα-helixtrans-56.2-50.7176.700000113.4C454 N456 Q457 G458 Q462 I463 E464 W487 L507C454-G460 WeakPolarHBondContact SG-CA 3.4Å; C454-G460 PolarHBondContact SG-N 3.32Å; N456-G460 PolarHBondContact O-N 3.27Å; Q457-G460 PolarHBondContact O-N 3.1Å; G458-G460 VanDerWaalsContact C-N 3.33Å; G460-Q462 VanDerWaalsContact C-N 3.26Å; G460-Q462 PolarHBondContact O-N 3.21Å; G460-I463 PolarHBondContact O-N 3.37Å; G460-I463 VanDerWaalsContact O-N 3.09Å; G460-E464 WeakPolarHBondContact O-CB 3.38Å; G460-E464 PolarHBondContact O-N 3.47Å; G460-W487 VanDerWaalsContact CA-CZ2 3.44Å; G460-L507 WeakPolarHBondContact O-CD2 3.42Å
461K93.5Very high93.1Very high96 Ų9641.9 Ų41.942%0.41721%0.212SC..Hα-helixtrans-59-36177-76.1178175175.80112.5Q457 R465Q457-K461 HydrophobicContact CG-CD 4.18Å; Q457-K461 HydrophobicContact CG-CG 4.23Å; Q457-K461 WeakPolarHBondContact O-CG 3.34Å; Q457-K461 PolarHBondContact O-N 2.66Å; K461-R465 WeakPolarHBondContact O-CG 3.35Å; K461-R465 PolarHBondContact O-N 3.43Å
462Q93.1Very high92.6Very high99 Ų9946.5 Ų46.546%0.46324%0.243SC..Hα-helixtrans-66.7-44.4175.2-175.2176.130.400111.6G458 Q459 G460 R465 W466G458-Q462 PolarHBondContact O-N 3.45Å; Q459-Q462 WeakPolarHBondContact O-CB 3.35Å; Q459-Q462 PolarHBondContact O-N 3.5Å; G460-Q462 VanDerWaalsContact C-N 3.26Å; G460-Q462 PolarHBondContact O-N 3.21Å; Q462-R465 PolarHBondContact O-N 3.46Å; Q462-W466 HydrophobicContact CG-CD2 4.42Å; Q462-W466 HydrophobicContact CG-CH2 3.79Å; Q462-W466 HydrophobicContact CG-CZ2 3.55Å; Q462-W466 HydrophobicContact CG-CZ3 4.32Å; Q462-W466 PolarHBondContact O-N 2.85Å
463I95.4Very high91.8Very high4 Ų449.7 Ų49.72%0.02126%0.26CS..Hα-helixtrans-65.9-40.4178.1-65.9170000110.9T423 L427 F452 C454 Q459 G460 R465 W466 M467 L507 D537T423-I463 HydrophobicContact CG2-CD1 4.32Å; T423-I463 HydrophobicContact CG2-CG1 4.29Å; L427-I463 HydrophobicContact CD1-CG2 4.31Å; F452-I463 HydrophobicContact CD1-CG2 4.48Å; F452-I463 HydrophobicContact CE1-CD1 3.75Å; F452-I463 HydrophobicContact CE1-CG2 4.08Å; F452-I463 HydrophobicContact CZ-CD1 4.24Å; F452-I463 HydrophobicContact CZ-CG2 4.11Å; C454-I463 HydrophobicContact CB-CD1 4.26Å; Q459-I463 WeakPolarHBondContact O-CG1 3.48Å; Q459-I463 PolarHBondContact O-N 2.76Å; G460-I463 PolarHBondContact O-N 3.37Å; G460-I463 VanDerWaalsContact O-N 3.09Å; I463-R465 VanDerWaalsContact C-N 3.35Å; I463-R465 PolarHBondContact O-N 3.48Å; I463-W466 HydrophobicContact CB-CE3 4.47Å; I463-W466 HydrophobicContact CG1-CE3 4.06Å; I463-W466 HydrophobicContact CG1-CZ3 3.98Å; I463-W466 WeakPolarHBondContact O-CB 3.15Å; I463-W466 PolarHBondContact O-N 3.45Å; I463-W466 VanDerWaalsContact O-N 3.13Å; I463-M467 HydrophobicContact CG2-CE 3.63Å; I463-M467 HydrophobicContact CG2-CG 4.25Å; I463-M467 HydrophobicContact CG2-SD 4.05Å; I463-M467 WeakPolarHBondContact O-CG 3.36Å; I463-M467 PolarHBondContact O-N 3.34Å; I463-L507 HydrophobicContact CG2-CD1 4.43Å; I463-L507 HydrophobicContact CG2-CD2 4.48Å; I463-D537 WeakPolarHBondContact CD1-OD2 3.38Å
464E95.4Very high91.1Very high55 Ų5551.5 Ų51.526%0.25727%0.269SS..Hα-helixtrans-54.9-48.4174.2-177.7178.5-16500111.1G460 W466 M467 S468 T485 L507G460-E464 WeakPolarHBondContact O-CB 3.38Å; G460-E464 PolarHBondContact O-N 3.47Å; E464-W466 VanDerWaalsContact C-N 3.3Å; E464-W466 PolarHBondContact O-N 3.09Å; E464-M467 WeakPolarHBondContact O-CB 3.3Å; E464-M467 PolarHBondContact O-N 3.37Å; E464-M467 VanDerWaalsContact O-N 3.14Å; E464-S468 WeakPolarHBondContact O-CB 3.23Å; E464-S468 PolarHBondContact O-N 3.46Å; E464-S468 PolarHBondContact O-OG 3.23Å; E464-S468 VanDerWaalsContact O-OG 3.05Å; E464-T485 HydrophobicContact CB-CG2 4.47Å; E464-T485 HydrophobicContact CG-CG2 3.94Å; E464-T485 VanDerWaalsContact OE1-CG2 3.24Å; E464-T485 WeakPolarHBondContact OE1-CG2 3.03Å; E464-L507 HydrophobicContact CB-CD2 3.87Å
465R93.8Very high90Very high181 Ų18153.1 Ų53.168%0.68329%0.286SS*.Hα-helixtrans-58.3-41176.1-69.5173.4-171.3178.41.9112.6K461 Q462 I463 T469K461-R465 WeakPolarHBondContact O-CG 3.35Å; K461-R465 PolarHBondContact O-N 3.43Å; Q462-R465 PolarHBondContact O-N 3.46Å; I463-R465 VanDerWaalsContact C-N 3.35Å; I463-R465 PolarHBondContact O-N 3.48Å; R465-T469 PolarHBondContact O-N 3.08Å; R465-T469 PolarHBondContact O-OG1 3.28Å
466W94.7Very high88.8Confident62 Ų6256.1 Ų56.124%0.23531%0.307CS..Hα-helixtrans-66.3-44.6175.3-62.3-28.9000111.9T423 W424 L427 Q462 I463 E464 T469 L470T423-W466 HydrophobicContact CG2-CE3 4.47Å; T423-W466 HydrophobicContact CG2-CZ3 4.21Å; W424-W466 HydrophobicContact CH2-CB 4.23Å; W424-W466 HydrophobicContact CH2-CG 4.36Å; W424-W466 HydrophobicContact CZ2-CB 4.05Å; W424-W466 AromaticContact CZ2-CD1 3.93Å; W424-W466 AromaticContact CZ2-CD2 3.95Å; W424-W466 HydrophobicContact CZ2-CD2 3.95Å; W424-W466 AromaticContact CZ2-CG 3.72Å; W424-W466 HydrophobicContact CZ2-CG 3.72Å; L427-W466 HydrophobicContact CD2-CB 3.75Å; L427-W466 HydrophobicContact CD2-CE3 4.04Å; Q462-W466 HydrophobicContact CG-CD2 4.42Å; Q462-W466 HydrophobicContact CG-CH2 3.79Å; Q462-W466 HydrophobicContact CG-CZ2 3.55Å; Q462-W466 HydrophobicContact CG-CZ3 4.32Å; Q462-W466 PolarHBondContact O-N 2.85Å; I463-W466 HydrophobicContact CB-CE3 4.47Å; I463-W466 HydrophobicContact CG1-CE3 4.06Å; I463-W466 HydrophobicContact CG1-CZ3 3.98Å; I463-W466 WeakPolarHBondContact O-CB 3.15Å; I463-W466 PolarHBondContact O-N 3.45Å; I463-W466 VanDerWaalsContact O-N 3.13Å; E464-W466 VanDerWaalsContact C-N 3.3Å; E464-W466 PolarHBondContact O-N 3.09Å; W466-T469 PolarHBondContact O-N 2.98Å; W466-L470 WeakPolarHBondContact O-CG 3.31Å; W466-L470 PolarHBondContact O-N 3.46Å
467M95.3Very high87.4Confident0 Ų057.2 Ų57.20%033%0.326CS..Hα-helixtrans-59.1-50.4176.8-72.6177.3170.900111L427 F452 I463 E464 T469 L470 L471 V483 I505 L507L427-M467 HydrophobicContact CD1-CE 3.59Å; L427-M467 HydrophobicContact CD1-CG 3.77Å; F452-M467 HydrophobicContact CB-CE 4.03Å; F452-M467 HydrophobicContact CD1-CE 4.34Å; F452-M467 HydrophobicContact CD2-CE 3.25Å; F452-M467 HydrophobicContact CE2-CE 3.7Å; F452-M467 HydrophobicContact CG-CE 3.61Å; F452-M467 HydrophobicContact CZ-CE 4.42Å; I463-M467 HydrophobicContact CG2-CE 3.63Å; I463-M467 HydrophobicContact CG2-CG 4.25Å; I463-M467 HydrophobicContact CG2-SD 4.05Å; I463-M467 WeakPolarHBondContact O-CG 3.36Å; I463-M467 PolarHBondContact O-N 3.34Å; E464-M467 WeakPolarHBondContact O-CB 3.3Å; E464-M467 PolarHBondContact O-N 3.37Å; E464-M467 VanDerWaalsContact O-N 3.14Å; M467-T469 PolarHBondContact O-N 3.04Å; M467-L470 PolarHBondContact O-N 3.13Å; M467-L470 VanDerWaalsContact O-N 3.09Å; M467-L471 HydrophobicContact CB-CD1 4.17Å; M467-L471 WeakPolarHBondContact O-CB 3.45Å; M467-L471 WeakPolarHBondContact O-CD1 3.49Å; M467-L471 VanDerWaalsContact O-CG 3.26Å; M467-L471 WeakPolarHBondContact O-CG 3.37Å; M467-L471 PolarHBondContact O-N 2.93Å; M467-V483 HydrophobicContact CB-CG2 4.23Å; M467-V483 HydrophobicContact SD-CG1 4.49Å; M467-I505 HydrophobicContact CE-CD1 4.27Å; M467-I505 HydrophobicContact CE-CG2 4.04Å; M467-I505 HydrophobicContact SD-CD1 4.11Å; M467-I505 HydrophobicContact SD-CG2 4.13Å; M467-L507 HydrophobicContact SD-CD2 4.4Å
468S92Very high86.2Confident60 Ų6054.2 Ų54.242%0.4231%0.314SS..Hα-helixtrans-56.7-39.5178.6-60.50000112E464 C472E464-S468 WeakPolarHBondContact O-CB 3.23Å; E464-S468 PolarHBondContact O-N 3.46Å; E464-S468 PolarHBondContact O-OG 3.23Å; E464-S468 VanDerWaalsContact O-OG 3.05Å; S468-C472 WeakPolarHBondContact O-CB 3.2Å; S468-C472 PolarHBondContact O-N 3Å
469T91.2Very high85.3Confident55 Ų5555.3 Ų55.334%0.33733%0.326SS..Hα-helixtrans-68.5-41.2177.3-53.50000112.2M388 R465 W466 M467M388-T469 HydrophobicContact CE-CG2 3.99Å; M388-T469 HydrophobicContact CG-CG2 3.84Å; M388-T469 HydrophobicContact SD-CG2 3.63Å; R465-T469 PolarHBondContact O-N 3.08Å; R465-T469 PolarHBondContact O-OG1 3.28Å; W466-T469 PolarHBondContact O-N 2.98Å; M467-T469 PolarHBondContact O-N 3.04Å
470L93.2Very high85.2Confident0 Ų054.9 Ų54.90%032%0.324CS..Hα-helixtrans-66.3-41.2177.1-69.5169.3000112.1I381 A384 M385 M388 W424 L427 C431 W466 M467I381-L470 HydrophobicContact CD1-CB 4.03Å; I381-L470 HydrophobicContact CD1-CD2 4.18Å; I381-L470 WeakPolarHBondContact CD1-O 3.28Å; I381-L470 HydrophobicContact CG2-CD2 4.29Å; A384-L470 HydrophobicContact CB-CD2 3.88Å; M385-L470 HydrophobicContact CG-CD2 3.94Å; M388-L470 HydrophobicContact CE-CD2 3.54Å; M388-L470 HydrophobicContact CE-CG 3.83Å; W424-L470 HydrophobicContact CH2-CD1 4.24Å; W424-L470 HydrophobicContact CZ3-CD1 4Å; W424-L470 HydrophobicContact CZ3-CD2 4.24Å; L427-L470 HydrophobicContact CD2-CD1 4.12Å; L427-L470 HydrophobicContact CG-CD1 3.91Å; C431-L470 HydrophobicContact CB-CB 3.98Å; C431-L470 HydrophobicContact CB-CD1 4.19Å; C431-L470 VanDerWaalsContact SG-CD1 3.56Å; W466-L470 WeakPolarHBondContact O-CG 3.31Å; W466-L470 PolarHBondContact O-N 3.46Å; M467-L470 PolarHBondContact O-N 3.13Å; M467-L470 VanDerWaalsContact O-N 3.09Å
471L91.4Very high85Confident7 Ų758.6 Ų58.64%0.03734%0.341CS..Hα-helixtrans-79.6-36.4-175.5-66.9161.5000112.2C431 H435 M467 L473 L474 D482 V483 I505C431-L471 HydrophobicContact CB-CD2 3.97Å; C431-L471 HydrophobicContact CB-CG 4.14Å; C431-L471 WeakPolarHBondContact O-CD2 3.36Å; H435-L471 HydrophobicContact CB-CD2 3.88Å; M467-L471 HydrophobicContact CB-CD1 4.17Å; M467-L471 WeakPolarHBondContact O-CB 3.45Å; M467-L471 WeakPolarHBondContact O-CD1 3.49Å; M467-L471 VanDerWaalsContact O-CG 3.26Å; M467-L471 WeakPolarHBondContact O-CG 3.37Å; M467-L471 PolarHBondContact O-N 2.93Å; L471-L473 VanDerWaalsContact C-N 3.25Å; L471-L473 PolarHBondContact O-N 3.03Å; L471-L474 HydrophobicContact CD2-CD1 4.33Å; L471-L474 WeakPolarHBondContact O-CB 3.38Å; L471-L474 PolarHBondContact O-N 3.26Å; L471-D482 HydrophobicContact CD1-CB 4.04Å; L471-V483 HydrophobicContact CD1-CG2 3.37Å; L471-I505 HydrophobicContact CD1-CD1 4.28Å
472C86.9Confident84.9Confident98 Ų9855.5 Ų55.566%0.66233%0.329SS*.Hα-helixtrans-54.6-40179.1179.90000112.7S468 L474 G475S468-C472 WeakPolarHBondContact O-CB 3.2Å; S468-C472 PolarHBondContact O-N 3Å; C472-L474 VanDerWaalsContact C-N 3.3Å; C472-L474 PolarHBondContact O-N 3.3Å; C472-G475 PolarHBondContact O-N 3.19Å
473L81.4Confident85Confident66 Ų6652.1 Ų52.135%0.34632%0.315SS..THydrogen-bonded Turntrans-74-17.9179-62.9-166.8000114.1I380 A384 L471 G475I380-L473 HydrophobicContact CG2-CB 3.66Å; I380-L473 WeakPolarHBondContact CG2-O 3.22Å; A384-L473 HydrophobicContact CB-CD1 3.64Å; A384-L473 HydrophobicContact CB-CG 4.32Å; L471-L473 VanDerWaalsContact C-N 3.25Å; L471-L473 PolarHBondContact O-N 3.03Å; L473-G475 VanDerWaalsContact C-N 3.31Å
474L83.2Confident85Confident38 Ų3851.9 Ų51.920%0.19931%0.314CS..THydrogen-bonded Turntrans-77.6-19.4175.1-67.7173.2000112.2I380 I381 H435 L471 C472I380-L474 HydrophobicContact CB-CD2 4.07Å; I380-L474 HydrophobicContact CD1-CD2 4.38Å; I380-L474 HydrophobicContact CG2-CD2 3.83Å; I380-L474 HydrophobicContact CG2-CG 4.35Å; I381-L474 HydrophobicContact CD1-CD1 3.87Å; I381-L474 HydrophobicContact CD1-CD2 4.37Å; I381-L474 HydrophobicContact CD1-CG 4.13Å; I381-L474 HydrophobicContact CG1-CD1 4.36Å; I381-L474 HydrophobicContact CG1-CD2 4.19Å; I381-L474 HydrophobicContact CG1-CG 4.49Å; H435-L474 HydrophobicContact CB-CD1 3.91Å; L471-L474 HydrophobicContact CD2-CD1 4.33Å; L471-L474 WeakPolarHBondContact O-CB 3.38Å; L471-L474 PolarHBondContact O-N 3.26Å; C472-L474 VanDerWaalsContact C-N 3.3Å; C472-L474 PolarHBondContact O-N 3.3Å
475G71.7Confident85Confident35 Ų3550.6 Ų50.636%0.36131%0.31SS..  trans78.6166.3-174.200000112.4H435 C472 L473H435-G475 PolarHBondContact CE1-O 3.02Å; C472-G475 PolarHBondContact O-N 3.19Å; L473-G475 VanDerWaalsContact C-N 3.31Å
476S64.3Low85.1Confident72 Ų7242 Ų4250%0.50328%0.277SS..  trans-122.6101174.6-175.10000109.1
477A58.5Low85Confident92 Ų9240.8 Ų40.876%0.7627%0.273SS*.  trans-93.2-17.7178.100000112.6
478S63.6Low84.6Confident25 Ų2543.9 Ų43.918%0.17529%0.289CS..SBendtrans-97.2-1.7-167.353.20000115.5Q439 F480Q439-S478 PolarHBondContact NE2-OG 2.73Å; Q439-S478 VanDerWaalsContact OE1-CB 3.28Å; S478-F480 WeakPolarHBondContact O-CD2 3.3Å; S478-F480 WeakPolarHBondContact O-CG 3.48Å; S478-F480 PolarHBondContact O-N 2.73Å
479G71.9Confident84.2Confident76 Ų7646.5 Ų46.578%0.78429%0.293SS*.SBendtrans60.34-177.200000115.2
480F85.1Confident84Confident32 Ų3248.8 Ų48.814%0.1431%0.307CS..SBendtrans-94.2157177.4-62.4-48.6000111L438 D443 S478 D482 P502L438-F480 HydrophobicContact CD1-CB 3.95Å; L438-F480 HydrophobicContact CD1-CD2 3.96Å; L438-F480 HydrophobicContact CD1-CG 4.25Å; L438-F480 HydrophobicContact CD2-CB 4.01Å; L438-F480 HydrophobicContact CG-CB 4.2Å; L438-F480 HydrophobicContact CG-CD2 4.33Å; D443-F480 HydrophobicContact CB-CZ 4.35Å; D443-F480 WeakPolarHBondContact OD1-CZ 3.3Å; S478-F480 WeakPolarHBondContact O-CD2 3.3Å; S478-F480 WeakPolarHBondContact O-CG 3.48Å; S478-F480 PolarHBondContact O-N 2.73Å; F480-D482 PolarHBondContact O-N 2.74Å; F480-P502 HydrophobicContact CD1-CB 4.32Å; F480-P502 HydrophobicContact CD1-CG 4.41Å; F480-P502 HydrophobicContact CD2-CB 4.02Å; F480-P502 HydrophobicContact CD2-CG 4.42Å; F480-P502 HydrophobicContact CE1-CB 4.45Å; F480-P502 HydrophobicContact CE1-CG 4.07Å; F480-P502 HydrophobicContact CE2-CB 4.16Å; F480-P502 HydrophobicContact CE2-CG 4.08Å; F480-P502 HydrophobicContact CG-CB 4.15Å; F480-P502 HydrophobicContact CZ-CB 4.4Å; F480-P502 HydrophobicContact CZ-CG 3.92Å
481E90.4Very high83.7Confident78 Ų7853 Ų5336%0.36433%0.327SS..EExtended strand (participates in β ladder)trans-75.4120.9178.4-57.7-171.4-115.600110.4V484 R498 V503 G504E481-V484 HydrophobicContact CB-CG2 4.13Å; E481-R498 IonicContact OE1-CZ 2.73Å; E481-R498 IonicContact OE1-NE 3.83Å; E481-R498 PolarHBondContact OE1-NE 3.11Å; E481-R498 IonicContact OE2-CZ 3.89Å; E481-R498 VanDerWaalsContact OE2-CZ 3.24Å; E481-R498 IonicContact OE2-NE 3.56Å; E481-R498 PolarHBondContact OE2-NE 3.37Å; E481-R498 VanDerWaalsContact OE2-NE 3.11Å; E481-R498 IonicContact OE2-NH2 3.67Å; E481-R498 PolarHBondContact OE2-NH2 2.97Å; E481-V503 WeakPolarHBondContact O-CA 3.38Å; E481-G504 PolarHBondContact O-N 3.48Å
482D91.1Very high83.5Confident31 Ų3153.9 Ų53.917%0.16633%0.332CS..EExtended strand (participates in β ladder)trans-69.7-34.5177.6-68.3-70.1000112H435 L471 F480 G504 I505H435-D482 IonicContact CE1-OD1 3.81Å; H435-D482 IonicContact ND1-OD1 2.73Å; H435-D482 PolarHBondContact ND1-OD1 2.86Å; L471-D482 HydrophobicContact CD1-CB 4.04Å; F480-D482 PolarHBondContact O-N 2.74Å; D482-G504 CarbonylContact O-C 3.36Å; D482-G504 VanDerWaalsContact O-CA 3.31Å; D482-G504 WeakPolarHBondContact O-CA 3.45Å; D482-I505 PolarHBondContact O-N 3.5Å
483V94.6Very high83.6Confident27 Ų2755 Ų5516%0.16434%0.335CS..EExtended strand (participates in β ladder)trans-137.9128.7179.4-172.50000110.8M467 L471 T485 I505M467-V483 HydrophobicContact CB-CG2 4.23Å; M467-V483 HydrophobicContact SD-CG1 4.49Å; L471-V483 HydrophobicContact CD1-CG2 3.37Å; V483-T485 HydrophobicContact CG1-CG2 4.12Å; V483-I505 CarbonylContact C-O 3.48Å; V483-I505 WeakPolarHBondContact CA-O 3.38Å; V483-I505 HydrophobicContact CG2-CB 4.44Å
484V95.3Very high84.1Confident0 Ų054.8 Ų54.80%033%0.334CS..EExtended strand (participates in β ladder)trans-115.2125168.6172.40000108.2E481 I495 V503 I505 L506 L507E481-V484 HydrophobicContact CB-CG2 4.13Å; V484-I495 HydrophobicContact CG1-CD1 3.83Å; V484-I495 HydrophobicContact CG1-CG2 4.49Å; V484-V503 HydrophobicContact CB-CG1 4.01Å; V484-V503 HydrophobicContact CG2-CB 4.39Å; V484-V503 HydrophobicContact CG2-CG1 3.51Å; V484-V503 HydrophobicContact CG2-CG2 3.91Å; V484-I505 PolarHBondContact N-O 2.93Å; V484-L506 HydrophobicContact CG1-CD1 4.22Å; V484-L506 CarbonylContact O-C 3.53Å; V484-L506 WeakPolarHBondContact O-CA 3.15Å; V484-L507 PolarHBondContact O-N 2.87Å
485T96.1Very high84.6Confident27 Ų2753 Ų5317%0.16633%0.325CS..EExtended strand (participates in β ladder)trans-104140.9176.858.50000111.4E464 V483 I495 L507E464-T485 HydrophobicContact CB-CG2 4.47Å; E464-T485 HydrophobicContact CG-CG2 3.94Å; E464-T485 VanDerWaalsContact OE1-CG2 3.24Å; E464-T485 WeakPolarHBondContact OE1-CG2 3.03Å; V483-T485 HydrophobicContact CG1-CG2 4.12Å; T485-I495 VanDerWaalsContact O-CD1 3.3Å; T485-I495 WeakPolarHBondContact O-CD1 3.27Å; T485-L507 WeakPolarHBondContact CA-O 3.38Å; T485-L507 HydrophobicContact CG2-CB 4.18Å; T485-L507 HydrophobicContact CG2-CD2 4.06Å; T485-L507 HydrophobicContact CG2-CG 4.47Å
486H95Very high85.5Confident0 Ų052.6 Ų52.60%032%0.315CS..EExtended strand (participates in β ladder)trans-134.6108.7178.2177.1-131.7000109.8D488 I495 L506 L507 T508 L512H486-D488 PolarHBondContact CD2-O 3.22Å; H486-D488 PolarHBondContact NE2-O 2.68Å; H486-I495 HydrophobicContact CB-CD1 4.31Å; H486-I495 HydrophobicContact CB-CG1 4.08Å; H486-I495 HydrophobicContact CB-CG2 4.2Å; H486-L506 HydrophobicContact CB-CD1 4.39Å; H486-L507 PolarHBondContact N-O 3.16Å; H486-T508 PolarHBondContact ND1-OG1 2.99Å; H486-T508 WeakPolarHBondContact O-CA 3.48Å; H486-T508 PolarHBondContact O-OG1 3.36Å; H486-L512 WeakPolarHBondContact ND1-CB 3.47Å; H486-L512 WeakPolarHBondContact O-CD1 3.24Å
487W92.8Very high86.8Confident37 Ų3756.3 Ų56.314%0.1432%0.318CS..  trans-127.5-8.1-174.1-59.1120.3000114.5C454 Q457 G460 L507 L512C454-W487 WeakPolarHBondContact SG-CH2 3.5Å; Q457-W487 HydrophobicContact CB-CB 4.46Å; Q457-W487 HydrophobicContact CB-CD2 4.03Å; Q457-W487 HydrophobicContact CB-CE3 3.96Å; Q457-W487 HydrophobicContact CB-CG 4.26Å; Q457-W487 HydrophobicContact CG-CB 3.96Å; Q457-W487 HydrophobicContact CG-CD2 3.81Å; Q457-W487 HydrophobicContact CG-CE3 4.27Å; Q457-W487 HydrophobicContact CG-CG 3.65Å; G460-W487 VanDerWaalsContact CA-CZ2 3.44Å; W487-L507 HydrophobicContact CH2-CD1 4.33Å; W487-L507 HydrophobicContact CH2-CG 4Å; W487-L507 HydrophobicContact CZ2-CD1 4.44Å; W487-L507 HydrophobicContact CZ2-CD2 3.96Å; W487-L507 HydrophobicContact CZ2-CG 3.69Å; W487-L512 VanDerWaalsContact C-CD1 3.41Å; W487-L512 VanDerWaalsContact CA-CD1 3.42Å
488D87.8Confident88.4Confident65 Ų6554.3 Ų54.335%0.34829%0.291SS..  trans-134.4131.5-176.5-174.2-5000110.4H486 T490 Q491H486-D488 PolarHBondContact CD2-O 3.22Å; H486-D488 PolarHBondContact NE2-O 2.68Å; D488-T490 PolarHBondContact O-N 2.8Å; D488-T490 WeakPolarHBondContact OD1-CG2 3.41Å; D488-T490 PolarHBondContact OD1-N 2.54Å; D488-T490 PolarHBondContact OD1-OG1 2.89Å; D488-T490 PolarHBondContact OD2-OG1 3.41Å; D488-Q491 HydrophobicContact CB-CG 4.05Å; D488-Q491 PolarHBondContact O-N 3.1Å; D488-Q491 VanDerWaalsContact O-N 3.16Å
489K83.8Confident89.8Confident115 Ų11553.1 Ų53.150%0.528%0.283SS..G310 helixtrans-63.7-29.5178.3-65.9-176.8177.2168.60112.1Q491 L492 D511 L512K489-Q491 PolarHBondContact O-N 3.45Å; K489-L492 WeakPolarHBondContact O-CB 3.16Å; K489-L492 PolarHBondContact O-N 2.82Å; K489-D511 WeakPolarHBondContact CE-OD2 3.14Å; K489-D511 IonicContact NZ-OD2 2.85Å; K489-D511 PolarHBondContact NZ-OD2 2.7Å; K489-L512 HydrophobicContact CB-CD2 4.46Å; K489-L512 HydrophobicContact CD-CD2 4.36Å; K489-L512 HydrophobicContact CG-CD2 3.42Å; K489-L512 VanDerWaalsContact CG-CD2 3.42Å
490T85.4Confident90.7Very high104 Ų10455.2 Ų55.264%0.63827%0.27SS*.G310 helixtrans-65.8-25.1177.869.60000112D488 L492D488-T490 PolarHBondContact O-N 2.8Å; D488-T490 WeakPolarHBondContact OD1-CG2 3.41Å; D488-T490 PolarHBondContact OD1-N 2.54Å; D488-T490 PolarHBondContact OD1-OG1 2.89Å; D488-T490 PolarHBondContact OD2-OG1 3.41Å; T490-L492 VanDerWaalsContact C-N 3.3Å; T490-L492 PolarHBondContact O-N 3.41Å
491Q87.6Confident90.9Very high88 Ų8860.4 Ų60.441%0.41129%0.293SS..G310 helixtrans-85.92.7-177.6-62.1179.3-2.700113.5D488 K489 V493 D494 I495D488-Q491 HydrophobicContact CB-CG 4.05Å; D488-Q491 PolarHBondContact O-N 3.1Å; D488-Q491 VanDerWaalsContact O-N 3.16Å; K489-Q491 PolarHBondContact O-N 3.45Å; Q491-V493 VanDerWaalsContact C-N 3.26Å; Q491-V493 PolarHBondContact O-N 3.23Å; Q491-V493 VanDerWaalsContact O-N 3.14Å; Q491-D494 PolarHBondContact O-N 2.89Å; Q491-I495 HydrophobicContact CB-CG1 4.39Å; Q491-I495 WeakPolarHBondContact O-CG1 3.4Å; Q491-I495 PolarHBondContact O-N 3.41Å
492L87.4Confident91.1Very high26 Ų2656.8 Ų56.814%0.13628%0.276CS..Hα-helixtrans-51.1-44.9-174.4-179.369.7000112.8K489 T490 D494 I495 V496 Q515 L516K489-L492 WeakPolarHBondContact O-CB 3.16Å; K489-L492 PolarHBondContact O-N 2.82Å; T490-L492 VanDerWaalsContact C-N 3.3Å; T490-L492 PolarHBondContact O-N 3.41Å; L492-D494 VanDerWaalsContact C-N 3.34Å; L492-D494 PolarHBondContact O-N 3.38Å; L492-I495 PolarHBondContact O-N 2.91Å; L492-V496 HydrophobicContact CD1-CG2 4.23Å; L492-V496 HydrophobicContact CG-CG2 4.35Å; L492-V496 WeakPolarHBondContact O-CB 3.4Å; L492-V496 VanDerWaalsContact O-CG2 3.25Å; L492-V496 WeakPolarHBondContact O-CG2 3.49Å; L492-V496 PolarHBondContact O-N 3.12Å; L492-Q515 HydrophobicContact CD1-CG 4.17Å; L492-Q515 HydrophobicContact CD2-CG 4.23Å; L492-L516 HydrophobicContact CD1-CD2 3.58Å; L492-L516 HydrophobicContact CD1-CG 4.24Å
493V88.6Confident91.2Very high121 Ų12155.3 Ų55.373%0.73327%0.268SS*.Hα-helixtrans-63.2-41.9-178.3179.40000111.3Q491 R497Q491-V493 VanDerWaalsContact C-N 3.26Å; Q491-V493 PolarHBondContact O-N 3.23Å; Q491-V493 VanDerWaalsContact O-N 3.14Å; V493-R497 WeakPolarHBondContact O-CB 3.08Å; V493-R497 PolarHBondContact O-N 3.37Å
494D91.9Very high91.2Very high61 Ų6154.1 Ų54.133%0.32626%0.261SS..Hα-helixtrans-66.2-45.5177.6-177.261.6000111.6Q491 L492 V496 R497 R498Q491-D494 PolarHBondContact O-N 2.89Å; L492-D494 VanDerWaalsContact C-N 3.34Å; L492-D494 PolarHBondContact O-N 3.38Å; D494-V496 PolarHBondContact O-N 2.9Å; D494-R497 WeakPolarHBondContact O-CB 3.44Å; D494-R497 PolarHBondContact O-N 3.14Å; D494-R497 VanDerWaalsContact O-N 3.15Å; D494-R497 IonicContact OD1-CZ 2.68Å; D494-R497 IonicContact OD1-NE 2.72Å; D494-R497 PolarHBondContact OD1-NE 2.83Å; D494-R497 IonicContact OD1-NH2 3.1Å; D494-R497 PolarHBondContact OD1-NH2 3.42Å; D494-R498 WeakPolarHBondContact O-CG 3.47Å; D494-R498 PolarHBondContact O-N 3.27Å; D494-R498 VanDerWaalsContact OD2-CD 3.3Å; D494-R498 WeakPolarHBondContact OD2-CD 3.33Å; D494-R498 IonicContact OD2-NH1 3.28Å
495I93.6Very high91.3Very high0 Ų054.1 Ų54.10%026%0.261CS..Hα-helixtrans-63.2-44.4178.5-63.1-56.9000111.1V484 T485 H486 Q491 L492 R497 R498 L499 L516V484-I495 HydrophobicContact CG1-CD1 3.83Å; V484-I495 HydrophobicContact CG1-CG2 4.49Å; T485-I495 VanDerWaalsContact O-CD1 3.3Å; T485-I495 WeakPolarHBondContact O-CD1 3.27Å; H486-I495 HydrophobicContact CB-CD1 4.31Å; H486-I495 HydrophobicContact CB-CG1 4.08Å; H486-I495 HydrophobicContact CB-CG2 4.2Å; Q491-I495 HydrophobicContact CB-CG1 4.39Å; Q491-I495 WeakPolarHBondContact O-CG1 3.4Å; Q491-I495 PolarHBondContact O-N 3.41Å; L492-I495 PolarHBondContact O-N 2.91Å; I495-R497 VanDerWaalsContact C-N 3.27Å; I495-R497 PolarHBondContact O-N 2.98Å; I495-R498 PolarHBondContact O-N 3.15Å; I495-L499 HydrophobicContact CG2-CD1 3.92Å; I495-L499 HydrophobicContact CG2-CG 4.23Å; I495-L499 WeakPolarHBondContact O-CB 3.34Å; I495-L499 VanDerWaalsContact O-CG 3.3Å; I495-L499 WeakPolarHBondContact O-CG 3.42Å; I495-L499 PolarHBondContact O-N 3.46Å; I495-L516 HydrophobicContact CG2-CD1 4.27Å; I495-L516 HydrophobicContact CG2-CD2 4.14Å
496V91.9Very high91.3Very high28 Ų2852.8 Ų52.817%0.1725%0.253CS..Hα-helixtrans-59-40.9174.91680000111.1L492 D494 L499 K500 L516 I525L492-V496 HydrophobicContact CD1-CG2 4.23Å; L492-V496 HydrophobicContact CG-CG2 4.35Å; L492-V496 WeakPolarHBondContact O-CB 3.4Å; L492-V496 VanDerWaalsContact O-CG2 3.25Å; L492-V496 WeakPolarHBondContact O-CG2 3.49Å; L492-V496 PolarHBondContact O-N 3.12Å; D494-V496 PolarHBondContact O-N 2.9Å; V496-L499 PolarHBondContact O-N 3.14Å; V496-K500 WeakPolarHBondContact O-CG 3.25Å; V496-K500 PolarHBondContact O-N 3.29Å; V496-L516 HydrophobicContact CG2-CD2 3.96Å; V496-I525 HydrophobicContact CG1-CD1 4.37Å; V496-I525 HydrophobicContact CG1-CG1 4.09Å; V496-I525 HydrophobicContact CG1-CG2 4.38Å; V496-I525 HydrophobicContact CG2-CD1 3.88Å; V496-I525 HydrophobicContact CG2-CG1 4.43Å; V496-I525 HydrophobicContact CG2-CG2 4.35Å
497R90.7Very high91.5Very high150 Ų15052.8 Ų52.857%0.56625%0.253SS*.Hα-helixtrans-63.3-42.4176.3-178.4-168.364.578.12.5111.9V493 D494 I495 K500V493-R497 WeakPolarHBondContact O-CB 3.08Å; V493-R497 PolarHBondContact O-N 3.37Å; D494-R497 WeakPolarHBondContact O-CB 3.44Å; D494-R497 PolarHBondContact O-N 3.14Å; D494-R497 VanDerWaalsContact O-N 3.15Å; D494-R497 IonicContact OD1-CZ 2.68Å; D494-R497 IonicContact OD1-NE 2.72Å; D494-R497 PolarHBondContact OD1-NE 2.83Å; D494-R497 IonicContact OD1-NH2 3.1Å; D494-R497 PolarHBondContact OD1-NH2 3.42Å; I495-R497 VanDerWaalsContact C-N 3.27Å; I495-R497 PolarHBondContact O-N 2.98Å; R497-K500 WeakPolarHBondContact O-CB 3.48Å; R497-K500 PolarHBondContact O-N 3.42Å
498R92.7Very high91.7Very high50 Ų5051 Ų5119%0.18925%0.246CC..Hα-helixtrans-66.3-41.5177.4-70.3168.670.5-1700.4111.9E481 D494 I495 K500 K501E481-R498 IonicContact OE1-CZ 2.73Å; E481-R498 IonicContact OE1-NE 3.83Å; E481-R498 PolarHBondContact OE1-NE 3.11Å; E481-R498 IonicContact OE2-CZ 3.89Å; E481-R498 VanDerWaalsContact OE2-CZ 3.24Å; E481-R498 IonicContact OE2-NE 3.56Å; E481-R498 PolarHBondContact OE2-NE 3.37Å; E481-R498 VanDerWaalsContact OE2-NE 3.11Å; E481-R498 IonicContact OE2-NH2 3.67Å; E481-R498 PolarHBondContact OE2-NH2 2.97Å; D494-R498 WeakPolarHBondContact O-CG 3.47Å; D494-R498 PolarHBondContact O-N 3.27Å; D494-R498 VanDerWaalsContact OD2-CD 3.3Å; D494-R498 WeakPolarHBondContact OD2-CD 3.33Å; D494-R498 IonicContact OD2-NH1 3.28Å; I495-R498 PolarHBondContact O-N 3.15Å; R498-K500 PolarHBondContact O-N 3.33Å; R498-K501 PolarHBondContact O-N 3.1Å
499L92.9Very high92Very high0 Ų048.5 Ų48.50%023%0.234CC..Hα-helixtrans-70.2-12.4178.2-65.5-179.5000114.1G447 I495 V496 K501 V503 L506 L516 I525G447-L499 WeakPolarHBondContact CA-O 3.32Å; G447-L499 PolarHBondContact N-O 2.98Å; I495-L499 HydrophobicContact CG2-CD1 3.92Å; I495-L499 HydrophobicContact CG2-CG 4.23Å; I495-L499 WeakPolarHBondContact O-CB 3.34Å; I495-L499 VanDerWaalsContact O-CG 3.3Å; I495-L499 WeakPolarHBondContact O-CG 3.42Å; I495-L499 PolarHBondContact O-N 3.46Å; V496-L499 PolarHBondContact O-N 3.14Å; L499-K501 CarbonylContact C-O 3.52Å; L499-K501 PolarHBondContact O-N 3.16Å; L499-V503 HydrophobicContact CD2-CB 4.45Å; L499-V503 HydrophobicContact CD2-CG2 4.22Å; L499-L506 HydrophobicContact CD1-CD2 4.16Å; L499-L516 HydrophobicContact CD1-CD1 4.35Å; L499-L516 HydrophobicContact CD1-CD2 4.42Å; L499-I525 CarbonylContact C-O 3.6Å; L499-I525 HydrophobicContact CB-CG2 3.86Å; L499-I525 HydrophobicContact CD1-CG2 4.05Å
500K89.9Confident92.5Very high120 Ų12043.1 Ų43.152%0.52221%0.211SC..THydrogen-bonded Turntrans-67-10.3170.8-76.1177.1-179.7-178.90113.6R446 V496 R497 R498R446-K500 WeakPolarHBondContact CG-O 3.39Å; V496-K500 WeakPolarHBondContact O-CG 3.25Å; V496-K500 PolarHBondContact O-N 3.29Å; R497-K500 WeakPolarHBondContact O-CB 3.48Å; R497-K500 PolarHBondContact O-N 3.42Å; R498-K500 PolarHBondContact O-N 3.33Å
501K90.5Very high92.8Very high141 Ų14139.9 Ų39.961%0.61319%0.189SC*.SBendtrans-110164.8172-65.4-175.2179.2-175.30110.4G447 R498 L499 V503G447-K501 PolarHBondContact N-O 2.88Å; R498-K501 PolarHBondContact O-N 3.1Å; L499-K501 CarbonylContact C-O 3.52Å; L499-K501 PolarHBondContact O-N 3.16Å; K501-V503 PolarHBondContact O-N 3.18Å
502P92.8Very high93.1Very high1 Ų135.9 Ų35.91%0.00617%0.171CC..EExtended strand (participates in β ladder)trans-59135.1170.4-22.235000111.3L438 R441 P442 G445 F480L438-P502 HydrophobicContact CD1-CB 3.79Å; R441-P502 HydrophobicContact CB-CB 4.31Å; P442-P502 WeakPolarHBondContact O-CG 3.48Å; G445-P502 WeakPolarHBondContact O-CD 3.49Å; G445-P502 WeakPolarHBondContact O-CG 3.21Å; F480-P502 HydrophobicContact CD1-CB 4.32Å; F480-P502 HydrophobicContact CD1-CG 4.41Å; F480-P502 HydrophobicContact CD2-CB 4.02Å; F480-P502 HydrophobicContact CD2-CG 4.42Å; F480-P502 HydrophobicContact CE1-CB 4.45Å; F480-P502 HydrophobicContact CE1-CG 4.07Å; F480-P502 HydrophobicContact CE2-CB 4.16Å; F480-P502 HydrophobicContact CE2-CG 4.08Å; F480-P502 HydrophobicContact CG-CB 4.15Å; F480-P502 HydrophobicContact CZ-CB 4.4Å; F480-P502 HydrophobicContact CZ-CG 3.92Å
503V93.8Very high93.4Very high1 Ų134.8 Ų34.81%0.00617%0.165CC..EExtended strand (participates in β ladder)trans-133.9146.5177.4171.50000108.7G447 P448 T449 E481 V484 L499 K501G447-V503 PolarHBondContact O-N 3.18Å; P448-V503 CarbonylContact C-O 3.49Å; P448-V503 VanDerWaalsContact CA-O 3.23Å; P448-V503 WeakPolarHBondContact CA-O 3.46Å; T449-V503 PolarHBondContact N-O 3.25Å; E481-V503 WeakPolarHBondContact O-CA 3.38Å; V484-V503 HydrophobicContact CB-CG1 4.01Å; V484-V503 HydrophobicContact CG2-CB 4.39Å; V484-V503 HydrophobicContact CG2-CG1 3.51Å; V484-V503 HydrophobicContact CG2-CG2 3.91Å; L499-V503 HydrophobicContact CD2-CB 4.45Å; L499-V503 HydrophobicContact CD2-CG2 4.22Å; K501-V503 PolarHBondContact O-N 3.18Å
504G94.1Very high93.6Very high1 Ų129.6 Ų29.61%0.0113%0.133CC..EExtended strand (participates in β ladder)trans-68.1-71175.700000111.7T449 C450 E481 D482T449-G504 CarbonylContact C-O 3.5Å; T449-G504 WeakPolarHBondContact CA-O 3.45Å; T449-G504 WeakPolarHBondContact CB-O 3.42Å; T449-G504 PolarHBondContact N-O 3.1Å; C450-G504 PolarHBondContact N-O 2.94Å; E481-G504 PolarHBondContact O-N 3.48Å; D482-G504 CarbonylContact O-C 3.36Å; D482-G504 VanDerWaalsContact O-CA 3.31Å; D482-G504 WeakPolarHBondContact O-CA 3.45Å
505I97.1Very high93.5Very high0 Ų029 Ų290%013%0.128CC..EExtended strand (participates in β ladder)trans-125.8129.1-173.3-51.7178000110.2V430 C450 F452 M467 L471 D482 V483 V484V430-I505 HydrophobicContact CG1-CD1 4.18Å; C450-I505 HydrophobicContact CB-CG1 4.22Å; C450-I505 HydrophobicContact CB-CG2 4.42Å; C450-I505 CarbonylContact O-C 3.59Å; C450-I505 WeakPolarHBondContact O-CA 3.28Å; F452-I505 HydrophobicContact CB-CG2 4.09Å; M467-I505 HydrophobicContact CE-CD1 4.27Å; M467-I505 HydrophobicContact CE-CG2 4.04Å; M467-I505 HydrophobicContact SD-CD1 4.11Å; M467-I505 HydrophobicContact SD-CG2 4.13Å; L471-I505 HydrophobicContact CD1-CD1 4.28Å; D482-I505 PolarHBondContact O-N 3.5Å; V483-I505 CarbonylContact C-O 3.48Å; V483-I505 WeakPolarHBondContact CA-O 3.38Å; V483-I505 HydrophobicContact CG2-CB 4.44Å; V484-I505 PolarHBondContact N-O 2.93Å
506L97.5Very high93.4Very high0 Ų029 Ų290%013%0.128CC..EExtended strand (participates in β ladder)trans-95.4117.2163.5172.563.8000108.9P448 C450 F452 V484 H486 L499 T508 L516P448-L506 HydrophobicContact CB-CB 3.82Å; P448-L506 HydrophobicContact CG-CB 3.97Å; P448-L506 HydrophobicContact CG-CD2 4.45Å; C450-L506 PolarHBondContact O-N 3.13Å; F452-L506 PolarHBondContact N-O 3.33Å; V484-L506 HydrophobicContact CG1-CD1 4.22Å; V484-L506 CarbonylContact O-C 3.53Å; V484-L506 WeakPolarHBondContact O-CA 3.15Å; H486-L506 HydrophobicContact CB-CD1 4.39Å; L499-L506 HydrophobicContact CD1-CD2 4.16Å; L506-T508 HydrophobicContact CG-CG2 4.38Å; L506-L516 HydrophobicContact CD2-CD1 4Å
507L98.1Very high93.2Very high0 Ų027.8 Ų27.80%012%0.121CC..EExtended strand (participates in β ladder)trans-108.8120.9177.1174.866.5000110.6F452 G460 I463 E464 M467 V484 T485 H486 W487F452-L507 HydrophobicContact CB-CD1 3.86Å; F452-L507 HydrophobicContact CD1-CD1 3.52Å; F452-L507 HydrophobicContact CE1-CD1 4.4Å; F452-L507 HydrophobicContact CG-CD1 3.96Å; F452-L507 WeakPolarHBondContact O-CA 3.18Å; G460-L507 WeakPolarHBondContact O-CD2 3.42Å; I463-L507 HydrophobicContact CG2-CD1 4.43Å; I463-L507 HydrophobicContact CG2-CD2 4.48Å; E464-L507 HydrophobicContact CB-CD2 3.87Å; M467-L507 HydrophobicContact SD-CD2 4.4Å; V484-L507 PolarHBondContact O-N 2.87Å; T485-L507 WeakPolarHBondContact CA-O 3.38Å; T485-L507 HydrophobicContact CG2-CB 4.18Å; T485-L507 HydrophobicContact CG2-CD2 4.06Å; T485-L507 HydrophobicContact CG2-CG 4.47Å; H486-L507 PolarHBondContact N-O 3.16Å; W487-L507 HydrophobicContact CH2-CD1 4.33Å; W487-L507 HydrophobicContact CH2-CG 4Å; W487-L507 HydrophobicContact CZ2-CD1 4.44Å; W487-L507 HydrophobicContact CZ2-CD2 3.96Å; W487-L507 HydrophobicContact CZ2-CG 3.69Å
508T97.3Very high93Very high0 Ų025.2 Ų25.20%012%0.118CC..EExtended strand (participates in β ladder)trans-156.7-177.2-171.1-165.20000113.5F452 V453 C454 H486 L506 L512 L513F452-T508 PolarHBondContact O-N 3.39Å; V453-T508 WeakPolarHBondContact CA-O 3.38Å; C454-T508 PolarHBondContact N-O 3.04Å; H486-T508 PolarHBondContact ND1-OG1 2.99Å; H486-T508 WeakPolarHBondContact O-CA 3.48Å; H486-T508 PolarHBondContact O-OG1 3.36Å; L506-T508 HydrophobicContact CG-CG2 4.38Å; T508-L512 WeakPolarHBondContact OG1-CB 3.46Å; T508-L513 HydrophobicContact CG2-CB 3.83Å; T508-L513 HydrophobicContact CG2-CD1 4.5Å
509S95Very high92.5Very high11 Ų1127.9 Ų27.98%0.07713%0.133CC..  trans-103.3170172.163.10000112D511 L512 L513S509-D511 PolarHBondContact OG-OD1 3.34Å; S509-L512 WeakPolarHBondContact OG-CB 3.41Å; S509-L512 WeakPolarHBondContact OG-CD1 3.44Å; S509-L512 VanDerWaalsContact OG-CG 3.26Å; S509-L512 WeakPolarHBondContact OG-CG 3.47Å; S509-L513 WeakPolarHBondContact O-CB 3.41Å; S509-L513 PolarHBondContact O-N 2.9Å
510V93.8Very high91.7Very high3 Ų328.3 Ų28.32%0.01814%0.135CC..Hα-helixtrans-60-50.4-176.6171.80000112.9V453 L512 L513 L514 M542 L546 D549 L553V453-V510 HydrophobicContact CG1-CG2 3.87Å; V510-L512 VanDerWaalsContact C-N 3.34Å; V510-L512 PolarHBondContact O-N 3.03Å; V510-L513 PolarHBondContact O-N 3.23Å; V510-L514 PolarHBondContact O-N 3.31Å; V510-M542 HydrophobicContact CG2-CB 3.99Å; V510-M542 HydrophobicContact CG2-CG 3.91Å; V510-M542 HydrophobicContact CG2-SD 3.79Å; V510-L546 HydrophobicContact CB-CD1 4.35Å; V510-D549 HydrophobicContact CG1-CB 4.12Å; V510-L553 HydrophobicContact CB-CD2 4.45Å; V510-L553 HydrophobicContact CG1-CB 4.26Å; V510-L553 HydrophobicContact CG1-CD2 4.07Å; V510-L553 HydrophobicContact CG2-CD2 4.22Å
511D91Very high90.6Very high35 Ų3527.9 Ų27.919%0.18715%0.145CC..Hα-helixtrans-65.5-40.1-176.863.7-45.6000111.9K489 S509 L514 Q515 L546K489-D511 WeakPolarHBondContact CE-OD2 3.14Å; K489-D511 IonicContact NZ-OD2 2.85Å; K489-D511 PolarHBondContact NZ-OD2 2.7Å; S509-D511 PolarHBondContact OG-OD1 3.34Å; D511-L514 PolarHBondContact O-N 2.86Å; D511-Q515 PolarHBondContact O-N 3.45Å; D511-L546 HydrophobicContact CB-CD1 3.92Å
512L93.8Very high89.4Confident5 Ų527.4 Ų27.43%0.02615%0.153CC..Hα-helixtrans-70.1-38.5178.5-70.9-172.7000112.6H486 W487 K489 T508 S509 V510 Q515 L516H486-L512 WeakPolarHBondContact ND1-CB 3.47Å; H486-L512 WeakPolarHBondContact O-CD1 3.24Å; W487-L512 VanDerWaalsContact C-CD1 3.41Å; W487-L512 VanDerWaalsContact CA-CD1 3.42Å; K489-L512 HydrophobicContact CB-CD2 4.46Å; K489-L512 HydrophobicContact CD-CD2 4.36Å; K489-L512 HydrophobicContact CG-CD2 3.42Å; K489-L512 VanDerWaalsContact CG-CD2 3.42Å; T508-L512 WeakPolarHBondContact OG1-CB 3.46Å; S509-L512 WeakPolarHBondContact OG-CB 3.41Å; S509-L512 WeakPolarHBondContact OG-CD1 3.44Å; S509-L512 VanDerWaalsContact OG-CG 3.26Å; S509-L512 WeakPolarHBondContact OG-CG 3.47Å; V510-L512 VanDerWaalsContact C-N 3.34Å; V510-L512 PolarHBondContact O-N 3.03Å; L512-Q515 PolarHBondContact O-N 3.05Å; L512-L516 WeakPolarHBondContact O-CG 3.27Å; L512-L516 PolarHBondContact O-N 3.29Å; L512-L516 VanDerWaalsContact O-N 3.12Å
513L94.6Very high88.3Confident2 Ų229 Ų291%0.0117%0.169CC..Hα-helixtrans-63.9-47.8171.2179.757.1000110.8I451 V453 T508 S509 V510 Q515 L516 L517 L553I451-L513 HydrophobicContact CG2-CD1 4.09Å; I451-L513 HydrophobicContact CG2-CD2 3.88Å; V453-L513 HydrophobicContact CG2-CD2 3.57Å; T508-L513 HydrophobicContact CG2-CB 3.83Å; T508-L513 HydrophobicContact CG2-CD1 4.5Å; S509-L513 WeakPolarHBondContact O-CB 3.41Å; S509-L513 PolarHBondContact O-N 2.9Å; V510-L513 PolarHBondContact O-N 3.23Å; L513-Q515 PolarHBondContact O-N 3.32Å; L513-L516 WeakPolarHBondContact O-CA 3.4Å; L513-L516 WeakPolarHBondContact O-CB 3.38Å; L513-L516 PolarHBondContact O-N 2.93Å; L513-L517 HydrophobicContact CD1-CD2 4.15Å; L513-L517 HydrophobicContact CD1-CG 4.12Å; L513-L517 HydrophobicContact CG-CD1 4.2Å; L513-L517 HydrophobicContact CG-CG 4.22Å; L513-L517 WeakPolarHBondContact O-CG 3.35Å; L513-L517 PolarHBondContact O-N 3.5Å; L513-L553 HydrophobicContact CD2-CD1 3.72Å; L513-L553 HydrophobicContact CD2-CD2 4.08Å; L513-L553 HydrophobicContact CG-CD1 4.09Å
514L91.8Very high87.5Confident12 Ų1231.5 Ų31.56%0.06319%0.187CC..Hα-helixtrans-56.9-40.3177-83.3179.6000112.5V510 D511 L517 N518 D549 K552 L553V510-L514 PolarHBondContact O-N 3.31Å; D511-L514 PolarHBondContact O-N 2.86Å; L514-L517 PolarHBondContact O-N 2.84Å; L514-N518 WeakPolarHBondContact O-CB 3.35Å; L514-N518 PolarHBondContact O-N 2.94Å; L514-N518 PolarHBondContact O-ND2 3.42Å; L514-D549 HydrophobicContact CD1-CB 3.77Å; L514-D549 VanDerWaalsContact CD1-O 3.25Å; L514-D549 WeakPolarHBondContact CD1-O 3.26Å; L514-K552 HydrophobicContact CD1-CB 4.13Å; L514-K552 HydrophobicContact CD2-CB 4.48Å; L514-L553 HydrophobicContact CD1-CB 4.45Å; L514-L553 HydrophobicContact CD2-CB 4.01Å; L514-L553 HydrophobicContact CD2-CD1 4.16Å; L514-L553 HydrophobicContact CG-CB 4.11Å; L514-L553 HydrophobicContact CG-CD1 4.44Å
515Q90.2Very high86.9Confident48 Ų4831.7 Ų31.722%0.22419%0.188CC..Hα-helixtrans-58.5-48.6174.1-171.6174.910.500110.8L492 D511 L512 L513 L517 N518 H519L492-Q515 HydrophobicContact CD1-CG 4.17Å; L492-Q515 HydrophobicContact CD2-CG 4.23Å; D511-Q515 PolarHBondContact O-N 3.45Å; L512-Q515 PolarHBondContact O-N 3.05Å; L513-Q515 PolarHBondContact O-N 3.32Å; Q515-L517 PolarHBondContact O-N 2.65Å; Q515-N518 PolarHBondContact O-N 2.97Å; Q515-H519 PolarHBondContact O-CD2 3.27Å; Q515-H519 PolarHBondContact O-N 2.95Å; Q515-H519 VanDerWaalsContact O-N 3.16Å
516L91.1Very high86.4Confident0 Ų031.7 Ų31.70%019%0.188CC..Hα-helixtrans-60.2-42.9175.9-70.7169.2000112.5L492 I495 V496 L499 L506 L512 L513 N518 H519 N520L492-L516 HydrophobicContact CD1-CD2 3.58Å; L492-L516 HydrophobicContact CD1-CG 4.24Å; I495-L516 HydrophobicContact CG2-CD1 4.27Å; I495-L516 HydrophobicContact CG2-CD2 4.14Å; V496-L516 HydrophobicContact CG2-CD2 3.96Å; L499-L516 HydrophobicContact CD1-CD1 4.35Å; L499-L516 HydrophobicContact CD1-CD2 4.42Å; L506-L516 HydrophobicContact CD2-CD1 4Å; L512-L516 WeakPolarHBondContact O-CG 3.27Å; L512-L516 PolarHBondContact O-N 3.29Å; L512-L516 VanDerWaalsContact O-N 3.12Å; L513-L516 WeakPolarHBondContact O-CA 3.4Å; L513-L516 WeakPolarHBondContact O-CB 3.38Å; L513-L516 PolarHBondContact O-N 2.93Å; L516-N518 PolarHBondContact O-N 2.95Å; L516-H519 PolarHBondContact O-N 3.03Å; L516-N520 PolarHBondContact O-N 3.28Å
517L88.4Confident85.9Confident3 Ų335.3 Ų35.32%0.01621%0.207CC..Hα-helixtrans-64.3-39.8178.8-62.4-177.1000111.9L513 L514 Q515 H519 N520 F526 L553 M560L513-L517 HydrophobicContact CD1-CD2 4.15Å; L513-L517 HydrophobicContact CD1-CG 4.12Å; L513-L517 HydrophobicContact CG-CD1 4.2Å; L513-L517 HydrophobicContact CG-CG 4.22Å; L513-L517 WeakPolarHBondContact O-CG 3.35Å; L513-L517 PolarHBondContact O-N 3.5Å; L514-L517 PolarHBondContact O-N 2.84Å; Q515-L517 PolarHBondContact O-N 2.65Å; L517-H519 VanDerWaalsContact C-N 3.28Å; L517-H519 PolarHBondContact O-N 2.86Å; L517-N520 PolarHBondContact O-N 3.27Å; L517-N520 VanDerWaalsContact O-N 3.1Å; L517-F526 HydrophobicContact CD2-CE1 4.22Å; L517-F526 HydrophobicContact CD2-CZ 3.61Å; L517-L553 HydrophobicContact CD1-CD1 3.8Å; L517-M560 HydrophobicContact CB-SD 4.11Å; L517-M560 HydrophobicContact CD1-SD 4.05Å; L517-M560 HydrophobicContact CD2-CE 3.74Å; L517-M560 HydrophobicContact CD2-SD 3.78Å; L517-M560 HydrophobicContact CG-SD 4.17Å
518N85.7Confident85.4Confident97 Ų9736.3 Ų36.352%0.51922%0.215SC..Hα-helixtrans-68.1-28.9178.4-70.1-23.2000112.7L514 Q515 L516 N520 R556L514-N518 WeakPolarHBondContact O-CB 3.35Å; L514-N518 PolarHBondContact O-N 2.94Å; L514-N518 PolarHBondContact O-ND2 3.42Å; Q515-N518 PolarHBondContact O-N 2.97Å; L516-N518 PolarHBondContact O-N 2.95Å; N518-N520 VanDerWaalsContact C-N 3.28Å; N518-R556 PolarHBondContact OD1-NH2 2.82Å
519H82.6Confident84.9Confident105 Ų10540.4 Ų40.449%0.48623%0.234SC..THydrogen-bonded Turntrans-84.64.5173.2-72.1-71.1000113.8Q515 L516 L517 P521 I525Q515-H519 PolarHBondContact O-CD2 3.27Å; Q515-H519 PolarHBondContact O-N 2.95Å; Q515-H519 VanDerWaalsContact O-N 3.16Å; L516-H519 PolarHBondContact O-N 3.03Å; L517-H519 VanDerWaalsContact C-N 3.28Å; L517-H519 PolarHBondContact O-N 2.86Å; H519-P521 WeakPolarHBondContact O-CD 3.32Å; H519-I525 VanDerWaalsContact C-CD1 3.47Å; H519-I525 HydrophobicContact CB-CD1 3.73Å; H519-I525 WeakPolarHBondContact O-CD1 3.47Å
520N77.5Confident84.7Confident10 Ų1040.5 Ų40.55%0.05324%0.236CC..  trans-112.552.3-178.4-162.728.1000114.8L516 L517 N518 V522 G523 S524 I525 F526L516-N520 PolarHBondContact O-N 3.28Å; L517-N520 PolarHBondContact O-N 3.27Å; L517-N520 VanDerWaalsContact O-N 3.1Å; N518-N520 VanDerWaalsContact C-N 3.28Å; N520-V522 VanDerWaalsContact C-N 3.29Å; N520-V522 PolarHBondContact O-N 2.94Å; N520-G523 WeakPolarHBondContact OD1-CA 3.42Å; N520-G523 PolarHBondContact OD1-N 3.2Å; N520-S524 PolarHBondContact OD1-N 3.43Å; N520-I525 HydrophobicContact CB-CB 4.27Å; N520-I525 HydrophobicContact CB-CD1 4.06Å; N520-I525 HydrophobicContact CB-CG1 4.26Å; N520-I525 PolarHBondContact OD1-N 2.99Å; N520-F526 PolarHBondContact ND2-O 2.84Å; N520-F526 VanDerWaalsContact ND2-O 3.14Å
521P65.7Low84.7Confident111 Ų11140.4 Ų40.472%0.72124%0.235SC*.THydrogen-bonded Turntrans-67.6-19.4-171.926.2-33.9000115.3H519H519-P521 WeakPolarHBondContact O-CD 3.32Å
522V65Low84.9Confident131 Ų13142.7 Ų42.779%0.79424%0.244SC*.THydrogen-bonded Turntrans-133.426.3-177.3-157.80000112.1N520 S524N520-V522 VanDerWaalsContact C-N 3.29Å; N520-V522 PolarHBondContact O-N 2.94Å; V522-S524 PolarHBondContact O-N 2.78Å
523G70.4Confident84.9Confident33 Ų3342.9 Ų42.934%0.3425%0.245SC..SBendtrans64.422.2-172.900000113.3N520 I525 F526N520-G523 WeakPolarHBondContact OD1-CA 3.42Å; N520-G523 PolarHBondContact OD1-N 3.2Å; G523-I525 VanDerWaalsContact C-N 3.28Å; G523-I525 PolarHBondContact O-N 2.78Å; G523-F526 WeakPolarHBondContact CA-O 3.46Å
524S76.1Confident85.1Confident54 Ų5442.8 Ų42.838%0.37825%0.245SC..SBendtrans-64.9-31.3-177.7540000112.9N520 V522N520-S524 PolarHBondContact OD1-N 3.43Å; V522-S524 PolarHBondContact O-N 2.78Å
525I82.4Confident85.3Confident5 Ų542.2 Ų42.23%0.02624%0.242CC..SBendtrans-89.3-50.5178.4-55.6177.4000109.8V496 L499 H519 N520 G523V496-I525 HydrophobicContact CG1-CD1 4.37Å; V496-I525 HydrophobicContact CG1-CG1 4.09Å; V496-I525 HydrophobicContact CG1-CG2 4.38Å; V496-I525 HydrophobicContact CG2-CD1 3.88Å; V496-I525 HydrophobicContact CG2-CG1 4.43Å; V496-I525 HydrophobicContact CG2-CG2 4.35Å; L499-I525 CarbonylContact C-O 3.6Å; L499-I525 HydrophobicContact CB-CG2 3.86Å; L499-I525 HydrophobicContact CD1-CG2 4.05Å; H519-I525 VanDerWaalsContact C-CD1 3.47Å; H519-I525 HydrophobicContact CB-CD1 3.73Å; H519-I525 WeakPolarHBondContact O-CD1 3.47Å; N520-I525 HydrophobicContact CB-CB 4.27Å; N520-I525 HydrophobicContact CB-CD1 4.06Å; N520-I525 HydrophobicContact CB-CG1 4.26Å; N520-I525 PolarHBondContact OD1-N 2.99Å; G523-I525 VanDerWaalsContact C-N 3.28Å; G523-I525 PolarHBondContact O-N 2.78Å
526F85.6Confident85.7Confident0 Ų040 Ų400%023%0.232CC..  trans-151.9153.7176.964.6-94.9000113I451 L517 N520 G523 V531 F561I451-F526 HydrophobicContact CD1-CE2 4.26Å; I451-F526 HydrophobicContact CD1-CZ 4.21Å; L517-F526 HydrophobicContact CD2-CE1 4.22Å; L517-F526 HydrophobicContact CD2-CZ 3.61Å; N520-F526 PolarHBondContact ND2-O 2.84Å; N520-F526 VanDerWaalsContact ND2-O 3.14Å; G523-F526 WeakPolarHBondContact CA-O 3.46Å; F526-V531 HydrophobicContact CD2-CG2 4.25Å; F526-V531 HydrophobicContact CE2-CG2 4.27Å; F526-F561 HydrophobicContact CE2-CE1 4.18Å; F526-F561 HydrophobicContact CE2-CZ 4.02Å; F526-F561 HydrophobicContact CZ-CZ 4.39Å
527D88Confident85.9Confident76 Ų7640.1 Ų40.141%0.40623%0.232SC..  trans-83.5118.6175175.114.1000110.7R446 Q529 A530R446-D527 PolarHBondContact O-N 3.31Å; D527-Q529 VanDerWaalsContact C-N 3.29Å; D527-Q529 PolarHBondContact O-N 3.23Å; D527-Q529 WeakPolarHBondContact OD1-CB 3.34Å; D527-Q529 PolarHBondContact OD1-N 2.92Å; D527-A530 HydrophobicContact CB-CB 4.01Å; D527-A530 VanDerWaalsContact O-CB 3.28Å; D527-A530 WeakPolarHBondContact O-CB 3.36Å; D527-A530 PolarHBondContact O-N 3.44Å
528A87.3Confident86.1Confident21 Ų2140.6 Ų40.617%0.17424%0.235CC..THydrogen-bonded Turntrans-67.2-27.2179.600000113.2A530 V531 M560 F561A528-A530 PolarHBondContact O-N 3.11Å; A528-V531 PolarHBondContact O-N 3.25Å; A528-M560 VanDerWaalsContact CB-O 3.27Å; A528-M560 WeakPolarHBondContact CB-O 3.17Å; A528-F561 HydrophobicContact CB-CD1 4.03Å; A528-F561 HydrophobicContact CB-CE1 3.91Å
529Q88.2Confident86.6Confident86 Ų8636 Ų3640%0.40221%0.21SC..THydrogen-bonded Turntrans-71.7-21.6176.5-64-60.3-41.300112.5D527 K532D527-Q529 VanDerWaalsContact C-N 3.29Å; D527-Q529 PolarHBondContact O-N 3.23Å; D527-Q529 WeakPolarHBondContact OD1-CB 3.34Å; D527-Q529 PolarHBondContact OD1-N 2.92Å; Q529-K532 PolarHBondContact O-NZ 3.01Å
530A89.9Confident86.9Confident13 Ų1332 Ų3211%0.10719%0.192CC..THydrogen-bonded Turntrans-74.8-31.3177.300000110.7R441 D527 A528 K532R441-A530 PolarHBondContact NH2-O 3.26Å; D527-A530 HydrophobicContact CB-CB 4.01Å; D527-A530 VanDerWaalsContact O-CB 3.28Å; D527-A530 WeakPolarHBondContact O-CB 3.36Å; D527-A530 PolarHBondContact O-N 3.44Å; A528-A530 PolarHBondContact O-N 3.11Å; A530-K532 WeakPolarHBondContact O-CG 3.37Å; A530-K532 PolarHBondContact O-N 3.46Å
531V93.7Very high87.4Confident2 Ų231.7 Ų31.71%0.01219%0.191CC..  trans-67.4118177.2-176.90000110.3P448 T449 I451 F526 A528 I534 F561P448-V531 HydrophobicContact CG-CG2 4.31Å; P448-V531 WeakPolarHBondContact O-CG2 3.24Å; T449-V531 CarbonylContact O-C 3.21Å; T449-V531 WeakPolarHBondContact O-CA 3.41Å; I451-V531 HydrophobicContact CD1-CG1 4.22Å; I451-V531 HydrophobicContact CD1-CG2 4.17Å; I451-V531 HydrophobicContact CG1-CG1 4.16Å; I451-V531 HydrophobicContact CG1-CG2 4.44Å; F526-V531 HydrophobicContact CD2-CG2 4.25Å; F526-V531 HydrophobicContact CE2-CG2 4.27Å; A528-V531 PolarHBondContact O-N 3.25Å; V531-I534 HydrophobicContact CG1-CG1 4.03Å; V531-F561 HydrophobicContact CB-CD1 4.13Å; V531-F561 HydrophobicContact CB-CE1 3.84Å; V531-F561 HydrophobicContact CG1-CD1 4.35Å; V531-F561 HydrophobicContact CG1-CE1 4.09Å; V531-F561 HydrophobicContact CG2-CE1 3.83Å
532K94.3Very high88.5Confident82 Ų8226.5 Ų26.536%0.35716%0.157SC..  trans-102.8-15.7-178.9-57.8-49.7-178-166.40113.6T449 Q529 A530 K567 C568 Q569T449-K532 HydrophobicContact CG2-CB 4.25Å; T449-K532 HydrophobicContact CG2-CG 4.11Å; T449-K532 PolarHBondContact O-N 3.41Å; Q529-K532 PolarHBondContact O-NZ 3.01Å; A530-K532 WeakPolarHBondContact O-CG 3.37Å; A530-K532 PolarHBondContact O-N 3.46Å; K532-K567 WeakPolarHBondContact CD-O 3.45Å; K532-C568 CarbonylContact O-C 3.58Å; K532-C568 WeakPolarHBondContact O-CA 2.86Å; K532-Q569 PolarHBondContact O-N 3.17Å
533C95.3Very high89.6Confident10 Ų1021.2 Ų21.27%0.06813%0.125CC..EExtended strand (participates in β ladder)trans-149.2138.6-176.8-179.30000111.7T449 C450 I451 Q569 L571T449-C533 PolarHBondContact O-N 2.97Å; C450-C533 VanDerWaalsContact CA-O 3.29Å; C450-C533 WeakPolarHBondContact CA-O 3.46Å; C450-C533 HydrophobicContact CB-CB 4.21Å; C450-C533 PolarHBondContact SG-O 3.5Å; I451-C533 PolarHBondContact N-O 3.05Å; C533-Q569 CarbonylContact C-O 3.54Å; C533-Q569 WeakPolarHBondContact CA-O 3.33Å; C533-L571 WeakPolarHBondContact SG-CD1 3.49Å
534I97.1Very high89.9Confident0 Ų026.9 Ų26.90%014%0.136CC..EExtended strand (participates in β ladder)trans-125.2125.4169.3-60.1177.2000108I451 V531 L536 L557 F561 L563 Q569 L570 L571I451-I534 HydrophobicContact CB-CG1 4.4Å; I451-I534 CarbonylContact O-C 3.54Å; I451-I534 VanDerWaalsContact O-CA 3.3Å; I451-I534 WeakPolarHBondContact O-CA 3.47Å; V531-I534 HydrophobicContact CG1-CG1 4.03Å; I534-L536 HydrophobicContact CG2-CD2 4.18Å; I534-L557 HydrophobicContact CD1-CD2 3.93Å; I534-F561 HydrophobicContact CD1-CB 4.23Å; I534-F561 HydrophobicContact CD1-CD1 4.08Å; I534-F561 HydrophobicContact CD1-CD2 3.45Å; I534-F561 VanDerWaalsContact CD1-CD2 3.45Å; I534-F561 HydrophobicContact CD1-CE1 4.31Å; I534-F561 HydrophobicContact CD1-CE2 3.72Å; I534-F561 HydrophobicContact CD1-CG 3.65Å; I534-F561 HydrophobicContact CD1-CZ 4.14Å; I534-L563 HydrophobicContact CD1-CD2 4.33Å; I534-Q569 PolarHBondContact N-O 2.82Å; I534-L570 HydrophobicContact CB-CD1 4.01Å; I534-L570 HydrophobicContact CG2-CD1 3.99Å; I534-L570 CarbonylContact O-C 3.54Å; I534-L570 WeakPolarHBondContact O-CA 3.16Å; I534-L571 PolarHBondContact O-N 2.8Å
535A97.8Very high90Very high0 Ų027.4 Ų27.40%014%0.136CC..EExtended strand (participates in β ladder)trans-112.7124.7175.800000110.8Y426 I451 F452 V453 L571Y426-A535 HydrophobicContact CE2-CB 4.28Å; I451-A535 PolarHBondContact O-N 3.2Å; F452-A535 HydrophobicContact CD1-CB 4.44Å; F452-A535 HydrophobicContact CD2-CB 3.54Å; F452-A535 HydrophobicContact CE2-CB 3.71Å; F452-A535 HydrophobicContact CG-CB 3.95Å; F452-A535 HydrophobicContact CZ-CB 4.22Å; V453-A535 PolarHBondContact N-O 3.47Å; A535-L571 CarbonylContact C-O 3.54Å; A535-L571 VanDerWaalsContact CA-O 3.32Å; A535-L571 WeakPolarHBondContact CA-O 3.13Å; A535-L571 HydrophobicContact CB-CB 4.16Å; A535-L571 HydrophobicContact CB-CD1 4.34Å
536L97.6Very high90Very high2 Ų229 Ų291%0.0115%0.145CC..EExtended strand (participates in β ladder)trans-11088.8172.9-54.3-179.1000108.2V453 I534 L539 L554 L557 L570 L571 V572 S573V453-L536 HydrophobicContact CB-CD2 3.92Å; V453-L536 HydrophobicContact CG2-CD2 3.88Å; I534-L536 HydrophobicContact CG2-CD2 4.18Å; L536-L539 HydrophobicContact CD1-CD1 4.46Å; L536-L554 HydrophobicContact CD1-CD2 3.75Å; L536-L557 HydrophobicContact CD1-CD1 4.26Å; L536-L570 HydrophobicContact CD1-CD1 4.27Å; L536-L570 HydrophobicContact CG-CD1 4.26Å; L536-L571 PolarHBondContact N-O 2.93Å; L536-V572 HydrophobicContact CB-CG2 4.42Å; L536-V572 HydrophobicContact CD1-CG2 4.42Å; L536-S573 PolarHBondContact O-N 3.37Å
537D96.1Very high89.8Confident1 Ų130.6 Ų30.61%0.00516%0.155CC..THydrogen-bonded Turntrans-86.7126.6-175.7-165.625.3000111.6T423 Y426 F452 V453 P455 I463 M542 S573T423-D537 WeakPolarHBondContact CG2-OD2 3.46Å; T423-D537 PolarHBondContact OG1-OD1 2.98Å; T423-D537 PolarHBondContact OG1-OD2 2.99Å; Y426-D537 WeakPolarHBondContact OH-CB 3.38Å; Y426-D537 VanDerWaalsContact OH-CG 3.22Å; Y426-D537 PolarHBondContact OH-OD1 2.87Å; F452-D537 HydrophobicContact CE1-CB 3.59Å; F452-D537 HydrophobicContact CZ-CB 3.93Å; V453-D537 PolarHBondContact O-N 2.85Å; P455-D537 WeakPolarHBondContact CD-O 3.17Å; I463-D537 WeakPolarHBondContact CD1-OD2 3.38Å; D537-M542 WeakPolarHBondContact O-CE 3.28Å; D537-S573 WeakPolarHBondContact OD1-CB 3.26Å; D537-S573 PolarHBondContact OD1-OG 3.35Å
538N92.9Very high89.4Confident13 Ų1329.3 Ų29.37%0.0715%0.149CC..THydrogen-bonded Turntrans57.852.3-174-61.4-45000113.6P455 Q459 N540 D541 M542 S573P455-N538 HydrophobicContact CG-CB 3.82Å; Q459-N538 PolarHBondContact OE1-ND2 3Å; N538-N540 PolarHBondContact O-N 2.91Å; N538-N540 VanDerWaalsContact O-N 3.12Å; N538-D541 HydrophobicContact CB-CB 4.26Å; N538-D541 WeakPolarHBondContact O-CB 3.17Å; N538-D541 PolarHBondContact O-N 3.23Å; N538-M542 PolarHBondContact O-N 3.14Å; N538-S573 CarbonylContact C-O 3.55Å; N538-S573 VanDerWaalsContact CA-O 3.26Å; N538-S573 WeakPolarHBondContact CA-O 3.45Å; N538-S573 PolarHBondContact N-O 3.12Å; N538-S573 VanDerWaalsContact N-O 3.1Å; N538-S573 PolarHBondContact N-OG 2.83Å
539L94.4Very high89.4Confident1 Ų130.6 Ų30.61%0.00515%0.152CC..Hα-helixtrans-49.9-38.8179.4179.265.2000113.6L536 D541 M542 V543 T550 V572 S573 L581 M582 I586L536-L539 HydrophobicContact CD1-CD1 4.46Å; L539-D541 VanDerWaalsContact C-N 3.26Å; L539-D541 PolarHBondContact O-N 3.43Å; L539-M542 HydrophobicContact CD1-SD 4.12Å; L539-M542 WeakPolarHBondContact O-CB 3.36Å; L539-M542 PolarHBondContact O-N 2.87Å; L539-M542 VanDerWaalsContact O-N 3.12Å; L539-V543 HydrophobicContact CD1-CG2 4.37Å; L539-V543 PolarHBondContact O-N 3.01Å; L539-T550 HydrophobicContact CD1-CG2 3.91Å; L539-V572 HydrophobicContact CB-CG1 4.09Å; L539-V572 HydrophobicContact CD2-CG1 3.84Å; L539-S573 PolarHBondContact N-O 2.87Å; L539-L581 HydrophobicContact CD2-CD2 3.95Å; L539-L581 HydrophobicContact CD2-CG 4.31Å; L539-L581 HydrophobicContact CG-CD2 4.16Å; L539-M582 HydrophobicContact CD2-CE 4.11Å; L539-M582 HydrophobicContact CD2-SD 4.41Å; L539-I586 HydrophobicContact CD2-CD1 3.5Å; L539-I586 HydrophobicContact CD2-CG1 3.62Å
540N89.8Confident89.5Confident20 Ų2026.6 Ų26.611%0.10713%0.134CC..Hα-helixtrans-61.5-35.2177.5-56.1101.7000112.6N538 R544 G574 R575 I576N538-N540 PolarHBondContact O-N 2.91Å; N538-N540 VanDerWaalsContact O-N 3.12Å; N540-R544 WeakPolarHBondContact O-CB 3.49Å; N540-R544 PolarHBondContact O-N 2.67Å; N540-G574 WeakPolarHBondContact OD1-CA 3.23Å; N540-R575 PolarHBondContact OD1-N 3.28Å; N540-I576 PolarHBondContact ND2-O 3.01Å; N540-I576 PolarHBondContact OD1-N 3.28Å; N540-I576 VanDerWaalsContact OD1-N 3.14Å; N540-I576 PolarHBondContact OD1-O 3.44Å
541D87.3Confident89.5Confident4 Ų428.2 Ų28.22%0.02114%0.14CC..Hα-helixtrans-72.3-34.7176.8-73.6-25.7000110.1P455 N538 L539 R544 V545 R575P455-D541 HydrophobicContact CB-CB 3.83Å; P455-D541 HydrophobicContact CG-CB 3.59Å; N538-D541 HydrophobicContact CB-CB 4.26Å; N538-D541 WeakPolarHBondContact O-CB 3.17Å; N538-D541 PolarHBondContact O-N 3.23Å; L539-D541 VanDerWaalsContact C-N 3.26Å; L539-D541 PolarHBondContact O-N 3.43Å; D541-R544 PolarHBondContact O-N 3.38Å; D541-R544 IonicContact OD1-CZ 2.64Å; D541-R544 IonicContact OD1-NH1 3.21Å; D541-R544 PolarHBondContact OD1-NH1 3.37Å; D541-R544 IonicContact OD1-NH2 3.36Å; D541-R544 PolarHBondContact OD1-NH2 2.68Å; D541-V545 VanDerWaalsContact O-CG2 3.26Å; D541-V545 WeakPolarHBondContact O-CG2 3.34Å; D541-V545 PolarHBondContact O-N 3.2Å; D541-R575 IonicContact OD1-NH2 2.78Å; D541-R575 IonicContact OD2-CZ 3.97Å; D541-R575 IonicContact OD2-NE 3.58Å; D541-R575 PolarHBondContact OD2-NE 3.11Å; D541-R575 IonicContact OD2-NH2 2.73Å; D541-R575 PolarHBondContact OD2-NH2 2.86Å
542M89.8Confident89.4Confident3 Ų333.1 Ų33.12%0.01516%0.161CC..Hα-helixtrans-61.7-48.8172.2-61.2172-175.800111.7V453 C454 P455 V510 D537 N538 L539 R544 V545 L546 T550V453-M542 HydrophobicContact CB-CE 3.98Å; V453-M542 HydrophobicContact CG1-CE 3.87Å; V453-M542 HydrophobicContact CG1-SD 4.34Å; V453-M542 WeakPolarHBondContact O-CE 3.42Å; C454-M542 VanDerWaalsContact CA-CE 3.47Å; P455-M542 HydrophobicContact CB-CG 4.24Å; P455-M542 HydrophobicContact CG-CG 4.08Å; V510-M542 HydrophobicContact CG2-CB 3.99Å; V510-M542 HydrophobicContact CG2-CG 3.91Å; V510-M542 HydrophobicContact CG2-SD 3.79Å; D537-M542 WeakPolarHBondContact O-CE 3.28Å; N538-M542 PolarHBondContact O-N 3.14Å; L539-M542 HydrophobicContact CD1-SD 4.12Å; L539-M542 WeakPolarHBondContact O-CB 3.36Å; L539-M542 PolarHBondContact O-N 2.87Å; L539-M542 VanDerWaalsContact O-N 3.12Å; M542-R544 PolarHBondContact O-N 2.85Å; M542-V545 PolarHBondContact O-N 3.44Å; M542-L546 CarbonylContact O-C 3.49Å; M542-L546 PolarHBondContact O-N 3.41Å; M542-T550 HydrophobicContact CB-CG2 4.08Å; M542-T550 PolarHBondContact O-OG1 3.28Å
543V86.8Confident89.4Confident19 Ų1929.3 Ų29.312%0.11514%0.144CC..Hα-helixtrans-65.1-30177.6175.60000111.5L539 P547 T550 L581L539-V543 HydrophobicContact CD1-CG2 4.37Å; L539-V543 PolarHBondContact O-N 3.01Å; V543-P547 VanDerWaalsContact O-CA 3.25Å; V543-P547 WeakPolarHBondContact O-CA 3.34Å; V543-P547 VanDerWaalsContact O-CB 3.25Å; V543-P547 WeakPolarHBondContact O-CB 3.48Å; V543-P547 WeakPolarHBondContact O-CD 3.43Å; V543-T550 HydrophobicContact CG2-CG2 3.61Å; V543-L581 HydrophobicContact CG2-CD1 4.2Å; V543-L581 HydrophobicContact CG2-CD2 3.77Å
544R78.5Confident89.3Confident153 Ų15329.1 Ų29.158%0.57714%0.143SC*.Hα-helixtrans-69.7-41.9174.5-173.2-179.570.3-130.2-10.9112.3N540 D541 M542N540-R544 WeakPolarHBondContact O-CB 3.49Å; N540-R544 PolarHBondContact O-N 2.67Å; D541-R544 PolarHBondContact O-N 3.38Å; D541-R544 IonicContact OD1-CZ 2.64Å; D541-R544 IonicContact OD1-NH1 3.21Å; D541-R544 PolarHBondContact OD1-NH1 3.37Å; D541-R544 IonicContact OD1-NH2 3.36Å; D541-R544 PolarHBondContact OD1-NH2 2.68Å; M542-R544 PolarHBondContact O-N 2.85Å
545V77.4Confident89Confident64 Ų6434.5 Ų34.539%0.38817%0.168SC..Hα-helixtrans-86.3-39.3-173-179.40000111.9D541 M542D541-V545 VanDerWaalsContact O-CG2 3.26Å; D541-V545 WeakPolarHBondContact O-CG2 3.34Å; D541-V545 PolarHBondContact O-N 3.2Å; M542-V545 PolarHBondContact O-N 3.44Å
546L81.4Confident88.7Confident39 Ų3938.2 Ų38.220%0.20418%0.182CC..  trans-137.563-177-65.2174000110.6V510 D511 M542 N548 D549 T550 D967V510-L546 HydrophobicContact CB-CD1 4.35Å; D511-L546 HydrophobicContact CB-CD1 3.92Å; M542-L546 CarbonylContact O-C 3.49Å; M542-L546 PolarHBondContact O-N 3.41Å; L546-N548 PolarHBondContact O-N 2.96Å; L546-D549 HydrophobicContact CB-CB 4.35Å; L546-D549 PolarHBondContact O-N 3.35Å; L546-T550 VanDerWaalsContact O-CB 3.23Å; L546-T550 WeakPolarHBondContact O-CB 3.33Å; L546-T550 PolarHBondContact O-N 3.23Å; L546-T550 PolarHBondContact O-OG1 3.33Å; L546-D967 HydrophobicContact CD2-CB 4.43Å
547P81.8Confident88.4Confident33 Ų3338.2 Ų38.221%0.21418%0.182CC..Hα-helixtrans-51.4-53.2-17817.9-32.3000112.9V543 D549 T550 M551 D967V543-P547 VanDerWaalsContact O-CA 3.25Å; V543-P547 WeakPolarHBondContact O-CA 3.34Å; V543-P547 VanDerWaalsContact O-CB 3.25Å; V543-P547 WeakPolarHBondContact O-CB 3.48Å; V543-P547 WeakPolarHBondContact O-CD 3.43Å; P547-D549 PolarHBondContact O-N 2.8Å; P547-T550 PolarHBondContact O-N 3.12Å; P547-M551 VanDerWaalsContact O-CG 3.3Å; P547-M551 WeakPolarHBondContact O-CG 3.29Å; P547-M551 PolarHBondContact O-N 2.8Å; P547-D967 WeakPolarHBondContact CD-OD2 3.32Å; P547-D967 WeakPolarHBondContact CG-OD2 3.4Å
548N80.9Confident88.1Confident50 Ų5041.3 Ų41.327%0.26720%0.202SC..Hα-helixtrans-64.8-45.6-174.4-70.2-46.1000112.6L546 M551 K552 L971L546-N548 PolarHBondContact O-N 2.96Å; N548-M551 PolarHBondContact O-N 3.1Å; N548-K552 WeakPolarHBondContact O-CG 3.35Å; N548-K552 PolarHBondContact O-N 3.12Å; N548-L971 WeakPolarHBondContact ND2-CD1 3.45Å
549D86.7Confident87.9Confident47 Ų4746.8 Ų46.825%0.25123%0.227SC..Hα-helixtrans-72.1-34.2-179.6-71.7-12.4000111V510 L514 L546 P547 M551 K552 L553V510-D549 HydrophobicContact CG1-CB 4.12Å; L514-D549 HydrophobicContact CD1-CB 3.77Å; L514-D549 VanDerWaalsContact CD1-O 3.25Å; L514-D549 WeakPolarHBondContact CD1-O 3.26Å; L546-D549 HydrophobicContact CB-CB 4.35Å; L546-D549 PolarHBondContact O-N 3.35Å; P547-D549 PolarHBondContact O-N 2.8Å; D549-M551 PolarHBondContact O-N 2.89Å; D549-K552 PolarHBondContact O-N 2.93Å; D549-K552 IonicContact OD1-NZ 3.53Å; D549-K552 PolarHBondContact OD1-NZ 3.34Å; D549-L553 WeakPolarHBondContact O-CB 3.19Å; D549-L553 PolarHBondContact O-N 3.14Å
550T90.9Very high87.5Confident2 Ų248.7 Ų48.71%0.01224%0.236CC..Hα-helixtrans-62.4-44.3172.4-54.70000110.8L539 M542 V543 L546 P547 L553 L554L539-T550 HydrophobicContact CD1-CG2 3.91Å; M542-T550 HydrophobicContact CB-CG2 4.08Å; M542-T550 PolarHBondContact O-OG1 3.28Å; V543-T550 HydrophobicContact CG2-CG2 3.61Å; L546-T550 VanDerWaalsContact O-CB 3.23Å; L546-T550 WeakPolarHBondContact O-CB 3.33Å; L546-T550 PolarHBondContact O-N 3.23Å; L546-T550 PolarHBondContact O-OG1 3.33Å; P547-T550 PolarHBondContact O-N 3.12Å; T550-L553 WeakPolarHBondContact O-CB 3.42Å; T550-L553 PolarHBondContact O-N 2.95Å; T550-L554 WeakPolarHBondContact O-CG 3.5Å; T550-L554 PolarHBondContact O-N 3.05Å
551M90Very high87.5Confident47 Ų4748 Ų4823%0.23223%0.233CC..Hα-helixtrans-63.2-42.6177-68.9-45-65.400112.6P547 N548 D549 L553 L554 Q555 L581 H585P547-M551 VanDerWaalsContact O-CG 3.3Å; P547-M551 WeakPolarHBondContact O-CG 3.29Å; P547-M551 PolarHBondContact O-N 2.8Å; N548-M551 PolarHBondContact O-N 3.1Å; D549-M551 PolarHBondContact O-N 2.89Å; M551-L553 VanDerWaalsContact C-N 3.33Å; M551-L553 PolarHBondContact O-N 3.18Å; M551-L554 PolarHBondContact O-N 3.13Å; M551-L554 HydrophobicContact SD-CD1 4.27Å; M551-Q555 WeakPolarHBondContact O-CG 3.46Å; M551-Q555 PolarHBondContact O-N 2.94Å; M551-Q555 VanDerWaalsContact O-N 3.09Å; M551-L581 HydrophobicContact SD-CD1 3.93Å; M551-H585 HydrophobicContact CE-CB 4.39Å; M551-H585 WeakPolarHBondContact CE-CD2 3.19Å; M551-H585 VanDerWaalsContact CE-CE1 3.47Å; M551-H585 WeakPolarHBondContact CE-CE1 3.25Å; M551-H585 WeakPolarHBondContact CE-NE2 3.4Å
552K91Very high87.6Confident106 Ų10652.5 Ų52.546%0.46125%0.253SS..Hα-helixtrans-60.1-43173.8-71.4172.3-165.8158.50111.7L514 N548 D549 Q555 R556L514-K552 HydrophobicContact CD1-CB 4.13Å; L514-K552 HydrophobicContact CD2-CB 4.48Å; N548-K552 WeakPolarHBondContact O-CG 3.35Å; N548-K552 PolarHBondContact O-N 3.12Å; D549-K552 PolarHBondContact O-N 2.93Å; D549-K552 IonicContact OD1-NZ 3.53Å; D549-K552 PolarHBondContact OD1-NZ 3.34Å; K552-Q555 PolarHBondContact O-N 2.54Å; K552-R556 WeakPolarHBondContact O-CB 3.29Å; K552-R556 WeakPolarHBondContact O-CG 3.25Å; K552-R556 PolarHBondContact O-N 2.83Å
553L93.3Very high87.6Confident1 Ų153 Ų531%0.00526%0.256CS..Hα-helixtrans-59.7-49.3177.2177.163.5000110.7V510 L513 L514 L517 D549 T550 M551 Q555 R556 L557V510-L553 HydrophobicContact CB-CD2 4.45Å; V510-L553 HydrophobicContact CG1-CB 4.26Å; V510-L553 HydrophobicContact CG1-CD2 4.07Å; V510-L553 HydrophobicContact CG2-CD2 4.22Å; L513-L553 HydrophobicContact CD2-CD1 3.72Å; L513-L553 HydrophobicContact CD2-CD2 4.08Å; L513-L553 HydrophobicContact CG-CD1 4.09Å; L514-L553 HydrophobicContact CD1-CB 4.45Å; L514-L553 HydrophobicContact CD2-CB 4.01Å; L514-L553 HydrophobicContact CD2-CD1 4.16Å; L514-L553 HydrophobicContact CG-CB 4.11Å; L514-L553 HydrophobicContact CG-CD1 4.44Å; L517-L553 HydrophobicContact CD1-CD1 3.8Å; D549-L553 WeakPolarHBondContact O-CB 3.19Å; D549-L553 PolarHBondContact O-N 3.14Å; T550-L553 WeakPolarHBondContact O-CB 3.42Å; T550-L553 PolarHBondContact O-N 2.95Å; M551-L553 VanDerWaalsContact C-N 3.33Å; M551-L553 PolarHBondContact O-N 3.18Å; L553-Q555 VanDerWaalsContact C-N 3.26Å; L553-Q555 PolarHBondContact O-N 3Å; L553-R556 PolarHBondContact O-N 3.25Å; L553-L557 HydrophobicContact CD1-CD2 4.17Å; L553-L557 HydrophobicContact CD1-CG 4.42Å; L553-L557 HydrophobicContact CG-CG 4.46Å; L553-L557 WeakPolarHBondContact O-CG 3.17Å; L553-L557 PolarHBondContact O-N 2.73Å
554L93.4Very high87.3Confident6 Ų655.1 Ų55.13%0.03127%0.269CS..Hα-helixtrans-59.5-35.5179.7-66.9179.3000113L536 T550 M551 L557 P558 L581 H585 I586L536-L554 HydrophobicContact CD1-CD2 3.75Å; T550-L554 WeakPolarHBondContact O-CG 3.5Å; T550-L554 PolarHBondContact O-N 3.05Å; M551-L554 PolarHBondContact O-N 3.13Å; M551-L554 HydrophobicContact SD-CD1 4.27Å; L554-L557 HydrophobicContact CD2-CD1 4.21Å; L554-P558 WeakPolarHBondContact O-CD 3.48Å; L554-L581 HydrophobicContact CD1-CD1 3.71Å; L554-H585 HydrophobicContact CD1-CB 4.15Å; L554-I586 HydrophobicContact CD1-CD1 3.81Å; L554-I586 HydrophobicContact CD2-CD1 3.52Å; L554-I586 HydrophobicContact CG-CD1 4.3Å
555Q91.7Very high87Confident114 Ų11450.5 Ų50.553%0.53325%0.254SS..Hα-helixtrans-68.8-37.2174.1-71.1171.6-12.100112.5M551 K552 L553 P558M551-Q555 WeakPolarHBondContact O-CG 3.46Å; M551-Q555 PolarHBondContact O-N 2.94Å; M551-Q555 VanDerWaalsContact O-N 3.09Å; K552-Q555 PolarHBondContact O-N 2.54Å; L553-Q555 VanDerWaalsContact C-N 3.26Å; L553-Q555 PolarHBondContact O-N 3Å; Q555-P558 WeakPolarHBondContact O-CD 3.35Å; Q555-P558 WeakPolarHBondContact O-CG 3.41Å
556R90.5Very high87Confident78 Ų7854 Ų5429%0.29427%0.27SS..Hα-helixtrans-76.4-28.7-178.4-68.8-78.9-105.1154.60113.6N518 K552 L553 E559 M560N518-R556 PolarHBondContact OD1-NH2 2.82Å; K552-R556 WeakPolarHBondContact O-CB 3.29Å; K552-R556 WeakPolarHBondContact O-CG 3.25Å; K552-R556 PolarHBondContact O-N 2.83Å; L553-R556 PolarHBondContact O-N 3.25Å; R556-E559 WeakPolarHBondContact CD-OE2 3.05Å; R556-E559 IonicContact NH1-OE2 3.34Å; R556-E559 PolarHBondContact NH1-OE2 2.82Å; R556-E559 WeakPolarHBondContact O-CB 3.46Å; R556-E559 PolarHBondContact O-N 2.98Å; R556-M560 PolarHBondContact O-N 2.8Å
557L91.5Very high87.2Confident1 Ų156.9 Ų56.91%0.00528%0.281CS..Hα-helixtrans-53.3-53.1-179.3-73.4-177.9000113.8I534 L536 L553 L554 E559 M560 F561 L563I534-L557 HydrophobicContact CD1-CD2 3.93Å; L536-L557 HydrophobicContact CD1-CD1 4.26Å; L553-L557 HydrophobicContact CD1-CD2 4.17Å; L553-L557 HydrophobicContact CD1-CG 4.42Å; L553-L557 HydrophobicContact CG-CG 4.46Å; L553-L557 WeakPolarHBondContact O-CG 3.17Å; L553-L557 PolarHBondContact O-N 2.73Å; L554-L557 HydrophobicContact CD2-CD1 4.21Å; L557-E559 VanDerWaalsContact C-N 3.28Å; L557-E559 PolarHBondContact O-N 3.3Å; L557-M560 PolarHBondContact O-N 3.4Å; L557-F561 HydrophobicContact CD2-CD2 3.91Å; L557-F561 HydrophobicContact CD2-CE2 3.91Å; L557-F561 WeakPolarHBondContact O-CD2 3.32Å; L557-F561 PolarHBondContact O-N 3.34Å; L557-L563 HydrophobicContact CB-CD1 4.34Å
558P90.5Very high87.8Confident66 Ų6655.5 Ų55.543%0.42927%0.272SS..Hα-helixtrans-68.3-22179.426.4-35.9000114.3L554 Q555 M560 L589L554-P558 WeakPolarHBondContact O-CD 3.48Å; Q555-P558 WeakPolarHBondContact O-CD 3.35Å; Q555-P558 WeakPolarHBondContact O-CG 3.41Å; P558-M560 VanDerWaalsContact C-N 3.27Å; P558-L589 HydrophobicContact CB-CD2 3.86Å; P558-L589 HydrophobicContact CG-CD2 3.85Å
559E89.4Confident88.4Confident129 Ų12953.6 Ų53.660%0.60326%0.262SS*.Hα-helixtrans-68.3-31.3174.7-60174.3-179.100111.6R556 L557R556-E559 WeakPolarHBondContact CD-OE2 3.05Å; R556-E559 IonicContact NH1-OE2 3.34Å; R556-E559 PolarHBondContact NH1-OE2 2.82Å; R556-E559 WeakPolarHBondContact O-CB 3.46Å; R556-E559 PolarHBondContact O-N 2.98Å; L557-E559 VanDerWaalsContact C-N 3.28Å; L557-E559 PolarHBondContact O-N 3.3Å
560M85.4Confident88.8Confident40 Ų4051.3 Ų51.320%0.19725%0.25CC..Hα-helixtrans-104.9-32.3-171.7-62.5-172.169.700113.2L517 A528 R556 L557 P558L517-M560 HydrophobicContact CB-SD 4.11Å; L517-M560 HydrophobicContact CD1-SD 4.05Å; L517-M560 HydrophobicContact CD2-CE 3.74Å; L517-M560 HydrophobicContact CD2-SD 3.78Å; L517-M560 HydrophobicContact CG-SD 4.17Å; A528-M560 VanDerWaalsContact CB-O 3.27Å; A528-M560 WeakPolarHBondContact CB-O 3.17Å; R556-M560 PolarHBondContact O-N 2.8Å; L557-M560 PolarHBondContact O-N 3.4Å; P558-M560 VanDerWaalsContact C-N 3.27Å
561F90.1Very high89.1Confident7 Ų751.2 Ų51.23%0.03125%0.249CC..  trans-121.7136.8-171-54.8-75.5000112I451 F526 A528 V531 I534 L557 L563I451-F561 HydrophobicContact CD1-CE1 4.31Å; I451-F561 HydrophobicContact CD1-CZ 3.81Å; F526-F561 HydrophobicContact CE2-CE1 4.18Å; F526-F561 HydrophobicContact CE2-CZ 4.02Å; F526-F561 HydrophobicContact CZ-CZ 4.39Å; A528-F561 HydrophobicContact CB-CD1 4.03Å; A528-F561 HydrophobicContact CB-CE1 3.91Å; V531-F561 HydrophobicContact CB-CD1 4.13Å; V531-F561 HydrophobicContact CB-CE1 3.84Å; V531-F561 HydrophobicContact CG1-CD1 4.35Å; V531-F561 HydrophobicContact CG1-CE1 4.09Å; V531-F561 HydrophobicContact CG2-CE1 3.83Å; I534-F561 HydrophobicContact CD1-CB 4.23Å; I534-F561 HydrophobicContact CD1-CD1 4.08Å; I534-F561 HydrophobicContact CD1-CD2 3.45Å; I534-F561 VanDerWaalsContact CD1-CD2 3.45Å; I534-F561 HydrophobicContact CD1-CE1 4.31Å; I534-F561 HydrophobicContact CD1-CE2 3.72Å; I534-F561 HydrophobicContact CD1-CG 3.65Å; I534-F561 HydrophobicContact CD1-CZ 4.14Å; L557-F561 HydrophobicContact CD2-CD2 3.91Å; L557-F561 HydrophobicContact CD2-CE2 3.91Å; L557-F561 WeakPolarHBondContact O-CD2 3.32Å; L557-F561 PolarHBondContact O-N 3.34Å; F561-L563 HydrophobicContact CB-CD2 3.89Å; F561-L563 HydrophobicContact CB-CG 4.25Å; F561-L563 PolarHBondContact O-N 3.17Å; F561-L563 VanDerWaalsContact O-N 3.15Å
562Q89.2Confident89.5Confident97 Ų9749 Ų4945%0.45324%0.238SC..  trans-82.389.8171.9-68.9178.211.800109.9T564 K567 C568Q562-T564 VanDerWaalsContact C-N 3.31Å; Q562-T564 PolarHBondContact O-N 2.78Å; Q562-K567 HydrophobicContact CB-CB 4.14Å; Q562-K567 HydrophobicContact CB-CG 4.44Å; Q562-K567 VanDerWaalsContact O-CB 3.24Å; Q562-K567 WeakPolarHBondContact O-CB 3.21Å; Q562-C568 WeakPolarHBondContact O-CB 3.26Å; Q562-C568 PolarHBondContact O-N 2.95Å; Q562-C568 VanDerWaalsContact O-N 3.16Å
563L88.8Confident89.7Confident15 Ų1544 Ų448%0.07922%0.216CC..  trans-80.272.4-174.8-58.2176.2000112.2I534 L557 F561 C568 L570 L589 P591I534-L563 HydrophobicContact CD1-CD2 4.33Å; L557-L563 HydrophobicContact CB-CD1 4.34Å; F561-L563 HydrophobicContact CB-CD2 3.89Å; F561-L563 HydrophobicContact CB-CG 4.25Å; F561-L563 PolarHBondContact O-N 3.17Å; F561-L563 VanDerWaalsContact O-N 3.15Å; L563-C568 WeakPolarHBondContact CA-O 3.45Å; L563-C568 HydrophobicContact CD2-CB 4.09Å; L563-L570 HydrophobicContact CD1-CD2 4.42Å; L563-L589 WeakPolarHBondContact CB-O 3.31Å; L563-L589 HydrophobicContact CD1-CB 3.8Å; L563-L589 HydrophobicContact CD1-CD1 4.17Å; L563-L589 HydrophobicContact CD1-CD2 4.16Å; L563-L589 HydrophobicContact CD1-CG 4.27Å; L563-P591 WeakPolarHBondContact O-CD 3.09Å
564T81.5Confident89.8Confident62 Ų6243.9 Ų43.938%0.3822%0.216SC..SBendtrans-135.7162.6177.265.90000111.1Q562 N566 K567 C568Q562-T564 VanDerWaalsContact C-N 3.31Å; Q562-T564 PolarHBondContact O-N 2.78Å; T564-N566 PolarHBondContact O-N 2.97Å; T564-K567 PolarHBondContact O-N 2.71Å; T564-K567 VanDerWaalsContact O-N 3.13Å; T564-K567 WeakPolarHBondContact OG1-CG 3.47Å; T564-C568 PolarHBondContact N-O 3.02Å; T564-C568 PolarHBondContact O-N 2.97Å
565Q72.1Confident89.7Confident57 Ų5746.8 Ų46.827%0.26623%0.226SC..THydrogen-bonded Turntrans-53.4137.5171.3-173.2179.3-4.700110.6K410 K567 D592K410-Q565 VanDerWaalsContact CE-NE2 3.34Å; K410-Q565 HydrophobicContact CG-CG 4.27Å; Q565-K567 PolarHBondContact O-N 2.91Å; Q565-D592 WeakPolarHBondContact CB-OD2 3.46Å
566N76.4Confident89.7Confident136 Ų13643.1 Ų43.173%0.72721%0.21SC*.THydrogen-bonded Turntrans68.70-177.4-49.2-34.7000116.9T564T564-N566 PolarHBondContact O-N 2.97Å
567K87.1Confident89.7Confident101 Ų10139.5 Ų39.544%0.43920%0.196SC..THydrogen-bonded Turntrans-107.8-81.1173.3-67-64.7-170.7175.10110.6K532 Q562 T564 Q565K532-K567 WeakPolarHBondContact CD-O 3.45Å; Q562-K567 HydrophobicContact CB-CB 4.14Å; Q562-K567 HydrophobicContact CB-CG 4.44Å; Q562-K567 VanDerWaalsContact O-CB 3.24Å; Q562-K567 WeakPolarHBondContact O-CB 3.21Å; T564-K567 PolarHBondContact O-N 2.71Å; T564-K567 VanDerWaalsContact O-N 3.13Å; T564-K567 WeakPolarHBondContact OG1-CG 3.47Å; Q565-K567 PolarHBondContact O-N 2.91Å
568C92.4Very high89.6Confident3 Ų340 Ų402%0.0220%0.199CC..  trans-131113.4175.1-176.40000109.8K532 Q562 L563 T564K532-C568 CarbonylContact O-C 3.58Å; K532-C568 WeakPolarHBondContact O-CA 2.86Å; Q562-C568 WeakPolarHBondContact O-CB 3.26Å; Q562-C568 PolarHBondContact O-N 2.95Å; Q562-C568 VanDerWaalsContact O-N 3.16Å; L563-C568 WeakPolarHBondContact CA-O 3.45Å; L563-C568 HydrophobicContact CD2-CB 4.09Å; T564-C568 PolarHBondContact N-O 3.02Å; T564-C568 PolarHBondContact O-N 2.97Å
569Q93.8Very high89.4Confident10 Ų1038 Ų385%0.04719%0.185CC..EExtended strand (participates in β ladder)trans-75.5137.8176.1-175178.214.300110.1V406 K410 K532 C533 I534 L571V406-Q569 PolarHBondContact O-NE2 3.4Å; K410-Q569 PolarHBondContact O-NE2 2.82Å; K532-Q569 PolarHBondContact O-N 3.17Å; C533-Q569 CarbonylContact C-O 3.54Å; C533-Q569 WeakPolarHBondContact CA-O 3.33Å; I534-Q569 PolarHBondContact N-O 2.82Å; Q569-L571 HydrophobicContact CG-CD2 3.9Å; Q569-L571 HydrophobicContact CG-CG 4.31Å
570L96.3Very high89.2Confident0 Ų034.5 Ų34.50%017%0.171CC..EExtended strand (participates in β ladder)trans-108.6127.6173-174.759.8000109.6S411 V412 I534 L536 L563 V572 L589 M590S411-L570 WeakPolarHBondContact CA-O 3.41Å; S411-L570 WeakPolarHBondContact CB-O 3.23Å; S411-L570 PolarHBondContact OG-N 3Å; S411-L570 VanDerWaalsContact OG-N 3.12Å; S411-L570 PolarHBondContact OG-O 2.97Å; V412-L570 PolarHBondContact N-O 3.35Å; I534-L570 HydrophobicContact CB-CD1 4.01Å; I534-L570 HydrophobicContact CG2-CD1 3.99Å; I534-L570 CarbonylContact O-C 3.54Å; I534-L570 WeakPolarHBondContact O-CA 3.16Å; L536-L570 HydrophobicContact CD1-CD1 4.27Å; L536-L570 HydrophobicContact CG-CD1 4.26Å; L563-L570 HydrophobicContact CD1-CD2 4.42Å; L570-V572 HydrophobicContact CD1-CG2 4.3Å; L570-V572 HydrophobicContact CD2-CG2 4.25Å; L570-V572 HydrophobicContact CG-CG2 3.88Å; L570-L589 HydrophobicContact CD2-CB 3.81Å; L570-L589 HydrophobicContact CD2-CD1 4.29Å; L570-M590 HydrophobicContact CB-CE 4.44Å; L570-M590 HydrophobicContact CB-CG 4.22Å; L570-M590 HydrophobicContact CD2-CG 3.72Å; L570-M590 HydrophobicContact CD2-SD 4.2Å; L570-M590 HydrophobicContact CG-CE 4.43Å; L570-M590 HydrophobicContact CG-CG 4.25Å; L570-M590 HydrophobicContact CG-SD 4.47Å; L570-M590 VanDerWaalsContact O-CE 3.32Å; L570-M590 WeakPolarHBondContact O-CE 3.25Å
571L97.4Very high89.4Confident0 Ų032.9 Ų32.90%016%0.163CC..EExtended strand (participates in β ladder)trans-119.3121.9179.8-53.9170.9000108V406 V412 Y426 V430 C533 I534 A535 L536 Q569V406-L571 HydrophobicContact CG1-CD2 4.02Å; V406-L571 HydrophobicContact CG2-CD2 4.21Å; V412-L571 HydrophobicContact CG1-CD2 3.74Å; Y426-L571 HydrophobicContact CD1-CB 4.34Å; Y426-L571 HydrophobicContact CD2-CB 4.34Å; Y426-L571 HydrophobicContact CD2-CD1 3.82Å; Y426-L571 HydrophobicContact CG-CB 4.2Å; Y426-L571 HydrophobicContact CG-CD1 3.88Å; Y426-L571 HydrophobicContact CG-CD2 4.5Å; Y426-L571 HydrophobicContact CG-CG 4.44Å; V430-L571 HydrophobicContact CG2-CD1 3.31Å; C533-L571 WeakPolarHBondContact SG-CD1 3.49Å; I534-L571 PolarHBondContact O-N 2.8Å; A535-L571 CarbonylContact C-O 3.54Å; A535-L571 VanDerWaalsContact CA-O 3.32Å; A535-L571 WeakPolarHBondContact CA-O 3.13Å; A535-L571 HydrophobicContact CB-CB 4.16Å; A535-L571 HydrophobicContact CB-CD1 4.34Å; L536-L571 PolarHBondContact N-O 2.93Å; Q569-L571 HydrophobicContact CG-CD2 3.9Å; Q569-L571 HydrophobicContact CG-CG 4.31Å
572V97.3Very high89.4Confident0 Ų032.6 Ų32.60%016%0.161CC..EExtended strand (participates in β ladder)trans-127.8136-176.1-173.80000109.6V412 L413 V414 L536 L539 L570 I586 M590V412-V572 PolarHBondContact O-N 2.64Å; L413-V572 CarbonylContact C-O 3.57Å; L413-V572 VanDerWaalsContact CA-O 3.31Å; L413-V572 WeakPolarHBondContact CA-O 3.39Å; L413-V572 HydrophobicContact CD1-CB 3.65Å; L413-V572 HydrophobicContact CD1-CG1 3.52Å; V414-V572 PolarHBondContact N-O 3.36Å; L536-V572 HydrophobicContact CB-CG2 4.42Å; L536-V572 HydrophobicContact CD1-CG2 4.42Å; L539-V572 HydrophobicContact CB-CG1 4.09Å; L539-V572 HydrophobicContact CD2-CG1 3.84Å; L570-V572 HydrophobicContact CD1-CG2 4.3Å; L570-V572 HydrophobicContact CD2-CG2 4.25Å; L570-V572 HydrophobicContact CG-CG2 3.88Å; V572-I586 HydrophobicContact CB-CG2 4.49Å; V572-I586 HydrophobicContact CG1-CG2 4.37Å; V572-I586 HydrophobicContact CG2-CG2 4.01Å; V572-M590 HydrophobicContact CG2-CE 4.1Å; V572-M590 HydrophobicContact CG2-SD 4.05Å
573S96.6Very high89.3Confident0 Ų030 Ų300%015%0.152CC..EExtended strand (participates in β ladder)trans-127.8144.8173.41110000110.5V414 L536 D537 N538 L539V414-S573 CarbonylContact O-C 3.59Å; V414-S573 WeakPolarHBondContact O-CA 3.37Å; L536-S573 PolarHBondContact O-N 3.37Å; D537-S573 WeakPolarHBondContact OD1-CB 3.26Å; D537-S573 PolarHBondContact OD1-OG 3.35Å; N538-S573 CarbonylContact C-O 3.55Å; N538-S573 VanDerWaalsContact CA-O 3.26Å; N538-S573 WeakPolarHBondContact CA-O 3.45Å; N538-S573 PolarHBondContact N-O 3.12Å; N538-S573 VanDerWaalsContact N-O 3.1Å; N538-S573 PolarHBondContact N-OG 2.83Å; L539-S573 PolarHBondContact N-O 2.87Å
574G94.4Very high89.2Confident0 Ų035.2 Ų35.20%018%0.176CC..EExtended strand (participates in β ladder)trans-149.9163.4-177.100000112.4V414 V415 G416 K422 N540V414-G574 PolarHBondContact O-N 2.89Å; V415-G574 WeakPolarHBondContact CA-O 3.44Å; G416-G574 PolarHBondContact N-O 2.97Å; G416-G574 VanDerWaalsContact N-O 3.09Å; K422-G574 WeakPolarHBondContact CD-O 3.38Å; K422-G574 WeakPolarHBondContact CE-O 3.37Å; N540-G574 WeakPolarHBondContact OD1-CA 3.23Å
575R90.7Very high89.6Confident67 Ų6735 Ų3525%0.25317%0.171SC..SBendtrans-94.9-33.9171.6-61.9-170.7-162.8-170.310.9112.9G416 L418 N540 D541G416-R575 WeakPolarHBondContact O-CA 3.48Å; L418-R575 VanDerWaalsContact CG-CZ 3.45Å; L418-R575 VanDerWaalsContact CG-NH1 3.31Å; N540-R575 PolarHBondContact OD1-N 3.28Å; D541-R575 IonicContact OD1-NH2 2.78Å; D541-R575 IonicContact OD2-CZ 3.97Å; D541-R575 IonicContact OD2-NE 3.58Å; D541-R575 PolarHBondContact OD2-NE 3.11Å; D541-R575 IonicContact OD2-NH2 2.73Å; D541-R575 PolarHBondContact OD2-NH2 2.86Å
576I91.5Very high90.6Very high37 Ų3732.3 Ų32.319%0.1916%0.158CC..SBendtrans-131.3139.4-166.9-57.7167.1000108.1N540 H578 E602 K762 H763N540-I576 PolarHBondContact ND2-O 3.01Å; N540-I576 PolarHBondContact OD1-N 3.28Å; N540-I576 VanDerWaalsContact OD1-N 3.14Å; N540-I576 PolarHBondContact OD1-O 3.44Å; I576-H578 PolarHBondContact O-N 3.48Å; I576-E602 WeakPolarHBondContact CA-OE2 3.16Å; I576-E602 WeakPolarHBondContact CG2-OE2 3.43Å; I576-K762 HydrophobicContact CD1-CB 4.4Å; I576-K762 HydrophobicContact CD1-CD 3.88Å; I576-K762 HydrophobicContact CD1-CG 4.32Å; I576-H763 WeakPolarHBondContact CG2-CE1 3.37Å; I576-H763 WeakPolarHBondContact CG2-NE2 3.43Å
577W92Very high91.3Very high1 Ų126.5 Ų26.50%0.00413%0.127CC..  trans-79.789.7170.3-174.1-96.2000110.4L413 V415 T579 M582 V583 L587 V595 F597 E602 Y606 H763L413-W577 HydrophobicContact CD2-CH2 4.16Å; L413-W577 HydrophobicContact CD2-CZ3 3.62Å; V415-W577 HydrophobicContact CG2-CE3 4.05Å; W577-T579 PolarHBondContact NE1-OG1 2.95Å; W577-T579 PolarHBondContact O-N 3.28Å; W577-M582 HydrophobicContact CD2-CB 4.33Å; W577-M582 HydrophobicContact CD2-CG 4.16Å; W577-M582 HydrophobicContact CE3-CB 4.27Å; W577-M582 HydrophobicContact CE3-CG 3.95Å; W577-M582 HydrophobicContact CH2-CB 3.63Å; W577-M582 HydrophobicContact CH2-CG 4.19Å; W577-M582 HydrophobicContact CZ2-CB 3.64Å; W577-M582 HydrophobicContact CZ2-CG 4.34Å; W577-M582 HydrophobicContact CZ3-CB 3.96Å; W577-M582 HydrophobicContact CZ3-CG 4Å; W577-V583 HydrophobicContact CZ2-CG2 4.2Å; W577-L587 HydrophobicContact CH2-CD1 4.09Å; W577-L587 HydrophobicContact CZ2-CD1 4.49Å; W577-V595 HydrophobicContact CZ3-CG1 4.02Å; W577-F597 HydrophobicContact CB-CE1 4.1Å; W577-F597 AromaticContact CD2-CE1 3.85Å; W577-F597 HydrophobicContact CD2-CE1 3.85Å; W577-F597 AromaticContact CD2-CZ 3.83Å; W577-F597 HydrophobicContact CD2-CZ 3.83Å; W577-F597 AromaticContact CE3-CE1 3.41Å; W577-F597 HydrophobicContact CE3-CE1 3.41Å; W577-F597 VanDerWaalsContact CE3-CE1 3.41Å; W577-F597 AromaticContact CE3-CZ 3.32Å; W577-F597 HydrophobicContact CE3-CZ 3.32Å; W577-F597 HydrophobicContact CG-CE1 4.13Å; W577-F597 HydrophobicContact CG-CZ 4.47Å; W577-F597 HydrophobicContact CH2-CZ 4.33Å; W577-F597 HydrophobicContact CZ3-CE1 4.13Å; W577-F597 AromaticContact CZ3-CZ 3.59Å; W577-F597 HydrophobicContact CZ3-CZ 3.59Å; W577-E602 PolarHBondContact N-OE2 3.47Å; W577-Y606 HydrophobicContact CD2-CD2 4.31Å; W577-Y606 AromaticContact CE2-CD2 3.66Å; W577-Y606 AromaticContact CH2-CD2 3.81Å; W577-Y606 HydrophobicContact CH2-CD2 3.81Å; W577-Y606 HydrophobicContact CH2-CE2 4.14Å; W577-Y606 AromaticContact CZ2-CD2 3.41Å; W577-Y606 HydrophobicContact CZ2-CD2 3.41Å; W577-Y606 VanDerWaalsContact CZ2-CD2 3.41Å; W577-Y606 HydrophobicContact CZ2-CE2 4.01Å; W577-Y606 HydrophobicContact CZ2-CG 4.45Å; W577-Y606 HydrophobicContact CZ3-CD2 4.4Å; W577-H763 PolarHBondContact O-CE1 3.19Å; W577-H763 VanDerWaalsContact O-CE1 3.26Å; W577-H763 PolarHBondContact O-ND1 2.79Å
578H88.3Confident91.5Very high13 Ų1325.7 Ų25.76%0.0613%0.132CC..  trans-85100.8171.2-176-117.9000109.2I576 D580 L581 M582 K764 R1022I576-H578 PolarHBondContact O-N 3.48Å; H578-D580 IonicContact CE1-OD2 2.87Å; H578-D580 IonicContact NE2-OD2 3.87Å; H578-D580 PolarHBondContact NE2-OD2 3.36Å; H578-D580 PolarHBondContact O-N 3.01Å; H578-L581 HydrophobicContact CB-CB 4.18Å; H578-L581 WeakPolarHBondContact ND1-CB 3.4Å; H578-L581 PolarHBondContact ND1-N 3.11Å; H578-L581 PolarHBondContact O-N 3.27Å; H578-M582 WeakPolarHBondContact O-CG 3.38Å; H578-M582 PolarHBondContact O-N 2.73Å; H578-K764 VanDerWaalsContact NE2-CE 3.28Å; H578-K764 WeakPolarHBondContact NE2-CE 3.28Å; H578-R1022 PolarHBondContact CE1-NH2 3.4Å; H578-R1022 PolarHBondContact ND1-NH2 2.99Å
579T87.1Confident91.4Very high22 Ų2226.6 Ų26.614%0.13514%0.137CC..Hα-helixtrans-54.7-50.4-168-55.20000113.5V342 W577 L581 M582 V583V342-T579 HydrophobicContact CB-CG2 4.02Å; V342-T579 HydrophobicContact CG1-CG2 3.74Å; V342-T579 HydrophobicContact CG2-CG2 3.5Å; V342-T579 VanDerWaalsContact CG2-CG2 3.5Å; W577-T579 PolarHBondContact NE1-OG1 2.95Å; W577-T579 PolarHBondContact O-N 3.28Å; T579-L581 VanDerWaalsContact C-N 3.34Å; T579-L581 PolarHBondContact O-N 3.25Å; T579-M582 PolarHBondContact O-N 3.36Å; T579-V583 HydrophobicContact CG2-CG2 3.88Å; T579-V583 VanDerWaalsContact O-CB 3.29Å; T579-V583 WeakPolarHBondContact O-CB 3.47Å; T579-V583 WeakPolarHBondContact O-CG2 3.4Å; T579-V583 PolarHBondContact O-N 2.78Å
580D84.9Confident91.3Very high57 Ų5726.3 Ų26.331%0.30514%0.135SC..Hα-helixtrans-59.1-46.6-178.1-44.7-36.6000111.3H578 Q584 K764H578-D580 IonicContact CE1-OD2 2.87Å; H578-D580 IonicContact NE2-OD2 3.87Å; H578-D580 PolarHBondContact NE2-OD2 3.36Å; H578-D580 PolarHBondContact O-N 3.01Å; D580-Q584 WeakPolarHBondContact O-CB 3.34Å; D580-Q584 WeakPolarHBondContact O-CG 3.26Å; D580-Q584 PolarHBondContact O-N 3.47Å; D580-K764 IonicContact OD2-NZ 3.6Å; D580-K764 PolarHBondContact OD2-NZ 3.14Å
581L88.8Confident90.6Very high6 Ų628.7 Ų28.73%0.03115%0.151CC..Iπ-helixtrans-60.7-50178.3175.268.6000111.2L539 V543 M551 L554 H578 T579 H585 I586L539-L581 HydrophobicContact CD2-CD2 3.95Å; L539-L581 HydrophobicContact CD2-CG 4.31Å; L539-L581 HydrophobicContact CG-CD2 4.16Å; V543-L581 HydrophobicContact CG2-CD1 4.2Å; V543-L581 HydrophobicContact CG2-CD2 3.77Å; M551-L581 HydrophobicContact SD-CD1 3.93Å; L554-L581 HydrophobicContact CD1-CD1 3.71Å; H578-L581 HydrophobicContact CB-CB 4.18Å; H578-L581 WeakPolarHBondContact ND1-CB 3.4Å; H578-L581 PolarHBondContact ND1-N 3.11Å; H578-L581 PolarHBondContact O-N 3.27Å; T579-L581 VanDerWaalsContact C-N 3.34Å; T579-L581 PolarHBondContact O-N 3.25Å; L581-H585 HydrophobicContact CD1-CB 4.47Å; L581-H585 WeakPolarHBondContact O-CB 3.42Å; L581-H585 PolarHBondContact O-N 3.38Å; L581-H585 VanDerWaalsContact O-N 3.11Å; L581-I586 HydrophobicContact CG-CG1 4.47Å; L581-I586 PolarHBondContact O-N 3.36Å
582M90.8Very high90Very high0 Ų030.2 Ų30.20%016%0.159CC..Iπ-helixtrans-69.4-46.3-173.9-63.6-61.1170.400111.4L413 L539 W577 H578 T579 I586 L587L413-M582 HydrophobicContact CD1-SD 4.08Å; L413-M582 HydrophobicContact CD2-SD 4.03Å; L539-M582 HydrophobicContact CD2-CE 4.11Å; L539-M582 HydrophobicContact CD2-SD 4.41Å; W577-M582 HydrophobicContact CD2-CB 4.33Å; W577-M582 HydrophobicContact CD2-CG 4.16Å; W577-M582 HydrophobicContact CE3-CB 4.27Å; W577-M582 HydrophobicContact CE3-CG 3.95Å; W577-M582 HydrophobicContact CH2-CB 3.63Å; W577-M582 HydrophobicContact CH2-CG 4.19Å; W577-M582 HydrophobicContact CZ2-CB 3.64Å; W577-M582 HydrophobicContact CZ2-CG 4.34Å; W577-M582 HydrophobicContact CZ3-CB 3.96Å; W577-M582 HydrophobicContact CZ3-CG 4Å; H578-M582 WeakPolarHBondContact O-CG 3.38Å; H578-M582 PolarHBondContact O-N 2.73Å; T579-M582 PolarHBondContact O-N 3.36Å; M582-I586 PolarHBondContact O-N 3.48Å; M582-I586 HydrophobicContact SD-CB 4.36Å; M582-I586 HydrophobicContact SD-CG1 4.18Å; M582-L587 WeakPolarHBondContact O-CB 3.33Å; M582-L587 WeakPolarHBondContact O-CG 3.21Å; M582-L587 PolarHBondContact O-N 2.87Å
583V87.5Confident89.7Confident43 Ų4330.4 Ų30.426%0.26116%0.16SC..Iπ-helixtrans-76.5-41.3-175.1173.80000112.2F345 W577 T579 L587 P588F345-V583 HydrophobicContact CE2-CG1 4.13Å; W577-V583 HydrophobicContact CZ2-CG2 4.2Å; T579-V583 HydrophobicContact CG2-CG2 3.88Å; T579-V583 VanDerWaalsContact O-CB 3.29Å; T579-V583 WeakPolarHBondContact O-CB 3.47Å; T579-V583 WeakPolarHBondContact O-CG2 3.4Å; T579-V583 PolarHBondContact O-N 2.78Å; V583-L587 HydrophobicContact CG2-CD1 4.4Å; V583-P588 WeakPolarHBondContact O-CD 3.47Å; V583-P588 WeakPolarHBondContact O-CG 3.2Å
584Q87Confident89.7Confident125 Ų12530.4 Ų30.458%0.58416%0.16SC*.Iπ-helixtrans-88.5-28.1-173.8-56178.30.900113.1D580D580-Q584 WeakPolarHBondContact O-CB 3.34Å; D580-Q584 WeakPolarHBondContact O-CG 3.26Å; D580-Q584 PolarHBondContact O-N 3.47Å
585H89.7Confident89.7Confident57 Ų5730.4 Ų30.426%0.26416%0.16SC..Iπ-helixtrans-120.7-27.3-170.8-59.3-72.1000115.2M551 L554 L581 L589M551-H585 HydrophobicContact CE-CB 4.39Å; M551-H585 WeakPolarHBondContact CE-CD2 3.19Å; M551-H585 VanDerWaalsContact CE-CE1 3.47Å; M551-H585 WeakPolarHBondContact CE-CE1 3.25Å; M551-H585 WeakPolarHBondContact CE-NE2 3.4Å; L554-H585 HydrophobicContact CD1-CB 4.15Å; L581-H585 HydrophobicContact CD1-CB 4.47Å; L581-H585 WeakPolarHBondContact O-CB 3.42Å; L581-H585 PolarHBondContact O-N 3.38Å; L581-H585 VanDerWaalsContact O-N 3.11Å; H585-L589 VanDerWaalsContact O-CD1 3.27Å; H585-L589 WeakPolarHBondContact O-CD1 3.42Å; H585-L589 WeakPolarHBondContact O-CG 3.46Å
586I93.3Very high89.9Confident0 Ų027.2 Ų27.20%015%0.148CC..Iπ-helixtrans-100.5-57.5-175.6-60-61.1000112.2L539 L554 V572 L581 M582 P588 L589 M590L539-I586 HydrophobicContact CD2-CD1 3.5Å; L539-I586 HydrophobicContact CD2-CG1 3.62Å; L554-I586 HydrophobicContact CD1-CD1 3.81Å; L554-I586 HydrophobicContact CD2-CD1 3.52Å; L554-I586 HydrophobicContact CG-CD1 4.3Å; V572-I586 HydrophobicContact CB-CG2 4.49Å; V572-I586 HydrophobicContact CG1-CG2 4.37Å; V572-I586 HydrophobicContact CG2-CG2 4.01Å; L581-I586 HydrophobicContact CG-CG1 4.47Å; L581-I586 PolarHBondContact O-N 3.36Å; M582-I586 PolarHBondContact O-N 3.48Å; M582-I586 HydrophobicContact SD-CB 4.36Å; M582-I586 HydrophobicContact SD-CG1 4.18Å; I586-P588 VanDerWaalsContact C-CD 3.4Å; I586-P588 VanDerWaalsContact C-N 3.34Å; I586-L589 WeakPolarHBondContact O-CA 3.22Å; I586-L589 VanDerWaalsContact O-CB 3.3Å; I586-L589 WeakPolarHBondContact O-CB 3.41Å; I586-L589 PolarHBondContact O-N 3.41Å; I586-M590 HydrophobicContact CG2-SD 3.57Å; I586-M590 VanDerWaalsContact CG2-SD 3.57Å; I586-M590 WeakPolarHBondContact O-CG 3.4Å
587L91.2Very high90.1Very high15 Ų1525.5 Ų25.58%0.07914%0.139CC..G310 helixtrans-57.6-36.2-177.2-70.3177.8000114.2F345 L413 W577 M582 V583 L589 M590 V593 V595F345-L587 HydrophobicContact CD2-CD1 4.04Å; F345-L587 HydrophobicContact CE2-CB 4.12Å; F345-L587 HydrophobicContact CE2-CD1 3.53Å; F345-L587 HydrophobicContact CE2-CG 4.5Å; F345-L587 HydrophobicContact CZ-CB 4.03Å; F345-L587 HydrophobicContact CZ-CD1 4.21Å; L413-L587 HydrophobicContact CD2-CD2 4.18Å; W577-L587 HydrophobicContact CH2-CD1 4.09Å; W577-L587 HydrophobicContact CZ2-CD1 4.49Å; M582-L587 WeakPolarHBondContact O-CB 3.33Å; M582-L587 WeakPolarHBondContact O-CG 3.21Å; M582-L587 PolarHBondContact O-N 2.87Å; V583-L587 HydrophobicContact CG2-CD1 4.4Å; L587-L589 PolarHBondContact O-N 2.9Å; L587-L589 VanDerWaalsContact O-N 3.16Å; L587-M590 PolarHBondContact O-N 3.36Å; L587-V593 HydrophobicContact CD2-CG1 4Å; L587-V593 HydrophobicContact CD2-CG2 4.49Å; L587-V595 HydrophobicContact CD2-CG2 4.05Å
588P89.9Confident90.2Very high84 Ų8427.9 Ų27.955%0.54515%0.152SC..G310 helixtrans-60-23.9174.5-26.237.4000113.7V583 I586 M590V583-P588 WeakPolarHBondContact O-CD 3.47Å; V583-P588 WeakPolarHBondContact O-CG 3.2Å; I586-P588 VanDerWaalsContact C-CD 3.4Å; I586-P588 VanDerWaalsContact C-N 3.34Å; P588-M590 VanDerWaalsContact C-N 3.3Å
589L90.8Very high90.4Very high22 Ų2227.5 Ų27.512%0.11515%0.15CC..G310 helixtrans-85.7-0.1177.4-52.1-178.6000113P558 L563 L570 H585 I586 L587P558-L589 HydrophobicContact CB-CD2 3.86Å; P558-L589 HydrophobicContact CG-CD2 3.85Å; L563-L589 WeakPolarHBondContact CB-O 3.31Å; L563-L589 HydrophobicContact CD1-CB 3.8Å; L563-L589 HydrophobicContact CD1-CD1 4.17Å; L563-L589 HydrophobicContact CD1-CD2 4.16Å; L563-L589 HydrophobicContact CD1-CG 4.27Å; L570-L589 HydrophobicContact CD2-CB 3.81Å; L570-L589 HydrophobicContact CD2-CD1 4.29Å; H585-L589 VanDerWaalsContact O-CD1 3.27Å; H585-L589 WeakPolarHBondContact O-CD1 3.42Å; H585-L589 WeakPolarHBondContact O-CG 3.46Å; I586-L589 WeakPolarHBondContact O-CA 3.22Å; I586-L589 VanDerWaalsContact O-CB 3.3Å; I586-L589 WeakPolarHBondContact O-CB 3.41Å; I586-L589 PolarHBondContact O-N 3.41Å; L587-L589 PolarHBondContact O-N 2.9Å; L587-L589 VanDerWaalsContact O-N 3.16Å
590M91.1Very high90.7Very high3 Ų326.6 Ų26.62%0.01515%0.145CC..  trans-13472.8-169.7-51.7175.781.700111.7V412 L413 L570 V572 I586 L587 P588 D592 V593V412-M590 VanDerWaalsContact O-CE 3.3Å; V412-M590 WeakPolarHBondContact O-CE 3.29Å; L413-M590 HydrophobicContact CB-CE 4.32Å; L570-M590 HydrophobicContact CB-CE 4.44Å; L570-M590 HydrophobicContact CB-CG 4.22Å; L570-M590 HydrophobicContact CD2-CG 3.72Å; L570-M590 HydrophobicContact CD2-SD 4.2Å; L570-M590 HydrophobicContact CG-CE 4.43Å; L570-M590 HydrophobicContact CG-CG 4.25Å; L570-M590 HydrophobicContact CG-SD 4.47Å; L570-M590 VanDerWaalsContact O-CE 3.32Å; L570-M590 WeakPolarHBondContact O-CE 3.25Å; V572-M590 HydrophobicContact CG2-CE 4.1Å; V572-M590 HydrophobicContact CG2-SD 4.05Å; I586-M590 HydrophobicContact CG2-SD 3.57Å; I586-M590 VanDerWaalsContact CG2-SD 3.57Å; I586-M590 WeakPolarHBondContact O-CG 3.4Å; L587-M590 PolarHBondContact O-N 3.36Å; P588-M590 VanDerWaalsContact C-N 3.3Å; M590-D592 VanDerWaalsContact C-N 3.29Å; M590-D592 PolarHBondContact O-N 3.17Å; M590-V593 HydrophobicContact CB-CB 3.73Å; M590-V593 HydrophobicContact CB-CG1 4.45Å; M590-V593 HydrophobicContact CB-CG2 4.15Å; M590-V593 HydrophobicContact CE-CB 4.46Å; M590-V593 HydrophobicContact CE-CG2 3.69Å; M590-V593 WeakPolarHBondContact O-CB 3.42Å; M590-V593 WeakPolarHBondContact O-CG1 3.3Å; M590-V593 PolarHBondContact O-N 3.37Å; M590-V593 HydrophobicContact SD-CG2 4.07Å
591P82.7Confident91.2Very high51 Ų5124.1 Ų24.133%0.33113%0.132SC..THydrogen-bonded Turntrans-58.9-37.6-176.321.8-32.4000113.4R362 L563R362-P591 VanDerWaalsContact CD-O 3.3Å; R362-P591 WeakPolarHBondContact CD-O 3.25Å; R362-P591 PolarHBondContact NE-O 2.98Å; R362-P591 VanDerWaalsContact NE-O 3.17Å; L563-P591 WeakPolarHBondContact O-CD 3.09Å
592D84.3Confident91.4Very high31 Ų3124.4 Ų24.417%0.16613%0.133CC..THydrogen-bonded Turntrans-105.231.8-175.2-53.2-59.4000113.5H363 H405 Q565 M590H363-D592 IonicContact CE1-OD1 3.43Å; H363-D592 PolarHBondContact CE1-OD1 3.12Å; H363-D592 VanDerWaalsContact CE1-OD1 3.29Å; H405-D592 PolarHBondContact CE1-O 2.7Å; H405-D592 PolarHBondContact NE2-O 3.13Å; Q565-D592 WeakPolarHBondContact CB-OD2 3.46Å; M590-D592 VanDerWaalsContact C-N 3.29Å; M590-D592 PolarHBondContact O-N 3.17Å
593V92.2Very high91.5Very high4 Ų424.4 Ų24.42%0.02413%0.133CC..PPolyproline II helixtrans-67.3139.7-172.667.60000113.8W360 S411 L413 L587 M590 V595W360-V593 HydrophobicContact CZ3-CG1 3.96Å; S411-V593 WeakPolarHBondContact O-CA 3.49Å; L413-V593 HydrophobicContact CB-CG2 4.03Å; L587-V593 HydrophobicContact CD2-CG1 4Å; L587-V593 HydrophobicContact CD2-CG2 4.49Å; M590-V593 HydrophobicContact CB-CB 3.73Å; M590-V593 HydrophobicContact CB-CG1 4.45Å; M590-V593 HydrophobicContact CB-CG2 4.15Å; M590-V593 HydrophobicContact CE-CB 4.46Å; M590-V593 HydrophobicContact CE-CG2 3.69Å; M590-V593 WeakPolarHBondContact O-CB 3.42Å; M590-V593 WeakPolarHBondContact O-CG1 3.3Å; M590-V593 PolarHBondContact O-N 3.37Å; M590-V593 HydrophobicContact SD-CG2 4.07Å; V593-V595 HydrophobicContact CG1-CG2 4.05Å; V593-V595 HydrophobicContact CG2-CG2 3.94Å
594L94.8Very high91.7Very high0 Ų022.5 Ų22.50%012%0.122CC..EExtended strand (participates in β ladder)trans-100.5117.1155.6169.966000108.5W360 V365 F401 H405 S411 V412 L413 L596W360-L594 WeakPolarHBondContact O-CA 3.06Å; V365-L594 HydrophobicContact CG1-CD2 4.49Å; V365-L594 HydrophobicContact CG2-CD1 4.25Å; V365-L594 HydrophobicContact CG2-CD2 4.38Å; F401-L594 HydrophobicContact CB-CD2 4.12Å; F401-L594 WeakPolarHBondContact O-CD2 3.31Å; H405-L594 HydrophobicContact CB-CD2 3.66Å; H405-L594 WeakPolarHBondContact CD2-CB 3.49Å; H405-L594 VanDerWaalsContact NE2-CB 3.34Å; H405-L594 WeakPolarHBondContact NE2-CB 3.17Å; H405-L594 PolarHBondContact NE2-N 3.3Å; S411-L594 PolarHBondContact O-N 3.47Å; V412-L594 CarbonylContact C-O 3.52Å; V412-L594 WeakPolarHBondContact CA-O 3.48Å; V412-L594 HydrophobicContact CG2-CB 4.23Å; V412-L594 HydrophobicContact CG2-CD2 4.29Å; V412-L594 HydrophobicContact CG2-CG 4.3Å; V412-L594 WeakPolarHBondContact CG2-O 3.34Å; L413-L594 PolarHBondContact N-O 2.97Å; L594-L596 HydrophobicContact CD1-CD2 3.77Å; L594-L596 HydrophobicContact CD1-CG 4.29Å; L594-L596 HydrophobicContact CD2-CD1 4.02Å; L594-L596 HydrophobicContact CD2-CD2 4.08Å; L594-L596 HydrophobicContact CD2-CG 4.11Å; L594-L596 HydrophobicContact CG-CD1 4.32Å; L594-L596 HydrophobicContact CG-CD2 3.9Å; L594-L596 HydrophobicContact CG-CG 3.88Å
595V95.3Very high91.8Very high1 Ų116.7 Ų16.71%0.00610%0.095CC..EExtended strand (participates in β ladder)trans-95.9128.7173.6-172.30000108.5G359 W360 L413 W577 L587 V593 F597G359-V595 CarbonylContact C-O 3.57Å; G359-V595 VanDerWaalsContact CA-O 3.24Å; G359-V595 WeakPolarHBondContact CA-O 3.3Å; W360-V595 HydrophobicContact CE3-CG2 4.12Å; W360-V595 PolarHBondContact N-O 2.96Å; W360-V595 PolarHBondContact O-N 3.3Å; L413-V595 HydrophobicContact CB-CG2 4.48Å; L413-V595 HydrophobicContact CD2-CG1 4.31Å; L413-V595 HydrophobicContact CD2-CG2 4.49Å; L413-V595 HydrophobicContact CG-CG1 4.43Å; L413-V595 CarbonylContact O-C 3.29Å; L413-V595 WeakPolarHBondContact O-CA 3.49Å; W577-V595 HydrophobicContact CZ3-CG1 4.02Å; L587-V595 HydrophobicContact CD2-CG2 4.05Å; V593-V595 HydrophobicContact CG1-CG2 4.05Å; V593-V595 HydrophobicContact CG2-CG2 3.94Å; V595-F597 HydrophobicContact CG1-CD2 4.14Å; V595-F597 HydrophobicContact CG1-CE2 3.4Å; V595-F597 HydrophobicContact CG1-CZ 3.79Å
596L95.9Very high91.8Very high0 Ų016.3 Ų16.30%09%0.092CC..EExtended strand (participates in β ladder)trans-126131-179.7-62.8175.8000110.7V357 L358 V398 F401 A402 V412 L413 V414 V415 L594V357-L596 HydrophobicContact CG1-CB 4.38Å; V357-L596 HydrophobicContact CG1-CD2 4.05Å; L358-L596 CarbonylContact O-C 3.53Å; L358-L596 WeakPolarHBondContact O-CA 3.5Å; V398-L596 HydrophobicContact CB-CD1 4.29Å; V398-L596 HydrophobicContact CG1-CB 4.44Å; V398-L596 WeakPolarHBondContact O-CD1 3.41Å; F401-L596 HydrophobicContact CB-CD1 4.09Å; F401-L596 HydrophobicContact CB-CD2 3.81Å; F401-L596 HydrophobicContact CD2-CD2 4.46Å; F401-L596 HydrophobicContact CG-CD2 4.25Å; A402-L596 HydrophobicContact CB-CD1 3.9Å; V412-L596 HydrophobicContact CG2-CD1 4.34Å; L413-L596 PolarHBondContact O-N 2.99Å; V414-L596 HydrophobicContact CG1-CB 4.4Å; V414-L596 HydrophobicContact CG2-CD1 4.29Å; V415-L596 PolarHBondContact N-O 2.89Å; L594-L596 HydrophobicContact CD1-CD2 3.77Å; L594-L596 HydrophobicContact CD1-CG 4.29Å; L594-L596 HydrophobicContact CD2-CD1 4.02Å; L594-L596 HydrophobicContact CD2-CD2 4.08Å; L594-L596 HydrophobicContact CD2-CG 4.11Å; L594-L596 HydrophobicContact CG-CD1 4.32Å; L594-L596 HydrophobicContact CG-CD2 3.9Å; L594-L596 HydrophobicContact CG-CG 3.88Å
597F95.3Very high91.3Very high1 Ų116.9 Ų16.90%0.00410%0.097CC..EExtended strand (participates in β ladder)trans-118.6117.1172.2-60.6-92.2000110.2V357 L358 V415 W577 V595 E602 A603 Y606V357-F597 WeakPolarHBondContact CA-O 3.45Å; V357-F597 WeakPolarHBondContact CG1-O 3.4Å; L358-F597 HydrophobicContact CB-CB 4.29Å; L358-F597 HydrophobicContact CD2-CD2 4.17Å; L358-F597 PolarHBondContact N-O 3.5Å; L358-F597 PolarHBondContact O-N 3.43Å; V415-F597 HydrophobicContact CB-CD1 3.85Å; V415-F597 HydrophobicContact CB-CE1 4.01Å; V415-F597 HydrophobicContact CG1-CD1 4.08Å; V415-F597 HydrophobicContact CG1-CE1 4.2Å; V415-F597 HydrophobicContact CG2-CE1 4.33Å; V415-F597 WeakPolarHBondContact O-CA 3.41Å; W577-F597 HydrophobicContact CB-CE1 4.1Å; W577-F597 AromaticContact CD2-CE1 3.85Å; W577-F597 HydrophobicContact CD2-CE1 3.85Å; W577-F597 AromaticContact CD2-CZ 3.83Å; W577-F597 HydrophobicContact CD2-CZ 3.83Å; W577-F597 AromaticContact CE3-CE1 3.41Å; W577-F597 HydrophobicContact CE3-CE1 3.41Å; W577-F597 VanDerWaalsContact CE3-CE1 3.41Å; W577-F597 AromaticContact CE3-CZ 3.32Å; W577-F597 HydrophobicContact CE3-CZ 3.32Å; W577-F597 HydrophobicContact CG-CE1 4.13Å; W577-F597 HydrophobicContact CG-CZ 4.47Å; W577-F597 HydrophobicContact CH2-CZ 4.33Å; W577-F597 HydrophobicContact CZ3-CE1 4.13Å; W577-F597 AromaticContact CZ3-CZ 3.59Å; W577-F597 HydrophobicContact CZ3-CZ 3.59Å; V595-F597 HydrophobicContact CG1-CD2 4.14Å; V595-F597 HydrophobicContact CG1-CE2 3.4Å; V595-F597 HydrophobicContact CG1-CZ 3.79Å; F597-E602 HydrophobicContact CD1-CB 4.27Å; F597-A603 HydrophobicContact CB-CB 3.75Å; F597-A603 HydrophobicContact CD1-CB 4.23Å; F597-A603 HydrophobicContact CD2-CB 4.36Å; F597-A603 HydrophobicContact CG-CB 3.88Å; F597-Y606 HydrophobicContact CE1-CG 4.44Å; F597-Y606 AromaticContact CE2-CD1 3.72Å; F597-Y606 HydrophobicContact CE2-CD1 3.72Å; F597-Y606 HydrophobicContact CE2-CD2 4.26Å; F597-Y606 HydrophobicContact CE2-CE1 4.23Å; F597-Y606 AromaticContact CE2-CG 3.73Å; F597-Y606 HydrophobicContact CE2-CG 3.73Å; F597-Y606 VanDerWaalsContact CZ-CB 3.44Å; F597-Y606 AromaticContact CZ-CD1 3.98Å; F597-Y606 HydrophobicContact CZ-CD1 3.98Å; F597-Y606 AromaticContact CZ-CD2 3.9Å; F597-Y606 HydrophobicContact CZ-CD2 3.9Å; F597-Y606 AromaticContact CZ-CG 3.48Å; F597-Y606 HydrophobicContact CZ-CG 3.48Å; F597-Y606 VanDerWaalsContact CZ-CG 3.48Å
598D92.8Very high91Very high51 Ų5116.4 Ų16.427%0.27310%0.096SC..SBendtrans-85.6-23.7167-168.677.5000111.7V398 V415 I420V398-D598 HydrophobicContact CG1-CB 3.77Å; V415-D598 PolarHBondContact O-N 3.49Å; V415-D598 VanDerWaalsContact O-N 3.08Å; I420-D598 HydrophobicContact CD1-CB 3.47Å; I420-D598 VanDerWaalsContact CD1-CB 3.47Å; I420-D598 VanDerWaalsContact CG2-OD2 3.25Å; I420-D598 WeakPolarHBondContact CG2-OD2 3.37Å
599D93.6Very high91Very high4 Ų412.5 Ų12.52%0.0217%0.07CC..  trans-97.7111179.3-163.5-47.4000110.6N417 L601 E602 A603 K720N417-D599 PolarHBondContact ND2-OD2 3.03Å; N417-D599 PolarHBondContact OD1-OD2 3.29Å; D599-L601 VanDerWaalsContact C-N 3.27Å; D599-L601 PolarHBondContact O-N 3.33Å; D599-L601 WeakPolarHBondContact OD1-CB 3.48Å; D599-L601 PolarHBondContact OD1-N 3.21Å; D599-E602 HydrophobicContact CB-CB 3.99Å; D599-E602 HydrophobicContact CB-CG 3.73Å; D599-E602 PolarHBondContact O-N 2.99Å; D599-E602 PolarHBondContact OD1-N 3.16Å; D599-A603 PolarHBondContact O-N 3.06Å; D599-K720 WeakPolarHBondContact OD2-CD 3.37Å; D599-K720 VanDerWaalsContact OD2-CE 3.24Å; D599-K720 WeakPolarHBondContact OD2-CE 3.36Å; D599-K720 IonicContact OD2-NZ 3.11Å; D599-K720 PolarHBondContact OD2-NZ 3.19Å
600A93.6Very high90.9Very high3 Ų313.8 Ų13.83%0.0258%0.076CC..Hα-helixtrans-68.5-24.4-175.700000113.8S604 F723 S724 Y727A600-S604 PolarHBondContact O-N 3.23Å; A600-S604 VanDerWaalsContact O-N 3.12Å; A600-S604 PolarHBondContact O-OG 3.19Å; A600-F723 HydrophobicContact CB-CB 4.02Å; A600-F723 WeakPolarHBondContact O-CB 3.45Å; A600-S724 VanDerWaalsContact CB-N 3.34Å; A600-Y727 WeakPolarHBondContact CA-OH 3.37Å; A600-Y727 HydrophobicContact CB-CE1 3.74Å; A600-Y727 WeakPolarHBondContact CB-OH 3.24Å
601L94.5Very high90.9Very high5 Ų513.8 Ų13.83%0.0268%0.076CC..Hα-helixtrans-72.5-43.4174.617759.5000110.1D599 A603 S604 V605 W716 K720 F723 F759D599-L601 VanDerWaalsContact C-N 3.27Å; D599-L601 PolarHBondContact O-N 3.33Å; D599-L601 WeakPolarHBondContact OD1-CB 3.48Å; D599-L601 PolarHBondContact OD1-N 3.21Å; L601-A603 VanDerWaalsContact C-N 3.32Å; L601-A603 PolarHBondContact O-N 3.39Å; L601-S604 WeakPolarHBondContact O-CB 3.45Å; L601-S604 PolarHBondContact O-N 3.24Å; L601-V605 PolarHBondContact O-N 2.79Å; L601-V605 VanDerWaalsContact O-N 3.16Å; L601-W716 HydrophobicContact CD2-CH2 4.26Å; L601-W716 HydrophobicContact CD2-CZ2 3.93Å; L601-K720 HydrophobicContact CB-CB 4.02Å; L601-K720 HydrophobicContact CB-CD 4.22Å; L601-K720 HydrophobicContact CB-CG 3.91Å; L601-K720 HydrophobicContact CD2-CD 4.12Å; L601-K720 HydrophobicContact CD2-CG 3.82Å; L601-F723 HydrophobicContact CB-CD2 4.23Å; L601-F723 HydrophobicContact CB-CG 4.39Å; L601-F723 HydrophobicContact CD1-CD1 3.91Å; L601-F723 HydrophobicContact CD1-CD2 3.91Å; L601-F723 HydrophobicContact CD1-CE1 3.7Å; L601-F723 HydrophobicContact CD1-CE2 3.71Å; L601-F723 HydrophobicContact CD1-CG 4.01Å; L601-F723 HydrophobicContact CD1-CZ 3.61Å; L601-F759 HydrophobicContact CD1-CE1 4.13Å; L601-F759 HydrophobicContact CD1-CE2 4.11Å; L601-F759 HydrophobicContact CD1-CZ 3.64Å; L601-F759 HydrophobicContact CD2-CD2 3.64Å; L601-F759 HydrophobicContact CD2-CE1 4.33Å; L601-F759 HydrophobicContact CD2-CE2 3.41Å; L601-F759 VanDerWaalsContact CD2-CE2 3.41Å; L601-F759 HydrophobicContact CD2-CG 4.19Å; L601-F759 HydrophobicContact CD2-CZ 3.77Å; L601-F759 HydrophobicContact CG-CD2 4.18Å; L601-F759 HydrophobicContact CG-CE1 4.3Å; L601-F759 HydrophobicContact CG-CE2 3.41Å; L601-F759 VanDerWaalsContact CG-CE2 3.41Å; L601-F759 HydrophobicContact CG-CZ 3.47Å; L601-F759 VanDerWaalsContact CG-CZ 3.47Å
602E94Very high91.3Very high13 Ų1312.3 Ų12.36%0.0617%0.065CC..Hα-helixtrans-62.5-39.5173.7-61.1-64.2147.400111.8V415 I576 W577 F597 D599 S604 V605 Y606 H763V415-E602 HydrophobicContact CG1-CB 4.28Å; I576-E602 WeakPolarHBondContact CA-OE2 3.16Å; I576-E602 WeakPolarHBondContact CG2-OE2 3.43Å; W577-E602 PolarHBondContact N-OE2 3.47Å; F597-E602 HydrophobicContact CD1-CB 4.27Å; D599-E602 HydrophobicContact CB-CB 3.99Å; D599-E602 HydrophobicContact CB-CG 3.73Å; D599-E602 PolarHBondContact O-N 2.99Å; D599-E602 PolarHBondContact OD1-N 3.16Å; E602-S604 PolarHBondContact O-N 2.9Å; E602-V605 WeakPolarHBondContact O-CB 3.29Å; E602-V605 PolarHBondContact O-N 2.78Å; E602-Y606 PolarHBondContact O-N 3.22Å; E602-H763 IonicContact OE1-CE1 2.99Å; E602-H763 IonicContact OE1-NE2 2.63Å; E602-H763 PolarHBondContact OE1-NE2 3.02Å; E602-H763 IonicContact OE2-CE1 3.83Å; E602-H763 PolarHBondContact OE2-CE1 2.68Å; E602-H763 IonicContact OE2-NE2 3.24Å; E602-H763 PolarHBondContact OE2-NE2 3.12Å; E602-H763 VanDerWaalsContact OE2-NE2 3.13Å
603A92.3Very high91.8Very high0 Ų011.9 Ų11.90%06%0.064CC..Hα-helixtrans-60.8-31.3172.900000112.9L358 F597 D599 L601 Y606 G607 Y727L358-A603 HydrophobicContact CB-CB 4.37Å; L358-A603 HydrophobicContact CD2-CB 3.76Å; F597-A603 HydrophobicContact CB-CB 3.75Å; F597-A603 HydrophobicContact CD1-CB 4.23Å; F597-A603 HydrophobicContact CD2-CB 4.36Å; F597-A603 HydrophobicContact CG-CB 3.88Å; D599-A603 PolarHBondContact O-N 3.06Å; L601-A603 VanDerWaalsContact C-N 3.32Å; L601-A603 PolarHBondContact O-N 3.39Å; A603-Y606 WeakPolarHBondContact O-CB 3.42Å; A603-G607 PolarHBondContact O-N 2.87Å; A603-Y727 HydrophobicContact CB-CE1 3.91Å
604S91.4Very high91.8Very high3 Ų314.2 Ų14.22%0.0217%0.072CC..Hα-helixtrans-75.2-32.1177.9-62.70000112.3A600 L601 E602 G607 G608 V609 F723A600-S604 PolarHBondContact O-N 3.23Å; A600-S604 VanDerWaalsContact O-N 3.12Å; A600-S604 PolarHBondContact O-OG 3.19Å; L601-S604 WeakPolarHBondContact O-CB 3.45Å; L601-S604 PolarHBondContact O-N 3.24Å; E602-S604 PolarHBondContact O-N 2.9Å; S604-G607 CarbonylContact O-C 3.6Å; S604-G607 PolarHBondContact O-N 3.19Å; S604-G608 PolarHBondContact O-N 2.91Å; S604-V609 PolarHBondContact O-N 2.97Å; S604-F723 WeakPolarHBondContact OG-CB 3.45Å; S604-F723 WeakPolarHBondContact OG-CD1 3.46Å
605V90.2Very high91.7Very high3 Ų315.7 Ų15.72%0.0188%0.081CC..Hα-helixtrans-64.2-49.5169.2179.60000110.1L340 L601 E602 G607 G608 F759L340-V605 HydrophobicContact CD2-CB 4.34Å; L340-V605 HydrophobicContact CD2-CG1 3.87Å; L340-V605 HydrophobicContact CD2-CG2 4.26Å; L601-V605 PolarHBondContact O-N 2.79Å; L601-V605 VanDerWaalsContact O-N 3.16Å; E602-V605 WeakPolarHBondContact O-CB 3.29Å; E602-V605 PolarHBondContact O-N 2.78Å; V605-G607 PolarHBondContact O-N 2.88Å; V605-G608 PolarHBondContact O-N 3.47Å; V605-F759 HydrophobicContact CG2-CE1 4.26Å; V605-F759 HydrophobicContact CG2-CE2 4.24Å; V605-F759 HydrophobicContact CG2-CZ 3.45Å; V605-F759 VanDerWaalsContact CG2-CZ 3.45Å
606Y88.6Confident91.5Very high49 Ų4915.7 Ų15.719%0.1928%0.081CC..Hα-helixtrans-53.1-39.4172.8165.9-104.7000111.9W577 F597 E602 A603W577-Y606 HydrophobicContact CD2-CD2 4.31Å; W577-Y606 AromaticContact CE2-CD2 3.66Å; W577-Y606 AromaticContact CH2-CD2 3.81Å; W577-Y606 HydrophobicContact CH2-CD2 3.81Å; W577-Y606 HydrophobicContact CH2-CE2 4.14Å; W577-Y606 AromaticContact CZ2-CD2 3.41Å; W577-Y606 HydrophobicContact CZ2-CD2 3.41Å; W577-Y606 VanDerWaalsContact CZ2-CD2 3.41Å; W577-Y606 HydrophobicContact CZ2-CE2 4.01Å; W577-Y606 HydrophobicContact CZ2-CG 4.45Å; W577-Y606 HydrophobicContact CZ3-CD2 4.4Å; F597-Y606 HydrophobicContact CE1-CG 4.44Å; F597-Y606 AromaticContact CE2-CD1 3.72Å; F597-Y606 HydrophobicContact CE2-CD1 3.72Å; F597-Y606 HydrophobicContact CE2-CD2 4.26Å; F597-Y606 HydrophobicContact CE2-CE1 4.23Å; F597-Y606 AromaticContact CE2-CG 3.73Å; F597-Y606 HydrophobicContact CE2-CG 3.73Å; F597-Y606 VanDerWaalsContact CZ-CB 3.44Å; F597-Y606 AromaticContact CZ-CD1 3.98Å; F597-Y606 HydrophobicContact CZ-CD1 3.98Å; F597-Y606 AromaticContact CZ-CD2 3.9Å; F597-Y606 HydrophobicContact CZ-CD2 3.9Å; F597-Y606 AromaticContact CZ-CG 3.48Å; F597-Y606 HydrophobicContact CZ-CG 3.48Å; F597-Y606 VanDerWaalsContact CZ-CG 3.48Å; E602-Y606 PolarHBondContact O-N 3.22Å; A603-Y606 WeakPolarHBondContact O-CB 3.42Å
607G83.7Confident91Very high11 Ų1118 Ų1811%0.11310%0.101CC..THydrogen-bonded Turntrans-76-10.7178.700000117.3A603 S604 V605 V609 V738A603-G607 PolarHBondContact O-N 2.87Å; S604-G607 CarbonylContact O-C 3.6Å; S604-G607 PolarHBondContact O-N 3.19Å; V605-G607 PolarHBondContact O-N 2.88Å; G607-V609 VanDerWaalsContact C-N 3.33Å; G607-V609 PolarHBondContact O-N 3.49Å; G607-V738 WeakPolarHBondContact O-CB 3.49Å; G607-V738 WeakPolarHBondContact O-CG2 3.23Å
608G85.2Confident90.7Very high5 Ų523 Ų235%0.05213%0.127CC..THydrogen-bonded Turntrans65.430.7-173.800000114.9L340 S604 V605L340-G608 VanDerWaalsContact O-CA 3.25Å; L340-G608 WeakPolarHBondContact O-CA 3.49Å; S604-G608 PolarHBondContact O-N 2.91Å; V605-G608 PolarHBondContact O-N 3.47Å
609V88.4Confident90.4Very high2 Ų223.9 Ų23.91%0.01213%0.129CC..  trans-67.3129.5172172.50000109L340 S604 G607 F726 G739L340-V609 VanDerWaalsContact CB-O 3.23Å; L340-V609 WeakPolarHBondContact CB-O 3.25Å; L340-V609 WeakPolarHBondContact CD1-O 3.34Å; S604-V609 PolarHBondContact O-N 2.97Å; G607-V609 VanDerWaalsContact C-N 3.33Å; G607-V609 PolarHBondContact O-N 3.49Å; V609-F726 HydrophobicContact CG1-CD2 3.98Å; V609-F726 HydrophobicContact CG1-CE1 4.35Å; V609-F726 HydrophobicContact CG1-CE2 3.62Å; V609-F726 HydrophobicContact CG1-CG 4.49Å; V609-F726 HydrophobicContact CG1-CZ 3.82Å; V609-F726 HydrophobicContact CG2-CB 4.26Å; V609-F726 HydrophobicContact CG2-CD1 4.33Å; V609-F726 HydrophobicContact CG2-CD2 4.12Å; V609-F726 HydrophobicContact CG2-CG 4Å; V609-G739 CarbonylContact C-O 3.39Å; V609-G739 WeakPolarHBondContact CA-O 3.39Å
610Q89.1Confident90.1Very high49 Ų4928.1 Ų28.123%0.22916%0.157CC..EExtended strand (participates in β ladder)trans-75.2138.9178.6-66.9176.9-8.500111.5P737 G739 Q740 S741Q610-P737 HydrophobicContact CG-CB 4.49Å; Q610-G739 PolarHBondContact N-O 3.1Å; Q610-Q740 HydrophobicContact CB-CB 4.49Å; Q610-Q740 HydrophobicContact CB-CG 4.24Å; Q610-Q740 CarbonylContact O-C 3.54Å; Q610-S741 PolarHBondContact O-N 2.81Å
611L91.6Very high89.8Confident3 Ų331.8 Ų31.82%0.01617%0.174CC..EExtended strand (participates in β ladder)trans-115.1120.9176.8-176.662.3000110.1L340 F723 V743 L756 F759 Y760L340-L611 HydrophobicContact CD1-CB 4.16Å; L611-F723 HydrophobicContact CD1-CE1 4.45Å; L611-F723 HydrophobicContact CD1-CZ 4.1Å; L611-V743 HydrophobicContact CD1-CG2 3.96Å; L611-L756 HydrophobicContact CD2-CD2 4.46Å; L611-F759 HydrophobicContact CD2-CD1 4.32Å; L611-F759 HydrophobicContact CD2-CE1 4.12Å; L611-Y760 HydrophobicContact CD2-CD2 4.42Å; L611-Y760 HydrophobicContact CD2-CE2 3.56Å; L611-Y760 HydrophobicContact CG-CE2 4.21Å; L611-Y760 PolarHBondContact O-OH 2.9Å
612D91.3Very high89.6Confident20 Ų2031.6 Ų31.611%0.10717%0.173CC..EExtended strand (participates in β ladder)trans-118.2133.7176.1-179.623.1000109.2R614 S741 V742 V743D612-R614 IonicContact OD2-CZ 3.88Å; D612-R614 IonicContact OD2-NE 3.47Å; D612-R614 PolarHBondContact OD2-NE 2.76Å; D612-R614 IonicContact OD2-NH2 2.68Å; D612-R614 PolarHBondContact OD2-NH2 2.82Å; D612-R614 VanDerWaalsContact OD2-NH2 3.14Å; D612-S741 PolarHBondContact N-O 3.04Å; D612-V742 HydrophobicContact CB-CG2 4.23Å; D612-V742 CarbonylContact O-C 3.55Å; D612-V742 WeakPolarHBondContact O-CA 3.08Å; D612-V743 PolarHBondContact O-N 3.13Å
613V93.4Very high89.3Confident23 Ų2332 Ų3214%0.13918%0.175CC..EExtended strand (participates in β ladder)trans-123.7116.6178.5-176.40000108.2V743 A745 L756 Y760 L771V613-V743 HydrophobicContact CG1-CB 4.46Å; V613-V743 HydrophobicContact CG2-CB 4.27Å; V613-A745 HydrophobicContact CG1-CB 4.16Å; V613-L756 HydrophobicContact CG1-CD1 4.3Å; V613-L756 HydrophobicContact CG2-CD1 4.16Å; V613-Y760 HydrophobicContact CG2-CE2 4.28Å; V613-L771 HydrophobicContact CB-CD1 4.31Å; V613-L771 HydrophobicContact CG1-CD1 4.05Å; V613-L771 HydrophobicContact CG1-CD2 4.15Å
614R93.1Very high89Confident52 Ų5236.8 Ų36.820%0.19620%0.197CC..EExtended strand (participates in β ladder)trans-108.5117.6177.7-51.9-168.1-170.7178.7-7.8109.1D612 V616 V742 V743 F744 A745D612-R614 IonicContact OD2-CZ 3.88Å; D612-R614 IonicContact OD2-NE 3.47Å; D612-R614 PolarHBondContact OD2-NE 2.76Å; D612-R614 IonicContact OD2-NH2 2.68Å; D612-R614 PolarHBondContact OD2-NH2 2.82Å; D612-R614 VanDerWaalsContact OD2-NH2 3.14Å; R614-V616 HydrophobicContact CB-CG2 4.22Å; R614-V742 HydrophobicContact CG-CG1 4.29Å; R614-V743 PolarHBondContact N-O 3.12Å; R614-F744 HydrophobicContact CB-CD1 4.05Å; R614-F744 HydrophobicContact CB-CE1 4.35Å; R614-F744 HydrophobicContact CG-CE1 4.47Å; R614-F744 WeakPolarHBondContact O-CA 3.41Å; R614-A745 PolarHBondContact O-N 2.85Å
615V92.6Very high88.9Confident32 Ų3239.3 Ų39.319%0.19421%0.209CC..EExtended strand (participates in β ladder)trans-84.8119.6175-178.10000108.3A745 P747 L771 I774V615-A745 CarbonylContact C-O 3.55Å; V615-A745 VanDerWaalsContact CA-O 3.24Å; V615-A745 WeakPolarHBondContact CA-O 3.29Å; V615-P747 HydrophobicContact CG1-CG 3.75Å; V615-L771 HydrophobicContact CG2-CD2 3.36Å; V615-I774 HydrophobicContact CB-CD1 4.28Å; V615-I774 HydrophobicContact CG1-CD1 3.7Å; V615-I774 HydrophobicContact CG2-CD1 3.74Å
616V91.5Very high88.8Confident1 Ų139.1 Ų39.11%0.00621%0.208CC..  trans-138.1121.1-175.3-1700000108.3R614 E621 K622 A745R614-V616 HydrophobicContact CB-CG2 4.22Å; V616-E621 HydrophobicContact CG1-CB 3.6Å; V616-E621 HydrophobicContact CG1-CG 3.63Å; V616-E621 WeakPolarHBondContact CG1-OE2 3.39Å; V616-K622 HydrophobicContact CB-CG 3.76Å; V616-K622 HydrophobicContact CG1-CB 4.24Å; V616-K622 HydrophobicContact CG1-CG 3.49Å; V616-K622 VanDerWaalsContact CG1-CG 3.49Å; V616-K622 HydrophobicContact CG2-CG 4.42Å; V616-A745 PolarHBondContact N-O 2.87Å
617A85.8Confident88.6Confident49 Ų4940 Ų4041%0.40521%0.213SC..  trans-78.7-46.7-176.400000111.5P747A617-P747 HydrophobicContact CB-CG 4.37Å
618D87.1Confident88.6Confident104 Ų10442.2 Ų42.256%0.55623%0.23SC*.SBendtrans-106.4146-167.9-61.9-48.9000113E621 K622D618-E621 HydrophobicContact CB-CB 4.5Å; D618-E621 PolarHBondContact O-N 3.43Å; D618-K622 PolarHBondContact O-N 3.02Å; D618-K622 VanDerWaalsContact O-N 3.1Å
619E86.6Confident88.6Confident70 Ų7042 Ų4233%0.32723%0.227SC..Hα-helixtrans-61.9-41.7178.7-69.6-60.6143.800113.7E621 K622 I623 Y710 K746E619-E621 VanDerWaalsContact C-N 3.27Å; E619-E621 PolarHBondContact O-N 3.14Å; E619-K622 WeakPolarHBondContact O-CB 3.37Å; E619-K622 PolarHBondContact O-N 3.44Å; E619-K622 VanDerWaalsContact O-N 3.16Å; E619-K622 IonicContact OE1-NZ 2.76Å; E619-I623 WeakPolarHBondContact O-CG1 3.39Å; E619-I623 PolarHBondContact O-N 3.43Å; E619-I623 VanDerWaalsContact O-N 3.08Å; E619-Y710 PolarHBondContact OE2-OH 3.27Å; E619-K746 WeakPolarHBondContact OE1-CE 3.38Å; E619-K746 IonicContact OE1-NZ 3.54Å; E619-K746 PolarHBondContact OE1-NZ 3.29Å
620P87.3Confident88.2Confident94 Ų9443.1 Ų43.161%0.6123%0.233SC*.Hα-helixtrans-57.7-40.4174.7-25.735.8000112.8K622 I623 E624P620-K622 PolarHBondContact O-N 3.01Å; P620-I623 PolarHBondContact O-N 2.92Å; P620-E624 PolarHBondContact O-N 2.87Å
621E88.3Confident87.6Confident80 Ų8043.2 Ų43.237%0.37424%0.242SC..Hα-helixtrans-66.5-37.6178.1-170.4-174.7-169.400111.5V616 D618 E619 I623 E624 H625V616-E621 HydrophobicContact CG1-CB 3.6Å; V616-E621 HydrophobicContact CG1-CG 3.63Å; V616-E621 WeakPolarHBondContact CG1-OE2 3.39Å; D618-E621 HydrophobicContact CB-CB 4.5Å; D618-E621 PolarHBondContact O-N 3.43Å; E619-E621 VanDerWaalsContact C-N 3.27Å; E619-E621 PolarHBondContact O-N 3.14Å; E621-I623 VanDerWaalsContact C-N 3.3Å; E621-I623 PolarHBondContact O-N 3.49Å; E621-E624 PolarHBondContact O-N 3.04Å; E621-H625 PolarHBondContact O-N 2.94Å; E621-H625 PolarHBondContact O-ND1 2.9Å; E621-H625 IonicContact OE1-CE1 3.14Å
622K89.4Confident86.9Confident1 Ų148.3 Ų48.30%0.00427%0.266CS..Hα-helixtrans-59.9-41.9173.2-75.6-171.6175.1-168.70111.4V616 D618 E619 P620 H625 L626 Y710 F744V616-K622 HydrophobicContact CB-CG 3.76Å; V616-K622 HydrophobicContact CG1-CB 4.24Å; V616-K622 HydrophobicContact CG1-CG 3.49Å; V616-K622 VanDerWaalsContact CG1-CG 3.49Å; V616-K622 HydrophobicContact CG2-CG 4.42Å; D618-K622 PolarHBondContact O-N 3.02Å; D618-K622 VanDerWaalsContact O-N 3.1Å; E619-K622 WeakPolarHBondContact O-CB 3.37Å; E619-K622 PolarHBondContact O-N 3.44Å; E619-K622 VanDerWaalsContact O-N 3.16Å; E619-K622 IonicContact OE1-NZ 2.76Å; P620-K622 PolarHBondContact O-N 3.01Å; K622-H625 PolarHBondContact O-N 2.98Å; K622-L626 VanDerWaalsContact O-CB 3.28Å; K622-L626 WeakPolarHBondContact O-CB 3.12Å; K622-L626 PolarHBondContact O-N 3.43Å; K622-Y710 HydrophobicContact CB-CE2 4.4Å; K622-Y710 HydrophobicContact CD-CE1 4.47Å; K622-Y710 PolarHBondContact NZ-O 3.13Å; K622-F744 HydrophobicContact CB-CD2 4.36Å; K622-F744 HydrophobicContact CD-CB 4.43Å; K622-F744 HydrophobicContact CD-CD2 4.37Å; K622-F744 HydrophobicContact CG-CD2 4.31Å
623I88.1Confident85.9Confident21 Ų2150.7 Ų50.711%0.10827%0.273CS..Hα-helixtrans-65.6-40177.2-61.8-61.1000111.1E619 P620 E621 L626 K627 L654 I661 Y710E619-I623 WeakPolarHBondContact O-CG1 3.39Å; E619-I623 PolarHBondContact O-N 3.43Å; E619-I623 VanDerWaalsContact O-N 3.08Å; P620-I623 PolarHBondContact O-N 2.92Å; E621-I623 VanDerWaalsContact C-N 3.3Å; E621-I623 PolarHBondContact O-N 3.49Å; I623-L626 WeakPolarHBondContact O-CB 3.38Å; I623-L626 PolarHBondContact O-N 3.41Å; I623-K627 WeakPolarHBondContact O-CG 3.42Å; I623-K627 PolarHBondContact O-N 3.33Å; I623-L654 HydrophobicContact CD1-CD1 3.46Å; I623-L654 VanDerWaalsContact CD1-CD1 3.46Å; I623-I661 HydrophobicContact CG2-CD1 4.18Å; I623-Y710 HydrophobicContact CD1-CE2 4.4Å
624E87.3Confident84.6Confident100 Ų10056.3 Ų56.347%0.46729%0.292SS..Hα-helixtrans-65-42.4174.7-68.5-51.4124.600112.4P620 E621 L626 K627 A628P620-E624 PolarHBondContact O-N 2.87Å; E621-E624 PolarHBondContact O-N 3.04Å; E624-L626 VanDerWaalsContact C-N 3.27Å; E624-L626 PolarHBondContact O-N 3.2Å; E624-K627 WeakPolarHBondContact O-CB 3.15Å; E624-K627 PolarHBondContact O-N 3Å; E624-K627 IonicContact OE1-NZ 3.29Å; E624-K627 PolarHBondContact OE1-NZ 3.07Å; E624-K627 IonicContact OE2-NZ 2.68Å; E624-A628 PolarHBondContact O-N 2.67Å
625H87.7Confident82.8Confident56 Ų5660 Ų6026%0.25932%0.316SS..Hα-helixtrans-62.3-38.3174.8-79.650.7000111.9E621 K622 A628 L629 F744E621-H625 PolarHBondContact O-N 2.94Å; E621-H625 PolarHBondContact O-ND1 2.9Å; E621-H625 IonicContact OE1-CE1 3.14Å; K622-H625 PolarHBondContact O-N 2.98Å; H625-A628 PolarHBondContact O-N 3.42Å; H625-L629 WeakPolarHBondContact O-CB 3.21Å; H625-L629 PolarHBondContact O-N 3.49Å; H625-F744 HydrophobicContact CB-CE1 4.39Å; H625-F744 HydrophobicContact CB-CZ 4.13Å
626L88.4Confident80.7Confident0 Ų066.6 Ų66.60%034%0.342CS..Hα-helixtrans-66.4-42.3175.2178.857.3000112K622 I623 E624 L629 I630 M643 L654 L658 I708 F744K622-L626 VanDerWaalsContact O-CB 3.28Å; K622-L626 WeakPolarHBondContact O-CB 3.12Å; K622-L626 PolarHBondContact O-N 3.43Å; I623-L626 WeakPolarHBondContact O-CB 3.38Å; I623-L626 PolarHBondContact O-N 3.41Å; E624-L626 VanDerWaalsContact C-N 3.27Å; E624-L626 PolarHBondContact O-N 3.2Å; L626-L629 PolarHBondContact O-N 3.38Å; L626-I630 HydrophobicContact CD1-CD1 3.73Å; L626-I630 HydrophobicContact CD1-CG1 4.05Å; L626-I630 HydrophobicContact CG-CD1 3.82Å; L626-I630 WeakPolarHBondContact O-CB 3.46Å; L626-I630 VanDerWaalsContact O-CG1 3.26Å; L626-I630 WeakPolarHBondContact O-CG1 3.49Å; L626-I630 PolarHBondContact O-N 3.21Å; L626-M643 HydrophobicContact CD1-CE 3.26Å; L626-M643 HydrophobicContact CD2-CE 3.57Å; L626-M643 HydrophobicContact CD2-SD 4.47Å; L626-M643 HydrophobicContact CG-CE 4.04Å; L626-L654 HydrophobicContact CD2-CD1 4.39Å; L626-L658 HydrophobicContact CD2-CD2 3.7Å; L626-L658 HydrophobicContact CG-CD2 4.45Å; L626-I708 HydrophobicContact CD1-CD1 3.85Å; L626-F744 HydrophobicContact CB-CE2 4.24Å; L626-F744 HydrophobicContact CB-CZ 4.4Å
627K83.7Confident78.9Confident68 Ų6868.9 Ų68.930%0.29636%0.361SS..Hα-helixtrans-57.5-49.2173.4-77.5171.9-177.6173.70111.2I623 E624 L629 I630 A631 I661I623-K627 WeakPolarHBondContact O-CG 3.42Å; I623-K627 PolarHBondContact O-N 3.33Å; E624-K627 WeakPolarHBondContact O-CB 3.15Å; E624-K627 PolarHBondContact O-N 3Å; E624-K627 IonicContact OE1-NZ 3.29Å; E624-K627 PolarHBondContact OE1-NZ 3.07Å; E624-K627 IonicContact OE2-NZ 2.68Å; K627-L629 VanDerWaalsContact C-N 3.34Å; K627-L629 PolarHBondContact O-N 2.77Å; K627-I630 PolarHBondContact O-N 2.95Å; K627-A631 VanDerWaalsContact O-CB 3.25Å; K627-A631 WeakPolarHBondContact O-CB 3.39Å; K627-A631 PolarHBondContact O-N 3.03Å; K627-I661 HydrophobicContact CD-CD1 4.16Å; K627-I661 VanDerWaalsContact CE-CD1 3.47Å; K627-I661 VanDerWaalsContact CE-CG2 3.42Å; K627-I661 HydrophobicContact CG-CD1 3.63Å
628A85.5Confident77.8Confident56 Ų5671.4 Ų71.446%0.46337%0.368SS..Hα-helixtrans-59.1-46178.900000111.4E624 H625 I630 A631 E632E624-A628 PolarHBondContact O-N 2.67Å; H625-A628 PolarHBondContact O-N 3.42Å; A628-I630 PolarHBondContact O-N 2.72Å; A628-A631 PolarHBondContact O-N 2.89Å; A628-E632 WeakPolarHBondContact O-CB 3.21Å; A628-E632 PolarHBondContact O-N 2.71Å
629L84.9Confident77.1Confident0 Ų070.1 Ų70.10%036%0.358CS..Hα-helixtrans-61.4-44.3178.5-170.681000112.4H625 L626 K627 R633 L706 I708 V742H625-L629 WeakPolarHBondContact O-CB 3.21Å; H625-L629 PolarHBondContact O-N 3.49Å; L626-L629 PolarHBondContact O-N 3.38Å; K627-L629 VanDerWaalsContact C-N 3.34Å; K627-L629 PolarHBondContact O-N 2.77Å; L629-R633 WeakPolarHBondContact O-CB 3.3Å; L629-R633 VanDerWaalsContact O-CG 3.28Å; L629-R633 WeakPolarHBondContact O-CG 3.49Å; L629-R633 PolarHBondContact O-N 3.05Å; L629-L706 HydrophobicContact CD2-CD1 4.43Å; L629-L706 HydrophobicContact CD2-CD2 3.9Å; L629-L706 HydrophobicContact CG-CD2 4.21Å; L629-I708 HydrophobicContact CD2-CD1 3.53Å; L629-I708 HydrophobicContact CD2-CG1 3.8Å; L629-V742 HydrophobicContact CD1-CG2 4.01Å; L629-V742 HydrophobicContact CD2-CG2 4.32Å
630I78.9Confident76.9Confident26 Ų2668.1 Ų68.113%0.13335%0.352CS..Hα-helixtrans-68-42.5178.3-67.1168.3000110.6L626 K627 A628 R633 R634 V663L626-I630 HydrophobicContact CD1-CD1 3.73Å; L626-I630 HydrophobicContact CD1-CG1 4.05Å; L626-I630 HydrophobicContact CG-CD1 3.82Å; L626-I630 WeakPolarHBondContact O-CB 3.46Å; L626-I630 VanDerWaalsContact O-CG1 3.26Å; L626-I630 WeakPolarHBondContact O-CG1 3.49Å; L626-I630 PolarHBondContact O-N 3.21Å; K627-I630 PolarHBondContact O-N 2.95Å; A628-I630 PolarHBondContact O-N 2.72Å; I630-R633 PolarHBondContact O-N 3.22Å; I630-R634 HydrophobicContact CG2-CG 4.47Å; I630-R634 WeakPolarHBondContact O-CG 3.45Å; I630-R634 PolarHBondContact O-N 3.44Å; I630-V663 HydrophobicContact CD1-CG1 4.15Å; I630-V663 HydrophobicContact CD1-CG2 4.47Å
631A77.6Confident76.9Confident51 Ų5164.2 Ų64.242%0.42133%0.328SS..Hα-helixtrans-64.5-45.8-179.800000111.9K627 A628 R633 R634 N635K627-A631 VanDerWaalsContact O-CB 3.25Å; K627-A631 WeakPolarHBondContact O-CB 3.39Å; K627-A631 PolarHBondContact O-N 3.03Å; A628-A631 PolarHBondContact O-N 2.89Å; A631-R633 VanDerWaalsContact C-N 3.3Å; A631-R633 PolarHBondContact O-N 2.78Å; A631-R634 PolarHBondContact O-N 3.33Å; A631-N635 PolarHBondContact O-N 3.04Å; A631-N635 PolarHBondContact O-ND2 3.08Å
632E76Confident77.2Confident111 Ų11160.4 Ų60.452%0.51931%0.31SS..Hα-helixtrans-55.5-47174.9-175.3-178.9-174.800110.8A628 N635 F636A628-E632 WeakPolarHBondContact O-CB 3.21Å; A628-E632 PolarHBondContact O-N 2.71Å; E632-N635 WeakPolarHBondContact O-CB 3.31Å; E632-N635 PolarHBondContact O-N 3.17Å; E632-F636 VanDerWaalsContact O-CD2 3.22Å; E632-F636 WeakPolarHBondContact O-CD2 3.49Å
633R70.6Confident77.4Confident70 Ų7060.4 Ų60.426%0.26431%0.31SS..Hα-helixtrans-71.4-33.2-177.7-71.9-75.3-176.4175.2-5114.2L629 I630 A631 N635 F636 A637 E639 L706L629-R633 WeakPolarHBondContact O-CB 3.3Å; L629-R633 VanDerWaalsContact O-CG 3.28Å; L629-R633 WeakPolarHBondContact O-CG 3.49Å; L629-R633 PolarHBondContact O-N 3.05Å; I630-R633 PolarHBondContact O-N 3.22Å; A631-R633 VanDerWaalsContact C-N 3.3Å; A631-R633 PolarHBondContact O-N 2.78Å; R633-N635 PolarHBondContact O-N 3.28Å; R633-F636 PolarHBondContact O-N 2.9Å; R633-A637 PolarHBondContact O-N 2.94Å; R633-E639 IonicContact NH1-OE2 3.49Å; R633-E639 PolarHBondContact NH1-OE2 3.5Å; R633-L706 HydrophobicContact CG-CD2 4.3Å
634R65.4Low77.8Confident141 Ų14159.4 Ų59.453%0.53230%0.304SS..Hα-helixtrans-58.7-30.1173.9-82.2-178.1178.4-177.91.1112.1I630 A631 F636I630-R634 HydrophobicContact CG2-CG 4.47Å; I630-R634 WeakPolarHBondContact O-CG 3.45Å; I630-R634 PolarHBondContact O-N 3.44Å; A631-R634 PolarHBondContact O-N 3.33Å; R634-F636 VanDerWaalsContact C-N 3.31Å; R634-F636 PolarHBondContact O-N 3.45Å
635N55.1Low78.1Confident130 Ų13054.6 Ų54.670%0.69528%0.282SS*.THydrogen-bonded Turntrans-74.5-18.4-179.1-65.1-21.4000113.8A631 E632 R633A631-N635 PolarHBondContact O-N 3.04Å; A631-N635 PolarHBondContact O-ND2 3.08Å; E632-N635 WeakPolarHBondContact O-CB 3.31Å; E632-N635 PolarHBondContact O-N 3.17Å; R633-N635 PolarHBondContact O-N 3.28Å
636F49.9Very low78.2Confident169 Ų16954.2 Ų54.274%0.74129%0.286SS*.THydrogen-bonded Turntrans-112.5-28.9-170.4-70.3-75.2000115.8E632 R633 R634E632-F636 VanDerWaalsContact O-CD2 3.22Å; E632-F636 WeakPolarHBondContact O-CD2 3.49Å; R633-F636 PolarHBondContact O-N 2.9Å; R634-F636 VanDerWaalsContact C-N 3.31Å; R634-F636 PolarHBondContact O-N 3.45Å
637A53.6Low78.3Confident50 Ų5057.6 Ų57.641%0.41330%0.304SS..THydrogen-bonded Turntrans-163.63.9-174.600000120.3R633 E639R633-A637 PolarHBondContact O-N 2.94Å; A637-E639 HydrophobicContact CB-CB 4.31Å; A637-E639 VanDerWaalsContact CB-CD 3.47Å; A637-E639 HydrophobicContact CB-CG 3.52Å; A637-E639 WeakPolarHBondContact CB-OE1 3.47Å; A637-E639 PolarHBondContact O-N 3.43Å
638N63.1Low78.7Confident102 Ų10257.2 Ų57.255%0.54531%0.31SS..  trans4944.2-175.6-97.1-16.8000112.6P685 S686N638-P685 CarbonylContact O-C 3.51Å; N638-S686 WeakPolarHBondContact O-CA 3.41Å; N638-S686 VanDerWaalsContact O-CB 3.3Å; N638-S686 WeakPolarHBondContact O-CB 3.32Å; N638-S686 WeakPolarHBondContact OD1-CB 3.3Å; N638-S686 PolarHBondContact OD1-OG 3.05Å
639E72.5Confident79.1Confident76 Ų7658.8 Ų58.836%0.35531%0.314SS..  trans-89.2143.9-170.9-93.4175.2-172.300112.7R633 A637 P685 P705R633-E639 IonicContact NH1-OE2 3.49Å; R633-E639 PolarHBondContact NH1-OE2 3.5Å; A637-E639 HydrophobicContact CB-CB 4.31Å; A637-E639 VanDerWaalsContact CB-CD 3.47Å; A637-E639 HydrophobicContact CB-CG 3.52Å; A637-E639 WeakPolarHBondContact CB-OE1 3.47Å; A637-E639 PolarHBondContact O-N 3.43Å; E639-P685 CarbonylContact C-O 3.58Å; E639-P705 HydrophobicContact CB-CB 4.4Å; E639-P705 HydrophobicContact CB-CG 3.49Å; E639-P705 VanDerWaalsContact CB-CG 3.49Å; E639-P705 HydrophobicContact CG-CB 4.27Å; E639-P705 HydrophobicContact CG-CG 3.66Å; E639-P705 VanDerWaalsContact OE2-CB 3.27Å; E639-P705 WeakPolarHBondContact OE2-CB 3.39Å; E639-P705 WeakPolarHBondContact OE2-CG 3.36Å
640P81.6Confident79.5Confident28 Ų2860.3 Ų60.318%0.18232%0.321CS..  trans-73.4144.6-179.726.5-30.2000111.4W680 P685 P705P640-W680 HydrophobicContact CB-CH2 3.99Å; P640-W680 HydrophobicContact CB-CZ2 3.52Å; P640-P685 WeakPolarHBondContact CA-O 3.23Å; P640-P685 WeakPolarHBondContact CB-O 3.19Å; P640-P685 WeakPolarHBondContact CD-O 3.26Å; P640-P685 VanDerWaalsContact N-O 3.12Å; P640-P705 VanDerWaalsContact O-CD 3.22Å; P640-P705 WeakPolarHBondContact O-CD 3.42Å; P640-P705 WeakPolarHBondContact O-CG 3.46Å
641A88.1Confident80.2Confident13 Ų1359 Ų5911%0.10731%0.314CS..EExtended strand (participates in β ladder)trans-127.3141.1176.100000111.2G687 L688 L689 L706A641-G687 PolarHBondContact N-O 3.3Å; A641-L688 HydrophobicContact CB-CD1 3.78Å; A641-L689 PolarHBondContact O-N 3.48Å; A641-L706 HydrophobicContact CB-CB 4.14Å; A641-L706 HydrophobicContact CB-CD2 4.06Å; A641-L706 HydrophobicContact CB-CG 4.27Å
642V92.9Very high80.9Confident0 Ų061.1 Ų61.10%032%0.318CS..EExtended strand (participates in β ladder)trans-110.9132.2172.1-177.40000108.8W680 L689 V691 C701 I704 L706 L707 I708 L725V642-W680 HydrophobicContact CG2-CH2 3.71Å; V642-W680 HydrophobicContact CG2-CZ2 4.32Å; V642-W680 HydrophobicContact CG2-CZ3 4.45Å; V642-L689 HydrophobicContact CG2-CB 4.5Å; V642-L689 HydrophobicContact CG2-CD2 4.47Å; V642-V691 HydrophobicContact CG1-CG1 4.39Å; V642-V691 HydrophobicContact CG1-CG2 3.87Å; V642-C701 HydrophobicContact CG2-CB 4.41Å; V642-I704 HydrophobicContact CB-CD1 4.46Å; V642-I704 HydrophobicContact CG2-CD1 4.34Å; V642-I704 HydrophobicContact CG2-CG2 3.85Å; V642-L706 PolarHBondContact N-O 2.89Å; V642-L707 HydrophobicContact CB-CD1 4.31Å; V642-L707 HydrophobicContact CG1-CD1 4.39Å; V642-L707 CarbonylContact O-C 3.59Å; V642-L707 WeakPolarHBondContact O-CA 3.39Å; V642-I708 PolarHBondContact O-N 2.81Å; V642-L725 HydrophobicContact CB-CD1 4.44Å; V642-L725 HydrophobicContact CG1-CD1 3.88Å
643M94.6Very high81.7Confident0 Ų060.6 Ų60.60%032%0.318CS..EExtended strand (participates in β ladder)trans-120.3126.3176.3-179.6-176.5-67.100110.4L626 L654 L688 L689 L690 V691 I708 Y710L626-M643 HydrophobicContact CD1-CE 3.26Å; L626-M643 HydrophobicContact CD2-CE 3.57Å; L626-M643 HydrophobicContact CD2-SD 4.47Å; L626-M643 HydrophobicContact CG-CE 4.04Å; M643-L654 HydrophobicContact SD-CD2 3.31Å; M643-L654 WeakPolarHBondContact SD-CD2 3.48Å; M643-L654 HydrophobicContact SD-CG 4.44Å; M643-L688 HydrophobicContact CB-CD1 4.03Å; M643-L688 HydrophobicContact CE-CD1 4.22Å; M643-L688 HydrophobicContact CE-CD2 3.9Å; M643-L688 HydrophobicContact SD-CD2 4.45Å; M643-L689 PolarHBondContact N-O 2.88Å; M643-L690 HydrophobicContact CB-CD2 3.87Å; M643-L690 HydrophobicContact CG-CD2 4.14Å; M643-L690 WeakPolarHBondContact O-CA 3.37Å; M643-L690 HydrophobicContact SD-CD2 3.6Å; M643-L690 VanDerWaalsContact SD-CD2 3.6Å; M643-V691 PolarHBondContact O-N 3.14Å; M643-I708 CarbonylContact C-O 3.56Å; M643-I708 VanDerWaalsContact CA-O 3.28Å; M643-I708 WeakPolarHBondContact CA-O 3.41Å; M643-I708 HydrophobicContact CB-CB 4.16Å; M643-I708 HydrophobicContact CE-CB 4.16Å; M643-I708 HydrophobicContact CE-CD1 3.71Å; M643-I708 HydrophobicContact CE-CG2 3.96Å; M643-I708 HydrophobicContact CG-CB 4.06Å; M643-I708 HydrophobicContact CG-CG2 4.21Å; M643-Y710 HydrophobicContact SD-CD2 3.94Å; M643-Y710 HydrophobicContact SD-CG 4.29Å
644V96.3Very high82.7Confident0 Ų057.5 Ų57.50%031%0.307CS..EExtended strand (participates in β ladder)trans-104.8120.6-178.4-166.40000109.7V691 V696 L707 I708 Y710 R722 L725V644-V691 WeakPolarHBondContact CA-O 3.26Å; V644-V691 HydrophobicContact CB-CG2 4.24Å; V644-V691 HydrophobicContact CG1-CG2 4.23Å; V644-V691 HydrophobicContact CG2-CG2 3.77Å; V644-V696 HydrophobicContact CG1-CG2 4.34Å; V644-L707 HydrophobicContact CG2-CD1 3.78Å; V644-I708 PolarHBondContact N-O 2.83Å; V644-Y710 PolarHBondContact O-N 2.84Å; V644-Y710 VanDerWaalsContact O-N 3.11Å; V644-R722 HydrophobicContact CB-CG 4.49Å; V644-R722 HydrophobicContact CG1-CG 4.14Å; V644-R722 HydrophobicContact CG2-CG 4.31Å; V644-L725 HydrophobicContact CG2-CD1 4.46Å
645C94.5Very high83.9Confident0 Ų055.1 Ų55.10%030%0.298CS..EExtended strand (participates in β ladder)trans-100.6161.8172.8-61.90000110.4E650 V651 V691C645-E650 WeakPolarHBondContact CA-OE2 3.43Å; C645-E650 HydrophobicContact CB-CB 4.3Å; C645-E650 HydrophobicContact CB-CG 4.06Å; C645-E650 VanDerWaalsContact CB-OE2 3.28Å; C645-E650 WeakPolarHBondContact CB-OE2 3.43Å; C645-V651 HydrophobicContact CB-CG2 3.51Å; C645-V691 PolarHBondContact N-O 3.26Å
646S89.3Confident85.6Confident47 Ų4757 Ų5733%0.32930%0.295SS..SBendtrans-69.7-37.4178.962.10000113E650S646-E650 WeakPolarHBondContact CB-OE2 3.37Å; S646-E650 PolarHBondContact N-OE2 3Å; S646-E650 PolarHBondContact OG-OE2 3.03Å
647N90.4Very high87.5Confident71 Ų7151.6 Ų51.638%0.3828%0.278SS..SBendtrans-153.4169.7-176.663.464.1000112.6T649 E650 V651 T692N647-T649 VanDerWaalsContact C-N 3.35Å; N647-T649 PolarHBondContact O-N 2.85Å; N647-T649 WeakPolarHBondContact OD1-CB 3.34Å; N647-T649 PolarHBondContact OD1-N 3.38Å; N647-T649 VanDerWaalsContact OD1-N 3.1Å; N647-E650 PolarHBondContact O-N 2.75Å; N647-E650 PolarHBondContact OD1-N 3.09Å; N647-V651 WeakPolarHBondContact O-CG2 3.32Å; N647-V651 PolarHBondContact O-N 2.96Å; N647-T692 VanDerWaalsContact C-CG2 3.44Å
648S92.4Very high89.1Confident61 Ų6149.2 Ų49.243%0.42726%0.259SS..Hα-helixtrans-67.1-31.5-176.853.70000113.6V651 L652S648-V651 WeakPolarHBondContact O-CB 3.35Å; S648-V651 PolarHBondContact O-N 3.22Å; S648-L652 WeakPolarHBondContact O-CG 3.38Å; S648-L652 PolarHBondContact O-N 3.33Å; S648-L652 VanDerWaalsContact O-N 3.08Å
649T93.3Very high90.3Very high89 Ų8948.6 Ų48.655%0.54625%0.253SS..Hα-helixtrans-63.6-46.1176.1-54.80000111N647 V651 L652 L653N647-T649 VanDerWaalsContact C-N 3.35Å; N647-T649 PolarHBondContact O-N 2.85Å; N647-T649 WeakPolarHBondContact OD1-CB 3.34Å; N647-T649 PolarHBondContact OD1-N 3.38Å; N647-T649 VanDerWaalsContact OD1-N 3.1Å; T649-V651 VanDerWaalsContact C-N 3.3Å; T649-V651 PolarHBondContact O-N 3.25Å; T649-L652 PolarHBondContact O-N 3.26Å; T649-L653 HydrophobicContact CG2-CD1 4.29Å; T649-L653 WeakPolarHBondContact O-CG 3.25Å; T649-L653 PolarHBondContact O-N 2.89Å
650E93Very high91Very high31 Ų3149.2 Ų49.215%0.14527%0.271CS..Hα-helixtrans-59.5-41.8175.4-177.1175.7-129.700111.3C645 S646 N647 L652 L653 L654 Y710 S711C645-E650 WeakPolarHBondContact CA-OE2 3.43Å; C645-E650 HydrophobicContact CB-CB 4.3Å; C645-E650 HydrophobicContact CB-CG 4.06Å; C645-E650 VanDerWaalsContact CB-OE2 3.28Å; C645-E650 WeakPolarHBondContact CB-OE2 3.43Å; S646-E650 WeakPolarHBondContact CB-OE2 3.37Å; S646-E650 PolarHBondContact N-OE2 3Å; S646-E650 PolarHBondContact OG-OE2 3.03Å; N647-E650 PolarHBondContact O-N 2.75Å; N647-E650 PolarHBondContact OD1-N 3.09Å; E650-L652 PolarHBondContact O-N 2.62Å; E650-L653 PolarHBondContact O-N 2.94Å; E650-L654 WeakPolarHBondContact O-CB 3.49Å; E650-L654 PolarHBondContact O-N 3.13Å; E650-Y710 HydrophobicContact CG-CD1 4.26Å; E650-Y710 HydrophobicContact CG-CE1 4.4Å; E650-Y710 WeakPolarHBondContact OE1-CD1 3.23Å; E650-S711 WeakPolarHBondContact OE1-CB 3.34Å; E650-S711 PolarHBondContact OE1-OG 3.44Å
651V94.3Very high90.9Very high0 Ų050.5 Ų50.50%028%0.275CS..Hα-helixtrans-58.8-44.5175.3171.20000111.9C645 N647 S648 T649 R655 I667 V669 L690 T692C645-V651 HydrophobicContact CB-CG2 3.51Å; N647-V651 WeakPolarHBondContact O-CG2 3.32Å; N647-V651 PolarHBondContact O-N 2.96Å; S648-V651 WeakPolarHBondContact O-CB 3.35Å; S648-V651 PolarHBondContact O-N 3.22Å; T649-V651 VanDerWaalsContact C-N 3.3Å; T649-V651 PolarHBondContact O-N 3.25Å; V651-R655 WeakPolarHBondContact O-CB 3.5Å; V651-R655 PolarHBondContact O-N 3.32Å; V651-I667 HydrophobicContact CG1-CB 4.45Å; V651-I667 HydrophobicContact CG1-CD1 3.81Å; V651-I667 HydrophobicContact CG1-CG1 3.99Å; V651-I667 HydrophobicContact CG1-CG2 3.71Å; V651-V669 HydrophobicContact CB-CG1 4.05Å; V651-V669 HydrophobicContact CG1-CG1 3.83Å; V651-V669 HydrophobicContact CG2-CG1 4.06Å; V651-L690 HydrophobicContact CG1-CB 3.76Å; V651-L690 HydrophobicContact CG1-CD1 4.18Å; V651-T692 HydrophobicContact CG2-CG2 3.93Å
652L92.6Very high90.6Very high94 Ų9452.5 Ų52.549%0.49230%0.297SS..Hα-helixtrans-68.5-42.1-179.3-69.1174.4000112.5S648 T649 E650 R655 R656 I667S648-L652 WeakPolarHBondContact O-CG 3.38Å; S648-L652 PolarHBondContact O-N 3.33Å; S648-L652 VanDerWaalsContact O-N 3.08Å; T649-L652 PolarHBondContact O-N 3.26Å; E650-L652 PolarHBondContact O-N 2.62Å; L652-R655 PolarHBondContact O-N 3.39Å; L652-R656 WeakPolarHBondContact O-CG 3.49Å; L652-R656 PolarHBondContact O-N 2.82Å; L652-I667 HydrophobicContact CD2-CD1 4.3Å
653L92.1Very high90Very high100 Ų10053.1 Ų53.152%0.52430%0.301SS..Hα-helixtrans-63-47.4176.2-70.1174.2000110.7T649 E650 R655 R656 S657T649-L653 HydrophobicContact CG2-CD1 4.29Å; T649-L653 WeakPolarHBondContact O-CG 3.25Å; T649-L653 PolarHBondContact O-N 2.89Å; E650-L653 PolarHBondContact O-N 2.94Å; L653-R655 VanDerWaalsContact C-N 3.34Å; L653-R655 PolarHBondContact O-N 3.45Å; L653-R656 WeakPolarHBondContact O-CB 3.34Å; L653-R656 PolarHBondContact O-N 2.96Å; L653-R656 VanDerWaalsContact O-N 3.15Å; L653-S657 PolarHBondContact O-N 2.87Å; L653-S657 PolarHBondContact O-OG 3.11Å
654L91.8Very high89.4Confident5 Ų559 Ų593%0.02633%0.332CS..Hα-helixtrans-63.7-39.1179.5-174.955.4000112.1I623 L626 M643 E650 R656 S657 L658 L690 Y710I623-L654 HydrophobicContact CD1-CD1 3.46Å; I623-L654 VanDerWaalsContact CD1-CD1 3.46Å; L626-L654 HydrophobicContact CD2-CD1 4.39Å; M643-L654 HydrophobicContact SD-CD2 3.31Å; M643-L654 WeakPolarHBondContact SD-CD2 3.48Å; M643-L654 HydrophobicContact SD-CG 4.44Å; E650-L654 WeakPolarHBondContact O-CB 3.49Å; E650-L654 PolarHBondContact O-N 3.13Å; L654-R656 VanDerWaalsContact C-N 3.29Å; L654-R656 PolarHBondContact O-N 2.86Å; L654-S657 PolarHBondContact O-N 3.45Å; L654-L658 HydrophobicContact CD1-CD1 4.38Å; L654-L658 HydrophobicContact CD1-CG 4.16Å; L654-L658 HydrophobicContact CG-CD1 4.04Å; L654-L658 HydrophobicContact CG-CG 4.29Å; L654-L658 WeakPolarHBondContact O-CB 3.31Å; L654-L658 VanDerWaalsContact O-CG 3.25Å; L654-L658 WeakPolarHBondContact O-CG 3.39Å; L654-L658 PolarHBondContact O-N 3.45Å; L654-L690 HydrophobicContact CD2-CD2 4.3Å; L654-Y710 HydrophobicContact CD1-CD2 4.4Å; L654-Y710 HydrophobicContact CD1-CE2 3.74Å; L654-Y710 HydrophobicContact CD2-CD1 4.13Å; L654-Y710 HydrophobicContact CD2-CD2 3.65Å; L654-Y710 HydrophobicContact CD2-CE1 4.3Å; L654-Y710 HydrophobicContact CD2-CE2 3.8Å; L654-Y710 HydrophobicContact CD2-CG 3.82Å; L654-Y710 HydrophobicContact CG-CE2 4.44Å
655R91Very high88.9Confident91 Ų9159.3 Ų59.334%0.34334%0.335SS..Hα-helixtrans-56.5-43.9173.8-166.8-147.2-174.7125.1-2.7111.6V651 L652 L653 L658 Q659 I667 L690V651-R655 WeakPolarHBondContact O-CB 3.5Å; V651-R655 PolarHBondContact O-N 3.32Å; L652-R655 PolarHBondContact O-N 3.39Å; L653-R655 VanDerWaalsContact C-N 3.34Å; L653-R655 PolarHBondContact O-N 3.45Å; R655-L658 PolarHBondContact O-N 2.87Å; R655-Q659 WeakPolarHBondContact O-CB 3.45Å; R655-Q659 VanDerWaalsContact O-CG 3.26Å; R655-Q659 WeakPolarHBondContact O-CG 3.4Å; R655-Q659 PolarHBondContact O-N 2.68Å; R655-I667 HydrophobicContact CB-CD1 3.95Å; R655-I667 HydrophobicContact CG-CD1 3.84Å; R655-I667 HydrophobicContact CG-CG1 4.44Å; R655-I667 VanDerWaalsContact NH1-CD1 3.31Å; R655-L690 HydrophobicContact CB-CD1 4.03Å
656R91Very high88.7Confident169 Ų16960.9 Ų60.964%0.63834%0.342SS*.Hα-helixtrans-64.9-45.5178.3-68176-173.5170.52.1111.1L652 L653 L654 L658 Q659 A660L652-R656 WeakPolarHBondContact O-CG 3.49Å; L652-R656 PolarHBondContact O-N 2.82Å; L653-R656 WeakPolarHBondContact O-CB 3.34Å; L653-R656 PolarHBondContact O-N 2.96Å; L653-R656 VanDerWaalsContact O-N 3.15Å; L654-R656 VanDerWaalsContact C-N 3.29Å; L654-R656 PolarHBondContact O-N 2.86Å; R656-L658 VanDerWaalsContact C-N 3.32Å; R656-L658 PolarHBondContact O-N 3.32Å; R656-Q659 PolarHBondContact O-N 3.04Å; R656-A660 PolarHBondContact O-N 3.48Å
657S89Confident88.8Confident56 Ų5659.3 Ų59.339%0.39233%0.33SS..Hα-helixtrans-60.8-41.2176.8-59.20000112L653 L654 A660 I661L653-S657 PolarHBondContact O-N 2.87Å; L653-S657 PolarHBondContact O-OG 3.11Å; L654-S657 PolarHBondContact O-N 3.45Å; S657-A660 PolarHBondContact O-N 3.49Å; S657-I661 WeakPolarHBondContact O-CG1 3.37Å; S657-I661 PolarHBondContact O-N 2.86Å
658L87.1Confident88.9Confident0 Ų056 Ų560%031%0.312CS..Hα-helixtrans-66.9-41.1176.3-74177.2000112.7L626 L654 R655 R656 A660 I661 G662 V663 A665 L688 L690L626-L658 HydrophobicContact CD2-CD2 3.7Å; L626-L658 HydrophobicContact CG-CD2 4.45Å; L654-L658 HydrophobicContact CD1-CD1 4.38Å; L654-L658 HydrophobicContact CD1-CG 4.16Å; L654-L658 HydrophobicContact CG-CD1 4.04Å; L654-L658 HydrophobicContact CG-CG 4.29Å; L654-L658 WeakPolarHBondContact O-CB 3.31Å; L654-L658 VanDerWaalsContact O-CG 3.25Å; L654-L658 WeakPolarHBondContact O-CG 3.39Å; L654-L658 PolarHBondContact O-N 3.45Å; R655-L658 PolarHBondContact O-N 2.87Å; R656-L658 VanDerWaalsContact C-N 3.32Å; R656-L658 PolarHBondContact O-N 3.32Å; L658-A660 VanDerWaalsContact C-N 3.34Å; L658-A660 PolarHBondContact O-N 2.82Å; L658-I661 HydrophobicContact CD2-CD1 3.92Å; L658-I661 CarbonylContact O-C 3.55Å; L658-I661 WeakPolarHBondContact O-CG1 3.37Å; L658-I661 PolarHBondContact O-N 3.46Å; L658-G662 PolarHBondContact O-N 2.68Å; L658-V663 CarbonylContact C-O 3.51Å; L658-V663 VanDerWaalsContact C-O 3.29Å; L658-V663 HydrophobicContact CB-CB 4.23Å; L658-V663 HydrophobicContact CB-CG1 4.5Å; L658-V663 HydrophobicContact CD2-CB 4.18Å; L658-V663 HydrophobicContact CD2-CG1 4.2Å; L658-V663 WeakPolarHBondContact O-CA 3.35Å; L658-V663 PolarHBondContact O-N 2.8Å; L658-A665 HydrophobicContact CD1-CB 4.1Å; L658-L688 HydrophobicContact CD1-CD2 3.54Å; L658-L690 HydrophobicContact CD1-CD1 4.3Å; L658-L690 HydrophobicContact CD1-CD2 4.2Å
659Q87.7Confident88.8Confident90 Ų9055 Ų5542%0.42130%0.303SS..Hα-helixtrans-63.5-40.6175.6-77.1175.2-28.800111.9R655 R656 I661 G662R655-Q659 WeakPolarHBondContact O-CB 3.45Å; R655-Q659 VanDerWaalsContact O-CG 3.26Å; R655-Q659 WeakPolarHBondContact O-CG 3.4Å; R655-Q659 PolarHBondContact O-N 2.68Å; R656-Q659 PolarHBondContact O-N 3.04Å; Q659-I661 PolarHBondContact O-N 3.1Å; Q659-I661 VanDerWaalsContact O-N 3.16Å; Q659-G662 PolarHBondContact O-N 2.72Å
660A87.2Confident88.6Confident89 Ų8953.2 Ų53.274%0.73630%0.295SS*.Hα-helixtrans-60.4-24.5177.200000113R656 S657 L658R656-A660 PolarHBondContact O-N 3.48Å; S657-A660 PolarHBondContact O-N 3.49Å; L658-A660 VanDerWaalsContact C-N 3.34Å; L658-A660 PolarHBondContact O-N 2.82Å
661I81.2Confident88.2Confident54 Ų5456.4 Ų56.428%0.27731%0.31SS..THydrogen-bonded Turntrans-10413.9178.766.2170.3000112.7I623 K627 S657 L658 Q659 V663I623-I661 HydrophobicContact CG2-CD1 4.18Å; K627-I661 HydrophobicContact CD-CD1 4.16Å; K627-I661 VanDerWaalsContact CE-CD1 3.47Å; K627-I661 VanDerWaalsContact CE-CG2 3.42Å; K627-I661 HydrophobicContact CG-CD1 3.63Å; S657-I661 WeakPolarHBondContact O-CG1 3.37Å; S657-I661 PolarHBondContact O-N 2.86Å; L658-I661 HydrophobicContact CD2-CD1 3.92Å; L658-I661 CarbonylContact O-C 3.55Å; L658-I661 WeakPolarHBondContact O-CG1 3.37Å; L658-I661 PolarHBondContact O-N 3.46Å; Q659-I661 PolarHBondContact O-N 3.1Å; Q659-I661 VanDerWaalsContact O-N 3.16Å; I661-V663 HydrophobicContact CD1-CG2 4.23Å; I661-V663 HydrophobicContact CG1-CB 4.45Å; I661-V663 HydrophobicContact CG1-CG2 4.14Å
662G80.8Confident87.7Confident55 Ų5560.7 Ų60.757%0.56735%0.345SS*.THydrogen-bonded Turntrans75.920.4175.700000115.2L658 Q659L658-G662 PolarHBondContact O-N 2.68Å; Q659-G662 PolarHBondContact O-N 2.72Å
663V81.3Confident87.4Confident14 Ų1457.6 Ų57.69%0.08533%0.331CS..  trans-104112.8175.4178.60000109.6I630 L658 I661I630-V663 HydrophobicContact CD1-CG1 4.15Å; I630-V663 HydrophobicContact CD1-CG2 4.47Å; L658-V663 CarbonylContact C-O 3.51Å; L658-V663 VanDerWaalsContact C-O 3.29Å; L658-V663 HydrophobicContact CB-CB 4.23Å; L658-V663 HydrophobicContact CB-CG1 4.5Å; L658-V663 HydrophobicContact CD2-CB 4.18Å; L658-V663 HydrophobicContact CD2-CG1 4.2Å; L658-V663 WeakPolarHBondContact O-CA 3.35Å; L658-V663 PolarHBondContact O-N 2.8Å; I661-V663 HydrophobicContact CD1-CG2 4.23Å; I661-V663 HydrophobicContact CG1-CB 4.45Å; I661-V663 HydrophobicContact CG1-CG2 4.14Å
664N81.1Confident87.1Confident122 Ų12255.8 Ų55.865%0.65232%0.317SS*.  trans-79.3129.7172.7-72.5-31.6000110.6
665A86.9Confident86.7Confident7 Ų759.3 Ų59.36%0.05834%0.343CS..EExtended strand (participates in β ladder)trans-130133.4178.200000111.2L658 L688 L690L658-A665 HydrophobicContact CD1-CB 4.1Å; A665-L688 CarbonylContact C-O 3.49Å; A665-L688 VanDerWaalsContact CA-O 3.31Å; A665-L688 WeakPolarHBondContact CA-O 3.18Å; A665-L688 HydrophobicContact CB-CB 4.13Å; A665-L688 HydrophobicContact CB-CD2 4.21Å; A665-L688 HydrophobicContact CB-CG 4.41Å; A665-L690 HydrophobicContact CB-CD1 3.99Å; A665-L690 HydrophobicContact CB-CG 3.94Å
666H89.6Confident86.4Confident33 Ų3357.3 Ų57.315%0.15334%0.339CS..EExtended strand (participates in β ladder)trans-82.5157.6170.3-71.2-101.5000110W680 L688 L689 L690H666-W680 HydrophobicContact CB-CB 3.98Å; H666-W680 HydrophobicContact CB-CG 4.3Å; H666-W680 AromaticContact CD2-CD1 3.77Å; H666-L688 PolarHBondContact N-O 3.46Å; H666-L689 HydrophobicContact CB-CD1 3.88Å; H666-L690 PolarHBondContact O-N 3.37Å
667I92.3Very high86.1Confident15 Ų1549.6 Ų49.68%0.07731%0.311CS..EExtended strand (participates in β ladder)trans-127.9135.6-176.3-64-174.3000110.6V651 L652 R655 V669 N676 L690V651-I667 HydrophobicContact CG1-CB 4.45Å; V651-I667 HydrophobicContact CG1-CD1 3.81Å; V651-I667 HydrophobicContact CG1-CG1 3.99Å; V651-I667 HydrophobicContact CG1-CG2 3.71Å; L652-I667 HydrophobicContact CD2-CD1 4.3Å; R655-I667 HydrophobicContact CB-CD1 3.95Å; R655-I667 HydrophobicContact CG-CD1 3.84Å; R655-I667 HydrophobicContact CG-CG1 4.44Å; R655-I667 VanDerWaalsContact NH1-CD1 3.31Å; I667-V669 HydrophobicContact CG2-CG1 3.65Å; I667-V669 HydrophobicContact CG2-CG2 4.44Å; I667-N676 WeakPolarHBondContact O-CB 3.22Å; I667-N676 PolarHBondContact O-ND2 3.26Å; I667-L690 WeakPolarHBondContact CA-O 3.26Å; I667-L690 HydrophobicContact CG1-CB 4.38Å; I667-L690 HydrophobicContact CG1-CD1 4.42Å
668C91.6Very high85.8Confident0 Ų049.8 Ų49.80%032%0.316CS..EExtended strand (participates in β ladder)trans-13898.4166-178.90000110.1C673 V677 L689 L690 V691 V695C668-C673 HydrophobicContact CB-CB 4.33Å; C668-V677 HydrophobicContact CB-CG2 4.12Å; C668-L689 HydrophobicContact CB-CD1 4.27Å; C668-L690 PolarHBondContact N-O 3.48Å; C668-V691 HydrophobicContact CB-CG1 4.13Å; C668-V691 WeakPolarHBondContact O-CA 3.13Å; C668-V695 VanDerWaalsContact O-CG2 3.31Å; C668-V695 WeakPolarHBondContact O-CG2 3.23Å
669V90.4Very high85.5Confident40 Ų4052.8 Ų52.824%0.24233%0.33CS..  trans-107.8-9.2-179.1-63.50000113.9V651 I667 T692V651-V669 HydrophobicContact CB-CG1 4.05Å; V651-V669 HydrophobicContact CG1-CG1 3.83Å; V651-V669 HydrophobicContact CG2-CG1 4.06Å; I667-V669 HydrophobicContact CG2-CG1 3.65Å; I667-V669 HydrophobicContact CG2-CG2 4.44Å; V669-T692 HydrophobicContact CB-CG2 4.36Å; V669-T692 HydrophobicContact CG1-CG2 4.04Å; V669-T692 PolarHBondContact O-OG1 2.95Å
670S89.3Confident85.4Confident52 Ų5248.5 Ų48.536%0.36431%0.31SS..SBendtrans-149166.2177.3710000110.8A672 C673S670-A672 PolarHBondContact O-N 2.85Å; S670-C673 WeakPolarHBondContact O-CB 3.41Å; S670-C673 PolarHBondContact O-N 3.13Å
671E83.9Confident85.1Confident99 Ų9948 Ų4846%0.46329%0.294SS..G310 helixtrans-60.4-30.1178.8-54.9-156.3137.100112.8C673 Y674 R698E671-C673 PolarHBondContact O-N 3.04Å; E671-C673 VanDerWaalsContact O-N 3.14Å; E671-Y674 HydrophobicContact CB-CD2 4.02Å; E671-Y674 HydrophobicContact CB-CE2 3.54Å; E671-Y674 HydrophobicContact CG-CE2 3.71Å; E671-Y674 WeakPolarHBondContact O-CB 3.29Å; E671-Y674 WeakPolarHBondContact O-CD2 3.2Å; E671-Y674 PolarHBondContact O-N 3.39Å; E671-Y674 VanDerWaalsContact O-N 3.11Å; E671-Y674 PolarHBondContact OE1-OH 3.46Å; E671-R698 WeakPolarHBondContact OE1-CD 3.28Å; E671-R698 IonicContact OE1-CZ 3.69Å; E671-R698 IonicContact OE1-NE 2.92Å; E671-R698 IonicContact OE1-NH1 3.76Å; E671-R698 PolarHBondContact OE1-NH1 3.5Å; E671-R698 IonicContact OE2-NH1 2.97Å; E671-R698 PolarHBondContact OE2-NH1 2.95Å
672A84.4Confident84.9Confident89 Ų8953.9 Ų53.974%0.73631%0.313SS*.G310 helixtrans-61.5-20.9175.100000112.7S670S670-A672 PolarHBondContact O-N 2.85Å
673C85.4Confident84.3Confident29 Ų2956.1 Ų56.120%0.19631%0.308CS..G310 helixtrans-94.27.8179.3-580000113.6C668 S670 E671 S675 N676C668-C673 HydrophobicContact CB-CB 4.33Å; S670-C673 WeakPolarHBondContact O-CB 3.41Å; S670-C673 PolarHBondContact O-N 3.13Å; E671-C673 PolarHBondContact O-N 3.04Å; E671-C673 VanDerWaalsContact O-N 3.14Å; C673-S675 PolarHBondContact O-N 2.92Å; C673-N676 WeakPolarHBondContact O-CB 3.28Å; C673-N676 PolarHBondContact O-N 3.36Å
674Y86Confident83.5Confident62 Ų6257.1 Ų57.124%0.24332%0.316CS..THydrogen-bonded Turntrans-62.3-26.9-179.7-72.9-31.8000113.8E671 N676 V677 V695 R698 L699E671-Y674 HydrophobicContact CB-CD2 4.02Å; E671-Y674 HydrophobicContact CB-CE2 3.54Å; E671-Y674 HydrophobicContact CG-CE2 3.71Å; E671-Y674 WeakPolarHBondContact O-CB 3.29Å; E671-Y674 WeakPolarHBondContact O-CD2 3.2Å; E671-Y674 PolarHBondContact O-N 3.39Å; E671-Y674 VanDerWaalsContact O-N 3.11Å; E671-Y674 PolarHBondContact OE1-OH 3.46Å; Y674-N676 PolarHBondContact O-N 3.29Å; Y674-V677 WeakPolarHBondContact O-CB 3.11Å; Y674-V677 PolarHBondContact O-N 3.01Å; Y674-V677 VanDerWaalsContact O-N 3.07Å; Y674-V695 HydrophobicContact CE1-CB 4.12Å; Y674-V695 HydrophobicContact CE1-CG1 4.36Å; Y674-R698 WeakPolarHBondContact OH-CB 3.49Å; Y674-L699 HydrophobicContact CD1-CD1 4.08Å; Y674-L699 HydrophobicContact CE1-CD1 3.98Å
675S83.5Confident82.4Confident80 Ų8055.3 Ų55.356%0.55931%0.311SS*.Hα-helixtrans-57.4-33.517149.60000112.5C673 V677 A678 E679C673-S675 PolarHBondContact O-N 2.92Å; S675-V677 PolarHBondContact O-N 2.91Å; S675-A678 PolarHBondContact O-N 2.89Å; S675-E679 PolarHBondContact O-N 3.24Å
676N84Confident81.2Confident48 Ų4857.5 Ų57.526%0.25733%0.326SS..Hα-helixtrans-65.3-24.2178-59.4-6.5000112.3I667 C673 Y674 W680I667-N676 WeakPolarHBondContact O-CB 3.22Å; I667-N676 PolarHBondContact O-ND2 3.26Å; C673-N676 WeakPolarHBondContact O-CB 3.28Å; C673-N676 PolarHBondContact O-N 3.36Å; Y674-N676 PolarHBondContact O-N 3.29Å; N676-W680 VanDerWaalsContact O-CB 3.25Å; N676-W680 WeakPolarHBondContact O-CB 3.45Å; N676-W680 PolarHBondContact O-N 2.92Å
677V86Confident80.6Confident8 Ų856.4 Ų56.45%0.04832%0.324CS..Hα-helixtrans-71.7-43.9176.2-174.70000110.2C668 Y674 S675 E679 W680 L681 L689 L699C668-V677 HydrophobicContact CB-CG2 4.12Å; Y674-V677 WeakPolarHBondContact O-CB 3.11Å; Y674-V677 PolarHBondContact O-N 3.01Å; Y674-V677 VanDerWaalsContact O-N 3.07Å; S675-V677 PolarHBondContact O-N 2.91Å; V677-E679 VanDerWaalsContact C-N 3.27Å; V677-E679 PolarHBondContact O-N 3.48Å; V677-W680 HydrophobicContact CG1-CE3 4.08Å; V677-W680 HydrophobicContact CG1-CZ3 4.41Å; V677-W680 PolarHBondContact O-N 3.12Å; V677-L681 HydrophobicContact CG1-CD1 4.35Å; V677-L681 WeakPolarHBondContact O-CG 3.36Å; V677-L681 PolarHBondContact O-N 3.12Å; V677-L689 HydrophobicContact CG1-CD2 4.44Å; V677-L689 HydrophobicContact CG2-CD2 4.33Å; V677-L699 HydrophobicContact CG2-CD1 3.67Å
678A81.7Confident80.4Confident60 Ų6056.1 Ų56.150%0.49632%0.322SS..Hα-helixtrans-65.5-34.8175.300000111.5S675 R682S675-A678 PolarHBondContact O-N 2.89Å; A678-R682 VanDerWaalsContact O-CB 3.29Å; A678-R682 WeakPolarHBondContact O-CB 3.47Å; A678-R682 PolarHBondContact O-N 3.46Å
679E81.8Confident80.4Confident63 Ų6356.1 Ų56.129%0.29432%0.322SS..Hα-helixtrans-67.1-47.2172.8-172.4169.3-144.200112.5S675 V677 L681 R682 Q683S675-E679 PolarHBondContact O-N 3.24Å; V677-E679 VanDerWaalsContact C-N 3.27Å; V677-E679 PolarHBondContact O-N 3.48Å; E679-L681 PolarHBondContact O-N 2.87Å; E679-R682 PolarHBondContact O-N 2.9Å; E679-R682 VanDerWaalsContact O-N 3.09Å; E679-Q683 HydrophobicContact CG-CG 4.07Å; E679-Q683 VanDerWaalsContact CG-NE2 3.34Å; E679-Q683 VanDerWaalsContact CG-OE1 3.26Å; E679-Q683 WeakPolarHBondContact O-CB 3.33Å; E679-Q683 PolarHBondContact O-N 2.93Å; E679-Q683 PolarHBondContact OE1-NE2 3.17Å; E679-Q683 PolarHBondContact OE1-OE1 3.15Å
680W86.1Confident80.6Confident0 Ų054.2 Ų54.20%031%0.311CS..Hα-helixtrans-55.1-49.6175.116660.4000111.9P640 V642 H666 N676 V677 R682 S684 G687 L689 C701 I704P640-W680 HydrophobicContact CB-CH2 3.99Å; P640-W680 HydrophobicContact CB-CZ2 3.52Å; V642-W680 HydrophobicContact CG2-CH2 3.71Å; V642-W680 HydrophobicContact CG2-CZ2 4.32Å; V642-W680 HydrophobicContact CG2-CZ3 4.45Å; H666-W680 HydrophobicContact CB-CB 3.98Å; H666-W680 HydrophobicContact CB-CG 4.3Å; H666-W680 AromaticContact CD2-CD1 3.77Å; N676-W680 VanDerWaalsContact O-CB 3.25Å; N676-W680 WeakPolarHBondContact O-CB 3.45Å; N676-W680 PolarHBondContact O-N 2.92Å; V677-W680 HydrophobicContact CG1-CE3 4.08Å; V677-W680 HydrophobicContact CG1-CZ3 4.41Å; V677-W680 PolarHBondContact O-N 3.12Å; W680-R682 PolarHBondContact O-N 3.07Å; W680-S684 CarbonylContact O-C 3.55Å; W680-S684 PolarHBondContact O-N 2.7Å; W680-G687 VanDerWaalsContact NE1-C 3.3Å; W680-G687 PolarHBondContact NE1-O 3.42Å; W680-L689 HydrophobicContact CD2-CB 3.8Å; W680-L689 HydrophobicContact CD2-CD1 4.47Å; W680-L689 HydrophobicContact CD2-CD2 4.26Å; W680-L689 HydrophobicContact CD2-CG 4.39Å; W680-L689 HydrophobicContact CE3-CB 4.14Å; W680-L689 HydrophobicContact CE3-CD2 3.76Å; W680-L689 HydrophobicContact CE3-CG 4.38Å; W680-L689 HydrophobicContact CG-CB 4.29Å; W680-L689 HydrophobicContact CG-CD1 4.46Å; W680-L689 HydrophobicContact CH2-CB 4.17Å; W680-L689 HydrophobicContact CH2-CD2 4.32Å; W680-L689 HydrophobicContact CZ2-CB 3.83Å; W680-L689 HydrophobicContact CZ3-CB 4.33Å; W680-L689 HydrophobicContact CZ3-CD2 3.81Å; W680-C701 HydrophobicContact CH2-CB 4.42Å; W680-C701 HydrophobicContact CZ3-CB 4.02Å; W680-I704 HydrophobicContact CH2-CG2 4.37Å
681L80.1Confident80.9Confident79 Ų7951.7 Ų51.741%0.41429%0.293SS..Hα-helixtrans-61.3-28.9178-72.5171.4000113.3V677 E679V677-L681 HydrophobicContact CG1-CD1 4.35Å; V677-L681 WeakPolarHBondContact O-CG 3.36Å; V677-L681 PolarHBondContact O-N 3.12Å; E679-L681 PolarHBondContact O-N 2.87Å
682R77.1Confident81.4Confident177 Ų17747.1 Ų47.167%0.66827%0.272SS*.Hα-helixtrans-90.8-40.2-176.4177173.744.11024.9113.3A678 E679 W680A678-R682 VanDerWaalsContact O-CB 3.29Å; A678-R682 WeakPolarHBondContact O-CB 3.47Å; A678-R682 PolarHBondContact O-N 3.46Å; E679-R682 PolarHBondContact O-N 2.9Å; E679-R682 VanDerWaalsContact O-N 3.09Å; W680-R682 PolarHBondContact O-N 3.07Å
683Q68.8Low81.8Confident101 Ų10143.2 Ų43.247%0.47224%0.239SC..Hα-helixtrans-96.9-28.7-170.6-69.7177.7-2.500113.4E679E679-Q683 HydrophobicContact CG-CG 4.07Å; E679-Q683 VanDerWaalsContact CG-NE2 3.34Å; E679-Q683 VanDerWaalsContact CG-OE1 3.26Å; E679-Q683 WeakPolarHBondContact O-CB 3.33Å; E679-Q683 PolarHBondContact O-N 2.93Å; E679-Q683 PolarHBondContact OE1-NE2 3.17Å; E679-Q683 PolarHBondContact OE1-OE1 3.15Å
684S64Low82.1Confident35 Ų3547 Ų4725%0.24526%0.257CS..  trans-139.574.2-174.6-63.50000110.5W680 S686 G687W680-S684 CarbonylContact O-C 3.55Å; W680-S684 PolarHBondContact O-N 2.7Å; S684-S686 PolarHBondContact O-N 3.35Å; S684-S686 VanDerWaalsContact O-N 3.07Å; S684-G687 WeakPolarHBondContact O-CA 3.4Å; S684-G687 PolarHBondContact O-N 3.07Å
685P56.9Low82.4Confident84 Ų8444.1 Ų44.155%0.54525%0.246SC..THydrogen-bonded Turntrans-59.8-19.617821.2-30.2000113.5N638 E639 P640N638-P685 CarbonylContact O-C 3.51Å; E639-P685 CarbonylContact C-O 3.58Å; P640-P685 WeakPolarHBondContact CA-O 3.23Å; P640-P685 WeakPolarHBondContact CB-O 3.19Å; P640-P685 WeakPolarHBondContact CD-O 3.26Å; P640-P685 VanDerWaalsContact N-O 3.12Å
686S63.3Low82.8Confident54 Ų5440.4 Ų40.438%0.37822%0.22SC..THydrogen-bonded Turntrans-103.913.1171.553.90000114.4N638 S684N638-S686 WeakPolarHBondContact O-CA 3.41Å; N638-S686 VanDerWaalsContact O-CB 3.3Å; N638-S686 WeakPolarHBondContact O-CB 3.32Å; N638-S686 WeakPolarHBondContact OD1-CB 3.3Å; N638-S686 PolarHBondContact OD1-OG 3.05Å; S684-S686 PolarHBondContact O-N 3.35Å; S684-S686 VanDerWaalsContact O-N 3.07Å
687G76.1Confident82.9Confident10 Ų1042 Ų4210%0.10323%0.233CC..  trans-83.5158.6-174.500000113.7A641 W680 S684A641-G687 PolarHBondContact N-O 3.3Å; W680-G687 VanDerWaalsContact NE1-C 3.3Å; W680-G687 PolarHBondContact NE1-O 3.42Å; S684-G687 WeakPolarHBondContact O-CA 3.4Å; S684-G687 PolarHBondContact O-N 3.07Å
688L87.6Confident82.9Confident8 Ų849.6 Ų49.64%0.04226%0.261CS..EExtended strand (participates in β ladder)trans-91.5133173.8-173.467.5000110.8A641 M643 L658 A665 H666 L690 I708A641-L688 HydrophobicContact CB-CD1 3.78Å; M643-L688 HydrophobicContact CB-CD1 4.03Å; M643-L688 HydrophobicContact CE-CD1 4.22Å; M643-L688 HydrophobicContact CE-CD2 3.9Å; M643-L688 HydrophobicContact SD-CD2 4.45Å; L658-L688 HydrophobicContact CD1-CD2 3.54Å; A665-L688 CarbonylContact C-O 3.49Å; A665-L688 VanDerWaalsContact CA-O 3.31Å; A665-L688 WeakPolarHBondContact CA-O 3.18Å; A665-L688 HydrophobicContact CB-CB 4.13Å; A665-L688 HydrophobicContact CB-CD2 4.21Å; A665-L688 HydrophobicContact CB-CG 4.41Å; H666-L688 PolarHBondContact N-O 3.46Å; L688-L690 HydrophobicContact CD2-CD2 3.7Å; L688-L690 HydrophobicContact CG-CD2 4.03Å; L688-I708 HydrophobicContact CD1-CD1 4.45Å
689L92Very high83.2Confident0 Ų047.5 Ų47.50%024%0.241CC..EExtended strand (participates in β ladder)trans-107.7117.9170-178.769.4000110.3A641 V642 M643 H666 C668 V677 W680 V691 L699A641-L689 PolarHBondContact O-N 3.48Å; V642-L689 HydrophobicContact CG2-CB 4.5Å; V642-L689 HydrophobicContact CG2-CD2 4.47Å; M643-L689 PolarHBondContact N-O 2.88Å; H666-L689 HydrophobicContact CB-CD1 3.88Å; C668-L689 HydrophobicContact CB-CD1 4.27Å; V677-L689 HydrophobicContact CG1-CD2 4.44Å; V677-L689 HydrophobicContact CG2-CD2 4.33Å; W680-L689 HydrophobicContact CD2-CB 3.8Å; W680-L689 HydrophobicContact CD2-CD1 4.47Å; W680-L689 HydrophobicContact CD2-CD2 4.26Å; W680-L689 HydrophobicContact CD2-CG 4.39Å; W680-L689 HydrophobicContact CE3-CB 4.14Å; W680-L689 HydrophobicContact CE3-CD2 3.76Å; W680-L689 HydrophobicContact CE3-CG 4.38Å; W680-L689 HydrophobicContact CG-CB 4.29Å; W680-L689 HydrophobicContact CG-CD1 4.46Å; W680-L689 HydrophobicContact CH2-CB 4.17Å; W680-L689 HydrophobicContact CH2-CD2 4.32Å; W680-L689 HydrophobicContact CZ2-CB 3.83Å; W680-L689 HydrophobicContact CZ3-CB 4.33Å; W680-L689 HydrophobicContact CZ3-CD2 3.81Å; L689-V691 HydrophobicContact CD1-CG1 4.48Å; L689-V691 HydrophobicContact CD2-CG1 3.83Å; L689-V691 HydrophobicContact CG-CG1 3.74Å; L689-L699 HydrophobicContact CD2-CD2 4.37Å
690L94.1Very high83.4Confident0 Ų053.4 Ų53.40%027%0.265CS..EExtended strand (participates in β ladder)trans-91.1127.3173.6-53.3179.8000110.2M643 V651 L654 R655 L658 A665 H666 I667 C668 L688M643-L690 HydrophobicContact CB-CD2 3.87Å; M643-L690 HydrophobicContact CG-CD2 4.14Å; M643-L690 WeakPolarHBondContact O-CA 3.37Å; M643-L690 HydrophobicContact SD-CD2 3.6Å; M643-L690 VanDerWaalsContact SD-CD2 3.6Å; V651-L690 HydrophobicContact CG1-CB 3.76Å; V651-L690 HydrophobicContact CG1-CD1 4.18Å; L654-L690 HydrophobicContact CD2-CD2 4.3Å; R655-L690 HydrophobicContact CB-CD1 4.03Å; L658-L690 HydrophobicContact CD1-CD1 4.3Å; L658-L690 HydrophobicContact CD1-CD2 4.2Å; A665-L690 HydrophobicContact CB-CD1 3.99Å; A665-L690 HydrophobicContact CB-CG 3.94Å; H666-L690 PolarHBondContact O-N 3.37Å; I667-L690 WeakPolarHBondContact CA-O 3.26Å; I667-L690 HydrophobicContact CG1-CB 4.38Å; I667-L690 HydrophobicContact CG1-CD1 4.42Å; C668-L690 PolarHBondContact N-O 3.48Å; L688-L690 HydrophobicContact CD2-CD2 3.7Å; L688-L690 HydrophobicContact CG-CD2 4.03Å
691V95.6Very high83.2Confident0 Ų053.6 Ų53.60%027%0.267CS..EExtended strand (participates in β ladder)trans-136.3164.4-179.2-54.50000112.3V642 M643 V644 C645 C668 L689 V695 V696 L699V642-V691 HydrophobicContact CG1-CG1 4.39Å; V642-V691 HydrophobicContact CG1-CG2 3.87Å; M643-V691 PolarHBondContact O-N 3.14Å; V644-V691 WeakPolarHBondContact CA-O 3.26Å; V644-V691 HydrophobicContact CB-CG2 4.24Å; V644-V691 HydrophobicContact CG1-CG2 4.23Å; V644-V691 HydrophobicContact CG2-CG2 3.77Å; C645-V691 PolarHBondContact N-O 3.26Å; C668-V691 HydrophobicContact CB-CG1 4.13Å; C668-V691 WeakPolarHBondContact O-CA 3.13Å; L689-V691 HydrophobicContact CD1-CG1 4.48Å; L689-V691 HydrophobicContact CD2-CG1 3.83Å; L689-V691 HydrophobicContact CG-CG1 3.74Å; V691-V695 HydrophobicContact CB-CG2 3.77Å; V691-V695 HydrophobicContact CG1-CG2 4.28Å; V691-V696 HydrophobicContact CG2-CG2 4.36Å; V691-L699 HydrophobicContact CG1-CD2 3.86Å; V691-L699 HydrophobicContact CG2-CD2 4.49Å
692T94.8Very high83.4Confident2 Ų251.8 Ų51.81%0.01227%0.267CS..EExtended strand (participates in β ladder)trans-106.6164.1168.357.30000110.7N647 V651 V669 D694 V695N647-T692 VanDerWaalsContact C-CG2 3.44Å; V651-T692 HydrophobicContact CG2-CG2 3.93Å; V669-T692 HydrophobicContact CB-CG2 4.36Å; V669-T692 HydrophobicContact CG1-CG2 4.04Å; V669-T692 PolarHBondContact O-OG1 2.95Å; T692-D694 PolarHBondContact O-N 2.98Å; T692-D694 VanDerWaalsContact O-N 3.08Å; T692-V695 VanDerWaalsContact O-CG2 3.25Å; T692-V695 WeakPolarHBondContact O-CG2 3.29Å; T692-V695 PolarHBondContact O-N 3.2Å
693D93.4Very high83.8Confident8 Ų848.7 Ų48.74%0.04326%0.259CS..THydrogen-bonded Turntrans-58.5-20.3175.8-76.5-66.1000113.9A713 R718 R722D693-A713 WeakPolarHBondContact OD2-CB 3.43Å; D693-R718 PolarHBondContact O-NH2 3.31Å; D693-R722 WeakPolarHBondContact OD1-CG 3.44Å; D693-R722 IonicContact OD1-CZ 3.05Å; D693-R722 IonicContact OD1-NE 3.59Å; D693-R722 PolarHBondContact OD1-NE 3.29Å; D693-R722 IonicContact OD1-NH2 3.45Å; D693-R722 IonicContact OD2-CZ 3.13Å; D693-R722 IonicContact OD2-NE 2.66Å; D693-R722 IonicContact OD2-NH2 3.72Å; D693-R722 PolarHBondContact OD2-NH2 3.29Å
694D91.5Very high84.6Confident107 Ų10743.9 Ų43.957%0.57224%0.236SC*.THydrogen-bonded Turntrans-72.9-30.8-175.1-65.4-45.3000112.9T692 R718T692-D694 PolarHBondContact O-N 2.98Å; T692-D694 VanDerWaalsContact O-N 3.08Å; D694-R718 VanDerWaalsContact N-NH2 3.16Å; D694-R718 IonicContact OD1-CZ 2.67Å; D694-R718 IonicContact OD1-NH1 2.82Å; D694-R718 PolarHBondContact OD1-NH1 3.27Å; D694-R718 IonicContact OD1-NH2 3.67Å; D694-R718 PolarHBondContact OD1-NH2 3.41Å
695V92.3Very high85.7Confident2 Ų243.4 Ų43.41%0.01223%0.232CC..THydrogen-bonded Turntrans-89.4-24-179.3-64.60000113C668 Y674 V691 T692 R698 L699C668-V695 VanDerWaalsContact O-CG2 3.31Å; C668-V695 WeakPolarHBondContact O-CG2 3.23Å; Y674-V695 HydrophobicContact CE1-CB 4.12Å; Y674-V695 HydrophobicContact CE1-CG1 4.36Å; V691-V695 HydrophobicContact CB-CG2 3.77Å; V691-V695 HydrophobicContact CG1-CG2 4.28Å; T692-V695 VanDerWaalsContact O-CG2 3.25Å; T692-V695 WeakPolarHBondContact O-CG2 3.29Å; T692-V695 PolarHBondContact O-N 3.2Å; V695-R698 PolarHBondContact O-N 3.41Å; V695-L699 WeakPolarHBondContact O-CB 3.44Å; V695-L699 PolarHBondContact O-N 3.09Å; V695-L699 VanDerWaalsContact O-N 3.08Å
696V91.9Very high87.2Confident2 Ų239.7 Ų39.71%0.01221%0.208CC..G310 helixtrans-47.6-47.7-175.81680000113.9V644 V691 R698 L699 N721 L725V644-V696 HydrophobicContact CG1-CG2 4.34Å; V691-V696 HydrophobicContact CG2-CG2 4.36Å; V696-R698 PolarHBondContact O-N 3.3Å; V696-L699 PolarHBondContact O-N 3.26Å; V696-N721 WeakPolarHBondContact CG1-O 3.41Å; V696-L725 HydrophobicContact CG1-CG 4.45Å
697P86.6Confident88.7Confident81 Ų8137.1 Ų37.153%0.52619%0.19SC..G310 helixtrans-59.9-23.9-173.4-21.530.3000115.1
698R85.5Confident89.6Confident169 Ų16936.7 Ų36.764%0.63819%0.185SC*.G310 helixtrans-117.7-2.2-177.1-71175.1175-169.4-1.3112.6E671 Y674 V695 V696 K700E671-R698 WeakPolarHBondContact OE1-CD 3.28Å; E671-R698 IonicContact OE1-CZ 3.69Å; E671-R698 IonicContact OE1-NE 2.92Å; E671-R698 IonicContact OE1-NH1 3.76Å; E671-R698 PolarHBondContact OE1-NH1 3.5Å; E671-R698 IonicContact OE2-NH1 2.97Å; E671-R698 PolarHBondContact OE2-NH1 2.95Å; Y674-R698 WeakPolarHBondContact OH-CB 3.49Å; V695-R698 PolarHBondContact O-N 3.41Å; V696-R698 PolarHBondContact O-N 3.3Å; R698-K700 PolarHBondContact O-N 3.41Å
699L88.4Confident90Very high16 Ų1636.3 Ų36.38%0.08418%0.183CC..  trans-69.1128.1-177.9-161.970.1000110.5Y674 V677 L689 V691 V695 V696 C701 L725Y674-L699 HydrophobicContact CD1-CD1 4.08Å; Y674-L699 HydrophobicContact CE1-CD1 3.98Å; V677-L699 HydrophobicContact CG2-CD1 3.67Å; L689-L699 HydrophobicContact CD2-CD2 4.37Å; V691-L699 HydrophobicContact CG1-CD2 3.86Å; V691-L699 HydrophobicContact CG2-CD2 4.49Å; V695-L699 WeakPolarHBondContact O-CB 3.44Å; V695-L699 PolarHBondContact O-N 3.09Å; V695-L699 VanDerWaalsContact O-N 3.08Å; V696-L699 PolarHBondContact O-N 3.26Å; L699-C701 WeakPolarHBondContact CD2-SG 3.41Å; L699-C701 VanDerWaalsContact CG-SG 3.54Å; L699-L725 HydrophobicContact CB-CD2 4.08Å; L699-L725 HydrophobicContact CD2-CD2 3.89Å; L699-L725 HydrophobicContact CG-CD2 4.38Å
700K85Confident90.1Very high186 Ų18636.8 Ų36.881%0.80919%0.185SC*.  trans-114.485.9178.5-65.9-176.7-177.7177.10109.9R698R698-K700 PolarHBondContact O-N 3.41Å
701C82.3Confident90Very high5 Ų537.5 Ų37.53%0.03419%0.19CC..  trans-86.2-5.2-178.9-65.50000114.5V642 W680 L699 I704V642-C701 HydrophobicContact CG2-CB 4.41Å; W680-C701 HydrophobicContact CH2-CB 4.42Å; W680-C701 HydrophobicContact CZ3-CB 4.02Å; L699-C701 WeakPolarHBondContact CD2-SG 3.41Å; L699-C701 VanDerWaalsContact CG-SG 3.54Å; C701-I704 HydrophobicContact CB-CG2 3.67Å
702G83.6Confident89.9Confident40 Ų4038.2 Ų38.241%0.41219%0.193SC..  trans66.7-151.5-16700000111A728G702-A728 VanDerWaalsContact C-CB 3.47Å; G702-A728 VanDerWaalsContact O-CB 3.23Å; G702-A728 WeakPolarHBondContact O-CB 3.42Å
703K85.4Confident89.7Confident113 Ų11338.4 Ų38.449%0.49120%0.195SC..SBendtrans-77.3127.1-179.6-65.6-173.5177-176.70110.7A728 N729 S732K703-A728 HydrophobicContact CG-CB 4.34Å; K703-N729 WeakPolarHBondContact CA-OD1 3.47Å; K703-S732 PolarHBondContact NZ-OG 3.02Å
704I86.8Confident89.4Confident0 Ų043 Ų430%023%0.227CC..  trans-122.1114-179.456.1145.7000112.4V642 W680 C701 L706 L707 L725 F726 N729V642-I704 HydrophobicContact CB-CD1 4.46Å; V642-I704 HydrophobicContact CG2-CD1 4.34Å; V642-I704 HydrophobicContact CG2-CG2 3.85Å; W680-I704 HydrophobicContact CH2-CG2 4.37Å; C701-I704 HydrophobicContact CB-CG2 3.67Å; I704-L706 VanDerWaalsContact C-N 3.34Å; I704-L706 PolarHBondContact O-N 2.86Å; I704-L707 HydrophobicContact CD1-CB 4.28Å; I704-L725 HydrophobicContact CD1-CB 3.53Å; I704-L725 HydrophobicContact CD1-CD1 4.5Å; I704-L725 HydrophobicContact CG1-CB 4.28Å; I704-L725 WeakPolarHBondContact CG1-O 3.08Å; I704-F726 HydrophobicContact CD1-CD1 4.22Å; I704-F726 HydrophobicContact CD1-CE1 4.09Å; I704-F726 HydrophobicContact CG1-CD1 4.07Å; I704-F726 HydrophobicContact CG1-CE1 4.21Å; I704-F726 VanDerWaalsContact O-CE1 3.27Å; I704-F726 WeakPolarHBondContact O-CE1 3.5Å; I704-N729 PolarHBondContact N-ND2 3.16Å; I704-N729 PolarHBondContact N-OD1 2.82Å; I704-N729 PolarHBondContact O-ND2 3.38Å
705P86.3Confident89.3Confident24 Ų2442.9 Ų42.916%0.15623%0.225CC..SBendtrans-73.5-23.2-179.125.8-32.9000113.7E639 P640 G739 Q740E639-P705 HydrophobicContact CB-CB 4.4Å; E639-P705 HydrophobicContact CB-CG 3.49Å; E639-P705 VanDerWaalsContact CB-CG 3.49Å; E639-P705 HydrophobicContact CG-CB 4.27Å; E639-P705 HydrophobicContact CG-CG 3.66Å; E639-P705 VanDerWaalsContact OE2-CB 3.27Å; E639-P705 WeakPolarHBondContact OE2-CB 3.39Å; E639-P705 WeakPolarHBondContact OE2-CG 3.36Å; P640-P705 VanDerWaalsContact O-CD 3.22Å; P640-P705 WeakPolarHBondContact O-CD 3.42Å; P640-P705 WeakPolarHBondContact O-CG 3.46Å; P705-G739 CarbonylContact O-C 3.6Å; P705-G739 WeakPolarHBondContact O-CA 3.43Å; P705-Q740 PolarHBondContact O-N 2.87Å
706L89.5Confident89.3Confident7 Ų745.3 Ų45.34%0.03723%0.234CC..EExtended strand (participates in β ladder)trans-136.4126.3-176.5-178.961.8000112.2L629 R633 A641 V642 I704 I708 Q740 V742L629-L706 HydrophobicContact CD2-CD1 4.43Å; L629-L706 HydrophobicContact CD2-CD2 3.9Å; L629-L706 HydrophobicContact CG-CD2 4.21Å; R633-L706 HydrophobicContact CG-CD2 4.3Å; A641-L706 HydrophobicContact CB-CB 4.14Å; A641-L706 HydrophobicContact CB-CD2 4.06Å; A641-L706 HydrophobicContact CB-CG 4.27Å; V642-L706 PolarHBondContact N-O 2.89Å; I704-L706 VanDerWaalsContact C-N 3.34Å; I704-L706 PolarHBondContact O-N 2.86Å; L706-I708 HydrophobicContact CD1-CG1 4.28Å; L706-I708 HydrophobicContact CD2-CD1 4.05Å; L706-I708 HydrophobicContact CD2-CG1 4.17Å; L706-I708 HydrophobicContact CG-CD1 4.36Å; L706-I708 HydrophobicContact CG-CG1 3.96Å; L706-Q740 WeakPolarHBondContact CA-O 3.5Å; L706-Q740 HydrophobicContact CD1-CB 4.19Å; L706-Q740 HydrophobicContact CD1-CG 4.41Å; L706-V742 HydrophobicContact CD1-CG2 3.88Å
707L94.3Very high89.3Confident0 Ų048.4 Ų48.40%026%0.259CS..EExtended strand (participates in β ladder)trans-115.4122.3170.6179.261.2000109.6V642 V644 I704 H709 R722 L725 F726 Q740 S741 V742V642-L707 HydrophobicContact CB-CD1 4.31Å; V642-L707 HydrophobicContact CG1-CD1 4.39Å; V642-L707 CarbonylContact O-C 3.59Å; V642-L707 WeakPolarHBondContact O-CA 3.39Å; V644-L707 HydrophobicContact CG2-CD1 3.78Å; I704-L707 HydrophobicContact CD1-CB 4.28Å; L707-H709 WeakPolarHBondContact CD2-NE2 3.39Å; L707-R722 HydrophobicContact CD2-CB 4.34Å; L707-L725 HydrophobicContact CD1-CD1 3.74Å; L707-F726 HydrophobicContact CB-CE1 4.36Å; L707-F726 HydrophobicContact CB-CE2 3.74Å; L707-F726 HydrophobicContact CB-CZ 3.44Å; L707-F726 VanDerWaalsContact CB-CZ 3.44Å; L707-F726 HydrophobicContact CD2-CD2 4.32Å; L707-F726 HydrophobicContact CD2-CE2 3.66Å; L707-F726 HydrophobicContact CD2-CZ 4.27Å; L707-F726 HydrophobicContact CG-CE2 4.36Å; L707-Q740 PolarHBondContact N-O 3.49Å; L707-S741 CarbonylContact O-C 3.27Å; L707-S741 VanDerWaalsContact O-CA 3.3Å; L707-S741 WeakPolarHBondContact O-CA 3.25Å; L707-V742 PolarHBondContact O-N 3.13Å
708I95Very high89.6Confident1 Ų147.9 Ų47.91%0.00525%0.247CC..EExtended strand (participates in β ladder)trans-110.5123178.7-53167.5000109L626 L629 V642 M643 V644 L688 L706 Y710 V742 F744L626-I708 HydrophobicContact CD1-CD1 3.85Å; L629-I708 HydrophobicContact CD2-CD1 3.53Å; L629-I708 HydrophobicContact CD2-CG1 3.8Å; V642-I708 PolarHBondContact O-N 2.81Å; M643-I708 CarbonylContact C-O 3.56Å; M643-I708 VanDerWaalsContact CA-O 3.28Å; M643-I708 WeakPolarHBondContact CA-O 3.41Å; M643-I708 HydrophobicContact CB-CB 4.16Å; M643-I708 HydrophobicContact CE-CB 4.16Å; M643-I708 HydrophobicContact CE-CD1 3.71Å; M643-I708 HydrophobicContact CE-CG2 3.96Å; M643-I708 HydrophobicContact CG-CB 4.06Å; M643-I708 HydrophobicContact CG-CG2 4.21Å; V644-I708 PolarHBondContact N-O 2.83Å; L688-I708 HydrophobicContact CD1-CD1 4.45Å; L706-I708 HydrophobicContact CD1-CG1 4.28Å; L706-I708 HydrophobicContact CD2-CD1 4.05Å; L706-I708 HydrophobicContact CD2-CG1 4.17Å; L706-I708 HydrophobicContact CG-CD1 4.36Å; L706-I708 HydrophobicContact CG-CG1 3.96Å; I708-Y710 PolarHBondContact O-N 3.33Å; I708-V742 CarbonylContact C-O 3.57Å; I708-V742 WeakPolarHBondContact CA-O 3.26Å; I708-F744 HydrophobicContact CG2-CE2 4.38Å; I708-F744 HydrophobicContact CG2-CZ 4.5Å
709H96Very high90Very high0 Ų039.9 Ų39.90%022%0.217CC..EExtended strand (participates in β ladder)trans-96.690.8173-52.6-116000107.3L707 S711 F719 R722 F723 S741 V742 V743 F744L707-H709 WeakPolarHBondContact CD2-NE2 3.39Å; H709-S711 VanDerWaalsContact C-N 3.28Å; H709-S711 PolarHBondContact O-N 3.14Å; H709-F719 HydrophobicContact CB-CE2 4.33Å; H709-F719 AromaticContact CE1-CE2 3.86Å; H709-F719 AromaticContact CG-CE2 3.93Å; H709-F719 AromaticContact ND1-CD2 3.76Å; H709-F719 AromaticContact ND1-CE2 3.31Å; H709-F719 VanDerWaalsContact ND1-CE2 3.31Å; H709-F719 WeakPolarHBondContact ND1-CE2 3.35Å; H709-R722 VanDerWaalsContact ND1-CD 3.3Å; H709-R722 WeakPolarHBondContact ND1-CD 3.3Å; H709-F723 AromaticContact CE1-CE2 3.53Å; H709-F723 AromaticContact CE1-CZ 3.87Å; H709-F723 AromaticContact NE2-CE2 3.91Å; H709-F723 AromaticContact NE2-CZ 3.77Å; H709-S741 PolarHBondContact CD2-OG 2.87Å; H709-S741 VanDerWaalsContact CD2-OG 3.29Å; H709-S741 PolarHBondContact NE2-OG 2.91Å; H709-V742 PolarHBondContact CD2-O 2.88Å; H709-V742 PolarHBondContact N-O 2.85Å; H709-V743 HydrophobicContact CB-CB 4.41Å; H709-V743 HydrophobicContact CB-CG1 4.27Å; H709-V743 HydrophobicContact CB-CG2 4.24Å; H709-F744 PolarHBondContact O-N 2.83Å
710Y94.7Very high90.3Very high9 Ų940 Ų404%0.03522%0.217CC..SBendtrans-64.5-38-176.1-171.8-92.9000112.1E619 K622 I623 M643 V644 E650 L654 I708 F744E619-Y710 PolarHBondContact OE2-OH 3.27Å; K622-Y710 HydrophobicContact CB-CE2 4.4Å; K622-Y710 HydrophobicContact CD-CE1 4.47Å; K622-Y710 PolarHBondContact NZ-O 3.13Å; I623-Y710 HydrophobicContact CD1-CE2 4.4Å; M643-Y710 HydrophobicContact SD-CD2 3.94Å; M643-Y710 HydrophobicContact SD-CG 4.29Å; V644-Y710 PolarHBondContact O-N 2.84Å; V644-Y710 VanDerWaalsContact O-N 3.11Å; E650-Y710 HydrophobicContact CG-CD1 4.26Å; E650-Y710 HydrophobicContact CG-CE1 4.4Å; E650-Y710 WeakPolarHBondContact OE1-CD1 3.23Å; L654-Y710 HydrophobicContact CD1-CD2 4.4Å; L654-Y710 HydrophobicContact CD1-CE2 3.74Å; L654-Y710 HydrophobicContact CD2-CD1 4.13Å; L654-Y710 HydrophobicContact CD2-CD2 3.65Å; L654-Y710 HydrophobicContact CD2-CE1 4.3Å; L654-Y710 HydrophobicContact CD2-CE2 3.8Å; L654-Y710 HydrophobicContact CD2-CG 3.82Å; L654-Y710 HydrophobicContact CG-CE2 4.44Å; I708-Y710 PolarHBondContact O-N 3.33Å; Y710-F744 HydrophobicContact CD2-CD2 4.06Å; Y710-F744 HydrophobicContact CD2-CE2 4.31Å; Y710-F744 HydrophobicContact CE2-CD2 4.44Å
711S92.1Very high90.7Very high16 Ų1633.5 Ų33.511%0.11219%0.191CC..SBendtrans-138.1148.7174.9-73.50000109.9E650 H709 R722E650-S711 WeakPolarHBondContact OE1-CB 3.34Å; E650-S711 PolarHBondContact OE1-OG 3.44Å; H709-S711 VanDerWaalsContact C-N 3.28Å; H709-S711 PolarHBondContact O-N 3.14Å; S711-R722 PolarHBondContact O-NH1 3.21Å; S711-R722 PolarHBondContact O-NH2 3.24Å; S711-R722 VanDerWaalsContact O-NH2 3.11Å
712F91.8Very high91.4Very high15 Ų1533.2 Ų33.27%0.06619%0.189CC..  trans-59.8153.9174.2-81.6-75.1000111.8F719 V743 A745 D749 N752 L756F712-F719 AromaticContact CD1-CD2 3.99Å; F712-F719 HydrophobicContact CD1-CD2 3.99Å; F712-F719 HydrophobicContact CD1-CE2 4.02Å; F712-F719 HydrophobicContact CE1-CD2 4.42Å; F712-F719 HydrophobicContact CE1-CE2 4.05Å; F712-F719 HydrophobicContact CE1-CZ 4.41Å; F712-V743 HydrophobicContact CE1-CG1 3.87Å; F712-V743 HydrophobicContact CE2-CG1 4.41Å; F712-V743 HydrophobicContact CZ-CG1 3.76Å; F712-A745 HydrophobicContact CE2-CB 3.55Å; F712-A745 HydrophobicContact CZ-CB 3.96Å; F712-D749 HydrophobicContact CD2-CB 3.8Å; F712-D749 WeakPolarHBondContact CD2-OD2 3.33Å; F712-D749 HydrophobicContact CE2-CB 3.76Å; F712-N752 WeakPolarHBondContact CB-ND2 3.41Å; F712-N752 HydrophobicContact CD1-CB 3.55Å; F712-N752 HydrophobicContact CD2-CB 4Å; F712-N752 HydrophobicContact CE1-CB 3.56Å; F712-N752 HydrophobicContact CE2-CB 3.97Å; F712-N752 HydrophobicContact CG-CB 3.79Å; F712-N752 HydrophobicContact CZ-CB 3.77Å; F712-L756 HydrophobicContact CE1-CD1 3.74Å; F712-L756 HydrophobicContact CE1-CG 4.47Å; F712-L756 HydrophobicContact CZ-CD1 3.57Å
713A90.9Very high91.9Very high5 Ų531.5 Ų31.54%0.04117%0.17CC..  trans-75.6156171.500000110.1D693 M715 R718 F719D693-A713 WeakPolarHBondContact OD2-CB 3.43Å; A713-M715 PolarHBondContact O-N 3.03Å; A713-R718 HydrophobicContact CB-CB 3.86Å; A713-F719 HydrophobicContact CB-CB 3.86Å
714S86.9Confident92.3Very high104 Ų10427 Ų2773%0.72715%0.153SC*.SBendtrans-61.5-23.4175.557.10000113.7
715M90.6Very high92.6Very high106 Ų10627.4 Ų27.452%0.52216%0.155SC..SBendtrans-138.4143.7179-63.2-176.7-71.900110.7A713 A717 R718 F719A713-M715 PolarHBondContact O-N 3.03Å; M715-A717 VanDerWaalsContact C-N 3.27Å; M715-A717 PolarHBondContact O-N 3.12Å; M715-R718 HydrophobicContact CB-CG 4.31Å; M715-R718 HydrophobicContact CE-CG 3.9Å; M715-R718 WeakPolarHBondContact O-CB 3.43Å; M715-R718 PolarHBondContact O-N 3.3Å; M715-F719 PolarHBondContact O-N 3.02Å; M715-F719 VanDerWaalsContact O-N 3.08Å
716W92.3Very high92.8Very high53 Ų5326.3 Ų26.320%0.20115%0.148CC..Hα-helixtrans-57-39178.4-175.9-122.9000113.1L601 R718 F719 K720 K755 L756L601-W716 HydrophobicContact CD2-CH2 4.26Å; L601-W716 HydrophobicContact CD2-CZ2 3.93Å; W716-R718 VanDerWaalsContact C-N 3.29Å; W716-R718 PolarHBondContact O-N 3.17Å; W716-F719 HydrophobicContact CD2-CD1 4.44Å; W716-F719 HydrophobicContact CE3-CB 4.22Å; W716-F719 AromaticContact CE3-CD1 3.64Å; W716-F719 HydrophobicContact CE3-CD1 3.64Å; W716-F719 HydrophobicContact CE3-CE1 4.38Å; W716-F719 HydrophobicContact CE3-CG 4.16Å; W716-F719 AromaticContact CH2-CD1 3.69Å; W716-F719 HydrophobicContact CH2-CD1 3.69Å; W716-F719 AromaticContact CH2-CE1 3.69Å; W716-F719 HydrophobicContact CH2-CE1 3.69Å; W716-F719 HydrophobicContact CZ2-CD1 4.48Å; W716-F719 AromaticContact CZ3-CD1 3.21Å; W716-F719 HydrophobicContact CZ3-CD1 3.21Å; W716-F719 AromaticContact CZ3-CE1 3.5Å; W716-F719 HydrophobicContact CZ3-CE1 3.5Å; W716-F719 HydrophobicContact CZ3-CG 4.03Å; W716-F719 HydrophobicContact CZ3-CZ 4.49Å; W716-F719 WeakPolarHBondContact O-CB 3.44Å; W716-F719 PolarHBondContact O-N 3.21Å; W716-K720 HydrophobicContact CD2-CG 4.29Å; W716-K720 HydrophobicContact CZ2-CD 4.27Å; W716-K720 HydrophobicContact CZ2-CG 4.17Å; W716-K720 WeakPolarHBondContact O-CG 3.49Å; W716-K720 PolarHBondContact O-N 3.27Å; W716-K755 HydrophobicContact CB-CD 3.95Å; W716-K755 HydrophobicContact CD2-CB 4.09Å; W716-K755 HydrophobicContact CD2-CD 3.88Å; W716-K755 HydrophobicContact CD2-CG 4.47Å; W716-K755 HydrophobicContact CE3-CB 3.96Å; W716-K755 HydrophobicContact CE3-CD 3.97Å; W716-K755 HydrophobicContact CG-CD 3.87Å; W716-K755 HydrophobicContact CH2-CB 4.09Å; W716-K755 HydrophobicContact CZ2-CB 4.2Å; W716-K755 HydrophobicContact CZ3-CB 3.95Å; W716-L756 HydrophobicContact CH2-CD2 4.03Å; W716-L756 HydrophobicContact CH2-CG 4.32Å; W716-L756 HydrophobicContact CZ3-CD2 4.41Å; W716-L756 HydrophobicContact CZ3-CG 4.4Å
717A91.1Very high92.8Very high67 Ų6726.3 Ų26.355%0.55415%0.147SC*.Hα-helixtrans-60.4-38.1176.600000112.5M715 N721M715-A717 VanDerWaalsContact C-N 3.27Å; M715-A717 PolarHBondContact O-N 3.12Å; A717-N721 WeakPolarHBondContact O-CB 3.44Å; A717-N721 PolarHBondContact O-N 3.31Å
718R92.9Very high92.4Very high70 Ų7027.3 Ų27.326%0.26416%0.156SC..Hα-helixtrans-70.5-41.6176.5-64.3-173.271.9127.64.7111.2D693 D694 A713 M715 W716 K720 N721 R722D693-R718 PolarHBondContact O-NH2 3.31Å; D694-R718 VanDerWaalsContact N-NH2 3.16Å; D694-R718 IonicContact OD1-CZ 2.67Å; D694-R718 IonicContact OD1-NH1 2.82Å; D694-R718 PolarHBondContact OD1-NH1 3.27Å; D694-R718 IonicContact OD1-NH2 3.67Å; D694-R718 PolarHBondContact OD1-NH2 3.41Å; A713-R718 HydrophobicContact CB-CB 3.86Å; M715-R718 HydrophobicContact CB-CG 4.31Å; M715-R718 HydrophobicContact CE-CG 3.9Å; M715-R718 WeakPolarHBondContact O-CB 3.43Å; M715-R718 PolarHBondContact O-N 3.3Å; W716-R718 VanDerWaalsContact C-N 3.29Å; W716-R718 PolarHBondContact O-N 3.17Å; R718-K720 PolarHBondContact O-N 2.96Å; R718-N721 WeakPolarHBondContact O-CB 3.25Å; R718-N721 PolarHBondContact O-N 3.37Å; R718-N721 VanDerWaalsContact O-N 3.13Å; R718-R722 PolarHBondContact O-N 3.03Å
719F95.3Very high92Very high1 Ų127.9 Ų27.90%0.00416%0.159CC..Hα-helixtrans-56.5-49.7174.2176-96.3000111.5H709 F712 A713 M715 W716 N721 R722 F723 V743 L756H709-F719 HydrophobicContact CB-CE2 4.33Å; H709-F719 AromaticContact CE1-CE2 3.86Å; H709-F719 AromaticContact CG-CE2 3.93Å; H709-F719 AromaticContact ND1-CD2 3.76Å; H709-F719 AromaticContact ND1-CE2 3.31Å; H709-F719 VanDerWaalsContact ND1-CE2 3.31Å; H709-F719 WeakPolarHBondContact ND1-CE2 3.35Å; F712-F719 AromaticContact CD1-CD2 3.99Å; F712-F719 HydrophobicContact CD1-CD2 3.99Å; F712-F719 HydrophobicContact CD1-CE2 4.02Å; F712-F719 HydrophobicContact CE1-CD2 4.42Å; F712-F719 HydrophobicContact CE1-CE2 4.05Å; F712-F719 HydrophobicContact CE1-CZ 4.41Å; A713-F719 HydrophobicContact CB-CB 3.86Å; M715-F719 PolarHBondContact O-N 3.02Å; M715-F719 VanDerWaalsContact O-N 3.08Å; W716-F719 HydrophobicContact CD2-CD1 4.44Å; W716-F719 HydrophobicContact CE3-CB 4.22Å; W716-F719 AromaticContact CE3-CD1 3.64Å; W716-F719 HydrophobicContact CE3-CD1 3.64Å; W716-F719 HydrophobicContact CE3-CE1 4.38Å; W716-F719 HydrophobicContact CE3-CG 4.16Å; W716-F719 AromaticContact CH2-CD1 3.69Å; W716-F719 HydrophobicContact CH2-CD1 3.69Å; W716-F719 AromaticContact CH2-CE1 3.69Å; W716-F719 HydrophobicContact CH2-CE1 3.69Å; W716-F719 HydrophobicContact CZ2-CD1 4.48Å; W716-F719 AromaticContact CZ3-CD1 3.21Å; W716-F719 HydrophobicContact CZ3-CD1 3.21Å; W716-F719 AromaticContact CZ3-CE1 3.5Å; W716-F719 HydrophobicContact CZ3-CE1 3.5Å; W716-F719 HydrophobicContact CZ3-CG 4.03Å; W716-F719 HydrophobicContact CZ3-CZ 4.49Å; W716-F719 WeakPolarHBondContact O-CB 3.44Å; W716-F719 PolarHBondContact O-N 3.21Å; F719-N721 VanDerWaalsContact C-N 3.29Å; F719-N721 PolarHBondContact O-N 3.09Å; F719-R722 VanDerWaalsContact O-CB 3.29Å; F719-R722 WeakPolarHBondContact O-CB 3.15Å; F719-R722 PolarHBondContact O-N 2.82Å; F719-R722 VanDerWaalsContact O-N 3.15Å; F719-F723 HydrophobicContact CD1-CE2 4.38Å; F719-F723 AromaticContact CE1-CE2 3.81Å; F719-F723 HydrophobicContact CE1-CE2 3.81Å; F719-F723 HydrophobicContact CE1-CZ 4.46Å; F719-F723 AromaticContact CZ-CE2 3.99Å; F719-F723 HydrophobicContact CZ-CE2 3.99Å; F719-F723 HydrophobicContact CZ-CZ 4.41Å; F719-V743 HydrophobicContact CE2-CG1 4.33Å; F719-V743 HydrophobicContact CE2-CG2 4.23Å; F719-V743 HydrophobicContact CZ-CG2 3.96Å; F719-L756 HydrophobicContact CE1-CD2 4.16Å; F719-L756 HydrophobicContact CZ-CD2 4.22Å
720K94.7Very high91.3Very high18 Ų1828.8 Ų28.88%0.07816%0.164CC..Hα-helixtrans-59.7-40175.8-67.5-168.4-64.8179.30112N417 D599 L601 W716 R718 R722 F723N417-K720 VanDerWaalsContact CG-NZ 3.3Å; N417-K720 PolarHBondContact ND2-NZ 3.04Å; N417-K720 PolarHBondContact OD1-NZ 3.33Å; D599-K720 WeakPolarHBondContact OD2-CD 3.37Å; D599-K720 VanDerWaalsContact OD2-CE 3.24Å; D599-K720 WeakPolarHBondContact OD2-CE 3.36Å; D599-K720 IonicContact OD2-NZ 3.11Å; D599-K720 PolarHBondContact OD2-NZ 3.19Å; L601-K720 HydrophobicContact CB-CB 4.02Å; L601-K720 HydrophobicContact CB-CD 4.22Å; L601-K720 HydrophobicContact CB-CG 3.91Å; L601-K720 HydrophobicContact CD2-CD 4.12Å; L601-K720 HydrophobicContact CD2-CG 3.82Å; W716-K720 HydrophobicContact CD2-CG 4.29Å; W716-K720 HydrophobicContact CZ2-CD 4.27Å; W716-K720 HydrophobicContact CZ2-CG 4.17Å; W716-K720 WeakPolarHBondContact O-CG 3.49Å; W716-K720 PolarHBondContact O-N 3.27Å; R718-K720 PolarHBondContact O-N 2.96Å; K720-R722 PolarHBondContact O-N 3.01Å; K720-F723 WeakPolarHBondContact O-CB 3.34Å; K720-F723 WeakPolarHBondContact O-CD2 3.32Å; K720-F723 PolarHBondContact O-N 3.26Å; K720-F723 VanDerWaalsContact O-N 3.1Å
721N93.4Very high90.2Very high49 Ų4932.7 Ų32.726%0.26218%0.181SC..Hα-helixtrans-64.1-22.2179.2-167.247.2000113.8V696 A717 R718 F719 F723 S724V696-N721 WeakPolarHBondContact CG1-O 3.41Å; A717-N721 WeakPolarHBondContact O-CB 3.44Å; A717-N721 PolarHBondContact O-N 3.31Å; R718-N721 WeakPolarHBondContact O-CB 3.25Å; R718-N721 PolarHBondContact O-N 3.37Å; R718-N721 VanDerWaalsContact O-N 3.13Å; F719-N721 VanDerWaalsContact C-N 3.29Å; F719-N721 PolarHBondContact O-N 3.09Å; N721-F723 PolarHBondContact O-N 2.97Å; N721-S724 VanDerWaalsContact O-CB 3.23Å; N721-S724 WeakPolarHBondContact O-CB 3.37Å; N721-S724 PolarHBondContact O-N 3.42Å; N721-S724 PolarHBondContact O-OG 3.13Å
722R95.3Very high88.6Confident0 Ų034 Ų340%019%0.19CC..G310 helixtrans-57.3-31.3172.5-62.5177.6179.6-172.41.2112.6V644 D693 L707 H709 S711 R718 F719 K720 S724 L725V644-R722 HydrophobicContact CB-CG 4.49Å; V644-R722 HydrophobicContact CG1-CG 4.14Å; V644-R722 HydrophobicContact CG2-CG 4.31Å; D693-R722 WeakPolarHBondContact OD1-CG 3.44Å; D693-R722 IonicContact OD1-CZ 3.05Å; D693-R722 IonicContact OD1-NE 3.59Å; D693-R722 PolarHBondContact OD1-NE 3.29Å; D693-R722 IonicContact OD1-NH2 3.45Å; D693-R722 IonicContact OD2-CZ 3.13Å; D693-R722 IonicContact OD2-NE 2.66Å; D693-R722 IonicContact OD2-NH2 3.72Å; D693-R722 PolarHBondContact OD2-NH2 3.29Å; L707-R722 HydrophobicContact CD2-CB 4.34Å; H709-R722 VanDerWaalsContact ND1-CD 3.3Å; H709-R722 WeakPolarHBondContact ND1-CD 3.3Å; S711-R722 PolarHBondContact O-NH1 3.21Å; S711-R722 PolarHBondContact O-NH2 3.24Å; S711-R722 VanDerWaalsContact O-NH2 3.11Å; R718-R722 PolarHBondContact O-N 3.03Å; F719-R722 VanDerWaalsContact O-CB 3.29Å; F719-R722 WeakPolarHBondContact O-CB 3.15Å; F719-R722 PolarHBondContact O-N 2.82Å; F719-R722 VanDerWaalsContact O-N 3.15Å; K720-R722 PolarHBondContact O-N 3.01Å; R722-S724 PolarHBondContact O-N 2.87Å; R722-L725 WeakPolarHBondContact O-CB 3.07Å; R722-L725 VanDerWaalsContact O-CG 3.31Å; R722-L725 WeakPolarHBondContact O-CG 3.26Å; R722-L725 PolarHBondContact O-N 3.15Å
723F94.6Very high86.7Confident3 Ų336.9 Ų36.91%0.01321%0.21CC..G310 helixtrans-69.6-11.5177.9-70.3-96.8000113.4A600 L601 S604 L611 H709 F719 K720 N721 L725 F726 S741A600-F723 HydrophobicContact CB-CB 4.02Å; A600-F723 WeakPolarHBondContact O-CB 3.45Å; L601-F723 HydrophobicContact CB-CD2 4.23Å; L601-F723 HydrophobicContact CB-CG 4.39Å; L601-F723 HydrophobicContact CD1-CD1 3.91Å; L601-F723 HydrophobicContact CD1-CD2 3.91Å; L601-F723 HydrophobicContact CD1-CE1 3.7Å; L601-F723 HydrophobicContact CD1-CE2 3.71Å; L601-F723 HydrophobicContact CD1-CG 4.01Å; L601-F723 HydrophobicContact CD1-CZ 3.61Å; S604-F723 WeakPolarHBondContact OG-CB 3.45Å; S604-F723 WeakPolarHBondContact OG-CD1 3.46Å; L611-F723 HydrophobicContact CD1-CE1 4.45Å; L611-F723 HydrophobicContact CD1-CZ 4.1Å; H709-F723 AromaticContact CE1-CE2 3.53Å; H709-F723 AromaticContact CE1-CZ 3.87Å; H709-F723 AromaticContact NE2-CE2 3.91Å; H709-F723 AromaticContact NE2-CZ 3.77Å; F719-F723 HydrophobicContact CD1-CE2 4.38Å; F719-F723 AromaticContact CE1-CE2 3.81Å; F719-F723 HydrophobicContact CE1-CE2 3.81Å; F719-F723 HydrophobicContact CE1-CZ 4.46Å; F719-F723 AromaticContact CZ-CE2 3.99Å; F719-F723 HydrophobicContact CZ-CE2 3.99Å; F719-F723 HydrophobicContact CZ-CZ 4.41Å; K720-F723 WeakPolarHBondContact O-CB 3.34Å; K720-F723 WeakPolarHBondContact O-CD2 3.32Å; K720-F723 PolarHBondContact O-N 3.26Å; K720-F723 VanDerWaalsContact O-N 3.1Å; N721-F723 PolarHBondContact O-N 2.97Å; F723-L725 PolarHBondContact O-N 3.31Å; F723-L725 VanDerWaalsContact O-N 3.14Å; F723-F726 HydrophobicContact CD1-CD2 4.08Å; F723-F726 HydrophobicContact CD1-CE2 4.07Å; F723-F726 WeakPolarHBondContact O-CB 3.44Å; F723-F726 PolarHBondContact O-N 3.45Å; F723-S741 WeakPolarHBondContact CZ-OG 3.42Å
724S93.5Very high84.9Confident19 Ų1940.8 Ų40.813%0.13323%0.234CC..G310 helixtrans-62.2-20.9174.365.10000112.6A600 N721 R722 F726 Y727A600-S724 VanDerWaalsContact CB-N 3.34Å; N721-S724 VanDerWaalsContact O-CB 3.23Å; N721-S724 WeakPolarHBondContact O-CB 3.37Å; N721-S724 PolarHBondContact O-N 3.42Å; N721-S724 PolarHBondContact O-OG 3.13Å; R722-S724 PolarHBondContact O-N 2.87Å; S724-F726 PolarHBondContact O-N 2.89Å; S724-Y727 VanDerWaalsContact O-CB 3.26Å; S724-Y727 WeakPolarHBondContact O-CB 3.19Å; S724-Y727 VanDerWaalsContact O-CG 3.22Å; S724-Y727 PolarHBondContact O-N 3.48Å
725L92.6Very high83.1Confident9 Ų943 Ų435%0.04724%0.242CC..G310 helixtrans-61.3-24.7173.3-60.9175.2000112.3V642 V644 V696 L699 I704 L707 R722 F723 Y727V642-L725 HydrophobicContact CB-CD1 4.44Å; V642-L725 HydrophobicContact CG1-CD1 3.88Å; V644-L725 HydrophobicContact CG2-CD1 4.46Å; V696-L725 HydrophobicContact CG1-CG 4.45Å; L699-L725 HydrophobicContact CB-CD2 4.08Å; L699-L725 HydrophobicContact CD2-CD2 3.89Å; L699-L725 HydrophobicContact CG-CD2 4.38Å; I704-L725 HydrophobicContact CD1-CB 3.53Å; I704-L725 HydrophobicContact CD1-CD1 4.5Å; I704-L725 HydrophobicContact CG1-CB 4.28Å; I704-L725 WeakPolarHBondContact CG1-O 3.08Å; L707-L725 HydrophobicContact CD1-CD1 3.74Å; R722-L725 WeakPolarHBondContact O-CB 3.07Å; R722-L725 VanDerWaalsContact O-CG 3.31Å; R722-L725 WeakPolarHBondContact O-CG 3.26Å; R722-L725 PolarHBondContact O-N 3.15Å; F723-L725 PolarHBondContact O-N 3.31Å; F723-L725 VanDerWaalsContact O-N 3.14Å; L725-Y727 VanDerWaalsContact C-N 3.33Å
726F91.4Very high81.3Confident0 Ų047.4 Ų47.40%025%0.253CS..G310 helixtrans-79.8-8.1174.8-69-62.8000114.3V609 I704 L707 F723 S724 A728 N729 L730V609-F726 HydrophobicContact CG1-CD2 3.98Å; V609-F726 HydrophobicContact CG1-CE1 4.35Å; V609-F726 HydrophobicContact CG1-CE2 3.62Å; V609-F726 HydrophobicContact CG1-CG 4.49Å; V609-F726 HydrophobicContact CG1-CZ 3.82Å; V609-F726 HydrophobicContact CG2-CB 4.26Å; V609-F726 HydrophobicContact CG2-CD1 4.33Å; V609-F726 HydrophobicContact CG2-CD2 4.12Å; V609-F726 HydrophobicContact CG2-CG 4Å; I704-F726 HydrophobicContact CD1-CD1 4.22Å; I704-F726 HydrophobicContact CD1-CE1 4.09Å; I704-F726 HydrophobicContact CG1-CD1 4.07Å; I704-F726 HydrophobicContact CG1-CE1 4.21Å; I704-F726 VanDerWaalsContact O-CE1 3.27Å; I704-F726 WeakPolarHBondContact O-CE1 3.5Å; L707-F726 HydrophobicContact CB-CE1 4.36Å; L707-F726 HydrophobicContact CB-CE2 3.74Å; L707-F726 HydrophobicContact CB-CZ 3.44Å; L707-F726 VanDerWaalsContact CB-CZ 3.44Å; L707-F726 HydrophobicContact CD2-CD2 4.32Å; L707-F726 HydrophobicContact CD2-CE2 3.66Å; L707-F726 HydrophobicContact CD2-CZ 4.27Å; L707-F726 HydrophobicContact CG-CE2 4.36Å; F723-F726 HydrophobicContact CD1-CD2 4.08Å; F723-F726 HydrophobicContact CD1-CE2 4.07Å; F723-F726 WeakPolarHBondContact O-CB 3.44Å; F723-F726 PolarHBondContact O-N 3.45Å; S724-F726 PolarHBondContact O-N 2.89Å; F726-A728 PolarHBondContact O-N 3.16Å; F726-N729 WeakPolarHBondContact O-CA 3.42Å; F726-N729 WeakPolarHBondContact O-CB 3.5Å; F726-N729 PolarHBondContact O-N 2.97Å; F726-L730 WeakPolarHBondContact O-CG 3.24Å; F726-L730 PolarHBondContact O-N 2.86Å
727Y90.1Very high79.6Confident8 Ų848.8 Ų48.83%0.03127%0.269CS..G310 helixtrans-56.9-30.7-176.4-74.3-3.7000113.7N353 G356 L358 A600 A603 S724 L725 L730N353-Y727 HydrophobicContact CB-CD2 3.98Å; N353-Y727 HydrophobicContact CB-CG 4.29Å; G356-Y727 PolarHBondContact O-OH 3.1Å; G356-Y727 VanDerWaalsContact O-OH 3.14Å; L358-Y727 HydrophobicContact CB-CD1 3.97Å; L358-Y727 HydrophobicContact CB-CD2 4.47Å; L358-Y727 HydrophobicContact CB-CE1 3.72Å; L358-Y727 HydrophobicContact CB-CE2 4.25Å; L358-Y727 HydrophobicContact CB-CG 4.33Å; L358-Y727 HydrophobicContact CD1-CD1 4.13Å; L358-Y727 HydrophobicContact CD1-CG 4.13Å; L358-Y727 HydrophobicContact CD2-CD1 4.47Å; L358-Y727 HydrophobicContact CG-CD1 4.43Å; A600-Y727 WeakPolarHBondContact CA-OH 3.37Å; A600-Y727 HydrophobicContact CB-CE1 3.74Å; A600-Y727 WeakPolarHBondContact CB-OH 3.24Å; A603-Y727 HydrophobicContact CB-CE1 3.91Å; S724-Y727 VanDerWaalsContact O-CB 3.26Å; S724-Y727 WeakPolarHBondContact O-CB 3.19Å; S724-Y727 VanDerWaalsContact O-CG 3.22Å; S724-Y727 PolarHBondContact O-N 3.48Å; L725-Y727 VanDerWaalsContact C-N 3.33Å; Y727-L730 HydrophobicContact CD1-CD1 4.3Å
728A86.3Confident78.8Confident21 Ų2146.8 Ų46.817%0.17425%0.25CS..G310 helixtrans-70.6-32.2175.600000112.9G702 K703 F726 L730 K731G702-A728 VanDerWaalsContact C-CB 3.47Å; G702-A728 VanDerWaalsContact O-CB 3.23Å; G702-A728 WeakPolarHBondContact O-CB 3.42Å; K703-A728 HydrophobicContact CG-CB 4.34Å; F726-A728 PolarHBondContact O-N 3.16Å; A728-L730 VanDerWaalsContact C-N 3.29Å; A728-K731 PolarHBondContact O-N 2.76Å
729N85.2Confident78.5Confident13 Ų1343.8 Ų43.87%0.0724%0.241CC..G310 helixtrans-68.2-35.5178.1-53.929.1000110.4K703 I704 F726 K731 S732 V738K703-N729 WeakPolarHBondContact CA-OD1 3.47Å; I704-N729 PolarHBondContact N-ND2 3.16Å; I704-N729 PolarHBondContact N-OD1 2.82Å; I704-N729 PolarHBondContact O-ND2 3.38Å; F726-N729 WeakPolarHBondContact O-CA 3.42Å; F726-N729 WeakPolarHBondContact O-CB 3.5Å; F726-N729 PolarHBondContact O-N 2.97Å; N729-K731 PolarHBondContact O-N 2.86Å; N729-K731 VanDerWaalsContact O-N 3.15Å; N729-S732 PolarHBondContact O-N 3.03Å; N729-V738 HydrophobicContact CB-CG1 3.25Å; N729-V738 WeakPolarHBondContact CB-O 3.33Å; N729-V738 PolarHBondContact ND2-O 2.73Å
730L80.8Confident78.2Confident19 Ų1944.8 Ų44.810%0.09925%0.245CC..G310 helixtrans-71.9-2.3-179.7-58.3171.4000114.3T351 L358 F726 Y727 A728 S732 V738T351-L730 PolarHBondContact OG1-O 2.97Å; L358-L730 HydrophobicContact CD1-CB 4.22Å; L358-L730 HydrophobicContact CD1-CD1 4.38Å; L358-L730 HydrophobicContact CD2-CB 4.23Å; L358-L730 HydrophobicContact CD2-CD1 3.46Å; L358-L730 VanDerWaalsContact CD2-CD1 3.46Å; L358-L730 HydrophobicContact CD2-CG 4.43Å; F726-L730 WeakPolarHBondContact O-CG 3.24Å; F726-L730 PolarHBondContact O-N 2.86Å; Y727-L730 HydrophobicContact CD1-CD1 4.3Å; A728-L730 VanDerWaalsContact C-N 3.29Å; L730-S732 VanDerWaalsContact C-N 3.33Å; L730-V738 HydrophobicContact CD2-CB 4.49Å; L730-V738 HydrophobicContact CD2-CG1 3.69Å; L730-V738 HydrophobicContact CG-CG1 4.26Å
731K71.6Confident78.2Confident91 Ų9143.9 Ų43.940%0.39624%0.242SC..G310 helixtrans-77.4-14.9175.7-63.7-167.1174.4-174.60114.1T351 N353 A728 N729T351-K731 HydrophobicContact CG2-CG 3.9Å; N353-K731 VanDerWaalsContact CG-CE 3.42Å; N353-K731 VanDerWaalsContact ND2-CE 3.35Å; N353-K731 WeakPolarHBondContact ND2-CE 3.46Å; N353-K731 VanDerWaalsContact OD1-CE 3.31Å; N353-K731 WeakPolarHBondContact OD1-CE 3.48Å; N353-K731 PolarHBondContact OD1-NZ 2.96Å; A728-K731 PolarHBondContact O-N 2.76Å; N729-K731 PolarHBondContact O-N 2.86Å; N729-K731 VanDerWaalsContact O-N 3.15Å
732S59.2Low78.3Confident44 Ų4441.6 Ų41.631%0.30823%0.229SC..SBendtrans-134.8106-178.3-49.70000109.2K703 N729 L730 T734K703-S732 PolarHBondContact NZ-OG 3.02Å; N729-S732 PolarHBondContact O-N 3.03Å; L730-S732 VanDerWaalsContact C-N 3.33Å; S732-T734 PolarHBondContact O-N 3.24Å
733P52.7Low78.3Confident75 Ų7541.6 Ų41.649%0.48723%0.229SC..  trans-7479.2174.829.6-31.5000109.1P344P344-P733 HydrophobicContact CB-CB 3.78Å; P344-P733 HydrophobicContact CG-CB 3.81Å
734T52.9Low78.3Confident87 Ų8741.4 Ų41.453%0.53423%0.229SC..  trans-89.6149.8167.345.40000109.7S732 R736S732-T734 PolarHBondContact O-N 3.24Å; T734-R736 PolarHBondContact O-N 3Å
735T49.3Very low78.4Confident149 Ų14940.5 Ų40.591%0.91422%0.222SC*.SBendtrans-64.916.2-175.847.90000116.1
736R52Low78.4Confident200 Ų20042.8 Ų42.876%0.75523%0.232SC*.SBendtrans-111.7152.7177.9-72.1-172.6179.6-1750110.5T734 V738T734-R736 PolarHBondContact O-N 3Å; R736-V738 PolarHBondContact O-N 3.37Å
737P57Low78.3Confident82 Ų8244.6 Ų44.653%0.53224%0.244SC..  trans-54.2127.5173.121.8-31.3000109.4Q610 G739Q610-P737 HydrophobicContact CG-CB 4.49Å; P737-G739 PolarHBondContact O-N 3.11Å
738V74.3Confident78.4Confident25 Ų2548.5 Ų48.515%0.15227%0.268CS..  trans-66.9-23-169.2176.40000111.6G607 N729 L730 R736G607-V738 WeakPolarHBondContact O-CB 3.49Å; G607-V738 WeakPolarHBondContact O-CG2 3.23Å; N729-V738 HydrophobicContact CB-CG1 3.25Å; N729-V738 WeakPolarHBondContact CB-O 3.33Å; N729-V738 PolarHBondContact ND2-O 2.73Å; L730-V738 HydrophobicContact CD2-CB 4.49Å; L730-V738 HydrophobicContact CD2-CG1 3.69Å; L730-V738 HydrophobicContact CG-CG1 4.26Å; R736-V738 PolarHBondContact O-N 3.37Å
739G85.6Confident78.6Confident7 Ų749.5 Ų49.57%0.07227%0.271CS..  trans173.7172.7172.300000111.2V609 Q610 P705 P737V609-G739 CarbonylContact C-O 3.39Å; V609-G739 WeakPolarHBondContact CA-O 3.39Å; Q610-G739 PolarHBondContact N-O 3.1Å; P705-G739 CarbonylContact O-C 3.6Å; P705-G739 WeakPolarHBondContact O-CA 3.43Å; P737-G739 PolarHBondContact O-N 3.11Å
740Q90.7Very high78.9Confident21 Ų2149.8 Ų49.810%0.09827%0.273CS..EExtended strand (participates in β ladder)trans-120.3134.4173.1-173.1-177.127.900110.1Q610 P705 L706 L707 V742Q610-Q740 HydrophobicContact CB-CB 4.49Å; Q610-Q740 HydrophobicContact CB-CG 4.24Å; Q610-Q740 CarbonylContact O-C 3.54Å; P705-Q740 PolarHBondContact O-N 2.87Å; L706-Q740 WeakPolarHBondContact CA-O 3.5Å; L706-Q740 HydrophobicContact CD1-CB 4.19Å; L706-Q740 HydrophobicContact CD1-CG 4.41Å; L707-Q740 PolarHBondContact N-O 3.49Å; Q740-V742 HydrophobicContact CG-CG2 4.1Å
741S94.3Very high79.4Confident0 Ų052.7 Ų52.70%029%0.286CS..EExtended strand (participates in β ladder)trans-107.2127.3168.4171.20000109Q610 D612 L707 H709 F723Q610-S741 PolarHBondContact O-N 2.81Å; D612-S741 PolarHBondContact N-O 3.04Å; L707-S741 CarbonylContact O-C 3.27Å; L707-S741 VanDerWaalsContact O-CA 3.3Å; L707-S741 WeakPolarHBondContact O-CA 3.25Å; H709-S741 PolarHBondContact CD2-OG 2.87Å; H709-S741 VanDerWaalsContact CD2-OG 3.29Å; H709-S741 PolarHBondContact NE2-OG 2.91Å; F723-S741 WeakPolarHBondContact CZ-OG 3.42Å
742V94.8Very high80.4Confident0 Ų049.6 Ų49.60%027%0.274CS..EExtended strand (participates in β ladder)trans-118.1122.4176.4-178.20000108.8D612 R614 L629 L706 L707 I708 H709 Q740 F744D612-V742 HydrophobicContact CB-CG2 4.23Å; D612-V742 CarbonylContact O-C 3.55Å; D612-V742 WeakPolarHBondContact O-CA 3.08Å; R614-V742 HydrophobicContact CG-CG1 4.29Å; L629-V742 HydrophobicContact CD1-CG2 4.01Å; L629-V742 HydrophobicContact CD2-CG2 4.32Å; L706-V742 HydrophobicContact CD1-CG2 3.88Å; L707-V742 PolarHBondContact O-N 3.13Å; I708-V742 CarbonylContact C-O 3.57Å; I708-V742 WeakPolarHBondContact CA-O 3.26Å; H709-V742 PolarHBondContact CD2-O 2.88Å; H709-V742 PolarHBondContact N-O 2.85Å; Q740-V742 HydrophobicContact CG-CG2 4.1Å; V742-F744 HydrophobicContact CG1-CD1 4.16Å; V742-F744 HydrophobicContact CG1-CE1 3.75Å
743V95.8Very high82.1Confident0 Ų047.5 Ų47.50%026%0.259CS..EExtended strand (participates in β ladder)trans-107.9123.1-179.1-175.40000110L611 D612 V613 R614 H709 F712 F719 L756L611-V743 HydrophobicContact CD1-CG2 3.96Å; D612-V743 PolarHBondContact O-N 3.13Å; V613-V743 HydrophobicContact CG1-CB 4.46Å; V613-V743 HydrophobicContact CG2-CB 4.27Å; R614-V743 PolarHBondContact N-O 3.12Å; H709-V743 HydrophobicContact CB-CB 4.41Å; H709-V743 HydrophobicContact CB-CG1 4.27Å; H709-V743 HydrophobicContact CB-CG2 4.24Å; F712-V743 HydrophobicContact CE1-CG1 3.87Å; F712-V743 HydrophobicContact CE2-CG1 4.41Å; F712-V743 HydrophobicContact CZ-CG1 3.76Å; F719-V743 HydrophobicContact CE2-CG1 4.33Å; F719-V743 HydrophobicContact CE2-CG2 4.23Å; F719-V743 HydrophobicContact CZ-CG2 3.96Å; V743-L756 HydrophobicContact CG1-CD1 4.45Å
744F95.3Very high84.1Confident0 Ų045.4 Ų45.40%024%0.241CC..EExtended strand (participates in β ladder)trans-91.7111.8168.5-65.5-14.1000109.3R614 K622 H625 L626 I708 H709 Y710 V742R614-F744 HydrophobicContact CB-CD1 4.05Å; R614-F744 HydrophobicContact CB-CE1 4.35Å; R614-F744 HydrophobicContact CG-CE1 4.47Å; R614-F744 WeakPolarHBondContact O-CA 3.41Å; K622-F744 HydrophobicContact CB-CD2 4.36Å; K622-F744 HydrophobicContact CD-CB 4.43Å; K622-F744 HydrophobicContact CD-CD2 4.37Å; K622-F744 HydrophobicContact CG-CD2 4.31Å; H625-F744 HydrophobicContact CB-CE1 4.39Å; H625-F744 HydrophobicContact CB-CZ 4.13Å; L626-F744 HydrophobicContact CB-CE2 4.24Å; L626-F744 HydrophobicContact CB-CZ 4.4Å; I708-F744 HydrophobicContact CG2-CE2 4.38Å; I708-F744 HydrophobicContact CG2-CZ 4.5Å; H709-F744 PolarHBondContact O-N 2.83Å; Y710-F744 HydrophobicContact CD2-CD2 4.06Å; Y710-F744 HydrophobicContact CD2-CE2 4.31Å; Y710-F744 HydrophobicContact CE2-CD2 4.44Å; V742-F744 HydrophobicContact CG1-CD1 4.16Å; V742-F744 HydrophobicContact CG1-CE1 3.75Å
745A94.3Very high86.1Confident0 Ų043.9 Ų43.90%023%0.228CC..EExtended strand (participates in β ladder)trans-108.6140.7179.500000110.3V613 R614 V615 V616 F712 I753V613-A745 HydrophobicContact CG1-CB 4.16Å; R614-A745 PolarHBondContact O-N 2.85Å; V615-A745 CarbonylContact C-O 3.55Å; V615-A745 VanDerWaalsContact CA-O 3.24Å; V615-A745 WeakPolarHBondContact CA-O 3.29Å; V616-A745 PolarHBondContact N-O 2.87Å; F712-A745 HydrophobicContact CE2-CB 3.55Å; F712-A745 HydrophobicContact CZ-CB 3.96Å; A745-I753 HydrophobicContact CB-CG1 4.37Å
746K92.2Very high88.3Confident57 Ų5736.8 Ų36.825%0.24818%0.184CC..  trans-90.8149.8167.6-59.9-172.4178.6-170.30109.5E619 T748 D749 I753E619-K746 WeakPolarHBondContact OE1-CE 3.38Å; E619-K746 IonicContact OE1-NZ 3.54Å; E619-K746 PolarHBondContact OE1-NZ 3.29Å; K746-T748 PolarHBondContact O-N 3.46Å; K746-D749 WeakPolarHBondContact CB-OD2 3.4Å; K746-D749 PolarHBondContact N-OD2 3.03Å; K746-D749 WeakPolarHBondContact O-CB 3.22Å; K746-D749 PolarHBondContact O-N 3.41Å; K746-I753 WeakPolarHBondContact O-CD1 3.18Å
747P91.1Very high90.3Very high38 Ų3827.3 Ų27.325%0.24715%0.148CC..THydrogen-bonded Turntrans-58.5-16.5172.3-2332.5000114.3V615 A617 R778V615-P747 HydrophobicContact CG1-CG 3.75Å; A617-P747 HydrophobicContact CB-CG 4.37Å; P747-R778 PolarHBondContact O-NE 3.06Å; P747-R778 VanDerWaalsContact O-NE 3.12Å; P747-R778 PolarHBondContact O-NH2 2.83Å
748T90.4Very high92Very high90 Ų9024.8 Ų24.855%0.55213%0.13SC*.THydrogen-bonded Turntrans-84.6-11174.551.60000113.5K746 V750 R778K746-T748 PolarHBondContact O-N 3.46Å; T748-V750 PolarHBondContact O-N 3.24Å; T748-R778 VanDerWaalsContact CG2-NH2 3.25Å
749D91.2Very high92.8Very high42 Ų4224.1 Ų24.123%0.22513%0.125CC..  trans-80.241.5-178.2-65.5-39.1000112.6F712 K746 E751 N752 I753F712-D749 HydrophobicContact CD2-CB 3.8Å; F712-D749 WeakPolarHBondContact CD2-OD2 3.33Å; F712-D749 HydrophobicContact CE2-CB 3.76Å; K746-D749 WeakPolarHBondContact CB-OD2 3.4Å; K746-D749 PolarHBondContact N-OD2 3.03Å; K746-D749 WeakPolarHBondContact O-CB 3.22Å; K746-D749 PolarHBondContact O-N 3.41Å; D749-E751 VanDerWaalsContact C-N 3.29Å; D749-E751 PolarHBondContact O-N 3.36Å; D749-E751 VanDerWaalsContact O-N 3.16Å; D749-N752 PolarHBondContact O-N 3.2Å; D749-I753 HydrophobicContact CB-CD1 4.44Å; D749-I753 HydrophobicContact CB-CG1 4.43Å; D749-I753 WeakPolarHBondContact O-CG1 3.5Å; D749-I753 PolarHBondContact O-N 3.06Å
750V91Very high93.1Very high19 Ų1924.5 Ų24.512%0.11513%0.125CC..Hα-helixtrans-50.8-46.6-169-174.50000112.3T748 N752 I753 W754 L775 R778T748-V750 PolarHBondContact O-N 3.24Å; V750-N752 VanDerWaalsContact C-N 3.33Å; V750-N752 PolarHBondContact O-N 2.84Å; V750-I753 PolarHBondContact O-N 3.25Å; V750-W754 WeakPolarHBondContact O-CB 3.36Å; V750-W754 PolarHBondContact O-N 3.2Å; V750-L775 HydrophobicContact CG1-CD2 3.81Å; V750-R778 HydrophobicContact CG1-CB 4.4Å; V750-R778 HydrophobicContact CG2-CB 4.08Å; V750-R778 HydrophobicContact CG2-CG 3.65Å
751E91.9Very high93Very high80 Ų8024.2 Ų24.237%0.37412%0.123SC..Hα-helixtrans-60.1-37.8179.7-80.5-66.9153.800114D749 K755 H806D749-E751 VanDerWaalsContact C-N 3.29Å; D749-E751 PolarHBondContact O-N 3.36Å; D749-E751 VanDerWaalsContact O-N 3.16Å; E751-K755 WeakPolarHBondContact O-CD 3.31Å; E751-K755 WeakPolarHBondContact O-CG 3.43Å; E751-K755 PolarHBondContact O-N 2.96Å; E751-K755 IonicContact OE2-NZ 3.43Å; E751-H806 IonicContact OE1-CE1 2.75Å; E751-H806 PolarHBondContact OE1-CE1 3.04Å; E751-H806 IonicContact OE1-NE2 4Å; E751-H806 PolarHBondContact OE1-NE2 2.85Å; E751-H806 VanDerWaalsContact OE1-NE2 3.1Å; E751-H806 IonicContact OE2-CD2 3.03Å; E751-H806 IonicContact OE2-CE1 3.12Å; E751-H806 PolarHBondContact OE2-CE1 3.1Å; E751-H806 IonicContact OE2-NE2 3.18Å; E751-H806 PolarHBondContact OE2-NE2 3.47Å
752N93.3Very high92.6Very high26 Ų2628.6 Ų28.614%0.13914%0.143CC..Hα-helixtrans-86.1-35.2-179.3-69-44.9000111.5F712 D749 V750 W754 K755 L756F712-N752 WeakPolarHBondContact CB-ND2 3.41Å; F712-N752 HydrophobicContact CD1-CB 3.55Å; F712-N752 HydrophobicContact CD2-CB 4Å; F712-N752 HydrophobicContact CE1-CB 3.56Å; F712-N752 HydrophobicContact CE2-CB 3.97Å; F712-N752 HydrophobicContact CG-CB 3.79Å; F712-N752 HydrophobicContact CZ-CB 3.77Å; D749-N752 PolarHBondContact O-N 3.2Å; V750-N752 VanDerWaalsContact C-N 3.33Å; V750-N752 PolarHBondContact O-N 2.84Å; N752-W754 VanDerWaalsContact C-N 3.3Å; N752-W754 PolarHBondContact O-N 3.4Å; N752-K755 PolarHBondContact O-N 2.65Å; N752-L756 PolarHBondContact O-N 3.32Å
753I95Very high92.2Very high0 Ų029.4 Ų29.40%015%0.146CC..Hα-helixtrans-59.2-43.9171-68.4172.7000109.9A745 K746 D749 V750 K755 L756 C757 L771 I774 L775A745-I753 HydrophobicContact CB-CG1 4.37Å; K746-I753 WeakPolarHBondContact O-CD1 3.18Å; D749-I753 HydrophobicContact CB-CD1 4.44Å; D749-I753 HydrophobicContact CB-CG1 4.43Å; D749-I753 WeakPolarHBondContact O-CG1 3.5Å; D749-I753 PolarHBondContact O-N 3.06Å; V750-I753 PolarHBondContact O-N 3.25Å; I753-K755 VanDerWaalsContact C-N 3.34Å; I753-K755 PolarHBondContact O-N 2.96Å; I753-L756 PolarHBondContact O-N 2.97Å; I753-C757 PolarHBondContact O-N 3.27Å; I753-C757 PolarHBondContact O-SG 3.17Å; I753-C757 VanDerWaalsContact O-SG 3.36Å; I753-L771 HydrophobicContact CG2-CB 3.92Å; I753-L771 HydrophobicContact CG2-CD2 4.3Å; I753-I774 HydrophobicContact CD1-CD1 4.36Å; I753-I774 HydrophobicContact CD1-CG2 4.08Å; I753-L775 HydrophobicContact CB-CD2 4.23Å; I753-L775 HydrophobicContact CG2-CD1 4.42Å; I753-L775 HydrophobicContact CG2-CD2 3.88Å; I753-L775 HydrophobicContact CG2-CG 4.02Å
754W94.7Very high91.5Very high30 Ų3033.9 Ų33.911%0.11417%0.166CC..Hα-helixtrans-58.9-45.7177.1-168.796.8000111.7V750 N752 L756 C757 D758 L775 L804 H806 L960V750-W754 WeakPolarHBondContact O-CB 3.36Å; V750-W754 PolarHBondContact O-N 3.2Å; N752-W754 VanDerWaalsContact C-N 3.3Å; N752-W754 PolarHBondContact O-N 3.4Å; W754-L756 VanDerWaalsContact C-N 3.33Å; W754-L756 PolarHBondContact O-N 3.28Å; W754-C757 PolarHBondContact O-N 3.33Å; W754-D758 HydrophobicContact CE3-CB 4.2Å; W754-D758 HydrophobicContact CH2-CB 4.25Å; W754-D758 HydrophobicContact CZ3-CB 3.88Å; W754-D758 WeakPolarHBondContact O-CB 3.45Å; W754-D758 PolarHBondContact O-N 3.33Å; W754-L775 HydrophobicContact CB-CD1 4.25Å; W754-L775 HydrophobicContact CB-CD2 3.94Å; W754-L775 HydrophobicContact CG-CD1 4.38Å; W754-L804 PolarHBondContact NE1-O 2.86Å; W754-H806 HydrophobicContact CD2-CB 4.06Å; W754-H806 AromaticContact CD2-CD2 3.63Å; W754-H806 AromaticContact CE3-CD2 3.82Å; W754-H806 AromaticContact CG-CD2 3.79Å; W754-H806 HydrophobicContact CH2-CB 4.27Å; W754-H806 HydrophobicContact CZ2-CB 3.76Å; W754-L960 HydrophobicContact CD2-CD1 3.9Å; W754-L960 HydrophobicContact CG-CD1 4.23Å; W754-L960 HydrophobicContact CH2-CD1 4.44Å; W754-L960 HydrophobicContact CZ2-CB 3.97Å; W754-L960 HydrophobicContact CZ2-CD1 3.84Å
755K94.3Very high91Very high56 Ų5634.7 Ų34.724%0.24317%0.17CC..Hα-helixtrans-64.2-35.8177.4-69.7167.2-173.1134.90112.7W716 E751 N752 I753 F759W716-K755 HydrophobicContact CB-CD 3.95Å; W716-K755 HydrophobicContact CD2-CB 4.09Å; W716-K755 HydrophobicContact CD2-CD 3.88Å; W716-K755 HydrophobicContact CD2-CG 4.47Å; W716-K755 HydrophobicContact CE3-CB 3.96Å; W716-K755 HydrophobicContact CE3-CD 3.97Å; W716-K755 HydrophobicContact CG-CD 3.87Å; W716-K755 HydrophobicContact CH2-CB 4.09Å; W716-K755 HydrophobicContact CZ2-CB 4.2Å; W716-K755 HydrophobicContact CZ3-CB 3.95Å; E751-K755 WeakPolarHBondContact O-CD 3.31Å; E751-K755 WeakPolarHBondContact O-CG 3.43Å; E751-K755 PolarHBondContact O-N 2.96Å; E751-K755 IonicContact OE2-NZ 3.43Å; N752-K755 PolarHBondContact O-N 2.65Å; I753-K755 VanDerWaalsContact C-N 3.34Å; I753-K755 PolarHBondContact O-N 2.96Å; K755-F759 WeakPolarHBondContact O-CB 3.26Å; K755-F759 PolarHBondContact O-N 3.19Å
756L94.6Very high90.6Very high0 Ų038.5 Ų38.50%020%0.195CC..Hα-helixtrans-66.8-48.4172.8-77.1170.7000111.2L611 V613 F712 W716 F719 V743 N752 I753 W754 D758 F759 Y760L611-L756 HydrophobicContact CD2-CD2 4.46Å; V613-L756 HydrophobicContact CG1-CD1 4.3Å; V613-L756 HydrophobicContact CG2-CD1 4.16Å; F712-L756 HydrophobicContact CE1-CD1 3.74Å; F712-L756 HydrophobicContact CE1-CG 4.47Å; F712-L756 HydrophobicContact CZ-CD1 3.57Å; W716-L756 HydrophobicContact CH2-CD2 4.03Å; W716-L756 HydrophobicContact CH2-CG 4.32Å; W716-L756 HydrophobicContact CZ3-CD2 4.41Å; W716-L756 HydrophobicContact CZ3-CG 4.4Å; F719-L756 HydrophobicContact CE1-CD2 4.16Å; F719-L756 HydrophobicContact CZ-CD2 4.22Å; V743-L756 HydrophobicContact CG1-CD1 4.45Å; N752-L756 PolarHBondContact O-N 3.32Å; I753-L756 PolarHBondContact O-N 2.97Å; W754-L756 VanDerWaalsContact C-N 3.33Å; W754-L756 PolarHBondContact O-N 3.28Å; L756-D758 VanDerWaalsContact C-N 3.28Å; L756-D758 PolarHBondContact O-N 2.7Å; L756-F759 WeakPolarHBondContact O-CA 3.42Å; L756-F759 WeakPolarHBondContact O-CB 3.45Å; L756-F759 PolarHBondContact O-N 3.3Å; L756-F759 VanDerWaalsContact O-N 3.09Å; L756-Y760 VanDerWaalsContact O-CD2 3.26Å; L756-Y760 WeakPolarHBondContact O-CD2 3.31Å; L756-Y760 PolarHBondContact O-N 3.38Å
757C94.4Very high90.4Very high0 Ų038.5 Ų38.50%019%0.193CC..Hα-helixtrans-57.3-43.4176.2-69.40000111.6I753 W754 F759 Y760 M761 P768 L771 L772 L775 L960I753-C757 PolarHBondContact O-N 3.27Å; I753-C757 PolarHBondContact O-SG 3.17Å; I753-C757 VanDerWaalsContact O-SG 3.36Å; W754-C757 PolarHBondContact O-N 3.33Å; C757-F759 VanDerWaalsContact C-N 3.32Å; C757-F759 PolarHBondContact O-N 2.79Å; C757-Y760 PolarHBondContact O-N 3.24Å; C757-M761 VanDerWaalsContact O-CG 3.27Å; C757-M761 WeakPolarHBondContact O-CG 3.39Å; C757-M761 PolarHBondContact O-N 2.93Å; C757-P768 HydrophobicContact CB-CG 4.39Å; C757-L771 WeakPolarHBondContact SG-CB 3.4Å; C757-L772 HydrophobicContact CB-CD2 3.89Å; C757-L775 HydrophobicContact CB-CD1 4.18Å; C757-L960 HydrophobicContact CB-CD1 3.86Å; C757-L960 HydrophobicContact CB-CD2 4.16Å
758D92.1Very high90.4Very high30 Ų3036.9 Ų36.916%0.1618%0.183CC..Hα-helixtrans-60.4-43.4176.1177.354.8000111.1W754 L756 M761 K762 L960W754-D758 HydrophobicContact CE3-CB 4.2Å; W754-D758 HydrophobicContact CH2-CB 4.25Å; W754-D758 HydrophobicContact CZ3-CB 3.88Å; W754-D758 WeakPolarHBondContact O-CB 3.45Å; W754-D758 PolarHBondContact O-N 3.33Å; L756-D758 VanDerWaalsContact C-N 3.28Å; L756-D758 PolarHBondContact O-N 2.7Å; D758-M761 PolarHBondContact O-N 3.4Å; D758-K762 WeakPolarHBondContact O-CB 3.47Å; D758-K762 WeakPolarHBondContact O-CD 3.43Å; D758-K762 VanDerWaalsContact O-CG 3.3Å; D758-K762 WeakPolarHBondContact O-CG 3.46Å; D758-K762 PolarHBondContact O-N 3.46Å; D758-K762 WeakPolarHBondContact OD1-CE 3.3Å; D758-K762 IonicContact OD1-NZ 2.73Å; D758-K762 PolarHBondContact OD1-NZ 2.81Å; D758-K762 WeakPolarHBondContact OD2-CE 3.45Å; D758-K762 IonicContact OD2-NZ 3.82Å; D758-K762 PolarHBondContact OD2-NZ 2.96Å; D758-L960 HydrophobicContact CB-CD1 3.79Å; D758-L960 HydrophobicContact CB-CG 4.49Å
759F92.3Very high90.4Very high11 Ų1134.6 Ų34.65%0.04818%0.177CC..Hα-helixtrans-61.7-47.4174.8179.5-93.7000112.3L601 V605 L611 K755 L756 C757 M761 K762 H763 L765L601-F759 HydrophobicContact CD1-CE1 4.13Å; L601-F759 HydrophobicContact CD1-CE2 4.11Å; L601-F759 HydrophobicContact CD1-CZ 3.64Å; L601-F759 HydrophobicContact CD2-CD2 3.64Å; L601-F759 HydrophobicContact CD2-CE1 4.33Å; L601-F759 HydrophobicContact CD2-CE2 3.41Å; L601-F759 VanDerWaalsContact CD2-CE2 3.41Å; L601-F759 HydrophobicContact CD2-CG 4.19Å; L601-F759 HydrophobicContact CD2-CZ 3.77Å; L601-F759 HydrophobicContact CG-CD2 4.18Å; L601-F759 HydrophobicContact CG-CE1 4.3Å; L601-F759 HydrophobicContact CG-CE2 3.41Å; L601-F759 VanDerWaalsContact CG-CE2 3.41Å; L601-F759 HydrophobicContact CG-CZ 3.47Å; L601-F759 VanDerWaalsContact CG-CZ 3.47Å; V605-F759 HydrophobicContact CG2-CE1 4.26Å; V605-F759 HydrophobicContact CG2-CE2 4.24Å; V605-F759 HydrophobicContact CG2-CZ 3.45Å; V605-F759 VanDerWaalsContact CG2-CZ 3.45Å; L611-F759 HydrophobicContact CD2-CD1 4.32Å; L611-F759 HydrophobicContact CD2-CE1 4.12Å; K755-F759 WeakPolarHBondContact O-CB 3.26Å; K755-F759 PolarHBondContact O-N 3.19Å; L756-F759 WeakPolarHBondContact O-CA 3.42Å; L756-F759 WeakPolarHBondContact O-CB 3.45Å; L756-F759 PolarHBondContact O-N 3.3Å; L756-F759 VanDerWaalsContact O-N 3.09Å; C757-F759 VanDerWaalsContact C-N 3.32Å; C757-F759 PolarHBondContact O-N 2.79Å; F759-M761 PolarHBondContact O-N 3.16Å; F759-K762 PolarHBondContact O-N 3.5Å; F759-H763 AromaticContact CD2-CD2 3.42Å; F759-H763 VanDerWaalsContact CD2-CD2 3.42Å; F759-H763 WeakPolarHBondContact CD2-CD2 3.48Å; F759-H763 AromaticContact CD2-NE2 3.68Å; F759-H763 AromaticContact CE1-CD2 3.9Å; F759-H763 AromaticContact CE2-CD2 3.18Å; F759-H763 WeakPolarHBondContact CE2-CD2 3.41Å; F759-H763 AromaticContact CE2-NE2 3.15Å; F759-H763 WeakPolarHBondContact CE2-NE2 3.32Å; F759-H763 AromaticContact CG-CD2 3.88Å; F759-H763 AromaticContact CZ-CD2 3.45Å; F759-H763 VanDerWaalsContact CZ-CD2 3.45Å; F759-H763 WeakPolarHBondContact CZ-CD2 3.35Å; F759-H763 AromaticContact CZ-NE2 3.69Å; F759-H763 WeakPolarHBondContact O-CB 3.49Å; F759-H763 PolarHBondContact O-CD2 3.46Å; F759-H763 VanDerWaalsContact O-CD2 3.27Å; F759-H763 PolarHBondContact O-N 3.23Å; F759-H763 VanDerWaalsContact O-N 3.09Å; F759-L765 HydrophobicContact CD1-CD1 4.49Å; F759-L765 HydrophobicContact CE1-CD1 4.21Å
760Y91.4Very high90.4Very high15 Ų1536.3 Ų36.36%0.05918%0.184CC..Hα-helixtrans-57.1-48.8177.4-90.7-112.9000111.6A338 L611 V613 L756 C757 H763 K764 L765 P766 P768A338-Y760 HydrophobicContact CB-CE1 4.01Å; L611-Y760 HydrophobicContact CD2-CD2 4.42Å; L611-Y760 HydrophobicContact CD2-CE2 3.56Å; L611-Y760 HydrophobicContact CG-CE2 4.21Å; L611-Y760 PolarHBondContact O-OH 2.9Å; V613-Y760 HydrophobicContact CG2-CE2 4.28Å; L756-Y760 VanDerWaalsContact O-CD2 3.26Å; L756-Y760 WeakPolarHBondContact O-CD2 3.31Å; L756-Y760 PolarHBondContact O-N 3.38Å; C757-Y760 PolarHBondContact O-N 3.24Å; Y760-H763 PolarHBondContact O-N 3.14Å; Y760-K764 PolarHBondContact O-N 3.34Å; Y760-L765 HydrophobicContact CD1-CB 3.49Å; Y760-L765 VanDerWaalsContact CD1-CB 3.49Å; Y760-L765 HydrophobicContact CD1-CD1 4.07Å; Y760-L765 HydrophobicContact CD1-CG 4.41Å; Y760-L765 HydrophobicContact CD2-CD1 4.32Å; Y760-L765 HydrophobicContact CE1-CB 4.12Å; Y760-L765 HydrophobicContact CE1-CD1 4.29Å; Y760-L765 HydrophobicContact CG-CB 3.98Å; Y760-L765 HydrophobicContact CG-CD1 4.09Å; Y760-L765 PolarHBondContact O-N 2.63Å; Y760-P766 WeakPolarHBondContact CD1-O 3.47Å; Y760-P768 HydrophobicContact CD1-CB 4.38Å; Y760-P768 HydrophobicContact CD1-CG 4.29Å; Y760-P768 HydrophobicContact CG-CG 4.22Å
761M87.9Confident90.5Very high14 Ų1435.6 Ų35.67%0.06918%0.179CC..Hα-helixtrans-63.8-43.2-179.6-64.6-59.9-58.900111.8C757 D758 F759 H763 K764 R767 E958 L960C757-M761 VanDerWaalsContact O-CG 3.27Å; C757-M761 WeakPolarHBondContact O-CG 3.39Å; C757-M761 PolarHBondContact O-N 2.93Å; D758-M761 PolarHBondContact O-N 3.4Å; F759-M761 PolarHBondContact O-N 3.16Å; M761-H763 VanDerWaalsContact C-N 3.26Å; M761-H763 PolarHBondContact O-N 3.1Å; M761-K764 PolarHBondContact O-N 3.02Å; M761-R767 VanDerWaalsContact CE-NH1 3.27Å; M761-R767 HydrophobicContact SD-CB 4.38Å; M761-R767 HydrophobicContact SD-CG 4Å; M761-R767 PolarHBondContact SD-NH1 3.22Å; M761-E958 HydrophobicContact CE-CB 3.99Å; M761-E958 HydrophobicContact CE-CG 4.31Å; M761-L960 HydrophobicContact CG-CD2 4.21Å
762K86.2Confident90.6Very high93 Ų9332.2 Ų32.240%0.40416%0.164SC..Hα-helixtrans-63.4-31.3178.6-79.1167.9172.5163.90113.5I576 D758 F759I576-K762 HydrophobicContact CD1-CB 4.4Å; I576-K762 HydrophobicContact CD1-CD 3.88Å; I576-K762 HydrophobicContact CD1-CG 4.32Å; D758-K762 WeakPolarHBondContact O-CB 3.47Å; D758-K762 WeakPolarHBondContact O-CD 3.43Å; D758-K762 VanDerWaalsContact O-CG 3.3Å; D758-K762 WeakPolarHBondContact O-CG 3.46Å; D758-K762 PolarHBondContact O-N 3.46Å; D758-K762 WeakPolarHBondContact OD1-CE 3.3Å; D758-K762 IonicContact OD1-NZ 2.73Å; D758-K762 PolarHBondContact OD1-NZ 2.81Å; D758-K762 WeakPolarHBondContact OD2-CE 3.45Å; D758-K762 IonicContact OD2-NZ 3.82Å; D758-K762 PolarHBondContact OD2-NZ 2.96Å; F759-K762 PolarHBondContact O-N 3.5Å
763H86.3Confident90.6Very high17 Ų1732.6 Ų32.68%0.07917%0.173CC..THydrogen-bonded Turntrans-96.26.1-177.7-77.5-69.1000114.4I576 W577 E602 F759 Y760 M761 L765I576-H763 WeakPolarHBondContact CG2-CE1 3.37Å; I576-H763 WeakPolarHBondContact CG2-NE2 3.43Å; W577-H763 PolarHBondContact O-CE1 3.19Å; W577-H763 VanDerWaalsContact O-CE1 3.26Å; W577-H763 PolarHBondContact O-ND1 2.79Å; E602-H763 IonicContact OE1-CE1 2.99Å; E602-H763 IonicContact OE1-NE2 2.63Å; E602-H763 PolarHBondContact OE1-NE2 3.02Å; E602-H763 IonicContact OE2-CE1 3.83Å; E602-H763 PolarHBondContact OE2-CE1 2.68Å; E602-H763 IonicContact OE2-NE2 3.24Å; E602-H763 PolarHBondContact OE2-NE2 3.12Å; E602-H763 VanDerWaalsContact OE2-NE2 3.13Å; F759-H763 AromaticContact CD2-CD2 3.42Å; F759-H763 VanDerWaalsContact CD2-CD2 3.42Å; F759-H763 WeakPolarHBondContact CD2-CD2 3.48Å; F759-H763 AromaticContact CD2-NE2 3.68Å; F759-H763 AromaticContact CE1-CD2 3.9Å; F759-H763 AromaticContact CE2-CD2 3.18Å; F759-H763 WeakPolarHBondContact CE2-CD2 3.41Å; F759-H763 AromaticContact CE2-NE2 3.15Å; F759-H763 WeakPolarHBondContact CE2-NE2 3.32Å; F759-H763 AromaticContact CG-CD2 3.88Å; F759-H763 AromaticContact CZ-CD2 3.45Å; F759-H763 VanDerWaalsContact CZ-CD2 3.45Å; F759-H763 WeakPolarHBondContact CZ-CD2 3.35Å; F759-H763 AromaticContact CZ-NE2 3.69Å; F759-H763 WeakPolarHBondContact O-CB 3.49Å; F759-H763 PolarHBondContact O-CD2 3.46Å; F759-H763 VanDerWaalsContact O-CD2 3.27Å; F759-H763 PolarHBondContact O-N 3.23Å; F759-H763 VanDerWaalsContact O-N 3.09Å; Y760-H763 PolarHBondContact O-N 3.14Å; M761-H763 VanDerWaalsContact C-N 3.26Å; M761-H763 PolarHBondContact O-N 3.1Å; H763-L765 HydrophobicContact CB-CD1 4.34Å; H763-L765 HydrophobicContact CB-CD2 4.39Å; H763-L765 HydrophobicContact CB-CG 3.91Å; H763-L765 PolarHBondContact O-N 3.11Å
764K82.1Confident90.5Very high93 Ų9333.5 Ų33.540%0.40418%0.178SC..THydrogen-bonded Turntrans54.334.6-175.7-56-178.8173.4-178.70113H578 D580 Y760 M761 R1022H578-K764 VanDerWaalsContact NE2-CE 3.28Å; H578-K764 WeakPolarHBondContact NE2-CE 3.28Å; D580-K764 IonicContact OD2-NZ 3.6Å; D580-K764 PolarHBondContact OD2-NZ 3.14Å; Y760-K764 PolarHBondContact O-N 3.34Å; M761-K764 PolarHBondContact O-N 3.02Å; K764-R1022 VanDerWaalsContact CE-CZ 3.48Å
765L84.5Confident90.5Very high18 Ų1832.1 Ų32.19%0.09417%0.173CC..PPolyproline II helixtrans-75.4159.8170.6-55.7-174.9000109.4A338 L340 F759 Y760 H763 R767A338-L765 HydrophobicContact CB-CB 4.43Å; L340-L765 HydrophobicContact CD1-CD1 4.42Å; L340-L765 HydrophobicContact CD2-CD1 4.3Å; L340-L765 HydrophobicContact CD2-CD2 3.41Å; L340-L765 VanDerWaalsContact CD2-CD2 3.41Å; L340-L765 HydrophobicContact CD2-CG 4.45Å; L340-L765 HydrophobicContact CG-CD2 3.91Å; F759-L765 HydrophobicContact CD1-CD1 4.49Å; F759-L765 HydrophobicContact CE1-CD1 4.21Å; Y760-L765 HydrophobicContact CD1-CB 3.49Å; Y760-L765 VanDerWaalsContact CD1-CB 3.49Å; Y760-L765 HydrophobicContact CD1-CD1 4.07Å; Y760-L765 HydrophobicContact CD1-CG 4.41Å; Y760-L765 HydrophobicContact CD2-CD1 4.32Å; Y760-L765 HydrophobicContact CE1-CB 4.12Å; Y760-L765 HydrophobicContact CE1-CD1 4.29Å; Y760-L765 HydrophobicContact CG-CB 3.98Å; Y760-L765 HydrophobicContact CG-CD1 4.09Å; Y760-L765 PolarHBondContact O-N 2.63Å; H763-L765 HydrophobicContact CB-CD1 4.34Å; H763-L765 HydrophobicContact CB-CD2 4.39Å; H763-L765 HydrophobicContact CB-CG 3.91Å; H763-L765 PolarHBondContact O-N 3.11Å; L765-R767 PolarHBondContact O-N 3.42Å
766P86.1Confident90.4Very high80 Ų8030.5 Ų30.552%0.51917%0.168SC..PPolyproline II helixtrans-48.5127.2175.2-28.135.6000111.1A338 Y760 P768A338-P766 HydrophobicContact CB-CG 4.26Å; Y760-P766 WeakPolarHBondContact CD1-O 3.47Å; P766-P768 WeakPolarHBondContact O-CD 3.41Å; P766-P768 VanDerWaalsContact O-N 3.17Å
767R87.6Confident90.2Very high57 Ų5735.1 Ų35.122%0.21519%0.19CC..PPolyproline II helixtrans-58.3118.8-176.8-179.9176.4177.782.6-4.5109.6M761 L765 G769 L772 H1024M761-R767 VanDerWaalsContact CE-NH1 3.27Å; M761-R767 HydrophobicContact SD-CB 4.38Å; M761-R767 HydrophobicContact SD-CG 4Å; M761-R767 PolarHBondContact SD-NH1 3.22Å; L765-R767 PolarHBondContact O-N 3.42Å; R767-G769 PolarHBondContact O-N 3.34Å; R767-L772 HydrophobicContact CG-CD1 3.8Å; R767-H1024 WeakPolarHBondContact CD-NE2 3.24Å; R767-H1024 PolarHBondContact NE-CD2 3.25Å; R767-H1024 PolarHBondContact NE-NE2 3.04Å
768P91Very high90Very high3 Ų338.2 Ų38.22%0.01920%0.202CC..  trans-82.380.6-170.532.6-35.7000111.1C757 Y760 P766 H770 L771 L772C757-P768 HydrophobicContact CB-CG 4.39Å; Y760-P768 HydrophobicContact CD1-CB 4.38Å; Y760-P768 HydrophobicContact CD1-CG 4.29Å; Y760-P768 HydrophobicContact CG-CG 4.22Å; P766-P768 WeakPolarHBondContact O-CD 3.41Å; P766-P768 VanDerWaalsContact O-N 3.17Å; P768-H770 VanDerWaalsContact C-N 3.31Å; P768-H770 PolarHBondContact O-N 3.32Å; P768-L771 HydrophobicContact CB-CB 4.06Å; P768-L771 HydrophobicContact CB-CD1 3.91Å; P768-L771 HydrophobicContact CB-CG 4.05Å; P768-L771 HydrophobicContact CG-CB 4.43Å; P768-L771 HydrophobicContact CG-CD1 4.43Å; P768-L771 PolarHBondContact O-N 3.16Å; P768-L772 VanDerWaalsContact O-CG 3.32Å; P768-L772 WeakPolarHBondContact O-CG 3.39Å; P768-L772 PolarHBondContact O-N 3.36Å
769G90.1Very high89.8Confident42 Ų4237.6 Ų37.643%0.43320%0.197SC..Hα-helixtrans-57.4-41.8-170.800000113.1R767 L772 G773R767-G769 PolarHBondContact O-N 3.34Å; G769-L772 PolarHBondContact O-N 3.37Å; G769-G773 PolarHBondContact O-N 2.95Å
770H90.8Very high89.5Confident79 Ų7940 Ų4037%0.36621%0.21SC..Hα-helixtrans-64.3-44.7178.7-179.6-112.3000112P768 L772 G773 I774P768-H770 VanDerWaalsContact C-N 3.31Å; P768-H770 PolarHBondContact O-N 3.32Å; H770-L772 VanDerWaalsContact C-N 3.35Å; H770-L772 PolarHBondContact O-N 3.18Å; H770-G773 PolarHBondContact O-N 3.05Å; H770-I774 PolarHBondContact O-N 2.85Å; H770-I774 VanDerWaalsContact O-N 3.16Å
771L94.8Very high89.2Confident4 Ų442.5 Ų42.52%0.02122%0.222CC..Hα-helixtrans-64.7-39.3177.8-60.2-173000112.1V613 V615 I753 C757 P768 G773 I774 L775V613-L771 HydrophobicContact CB-CD1 4.31Å; V613-L771 HydrophobicContact CG1-CD1 4.05Å; V613-L771 HydrophobicContact CG1-CD2 4.15Å; V615-L771 HydrophobicContact CG2-CD2 3.36Å; I753-L771 HydrophobicContact CG2-CB 3.92Å; I753-L771 HydrophobicContact CG2-CD2 4.3Å; C757-L771 WeakPolarHBondContact SG-CB 3.4Å; P768-L771 HydrophobicContact CB-CB 4.06Å; P768-L771 HydrophobicContact CB-CD1 3.91Å; P768-L771 HydrophobicContact CB-CG 4.05Å; P768-L771 HydrophobicContact CG-CB 4.43Å; P768-L771 HydrophobicContact CG-CD1 4.43Å; P768-L771 PolarHBondContact O-N 3.16Å; L771-G773 VanDerWaalsContact C-N 3.31Å; L771-G773 PolarHBondContact O-N 2.68Å; L771-I774 HydrophobicContact CD2-CD1 4.37Å; L771-I774 PolarHBondContact O-N 3.17Å; L771-L775 WeakPolarHBondContact O-CG 3.4Å; L771-L775 PolarHBondContact O-N 3.4Å
772L93.8Very high88.9Confident9 Ų945.7 Ų45.75%0.04724%0.237CC..Hα-helixtrans-63.6-38.2174.9-64.9178.2000111.8C757 R767 P768 G769 H770 I774 L775 S776 L804 L960C757-L772 HydrophobicContact CB-CD2 3.89Å; R767-L772 HydrophobicContact CG-CD1 3.8Å; P768-L772 VanDerWaalsContact O-CG 3.32Å; P768-L772 WeakPolarHBondContact O-CG 3.39Å; P768-L772 PolarHBondContact O-N 3.36Å; G769-L772 PolarHBondContact O-N 3.37Å; H770-L772 VanDerWaalsContact C-N 3.35Å; H770-L772 PolarHBondContact O-N 3.18Å; L772-I774 VanDerWaalsContact C-N 3.33Å; L772-I774 PolarHBondContact O-N 2.87Å; L772-L775 HydrophobicContact CD2-CD1 4.27Å; L772-L775 WeakPolarHBondContact O-CB 3.47Å; L772-L775 PolarHBondContact O-N 3.36Å; L772-S776 PolarHBondContact O-N 3.23Å; L772-S776 PolarHBondContact O-OG 2.71Å; L772-L804 HydrophobicContact CB-CD2 4.33Å; L772-L804 HydrophobicContact CD2-CD1 4.12Å; L772-L804 HydrophobicContact CD2-CD2 4.32Å; L772-L960 HydrophobicContact CD2-CD2 3.59Å
773G93.1Very high88.4Confident33 Ų3342.4 Ų42.434%0.3422%0.223SC..Hα-helixtrans-60.2-39.9174.200000113.1G769 H770 L771 L775 S776 Q777G769-G773 PolarHBondContact O-N 2.95Å; H770-G773 PolarHBondContact O-N 3.05Å; L771-G773 VanDerWaalsContact C-N 3.31Å; L771-G773 PolarHBondContact O-N 2.68Å; G773-L775 PolarHBondContact O-N 2.88Å; G773-S776 WeakPolarHBondContact CA-OG 3.41Å; G773-S776 PolarHBondContact O-N 3.25Å; G773-S776 PolarHBondContact O-OG 2.92Å; G773-Q777 VanDerWaalsContact O-CB 3.29Å; G773-Q777 WeakPolarHBondContact O-CB 3.26Å; G773-Q777 PolarHBondContact O-N 3.45Å
774I93.6Very high87.8Confident19 Ų1948 Ų4810%0.09725%0.25CC..Hα-helixtrans-61.7-44.6174.1-64.3167.2000110.6V615 I753 H770 L771 L772 Q777 R778V615-I774 HydrophobicContact CB-CD1 4.28Å; V615-I774 HydrophobicContact CG1-CD1 3.7Å; V615-I774 HydrophobicContact CG2-CD1 3.74Å; I753-I774 HydrophobicContact CD1-CD1 4.36Å; I753-I774 HydrophobicContact CD1-CG2 4.08Å; H770-I774 PolarHBondContact O-N 2.85Å; H770-I774 VanDerWaalsContact O-N 3.16Å; L771-I774 HydrophobicContact CD2-CD1 4.37Å; L771-I774 PolarHBondContact O-N 3.17Å; L772-I774 VanDerWaalsContact C-N 3.33Å; L772-I774 PolarHBondContact O-N 2.87Å; I774-Q777 PolarHBondContact O-N 2.85Å; I774-R778 HydrophobicContact CG2-CG 4.37Å; I774-R778 WeakPolarHBondContact O-CB 3.41Å; I774-R778 VanDerWaalsContact O-CG 3.23Å; I774-R778 WeakPolarHBondContact O-CG 3.37Å; I774-R778 PolarHBondContact O-N 2.88Å
775L93.6Very high87.3Confident1 Ų150.4 Ų50.41%0.00527%0.266CS..Hα-helixtrans-62.8-45.4179.3-62.7175.1000111.6V750 I753 W754 C757 L771 L772 G773 R779 L804V750-L775 HydrophobicContact CG1-CD2 3.81Å; I753-L775 HydrophobicContact CB-CD2 4.23Å; I753-L775 HydrophobicContact CG2-CD1 4.42Å; I753-L775 HydrophobicContact CG2-CD2 3.88Å; I753-L775 HydrophobicContact CG2-CG 4.02Å; W754-L775 HydrophobicContact CB-CD1 4.25Å; W754-L775 HydrophobicContact CB-CD2 3.94Å; W754-L775 HydrophobicContact CG-CD1 4.38Å; C757-L775 HydrophobicContact CB-CD1 4.18Å; L771-L775 WeakPolarHBondContact O-CG 3.4Å; L771-L775 PolarHBondContact O-N 3.4Å; L772-L775 HydrophobicContact CD2-CD1 4.27Å; L772-L775 WeakPolarHBondContact O-CB 3.47Å; L772-L775 PolarHBondContact O-N 3.36Å; G773-L775 PolarHBondContact O-N 2.88Å; L775-R779 WeakPolarHBondContact O-CG 3.47Å; L775-R779 PolarHBondContact O-N 3.43Å; L775-L804 HydrophobicContact CB-CD2 4.35Å
776S92.6Very high86.4Confident22 Ų2255.6 Ų55.615%0.15429%0.289CS..Hα-helixtrans-65.3-42.4178.855.10000112.3L772 G773 R779 L780L772-S776 PolarHBondContact O-N 3.23Å; L772-S776 PolarHBondContact O-OG 2.71Å; G773-S776 WeakPolarHBondContact CA-OG 3.41Å; G773-S776 PolarHBondContact O-N 3.25Å; G773-S776 PolarHBondContact O-OG 2.92Å; S776-R779 PolarHBondContact O-N 2.86Å; S776-L780 PolarHBondContact O-N 2.9Å
777Q90.8Very high85.3Confident97 Ų9759.8 Ų59.845%0.45330%0.302SS..Hα-helixtrans-63.6-44.9179.8179.158.524.700111.3G773 I774 R779 L780 E781G773-Q777 VanDerWaalsContact O-CB 3.29Å; G773-Q777 WeakPolarHBondContact O-CB 3.26Å; G773-Q777 PolarHBondContact O-N 3.45Å; I774-Q777 PolarHBondContact O-N 2.85Å; Q777-R779 PolarHBondContact O-N 3.24Å; Q777-L780 WeakPolarHBondContact O-CB 3.47Å; Q777-L780 PolarHBondContact O-N 3.31Å; Q777-E781 WeakPolarHBondContact CG-OE1 3.27Å; Q777-E781 PolarHBondContact NE2-OE1 2.94Å; Q777-E781 VanDerWaalsContact NE2-OE1 3.12Å; Q777-E781 PolarHBondContact O-N 3.5Å; Q777-E781 VanDerWaalsContact O-N 3.12Å
778R89.2Confident84.1Confident66 Ų6659.5 Ų59.525%0.24931%0.308CS..Hα-helixtrans-60.5-33.9177.6-74.2-73.7-173.5-155.63113P747 T748 V750 I774 L780 E781 E782P747-R778 PolarHBondContact O-NE 3.06Å; P747-R778 VanDerWaalsContact O-NE 3.12Å; P747-R778 PolarHBondContact O-NH2 2.83Å; T748-R778 VanDerWaalsContact CG2-NH2 3.25Å; V750-R778 HydrophobicContact CG1-CB 4.4Å; V750-R778 HydrophobicContact CG2-CB 4.08Å; V750-R778 HydrophobicContact CG2-CG 3.65Å; I774-R778 HydrophobicContact CG2-CG 4.37Å; I774-R778 WeakPolarHBondContact O-CB 3.41Å; I774-R778 VanDerWaalsContact O-CG 3.23Å; I774-R778 WeakPolarHBondContact O-CG 3.37Å; I774-R778 PolarHBondContact O-N 2.88Å; R778-L780 VanDerWaalsContact C-N 3.33Å; R778-L780 PolarHBondContact O-N 2.95Å; R778-E781 WeakPolarHBondContact CD-OE2 3.27Å; R778-E781 IonicContact CZ-OE2 3.09Å; R778-E781 IonicContact NE-OE2 3.35Å; R778-E781 IonicContact NH1-OE2 2.74Å; R778-E781 PolarHBondContact NH1-OE2 3.07Å; R778-E781 PolarHBondContact O-N 2.92Å; R778-E782 WeakPolarHBondContact O-CB 3.46Å; R778-E782 VanDerWaalsContact O-CG 3.31Å; R778-E782 WeakPolarHBondContact O-CG 3.22Å; R778-E782 PolarHBondContact O-N 2.98Å
779R87.6Confident82.5Confident17 Ų1764.8 Ų64.86%0.06434%0.34CS..Hα-helixtrans-66.5-33.3175.3-70.4-67.2177.7-117.2-14.7113.4L775 S776 Q777 E782 R805 H806L775-R779 WeakPolarHBondContact O-CG 3.47Å; L775-R779 PolarHBondContact O-N 3.43Å; S776-R779 PolarHBondContact O-N 2.86Å; Q777-R779 PolarHBondContact O-N 3.24Å; R779-E782 IonicContact CZ-OE2 3.46Å; R779-E782 IonicContact NH1-OE1 2.68Å; R779-E782 PolarHBondContact NH1-OE1 3.49Å; R779-E782 IonicContact NH1-OE2 3.86Å; R779-E782 PolarHBondContact NH1-OE2 3.46Å; R779-R805 PolarHBondContact NE-O 3.18Å; R779-R805 PolarHBondContact NH2-O 3.45Å; R779-H806 PolarHBondContact NH2-O 2.73Å
780L85.7Confident81.4Confident62 Ų6264.2 Ų64.233%0.32533%0.329SS..Hα-helixtrans-68.7-48.8174.2-65.2172.8000110S776 Q777 R778 E782 Q783 E784 M797 H812S776-L780 PolarHBondContact O-N 2.9Å; Q777-L780 WeakPolarHBondContact O-CB 3.47Å; Q777-L780 PolarHBondContact O-N 3.31Å; R778-L780 VanDerWaalsContact C-N 3.33Å; R778-L780 PolarHBondContact O-N 2.95Å; L780-E782 PolarHBondContact O-N 3.32Å; L780-Q783 PolarHBondContact O-N 2.89Å; L780-E784 PolarHBondContact O-N 3.31Å; L780-E784 VanDerWaalsContact O-N 3.16Å; L780-M797 HydrophobicContact CD2-CE 3.68Å; L780-H812 HydrophobicContact CD2-CB 4.04Å
781E86.5Confident80.5Confident67 Ų6769.1 Ų69.131%0.31334%0.344SS..Hα-helixtrans-60.6-44-180-67.9169.9-170.600113.2Q777 R778 Q783 E784 L785Q777-E781 WeakPolarHBondContact CG-OE1 3.27Å; Q777-E781 PolarHBondContact NE2-OE1 2.94Å; Q777-E781 VanDerWaalsContact NE2-OE1 3.12Å; Q777-E781 PolarHBondContact O-N 3.5Å; Q777-E781 VanDerWaalsContact O-N 3.12Å; R778-E781 WeakPolarHBondContact CD-OE2 3.27Å; R778-E781 IonicContact CZ-OE2 3.09Å; R778-E781 IonicContact NE-OE2 3.35Å; R778-E781 IonicContact NH1-OE2 2.74Å; R778-E781 PolarHBondContact NH1-OE2 3.07Å; R778-E781 PolarHBondContact O-N 2.92Å; E781-Q783 PolarHBondContact O-N 2.87Å; E781-E784 PolarHBondContact O-N 3.46Å; E781-E784 VanDerWaalsContact O-N 3.1Å; E781-L785 PolarHBondContact O-N 3.36Å; E781-L785 VanDerWaalsContact O-N 3.14Å
782E81.9Confident79.9Confident81 Ų8171.5 Ų71.538%0.37936%0.362SS..Hα-helixtrans-57.8-34.7178.3-79.3172.1174.800112.3R778 R779 L780 H786R778-E782 WeakPolarHBondContact O-CB 3.46Å; R778-E782 VanDerWaalsContact O-CG 3.31Å; R778-E782 WeakPolarHBondContact O-CG 3.22Å; R778-E782 PolarHBondContact O-N 2.98Å; R779-E782 IonicContact CZ-OE2 3.46Å; R779-E782 IonicContact NH1-OE1 2.68Å; R779-E782 PolarHBondContact NH1-OE1 3.49Å; R779-E782 IonicContact NH1-OE2 3.86Å; R779-E782 PolarHBondContact NH1-OE2 3.46Å; L780-E782 PolarHBondContact O-N 3.32Å; E782-H786 PolarHBondContact O-N 3.28Å; E782-H786 VanDerWaalsContact O-N 3.1Å; E782-H786 PolarHBondContact O-ND1 2.89Å
783Q75.6Confident79.6Confident24 Ų2472.2 Ų72.211%0.11237%0.365CS..Hα-helixtrans-81.4-26178.2-170.3-167.5-25.700113.1L780 E781 H786 H812L780-Q783 PolarHBondContact O-N 2.89Å; E781-Q783 PolarHBondContact O-N 2.87Å; Q783-H786 CarbonylContact C-O 3.58Å; Q783-H786 CarbonylContact O-C 3.49Å; Q783-H812 VanDerWaalsContact CD-N 3.28Å; Q783-H812 PolarHBondContact OE1-ND1 3.11Å
784E73.4Confident79.4Confident135 Ų13570.7 Ų70.763%0.63135%0.349SS*.Hα-helixtrans-68.7-31.5170.6-63.4-161136.800111.1L780 E781 K1041L780-E784 PolarHBondContact O-N 3.31Å; L780-E784 VanDerWaalsContact O-N 3.16Å; E781-E784 PolarHBondContact O-N 3.46Å; E781-E784 VanDerWaalsContact O-N 3.1Å; E784-K1041 IonicContact OE1-NZ 2.84Å; E784-K1041 PolarHBondContact OE1-NZ 3.03Å
785L70.8Confident79.3Confident143 Ų14374.8 Ų74.875%0.74937%0.368SS*.Hα-helixtrans-78.7-33.5178-153.777.9000113.2E781E781-L785 PolarHBondContact O-N 3.36Å; E781-L785 VanDerWaalsContact O-N 3.14Å
786H66.1Low79.2Confident126 Ų12675.1 Ų75.158%0.58337%0.369SS*.SBendtrans-114124-179.2-57.882.5000110.2E782 Q783E782-H786 PolarHBondContact O-N 3.28Å; E782-H786 VanDerWaalsContact O-N 3.1Å; E782-H786 PolarHBondContact O-ND1 2.89Å; Q783-H786 CarbonylContact C-O 3.58Å; Q783-H786 CarbonylContact O-C 3.49Å
787Q63.8Low79.2Confident169 Ų16974.4 Ų74.479%0.7936%0.364SS*.  trans-51.7135.6173.8-74.3-176.30.300110.4T789Q787-T789 PolarHBondContact O-N 3.36Å; Q787-T789 VanDerWaalsContact O-N 3.08Å
788P61.3Low79.2Confident51 Ų5170.8 Ų70.833%0.33135%0.351SS..  trans-59.5119.3-175.421.2-30.3000109.9S790 R811P788-S790 PolarHBondContact O-N 2.71Å; P788-R811 HydrophobicContact CB-CB 4.41Å
789T57.8Low79.4Confident114 Ų11468 Ų6870%0.69934%0.342SS*.SBendtrans-70.3-20.6177.239.60000112.4Q787 M809Q787-T789 PolarHBondContact O-N 3.36Å; Q787-T789 VanDerWaalsContact O-N 3.08Å; T789-M809 PolarHBondContact OG1-O 3.19Å
790S66.2Low79.7Confident29 Ų2968.2 Ų68.220%0.20334%0.343CS..  trans-117.6140.4178.1-178.80000112.3P788 S792 M809P788-S790 PolarHBondContact O-N 2.71Å; S790-S792 VanDerWaalsContact C-N 3.33Å; S790-S792 PolarHBondContact OG-N 3.34Å; S790-S792 VanDerWaalsContact OG-N 3.11Å; S790-S792 PolarHBondContact OG-OG 3Å; S790-M809 WeakPolarHBondContact CB-O 3.37Å
791R72.9Confident80Confident182 Ų18265.9 Ų65.969%0.68733%0.334SS*.SBendtrans-72-26.9169.8-65.5-177.4177.7-175-1.4112.5R811R791-R811 PolarHBondContact O-NE 2.86Å; R791-R811 PolarHBondContact O-NH2 3.1Å
792S81.8Confident80.4Confident55 Ų5563.1 Ų63.139%0.38532%0.321SS..SBendtrans-83.2136.1-173.855.40000113.1S790 Y810 R811S790-S792 VanDerWaalsContact C-N 3.33Å; S790-S792 PolarHBondContact OG-N 3.34Å; S790-S792 VanDerWaalsContact OG-N 3.11Å; S790-S792 PolarHBondContact OG-OG 3Å; S792-Y810 VanDerWaalsContact OG-CD1 3.32Å; S792-Y810 WeakPolarHBondContact OG-CD1 3.35Å; S792-R811 WeakPolarHBondContact O-CB 3.2Å; S792-R811 PolarHBondContact O-N 3.45Å
793L87.1Confident80.8Confident24 Ų2459.3 Ų59.313%0.12630%0.303CS..BIsolated β-bridgetrans-63.7139.2173.6-173.467.9000110.5H795 M797 A798 R811 M814L793-H795 PolarHBondContact O-N 3.36Å; L793-M797 HydrophobicContact CD1-CG 4.28Å; L793-A798 HydrophobicContact CD2-CB 3.86Å; L793-A798 HydrophobicContact CG-CB 4.34Å; L793-R811 CarbonylContact C-O 3.55Å; L793-R811 WeakPolarHBondContact CA-O 3.32Å; L793-R811 WeakPolarHBondContact CD1-O 3.39Å; L793-M814 HydrophobicContact CD2-CE 3.88Å
794C90.4Very high81.6Confident0 Ų058.3 Ų58.30%030%0.299CS..PPolyproline II helixtrans-61.5128.2177.91750000110.1Q796 M797 A798 Y810 R811 H812C794-Q796 VanDerWaalsContact C-N 3.29Å; C794-Q796 PolarHBondContact O-N 3.32Å; C794-M797 HydrophobicContact CB-CB 3.77Å; C794-M797 WeakPolarHBondContact O-CB 3.17Å; C794-M797 PolarHBondContact O-N 3.01Å; C794-A798 PolarHBondContact O-N 3.25Å; C794-Y810 VanDerWaalsContact CA-CB 3.5Å; C794-R811 WeakPolarHBondContact CB-O 3.32Å; C794-R811 PolarHBondContact N-O 3.4Å; C794-H812 WeakPolarHBondContact CB-CD2 3.32Å
795H89.9Confident82.3Confident106 Ų10655 Ų5549%0.49128%0.28SS..Hα-helixtrans-61-35.1-178.9-69.279.3000113.3L793 A799L793-H795 PolarHBondContact O-N 3.36Å; H795-A799 WeakPolarHBondContact O-CB 3.18Å; H795-A799 PolarHBondContact O-N 3.04Å
796Q92.9Very high83Confident7 Ų750.6 Ų50.63%0.03326%0.256CS..Hα-helixtrans-70.4-40174.9-72.4-167.96.700111.2C794 A799 F800 D802 D961C794-Q796 VanDerWaalsContact C-N 3.29Å; C794-Q796 PolarHBondContact O-N 3.32Å; Q796-A799 PolarHBondContact O-N 3.5Å; Q796-F800 HydrophobicContact CB-CD2 4.22Å; Q796-F800 HydrophobicContact CG-CD2 4.48Å; Q796-F800 WeakPolarHBondContact O-CB 3.32Å; Q796-F800 WeakPolarHBondContact O-CD2 3.17Å; Q796-F800 PolarHBondContact O-N 3.39Å; Q796-D802 CarbonylContact C-O 3.46Å; Q796-D802 VanDerWaalsContact C-O 3.27Å; Q796-D961 VanDerWaalsContact NE2-C 3.35Å; Q796-D961 PolarHBondContact NE2-O 2.82Å
797M91.9Very high83.8Confident7 Ų752.1 Ų52.13%0.03426%0.261CS..Hα-helixtrans-61.3-49175.8-175.954.482.800110.7L780 L793 C794 A799 G801 D802 H812 M1036L780-M797 HydrophobicContact CD2-CE 3.68Å; L793-M797 HydrophobicContact CD1-CG 4.28Å; C794-M797 HydrophobicContact CB-CB 3.77Å; C794-M797 WeakPolarHBondContact O-CB 3.17Å; C794-M797 PolarHBondContact O-N 3.01Å; M797-A799 PolarHBondContact O-N 3.32Å; M797-G801 VanDerWaalsContact O-CA 3.31Å; M797-G801 WeakPolarHBondContact O-CA 3.13Å; M797-G801 PolarHBondContact O-N 2.8Å; M797-D802 PolarHBondContact N-O 3.46Å; M797-H812 HydrophobicContact CE-CB 3.74Å; M797-H812 HydrophobicContact CG-CB 4.45Å; M797-M1036 HydrophobicContact CG-CG 4.31Å; M797-M1036 HydrophobicContact CG-SD 3.55Å; M797-M1036 VanDerWaalsContact CG-SD 3.55Å; M797-M1036 HydrophobicContact SD-CB 4.44Å; M797-M1036 HydrophobicContact SD-CG 4.04Å; M797-M1036 HydrophobicContact SD-SD 3.76Å
798A91.3Very high84.8Confident22 Ų2245.4 Ų45.418%0.18223%0.232CC..Hα-helixtrans-61.4-28.7175.900000113.5L793 C794 F1001L793-A798 HydrophobicContact CD2-CB 3.86Å; L793-A798 HydrophobicContact CG-CB 4.34Å; C794-A798 PolarHBondContact O-N 3.25Å; A798-F1001 WeakPolarHBondContact O-CZ 3.33Å
799A92.5Very high85.9Confident7 Ų749 Ų496%0.05825%0.247CC..Hα-helixtrans-88.5-37.8-17800000114.1H795 Q796 M797H795-A799 WeakPolarHBondContact O-CB 3.18Å; H795-A799 PolarHBondContact O-N 3.04Å; Q796-A799 PolarHBondContact O-N 3.5Å; M797-A799 PolarHBondContact O-N 3.32Å
800F93.6Very high87.3Confident22 Ų2247.9 Ų47.910%0.09623%0.23CC..Hα-helixtrans-130-8-162.3-53.9-66.3000113.5Q796 D802 Q956 R962 K1032Q796-F800 HydrophobicContact CB-CD2 4.22Å; Q796-F800 HydrophobicContact CG-CD2 4.48Å; Q796-F800 WeakPolarHBondContact O-CB 3.32Å; Q796-F800 WeakPolarHBondContact O-CD2 3.17Å; Q796-F800 PolarHBondContact O-N 3.39Å; F800-D802 PolarHBondContact O-N 3.01Å; F800-Q956 HydrophobicContact CE1-CB 3.97Å; F800-Q956 HydrophobicContact CZ-CB 4.15Å; F800-R962 VanDerWaalsContact CD2-CD 3.47Å; F800-R962 HydrophobicContact CE2-CB 4.11Å; F800-R962 VanDerWaalsContact CE2-CD 3.47Å; F800-R962 HydrophobicContact CE2-CG 4.39Å; F800-K1032 WeakPolarHBondContact O-CB 3.38Å
801G92.8Very high88.4Confident12 Ų1246.7 Ų46.712%0.12422%0.221CC..SBendtrans72.76.4-175.400000114.4M797M797-G801 VanDerWaalsContact O-CA 3.31Å; M797-G801 WeakPolarHBondContact O-CA 3.13Å; M797-G801 PolarHBondContact O-N 2.8Å
802D93.5Very high89.2Confident10 Ų1038.4 Ų38.45%0.05319%0.19CC..SBendtrans-148.8163.1174.361.89.6000111.6Q796 M797 F800 R962 K1032Q796-D802 CarbonylContact C-O 3.46Å; Q796-D802 VanDerWaalsContact C-O 3.27Å; M797-D802 PolarHBondContact N-O 3.46Å; F800-D802 PolarHBondContact O-N 3.01Å; D802-R962 PolarHBondContact O-NH1 3.26Å; D802-R962 IonicContact OD1-CZ 3.48Å; D802-R962 IonicContact OD1-NH1 3.04Å; D802-R962 PolarHBondContact OD1-NH1 2.74Å; D802-R962 IonicContact OD1-NH2 3.84Å; D802-R962 PolarHBondContact OD1-NH2 2.95Å; D802-R962 IonicContact OD2-NH2 2.7Å; D802-R962 PolarHBondContact OD2-NH2 3.2Å; D802-K1032 HydrophobicContact CB-CD 4.43Å; D802-K1032 WeakPolarHBondContact OD2-CE 3.32Å; D802-K1032 IonicContact OD2-NZ 3.5Å; D802-K1032 PolarHBondContact OD2-NZ 3.38Å
803C92.4Very high89.5Confident1 Ų136.9 Ų36.91%0.00718%0.179CC..  trans-124.7124.3176.8-1760000110.4H812C803-H812 WeakPolarHBondContact CB-NE2 3.43Å; C803-H812 PolarHBondContact SG-NE2 2.83Å
804L92.1Very high89.6Confident3 Ų336 Ų362%0.01617%0.173CC..  trans-110.96.8179.9-59.1-179.6000112.8W754 L772 L775 L960W754-L804 PolarHBondContact NE1-O 2.86Å; L772-L804 HydrophobicContact CB-CD2 4.33Å; L772-L804 HydrophobicContact CD2-CD1 4.12Å; L772-L804 HydrophobicContact CD2-CD2 4.32Å; L775-L804 HydrophobicContact CB-CD2 4.35Å; L804-L960 HydrophobicContact CD1-CD2 4.38Å
805R88.4Confident89.5Confident64 Ų6437.9 Ų37.924%0.24218%0.181CC..  trans-60.2142.6179.6-67.3-177.9173.8178.4-3.2110.8R779 K807 C808R779-R805 PolarHBondContact NE-O 3.18Å; R779-R805 PolarHBondContact NH2-O 3.45Å; R805-K807 VanDerWaalsContact C-N 3.27Å; R805-K807 PolarHBondContact O-N 2.74Å; R805-C808 HydrophobicContact CB-CB 4.19Å
806H83.8Confident89.4Confident51 Ų5139.5 Ų39.524%0.23618%0.183CC..SBendtrans-63.1-34.2176.8-175.7-109.7000112.8E751 W754 R779E751-H806 IonicContact OE1-CE1 2.75Å; E751-H806 PolarHBondContact OE1-CE1 3.04Å; E751-H806 IonicContact OE1-NE2 4Å; E751-H806 PolarHBondContact OE1-NE2 2.85Å; E751-H806 VanDerWaalsContact OE1-NE2 3.1Å; E751-H806 IonicContact OE2-CD2 3.03Å; E751-H806 IonicContact OE2-CE1 3.12Å; E751-H806 PolarHBondContact OE2-CE1 3.1Å; E751-H806 IonicContact OE2-NE2 3.18Å; E751-H806 PolarHBondContact OE2-NE2 3.47Å; W754-H806 HydrophobicContact CD2-CB 4.06Å; W754-H806 AromaticContact CD2-CD2 3.63Å; W754-H806 AromaticContact CE3-CD2 3.82Å; W754-H806 AromaticContact CG-CD2 3.79Å; W754-H806 HydrophobicContact CH2-CB 4.27Å; W754-H806 HydrophobicContact CZ2-CB 3.76Å; R779-H806 PolarHBondContact NH2-O 2.73Å
807K83.4Confident89Confident158 Ų15843.4 Ų43.469%0.68720%0.204SC*.SBendtrans-143.3140.4167-64-175.6-179.6-176.40108.1R805R805-K807 VanDerWaalsContact C-N 3.27Å; R805-K807 PolarHBondContact O-N 2.74Å
808C85.4Confident88.8Confident28 Ų2844.3 Ų44.319%0.18921%0.208CC..  trans-139.9125.4179.2-166.90000110.7R805 H812R805-C808 HydrophobicContact CB-CB 4.19Å; C808-H812 PolarHBondContact SG-NE2 3.38Å
809M83.8Confident88.7Confident128 Ų12844.6 Ų44.663%0.63121%0.207SC*.  trans-96.50.2178.7-54.9-58.4-67.600112.6T789 S790T789-M809 PolarHBondContact OG1-O 3.19Å; S790-M809 WeakPolarHBondContact CB-O 3.37Å
810Y86.7Confident88.5Confident89 Ų8950.5 Ų50.535%0.34924%0.237SC..SBendtrans-90.2156.3-177-62.9-83.5000111.2S792 C794 H812S792-Y810 VanDerWaalsContact OG-CD1 3.32Å; S792-Y810 WeakPolarHBondContact OG-CD1 3.35Å; C794-Y810 VanDerWaalsContact CA-CB 3.5Å; Y810-H812 PolarHBondContact O-CE1 3.27Å
811R88.9Confident88.3Confident4 Ų450.1 Ų50.12%0.01524%0.237CC..BIsolated β-bridgetrans-66.5133.1174173.3170.660.1108.8-7.2110.1P788 R791 S792 L793 C794 V813 W815 E818P788-R811 HydrophobicContact CB-CB 4.41Å; R791-R811 PolarHBondContact O-NE 2.86Å; R791-R811 PolarHBondContact O-NH2 3.1Å; S792-R811 WeakPolarHBondContact O-CB 3.2Å; S792-R811 PolarHBondContact O-N 3.45Å; L793-R811 CarbonylContact C-O 3.55Å; L793-R811 WeakPolarHBondContact CA-O 3.32Å; L793-R811 WeakPolarHBondContact CD1-O 3.39Å; C794-R811 WeakPolarHBondContact CB-O 3.32Å; C794-R811 PolarHBondContact N-O 3.4Å; R811-V813 VanDerWaalsContact CD-O 3.26Å; R811-V813 WeakPolarHBondContact CD-O 3.26Å; R811-V813 HydrophobicContact CG-CB 4.46Å; R811-V813 WeakPolarHBondContact CG-O 3.24Å; R811-V813 PolarHBondContact NH1-O 2.94Å; R811-W815 VanDerWaalsContact CZ-CE2 3.47Å; R811-E818 IonicContact CZ-OE1 3.62Å; R811-E818 IonicContact CZ-OE2 3.74Å; R811-E818 IonicContact NH1-OE1 2.75Å; R811-E818 IonicContact NH1-OE2 3.63Å; R811-E818 PolarHBondContact NH1-OE2 3.08Å; R811-E818 VanDerWaalsContact NH2-CD 3.28Å; R811-E818 IonicContact NH2-OE1 3.63Å; R811-E818 PolarHBondContact NH2-OE1 3.43Å; R811-E818 IonicContact NH2-OE2 2.69Å; R811-E818 PolarHBondContact NH2-OE2 3.17Å; R811-E818 VanDerWaalsContact NH2-OE2 3.09Å
812H90.6Very high88.2Confident9 Ų951.2 Ų51.24%0.04224%0.242CC..  trans-110.820.4173-47.6107000112.8L780 Q783 C794 M797 C803 C808 Y810L780-H812 HydrophobicContact CD2-CB 4.04Å; Q783-H812 VanDerWaalsContact CD-N 3.28Å; Q783-H812 PolarHBondContact OE1-ND1 3.11Å; C794-H812 WeakPolarHBondContact CB-CD2 3.32Å; M797-H812 HydrophobicContact CE-CB 3.74Å; M797-H812 HydrophobicContact CG-CB 4.45Å; C803-H812 WeakPolarHBondContact CB-NE2 3.43Å; C803-H812 PolarHBondContact SG-NE2 2.83Å; C808-H812 PolarHBondContact SG-NE2 3.38Å; Y810-H812 PolarHBondContact O-CE1 3.27Å
813V87.7Confident88.1Confident23 Ų2358 Ų5814%0.13928%0.278CS..SBendtrans-121.8123.4174174.40000108R811 K1041R811-V813 VanDerWaalsContact CD-O 3.26Å; R811-V813 WeakPolarHBondContact CD-O 3.26Å; R811-V813 HydrophobicContact CG-CB 4.46Å; R811-V813 WeakPolarHBondContact CG-O 3.24Å; R811-V813 PolarHBondContact NH1-O 2.94Å; V813-K1041 HydrophobicContact CG1-CB 3.91Å; V813-K1041 HydrophobicContact CG1-CD 3.9Å; V813-K1041 HydrophobicContact CG1-CG 3.72Å
814M88.6Confident88Confident4 Ų460.2 Ų60.22%0.0229%0.288CS..  trans-77.7141175.2-174.3165.3-116.100110.3L793 E818 V819 I996 H997 M1036 V1037 S1040 K1041L793-M814 HydrophobicContact CD2-CE 3.88Å; M814-E818 HydrophobicContact CE-CB 4.26Å; M814-E818 HydrophobicContact CG-CB 4Å; M814-V819 HydrophobicContact CG-CG2 4.27Å; M814-V819 HydrophobicContact SD-CG2 4.14Å; M814-I996 HydrophobicContact CE-CG2 3.93Å; M814-I996 HydrophobicContact SD-CG2 4.01Å; M814-H997 HydrophobicContact CE-CB 3.71Å; M814-M1036 HydrophobicContact CB-CG 4.26Å; M814-M1036 HydrophobicContact CE-CE 4.15Å; M814-M1036 HydrophobicContact SD-CE 3.84Å; M814-V1037 HydrophobicContact SD-CG2 4.37Å; M814-S1040 VanDerWaalsContact O-CA 3.23Å; M814-S1040 WeakPolarHBondContact O-CA 3.48Å; M814-S1040 WeakPolarHBondContact O-CB 3.26Å; M814-K1041 PolarHBondContact O-N 3.33Å
815W89.1Confident88.1Confident40 Ų4060.4 Ų60.415%0.15229%0.289CS..BIsolated β-bridgetrans-84.7153172.6-63.9-35.6000111.3R811 D817 E818 V819 K1041 C1043R811-W815 VanDerWaalsContact CZ-CE2 3.47Å; W815-D817 VanDerWaalsContact C-N 3.3Å; W815-D817 WeakPolarHBondContact CB-OD1 3.47Å; W815-D817 PolarHBondContact O-N 3.21Å; W815-E818 HydrophobicContact CB-CG 4.11Å; W815-E818 HydrophobicContact CE3-CG 4.37Å; W815-E818 PolarHBondContact N-OE2 3.11Å; W815-E818 WeakPolarHBondContact O-CB 3.4Å; W815-E818 PolarHBondContact O-N 3.19Å; W815-V819 PolarHBondContact O-N 2.92Å; W815-K1041 CarbonylContact C-O 3.59Å; W815-K1041 VanDerWaalsContact CA-O 3.23Å; W815-K1041 WeakPolarHBondContact CA-O 3.18Å; W815-C1043 HydrophobicContact CB-CB 4.42Å; W815-C1043 HydrophobicContact CD2-CB 3.81Å; W815-C1043 HydrophobicContact CE3-CB 4.15Å; W815-C1043 HydrophobicContact CG-CB 3.94Å
816R88.8Confident88.4Confident141 Ų14158.3 Ų58.353%0.53228%0.284SS..Hα-helixtrans-60.9-37.1-178-70.4-166.8-170142.71113.4E818 V819 K1041 D1042R816-E818 PolarHBondContact O-N 2.67Å; R816-V819 WeakPolarHBondContact O-CB 3.23Å; R816-V819 PolarHBondContact O-N 3.49Å; R816-K1041 PolarHBondContact N-O 3.28Å; R816-D1042 VanDerWaalsContact CD-OD1 3.24Å; R816-D1042 WeakPolarHBondContact CD-OD1 3.49Å; R816-D1042 IonicContact CZ-OD1 2.96Å; R816-D1042 VanDerWaalsContact CZ-OD1 3.25Å; R816-D1042 IonicContact CZ-OD2 3.07Å; R816-D1042 VanDerWaalsContact CZ-OD2 3.29Å; R816-D1042 IonicContact NE-OD1 2.7Å; R816-D1042 PolarHBondContact NE-OD1 3.05Å; R816-D1042 IonicContact NH1-OD1 3.17Å; R816-D1042 PolarHBondContact NH1-OD1 3.4Å; R816-D1042 IonicContact NH1-OD2 3.03Å; R816-D1042 PolarHBondContact NH1-OD2 3.34Å; R816-D1042 IonicContact NH2-OD2 3.84Å
817D84.8Confident88.7Confident89 Ų8961.6 Ų61.648%0.47630%0.297SS..Hα-helixtrans-68.5-22175.463.7-34.7000112.8W815 M1046W815-D817 VanDerWaalsContact C-N 3.3Å; W815-D817 WeakPolarHBondContact CB-OD1 3.47Å; W815-D817 PolarHBondContact O-N 3.21Å; D817-M1046 HydrophobicContact CB-CE 4.44Å
818E86.4Confident89Confident26 Ų2660.2 Ų60.212%0.12130%0.297CS..Hα-helixtrans-84.5-14176.6-64.4176.3144.100113.6R811 M814 W815 R816 H997R811-E818 IonicContact CZ-OE1 3.62Å; R811-E818 IonicContact CZ-OE2 3.74Å; R811-E818 IonicContact NH1-OE1 2.75Å; R811-E818 IonicContact NH1-OE2 3.63Å; R811-E818 PolarHBondContact NH1-OE2 3.08Å; R811-E818 VanDerWaalsContact NH2-CD 3.28Å; R811-E818 IonicContact NH2-OE1 3.63Å; R811-E818 PolarHBondContact NH2-OE1 3.43Å; R811-E818 IonicContact NH2-OE2 2.69Å; R811-E818 PolarHBondContact NH2-OE2 3.17Å; R811-E818 VanDerWaalsContact NH2-OE2 3.09Å; M814-E818 HydrophobicContact CE-CB 4.26Å; M814-E818 HydrophobicContact CG-CB 4Å; W815-E818 HydrophobicContact CB-CG 4.11Å; W815-E818 HydrophobicContact CE3-CG 4.37Å; W815-E818 PolarHBondContact N-OE2 3.11Å; W815-E818 WeakPolarHBondContact O-CB 3.4Å; W815-E818 PolarHBondContact O-N 3.19Å; R816-E818 PolarHBondContact O-N 2.67Å; E818-H997 WeakPolarHBondContact O-CA 3.35Å; E818-H997 WeakPolarHBondContact O-CB 3.3Å; E818-H997 PolarHBondContact O-N 3.11Å; E818-H997 PolarHBondContact O-ND1 3.4Å
819V88.6Confident89.5Confident28 Ų2860.4 Ų60.417%0.1730%0.304CS..Hα-helixtrans-65.6-47.9-176.21700000111.4M814 W815 R816 H997 V1037M814-V819 HydrophobicContact CG-CG2 4.27Å; M814-V819 HydrophobicContact SD-CG2 4.14Å; W815-V819 PolarHBondContact O-N 2.92Å; R816-V819 WeakPolarHBondContact O-CB 3.23Å; R816-V819 PolarHBondContact O-N 3.49Å; V819-H997 PolarHBondContact O-N 3.11Å; V819-V1037 HydrophobicContact CG1-CG1 3.52Å; V819-V1037 HydrophobicContact CG1-CG2 4.43Å; V819-V1037 HydrophobicContact CG2-CG1 4.3Å
820L89Confident90Very high130 Ų13059.6 Ų59.668%0.68130%0.301SS*.SBendtrans-76.7131.6-172.7-66.7176000110.8
821P90.5Very high90.5Very high14 Ų1455.8 Ų55.89%0.09129%0.287CS..PPolyproline II helixtrans-71.5154.9173.431.9-36000111.3K827 A995 H997P821-K827 HydrophobicContact CG-CG 4.32Å; P821-A995 HydrophobicContact CB-CB 3.95Å; P821-A995 HydrophobicContact CG-CB 3.97Å; P821-H997 WeakPolarHBondContact CA-O 3.23Å; P821-H997 WeakPolarHBondContact CB-O 3.34Å
822P90.3Very high90.8Very high36 Ų3661.3 Ų61.323%0.23431%0.308CS..PPolyproline II helixtrans-54.8147.7174-23.432.7000112.2H824 Y825 H997P822-H824 PolarHBondContact O-N 2.93Å; P822-H824 VanDerWaalsContact O-N 3.1Å; P822-Y825 HydrophobicContact CB-CD2 3.76Å; P822-Y825 HydrophobicContact CB-CE2 4.09Å; P822-Y825 HydrophobicContact CB-CG 4.47Å; P822-Y825 HydrophobicContact CG-CD2 3.87Å; P822-Y825 HydrophobicContact CG-CE2 3.84Å; P822-Y825 HydrophobicContact CG-CG 4.42Å; P822-Y825 VanDerWaalsContact O-CB 3.32Å; P822-Y825 WeakPolarHBondContact O-CB 3.44Å; P822-Y825 PolarHBondContact O-N 2.84Å; P822-H997 VanDerWaalsContact CD-O 3.32Å; P822-H997 WeakPolarHBondContact CD-O 3.46Å
823D89.8Confident91Very high153 Ų15360.9 Ų60.982%0.81831%0.306SS*.THydrogen-bonded Turntrans-59.1-30.9-170.9-68.7-33.3000115Y825D823-Y825 VanDerWaalsContact C-N 3.28Å; D823-Y825 PolarHBondContact O-N 2.75Å
824H91.6Very high91.2Very high46 Ų4660.7 Ų60.721%0.21330%0.304CS..THydrogen-bonded Turntrans-79.6-7178.362.8-75.8000113.4P822 Q851 R945 M948P822-H824 PolarHBondContact O-N 2.93Å; P822-H824 VanDerWaalsContact O-N 3.1Å; H824-Q851 PolarHBondContact O-NE2 3.03Å; H824-Q851 PolarHBondContact O-OE1 3.36Å; H824-R945 WeakPolarHBondContact NE2-CG 3.48Å; H824-R945 PolarHBondContact NE2-O 2.84Å; H824-M948 VanDerWaalsContact CD2-CE 3.5Å; H824-M948 WeakPolarHBondContact CD2-CE 3.49Å
825Y94.1Very high91.4Very high8 Ų861.9 Ų61.93%0.03131%0.311CS..SBendtrans-77.8136.3177.4-83.3-132000111P822 D823 K827 R945 M948 R998 I1000P822-Y825 HydrophobicContact CB-CD2 3.76Å; P822-Y825 HydrophobicContact CB-CE2 4.09Å; P822-Y825 HydrophobicContact CB-CG 4.47Å; P822-Y825 HydrophobicContact CG-CD2 3.87Å; P822-Y825 HydrophobicContact CG-CE2 3.84Å; P822-Y825 HydrophobicContact CG-CG 4.42Å; P822-Y825 VanDerWaalsContact O-CB 3.32Å; P822-Y825 WeakPolarHBondContact O-CB 3.44Å; P822-Y825 PolarHBondContact O-N 2.84Å; D823-Y825 VanDerWaalsContact C-N 3.28Å; D823-Y825 PolarHBondContact O-N 2.75Å; Y825-K827 PolarHBondContact O-N 2.89Å; Y825-R945 HydrophobicContact CE2-CG 4.4Å; Y825-M948 HydrophobicContact CD1-SD 4.41Å; Y825-M948 HydrophobicContact CD2-CE 3.88Å; Y825-M948 HydrophobicContact CD2-CG 4.49Å; Y825-M948 HydrophobicContact CD2-SD 4.18Å; Y825-M948 HydrophobicContact CE1-CB 4.07Å; Y825-M948 HydrophobicContact CE1-CG 4.07Å; Y825-M948 HydrophobicContact CE1-SD 4.37Å; Y825-M948 HydrophobicContact CE2-CE 3.96Å; Y825-M948 HydrophobicContact CE2-CG 3.87Å; Y825-M948 HydrophobicContact CE2-SD 4.15Å; Y825-M948 HydrophobicContact CG-CE 4.49Å; Y825-M948 HydrophobicContact CG-SD 4.32Å; Y825-R998 WeakPolarHBondContact CE1-O 3.49Å; Y825-R998 PolarHBondContact OH-O 3.34Å; Y825-I1000 HydrophobicContact CD1-CD1 3.91Å; Y825-I1000 HydrophobicContact CD1-CG1 3.66Å; Y825-I1000 HydrophobicContact CE1-CD1 4.26Å; Y825-I1000 HydrophobicContact CE1-CG1 4.07Å
826P93.9Very high91.4Very high20 Ų2061.1 Ų61.113%0.1331%0.31CS..  trans-68.5126.5174.728.3-33.1000109.7I831 L848 V992 I1000P826-I831 HydrophobicContact CB-CG2 3.76Å; P826-I831 HydrophobicContact CG-CG2 3.69Å; P826-L848 HydrophobicContact CG-CD1 3.92Å; P826-V992 HydrophobicContact CB-CG2 4.25Å; P826-V992 HydrophobicContact CG-CG2 4.18Å; P826-I1000 HydrophobicContact CG-CD1 3.86Å
827K90.3Very high91.5Very high120 Ų12056.3 Ų56.352%0.52230%0.296SS..  trans-88.4-26.3179.3-61.8-178.9-177.1177.40112.6P821 Y825P821-K827 HydrophobicContact CG-CG 4.32Å; Y825-K827 PolarHBondContact O-N 2.89Å
828N91Very high91.9Very high128 Ų12852.6 Ų52.668%0.68428%0.277SS*.SBendtrans-158.4171.1176.658.150000110.4
829G94.3Very high92.1Very high32 Ų3253.5 Ų53.533%0.3328%0.28SS..EExtended strand (participates in β ladder)trans96.8-178.1172.400000114.9V991 V992G829-V991 WeakPolarHBondContact O-CA 3.36Å; G829-V992 PolarHBondContact O-N 3.46Å
830L95.8Very high92.3Very high111 Ų11153 Ų5358%0.58128%0.278SS*.EExtended strand (participates in β ladder)trans-79.8130.2178.5-177.472.1000109.8H989 V991L830-H989 HydrophobicContact CD1-CB 4.22Å; L830-V991 HydrophobicContact CD1-CG2 4.07Å
831I96.4Very high92.5Very high10 Ų1046.9 Ų46.95%0.05125%0.246CC..EExtended strand (participates in β ladder)trans-117.5144.6174.957.4165.1000110.5P826 F833 L848 L950 H989 A990 V992 I1000P826-I831 HydrophobicContact CB-CG2 3.76Å; P826-I831 HydrophobicContact CG-CG2 3.69Å; I831-F833 HydrophobicContact CD1-CD1 3.89Å; I831-F833 HydrophobicContact CD1-CE1 4.14Å; I831-F833 HydrophobicContact CG1-CD1 4.03Å; I831-F833 HydrophobicContact CG1-CE1 4.27Å; I831-L848 HydrophobicContact CB-CD2 4.21Å; I831-L848 HydrophobicContact CD1-CD2 4.13Å; I831-L950 HydrophobicContact CD1-CD1 3.66Å; I831-H989 WeakPolarHBondContact O-CA 3.44Å; I831-H989 WeakPolarHBondContact O-CB 3.4Å; I831-A990 HydrophobicContact CG1-CB 4.32Å; I831-A990 VanDerWaalsContact CG1-O 3.28Å; I831-A990 WeakPolarHBondContact CG1-O 3.09Å; I831-A990 PolarHBondContact N-O 2.84Å; I831-A990 PolarHBondContact O-N 3Å; I831-A990 VanDerWaalsContact O-N 3.13Å; I831-V992 HydrophobicContact CB-CG2 4.44Å; I831-V992 HydrophobicContact CD1-CG2 3.88Å; I831-V992 HydrophobicContact CG1-CG2 3.96Å; I831-V992 HydrophobicContact CG2-CG2 3.63Å; I831-I1000 HydrophobicContact CD1-CG2 4.41Å
832R95.6Very high92.7Very high119 Ų11946.6 Ų46.645%0.44924%0.244SC..EExtended strand (participates in β ladder)trans-113.7133.1169.2-66.4-178.2-68.4-142.34.3110S849 D850 F988 H989R832-S849 PolarHBondContact O-N 3.32Å; R832-D850 IonicContact CZ-OD1 2.75Å; R832-D850 IonicContact CZ-OD2 2.69Å; R832-D850 IonicContact NE-OD1 3.95Å; R832-D850 PolarHBondContact NE-OD1 3.06Å; R832-D850 VanDerWaalsContact NE-OD1 3.1Å; R832-D850 IonicContact NE-OD2 3.18Å; R832-D850 PolarHBondContact NE-OD2 3.08Å; R832-D850 VanDerWaalsContact NE-OD2 3.11Å; R832-D850 IonicContact NH2-OD1 3.46Å; R832-D850 PolarHBondContact NH2-OD1 3.4Å; R832-D850 IonicContact NH2-OD2 2.7Å; R832-D850 PolarHBondContact NH2-OD2 3.32Å; R832-F988 CarbonylContact C-O 3.53Å; R832-F988 WeakPolarHBondContact CA-O 3.41Å; R832-H989 HydrophobicContact CG-CB 4.31Å
833F94.6Very high92.9Very high0 Ų045.5 Ų45.50%024%0.238CC..EExtended strand (participates in β ladder)trans-149.6161.1-171.860.3-92000113.5I831 V835 V846 R847 L848 L950 F988 A990 I1005I831-F833 HydrophobicContact CD1-CD1 3.89Å; I831-F833 HydrophobicContact CD1-CE1 4.14Å; I831-F833 HydrophobicContact CG1-CD1 4.03Å; I831-F833 HydrophobicContact CG1-CE1 4.27Å; F833-V835 HydrophobicContact CD2-CG2 4.32Å; F833-V835 HydrophobicContact CE2-CG2 4.04Å; F833-V846 HydrophobicContact CB-CB 4.15Å; F833-V846 HydrophobicContact CB-CG2 4.41Å; F833-V846 HydrophobicContact CD2-CB 3.68Å; F833-V846 HydrophobicContact CD2-CG1 3.5Å; F833-V846 VanDerWaalsContact CD2-CG1 3.5Å; F833-V846 HydrophobicContact CD2-CG2 4.37Å; F833-V846 HydrophobicContact CE2-CB 4.37Å; F833-V846 HydrophobicContact CE2-CG1 3.7Å; F833-V846 HydrophobicContact CG-CB 4.11Å; F833-V846 HydrophobicContact CG-CG1 4.33Å; F833-V846 HydrophobicContact CG-CG2 4.4Å; F833-R847 CarbonylContact C-O 3.56Å; F833-R847 WeakPolarHBondContact CA-O 3.35Å; F833-R847 WeakPolarHBondContact CB-O 3.36Å; F833-L848 HydrophobicContact CB-CD2 4.17Å; F833-L950 HydrophobicContact CD1-CD1 4.35Å; F833-L950 HydrophobicContact CE1-CD1 3.97Å; F833-L950 HydrophobicContact CZ-CD1 4.08Å; F833-L950 HydrophobicContact CZ-CD2 4.42Å; F833-F988 HydrophobicContact CD2-CB 4.06Å; F833-F988 HydrophobicContact CE1-CB 4.37Å; F833-F988 HydrophobicContact CE2-CB 3.61Å; F833-F988 HydrophobicContact CE2-CG 4.45Å; F833-F988 HydrophobicContact CZ-CB 3.79Å; F833-F988 PolarHBondContact N-O 3.21Å; F833-F988 PolarHBondContact O-N 2.96Å; F833-A990 HydrophobicContact CE1-CB 3.76Å; F833-A990 HydrophobicContact CZ-CB 4.32Å; F833-I1005 HydrophobicContact CE2-CG2 4.35Å; F833-I1005 HydrophobicContact CZ-CD1 4.22Å; F833-I1005 HydrophobicContact CZ-CG1 4.26Å; F833-I1005 HydrophobicContact CZ-CG2 3.76Å
834L92.3Very high93.2Very high20 Ų2038.2 Ų38.211%0.10520%0.2CC..EExtended strand (participates in β ladder)trans-104134.6169.3-177.264.3000108.9L836 V846 R847 P862 R986L834-L836 PolarHBondContact O-N 3.25Å; L834-V846 CarbonylContact O-C 3.58Å; L834-V846 VanDerWaalsContact O-CA 3.28Å; L834-V846 WeakPolarHBondContact O-CA 3.49Å; L834-R847 PolarHBondContact N-O 3.09Å; L834-R847 PolarHBondContact O-N 2.92Å; L834-P862 HydrophobicContact CD2-CB 3.6Å; L834-P862 HydrophobicContact CD2-CG 3.42Å; L834-P862 VanDerWaalsContact CD2-CG 3.42Å; L834-R986 WeakPolarHBondContact CD1-O 3.28Å
835V91.9Very high93.4Very high28 Ų2836 Ų3617%0.1719%0.19CC..EExtended strand (participates in β ladder)trans-78.7118.4173179.20000108.8F833 L844 F977 F988F833-V835 HydrophobicContact CD2-CG2 4.32Å; F833-V835 HydrophobicContact CE2-CG2 4.04Å; V835-L844 HydrophobicContact CG2-CD1 4.33Å; V835-F977 HydrophobicContact CG2-CD1 3.95Å; V835-F977 HydrophobicContact CG2-CE1 3.77Å; V835-F977 HydrophobicContact CG2-CZ 4.32Å; V835-F988 HydrophobicContact CG2-CD2 3.73Å; V835-F988 HydrophobicContact CG2-CE2 4Å; V835-F988 HydrophobicContact CG2-CG 4.32Å
836L89.9Confident93.4Very high24 Ų2435.7 Ų35.713%0.12619%0.188CC..EExtended strand (participates in β ladder)trans-87.8-50.4176.1-58.1175.1000110.3L834 A845 R847 F861 D920 T921 A947L834-L836 PolarHBondContact O-N 3.25Å; L836-A845 HydrophobicContact CB-CB 4.48Å; L836-A845 WeakPolarHBondContact CB-O 3.39Å; L836-A845 PolarHBondContact N-O 3.02Å; L836-R847 HydrophobicContact CD1-CB 3.99Å; L836-R847 HydrophobicContact CD2-CB 4.18Å; L836-R847 HydrophobicContact CG-CB 4.16Å; L836-F861 HydrophobicContact CD2-CZ 4.3Å; L836-D920 WeakPolarHBondContact CD1-O 3.34Å; L836-T921 WeakPolarHBondContact CB-O 3.49Å; L836-A947 HydrophobicContact CD1-CB 3.86Å
837V90.6Very high93.5Very high40 Ų4034.9 Ų34.924%0.24218%0.183CC..EExtended strand (participates in β ladder)trans-139.1140.5-179.8-1700000110Y839 L844 A845V837-Y839 HydrophobicContact CB-CD1 4.45Å; V837-Y839 HydrophobicContact CB-CE1 3.81Å; V837-Y839 HydrophobicContact CG1-CD1 3.73Å; V837-Y839 HydrophobicContact CG1-CE1 3.37Å; V837-L844 WeakPolarHBondContact O-CA 3.32Å; V837-A845 HydrophobicContact CB-CB 4.15Å; V837-A845 PolarHBondContact N-O 3.11Å; V837-A845 VanDerWaalsContact N-O 3.17Å; V837-A845 PolarHBondContact O-N 2.88Å
838C92.4Very high93.7Very high11 Ų1129.4 Ų29.47%0.07416%0.159CC..EExtended strand (participates in β ladder)trans-106.5101.4172.2172.80000108.9L844 R969 R973 F977C838-L844 HydrophobicContact CB-CD2 3.85Å; C838-R969 VanDerWaalsContact O-CD 3.26Å; C838-R969 WeakPolarHBondContact O-CD 3.38Å; C838-R969 VanDerWaalsContact O-CG 3.29Å; C838-R969 WeakPolarHBondContact O-CG 3.32Å; C838-R973 HydrophobicContact CB-CB 4.49Å; C838-F977 HydrophobicContact CB-CD2 4.18Å; C838-F977 HydrophobicContact CB-CE2 4.1Å
839Y91.6Very high93.7Very high46 Ų4624.1 Ų24.118%0.1813%0.132CC..EExtended strand (participates in β ladder)trans-77.3-40.2179.5-55.8-53000111.9V837 A843 A845 S922 T923 E924 R969V837-Y839 HydrophobicContact CB-CD1 4.45Å; V837-Y839 HydrophobicContact CB-CE1 3.81Å; V837-Y839 HydrophobicContact CG1-CD1 3.73Å; V837-Y839 HydrophobicContact CG1-CE1 3.37Å; Y839-A843 WeakPolarHBondContact CB-O 3.41Å; Y839-A843 PolarHBondContact N-O 3.1Å; Y839-A845 HydrophobicContact CE2-CB 3.71Å; Y839-A845 VanDerWaalsContact OH-CB 3.26Å; Y839-A845 WeakPolarHBondContact OH-CB 2.92Å; Y839-S922 PolarHBondContact OH-OG 3.46Å; Y839-T923 WeakPolarHBondContact CE2-OG1 3.42Å; Y839-T923 PolarHBondContact OH-N 3.4Å; Y839-T923 PolarHBondContact OH-OG1 2.96Å; Y839-T923 VanDerWaalsContact OH-OG1 3.11Å; Y839-E924 HydrophobicContact CD1-CG 4.12Å; Y839-E924 WeakPolarHBondContact CD1-OE1 3.44Å; Y839-E924 HydrophobicContact CE1-CG 3.38Å; Y839-E924 WeakPolarHBondContact CE1-OE1 3.45Å; Y839-E924 PolarHBondContact OH-N 3.18Å; Y839-R969 WeakPolarHBondContact O-CD 3.18Å
840S92.8Very high93.5Very high17 Ų1727.2 Ų27.212%0.11914%0.141CC..EExtended strand (participates in β ladder)trans-155.4171175.876.10000109.9A842 A843S840-A842 PolarHBondContact O-N 2.84Å; S840-A842 PolarHBondContact OG-N 3.26Å; S840-A843 PolarHBondContact N-O 2.88Å; S840-A843 PolarHBondContact O-N 2.81Å; S840-A843 VanDerWaalsContact O-O 3.1Å; S840-A843 PolarHBondContact OG-N 2.7Å; S840-A843 VanDerWaalsContact OG-N 3.13Å
841P93.3Very high93.3Very high1 Ų126.1 Ų26.11%0.00613%0.133CC..THydrogen-bonded Turntrans-53-20.5171.1-3039000115.2W964 A968 V972 V1017P841-W964 HydrophobicContact CB-CD2 4.19Å; P841-W964 HydrophobicContact CB-CE3 4.14Å; P841-W964 HydrophobicContact CB-CH2 4.08Å; P841-W964 HydrophobicContact CB-CZ2 4.18Å; P841-W964 HydrophobicContact CB-CZ3 4.07Å; P841-W964 HydrophobicContact CG-CD2 3.81Å; P841-W964 HydrophobicContact CG-CE3 3.6Å; P841-W964 HydrophobicContact CG-CG 4.31Å; P841-W964 HydrophobicContact CG-CH2 4.4Å; P841-W964 HydrophobicContact CG-CZ3 3.91Å; P841-A968 HydrophobicContact CG-CB 4.01Å; P841-V972 HydrophobicContact CB-CG2 4.09Å; P841-V972 HydrophobicContact CG-CG2 4Å; P841-V1017 HydrophobicContact CB-CG1 3.93Å; P841-V1017 HydrophobicContact CB-CG2 3.8Å
842A94.5Very high93.1Very high8 Ų826.9 Ų26.97%0.06614%0.136CC..THydrogen-bonded Turntrans-115.3-2.5-177.400000114.6S840 R951 I952 L955 W964S840-A842 PolarHBondContact O-N 2.84Å; S840-A842 PolarHBondContact OG-N 3.26Å; A842-R951 CarbonylContact O-C 3.54Å; A842-R951 VanDerWaalsContact O-CA 3.23Å; A842-R951 WeakPolarHBondContact O-CA 3.24Å; A842-I952 PolarHBondContact O-N 3.35Å; A842-L955 HydrophobicContact CB-CB 3.99Å; A842-L955 HydrophobicContact CB-CD2 3.93Å; A842-L955 HydrophobicContact CB-CG 3.95Å; A842-L955 VanDerWaalsContact CB-O 3.29Å; A842-L955 WeakPolarHBondContact CB-O 3.49Å; A842-W964 HydrophobicContact CB-CZ2 4.43Å
843A95Very high92.9Very high13 Ų1324.4 Ų24.411%0.10714%0.135CC..EExtended strand (participates in β ladder)trans-143.3128-174.800000111.7Y839 S840 R951Y839-A843 WeakPolarHBondContact CB-O 3.41Å; Y839-A843 PolarHBondContact N-O 3.1Å; S840-A843 PolarHBondContact N-O 2.88Å; S840-A843 PolarHBondContact O-N 2.81Å; S840-A843 VanDerWaalsContact O-O 3.1Å; S840-A843 PolarHBondContact OG-N 2.7Å; S840-A843 VanDerWaalsContact OG-N 3.13Å; A843-R951 HydrophobicContact CB-CG 4.14Å
844L95.6Very high92.6Very high1 Ų126.7 Ų26.71%0.00515%0.149CC..EExtended strand (participates in β ladder)trans-136.7149.7-172.3-52174.8000110.4V835 V837 C838 V846 L950 F977 I1005V835-L844 HydrophobicContact CG2-CD1 4.33Å; V837-L844 WeakPolarHBondContact O-CA 3.32Å; C838-L844 HydrophobicContact CB-CD2 3.85Å; L844-V846 HydrophobicContact CB-CG1 3.92Å; L844-V846 HydrophobicContact CD1-CG1 4.47Å; L844-L950 HydrophobicContact CD1-CD2 4.25Å; L844-L950 PolarHBondContact N-O 3.34Å; L844-L950 PolarHBondContact O-N 2.88Å; L844-F977 HydrophobicContact CD1-CE1 4.39Å; L844-F977 HydrophobicContact CD1-CE2 4.44Å; L844-F977 HydrophobicContact CD1-CZ 3.7Å; L844-F977 HydrophobicContact CD2-CE2 3.7Å; L844-F977 HydrophobicContact CD2-CZ 3.8Å; L844-F977 HydrophobicContact CG-CZ 4.44Å; L844-I1005 HydrophobicContact CD1-CD1 3.34Å
845A95.3Very high92.4Very high0 Ų027.9 Ų27.90%016%0.162CC..EExtended strand (participates in β ladder)trans-94.2128156.600000109.3L836 V837 Y839 T923 M948L836-A845 HydrophobicContact CB-CB 4.48Å; L836-A845 WeakPolarHBondContact CB-O 3.39Å; L836-A845 PolarHBondContact N-O 3.02Å; V837-A845 HydrophobicContact CB-CB 4.15Å; V837-A845 PolarHBondContact N-O 3.11Å; V837-A845 VanDerWaalsContact N-O 3.17Å; V837-A845 PolarHBondContact O-N 2.88Å; Y839-A845 HydrophobicContact CE2-CB 3.71Å; Y839-A845 VanDerWaalsContact OH-CB 3.26Å; Y839-A845 WeakPolarHBondContact OH-CB 2.92Å; A845-T923 HydrophobicContact CB-CG2 4.32Å; A845-M948 WeakPolarHBondContact CA-O 3.33Å
846V95.3Very high92.2Very high0 Ų029.8 Ų29.80%017%0.171CC..EExtended strand (participates in β ladder)trans-129.2156.7-176.2-55.90000111.1F833 L834 L844 M948 L950F833-V846 HydrophobicContact CB-CB 4.15Å; F833-V846 HydrophobicContact CB-CG2 4.41Å; F833-V846 HydrophobicContact CD2-CB 3.68Å; F833-V846 HydrophobicContact CD2-CG1 3.5Å; F833-V846 VanDerWaalsContact CD2-CG1 3.5Å; F833-V846 HydrophobicContact CD2-CG2 4.37Å; F833-V846 HydrophobicContact CE2-CB 4.37Å; F833-V846 HydrophobicContact CE2-CG1 3.7Å; F833-V846 HydrophobicContact CG-CB 4.11Å; F833-V846 HydrophobicContact CG-CG1 4.33Å; F833-V846 HydrophobicContact CG-CG2 4.4Å; L834-V846 CarbonylContact O-C 3.58Å; L834-V846 VanDerWaalsContact O-CA 3.28Å; L834-V846 WeakPolarHBondContact O-CA 3.49Å; L844-V846 HydrophobicContact CB-CG1 3.92Å; L844-V846 HydrophobicContact CD1-CG1 4.47Å; V846-M948 HydrophobicContact CG2-CB 4.25Å; V846-M948 PolarHBondContact N-O 2.75Å; V846-M948 PolarHBondContact O-N 3.44Å; V846-L950 HydrophobicContact CG1-CB 3.99Å; V846-L950 HydrophobicContact CG1-CD1 4.48Å; V846-L950 HydrophobicContact CG2-CB 3.72Å; V846-L950 HydrophobicContact CG2-CD1 4.01Å; V846-L950 HydrophobicContact CG2-CG 4.49Å
847R94.6Very high91.8Very high4 Ų432.5 Ų32.52%0.01518%0.179CC..EExtended strand (participates in β ladder)trans-120.9127168.7-178.1171.968.3-177.50.3110.4F833 L834 L836 S849 F852 T854 P862 E946F833-R847 CarbonylContact C-O 3.56Å; F833-R847 WeakPolarHBondContact CA-O 3.35Å; F833-R847 WeakPolarHBondContact CB-O 3.36Å; L834-R847 PolarHBondContact N-O 3.09Å; L834-R847 PolarHBondContact O-N 2.92Å; L836-R847 HydrophobicContact CD1-CB 3.99Å; L836-R847 HydrophobicContact CD2-CB 4.18Å; L836-R847 HydrophobicContact CG-CB 4.16Å; R847-S849 PolarHBondContact O-N 2.74Å; R847-F852 HydrophobicContact CG-CB 3.67Å; R847-F852 HydrophobicContact CG-CD2 4.34Å; R847-F852 HydrophobicContact CG-CG 4.42Å; R847-F852 PolarHBondContact NE-O 2.99Å; R847-T854 PolarHBondContact NH2-OG1 2.69Å; R847-P862 PolarHBondContact NH2-O 2.98Å; R847-E946 WeakPolarHBondContact CD-OE2 3.45Å; R847-E946 HydrophobicContact CG-CB 4.28Å; R847-E946 IonicContact NH1-OE2 3.97Å; R847-E946 PolarHBondContact NH1-OE2 3Å
848L94.9Very high91.4Very high5 Ų533.5 Ų33.53%0.02618%0.18CC..EExtended strand (participates in β ladder)trans-68.2117.2179.3-58.3-175.8000110.1P826 I831 F833 D850 Q851 F852 M948P826-L848 HydrophobicContact CG-CD1 3.92Å; I831-L848 HydrophobicContact CB-CD2 4.21Å; I831-L848 HydrophobicContact CD1-CD2 4.13Å; F833-L848 HydrophobicContact CB-CD2 4.17Å; L848-D850 VanDerWaalsContact C-N 3.31Å; L848-D850 PolarHBondContact O-N 3.02Å; L848-Q851 HydrophobicContact CB-CB 4.28Å; L848-Q851 HydrophobicContact CB-CG 4.44Å; L848-Q851 HydrophobicContact CD1-CG 4.47Å; L848-Q851 PolarHBondContact O-N 3.41Å; L848-F852 HydrophobicContact CB-CD2 4.42Å; L848-F852 PolarHBondContact O-N 2.73Å; L848-M948 HydrophobicContact CD1-CE 3.71Å; L848-M948 HydrophobicContact CD1-SD 3.55Å; L848-M948 VanDerWaalsContact CD1-SD 3.55Å; L848-M948 HydrophobicContact CD2-SD 4.3Å; L848-M948 HydrophobicContact CG-CE 4.08Å; L848-M948 HydrophobicContact CG-SD 3.65Å
849S91.6Very high90.8Very high17 Ų1738.5 Ų38.512%0.11921%0.206CC..THydrogen-bonded Turntrans-70.9-29.3-173.6-63.90000112.8R832 R847R832-S849 PolarHBondContact O-N 3.32Å; R847-S849 PolarHBondContact O-N 2.74Å
850D90.4Very high90.1Very high97 Ų9742 Ų4252%0.51923%0.227SC..THydrogen-bonded Turntrans-75.9-26.6179.8-63-39.1000112.7R832 L848R832-D850 IonicContact CZ-OD1 2.75Å; R832-D850 IonicContact CZ-OD2 2.69Å; R832-D850 IonicContact NE-OD1 3.95Å; R832-D850 PolarHBondContact NE-OD1 3.06Å; R832-D850 VanDerWaalsContact NE-OD1 3.1Å; R832-D850 IonicContact NE-OD2 3.18Å; R832-D850 PolarHBondContact NE-OD2 3.08Å; R832-D850 VanDerWaalsContact NE-OD2 3.11Å; R832-D850 IonicContact NH2-OD1 3.46Å; R832-D850 PolarHBondContact NH2-OD1 3.4Å; R832-D850 IonicContact NH2-OD2 2.7Å; R832-D850 PolarHBondContact NH2-OD2 3.32Å; L848-D850 VanDerWaalsContact C-N 3.31Å; L848-D850 PolarHBondContact O-N 3.02Å
851Q90.9Very high89.5Confident87 Ų8743.1 Ų43.141%0.40723%0.231SC..THydrogen-bonded Turntrans-98.1-38.5179.2-63.9-176.211.400112.3H824 L848 P853H824-Q851 PolarHBondContact O-NE2 3.03Å; H824-Q851 PolarHBondContact O-OE1 3.36Å; L848-Q851 HydrophobicContact CB-CB 4.28Å; L848-Q851 HydrophobicContact CB-CG 4.44Å; L848-Q851 HydrophobicContact CD1-CG 4.47Å; L848-Q851 PolarHBondContact O-N 3.41Å; Q851-P853 WeakPolarHBondContact O-CD 3.43Å
852F92.4Very high89.1Confident26 Ų2643.8 Ų43.811%0.11424%0.235CC..SBendtrans-12974.6-174-49.4-69.3000109.5R847 L848 P944 E946 M948R847-F852 HydrophobicContact CG-CB 3.67Å; R847-F852 HydrophobicContact CG-CD2 4.34Å; R847-F852 HydrophobicContact CG-CG 4.42Å; R847-F852 PolarHBondContact NE-O 2.99Å; L848-F852 HydrophobicContact CB-CD2 4.42Å; L848-F852 PolarHBondContact O-N 2.73Å; F852-P944 HydrophobicContact CE1-CG 3.96Å; F852-P944 HydrophobicContact CZ-CG 4.06Å; F852-E946 HydrophobicContact CB-CG 4.33Å; F852-E946 HydrophobicContact CD1-CG 3.84Å; F852-E946 HydrophobicContact CD2-CB 4.45Å; F852-E946 HydrophobicContact CD2-CG 4.48Å; F852-E946 HydrophobicContact CE1-CG 4.28Å; F852-E946 HydrophobicContact CG-CB 4.3Å; F852-E946 HydrophobicContact CG-CG 3.95Å; F852-M948 HydrophobicContact CE2-CE 3.89Å
853P90.9Very high88.7Confident68 Ų6844.1 Ų44.144%0.44224%0.235SC..  trans-63.2156.1-178.726.9-34.4000111.5Q851 A855 S864Q851-P853 WeakPolarHBondContact O-CD 3.43Å; P853-A855 PolarHBondContact O-N 2.7Å; P853-S864 WeakPolarHBondContact O-CA 3.48Å
854T89.2Confident88.6Confident47 Ų4743.7 Ų43.729%0.28823%0.231SC..  trans-78.9116.5174.5-56.90000109R847 P862 M863R847-T854 PolarHBondContact NH2-OG1 2.69Å; T854-P862 HydrophobicContact CG2-CB 3.67Å; T854-M863 CarbonylContact C-O 3.59Å; T854-M863 WeakPolarHBondContact CA-O 3.5Å
855A88Confident88.5Confident46 Ų4648.1 Ų48.138%0.3826%0.255SS..  trans-83.8-50.217800000111.5P853 M863 D865P853-A855 PolarHBondContact O-N 2.7Å; A855-M863 PolarHBondContact N-O 3.27Å; A855-D865 WeakPolarHBondContact CB-OD1 3.48Å
856I87Confident88.4Confident68 Ų6848.6 Ų48.635%0.34926%0.257SS..EExtended strand (participates in β ladder)trans-143.4159.6-175.3-169.7165.7000111M863 E868I856-M863 HydrophobicContact CG2-CB 4.05Å; I856-M863 HydrophobicContact CG2-CE 3.6Å; I856-M863 PolarHBondContact N-O 3.35Å; I856-M863 PolarHBondContact O-N 3.39Å; I856-E868 HydrophobicContact CG2-CB 3.98Å; I856-E868 HydrophobicContact CG2-CG 4.13Å
857R82.6Confident88.2Confident80 Ų8049.2 Ų49.230%0.30226%0.264SS..EExtended strand (participates in β ladder)trans-109116.8167.8-72.4-179171.8-83.4-12110.2N860 F861 R984 N985R857-N860 PolarHBondContact NH1-O 3.35Å; R857-N860 VanDerWaalsContact NH1-O 3.11Å; R857-F861 CarbonylContact C-O 3.6Å; R857-F861 VanDerWaalsContact CA-O 3.25Å; R857-F861 WeakPolarHBondContact CA-O 3.01Å; R857-R984 VanDerWaalsContact CZ-O 3.22Å; R857-R984 PolarHBondContact NH2-O 3.41Å; R857-N985 PolarHBondContact NE-OD1 2.89Å; R857-N985 PolarHBondContact NH2-OD1 3.01Å
858F81.5Confident88.2Confident61 Ų6150.6 Ų50.627%0.26827%0.27SS..EExtended strand (participates in β ladder)trans-109.3120.3176.3178.4-94.6000109.5N860 F861 M863 N898 R899F858-N860 PolarHBondContact O-N 2.93Å; F858-F861 PolarHBondContact N-O 3.3Å; F858-F861 WeakPolarHBondContact O-CA 3.45Å; F858-F861 VanDerWaalsContact O-CB 3.28Å; F858-F861 WeakPolarHBondContact O-CB 3.21Å; F858-F861 PolarHBondContact O-N 3.36Å; F858-M863 HydrophobicContact CB-CE 3.2Å; F858-M863 HydrophobicContact CB-CG 4.36Å; F858-M863 HydrophobicContact CB-SD 3.73Å; F858-M863 HydrophobicContact CD1-SD 4.49Å; F858-M863 HydrophobicContact CD2-CE 4.45Å; F858-M863 HydrophobicContact CG-CE 3.91Å; F858-M863 HydrophobicContact CG-SD 4.31Å; F858-N898 WeakPolarHBondContact CE1-O 3.45Å; F858-R899 HydrophobicContact CD1-CG 3.85Å; F858-R899 HydrophobicContact CE1-CG 3.83Å
859L79.4Confident88.1Confident116 Ų11656.3 Ų56.361%0.60729%0.292SS*.THydrogen-bonded Turntrans49.346.4-173.1-56.6177000112.2F861 N898L859-F861 PolarHBondContact O-N 3.11Å; L859-F861 VanDerWaalsContact O-N 3.1Å; L859-N898 HydrophobicContact CD1-CB 3.68Å
860N77.6Confident88.3Confident119 Ų11955.6 Ų55.664%0.63629%0.287SS*.THydrogen-bonded Turntrans65-1.9-173.5-62.2-46000116.5R857 F858R857-N860 PolarHBondContact NH1-O 3.35Å; R857-N860 VanDerWaalsContact NH1-O 3.11Å; F858-N860 PolarHBondContact O-N 2.93Å
861F79.1Confident88.5Confident42 Ų4251.4 Ų51.418%0.18426%0.264CS..EExtended strand (participates in β ladder)trans-85.5129.1176.7-166-88.4000112L836 R857 F858 L859 M863 T921L836-F861 HydrophobicContact CD2-CZ 4.3Å; R857-F861 CarbonylContact C-O 3.6Å; R857-F861 VanDerWaalsContact CA-O 3.25Å; R857-F861 WeakPolarHBondContact CA-O 3.01Å; F858-F861 PolarHBondContact N-O 3.3Å; F858-F861 WeakPolarHBondContact O-CA 3.45Å; F858-F861 VanDerWaalsContact O-CB 3.28Å; F858-F861 WeakPolarHBondContact O-CB 3.21Å; F858-F861 PolarHBondContact O-N 3.36Å; L859-F861 PolarHBondContact O-N 3.11Å; L859-F861 VanDerWaalsContact O-N 3.1Å; F861-M863 HydrophobicContact CD1-CG 4.16Å; F861-M863 PolarHBondContact O-N 2.62Å; F861-T921 HydrophobicContact CE1-CG2 3.52Å; F861-T921 HydrophobicContact CZ-CG2 3.65Å
862P84.4Confident88.6Confident14 Ų1455.2 Ų55.29%0.09128%0.275CS..EExtended strand (participates in β ladder)trans-73.5115.7178.330.6-33.3000111.2L834 R847 T854L834-P862 HydrophobicContact CD2-CB 3.6Å; L834-P862 HydrophobicContact CD2-CG 3.42Å; L834-P862 VanDerWaalsContact CD2-CG 3.42Å; R847-P862 PolarHBondContact NH2-O 2.98Å; T854-P862 HydrophobicContact CG2-CB 3.67Å
863M87.9Confident88.7Confident16 Ų1656.1 Ų56.18%0.07928%0.279CS..EExtended strand (participates in β ladder)trans-106.6149.4175.8-61.6-167-51.700110.8T854 A855 I856 F858 F861 E868 Q871T854-M863 CarbonylContact C-O 3.59Å; T854-M863 WeakPolarHBondContact CA-O 3.5Å; A855-M863 PolarHBondContact N-O 3.27Å; I856-M863 HydrophobicContact CG2-CB 4.05Å; I856-M863 HydrophobicContact CG2-CE 3.6Å; I856-M863 PolarHBondContact N-O 3.35Å; I856-M863 PolarHBondContact O-N 3.39Å; F858-M863 HydrophobicContact CB-CE 3.2Å; F858-M863 HydrophobicContact CB-CG 4.36Å; F858-M863 HydrophobicContact CB-SD 3.73Å; F858-M863 HydrophobicContact CD1-SD 4.49Å; F858-M863 HydrophobicContact CD2-CE 4.45Å; F858-M863 HydrophobicContact CG-CE 3.91Å; F858-M863 HydrophobicContact CG-SD 4.31Å; F861-M863 HydrophobicContact CD1-CG 4.16Å; F861-M863 PolarHBondContact O-N 2.62Å; M863-E868 HydrophobicContact CE-CB 4.48Å; M863-Q871 HydrophobicContact CE-CB 4.49Å; M863-Q871 HydrophobicContact SD-CB 4.5Å
864S92.1Very high88.9Confident3 Ų352.9 Ų52.92%0.02126%0.258CS..  trans-85.3177.617059.20000109.6P853 L866 G867 E868 E946P853-S864 WeakPolarHBondContact O-CA 3.48Å; S864-L866 PolarHBondContact O-N 3.43Å; S864-L866 PolarHBondContact OG-N 3.12Å; S864-G867 PolarHBondContact O-N 2.81Å; S864-G867 PolarHBondContact OG-N 3.46Å; S864-E868 WeakPolarHBondContact O-CB 3.13Å; S864-E868 PolarHBondContact O-N 2.75Å; S864-E946 WeakPolarHBondContact CB-OE1 3.46Å; S864-E946 WeakPolarHBondContact CB-OE2 3.32Å; S864-E946 PolarHBondContact OG-OE1 2.77Å; S864-E946 PolarHBondContact OG-OE2 2.84Å
865D92.9Very high89.2Confident94 Ų9455 Ų5550%0.50327%0.265SS..Hα-helixtrans-56.4-36.7169.5-63.8-38.8000111.7A855 R869A855-D865 WeakPolarHBondContact CB-OD1 3.48Å; D865-R869 VanDerWaalsContact O-CG 3.27Å; D865-R869 WeakPolarHBondContact O-CG 3.23Å; D865-R869 PolarHBondContact O-N 3.47Å
866L93.3Very high89.5Confident10 Ų1057.9 Ų57.95%0.05227%0.273CS..Hα-helixtrans-69.7-48.8177.2179.360.6000111.6S864 E868 R869 V870 R902 F940 S943 E946S864-L866 PolarHBondContact O-N 3.43Å; S864-L866 PolarHBondContact OG-N 3.12Å; L866-E868 PolarHBondContact O-N 3.12Å; L866-R869 PolarHBondContact O-N 2.89Å; L866-R869 VanDerWaalsContact O-N 3.13Å; L866-V870 HydrophobicContact CD1-CG2 4.16Å; L866-V870 HydrophobicContact CG-CG2 4.44Å; L866-V870 WeakPolarHBondContact O-CG2 3.44Å; L866-V870 PolarHBondContact O-N 3Å; L866-R902 VanDerWaalsContact CD2-CZ 3.41Å; L866-F940 HydrophobicContact CD1-CD1 3.94Å; L866-S943 VanDerWaalsContact CD2-CB 3.49Å; L866-E946 WeakPolarHBondContact CB-OE1 3.27Å
867G92.3Very high89.7Confident14 Ų1461.9 Ų61.914%0.14429%0.291CS..Hα-helixtrans-58.1-39.2177.200000112.1S864 Q871S864-G867 PolarHBondContact O-N 2.81Å; S864-G867 PolarHBondContact OG-N 3.46Å; G867-Q871 WeakPolarHBondContact O-CB 3.24Å; G867-Q871 PolarHBondContact O-N 3.06Å
868E93.1Very high90.2Very high32 Ų3262 Ų6215%0.1531%0.308CS..Hα-helixtrans-64.3-45.6173.9179170.2-145.700112.8I856 M863 S864 L866 Q871 R872I856-E868 HydrophobicContact CG2-CB 3.98Å; I856-E868 HydrophobicContact CG2-CG 4.13Å; M863-E868 HydrophobicContact CE-CB 4.48Å; S864-E868 WeakPolarHBondContact O-CB 3.13Å; S864-E868 PolarHBondContact O-N 2.75Å; L866-E868 PolarHBondContact O-N 3.12Å; E868-Q871 PolarHBondContact O-N 3.09Å; E868-R872 HydrophobicContact CG-CG 4.43Å; E868-R872 WeakPolarHBondContact O-CB 3.12Å; E868-R872 WeakPolarHBondContact O-CG 3.4Å; E868-R872 PolarHBondContact O-N 2.98Å; E868-R872 IonicContact OE1-CZ 3.11Å; E868-R872 IonicContact OE1-NE 3.78Å; E868-R872 PolarHBondContact OE1-NE 3.4Å; E868-R872 IonicContact OE1-NH2 3.33Å; E868-R872 PolarHBondContact OE1-NH2 3.31Å
869R94.4Very high90.8Very high126 Ų12661 Ų6148%0.47531%0.306SS..Hα-helixtrans-63.7-42177.4-73.2-173.6-56.2152.34.4112.1D865 L866 H873 F940D865-R869 VanDerWaalsContact O-CG 3.27Å; D865-R869 WeakPolarHBondContact O-CG 3.23Å; D865-R869 PolarHBondContact O-N 3.47Å; L866-R869 PolarHBondContact O-N 2.89Å; L866-R869 VanDerWaalsContact O-N 3.13Å; R869-H873 VanDerWaalsContact O-CB 3.28Å; R869-H873 WeakPolarHBondContact O-CB 3Å; R869-H873 PolarHBondContact O-N 2.58Å; R869-F940 HydrophobicContact CB-CE1 3.97Å; R869-F940 HydrophobicContact CB-CZ 4.43Å
870V94.6Very high91.4Very high2 Ų258.1 Ų58.11%0.01229%0.287CS..Hα-helixtrans-61.9-49.2175.5172.50000109.9L866 R872 H873 Y874 R902 F940L866-V870 HydrophobicContact CD1-CG2 4.16Å; L866-V870 HydrophobicContact CG-CG2 4.44Å; L866-V870 WeakPolarHBondContact O-CG2 3.44Å; L866-V870 PolarHBondContact O-N 3Å; V870-R872 PolarHBondContact O-N 3.28Å; V870-H873 PolarHBondContact O-N 3.03Å; V870-Y874 HydrophobicContact CG1-CD2 4.03Å; V870-Y874 HydrophobicContact CG1-CE2 4.37Å; V870-Y874 WeakPolarHBondContact O-CD2 3.28Å; V870-Y874 PolarHBondContact O-N 3.29Å; V870-Y874 VanDerWaalsContact O-N 3.08Å; V870-R902 HydrophobicContact CG1-CG 4.39Å; V870-R902 HydrophobicContact CG2-CG 4.08Å; V870-F940 HydrophobicContact CG2-CB 4.42Å; V870-F940 HydrophobicContact CG2-CD1 3.84Å; V870-F940 HydrophobicContact CG2-CD2 3.99Å; V870-F940 HydrophobicContact CG2-CE1 4.05Å; V870-F940 HydrophobicContact CG2-CE2 4.21Å; V870-F940 HydrophobicContact CG2-CG 3.83Å; V870-F940 HydrophobicContact CG2-CZ 4.23Å
871Q94.4Very high92.2Very high9 Ų958 Ų584%0.04228%0.282CS..Hα-helixtrans-56.3-53.2177.7-176.367.134.100111.3M863 G867 E868 H873 Y874 E875 N898 R899M863-Q871 HydrophobicContact CE-CB 4.49Å; M863-Q871 HydrophobicContact SD-CB 4.5Å; G867-Q871 WeakPolarHBondContact O-CB 3.24Å; G867-Q871 PolarHBondContact O-N 3.06Å; E868-Q871 PolarHBondContact O-N 3.09Å; Q871-H873 VanDerWaalsContact C-N 3.29Å; Q871-H873 PolarHBondContact O-N 2.77Å; Q871-Y874 PolarHBondContact O-N 2.56Å; Q871-E875 PolarHBondContact NE2-OE2 3.4Å; Q871-E875 WeakPolarHBondContact O-CB 3.43Å; Q871-E875 PolarHBondContact O-N 2.91Å; Q871-N898 PolarHBondContact NE2-O 2.85Å; Q871-R899 VanDerWaalsContact OE1-CA 3.27Å
872R93.5Very high92.8Very high166 Ų16661.5 Ų61.563%0.62630%0.301SS*.Hα-helixtrans-60.9-37.1-178.7-72.3178.3-177.1-172.90.1112.5E868 V870E868-R872 HydrophobicContact CG-CG 4.43Å; E868-R872 WeakPolarHBondContact O-CB 3.12Å; E868-R872 WeakPolarHBondContact O-CG 3.4Å; E868-R872 PolarHBondContact O-N 2.98Å; E868-R872 IonicContact OE1-CZ 3.11Å; E868-R872 IonicContact OE1-NE 3.78Å; E868-R872 PolarHBondContact OE1-NE 3.4Å; E868-R872 IonicContact OE1-NH2 3.33Å; E868-R872 PolarHBondContact OE1-NH2 3.31Å; V870-R872 PolarHBondContact O-N 3.28Å
873H95.2Very high93.1Very high45 Ų4561.3 Ų61.321%0.20830%0.298CS..Hα-helixtrans-68.3-50.8-179.1-17688000112R869 V870 Q871 E875 L876 N879 F940R869-H873 VanDerWaalsContact O-CB 3.28Å; R869-H873 WeakPolarHBondContact O-CB 3Å; R869-H873 PolarHBondContact O-N 2.58Å; V870-H873 PolarHBondContact O-N 3.03Å; Q871-H873 VanDerWaalsContact C-N 3.29Å; Q871-H873 PolarHBondContact O-N 2.77Å; H873-E875 VanDerWaalsContact C-N 3.34Å; H873-L876 PolarHBondContact O-N 3.04Å; H873-N879 PolarHBondContact CE1-ND2 2.79Å; H873-N879 WeakPolarHBondContact O-CB 3.25Å; H873-N879 PolarHBondContact O-ND2 2.93Å; H873-F940 HydrophobicContact CB-CE2 3.78Å; H873-F940 HydrophobicContact CB-CZ 3.75Å; H873-F940 AromaticContact CD2-CE2 3.85Å; H873-F940 AromaticContact CG-CE2 3.74Å
874Y95.3Very high92.9Very high0 Ų065.8 Ų65.80%033%0.329CS..Hα-helixtrans-83.3-9.2-176.2-72-84.2000113.7V870 Q871 L876 R880 V893 Y900 S935 C936 V937 F940V870-Y874 HydrophobicContact CG1-CD2 4.03Å; V870-Y874 HydrophobicContact CG1-CE2 4.37Å; V870-Y874 WeakPolarHBondContact O-CD2 3.28Å; V870-Y874 PolarHBondContact O-N 3.29Å; V870-Y874 VanDerWaalsContact O-N 3.08Å; Q871-Y874 PolarHBondContact O-N 2.56Å; Y874-L876 PolarHBondContact O-N 3.43Å; Y874-R880 WeakPolarHBondContact O-CG 3.07Å; Y874-R880 PolarHBondContact O-NE 3.11Å; Y874-V893 HydrophobicContact CD1-CG1 4.32Å; Y874-V893 HydrophobicContact CD2-CG1 3.98Å; Y874-V893 HydrophobicContact CD2-CG2 4.41Å; Y874-V893 HydrophobicContact CE1-CB 4.29Å; Y874-V893 HydrophobicContact CE1-CG1 4.4Å; Y874-V893 HydrophobicContact CE1-CG2 4.46Å; Y874-V893 HydrophobicContact CE2-CB 4.21Å; Y874-V893 HydrophobicContact CE2-CG1 4.08Å; Y874-V893 HydrophobicContact CE2-CG2 3.71Å; Y874-V893 HydrophobicContact CG-CG1 4.11Å; Y874-Y900 VanDerWaalsContact CB-CD1 3.48Å; Y874-Y900 VanDerWaalsContact CB-CG 3.42Å; Y874-Y900 HydrophobicContact CG-CD1 4.28Å; Y874-Y900 HydrophobicContact CG-CG 4.41Å; Y874-Y900 WeakPolarHBondContact O-CE2 3.33Å; Y874-Y900 VanDerWaalsContact O-CZ 3.32Å; Y874-S935 PolarHBondContact OH-O 2.95Å; Y874-C936 WeakPolarHBondContact OH-CA 3.35Å; Y874-V937 PolarHBondContact OH-N 2.8Å; Y874-V937 VanDerWaalsContact OH-N 3.15Å; Y874-F940 HydrophobicContact CD2-CE2 4.39Å; Y874-F940 AromaticContact CE2-CD2 3.87Å; Y874-F940 HydrophobicContact CE2-CD2 3.87Å; Y874-F940 AromaticContact CE2-CE2 3.8Å; Y874-F940 HydrophobicContact CE2-CE2 3.8Å
875E93.6Very high92.7Very high91 Ų9171.3 Ų71.343%0.42536%0.358SS..Hα-helixtrans-62.2-27.7167-156.763-136.700111.5Q871 H873 E877 R880Q871-E875 PolarHBondContact NE2-OE2 3.4Å; Q871-E875 WeakPolarHBondContact O-CB 3.43Å; Q871-E875 PolarHBondContact O-N 2.91Å; H873-E875 VanDerWaalsContact C-N 3.34Å; E875-E877 PolarHBondContact O-N 3.38Å; E875-R880 PolarHBondContact O-NH2 2.92Å
876L94.8Very high92.5Very high107 Ų10767.4 Ų67.456%0.5634%0.338SS*.SBendtrans-78.1120.5173.6-59.3173.9000110.4H873 Y874 A878 N879H873-L876 PolarHBondContact O-N 3.04Å; Y874-L876 PolarHBondContact O-N 3.43Å; L876-A878 PolarHBondContact O-N 3.18Å; L876-N879 PolarHBondContact O-N 2.76Å
877E91.7Very high92.4Very high153 Ų15370.2 Ų70.272%0.71536%0.355SS*.G310 helixtrans-58.9-34.7-177.6-57.8-160.514400113.1E875 N879 R880E875-E877 PolarHBondContact O-N 3.38Å; E877-N879 PolarHBondContact O-N 3.43Å; E877-N879 VanDerWaalsContact O-N 3.1Å; E877-R880 WeakPolarHBondContact O-CB 3.46Å; E877-R880 PolarHBondContact O-N 3.22Å; E877-R880 IonicContact OE1-NH1 3.76Å; E877-R880 PolarHBondContact OE1-NH1 3.02Å
878A93.6Very high92.1Very high81 Ų8173 Ų7367%0.66937%0.371SS*.G310 helixtrans-60.1-19.8176.900000113.8L876 H881L876-A878 PolarHBondContact O-N 3.18Å; A878-H881 PolarHBondContact O-CE1 3.17Å; A878-H881 PolarHBondContact O-NE2 3.28Å
879N92.9Very high91.8Very high40 Ų4073.7 Ų73.721%0.21439%0.386CS..G310 helixtrans-95.3-6.9179-65.5-25.2000112.9H873 L876 E877 H881H873-N879 PolarHBondContact CE1-ND2 2.79Å; H873-N879 WeakPolarHBondContact O-CB 3.25Å; H873-N879 PolarHBondContact O-ND2 2.93Å; L876-N879 PolarHBondContact O-N 2.76Å; E877-N879 PolarHBondContact O-N 3.43Å; E877-N879 VanDerWaalsContact O-N 3.1Å; N879-H881 VanDerWaalsContact C-N 3.27Å; N879-H881 PolarHBondContact O-N 2.77Å; N879-H881 PolarHBondContact O-ND1 2.69Å
880R93.1Very high91.6Very high56 Ų5670.8 Ų70.821%0.21138%0.378CS..  trans-85.265.1-175.3-59.8178.9-166.8164.43.6111.5Y874 E875 E877 M882 Y900 Y934Y874-R880 WeakPolarHBondContact O-CG 3.07Å; Y874-R880 PolarHBondContact O-NE 3.11Å; E875-R880 PolarHBondContact O-NH2 2.92Å; E877-R880 WeakPolarHBondContact O-CB 3.46Å; E877-R880 PolarHBondContact O-N 3.22Å; E877-R880 IonicContact OE1-NH1 3.76Å; E877-R880 PolarHBondContact OE1-NH1 3.02Å; R880-M882 PolarHBondContact O-N 2.84Å; R880-Y900 PolarHBondContact NE-OH 2.94Å; R880-Y900 PolarHBondContact NH2-OH 2.86Å; R880-Y934 HydrophobicContact CB-CD1 3.99Å; R880-Y934 HydrophobicContact CB-CE1 3.77Å; R880-Y934 HydrophobicContact CG-CE1 4.48Å
881H93.1Very high91.6Very high118 Ų11873 Ų7355%0.54639%0.389SS..PPolyproline II helixtrans-78.6119.2175.6-56.893.8000109.9A878 N879 Y934 S935A878-H881 PolarHBondContact O-CE1 3.17Å; A878-H881 PolarHBondContact O-NE2 3.28Å; N879-H881 VanDerWaalsContact C-N 3.27Å; N879-H881 PolarHBondContact O-N 2.77Å; N879-H881 PolarHBondContact O-ND1 2.69Å; H881-Y934 CarbonylContact O-C 3.48Å; H881-Y934 VanDerWaalsContact O-CA 3.23Å; H881-Y934 WeakPolarHBondContact O-CA 3.39Å; H881-S935 PolarHBondContact O-N 2.93Å
882M92.4Very high91.6Very high115 Ų11572.5 Ų72.557%0.56739%0.387SS*.BIsolated β-bridgetrans-60.4139.4176.3-171.3178.369.900110.4R880 P884 L933R880-M882 PolarHBondContact O-N 2.84Å; M882-P884 WeakPolarHBondContact O-CD 3.18Å; M882-L933 WeakPolarHBondContact CA-O 3.33Å
883H90.6Very high91.8Very high9 Ų964.6 Ų64.64%0.04236%0.357CS..PPolyproline II helixtrans-67.3120.3179.9-161.2-66000110.1N885 P886 E890 L933H883-N885 PolarHBondContact CE1-O 2.83Å; H883-P886 HydrophobicContact CB-CG 4.22Å; H883-P886 WeakPolarHBondContact ND1-CA 3.11Å; H883-E890 IonicContact CE1-OE1 3.14Å; H883-E890 IonicContact CE1-OE2 2.79Å; H883-E890 PolarHBondContact CE1-OE2 2.9Å; H883-E890 VanDerWaalsContact NE2-CD 3.26Å; H883-E890 IonicContact NE2-OE1 3.3Å; H883-E890 PolarHBondContact NE2-OE1 3.21Å; H883-E890 IonicContact NE2-OE2 3.3Å; H883-E890 PolarHBondContact NE2-OE2 3.34Å; H883-L933 HydrophobicContact CB-CB 4.04Å; H883-L933 HydrophobicContact CB-CD2 4.27Å; H883-L933 PolarHBondContact N-O 3.32Å
884P84.4Confident91.8Very high111 Ų11162.5 Ų62.572%0.72135%0.347SS*.SBendtrans-73.3-37.5-16826.9-34.2000113M882M882-P884 WeakPolarHBondContact O-CD 3.18Å
885N88Confident91.7Very high118 Ų11866.4 Ų66.463%0.63136%0.364SS*.SBendtrans-150.989.2177.9-174.523.4000110H883 V887H883-N885 PolarHBondContact CE1-O 2.83Å; N885-V887 PolarHBondContact O-N 3.47Å
886P89.1Confident91.4Very high13 Ų1363.4 Ų63.48%0.08435%0.351CS..  trans-60.7128.2-179.7-24.536000111.6H883 I905 V908 V914 T930 L933H883-P886 HydrophobicContact CB-CG 4.22Å; H883-P886 WeakPolarHBondContact ND1-CA 3.11Å; P886-I905 HydrophobicContact CB-CD1 3.78Å; P886-V908 HydrophobicContact CB-CG2 4.46Å; P886-V908 WeakPolarHBondContact O-CG2 3.39Å; P886-V914 HydrophobicContact CB-CG1 3.95Å; P886-V914 HydrophobicContact CG-CG1 4.34Å; P886-T930 HydrophobicContact CG-CG2 4.17Å; P886-L933 HydrophobicContact CB-CD2 4.01Å; P886-L933 HydrophobicContact CG-CD2 4.02Å
887V89.5Confident90.8Very high69 Ų6964.9 Ų64.942%0.41836%0.358SS..  trans-122140.3177.6-177.80000110.3N885 G889 E890 I905N885-V887 PolarHBondContact O-N 3.47Å; V887-G889 PolarHBondContact O-N 2.77Å; V887-E890 WeakPolarHBondContact O-CB 3.13Å; V887-E890 PolarHBondContact O-N 2.94Å; V887-E890 VanDerWaalsContact O-N 3.15Å; V887-I905 WeakPolarHBondContact O-CB 3.19Å; V887-I905 WeakPolarHBondContact O-CG2 3.3Å
888P87.6Confident90.5Very high72 Ų7261.9 Ų61.947%0.46835%0.347SS..THydrogen-bonded Turntrans-54.6132.4173.4-25.336000112V908P888-V908 HydrophobicContact CG-CG2 4.24Å
889G85.7Confident90.3Very high46 Ų4660 Ų6047%0.47432%0.322SS..THydrogen-bonded Turntrans100.6-21.3-175.500000114.5V887 H904 I905V887-G889 PolarHBondContact O-N 2.77Å; G889-H904 VanDerWaalsContact CA-CE1 3.45Å; G889-H904 WeakPolarHBondContact CA-CE1 3.19Å; G889-H904 WeakPolarHBondContact CA-NE2 3.46Å; G889-H904 PolarHBondContact O-CD2 2.98Å; G889-H904 PolarHBondContact O-NE2 3.38Å; G889-I905 PolarHBondContact N-O 3.41Å
890E90.9Very high90.3Very high65 Ų6558.4 Ų58.430%0.30431%0.313SS..  trans-82.3149.8-177-177.1170.8-160.400112.6H883 V887 I905H883-E890 IonicContact CE1-OE1 3.14Å; H883-E890 IonicContact CE1-OE2 2.79Å; H883-E890 PolarHBondContact CE1-OE2 2.9Å; H883-E890 VanDerWaalsContact NE2-CD 3.26Å; H883-E890 IonicContact NE2-OE1 3.3Å; H883-E890 PolarHBondContact NE2-OE1 3.21Å; H883-E890 IonicContact NE2-OE2 3.3Å; H883-E890 PolarHBondContact NE2-OE2 3.34Å; V887-E890 WeakPolarHBondContact O-CB 3.13Å; V887-E890 PolarHBondContact O-N 2.94Å; V887-E890 VanDerWaalsContact O-N 3.15Å; E890-I905 HydrophobicContact CB-CD1 4.14Å; E890-I905 PolarHBondContact O-N 2.88Å
891M94.3Very high90.3Very high48 Ų4856.1 Ų56.124%0.23631%0.305CS..EExtended strand (participates in β ladder)trans-89.8131.5173.2-96.6-175.5-78.100111.6V903 L919 C936 K941M891-V903 CarbonylContact C-O 3.39Å; M891-V903 WeakPolarHBondContact CA-O 3.48Å; M891-L919 HydrophobicContact CG-CD1 3.76Å; M891-L919 HydrophobicContact SD-CD1 3.71Å; M891-C936 HydrophobicContact CB-CB 4.36Å; M891-C936 VanDerWaalsContact O-CB 3.23Å; M891-C936 WeakPolarHBondContact O-CB 3.3Å; M891-K941 HydrophobicContact CB-CG 4.46Å; M891-K941 HydrophobicContact CE-CB 4.28Å; M891-K941 VanDerWaalsContact CE-O 3.26Å; M891-K941 WeakPolarHBondContact CE-O 3.48Å
892A95.3Very high90.5Very high0 Ų050.5 Ų50.50%028%0.279CS..EExtended strand (participates in β ladder)trans-133.3-179.8177.300000110.7R902 V903 I905 L933 Y934A892-R902 WeakPolarHBondContact O-CA 3.49Å; A892-V903 HydrophobicContact CB-CG2 3.96Å; A892-V903 PolarHBondContact N-O 3.49Å; A892-V903 PolarHBondContact O-N 3.08Å; A892-I905 HydrophobicContact CB-CD1 4.24Å; A892-I905 HydrophobicContact CB-CG1 4.41Å; A892-L933 HydrophobicContact CB-CD1 4.48Å; A892-L933 HydrophobicContact CB-CD2 3.54Å; A892-L933 HydrophobicContact CB-CG 3.71Å; A892-Y934 WeakPolarHBondContact CA-O 3.4Å; A892-Y934 WeakPolarHBondContact CB-O 3.12Å
893V96.3Very high90.6Very high0 Ų045 Ų450%025%0.252CS..EExtended strand (participates in β ladder)trans-126.8138.5175.2175.60000109.7Y874 Y900 E901 R902 Y934 C936Y874-V893 HydrophobicContact CD1-CG1 4.32Å; Y874-V893 HydrophobicContact CD2-CG1 3.98Å; Y874-V893 HydrophobicContact CD2-CG2 4.41Å; Y874-V893 HydrophobicContact CE1-CB 4.29Å; Y874-V893 HydrophobicContact CE1-CG1 4.4Å; Y874-V893 HydrophobicContact CE1-CG2 4.46Å; Y874-V893 HydrophobicContact CE2-CB 4.21Å; Y874-V893 HydrophobicContact CE2-CG1 4.08Å; Y874-V893 HydrophobicContact CE2-CG2 3.71Å; Y874-V893 HydrophobicContact CG-CG1 4.11Å; V893-Y900 HydrophobicContact CG1-CD1 4.24Å; V893-E901 WeakPolarHBondContact CA-O 3.34Å; V893-R902 HydrophobicContact CG2-CG 4.39Å; V893-Y934 PolarHBondContact N-O 2.88Å; V893-Y934 PolarHBondContact O-N 3.26Å; V893-C936 HydrophobicContact CG2-CB 4.19Å
894V95.1Very high90.7Very high0 Ų046.4 Ų46.40%026%0.259CS..EExtended strand (participates in β ladder)trans-123152.7174.2-59.40000111Y900 E901 V903 V916 L918 Y928 L933V894-Y900 WeakPolarHBondContact O-CA 3.31Å; V894-E901 PolarHBondContact N-O 3.05Å; V894-E901 PolarHBondContact O-N 3.18Å; V894-V903 HydrophobicContact CB-CG1 4.42Å; V894-V903 HydrophobicContact CG1-CG1 4.15Å; V894-V903 HydrophobicContact CG1-CG2 3.97Å; V894-V903 HydrophobicContact CG2-CG1 3.56Å; V894-V916 HydrophobicContact CG1-CG2 4.42Å; V894-L918 HydrophobicContact CG2-CD2 4.47Å; V894-Y928 HydrophobicContact CB-CE1 4.32Å; V894-Y928 HydrophobicContact CB-CE2 4.42Å; V894-Y928 HydrophobicContact CG1-CD2 4.26Å; V894-Y928 HydrophobicContact CG1-CE2 4.41Å; V894-Y928 HydrophobicContact CG1-CG 4.32Å; V894-Y928 HydrophobicContact CG2-CE1 4.41Å; V894-Y928 HydrophobicContact CG2-CE2 4.01Å; V894-L933 HydrophobicContact CG1-CD1 3.32Å; V894-L933 HydrophobicContact CG1-CG 4.31Å
895K93Very high91.1Very high83 Ų8341.1 Ų41.136%0.36122%0.224SC..EExtended strand (participates in β ladder)trans-89.3105.7165.8-166.3179.7-172.6167.30109.3R899 Y900 Y934K895-R899 CarbonylContact C-O 3.57Å; K895-R899 WeakPolarHBondContact CA-O 3.28Å; K895-Y900 HydrophobicContact CB-CD1 4.12Å; K895-Y900 HydrophobicContact CB-CE1 3.78Å; K895-Y900 HydrophobicContact CD-CE1 4.14Å; K895-Y900 HydrophobicContact CG-CD1 4.38Å; K895-Y900 HydrophobicContact CG-CE1 3.95Å; K895-Y934 HydrophobicContact CB-CE2 4.36Å
896N87.3Confident91.2Very high27 Ų2738.4 Ų38.414%0.14421%0.212CC..EExtended strand (participates in β ladder)trans-100.9106.7175.2-172.63.6000109.9N898 R899 E901N896-N898 PolarHBondContact O-N 2.91Å; N896-R899 PolarHBondContact N-O 3.19Å; N896-R899 PolarHBondContact O-N 3.38Å; N896-E901 HydrophobicContact CB-CG 4.48Å; N896-E901 WeakPolarHBondContact CB-OE2 3.19Å; N896-E901 PolarHBondContact ND2-OE2 2.77Å
897I82.3Confident91Very high139 Ų13939.7 Ų39.771%0.71322%0.221SC*.THydrogen-bonded Turntrans57.1-99.3-171-51.7171.5000109.5
898N85.2Confident90.8Very high89 Ų8939.6 Ų39.648%0.47622%0.22SC..THydrogen-bonded Turntrans-11814.5-177.7-68.5-28000112.5F858 L859 Q871 N896F858-N898 WeakPolarHBondContact CE1-O 3.45Å; L859-N898 HydrophobicContact CD1-CB 3.68Å; Q871-N898 PolarHBondContact NE2-O 2.85Å; N896-N898 PolarHBondContact O-N 2.91Å
899R89.8Confident90.4Very high41 Ų4140.5 Ų40.516%0.15522%0.218CC..EExtended strand (participates in β ladder)trans-125.6142.4-176.4-64179.3-59146.115.5111.7F858 Q871 K895 N896 E901F858-R899 HydrophobicContact CD1-CG 3.85Å; F858-R899 HydrophobicContact CE1-CG 3.83Å; Q871-R899 VanDerWaalsContact OE1-CA 3.27Å; K895-R899 CarbonylContact C-O 3.57Å; K895-R899 WeakPolarHBondContact CA-O 3.28Å; N896-R899 PolarHBondContact N-O 3.19Å; N896-R899 PolarHBondContact O-N 3.38Å; R899-E901 HydrophobicContact CB-CG 4.32Å; R899-E901 IonicContact CZ-OE1 2.86Å; R899-E901 IonicContact NE-OE1 3.37Å; R899-E901 IonicContact NH1-OE1 3.65Å; R899-E901 PolarHBondContact NH1-OE1 3.38Å; R899-E901 IonicContact NH2-OE1 2.76Å; R899-E901 PolarHBondContact NH2-OE1 2.92Å
900Y93.9Very high89.4Confident8 Ų844 Ų443%0.03124%0.235CC..EExtended strand (participates in β ladder)trans-91.9121.2170.2-68.2-80.6000109.3Y874 R880 V893 V894 K895 Y934Y874-Y900 VanDerWaalsContact CB-CD1 3.48Å; Y874-Y900 VanDerWaalsContact CB-CG 3.42Å; Y874-Y900 HydrophobicContact CG-CD1 4.28Å; Y874-Y900 HydrophobicContact CG-CG 4.41Å; Y874-Y900 WeakPolarHBondContact O-CE2 3.33Å; Y874-Y900 VanDerWaalsContact O-CZ 3.32Å; R880-Y900 PolarHBondContact NE-OH 2.94Å; R880-Y900 PolarHBondContact NH2-OH 2.86Å; V893-Y900 HydrophobicContact CG1-CD1 4.24Å; V894-Y900 WeakPolarHBondContact O-CA 3.31Å; K895-Y900 HydrophobicContact CB-CD1 4.12Å; K895-Y900 HydrophobicContact CB-CE1 3.78Å; K895-Y900 HydrophobicContact CD-CE1 4.14Å; K895-Y900 HydrophobicContact CG-CD1 4.38Å; K895-Y900 HydrophobicContact CG-CE1 3.95Å; Y900-Y934 HydrophobicContact CD1-CD2 4.41Å; Y900-Y934 HydrophobicContact CD1-CE2 4.27Å; Y900-Y934 HydrophobicContact CE1-CD2 4.28Å; Y900-Y934 AromaticContact CE1-CE2 3.76Å; Y900-Y934 HydrophobicContact CE1-CE2 3.76Å
901E93.7Very high88.1Confident7 Ų746.4 Ų46.43%0.03325%0.25CS..EExtended strand (participates in β ladder)trans-124.6134.8-173.2-62.8-175.5136.200110V893 V894 N896 R899 L918 T921V893-E901 WeakPolarHBondContact CA-O 3.34Å; V894-E901 PolarHBondContact N-O 3.05Å; V894-E901 PolarHBondContact O-N 3.18Å; N896-E901 HydrophobicContact CB-CG 4.48Å; N896-E901 WeakPolarHBondContact CB-OE2 3.19Å; N896-E901 PolarHBondContact ND2-OE2 2.77Å; R899-E901 HydrophobicContact CB-CG 4.32Å; R899-E901 IonicContact CZ-OE1 2.86Å; R899-E901 IonicContact NE-OE1 3.37Å; R899-E901 IonicContact NH1-OE1 3.65Å; R899-E901 PolarHBondContact NH1-OE1 3.38Å; R899-E901 IonicContact NH2-OE1 2.76Å; R899-E901 PolarHBondContact NH2-OE1 2.92Å; E901-L918 HydrophobicContact CB-CD2 4.21Å; E901-L918 WeakPolarHBondContact OE2-CD1 3.39Å; E901-T921 VanDerWaalsContact CD-OG1 3.24Å; E901-T921 HydrophobicContact CG-CG2 4.39Å; E901-T921 WeakPolarHBondContact OE1-CB 3.43Å; E901-T921 WeakPolarHBondContact OE1-CG2 3.4Å; E901-T921 PolarHBondContact OE1-OG1 2.9Å
902R95.8Very high87.4Confident1 Ų146.8 Ų46.80%0.00426%0.261CS..EExtended strand (participates in β ladder)trans-71.2137.7170.8-58.3-174.3-56.6154.24.3109.3L866 V870 A892 V893 L919 D920 F940 S943 P944L866-R902 VanDerWaalsContact CD2-CZ 3.41Å; V870-R902 HydrophobicContact CG1-CG 4.39Å; V870-R902 HydrophobicContact CG2-CG 4.08Å; A892-R902 WeakPolarHBondContact O-CA 3.49Å; V893-R902 HydrophobicContact CG2-CG 4.39Å; R902-L919 HydrophobicContact CB-CB 4.44Å; R902-L919 HydrophobicContact CB-CD1 4.21Å; R902-L919 PolarHBondContact O-N 2.92Å; R902-L919 VanDerWaalsContact O-N 3.11Å; R902-D920 IonicContact CZ-OD1 3.74Å; R902-D920 IonicContact CZ-OD2 2.8Å; R902-D920 IonicContact NE-OD1 3.85Å; R902-D920 IonicContact NE-OD2 3.69Å; R902-D920 PolarHBondContact NE-OD2 2.98Å; R902-D920 IonicContact NH2-OD1 2.82Å; R902-D920 PolarHBondContact NH2-OD1 2.79Å; R902-D920 IonicContact NH2-OD2 3.61Å; R902-D920 PolarHBondContact NH2-OD2 3.46Å; R902-F940 PolarHBondContact NH1-O 3.25Å; R902-S943 PolarHBondContact NH1-O 3.33Å; R902-P944 PolarHBondContact NH2-O 3.4Å
903V95.4Very high87.1Confident0 Ų049 Ų490%027%0.272CS..EExtended strand (participates in β ladder)trans-134.5153.9-178.4-52.20000110.9M891 A892 V894 V916 Q917 L918 L933M891-V903 CarbonylContact C-O 3.39Å; M891-V903 WeakPolarHBondContact CA-O 3.48Å; A892-V903 HydrophobicContact CB-CG2 3.96Å; A892-V903 PolarHBondContact N-O 3.49Å; A892-V903 PolarHBondContact O-N 3.08Å; V894-V903 HydrophobicContact CB-CG1 4.42Å; V894-V903 HydrophobicContact CG1-CG1 4.15Å; V894-V903 HydrophobicContact CG1-CG2 3.97Å; V894-V903 HydrophobicContact CG2-CG1 3.56Å; V903-V916 HydrophobicContact CB-CB 3.83Å; V903-V916 HydrophobicContact CB-CG2 3.87Å; V903-V916 HydrophobicContact CG1-CB 4.48Å; V903-V916 HydrophobicContact CG1-CG2 3.96Å; V903-V916 HydrophobicContact CG2-CB 3.73Å; V903-V916 HydrophobicContact CG2-CG1 4.04Å; V903-V916 HydrophobicContact CG2-CG2 3.93Å; V903-Q917 CarbonylContact C-O 3.53Å; V903-Q917 WeakPolarHBondContact CA-O 3.41Å; V903-Q917 WeakPolarHBondContact CB-O 3.46Å; V903-L918 HydrophobicContact CG1-CD2 3.52Å; V903-L933 HydrophobicContact CG2-CD1 4.41Å
904H93.3Very high86.8Confident38 Ų3849 Ų4918%0.17627%0.272CS..EExtended strand (participates in β ladder)trans-108.1128169.9180-79.7000109.2G889 V906 V916 Q917 L919G889-H904 VanDerWaalsContact CA-CE1 3.45Å; G889-H904 WeakPolarHBondContact CA-CE1 3.19Å; G889-H904 WeakPolarHBondContact CA-NE2 3.46Å; G889-H904 PolarHBondContact O-CD2 2.98Å; G889-H904 PolarHBondContact O-NE2 3.38Å; H904-V906 PolarHBondContact O-N 2.88Å; H904-V916 CarbonylContact O-C 3.5Å; H904-V916 WeakPolarHBondContact O-CA 3.44Å; H904-Q917 PolarHBondContact N-O 2.92Å; H904-Q917 PolarHBondContact O-N 3.32Å; H904-L919 HydrophobicContact CB-CD1 4.34Å; H904-L919 HydrophobicContact CB-CD2 3.93Å; H904-L919 HydrophobicContact CB-CG 4.38Å
905I92.4Very high86.7Confident0 Ų051.1 Ų51.10%028%0.283CS..EExtended strand (participates in β ladder)trans-72119.8179-60.5160.7000108.2P886 V887 G889 E890 A892 V908 V916 L933P886-I905 HydrophobicContact CB-CD1 3.78Å; V887-I905 WeakPolarHBondContact O-CB 3.19Å; V887-I905 WeakPolarHBondContact O-CG2 3.3Å; G889-I905 PolarHBondContact N-O 3.41Å; E890-I905 HydrophobicContact CB-CD1 4.14Å; E890-I905 PolarHBondContact O-N 2.88Å; A892-I905 HydrophobicContact CB-CD1 4.24Å; A892-I905 HydrophobicContact CB-CG1 4.41Å; I905-V908 HydrophobicContact CG2-CG2 4.2Å; I905-V916 HydrophobicContact CG1-CG1 4.29Å; I905-L933 HydrophobicContact CD1-CD2 3.76Å; I905-L933 HydrophobicContact CG1-CD2 3.94Å
906V88.8Confident86.7Confident61 Ų6147.1 Ų47.137%0.3727%0.266SS..EExtended strand (participates in β ladder)trans-90.5-46.7-178.7-1800000110.2H904 L915 Q917H904-V906 PolarHBondContact O-N 2.88Å; V906-L915 HydrophobicContact CB-CD2 4.27Å; V906-L915 HydrophobicContact CB-CG 4.29Å; V906-L915 WeakPolarHBondContact CB-O 3.21Å; V906-L915 HydrophobicContact CG1-CD2 4.14Å; V906-L915 PolarHBondContact N-O 2.75Å; V906-Q917 HydrophobicContact CG2-CB 3.75Å
907S86.5Confident87Confident39 Ų3947.5 Ų47.527%0.27327%0.267SS..EExtended strand (participates in β ladder)trans-155.6153.4177.155.30000110.7L915S907-L915 PolarHBondContact N-O 2.61Å; S907-L915 PolarHBondContact O-N 2.92Å; S907-L915 WeakPolarHBondContact OG-CB 3.45Å
908V84.5Confident87.6Confident67 Ų6741.1 Ų41.141%0.40623%0.234SC..EExtended strand (participates in β ladder)trans-107.1120.9171.9-175.50000106.5P886 P888 I905 V914P886-V908 HydrophobicContact CB-CG2 4.46Å; P886-V908 WeakPolarHBondContact O-CG2 3.39Å; P888-V908 HydrophobicContact CG-CG2 4.24Å; I905-V908 HydrophobicContact CG2-CG2 4.2Å; V908-V914 HydrophobicContact CB-CG1 4.43Å; V908-V914 HydrophobicContact CG1-CG1 4.12Å; V908-V914 HydrophobicContact CG2-CG1 4.18Å
909E79.8Confident88Confident91 Ų9137.2 Ų37.243%0.42521%0.213SC..  trans-92.6153.5179-62.4176.8-177.200109.5N911 M913E909-N911 PolarHBondContact O-N 3.27Å; E909-M913 HydrophobicContact CB-CB 4.36Å; E909-M913 WeakPolarHBondContact CB-O 3.43Å; E909-M913 PolarHBondContact N-O 3.47Å
910S64.8Low88.1Confident119 Ų11935.8 Ų35.883%0.83221%0.208SC*.THydrogen-bonded Turntrans-59.3-18.4-174.147.60000114.7A912S910-A912 PolarHBondContact O-N 3.04Å
911N63.3Low87.8Confident116 Ų11636.2 Ų36.262%0.6221%0.212SC*.THydrogen-bonded Turntrans-100.934.8-169.5-6213.5000113.5E909 M913E909-N911 PolarHBondContact O-N 3.27Å; N911-M913 PolarHBondContact O-N 3.16Å
912A79.4Confident87.7Confident56 Ų5636.1 Ų36.146%0.46321%0.212SC..SBendtrans54.923.4-172.700000114.1S910 K929 T930S910-A912 PolarHBondContact O-N 3.04Å; A912-K929 WeakPolarHBondContact O-CA 3.33Å; A912-T930 WeakPolarHBondContact O-CG2 3.36Å; A912-T930 PolarHBondContact O-N 3.18Å; A912-T930 PolarHBondContact O-OG1 3.47Å
913M88.9Confident87.5Confident47 Ų4737.4 Ų37.423%0.23222%0.22CC..EExtended strand (participates in β ladder)trans-103.2141.9173.5-65.2-61.2-64.900109.1E909 N911 S927 Y928 K929E909-M913 HydrophobicContact CB-CB 4.36Å; E909-M913 WeakPolarHBondContact CB-O 3.43Å; E909-M913 PolarHBondContact N-O 3.47Å; N911-M913 PolarHBondContact O-N 3.16Å; M913-S927 WeakPolarHBondContact CE-OG 3.49Å; M913-Y928 CarbonylContact C-O 3.56Å; M913-Y928 WeakPolarHBondContact CA-O 3.47Å; M913-Y928 VanDerWaalsContact CE-C 3.43Å; M913-Y928 WeakPolarHBondContact CE-O 3.32Å; M913-K929 HydrophobicContact CE-CG 4.48Å; M913-K929 HydrophobicContact SD-CB 4.33Å; M913-K929 HydrophobicContact SD-CG 3.56Å; M913-K929 VanDerWaalsContact SD-CG 3.56Å
914V90.3Very high87.2Confident0 Ų041.3 Ų41.30%024%0.238CC..EExtended strand (participates in β ladder)trans-125126.4178.2-74.70000108.6P886 V908 V916 Y928 T930 L933P886-V914 HydrophobicContact CB-CG1 3.95Å; P886-V914 HydrophobicContact CG-CG1 4.34Å; V908-V914 HydrophobicContact CB-CG1 4.43Å; V908-V914 HydrophobicContact CG1-CG1 4.12Å; V908-V914 HydrophobicContact CG2-CG1 4.18Å; V914-V916 HydrophobicContact CB-CG1 4.27Å; V914-V916 HydrophobicContact CG2-CG1 4.17Å; V914-Y928 WeakPolarHBondContact CG2-O 3.08Å; V914-Y928 PolarHBondContact N-O 3.46Å; V914-Y928 PolarHBondContact O-N 3.44Å; V914-T930 HydrophobicContact CG1-CG2 3.67Å; V914-L933 HydrophobicContact CG2-CD1 3.85Å; V914-L933 HydrophobicContact CG2-CD2 4.29Å
915L92.2Very high87.1Confident44 Ų4442.3 Ų42.323%0.2325%0.249CC..EExtended strand (participates in β ladder)trans-85.5119.4172.1-174.268.8000107.7V906 S907 C925V906-L915 HydrophobicContact CB-CD2 4.27Å; V906-L915 HydrophobicContact CB-CG 4.29Å; V906-L915 WeakPolarHBondContact CB-O 3.21Å; V906-L915 HydrophobicContact CG1-CD2 4.14Å; V906-L915 PolarHBondContact N-O 2.75Å; S907-L915 PolarHBondContact N-O 2.61Å; S907-L915 PolarHBondContact O-N 2.92Å; S907-L915 WeakPolarHBondContact OG-CB 3.45Å; L915-C925 HydrophobicContact CD1-CB 3.85Å; L915-C925 HydrophobicContact CG-CB 4.13Å
916V93.3Very high87Confident0 Ų045.6 Ų45.60%026%0.263CS..EExtended strand (participates in β ladder)trans-125.1142.5-177.4-51.40000110.8V894 V903 H904 I905 V914 C925 F926 Y928 L933V894-V916 HydrophobicContact CG1-CG2 4.42Å; V903-V916 HydrophobicContact CB-CB 3.83Å; V903-V916 HydrophobicContact CB-CG2 3.87Å; V903-V916 HydrophobicContact CG1-CB 4.48Å; V903-V916 HydrophobicContact CG1-CG2 3.96Å; V903-V916 HydrophobicContact CG2-CB 3.73Å; V903-V916 HydrophobicContact CG2-CG1 4.04Å; V903-V916 HydrophobicContact CG2-CG2 3.93Å; H904-V916 CarbonylContact O-C 3.5Å; H904-V916 WeakPolarHBondContact O-CA 3.44Å; I905-V916 HydrophobicContact CG1-CG1 4.29Å; V914-V916 HydrophobicContact CB-CG1 4.27Å; V914-V916 HydrophobicContact CG2-CG1 4.17Å; V916-C925 CarbonylContact O-C 3.58Å; V916-C925 WeakPolarHBondContact O-CA 3.26Å; V916-F926 PolarHBondContact N-O 3.38Å; V916-F926 PolarHBondContact O-N 3.01Å; V916-Y928 HydrophobicContact CG2-CD2 3.57Å; V916-Y928 HydrophobicContact CG2-CE2 3.86Å; V916-L933 HydrophobicContact CG1-CD1 3.78Å
917Q93.8Very high87.1Confident35 Ų3545.5 Ų45.516%0.16427%0.266CS..EExtended strand (participates in β ladder)trans-99.3128.3175.6-177.3173.943.800109.6V903 H904 V906 T923 E924 R998V903-Q917 CarbonylContact C-O 3.53Å; V903-Q917 WeakPolarHBondContact CA-O 3.41Å; V903-Q917 WeakPolarHBondContact CB-O 3.46Å; H904-Q917 PolarHBondContact N-O 2.92Å; H904-Q917 PolarHBondContact O-N 3.32Å; V906-Q917 HydrophobicContact CG2-CB 3.75Å; Q917-T923 PolarHBondContact NE2-O 3.29Å; Q917-E924 WeakPolarHBondContact CA-O 3.4Å; Q917-R998 VanDerWaalsContact OE1-NH1 3.16Å
918L93.9Very high87.4Confident5 Ų544.9 Ų44.93%0.02626%0.258CS..EExtended strand (participates in β ladder)trans-65.7146.3172.8-61.5-172.8000110.5V894 E901 V903 S922 E924 F926V894-L918 HydrophobicContact CG2-CD2 4.47Å; E901-L918 HydrophobicContact CB-CD2 4.21Å; E901-L918 WeakPolarHBondContact OE2-CD1 3.39Å; V903-L918 HydrophobicContact CG1-CD2 3.52Å; L918-S922 CarbonylContact C-O 3.55Å; L918-S922 WeakPolarHBondContact CB-O 3.47Å; L918-E924 PolarHBondContact N-O 3.39Å; L918-F926 HydrophobicContact CD1-CD2 3.93Å; L918-F926 HydrophobicContact CD1-CE2 3.47Å; L918-F926 VanDerWaalsContact CD1-CE2 3.47Å; L918-F926 HydrophobicContact CD1-CZ 4.4Å; L918-F926 HydrophobicContact CD2-CD2 4.4Å; L918-F926 HydrophobicContact CG-CD2 3.83Å; L918-F926 HydrophobicContact CG-CE2 3.8Å
919L93.9Very high87.7Confident6 Ų647.3 Ų47.33%0.03126%0.263CS..SBendtrans-109.3-28.2-176.2-64.5179.5000114.4M891 R902 H904 R945 E946 A947M891-L919 HydrophobicContact CG-CD1 3.76Å; M891-L919 HydrophobicContact SD-CD1 3.71Å; R902-L919 HydrophobicContact CB-CB 4.44Å; R902-L919 HydrophobicContact CB-CD1 4.21Å; R902-L919 PolarHBondContact O-N 2.92Å; R902-L919 VanDerWaalsContact O-N 3.11Å; H904-L919 HydrophobicContact CB-CD1 4.34Å; H904-L919 HydrophobicContact CB-CD2 3.93Å; H904-L919 HydrophobicContact CB-CG 4.38Å; L919-R945 HydrophobicContact CB-CB 4.18Å; L919-R945 HydrophobicContact CD2-CB 4.32Å; L919-R945 WeakPolarHBondContact O-CB 3.08Å; L919-E946 PolarHBondContact O-N 2.82Å; L919-E946 VanDerWaalsContact O-N 3.17Å; L919-A947 WeakPolarHBondContact O-CB 3.35Å; L919-A947 PolarHBondContact O-N 3.37Å
920D92.3Very high88.2Confident11 Ų1145 Ų456%0.05925%0.254CS..SBendtrans-119.2-24.7-166.2-58.9-40.8000114.4L836 R902 E946L836-D920 WeakPolarHBondContact CD1-O 3.34Å; R902-D920 IonicContact CZ-OD1 3.74Å; R902-D920 IonicContact CZ-OD2 2.8Å; R902-D920 IonicContact NE-OD1 3.85Å; R902-D920 IonicContact NE-OD2 3.69Å; R902-D920 PolarHBondContact NE-OD2 2.98Å; R902-D920 IonicContact NH2-OD1 2.82Å; R902-D920 PolarHBondContact NH2-OD1 2.79Å; R902-D920 IonicContact NH2-OD2 3.61Å; R902-D920 PolarHBondContact NH2-OD2 3.46Å; D920-E946 HydrophobicContact CB-CB 4.35Å; D920-E946 PolarHBondContact OD1-N 3.26Å
921T88.6Confident89.3Confident18 Ų1842.6 Ų42.611%0.1124%0.238CC..SBendtrans-117.9-15.5-172.560.20000113.7L836 F861 E901L836-T921 WeakPolarHBondContact CB-O 3.49Å; F861-T921 HydrophobicContact CE1-CG2 3.52Å; F861-T921 HydrophobicContact CZ-CG2 3.65Å; E901-T921 VanDerWaalsContact CD-OG1 3.24Å; E901-T921 HydrophobicContact CG-CG2 4.39Å; E901-T921 WeakPolarHBondContact OE1-CB 3.43Å; E901-T921 WeakPolarHBondContact OE1-CG2 3.4Å; E901-T921 PolarHBondContact OE1-OG1 2.9Å
922S91Very high90.7Very high5 Ų541.3 Ų41.34%0.03523%0.228CC..  trans-164.6164.9-179.4-175.60000107.6Y839 L918 E924Y839-S922 PolarHBondContact OH-OG 3.46Å; L918-S922 CarbonylContact C-O 3.55Å; L918-S922 WeakPolarHBondContact CB-O 3.47Å; S922-E924 WeakPolarHBondContact OG-CB 3.33Å; S922-E924 PolarHBondContact OG-N 3.41Å; S922-E924 PolarHBondContact OG-OE2 2.88Å
923T91.1Very high91.4Very high27 Ų2738.6 Ų38.617%0.16621%0.206CC..SBendtrans-106.38.1168.860.50000112.4Y839 A845 Q917 A947 D949Y839-T923 WeakPolarHBondContact CE2-OG1 3.42Å; Y839-T923 PolarHBondContact OH-N 3.4Å; Y839-T923 PolarHBondContact OH-OG1 2.96Å; Y839-T923 VanDerWaalsContact OH-OG1 3.11Å; A845-T923 HydrophobicContact CB-CG2 4.32Å; Q917-T923 PolarHBondContact NE2-O 3.29Å; T923-A947 HydrophobicContact CG2-CB 4.18Å; T923-D949 HydrophobicContact CG2-CB 4.37Å
924E89.8Confident91.7Very high82 Ų8238.3 Ų38.338%0.38320%0.202SC..  trans-73.2154.3179.3-82172.8150.300113Y839 Q917 L918 S922 F926Y839-E924 HydrophobicContact CD1-CG 4.12Å; Y839-E924 WeakPolarHBondContact CD1-OE1 3.44Å; Y839-E924 HydrophobicContact CE1-CG 3.38Å; Y839-E924 WeakPolarHBondContact CE1-OE1 3.45Å; Y839-E924 PolarHBondContact OH-N 3.18Å; Q917-E924 WeakPolarHBondContact CA-O 3.4Å; L918-E924 PolarHBondContact N-O 3.39Å; S922-E924 WeakPolarHBondContact OG-CB 3.33Å; S922-E924 PolarHBondContact OG-N 3.41Å; S922-E924 PolarHBondContact OG-OE2 2.88Å; E924-F926 HydrophobicContact CB-CD2 4.36Å; E924-F926 HydrophobicContact CB-CE2 3.56Å; E924-F926 HydrophobicContact CB-CZ 3.87Å
925C90.3Very high91.8Very high60 Ų6040 Ų4041%0.40522%0.215SC..EExtended strand (participates in β ladder)trans-99.2138.5171.7-58.80000110.6L915 V916L915-C925 HydrophobicContact CD1-CB 3.85Å; L915-C925 HydrophobicContact CG-CB 4.13Å; V916-C925 CarbonylContact O-C 3.58Å; V916-C925 WeakPolarHBondContact O-CA 3.26Å
926F90.4Very high91.9Very high68 Ų6838.2 Ų38.230%0.29821%0.206SC..EExtended strand (participates in β ladder)trans-130.2146.9177.9-64.7-87000109.5V916 L918 E924 Y928V916-F926 PolarHBondContact N-O 3.38Å; V916-F926 PolarHBondContact O-N 3.01Å; L918-F926 HydrophobicContact CD1-CD2 3.93Å; L918-F926 HydrophobicContact CD1-CE2 3.47Å; L918-F926 VanDerWaalsContact CD1-CE2 3.47Å; L918-F926 HydrophobicContact CD1-CZ 4.4Å; L918-F926 HydrophobicContact CD2-CD2 4.4Å; L918-F926 HydrophobicContact CG-CD2 3.83Å; L918-F926 HydrophobicContact CG-CE2 3.8Å; E924-F926 HydrophobicContact CB-CD2 4.36Å; E924-F926 HydrophobicContact CB-CE2 3.56Å; E924-F926 HydrophobicContact CB-CZ 3.87Å; F926-Y928 HydrophobicContact CB-CD2 4.01Å; F926-Y928 HydrophobicContact CB-CE2 3.46Å; F926-Y928 VanDerWaalsContact CB-CE2 3.46Å; F926-Y928 HydrophobicContact CG-CE2 4.36Å
927S91.9Very high91.9Very high60 Ų6040.3 Ų40.342%0.4222%0.218SC..EExtended strand (participates in β ladder)trans-94.3125.4175-168.60000109.3M913M913-S927 WeakPolarHBondContact CE-OG 3.49Å
928Y91.7Very high91.6Very high26 Ų2644 Ų4410%0.10224%0.236CC..EExtended strand (participates in β ladder)trans-125.7157.4177.6-74.8-89.2000110.3V894 M913 V914 V916 F926 Q932V894-Y928 HydrophobicContact CB-CE1 4.32Å; V894-Y928 HydrophobicContact CB-CE2 4.42Å; V894-Y928 HydrophobicContact CG1-CD2 4.26Å; V894-Y928 HydrophobicContact CG1-CE2 4.41Å; V894-Y928 HydrophobicContact CG1-CG 4.32Å; V894-Y928 HydrophobicContact CG2-CE1 4.41Å; V894-Y928 HydrophobicContact CG2-CE2 4.01Å; M913-Y928 CarbonylContact C-O 3.56Å; M913-Y928 WeakPolarHBondContact CA-O 3.47Å; M913-Y928 VanDerWaalsContact CE-C 3.43Å; M913-Y928 WeakPolarHBondContact CE-O 3.32Å; V914-Y928 WeakPolarHBondContact CG2-O 3.08Å; V914-Y928 PolarHBondContact N-O 3.46Å; V914-Y928 PolarHBondContact O-N 3.44Å; V916-Y928 HydrophobicContact CG2-CD2 3.57Å; V916-Y928 HydrophobicContact CG2-CE2 3.86Å; F926-Y928 HydrophobicContact CB-CD2 4.01Å; F926-Y928 HydrophobicContact CB-CE2 3.46Å; F926-Y928 VanDerWaalsContact CB-CE2 3.46Å; F926-Y928 HydrophobicContact CG-CE2 4.36Å; Y928-Q932 HydrophobicContact CD1-CB 4.33Å
929K91.8Very high91.4Very high118 Ų11848.6 Ų48.651%0.51326%0.259SS..EExtended strand (participates in β ladder)trans-70.9146167.1-65-179.5178.4-173.30109.3A912 M913 S931 Q932A912-K929 WeakPolarHBondContact O-CA 3.33Å; M913-K929 HydrophobicContact CE-CG 4.48Å; M913-K929 HydrophobicContact SD-CB 4.33Å; M913-K929 HydrophobicContact SD-CG 3.56Å; M913-K929 VanDerWaalsContact SD-CG 3.56Å; K929-S931 PolarHBondContact O-N 2.91Å; K929-S931 VanDerWaalsContact O-N 3.15Å; K929-Q932 HydrophobicContact CB-CG 4.12Å; K929-Q932 WeakPolarHBondContact O-CB 3.45Å; K929-Q932 PolarHBondContact O-N 3.49Å
930T89.1Confident91.3Very high41 Ų4148.5 Ų48.525%0.25226%0.258SS..G310 helixtrans-53.5-34.7173.249.10000112.2P886 A912 V914 Q932 L933P886-T930 HydrophobicContact CG-CG2 4.17Å; A912-T930 WeakPolarHBondContact O-CG2 3.36Å; A912-T930 PolarHBondContact O-N 3.18Å; A912-T930 PolarHBondContact O-OG1 3.47Å; V914-T930 HydrophobicContact CG1-CG2 3.67Å; T930-Q932 PolarHBondContact O-N 3.13Å; T930-L933 VanDerWaalsContact O-CB 3.32Å; T930-L933 WeakPolarHBondContact O-CB 3.44Å; T930-L933 PolarHBondContact O-N 3.03Å; T930-L933 VanDerWaalsContact O-N 3.12Å
931S89.3Confident91.2Very high70 Ų7050.4 Ų50.449%0.4927%0.266SS..G310 helixtrans-68.2-13.4176.560.70000115.2K929K929-S931 PolarHBondContact O-N 2.91Å; K929-S931 VanDerWaalsContact O-N 3.15Å
932Q91.4Very high91.1Very high88 Ų8856.1 Ų56.141%0.41130%0.296SS..G310 helixtrans-96.2-0.3176.3-62.8172.6-42.100112.2Y928 K929 T930Y928-Q932 HydrophobicContact CD1-CB 4.33Å; K929-Q932 HydrophobicContact CB-CG 4.12Å; K929-Q932 WeakPolarHBondContact O-CB 3.45Å; K929-Q932 PolarHBondContact O-N 3.49Å; T930-Q932 PolarHBondContact O-N 3.13Å
933L94.1Very high91Very high0 Ų057.1 Ų57.10%030%0.303CS..EExtended strand (participates in β ladder)trans-95.2128.1179.4-134.978.8000110M882 H883 P886 A892 V894 V903 I905 V914 V916 T930M882-L933 WeakPolarHBondContact CA-O 3.33Å; H883-L933 HydrophobicContact CB-CB 4.04Å; H883-L933 HydrophobicContact CB-CD2 4.27Å; H883-L933 PolarHBondContact N-O 3.32Å; P886-L933 HydrophobicContact CB-CD2 4.01Å; P886-L933 HydrophobicContact CG-CD2 4.02Å; A892-L933 HydrophobicContact CB-CD1 4.48Å; A892-L933 HydrophobicContact CB-CD2 3.54Å; A892-L933 HydrophobicContact CB-CG 3.71Å; V894-L933 HydrophobicContact CG1-CD1 3.32Å; V894-L933 HydrophobicContact CG1-CG 4.31Å; V903-L933 HydrophobicContact CG2-CD1 4.41Å; I905-L933 HydrophobicContact CD1-CD2 3.76Å; I905-L933 HydrophobicContact CG1-CD2 3.94Å; V914-L933 HydrophobicContact CG2-CD1 3.85Å; V914-L933 HydrophobicContact CG2-CD2 4.29Å; V916-L933 HydrophobicContact CG1-CD1 3.78Å; T930-L933 VanDerWaalsContact O-CB 3.32Å; T930-L933 WeakPolarHBondContact O-CB 3.44Å; T930-L933 PolarHBondContact O-N 3.03Å; T930-L933 VanDerWaalsContact O-N 3.12Å
934Y95.2Very high91.1Very high40 Ų4058.5 Ų58.516%0.15731%0.313CS..EExtended strand (participates in β ladder)trans-105.7146.6174.2-54-63.2000110.8R880 H881 A892 V893 K895 Y900 C936R880-Y934 HydrophobicContact CB-CD1 3.99Å; R880-Y934 HydrophobicContact CB-CE1 3.77Å; R880-Y934 HydrophobicContact CG-CE1 4.48Å; H881-Y934 CarbonylContact O-C 3.48Å; H881-Y934 VanDerWaalsContact O-CA 3.23Å; H881-Y934 WeakPolarHBondContact O-CA 3.39Å; A892-Y934 WeakPolarHBondContact CA-O 3.4Å; A892-Y934 WeakPolarHBondContact CB-O 3.12Å; V893-Y934 PolarHBondContact N-O 2.88Å; V893-Y934 PolarHBondContact O-N 3.26Å; K895-Y934 HydrophobicContact CB-CE2 4.36Å; Y900-Y934 HydrophobicContact CD1-CD2 4.41Å; Y900-Y934 HydrophobicContact CD1-CE2 4.27Å; Y900-Y934 HydrophobicContact CE1-CD2 4.28Å; Y900-Y934 AromaticContact CE1-CE2 3.76Å; Y900-Y934 HydrophobicContact CE1-CE2 3.76Å; Y934-C936 PolarHBondContact O-N 2.97Å
935S94.1Very high91.2Very high37 Ų3756.5 Ų56.526%0.25930%0.302SS..EExtended strand (participates in β ladder)trans-62.7127172.7-60.80000110.1Y874 H881Y874-S935 PolarHBondContact OH-O 2.95Å; H881-S935 PolarHBondContact O-N 2.93Å
936C94.4Very high91.4Very high6 Ų654 Ų544%0.04128%0.284CS..PPolyproline II helixtrans-73.6126.8172.1-166.40000108.9Y874 M891 V893 Y934 K941Y874-C936 WeakPolarHBondContact OH-CA 3.35Å; M891-C936 HydrophobicContact CB-CB 4.36Å; M891-C936 VanDerWaalsContact O-CB 3.23Å; M891-C936 WeakPolarHBondContact O-CB 3.3Å; V893-C936 HydrophobicContact CG2-CB 4.19Å; Y934-C936 PolarHBondContact O-N 2.97Å; C936-K941 HydrophobicContact CB-CG 4.08Å; C936-K941 WeakPolarHBondContact O-CE 3.37Å
937V92.4Very high91.6Very high43 Ų4350.9 Ų50.926%0.26127%0.27SS..PPolyproline II helixtrans-75.7147.3175.3-68.40000110.9Y874 I939 F940 K941Y874-V937 PolarHBondContact OH-N 2.8Å; Y874-V937 VanDerWaalsContact OH-N 3.15Å; V937-I939 HydrophobicContact CB-CG1 4.24Å; V937-I939 HydrophobicContact CG2-CD1 3.99Å; V937-I939 HydrophobicContact CG2-CG1 3.5Å; V937-I939 VanDerWaalsContact CG2-CG1 3.5Å; V937-I939 PolarHBondContact O-N 2.82Å; V937-I939 VanDerWaalsContact O-N 3.11Å; V937-F940 HydrophobicContact CG2-CD2 3.21Å; V937-F940 HydrophobicContact CG2-CE2 3.44Å; V937-F940 VanDerWaalsContact CG2-CE2 3.44Å; V937-F940 HydrophobicContact CG2-CG 4.06Å; V937-F940 HydrophobicContact CG2-CZ 4.44Å; V937-F940 PolarHBondContact O-N 2.9Å; V937-K941 PolarHBondContact O-N 3.05Å
938E88.3Confident91.8Very high113 Ų11348 Ų4853%0.52825%0.25SS..Hα-helixtrans-53-38.2-172.7-67.4-54.9139.200113.6F940 K941 D942E938-F940 PolarHBondContact O-N 2.93Å; E938-K941 PolarHBondContact O-N 3.42Å; E938-K941 WeakPolarHBondContact OE1-CE 3.42Å; E938-K941 IonicContact OE1-NZ 2.7Å; E938-K941 PolarHBondContact OE1-NZ 2.86Å; E938-D942 PolarHBondContact O-N 2.77Å
939I88.5Confident92Very high101 Ų10147.5 Ų47.552%0.51825%0.25SC..Hα-helixtrans-55.3-22.617760.6167.4000114.1V937V937-I939 HydrophobicContact CB-CG1 4.24Å; V937-I939 HydrophobicContact CG2-CD1 3.99Å; V937-I939 HydrophobicContact CG2-CG1 3.5Å; V937-I939 VanDerWaalsContact CG2-CG1 3.5Å; V937-I939 PolarHBondContact O-N 2.82Å; V937-I939 VanDerWaalsContact O-N 3.11Å
940F92.6Very high92.2Very high4 Ų442 Ų422%0.01823%0.226CC..Hα-helixtrans-105.1-15.8178.1-57.8-38.9000113.1L866 R869 V870 H873 Y874 R902 V937 E938L866-F940 HydrophobicContact CD1-CD1 3.94Å; R869-F940 HydrophobicContact CB-CE1 3.97Å; R869-F940 HydrophobicContact CB-CZ 4.43Å; V870-F940 HydrophobicContact CG2-CB 4.42Å; V870-F940 HydrophobicContact CG2-CD1 3.84Å; V870-F940 HydrophobicContact CG2-CD2 3.99Å; V870-F940 HydrophobicContact CG2-CE1 4.05Å; V870-F940 HydrophobicContact CG2-CE2 4.21Å; V870-F940 HydrophobicContact CG2-CG 3.83Å; V870-F940 HydrophobicContact CG2-CZ 4.23Å; H873-F940 HydrophobicContact CB-CE2 3.78Å; H873-F940 HydrophobicContact CB-CZ 3.75Å; H873-F940 AromaticContact CD2-CE2 3.85Å; H873-F940 AromaticContact CG-CE2 3.74Å; Y874-F940 HydrophobicContact CD2-CE2 4.39Å; Y874-F940 AromaticContact CE2-CD2 3.87Å; Y874-F940 HydrophobicContact CE2-CD2 3.87Å; Y874-F940 AromaticContact CE2-CE2 3.8Å; Y874-F940 HydrophobicContact CE2-CE2 3.8Å; R902-F940 PolarHBondContact NH1-O 3.25Å; V937-F940 HydrophobicContact CG2-CD2 3.21Å; V937-F940 HydrophobicContact CG2-CE2 3.44Å; V937-F940 VanDerWaalsContact CG2-CE2 3.44Å; V937-F940 HydrophobicContact CG2-CG 4.06Å; V937-F940 HydrophobicContact CG2-CZ 4.44Å; V937-F940 PolarHBondContact O-N 2.9Å; E938-F940 PolarHBondContact O-N 2.93Å
941K89Confident92.6Very high51 Ų5142.2 Ų42.222%0.22222%0.222CC..Hα-helixtrans-73-35175.8-67.7-170.2-169.71670112M891 C936 V937 E938 S943M891-K941 HydrophobicContact CB-CG 4.46Å; M891-K941 HydrophobicContact CE-CB 4.28Å; M891-K941 VanDerWaalsContact CE-O 3.26Å; M891-K941 WeakPolarHBondContact CE-O 3.48Å; C936-K941 HydrophobicContact CB-CG 4.08Å; C936-K941 WeakPolarHBondContact O-CE 3.37Å; V937-K941 PolarHBondContact O-N 3.05Å; E938-K941 PolarHBondContact O-N 3.42Å; E938-K941 WeakPolarHBondContact OE1-CE 3.42Å; E938-K941 IonicContact OE1-NZ 2.7Å; E938-K941 PolarHBondContact OE1-NZ 2.86Å; K941-S943 PolarHBondContact O-N 2.89Å
942D86.4Confident92.9Very high138 Ų13839.1 Ų39.174%0.73820%0.2SC*.SBendtrans-71.2-14.7-178.8-66.4-24.1000113.8E938E938-D942 PolarHBondContact O-N 2.77Å
943S89.9Confident93.1Very high27 Ų2736 Ų3619%0.18919%0.186CC..SBendtrans-83.2136.3-177.5-62.70000111.5L866 R902 K941L866-S943 VanDerWaalsContact CD2-CB 3.49Å; R902-S943 PolarHBondContact NH1-O 3.33Å; K941-S943 PolarHBondContact O-N 2.89Å
944P92.1Very high93.1Very high56 Ų5636 Ų3636%0.36419%0.186SC..PPolyproline II helixtrans-63.7162.1177.629-35.7000111.2F852 R902F852-P944 HydrophobicContact CE1-CG 3.96Å; F852-P944 HydrophobicContact CZ-CG 4.06Å; R902-P944 PolarHBondContact NH2-O 3.4Å
945R92.8Very high93.1Very high40 Ų4034.1 Ų34.115%0.15118%0.179CC..PPolyproline II helixtrans-69.2143.4171.665.5-177.368-153-2.6110H824 Y825 L919H824-R945 WeakPolarHBondContact NE2-CG 3.48Å; H824-R945 PolarHBondContact NE2-O 2.84Å; Y825-R945 HydrophobicContact CE2-CG 4.4Å; L919-R945 HydrophobicContact CB-CB 4.18Å; L919-R945 HydrophobicContact CD2-CB 4.32Å; L919-R945 WeakPolarHBondContact O-CB 3.08Å
946E94.2Very high93Very high7 Ų732.3 Ų32.33%0.03317%0.166CC..  trans-101.3-24.6-179.8-60.2-172.1178.700114.2R847 F852 S864 L866 L919 D920R847-E946 WeakPolarHBondContact CD-OE2 3.45Å; R847-E946 HydrophobicContact CG-CB 4.28Å; R847-E946 IonicContact NH1-OE2 3.97Å; R847-E946 PolarHBondContact NH1-OE2 3Å; F852-E946 HydrophobicContact CB-CG 4.33Å; F852-E946 HydrophobicContact CD1-CG 3.84Å; F852-E946 HydrophobicContact CD2-CB 4.45Å; F852-E946 HydrophobicContact CD2-CG 4.48Å; F852-E946 HydrophobicContact CE1-CG 4.28Å; F852-E946 HydrophobicContact CG-CB 4.3Å; F852-E946 HydrophobicContact CG-CG 3.95Å; S864-E946 WeakPolarHBondContact CB-OE1 3.46Å; S864-E946 WeakPolarHBondContact CB-OE2 3.32Å; S864-E946 PolarHBondContact OG-OE1 2.77Å; S864-E946 PolarHBondContact OG-OE2 2.84Å; L866-E946 WeakPolarHBondContact CB-OE1 3.27Å; L919-E946 PolarHBondContact O-N 2.82Å; L919-E946 VanDerWaalsContact O-N 3.17Å; D920-E946 HydrophobicContact CB-CB 4.35Å; D920-E946 PolarHBondContact OD1-N 3.26Å
947A94.6Very high92.7Very high2 Ų232.4 Ų32.42%0.01717%0.167CC..  trans-86.7125.5176.400000110.6L836 L919 T923L836-A947 HydrophobicContact CD1-CB 3.86Å; L919-A947 WeakPolarHBondContact O-CB 3.35Å; L919-A947 PolarHBondContact O-N 3.37Å; T923-A947 HydrophobicContact CG2-CB 4.18Å
948M95.6Very high92.2Very high0 Ų033.7 Ų33.70%017%0.17CC..EExtended strand (participates in β ladder)trans-119138.7179.8-57-177.817800110.2H824 Y825 A845 V846 L848 F852 L950 I1000H824-M948 VanDerWaalsContact CD2-CE 3.5Å; H824-M948 WeakPolarHBondContact CD2-CE 3.49Å; Y825-M948 HydrophobicContact CD1-SD 4.41Å; Y825-M948 HydrophobicContact CD2-CE 3.88Å; Y825-M948 HydrophobicContact CD2-CG 4.49Å; Y825-M948 HydrophobicContact CD2-SD 4.18Å; Y825-M948 HydrophobicContact CE1-CB 4.07Å; Y825-M948 HydrophobicContact CE1-CG 4.07Å; Y825-M948 HydrophobicContact CE1-SD 4.37Å; Y825-M948 HydrophobicContact CE2-CE 3.96Å; Y825-M948 HydrophobicContact CE2-CG 3.87Å; Y825-M948 HydrophobicContact CE2-SD 4.15Å; Y825-M948 HydrophobicContact CG-CE 4.49Å; Y825-M948 HydrophobicContact CG-SD 4.32Å; A845-M948 WeakPolarHBondContact CA-O 3.33Å; V846-M948 HydrophobicContact CG2-CB 4.25Å; V846-M948 PolarHBondContact N-O 2.75Å; V846-M948 PolarHBondContact O-N 3.44Å; L848-M948 HydrophobicContact CD1-CE 3.71Å; L848-M948 HydrophobicContact CD1-SD 3.55Å; L848-M948 VanDerWaalsContact CD1-SD 3.55Å; L848-M948 HydrophobicContact CD2-SD 4.3Å; L848-M948 HydrophobicContact CG-CE 4.08Å; L848-M948 HydrophobicContact CG-SD 3.65Å; F852-M948 HydrophobicContact CE2-CE 3.89Å; M948-L950 PolarHBondContact O-N 2.81Å; M948-I1000 HydrophobicContact CB-CD1 4.05Å; M948-I1000 HydrophobicContact CG-CD1 4.47Å; M948-I1000 HydrophobicContact SD-CD1 3.67Å
949D95.8Very high92Very high16 Ų1630 Ų309%0.08616%0.157CC..EExtended strand (participates in β ladder)trans-77.4120.7171.7-1758.5000108.6T923 R951 T999 I1000T923-D949 HydrophobicContact CG2-CB 4.37Å; D949-R951 IonicContact OD1-NE 3.46Å; D949-R951 PolarHBondContact OD1-NE 2.88Å; D949-R951 IonicContact OD2-CZ 3.38Å; D949-R951 IonicContact OD2-NE 3.97Å; D949-R951 PolarHBondContact OD2-NE 2.87Å; D949-R951 IonicContact OD2-NH2 2.77Å; D949-R951 PolarHBondContact OD2-NH2 3.29Å; D949-T999 WeakPolarHBondContact O-CA 3.37Å; D949-I1000 PolarHBondContact O-N 3.43Å
950L97.3Very high91.9Very high1 Ų125.3 Ų25.31%0.00513%0.132CC..EExtended strand (participates in β ladder)trans-121127.3178.9-177.8145.9000109.7I831 F833 L844 V846 M948 I1000 V1002 I1005I831-L950 HydrophobicContact CD1-CD1 3.66Å; F833-L950 HydrophobicContact CD1-CD1 4.35Å; F833-L950 HydrophobicContact CE1-CD1 3.97Å; F833-L950 HydrophobicContact CZ-CD1 4.08Å; F833-L950 HydrophobicContact CZ-CD2 4.42Å; L844-L950 HydrophobicContact CD1-CD2 4.25Å; L844-L950 PolarHBondContact N-O 3.34Å; L844-L950 PolarHBondContact O-N 2.88Å; V846-L950 HydrophobicContact CG1-CB 3.99Å; V846-L950 HydrophobicContact CG1-CD1 4.48Å; V846-L950 HydrophobicContact CG2-CB 3.72Å; V846-L950 HydrophobicContact CG2-CD1 4.01Å; V846-L950 HydrophobicContact CG2-CG 4.49Å; M948-L950 PolarHBondContact O-N 2.81Å; L950-I1000 WeakPolarHBondContact CA-O 3.39Å; L950-I1000 HydrophobicContact CD1-CG2 4.47Å; L950-V1002 HydrophobicContact CD1-CG1 4.12Å; L950-V1002 HydrophobicContact CD2-CG2 3.89Å; L950-V1002 HydrophobicContact CG-CG1 4.34Å; L950-V1002 HydrophobicContact CG-CG2 4.35Å; L950-I1005 HydrophobicContact CD2-CD1 3.37Å; L950-I1005 HydrophobicContact CD2-CG1 4.06Å
951R96.5Very high91.5Very high46 Ų4628.7 Ų28.717%0.17415%0.151CC..EExtended strand (participates in β ladder)trans-128.3141-175.1-59.7-170.1-174.2-162.14.2112.9A842 A843 D949 L953 T999 I1000 F1001 V1002A842-R951 CarbonylContact O-C 3.54Å; A842-R951 VanDerWaalsContact O-CA 3.23Å; A842-R951 WeakPolarHBondContact O-CA 3.24Å; A843-R951 HydrophobicContact CB-CG 4.14Å; D949-R951 IonicContact OD1-NE 3.46Å; D949-R951 PolarHBondContact OD1-NE 2.88Å; D949-R951 IonicContact OD2-CZ 3.38Å; D949-R951 IonicContact OD2-NE 3.97Å; D949-R951 PolarHBondContact OD2-NE 2.87Å; D949-R951 IonicContact OD2-NH2 2.77Å; D949-R951 PolarHBondContact OD2-NH2 3.29Å; R951-L953 PolarHBondContact O-N 2.78Å; R951-T999 HydrophobicContact CB-CG2 4.26Å; R951-T999 HydrophobicContact CG-CG2 3.76Å; R951-I1000 PolarHBondContact N-O 3.4Å; R951-F1001 HydrophobicContact CB-CD1 4.18Å; R951-F1001 HydrophobicContact CB-CE1 4.22Å; R951-F1001 WeakPolarHBondContact O-CA 3.33Å; R951-V1002 PolarHBondContact O-N 3.25Å
952I96.8Very high91.5Very high6 Ų627 Ų273%0.03114%0.143CC..EExtended strand (participates in β ladder)trans-79.7117.6170-58.8179.9000108.2A842 G954 L955 V1002 R1003 I1005 L1013 L1014A842-I952 PolarHBondContact O-N 3.35Å; I952-G954 PolarHBondContact O-N 2.93Å; I952-L955 HydrophobicContact CB-CB 4.03Å; I952-L955 HydrophobicContact CB-CD2 4.04Å; I952-L955 HydrophobicContact CD1-CD2 3.91Å; I952-L955 HydrophobicContact CG2-CB 3.75Å; I952-L955 HydrophobicContact CG2-CD2 3.95Å; I952-L955 HydrophobicContact CG2-CG 4.49Å; I952-L955 PolarHBondContact O-N 3.1Å; I952-V1002 CarbonylContact C-O 3.58Å; I952-V1002 WeakPolarHBondContact CA-O 3.5Å; I952-V1002 HydrophobicContact CG1-CG2 4.4Å; I952-R1003 WeakPolarHBondContact CG2-O 3.15Å; I952-I1005 HydrophobicContact CD1-CD1 4.38Å; I952-I1005 HydrophobicContact CD1-CG1 4.43Å; I952-I1005 HydrophobicContact CG1-CD1 4.27Å; I952-I1005 HydrophobicContact CG1-CG1 4.34Å; I952-L1013 HydrophobicContact CD1-CD2 3.96Å; I952-L1013 HydrophobicContact CD1-CG 4.2Å; I952-L1014 HydrophobicContact CG2-CD1 4.25Å
953L95.6Very high91.5Very high21 Ų2126.4 Ų26.411%0.1114%0.139CC..THydrogen-bonded Turntrans-59.6126.6-175.2-175.670.7000111.4R951 L955 F1001 V1002 C1029 Q1030 L1033R951-L953 PolarHBondContact O-N 2.78Å; L953-L955 PolarHBondContact O-N 2.95Å; L953-L955 VanDerWaalsContact O-N 3.12Å; L953-F1001 HydrophobicContact CD1-CB 4.3Å; L953-F1001 HydrophobicContact CD1-CD1 3.95Å; L953-F1001 HydrophobicContact CD1-CG 4.31Å; L953-V1002 WeakPolarHBondContact CB-O 3.48Å; L953-V1002 PolarHBondContact N-O 3.48Å; L953-C1029 HydrophobicContact CD1-CB 4.17Å; L953-C1029 HydrophobicContact CG-CB 4.33Å; L953-Q1030 HydrophobicContact CD2-CB 4.08Å; L953-L1033 HydrophobicContact CD1-CD1 3.68Å
954G93.4Very high91.4Very high1 Ų126.4 Ų26.41%0.0114%0.135CC..THydrogen-bonded Turntrans71.7-4.4175.600000115.9I952 Q956 Q1025 D1026I952-G954 PolarHBondContact O-N 2.93Å; G954-Q956 PolarHBondContact O-N 3.2Å; G954-Q1025 WeakPolarHBondContact O-CA 3.5Å; G954-D1026 PolarHBondContact O-N 3.15Å
955L95.2Very high90.7Very high0 Ų026 Ų260%013%0.132CC..EExtended strand (participates in β ladder)trans-78.8114.2-177.7-178.162000111A842 I952 L953 W964 L1014 V1017A842-L955 HydrophobicContact CB-CB 3.99Å; A842-L955 HydrophobicContact CB-CD2 3.93Å; A842-L955 HydrophobicContact CB-CG 3.95Å; A842-L955 VanDerWaalsContact CB-O 3.29Å; A842-L955 WeakPolarHBondContact CB-O 3.49Å; I952-L955 HydrophobicContact CB-CB 4.03Å; I952-L955 HydrophobicContact CB-CD2 4.04Å; I952-L955 HydrophobicContact CD1-CD2 3.91Å; I952-L955 HydrophobicContact CG2-CB 3.75Å; I952-L955 HydrophobicContact CG2-CD2 3.95Å; I952-L955 HydrophobicContact CG2-CG 4.49Å; I952-L955 PolarHBondContact O-N 3.1Å; L953-L955 PolarHBondContact O-N 2.95Å; L953-L955 VanDerWaalsContact O-N 3.12Å; L955-W964 HydrophobicContact CD1-CZ2 4.44Å; L955-W964 HydrophobicContact CG-CZ2 4.08Å; L955-L1014 HydrophobicContact CD1-CD1 3.82Å; L955-L1014 HydrophobicContact CD2-CD1 3.9Å; L955-L1014 HydrophobicContact CG-CD1 4.28Å; L955-V1017 HydrophobicContact CD1-CG1 4.42Å; L955-V1017 HydrophobicContact CD2-CG1 4.22Å
956Q91.7Very high90.1Very high0 Ų028.6 Ų28.60%015%0.149CC..EExtended strand (participates in β ladder)trans-137.9154-17761.1-171.3-30.200111.3F800 G954 S1023 H1024F800-Q956 HydrophobicContact CE1-CB 3.97Å; F800-Q956 HydrophobicContact CZ-CB 4.15Å; G954-Q956 PolarHBondContact O-N 3.2Å; Q956-S1023 CarbonylContact O-C 3.21Å; Q956-S1023 VanDerWaalsContact O-CA 3.3Å; Q956-S1023 WeakPolarHBondContact O-CA 3.47Å; Q956-S1023 WeakPolarHBondContact O-CB 3.36Å; Q956-H1024 HydrophobicContact CG-CB 4.49Å; Q956-H1024 WeakPolarHBondContact CG-O 3.24Å; Q956-H1024 PolarHBondContact N-O 3.47Å; Q956-H1024 PolarHBondContact NE2-CD2 3.42Å; Q956-H1024 PolarHBondContact O-N 3.24Å
957P88.8Confident89.1Confident8 Ų829.4 Ų29.45%0.05215%0.153CC..EExtended strand (participates in β ladder)trans-71.3159172.831.3-30.6000109.9S959 R962 W964P957-S959 PolarHBondContact O-N 3.37Å; P957-R962 VanDerWaalsContact CG-C 3.47Å; P957-W964 HydrophobicContact CB-CD2 3.95Å; P957-W964 HydrophobicContact CB-CE3 4.04Å; P957-W964 HydrophobicContact CB-CG 4.45Å; P957-W964 HydrophobicContact CB-CZ2 4.45Å; P957-W964 HydrophobicContact CB-CZ3 4.37Å; P957-W964 HydrophobicContact CG-CD2 4.14Å; P957-W964 HydrophobicContact CG-CG 4.21Å
958E81.1Confident88.5Confident69 Ų6929.3 Ų29.332%0.32215%0.153SC..SBendtrans-73.857.2174.7-71.6-176.7167.400112.4M761 R1022M761-E958 HydrophobicContact CE-CB 3.99Å; M761-E958 HydrophobicContact CE-CG 4.31Å; E958-R1022 HydrophobicContact CB-CB 4.25Å; E958-R1022 HydrophobicContact CG-CB 4.28Å; E958-R1022 PolarHBondContact N-O 3.26Å; E958-R1022 WeakPolarHBondContact OE2-CB 3.42Å
959S84.2Confident88.2Confident36 Ų3632.9 Ų32.925%0.25217%0.166SC..SBendtrans-143.9148.8176.270.50000110.8P957 D961 R962P957-S959 PolarHBondContact O-N 3.37Å; S959-D961 VanDerWaalsContact C-N 3.3Å; S959-D961 PolarHBondContact O-N 2.82Å; S959-R962 PolarHBondContact O-N 2.7Å; S959-R962 PolarHBondContact OG-N 2.78Å
960L86.9Confident87.6Confident2 Ų234.9 Ų34.91%0.0118%0.177CC..THydrogen-bonded Turntrans-68.6-30.5177.5-68.2-171.9000112.9W754 C757 D758 M761 L772 L804 R962W754-L960 HydrophobicContact CD2-CD1 3.9Å; W754-L960 HydrophobicContact CG-CD1 4.23Å; W754-L960 HydrophobicContact CH2-CD1 4.44Å; W754-L960 HydrophobicContact CZ2-CB 3.97Å; W754-L960 HydrophobicContact CZ2-CD1 3.84Å; C757-L960 HydrophobicContact CB-CD1 3.86Å; C757-L960 HydrophobicContact CB-CD2 4.16Å; D758-L960 HydrophobicContact CB-CD1 3.79Å; D758-L960 HydrophobicContact CB-CG 4.49Å; M761-L960 HydrophobicContact CG-CD2 4.21Å; L772-L960 HydrophobicContact CD2-CD2 3.59Å; L804-L960 HydrophobicContact CD1-CD2 4.38Å; L960-R962 PolarHBondContact O-N 3.32Å
961D84.4Confident86.9Confident76 Ų7636.5 Ų36.541%0.40619%0.185SC..THydrogen-bonded Turntrans-72.5-16.3177.6-60.6-39.7000112.1Q796 S959 I963Q796-D961 VanDerWaalsContact NE2-C 3.35Å; Q796-D961 PolarHBondContact NE2-O 2.82Å; S959-D961 VanDerWaalsContact C-N 3.3Å; S959-D961 PolarHBondContact O-N 2.82Å; D961-I963 HydrophobicContact CB-CD1 4.05Å; D961-I963 HydrophobicContact CB-CG1 4.06Å; D961-I963 WeakPolarHBondContact O-CG1 3.36Å; D961-I963 PolarHBondContact O-N 2.8Å
962R88.9Confident86.5Confident16 Ų1634.3 Ų34.36%0.0618%0.177CC..  trans56.331.2-179.4-59.6175.1169.5162.3-13.4113.4F800 D802 P957 S959 L960F800-R962 VanDerWaalsContact CD2-CD 3.47Å; F800-R962 HydrophobicContact CE2-CB 4.11Å; F800-R962 VanDerWaalsContact CE2-CD 3.47Å; F800-R962 HydrophobicContact CE2-CG 4.39Å; D802-R962 PolarHBondContact O-NH1 3.26Å; D802-R962 IonicContact OD1-CZ 3.48Å; D802-R962 IonicContact OD1-NH1 3.04Å; D802-R962 PolarHBondContact OD1-NH1 2.74Å; D802-R962 IonicContact OD1-NH2 3.84Å; D802-R962 PolarHBondContact OD1-NH2 2.95Å; D802-R962 IonicContact OD2-NH2 2.7Å; D802-R962 PolarHBondContact OD2-NH2 3.2Å; P957-R962 VanDerWaalsContact CG-C 3.47Å; S959-R962 PolarHBondContact O-N 2.7Å; S959-R962 PolarHBondContact OG-N 2.78Å; L960-R962 PolarHBondContact O-N 3.32Å
963I86.2Confident86.1Confident125 Ų12539.2 Ų39.264%0.64120%0.195SC*.PPolyproline II helixtrans-96.7122.5178.7-58.9174.8000108.6D961D961-I963 HydrophobicContact CB-CD1 4.05Å; D961-I963 HydrophobicContact CB-CG1 4.06Å; D961-I963 WeakPolarHBondContact O-CG1 3.36Å; D961-I963 PolarHBondContact O-N 2.8Å
964W86.5Confident85.5Confident27 Ų2745 Ų4510%0.10222%0.219CC..PPolyproline II helixtrans-77.5139.5172.6-71.696.9000110.4P841 A842 L955 P957 A968 V1017 F1021 S1023P841-W964 HydrophobicContact CB-CD2 4.19Å; P841-W964 HydrophobicContact CB-CE3 4.14Å; P841-W964 HydrophobicContact CB-CH2 4.08Å; P841-W964 HydrophobicContact CB-CZ2 4.18Å; P841-W964 HydrophobicContact CB-CZ3 4.07Å; P841-W964 HydrophobicContact CG-CD2 3.81Å; P841-W964 HydrophobicContact CG-CE3 3.6Å; P841-W964 HydrophobicContact CG-CG 4.31Å; P841-W964 HydrophobicContact CG-CH2 4.4Å; P841-W964 HydrophobicContact CG-CZ3 3.91Å; A842-W964 HydrophobicContact CB-CZ2 4.43Å; L955-W964 HydrophobicContact CD1-CZ2 4.44Å; L955-W964 HydrophobicContact CG-CZ2 4.08Å; P957-W964 HydrophobicContact CB-CD2 3.95Å; P957-W964 HydrophobicContact CB-CE3 4.04Å; P957-W964 HydrophobicContact CB-CG 4.45Å; P957-W964 HydrophobicContact CB-CZ2 4.45Å; P957-W964 HydrophobicContact CB-CZ3 4.37Å; P957-W964 HydrophobicContact CG-CD2 4.14Å; P957-W964 HydrophobicContact CG-CG 4.21Å; W964-A968 HydrophobicContact CE3-CB 4.28Å; W964-V1017 HydrophobicContact CH2-CG1 3.64Å; W964-V1017 HydrophobicContact CZ3-CG1 4.11Å; W964-F1021 HydrophobicContact CZ3-CB 4.01Å; W964-F1021 HydrophobicContact CZ3-CG 4.47Å; W964-S1023 VanDerWaalsContact CH2-CB 3.46Å
965P79.2Confident85Confident47 Ų4746.7 Ų46.731%0.30523%0.228SC..PPolyproline II helixtrans-72.2150.1174.732.9-35.8000111D967 A968 R969P965-D967 WeakPolarHBondContact CB-OD1 3.46Å; P965-D967 VanDerWaalsContact CG-OD1 3.23Å; P965-D967 WeakPolarHBondContact CG-OD1 3.44Å; P965-D967 PolarHBondContact O-N 3.08Å; P965-A968 HydrophobicContact CG-CB 3.9Å; P965-A968 WeakPolarHBondContact O-CB 3.26Å; P965-A968 PolarHBondContact O-N 3.28Å; P965-A968 VanDerWaalsContact O-N 3.14Å; P965-R969 PolarHBondContact O-N 3.46Å
966D78.7Confident84.7Confident95 Ų9547.1 Ų47.151%0.50823%0.23SC..Hα-helixtrans-62-30.3-176.1-76-41.2000113R969 N970D966-R969 PolarHBondContact O-N 2.98Å; D966-R969 IonicContact OD1-CZ 3.73Å; D966-R969 IonicContact OD1-NH1 3.25Å; D966-R969 PolarHBondContact OD1-NH1 2.98Å; D966-R969 IonicContact OD1-NH2 3.29Å; D966-R969 PolarHBondContact OD1-NH2 3.48Å; D966-N970 VanDerWaalsContact O-CB 3.23Å; D966-N970 WeakPolarHBondContact O-CB 3.26Å; D966-N970 PolarHBondContact O-N 3.19Å; D966-N970 PolarHBondContact O-ND2 3.28Å; D966-N970 VanDerWaalsContact O-ND2 3.1Å
967D73.7Confident84.4Confident24 Ų2448.1 Ų48.113%0.12823%0.234CC..Hα-helixtrans-66.6-38177.376.1-45000111.5L546 P547 P965 N970 L971L546-D967 HydrophobicContact CD2-CB 4.43Å; P547-D967 WeakPolarHBondContact CD-OD2 3.32Å; P547-D967 WeakPolarHBondContact CG-OD2 3.4Å; P965-D967 WeakPolarHBondContact CB-OD1 3.46Å; P965-D967 VanDerWaalsContact CG-OD1 3.23Å; P965-D967 WeakPolarHBondContact CG-OD1 3.44Å; P965-D967 PolarHBondContact O-N 3.08Å; D967-N970 PolarHBondContact O-N 3.33Å; D967-L971 WeakPolarHBondContact O-CB 3.49Å; D967-L971 PolarHBondContact O-N 3.41Å
968A83.1Confident83.6Confident0 Ų056 Ų560%026%0.263CS..Hα-helixtrans-64.3-46.3174.400000111.2P841 W964 P965 N970 L971 V972 F1021P841-A968 HydrophobicContact CG-CB 4.01Å; W964-A968 HydrophobicContact CE3-CB 4.28Å; P965-A968 HydrophobicContact CG-CB 3.9Å; P965-A968 WeakPolarHBondContact O-CB 3.26Å; P965-A968 PolarHBondContact O-N 3.28Å; P965-A968 VanDerWaalsContact O-N 3.14Å; A968-N970 PolarHBondContact O-N 2.98Å; A968-L971 PolarHBondContact O-N 3.46Å; A968-V972 WeakPolarHBondContact O-CG2 3.43Å; A968-V972 PolarHBondContact O-N 2.89Å; A968-F1021 VanDerWaalsContact CA-CE1 3.41Å; A968-F1021 HydrophobicContact CB-CD1 3.61Å; A968-F1021 HydrophobicContact CB-CD2 4.48Å; A968-F1021 HydrophobicContact CB-CE1 3.42Å; A968-F1021 VanDerWaalsContact CB-CE1 3.42Å; A968-F1021 HydrophobicContact CB-CE2 4.32Å; A968-F1021 HydrophobicContact CB-CG 4.15Å; A968-F1021 HydrophobicContact CB-CZ 3.79Å
969R87.7Confident82.3Confident74 Ų7458.4 Ų58.428%0.27927%0.269SS..Hα-helixtrans-57.2-49172.2-179-169.271-145.9-9.1111.1C838 Y839 P965 D966 L971 V972 R973C838-R969 VanDerWaalsContact O-CD 3.26Å; C838-R969 WeakPolarHBondContact O-CD 3.38Å; C838-R969 VanDerWaalsContact O-CG 3.29Å; C838-R969 WeakPolarHBondContact O-CG 3.32Å; Y839-R969 WeakPolarHBondContact O-CD 3.18Å; P965-R969 PolarHBondContact O-N 3.46Å; D966-R969 PolarHBondContact O-N 2.98Å; D966-R969 IonicContact OD1-CZ 3.73Å; D966-R969 IonicContact OD1-NH1 3.25Å; D966-R969 PolarHBondContact OD1-NH1 2.98Å; D966-R969 IonicContact OD1-NH2 3.29Å; D966-R969 PolarHBondContact OD1-NH2 3.48Å; R969-L971 PolarHBondContact O-N 2.97Å; R969-V972 PolarHBondContact O-N 2.88Å; R969-R973 VanDerWaalsContact O-CB 3.25Å; R969-R973 WeakPolarHBondContact O-CB 3.39Å; R969-R973 PolarHBondContact O-N 2.92Å
970N83.4Confident80.6Confident58 Ų5859 Ų5931%0.3127%0.272SS..Hα-helixtrans-65.8-39.4-177-76.1-30.2000112.4D966 D967 A968 R973 K974D966-N970 VanDerWaalsContact O-CB 3.23Å; D966-N970 WeakPolarHBondContact O-CB 3.26Å; D966-N970 PolarHBondContact O-N 3.19Å; D966-N970 PolarHBondContact O-ND2 3.28Å; D966-N970 VanDerWaalsContact O-ND2 3.1Å; D967-N970 PolarHBondContact O-N 3.33Å; A968-N970 PolarHBondContact O-N 2.98Å; N970-R973 PolarHBondContact O-N 3.08Å; N970-R973 PolarHBondContact OD1-NH2 3.22Å; N970-R973 VanDerWaalsContact OD1-NH2 3.16Å; N970-K974 VanDerWaalsContact O-CB 3.29Å; N970-K974 WeakPolarHBondContact O-CB 3.48Å; N970-K974 PolarHBondContact O-N 2.76Å
971L83.4Confident78.6Confident35 Ų3567.4 Ų67.418%0.18331%0.31CS..Hα-helixtrans-66-53.1175.8-170.6156000109.1N548 D967 A968 R969 R973 K974 D975 F1016 F1021N548-L971 WeakPolarHBondContact ND2-CD1 3.45Å; D967-L971 WeakPolarHBondContact O-CB 3.49Å; D967-L971 PolarHBondContact O-N 3.41Å; A968-L971 PolarHBondContact O-N 3.46Å; R969-L971 PolarHBondContact O-N 2.97Å; L971-R973 PolarHBondContact O-N 3.19Å; L971-K974 PolarHBondContact O-N 3.38Å; L971-D975 HydrophobicContact CD2-CB 3.92Å; L971-D975 HydrophobicContact CG-CB 4.3Å; L971-D975 WeakPolarHBondContact O-CA 3.21Å; L971-D975 WeakPolarHBondContact O-CB 3.19Å; L971-D975 PolarHBondContact O-N 2.78Å; L971-F1016 HydrophobicContact CD2-CE1 3.61Å; L971-F1016 HydrophobicContact CD2-CZ 3.45Å; L971-F1016 VanDerWaalsContact CD2-CZ 3.45Å; L971-F1021 HydrophobicContact CB-CZ 4.02Å; L971-F1021 HydrophobicContact CD1-CE1 4.49Å; L971-F1021 HydrophobicContact CD1-CZ 4.24Å; L971-F1021 HydrophobicContact CD2-CE2 4.36Å; L971-F1021 HydrophobicContact CD2-CZ 3.8Å; L971-F1021 HydrophobicContact CG-CZ 4.22Å
972V88.8Confident76.7Confident0 Ų071.4 Ų71.40%033%0.332CS..Hα-helixtrans-54.3-43.8175.9171.50000111.5P841 A968 R969 K974 F976 F977 L1013 F1016 V1017 F1021P841-V972 HydrophobicContact CB-CG2 4.09Å; P841-V972 HydrophobicContact CG-CG2 4Å; A968-V972 WeakPolarHBondContact O-CG2 3.43Å; A968-V972 PolarHBondContact O-N 2.89Å; R969-V972 PolarHBondContact O-N 2.88Å; V972-K974 PolarHBondContact O-N 2.86Å; V972-F976 HydrophobicContact CG1-CB 4.31Å; V972-F976 WeakPolarHBondContact O-CA 3.44Å; V972-F976 WeakPolarHBondContact O-CB 3.49Å; V972-F976 PolarHBondContact O-N 2.71Å; V972-F977 HydrophobicContact CG1-CD2 3.89Å; V972-F977 HydrophobicContact CG1-CE2 3.49Å; V972-F977 VanDerWaalsContact CG1-CE2 3.49Å; V972-F977 HydrophobicContact CG1-CZ 4.25Å; V972-F977 PolarHBondContact O-N 2.94Å; V972-F977 VanDerWaalsContact O-N 3.08Å; V972-L1013 HydrophobicContact CG1-CD1 3.7Å; V972-F1016 HydrophobicContact CG2-CD1 4.27Å; V972-F1016 HydrophobicContact CG2-CE1 3.94Å; V972-V1017 HydrophobicContact CG2-CG2 3.99Å; V972-F1021 HydrophobicContact CG2-CE2 3.84Å; V972-F1021 HydrophobicContact CG2-CZ 4.39Å
973R87.9Confident75.1Confident109 Ų10976.9 Ų76.941%0.41136%0.356SS..Iπ-helixtrans-58.9-45.8175.7-173.6178.466.1156.2-2.5113C838 R969 N970 L971 R978C838-R973 HydrophobicContact CB-CB 4.49Å; R969-R973 VanDerWaalsContact O-CB 3.25Å; R969-R973 WeakPolarHBondContact O-CB 3.39Å; R969-R973 PolarHBondContact O-N 2.92Å; N970-R973 PolarHBondContact O-N 3.08Å; N970-R973 PolarHBondContact OD1-NH2 3.22Å; N970-R973 VanDerWaalsContact OD1-NH2 3.16Å; L971-R973 PolarHBondContact O-N 3.19Å; R973-R978 WeakPolarHBondContact O-CG 3.24Å; R973-R978 PolarHBondContact O-N 2.89Å; R973-R978 VanDerWaalsContact O-N 3.15Å
974K82.8Confident73.7Confident142 Ų14280.5 Ų80.562%0.61736%0.361SS*.Iπ-helixtrans-79.9-36.6-177.1-171.7-177.5175.4-178.90112.8N970 L971 V972 R978N970-K974 VanDerWaalsContact O-CB 3.29Å; N970-K974 WeakPolarHBondContact O-CB 3.48Å; N970-K974 PolarHBondContact O-N 2.76Å; L971-K974 PolarHBondContact O-N 3.38Å; V972-K974 PolarHBondContact O-N 2.86Å; K974-R978 VanDerWaalsContact O-CB 3.28Å; K974-R978 WeakPolarHBondContact O-CB 2.98Å
975D83.4Confident72.5Confident37 Ų3783.9 Ų83.920%0.19838%0.382CS..Iπ-helixtrans-110.9-15.4-161.7-77.814.1000113.6L971 R979 F1016L971-D975 HydrophobicContact CD2-CB 3.92Å; L971-D975 HydrophobicContact CG-CB 4.3Å; L971-D975 WeakPolarHBondContact O-CA 3.21Å; L971-D975 WeakPolarHBondContact O-CB 3.19Å; L971-D975 PolarHBondContact O-N 2.78Å; D975-R979 VanDerWaalsContact CB-NH2 3.31Å; D975-R979 WeakPolarHBondContact O-CB 3.35Å; D975-R979 WeakPolarHBondContact O-CD 3.34Å; D975-R979 VanDerWaalsContact O-CG 3.26Å; D975-R979 WeakPolarHBondContact O-CG 3.39Å; D975-R979 PolarHBondContact O-NE 2.9Å; D975-R979 PolarHBondContact O-NH1 3.15Å; D975-R979 IonicContact OD1-NE 3.51Å; D975-R979 IonicContact OD2-CZ 3.55Å; D975-R979 IonicContact OD2-NE 2.74Å; D975-R979 IonicContact OD2-NH2 2.73Å; D975-R979 PolarHBondContact OD2-NH2 2.87Å; D975-F1016 HydrophobicContact CB-CE2 4.37Å; D975-F1016 HydrophobicContact CB-CZ 3.79Å
976F87.1Confident72.5Confident9 Ų982.8 Ų82.84%0.03937%0.371CS..Iπ-helixtrans-109.7-53.7168.8-169.3-89.4000109.6V972 R986 F988 N1011 L1013 F1016V972-F976 HydrophobicContact CG1-CB 4.31Å; V972-F976 WeakPolarHBondContact O-CA 3.44Å; V972-F976 WeakPolarHBondContact O-CB 3.49Å; V972-F976 PolarHBondContact O-N 2.71Å; F976-R986 PolarHBondContact O-NH1 2.79Å; F976-F988 HydrophobicContact CD1-CE1 4.37Å; F976-F988 HydrophobicContact CE1-CD1 4.26Å; F976-F988 AromaticContact CE1-CE1 3.97Å; F976-F988 HydrophobicContact CE1-CE1 3.97Å; F976-N1011 HydrophobicContact CE2-CB 4.09Å; F976-N1011 HydrophobicContact CZ-CB 4.5Å; F976-N1011 WeakPolarHBondContact CZ-O 3.46Å; F976-L1013 HydrophobicContact CB-CD1 4.11Å; F976-L1013 HydrophobicContact CD1-CB 4.3Å; F976-L1013 HydrophobicContact CD1-CD1 3.75Å; F976-L1013 HydrophobicContact CD1-CG 4.42Å; F976-L1013 HydrophobicContact CD2-CD1 4Å; F976-L1013 HydrophobicContact CE1-CB 3.78Å; F976-L1013 HydrophobicContact CE1-CD1 4.14Å; F976-L1013 HydrophobicContact CE1-CG 4.36Å; F976-L1013 HydrophobicContact CE2-CB 4.02Å; F976-L1013 HydrophobicContact CE2-CD1 4.37Å; F976-L1013 HydrophobicContact CG-CD1 3.67Å; F976-L1013 HydrophobicContact CZ-CB 3.62Å; F976-L1013 HydrophobicContact CZ-CD1 4.43Å; F976-F1016 HydrophobicContact CB-CD1 4.33Å; F976-F1016 HydrophobicContact CB-CE1 4.24Å; F976-F1016 HydrophobicContact CB-CE2 4.45Å; F976-F1016 HydrophobicContact CB-CZ 4.3Å; F976-F1016 HydrophobicContact CD2-CB 3.92Å; F976-F1016 HydrophobicContact CD2-CD1 4.36Å; F976-F1016 AromaticContact CD2-CD2 3.92Å; F976-F1016 HydrophobicContact CD2-CD2 3.92Å; F976-F1016 AromaticContact CD2-CG 3.82Å; F976-F1016 HydrophobicContact CD2-CG 3.82Å; F976-F1016 HydrophobicContact CE2-CB 4.26Å
977F85.6Confident72.9Confident22 Ų2281.9 Ų81.910%0.09636%0.364CS..Iπ-helixtrans-76.8-32.7-175.1-62-54.1000113.9V835 C838 L844 V972 R986 F988 L1013V835-F977 HydrophobicContact CG2-CD1 3.95Å; V835-F977 HydrophobicContact CG2-CE1 3.77Å; V835-F977 HydrophobicContact CG2-CZ 4.32Å; C838-F977 HydrophobicContact CB-CD2 4.18Å; C838-F977 HydrophobicContact CB-CE2 4.1Å; L844-F977 HydrophobicContact CD1-CE1 4.39Å; L844-F977 HydrophobicContact CD1-CE2 4.44Å; L844-F977 HydrophobicContact CD1-CZ 3.7Å; L844-F977 HydrophobicContact CD2-CE2 3.7Å; L844-F977 HydrophobicContact CD2-CZ 3.8Å; L844-F977 HydrophobicContact CG-CZ 4.44Å; V972-F977 HydrophobicContact CG1-CD2 3.89Å; V972-F977 HydrophobicContact CG1-CE2 3.49Å; V972-F977 VanDerWaalsContact CG1-CE2 3.49Å; V972-F977 HydrophobicContact CG1-CZ 4.25Å; V972-F977 PolarHBondContact O-N 2.94Å; V972-F977 VanDerWaalsContact O-N 3.08Å; F977-R986 PolarHBondContact O-NH1 3.09Å; F977-F988 HydrophobicContact CD1-CD1 4.37Å; F977-F988 AromaticContact CD1-CE1 3.72Å; F977-F988 HydrophobicContact CD1-CE1 3.72Å; F977-F988 HydrophobicContact CD1-CE2 4.1Å; F977-F988 AromaticContact CD1-CZ 3.58Å; F977-F988 HydrophobicContact CD1-CZ 3.58Å; F977-F988 HydrophobicContact CE1-CD1 4.37Å; F977-F988 HydrophobicContact CE1-CE1 4.13Å; F977-F988 HydrophobicContact CE1-CZ 4.34Å; F977-L1013 HydrophobicContact CE1-CD2 4.27Å; F977-L1013 HydrophobicContact CZ-CD2 3.66Å
978R73.4Confident73.8Confident173 Ų17381 Ų8165%0.65336%0.359SS*.SBendtrans-97.6-4.4-179.7-73-179.1179.5-161.4-1.4116R973 K974 T980R973-R978 WeakPolarHBondContact O-CG 3.24Å; R973-R978 PolarHBondContact O-N 2.89Å; R973-R978 VanDerWaalsContact O-N 3.15Å; K974-R978 VanDerWaalsContact O-CB 3.28Å; K974-R978 WeakPolarHBondContact O-CB 2.98Å; R978-T980 VanDerWaalsContact C-N 3.35Å; R978-T980 PolarHBondContact O-N 3.36Å
979R52.8Low74.4Confident120 Ų12083.8 Ų83.845%0.45337%0.372SS..  trans-75.39.1-154.3-133.3-167.7-132.3165.6-7.1119.2D975D975-R979 VanDerWaalsContact CB-NH2 3.31Å; D975-R979 WeakPolarHBondContact O-CB 3.35Å; D975-R979 WeakPolarHBondContact O-CD 3.34Å; D975-R979 VanDerWaalsContact O-CG 3.26Å; D975-R979 WeakPolarHBondContact O-CG 3.39Å; D975-R979 PolarHBondContact O-NE 2.9Å; D975-R979 PolarHBondContact O-NH1 3.15Å; D975-R979 IonicContact OD1-NE 3.51Å; D975-R979 IonicContact OD2-CZ 3.55Å; D975-R979 IonicContact OD2-NE 2.74Å; D975-R979 IonicContact OD2-NH2 2.73Å; D975-R979 PolarHBondContact OD2-NH2 2.87Å
980T48.8Very low74.9Confident49 Ų4980.2 Ų80.230%0.30136%0.359SS..SBendtrans-133.7132.4176.347.40000113.3R978R978-T980 VanDerWaalsContact C-N 3.35Å; R978-T980 PolarHBondContact O-N 3.36Å
981H44.1Very low75.6Confident177 Ų17780.9 Ų80.982%0.81937%0.365SS*.THydrogen-bonded Turntrans-46.8136.4-179.3-70.3-86000112.9K983H981-K983 VanDerWaalsContact C-N 3.35Å; H981-K983 PolarHBondContact O-N 2.78Å
982N45.9Very low76.2Confident161 Ų16179.5 Ų79.586%0.86136%0.358SS*.THydrogen-bonded Turntrans66.5-2.3159.3-68.8-12.6000120.6R984N982-R984 PolarHBondContact O-N 2.88Å
983K54.3Low76.5Confident130 Ų13082.9 Ų82.957%0.56537%0.373SS*.  trans-88.993172.4-71.4-175.2-178.5175.80111H981 N985 R986H981-K983 VanDerWaalsContact C-N 3.35Å; H981-K983 PolarHBondContact O-N 2.78Å; K983-N985 PolarHBondContact O-N 3.05Å; K983-N985 VanDerWaalsContact O-N 3.13Å; K983-R986 HydrophobicContact CB-CG 4.11Å
984R57.2Low76.8Confident201 Ų20178.5 Ų78.576%0.75836%0.36SS*.SBendtrans-57.8-23.5175.5-70.7-178.1177.3176.3-1.4112.6R857 N982R857-R984 VanDerWaalsContact CZ-O 3.22Å; R857-R984 PolarHBondContact NH2-O 3.41Å; N982-R984 PolarHBondContact O-N 2.88Å
985N62Low77.3Confident99 Ų9972.5 Ų72.553%0.52934%0.337SS..  trans-120.871.6-178.6-68.7-7.5000112R857 K983R857-N985 PolarHBondContact NE-OD1 2.89Å; R857-N985 PolarHBondContact NH2-OD1 3.01Å; K983-N985 PolarHBondContact O-N 3.05Å; K983-N985 VanDerWaalsContact O-N 3.13Å
986R78.9Confident77.7Confident23 Ų2371.3 Ų71.39%0.08733%0.33CS..  trans-75.4125.2169.3-68-17373.8-158.98.2109.5L834 F976 F977 K983 F988 D1007L834-R986 WeakPolarHBondContact CD1-O 3.28Å; F976-R986 PolarHBondContact O-NH1 2.79Å; F977-R986 PolarHBondContact O-NH1 3.09Å; K983-R986 HydrophobicContact CB-CG 4.11Å; R986-F988 HydrophobicContact CB-CE2 4.09Å; R986-F988 HydrophobicContact CB-CZ 4.16Å; R986-D1007 IonicContact CZ-OD2 2.93Å; R986-D1007 IonicContact NH2-OD2 3.31Å; R986-D1007 PolarHBondContact NH2-OD2 3.41Å
987Q85.9Confident77.8Confident77 Ų7773.4 Ų73.436%0.3634%0.34SS..  trans-98.1154.1171.4-70.5-172.3-14.800109.4D1008Q987-D1008 PolarHBondContact N-OD2 3.27Å
988F93.9Very high77.9Confident6 Ų675.7 Ų75.73%0.02635%0.348CS..EExtended strand (participates in β ladder)trans-128.6153.8175.7-60.1-87.8000108.2R832 F833 V835 F976 F977 R986 I1005 Y1006 D1007R832-F988 CarbonylContact C-O 3.53Å; R832-F988 WeakPolarHBondContact CA-O 3.41Å; F833-F988 HydrophobicContact CD2-CB 4.06Å; F833-F988 HydrophobicContact CE1-CB 4.37Å; F833-F988 HydrophobicContact CE2-CB 3.61Å; F833-F988 HydrophobicContact CE2-CG 4.45Å; F833-F988 HydrophobicContact CZ-CB 3.79Å; F833-F988 PolarHBondContact N-O 3.21Å; F833-F988 PolarHBondContact O-N 2.96Å; V835-F988 HydrophobicContact CG2-CD2 3.73Å; V835-F988 HydrophobicContact CG2-CE2 4Å; V835-F988 HydrophobicContact CG2-CG 4.32Å; F976-F988 HydrophobicContact CD1-CE1 4.37Å; F976-F988 HydrophobicContact CE1-CD1 4.26Å; F976-F988 AromaticContact CE1-CE1 3.97Å; F976-F988 HydrophobicContact CE1-CE1 3.97Å; F977-F988 HydrophobicContact CD1-CD1 4.37Å; F977-F988 AromaticContact CD1-CE1 3.72Å; F977-F988 HydrophobicContact CD1-CE1 3.72Å; F977-F988 HydrophobicContact CD1-CE2 4.1Å; F977-F988 AromaticContact CD1-CZ 3.58Å; F977-F988 HydrophobicContact CD1-CZ 3.58Å; F977-F988 HydrophobicContact CE1-CD1 4.37Å; F977-F988 HydrophobicContact CE1-CE1 4.13Å; F977-F988 HydrophobicContact CE1-CZ 4.34Å; R986-F988 HydrophobicContact CB-CE2 4.09Å; R986-F988 HydrophobicContact CB-CZ 4.16Å; F988-I1005 HydrophobicContact CB-CG2 4.11Å; F988-I1005 HydrophobicContact CD1-CG2 4.35Å; F988-Y1006 VanDerWaalsContact CA-O 3.3Å; F988-Y1006 WeakPolarHBondContact CA-O 3.26Å; F988-D1007 HydrophobicContact CD1-CB 3.83Å; F988-D1007 HydrophobicContact CE1-CB 3.7Å
989H95.8Very high78.9Confident57 Ų5768 Ų6826%0.26432%0.32SS..EExtended strand (participates in β ladder)trans-135.2150.8177.663-85.3000111.7L830 I831 R832 Y1006 D1007L830-H989 HydrophobicContact CD1-CB 4.22Å; I831-H989 WeakPolarHBondContact O-CA 3.44Å; I831-H989 WeakPolarHBondContact O-CB 3.4Å; R832-H989 HydrophobicContact CG-CB 4.31Å; H989-Y1006 PolarHBondContact N-O 3.31Å; H989-Y1006 WeakPolarHBondContact NE2-CB 3.46Å; H989-Y1006 PolarHBondContact O-N 2.91Å; H989-D1007 PolarHBondContact CE1-O 3.02Å
990A97.4Very high81Confident0 Ų062.3 Ų62.30%030%0.298CS..EExtended strand (participates in β ladder)trans-152.7158.1179.400000110.3I831 F833 V1002 N1004 I1005I831-A990 HydrophobicContact CG1-CB 4.32Å; I831-A990 VanDerWaalsContact CG1-O 3.28Å; I831-A990 WeakPolarHBondContact CG1-O 3.09Å; I831-A990 PolarHBondContact N-O 2.84Å; I831-A990 PolarHBondContact O-N 3Å; I831-A990 VanDerWaalsContact O-N 3.13Å; F833-A990 HydrophobicContact CE1-CB 3.76Å; F833-A990 HydrophobicContact CZ-CB 4.32Å; A990-V1002 HydrophobicContact CB-CB 3.99Å; A990-V1002 HydrophobicContact CB-CG1 3.73Å; A990-V1002 HydrophobicContact CB-CG2 4.21Å; A990-N1004 VanDerWaalsContact CB-O 3.26Å; A990-N1004 WeakPolarHBondContact CB-O 3.46Å; A990-I1005 HydrophobicContact CB-CG1 4.43Å
991V97.2Very high83.3Confident72 Ų7260 Ų6044%0.43628%0.284SS..EExtended strand (participates in β ladder)trans-101.9117.3174.5-1780000109.2G829 L830 Q993G829-V991 WeakPolarHBondContact O-CA 3.36Å; L830-V991 HydrophobicContact CD1-CG2 4.07Å; V991-Q993 PolarHBondContact O-N 2.85Å; V991-Q993 PolarHBondContact O-NE2 2.84Å
992V97.1Very high85.9Confident6 Ų651.6 Ų51.64%0.03625%0.245CC..EExtended strand (participates in β ladder)trans-65.7125.3177.7-179.40000109.5P826 G829 I831 I1000P826-V992 HydrophobicContact CB-CG2 4.25Å; P826-V992 HydrophobicContact CG-CG2 4.18Å; G829-V992 PolarHBondContact O-N 3.46Å; I831-V992 HydrophobicContact CB-CG2 4.44Å; I831-V992 HydrophobicContact CD1-CG2 3.88Å; I831-V992 HydrophobicContact CG1-CG2 3.96Å; I831-V992 HydrophobicContact CG2-CG2 3.63Å; V992-I1000 HydrophobicContact CB-CG2 4.46Å; V992-I1000 HydrophobicContact CG1-CG2 4Å; V992-I1000 HydrophobicContact CG2-CG2 3.8Å
993Q95.2Very high88.2Confident70 Ų7051.7 Ų51.733%0.32723%0.234SC..EExtended strand (participates in β ladder)trans-92.1-46173.8-61.2-59.2-7400111V991 F1001 R1003V991-Q993 PolarHBondContact O-N 2.85Å; V991-Q993 PolarHBondContact O-NE2 2.84Å; Q993-F1001 PolarHBondContact N-O 3.15Å; Q993-R1003 HydrophobicContact CG-CG 3.66Å
994S93.4Very high90.2Very high18 Ų1846 Ų4613%0.12621%0.21CC..EExtended strand (participates in β ladder)trans-156.6156.6179.656.20000109.4F1001 Q1030S994-F1001 PolarHBondContact O-N 3.47Å; S994-Q1030 PolarHBondContact OG-NE2 2.94Å; S994-Q1030 PolarHBondContact OG-OE1 2.79Å; S994-Q1030 VanDerWaalsContact OG-OE1 3.11Å
995A94.3Very high92.1Very high16 Ų1636.5 Ų36.513%0.13217%0.174CC..EExtended strand (participates in β ladder)trans-129.2120.816900000107.3P821 T999P821-A995 HydrophobicContact CB-CB 3.95Å; P821-A995 HydrophobicContact CG-CB 3.97Å; A995-T999 WeakPolarHBondContact CA-O 3.32Å
996I92.3Very high93.7Very high12 Ų1235.6 Ų35.66%0.06216%0.163CC..EExtended strand (participates in β ladder)trans-128.5128.5-177.1-53.5171.7000106.5M814 R998 T999 F1001 L1033 M1036 V1037M814-I996 HydrophobicContact CE-CG2 3.93Å; M814-I996 HydrophobicContact SD-CG2 4.01Å; I996-R998 PolarHBondContact O-N 2.93Å; I996-T999 PolarHBondContact N-O 2.81Å; I996-T999 PolarHBondContact O-N 3.39Å; I996-F1001 HydrophobicContact CB-CE2 4.19Å; I996-F1001 HydrophobicContact CD1-CE2 4.23Å; I996-F1001 HydrophobicContact CG1-CE2 4.36Å; I996-L1033 HydrophobicContact CD1-CB 3.83Å; I996-L1033 HydrophobicContact CD1-CD1 4.5Å; I996-M1036 HydrophobicContact CG2-CE 4.42Å; I996-V1037 HydrophobicContact CD1-CG2 4.08Å; I996-V1037 HydrophobicContact CG1-CG2 4.4Å; I996-V1037 HydrophobicContact CG2-CG2 3.69Å
997H87.6Confident94.2Very high52 Ų5234.6 Ų34.624%0.24116%0.16CC..THydrogen-bonded Turntrans51.2-129.2-173-167.460.6000111M814 E818 V819 P821 P822 T999M814-H997 HydrophobicContact CE-CB 3.71Å; E818-H997 WeakPolarHBondContact O-CA 3.35Å; E818-H997 WeakPolarHBondContact O-CB 3.3Å; E818-H997 PolarHBondContact O-N 3.11Å; E818-H997 PolarHBondContact O-ND1 3.4Å; V819-H997 PolarHBondContact O-N 3.11Å; P821-H997 WeakPolarHBondContact CA-O 3.23Å; P821-H997 WeakPolarHBondContact CB-O 3.34Å; P822-H997 VanDerWaalsContact CD-O 3.32Å; P822-H997 WeakPolarHBondContact CD-O 3.46Å; H997-T999 VanDerWaalsContact C-N 3.33Å
998R88.4Confident94.1Very high71 Ų7135.1 Ų35.127%0.26817%0.165SC..THydrogen-bonded Turntrans-93.817.6-179.7-61.4173.1-179.6-169.72.3113.2Y825 Q917 I996Y825-R998 WeakPolarHBondContact CE1-O 3.49Å; Y825-R998 PolarHBondContact OH-O 3.34Å; Q917-R998 VanDerWaalsContact OE1-NH1 3.16Å; I996-R998 PolarHBondContact O-N 2.93Å
999T94.8Very high93.7Very high11 Ų1140.1 Ų40.17%0.06719%0.188CC..EExtended strand (participates in β ladder)trans-120.2131.2-174.1-46.60000111.7D949 R951 A995 I996 H997 F1001D949-T999 WeakPolarHBondContact O-CA 3.37Å; R951-T999 HydrophobicContact CB-CG2 4.26Å; R951-T999 HydrophobicContact CG-CG2 3.76Å; A995-T999 WeakPolarHBondContact CA-O 3.32Å; I996-T999 PolarHBondContact N-O 2.81Å; I996-T999 PolarHBondContact O-N 3.39Å; H997-T999 VanDerWaalsContact C-N 3.33Å; T999-F1001 HydrophobicContact CG2-CD2 4.33Å; T999-F1001 HydrophobicContact CG2-CE1 4.08Å; T999-F1001 HydrophobicContact CG2-CE2 3.79Å; T999-F1001 HydrophobicContact CG2-CZ 3.66Å
1000I96.9Very high93.2Very high0 Ų039.8 Ų39.80%020%0.2CC..EExtended strand (participates in β ladder)trans-100122.7172.9-58.8171000108.4Y825 P826 I831 M948 D949 L950 R951 V992 V1002Y825-I1000 HydrophobicContact CD1-CD1 3.91Å; Y825-I1000 HydrophobicContact CD1-CG1 3.66Å; Y825-I1000 HydrophobicContact CE1-CD1 4.26Å; Y825-I1000 HydrophobicContact CE1-CG1 4.07Å; P826-I1000 HydrophobicContact CG-CD1 3.86Å; I831-I1000 HydrophobicContact CD1-CG2 4.41Å; M948-I1000 HydrophobicContact CB-CD1 4.05Å; M948-I1000 HydrophobicContact CG-CD1 4.47Å; M948-I1000 HydrophobicContact SD-CD1 3.67Å; D949-I1000 PolarHBondContact O-N 3.43Å; L950-I1000 WeakPolarHBondContact CA-O 3.39Å; L950-I1000 HydrophobicContact CD1-CG2 4.47Å; R951-I1000 PolarHBondContact N-O 3.4Å; V992-I1000 HydrophobicContact CB-CG2 4.46Å; V992-I1000 HydrophobicContact CG1-CG2 4Å; V992-I1000 HydrophobicContact CG2-CG2 3.8Å; I1000-V1002 HydrophobicContact CG2-CG1 4.27Å
1001F97Very high92.8Very high1 Ų143.4 Ų43.40%0.00422%0.22CC..EExtended strand (participates in β ladder)trans-100.2130.4177.1-66-83.9000111.2A798 R951 L953 Q993 S994 I996 T999 L1033A798-F1001 WeakPolarHBondContact O-CZ 3.33Å; R951-F1001 HydrophobicContact CB-CD1 4.18Å; R951-F1001 HydrophobicContact CB-CE1 4.22Å; R951-F1001 WeakPolarHBondContact O-CA 3.33Å; L953-F1001 HydrophobicContact CD1-CB 4.3Å; L953-F1001 HydrophobicContact CD1-CD1 3.95Å; L953-F1001 HydrophobicContact CD1-CG 4.31Å; Q993-F1001 PolarHBondContact N-O 3.15Å; S994-F1001 PolarHBondContact O-N 3.47Å; I996-F1001 HydrophobicContact CB-CE2 4.19Å; I996-F1001 HydrophobicContact CD1-CE2 4.23Å; I996-F1001 HydrophobicContact CG1-CE2 4.36Å; T999-F1001 HydrophobicContact CG2-CD2 4.33Å; T999-F1001 HydrophobicContact CG2-CE1 4.08Å; T999-F1001 HydrophobicContact CG2-CE2 3.79Å; T999-F1001 HydrophobicContact CG2-CZ 3.66Å; F1001-L1033 HydrophobicContact CD1-CD1 4.06Å; F1001-L1033 HydrophobicContact CD2-CD1 4.37Å; F1001-L1033 HydrophobicContact CE1-CD1 3.78Å; F1001-L1033 HydrophobicContact CE2-CD1 4.12Å; F1001-L1033 HydrophobicContact CG-CD1 4.34Å; F1001-L1033 HydrophobicContact CZ-CD1 3.81Å; F1001-L1033 HydrophobicContact CZ-CD2 4.16Å
1002V97.4Very high92.6Very high0 Ų042 Ų420%021%0.21CC..EExtended strand (participates in β ladder)trans-128153.5177.9-58.30000110.1L950 R951 I952 L953 A990 I1000 I1005L950-V1002 HydrophobicContact CD1-CG1 4.12Å; L950-V1002 HydrophobicContact CD2-CG2 3.89Å; L950-V1002 HydrophobicContact CG-CG1 4.34Å; L950-V1002 HydrophobicContact CG-CG2 4.35Å; R951-V1002 PolarHBondContact O-N 3.25Å; I952-V1002 CarbonylContact C-O 3.58Å; I952-V1002 WeakPolarHBondContact CA-O 3.5Å; I952-V1002 HydrophobicContact CG1-CG2 4.4Å; L953-V1002 WeakPolarHBondContact CB-O 3.48Å; L953-V1002 PolarHBondContact N-O 3.48Å; A990-V1002 HydrophobicContact CB-CB 3.99Å; A990-V1002 HydrophobicContact CB-CG1 3.73Å; A990-V1002 HydrophobicContact CB-CG2 4.21Å; I1000-V1002 HydrophobicContact CG2-CG1 4.27Å; V1002-I1005 HydrophobicContact CG2-CG1 4.06Å
1003R95Very high92.4Very high164 Ų16441.7 Ų41.762%0.61921%0.208SC*.SBendtrans-74-32.7172.4-70.8-172.4-175.5-157.6-4.9112.5I952 Q993I952-R1003 WeakPolarHBondContact CG2-O 3.15Å; Q993-R1003 HydrophobicContact CG-CG 3.66Å
1004N96.2Very high92.3Very high11 Ų1139.2 Ų39.26%0.05920%0.197CC..  trans-163.4166.1-172.6-156.1-1.9000111.6A990 Y1006 D1012 L1014A990-N1004 VanDerWaalsContact CB-O 3.26Å; A990-N1004 WeakPolarHBondContact CB-O 3.46Å; N1004-Y1006 HydrophobicContact CB-CE2 3.94Å; N1004-Y1006 PolarHBondContact ND2-OH 3.48Å; N1004-D1012 VanDerWaalsContact CG-OD1 3.23Å; N1004-D1012 PolarHBondContact ND2-OD1 2.93Å; N1004-D1012 PolarHBondContact ND2-OD2 3.48Å; N1004-D1012 PolarHBondContact OD1-OD1 3.31Å; N1004-L1014 HydrophobicContact CB-CB 4.49Å; N1004-L1014 WeakPolarHBondContact OD1-CB 3.47Å; N1004-L1014 PolarHBondContact OD1-N 2.69Å
1005I96.6Very high92.2Very high0 Ų040.9 Ų40.90%021%0.209CC..  trans-127.5134.6175.9-58.4178.6000108.9F833 L844 L950 I952 F988 A990 V1002 L1013F833-I1005 HydrophobicContact CE2-CG2 4.35Å; F833-I1005 HydrophobicContact CZ-CD1 4.22Å; F833-I1005 HydrophobicContact CZ-CG1 4.26Å; F833-I1005 HydrophobicContact CZ-CG2 3.76Å; L844-I1005 HydrophobicContact CD1-CD1 3.34Å; L950-I1005 HydrophobicContact CD2-CD1 3.37Å; L950-I1005 HydrophobicContact CD2-CG1 4.06Å; I952-I1005 HydrophobicContact CD1-CD1 4.38Å; I952-I1005 HydrophobicContact CD1-CG1 4.43Å; I952-I1005 HydrophobicContact CG1-CD1 4.27Å; I952-I1005 HydrophobicContact CG1-CG1 4.34Å; F988-I1005 HydrophobicContact CB-CG2 4.11Å; F988-I1005 HydrophobicContact CD1-CG2 4.35Å; A990-I1005 HydrophobicContact CB-CG1 4.43Å; V1002-I1005 HydrophobicContact CG2-CG1 4.06Å; I1005-L1013 HydrophobicContact CB-CB 4.08Å; I1005-L1013 HydrophobicContact CB-CD2 4.11Å; I1005-L1013 HydrophobicContact CD1-CD2 3.97Å; I1005-L1013 HydrophobicContact CG1-CD2 4.46Å; I1005-L1013 WeakPolarHBondContact O-CB 3.38Å; I1005-L1013 PolarHBondContact O-N 3.49Å
1006Y95.4Very high92Very high80 Ų8040.9 Ų40.931%0.31421%0.206SC..EExtended strand (participates in β ladder)trans-120.7145.1179-55.6-83.2000110.6F988 H989 N1004 N1011 D1012F988-Y1006 VanDerWaalsContact CA-O 3.3Å; F988-Y1006 WeakPolarHBondContact CA-O 3.26Å; H989-Y1006 PolarHBondContact N-O 3.31Å; H989-Y1006 WeakPolarHBondContact NE2-CB 3.46Å; H989-Y1006 PolarHBondContact O-N 2.91Å; N1004-Y1006 HydrophobicContact CB-CE2 3.94Å; N1004-Y1006 PolarHBondContact ND2-OH 3.48Å; Y1006-N1011 VanDerWaalsContact CA-O 3.31Å; Y1006-N1011 WeakPolarHBondContact CA-O 3.5Å; Y1006-D1012 HydrophobicContact CD1-CB 4.21Å; Y1006-D1012 HydrophobicContact CE1-CB 4.03Å
1007D90.1Very high91.9Very high3 Ų340.3 Ų40.32%0.01620%0.203CC..EExtended strand (participates in β ladder)trans-88.6174.716773.310.9000111.8R986 F988 H989 E1009 G1010 N1011R986-D1007 IonicContact CZ-OD2 2.93Å; R986-D1007 IonicContact NH2-OD2 3.31Å; R986-D1007 PolarHBondContact NH2-OD2 3.41Å; F988-D1007 HydrophobicContact CD1-CB 3.83Å; F988-D1007 HydrophobicContact CE1-CB 3.7Å; H989-D1007 PolarHBondContact CE1-O 3.02Å; D1007-E1009 PolarHBondContact O-N 3.16Å; D1007-E1009 VanDerWaalsContact O-N 3.13Å; D1007-E1009 WeakPolarHBondContact OD1-CA 3.46Å; D1007-E1009 WeakPolarHBondContact OD1-CB 3.4Å; D1007-E1009 PolarHBondContact OD1-N 3.16Å; D1007-G1010 PolarHBondContact O-N 2.92Å; D1007-G1010 PolarHBondContact OD1-N 3.11Å; D1007-N1011 PolarHBondContact N-O 3.42Å; D1007-N1011 VanDerWaalsContact N-O 3.17Å; D1007-N1011 WeakPolarHBondContact OD1-CB 3.01Å; D1007-N1011 PolarHBondContact OD1-N 3.18Å; D1007-N1011 PolarHBondContact OD1-ND2 3.42Å; D1007-N1011 WeakPolarHBondContact OD2-CB 3.42Å; D1007-N1011 PolarHBondContact OD2-ND2 3.17Å
1008D84.3Confident91.9Very high87 Ų8741.3 Ų41.347%0.46521%0.209SC..THydrogen-bonded Turntrans-61.9-16.7179.2-61.5-35.9000114.1Q987Q987-D1008 PolarHBondContact N-OD2 3.27Å
1009E84.4Confident91.6Very high111 Ų11144.1 Ų44.152%0.51923%0.229SC..THydrogen-bonded Turntrans-93.4-0.8177.6-66.4170.3-161.900111.8D1007 N1011D1007-E1009 PolarHBondContact O-N 3.16Å; D1007-E1009 VanDerWaalsContact O-N 3.13Å; D1007-E1009 WeakPolarHBondContact OD1-CA 3.46Å; D1007-E1009 WeakPolarHBondContact OD1-CB 3.4Å; D1007-E1009 PolarHBondContact OD1-N 3.16Å; E1009-N1011 VanDerWaalsContact C-N 3.32Å; E1009-N1011 PolarHBondContact OE2-ND2 2.93Å
1010G85.7Confident90.9Very high50 Ų5048.9 Ų48.952%0.51525%0.246SC..  trans8010.7-177.500000113.9D1007D1007-G1010 PolarHBondContact O-N 2.92Å; D1007-G1010 PolarHBondContact OD1-N 3.11Å
1011N89.6Confident90.1Very high77 Ų7749.9 Ų49.941%0.41225%0.251SS..  trans-68.8137174.8-58.2-65000110.2F976 Y1006 D1007 E1009F976-N1011 HydrophobicContact CE2-CB 4.09Å; F976-N1011 HydrophobicContact CZ-CB 4.5Å; F976-N1011 WeakPolarHBondContact CZ-O 3.46Å; Y1006-N1011 VanDerWaalsContact CA-O 3.31Å; Y1006-N1011 WeakPolarHBondContact CA-O 3.5Å; D1007-N1011 PolarHBondContact N-O 3.42Å; D1007-N1011 VanDerWaalsContact N-O 3.17Å; D1007-N1011 WeakPolarHBondContact OD1-CB 3.01Å; D1007-N1011 PolarHBondContact OD1-N 3.18Å; D1007-N1011 PolarHBondContact OD1-ND2 3.42Å; D1007-N1011 WeakPolarHBondContact OD2-CB 3.42Å; D1007-N1011 PolarHBondContact OD2-ND2 3.17Å; E1009-N1011 VanDerWaalsContact C-N 3.32Å; E1009-N1011 PolarHBondContact OE2-ND2 2.93Å
1012D92.8Very high89.2Confident41 Ų4154.9 Ų54.922%0.21927%0.27CS..BIsolated β-bridgetrans-98.7122.2-174170.5-11.7000111.1N1004 Y1006 L1014 S1015 F1016N1004-D1012 VanDerWaalsContact CG-OD1 3.23Å; N1004-D1012 PolarHBondContact ND2-OD1 2.93Å; N1004-D1012 PolarHBondContact ND2-OD2 3.48Å; N1004-D1012 PolarHBondContact OD1-OD1 3.31Å; Y1006-D1012 HydrophobicContact CD1-CB 4.21Å; Y1006-D1012 HydrophobicContact CE1-CB 4.03Å; D1012-L1014 WeakPolarHBondContact OD1-CA 3.39Å; D1012-L1014 WeakPolarHBondContact OD1-CB 3.21Å; D1012-L1014 PolarHBondContact OD1-N 3.4Å; D1012-S1015 VanDerWaalsContact CG-CB 3.42Å; D1012-S1015 VanDerWaalsContact CG-OG 3.25Å; D1012-S1015 PolarHBondContact OD1-N 3.48Å; D1012-S1015 VanDerWaalsContact OD2-CB 3.32Å; D1012-S1015 WeakPolarHBondContact OD2-CB 3.41Å; D1012-S1015 PolarHBondContact OD2-OG 2.98Å; D1012-F1016 VanDerWaalsContact O-CB 3.26Å; D1012-F1016 WeakPolarHBondContact O-CB 3.41Å; D1012-F1016 PolarHBondContact O-N 3.42Å
1013L93.6Very high88.7Confident0 Ų055.6 Ų55.60%028%0.275CS..Hα-helixtrans-70.9-42.8177.8-179.757.6000113.2I952 V972 F976 F977 I1005 S1015 F1016 V1017I952-L1013 HydrophobicContact CD1-CD2 3.96Å; I952-L1013 HydrophobicContact CD1-CG 4.2Å; V972-L1013 HydrophobicContact CG1-CD1 3.7Å; F976-L1013 HydrophobicContact CB-CD1 4.11Å; F976-L1013 HydrophobicContact CD1-CB 4.3Å; F976-L1013 HydrophobicContact CD1-CD1 3.75Å; F976-L1013 HydrophobicContact CD1-CG 4.42Å; F976-L1013 HydrophobicContact CD2-CD1 4Å; F976-L1013 HydrophobicContact CE1-CB 3.78Å; F976-L1013 HydrophobicContact CE1-CD1 4.14Å; F976-L1013 HydrophobicContact CE1-CG 4.36Å; F976-L1013 HydrophobicContact CE2-CB 4.02Å; F976-L1013 HydrophobicContact CE2-CD1 4.37Å; F976-L1013 HydrophobicContact CG-CD1 3.67Å; F976-L1013 HydrophobicContact CZ-CB 3.62Å; F976-L1013 HydrophobicContact CZ-CD1 4.43Å; F977-L1013 HydrophobicContact CE1-CD2 4.27Å; F977-L1013 HydrophobicContact CZ-CD2 3.66Å; I1005-L1013 HydrophobicContact CB-CB 4.08Å; I1005-L1013 HydrophobicContact CB-CD2 4.11Å; I1005-L1013 HydrophobicContact CD1-CD2 3.97Å; I1005-L1013 HydrophobicContact CG1-CD2 4.46Å; I1005-L1013 WeakPolarHBondContact O-CB 3.38Å; I1005-L1013 PolarHBondContact O-N 3.49Å; L1013-S1015 PolarHBondContact O-N 2.74Å; L1013-F1016 HydrophobicContact CD1-CD1 4.32Å; L1013-F1016 WeakPolarHBondContact O-CB 3.35Å; L1013-F1016 PolarHBondContact O-N 3.21Å; L1013-F1016 VanDerWaalsContact O-N 3.15Å; L1013-V1017 HydrophobicContact CD1-CG2 3.91Å; L1013-V1017 HydrophobicContact CG-CG2 4.32Å; L1013-V1017 VanDerWaalsContact O-CG2 3.29Å; L1013-V1017 WeakPolarHBondContact O-CG2 3.34Å; L1013-V1017 PolarHBondContact O-N 3.39Å
1014L93.4Very high88.4Confident18 Ų1850.7 Ų50.79%0.09426%0.258CS..Hα-helixtrans-59.2-49178.9177.764.5000110.7I952 L955 N1004 D1012 F1016 V1017 I1018I952-L1014 HydrophobicContact CG2-CD1 4.25Å; L955-L1014 HydrophobicContact CD1-CD1 3.82Å; L955-L1014 HydrophobicContact CD2-CD1 3.9Å; L955-L1014 HydrophobicContact CG-CD1 4.28Å; N1004-L1014 HydrophobicContact CB-CB 4.49Å; N1004-L1014 WeakPolarHBondContact OD1-CB 3.47Å; N1004-L1014 PolarHBondContact OD1-N 2.69Å; D1012-L1014 WeakPolarHBondContact OD1-CA 3.39Å; D1012-L1014 WeakPolarHBondContact OD1-CB 3.21Å; D1012-L1014 PolarHBondContact OD1-N 3.4Å; L1014-F1016 VanDerWaalsContact C-N 3.3Å; L1014-F1016 PolarHBondContact O-N 3Å; L1014-V1017 PolarHBondContact O-N 2.84Å; L1014-I1018 HydrophobicContact CD1-CD1 3.64Å; L1014-I1018 HydrophobicContact CD1-CG1 4.13Å; L1014-I1018 HydrophobicContact CG-CD1 3.81Å; L1014-I1018 WeakPolarHBondContact O-CG1 3.44Å; L1014-I1018 PolarHBondContact O-N 3.14Å
1015S91.3Very high88.2Confident54 Ų5453.4 Ų53.438%0.37827%0.271SS..Hα-helixtrans-62.3-37.9174.5-68.40000111.6D1012 L1013 V1017 N1019D1012-S1015 VanDerWaalsContact CG-CB 3.42Å; D1012-S1015 VanDerWaalsContact CG-OG 3.25Å; D1012-S1015 PolarHBondContact OD1-N 3.48Å; D1012-S1015 VanDerWaalsContact OD2-CB 3.32Å; D1012-S1015 WeakPolarHBondContact OD2-CB 3.41Å; D1012-S1015 PolarHBondContact OD2-OG 2.98Å; L1013-S1015 PolarHBondContact O-N 2.74Å; S1015-V1017 VanDerWaalsContact C-N 3.31Å; S1015-V1017 PolarHBondContact O-N 3.22Å; S1015-N1019 VanDerWaalsContact O-CB 3.27Å; S1015-N1019 WeakPolarHBondContact O-CB 3.38Å; S1015-N1019 VanDerWaalsContact O-CG 3.22Å; S1015-N1019 PolarHBondContact O-N 3.43Å; S1015-N1019 PolarHBondContact O-ND2 2.85Å
1016F89.8Confident87.9Confident16 Ų1654.1 Ų54.17%0.0728%0.275CS..Hα-helixtrans-60.1-41.5174.8177-83.8000112.3L971 V972 D975 F976 D1012 L1013 L1014 R1020L971-F1016 HydrophobicContact CD2-CE1 3.61Å; L971-F1016 HydrophobicContact CD2-CZ 3.45Å; L971-F1016 VanDerWaalsContact CD2-CZ 3.45Å; V972-F1016 HydrophobicContact CG2-CD1 4.27Å; V972-F1016 HydrophobicContact CG2-CE1 3.94Å; D975-F1016 HydrophobicContact CB-CE2 4.37Å; D975-F1016 HydrophobicContact CB-CZ 3.79Å; F976-F1016 HydrophobicContact CB-CD1 4.33Å; F976-F1016 HydrophobicContact CB-CE1 4.24Å; F976-F1016 HydrophobicContact CB-CE2 4.45Å; F976-F1016 HydrophobicContact CB-CZ 4.3Å; F976-F1016 HydrophobicContact CD2-CB 3.92Å; F976-F1016 HydrophobicContact CD2-CD1 4.36Å; F976-F1016 AromaticContact CD2-CD2 3.92Å; F976-F1016 HydrophobicContact CD2-CD2 3.92Å; F976-F1016 AromaticContact CD2-CG 3.82Å; F976-F1016 HydrophobicContact CD2-CG 3.82Å; F976-F1016 HydrophobicContact CE2-CB 4.26Å; D1012-F1016 VanDerWaalsContact O-CB 3.26Å; D1012-F1016 WeakPolarHBondContact O-CB 3.41Å; D1012-F1016 PolarHBondContact O-N 3.42Å; L1013-F1016 HydrophobicContact CD1-CD1 4.32Å; L1013-F1016 WeakPolarHBondContact O-CB 3.35Å; L1013-F1016 PolarHBondContact O-N 3.21Å; L1013-F1016 VanDerWaalsContact O-N 3.15Å; L1014-F1016 VanDerWaalsContact C-N 3.3Å; L1014-F1016 PolarHBondContact O-N 3Å; F1016-R1020 WeakPolarHBondContact O-CB 3.41Å; F1016-R1020 WeakPolarHBondContact O-CG 3.43Å; F1016-R1020 PolarHBondContact O-NH1 3.13Å
1017V90.2Very high87.7Confident0 Ų059 Ų590%030%0.3CS..Hα-helixtrans-74.4-52.4-177.8171.80000111.2P841 L955 W964 V972 L1013 L1014 S1015 N1019 R1020 F1021P841-V1017 HydrophobicContact CB-CG1 3.93Å; P841-V1017 HydrophobicContact CB-CG2 3.8Å; L955-V1017 HydrophobicContact CD1-CG1 4.42Å; L955-V1017 HydrophobicContact CD2-CG1 4.22Å; W964-V1017 HydrophobicContact CH2-CG1 3.64Å; W964-V1017 HydrophobicContact CZ3-CG1 4.11Å; V972-V1017 HydrophobicContact CG2-CG2 3.99Å; L1013-V1017 HydrophobicContact CD1-CG2 3.91Å; L1013-V1017 HydrophobicContact CG-CG2 4.32Å; L1013-V1017 VanDerWaalsContact O-CG2 3.29Å; L1013-V1017 WeakPolarHBondContact O-CG2 3.34Å; L1013-V1017 PolarHBondContact O-N 3.39Å; L1014-V1017 PolarHBondContact O-N 2.84Å; S1015-V1017 VanDerWaalsContact C-N 3.31Å; S1015-V1017 PolarHBondContact O-N 3.22Å; V1017-N1019 PolarHBondContact O-N 3.34Å; V1017-R1020 PolarHBondContact O-N 2.79Å; V1017-F1021 HydrophobicContact CB-CD2 4.32Å; V1017-F1021 HydrophobicContact CG1-CD2 3.93Å; V1017-F1021 WeakPolarHBondContact O-CD2 3.45Å; V1017-F1021 PolarHBondContact O-N 3.49Å
1018I87.1Confident87.7Confident72 Ų7261.9 Ų61.937%0.36932%0.32SS..Hα-helixtrans-59.5-36.8-177.5-69174.4000111.4L1014 R1020L1014-I1018 HydrophobicContact CD1-CD1 3.64Å; L1014-I1018 HydrophobicContact CD1-CG1 4.13Å; L1014-I1018 HydrophobicContact CG-CD1 3.81Å; L1014-I1018 WeakPolarHBondContact O-CG1 3.44Å; L1014-I1018 PolarHBondContact O-N 3.14Å; I1018-R1020 VanDerWaalsContact C-N 3.27Å; I1018-R1020 PolarHBondContact O-N 3.14Å
1019N82.8Confident88.2Confident130 Ų13057.8 Ų57.870%0.69530%0.298SS*.THydrogen-bonded Turntrans-76.2-10.6-180-70.4-38.4000114.2S1015 V1017S1015-N1019 VanDerWaalsContact O-CB 3.27Å; S1015-N1019 WeakPolarHBondContact O-CB 3.38Å; S1015-N1019 VanDerWaalsContact O-CG 3.22Å; S1015-N1019 PolarHBondContact O-N 3.43Å; S1015-N1019 PolarHBondContact O-ND2 2.85Å; V1017-N1019 PolarHBondContact O-N 3.34Å
1020R78.3Confident88.7Confident111 Ų11154.4 Ų54.442%0.41928%0.283SS..THydrogen-bonded Turntrans-121.2-26.5-173.6-72.3-179.2171.975.84.8114.1F1016 V1017 I1018F1016-R1020 WeakPolarHBondContact O-CB 3.41Å; F1016-R1020 WeakPolarHBondContact O-CG 3.43Å; F1016-R1020 PolarHBondContact O-NH1 3.13Å; V1017-R1020 PolarHBondContact O-N 2.79Å; I1018-R1020 VanDerWaalsContact C-N 3.27Å; I1018-R1020 PolarHBondContact O-N 3.14Å
1021F81.3Confident89.1Confident22 Ų2257.7 Ų57.710%0.09629%0.288CS..SBendtrans-124.7154-175-53.3-70.4000111.2W964 A968 L971 V972 V1017 S1023W964-F1021 HydrophobicContact CZ3-CB 4.01Å; W964-F1021 HydrophobicContact CZ3-CG 4.47Å; A968-F1021 VanDerWaalsContact CA-CE1 3.41Å; A968-F1021 HydrophobicContact CB-CD1 3.61Å; A968-F1021 HydrophobicContact CB-CD2 4.48Å; A968-F1021 HydrophobicContact CB-CE1 3.42Å; A968-F1021 VanDerWaalsContact CB-CE1 3.42Å; A968-F1021 HydrophobicContact CB-CE2 4.32Å; A968-F1021 HydrophobicContact CB-CG 4.15Å; A968-F1021 HydrophobicContact CB-CZ 3.79Å; L971-F1021 HydrophobicContact CB-CZ 4.02Å; L971-F1021 HydrophobicContact CD1-CE1 4.49Å; L971-F1021 HydrophobicContact CD1-CZ 4.24Å; L971-F1021 HydrophobicContact CD2-CE2 4.36Å; L971-F1021 HydrophobicContact CD2-CZ 3.8Å; L971-F1021 HydrophobicContact CG-CZ 4.22Å; V972-F1021 HydrophobicContact CG2-CE2 3.84Å; V972-F1021 HydrophobicContact CG2-CZ 4.39Å; V1017-F1021 HydrophobicContact CB-CD2 4.32Å; V1017-F1021 HydrophobicContact CG1-CD2 3.93Å; V1017-F1021 WeakPolarHBondContact O-CD2 3.45Å; V1017-F1021 PolarHBondContact O-N 3.49Å; F1021-S1023 PolarHBondContact O-N 3.12Å; F1021-S1023 VanDerWaalsContact O-N 3.1Å
1022R78.3Confident89.3Confident106 Ų10656.9 Ų56.940%0.428%0.28SS..  trans-73.5100.9170.5-66.6-170.7-166.1-171.85.2109.1H578 K764 E958H578-R1022 PolarHBondContact CE1-NH2 3.4Å; H578-R1022 PolarHBondContact ND1-NH2 2.99Å; K764-R1022 VanDerWaalsContact CE-CZ 3.48Å; E958-R1022 HydrophobicContact CB-CB 4.25Å; E958-R1022 HydrophobicContact CG-CB 4.28Å; E958-R1022 PolarHBondContact N-O 3.26Å; E958-R1022 WeakPolarHBondContact OE2-CB 3.42Å
1023S87Confident89.4Confident15 Ų1555 Ų5511%0.10527%0.27CS..EExtended strand (participates in β ladder)trans-144.6154.1-175.961.80000111.7Q956 W964 F1021Q956-S1023 CarbonylContact O-C 3.21Å; Q956-S1023 VanDerWaalsContact O-CA 3.3Å; Q956-S1023 WeakPolarHBondContact O-CA 3.47Å; Q956-S1023 WeakPolarHBondContact O-CB 3.36Å; W964-S1023 VanDerWaalsContact CH2-CB 3.46Å; F1021-S1023 PolarHBondContact O-N 3.12Å; F1021-S1023 VanDerWaalsContact O-N 3.1Å
1024H88.2Confident89.5Confident60 Ų6058 Ų5828%0.27829%0.286SS..EExtended strand (participates in β ladder)trans-126.8140.5177.6171.461000109.2R767 Q956R767-H1024 WeakPolarHBondContact CD-NE2 3.24Å; R767-H1024 PolarHBondContact NE-CD2 3.25Å; R767-H1024 PolarHBondContact NE-NE2 3.04Å; Q956-H1024 HydrophobicContact CG-CB 4.49Å; Q956-H1024 WeakPolarHBondContact CG-O 3.24Å; Q956-H1024 PolarHBondContact N-O 3.47Å; Q956-H1024 PolarHBondContact NE2-CD2 3.42Å; Q956-H1024 PolarHBondContact O-N 3.24Å
1025Q91Very high89.4Confident68 Ų6859.3 Ų59.332%0.31830%0.3SS..EExtended strand (participates in β ladder)trans-101.9114.6170.8-171.9169.420.200109.1G954 E1027G954-Q1025 WeakPolarHBondContact O-CA 3.5Å; Q1025-E1027 PolarHBondContact O-N 3.01Å
1026D90.9Very high89.5Confident16 Ų1657.1 Ų57.19%0.08628%0.284CS..  trans-83.2101.6176.1-172.3-14000110G954 C1028 C1029 K1032G954-D1026 PolarHBondContact O-N 3.15Å; D1026-C1028 PolarHBondContact O-N 2.91Å; D1026-C1028 WeakPolarHBondContact OD1-CB 3.45Å; D1026-C1028 PolarHBondContact OD1-N 2.84Å; D1026-C1029 HydrophobicContact CB-CB 4.28Å; D1026-C1029 WeakPolarHBondContact O-CB 3.23Å; D1026-C1029 PolarHBondContact O-N 3.46Å; D1026-C1029 VanDerWaalsContact O-N 3.11Å; D1026-K1032 IonicContact OD1-NZ 3.47Å; D1026-K1032 IonicContact OD2-NZ 3.01Å; D1026-K1032 PolarHBondContact OD2-NZ 3.38Å
1027E90.6Very high89.6Confident181 Ų18158 Ų5885%0.84629%0.29SS*.THydrogen-bonded Turntrans-63-25.5179.7-61.8-175.3170.200112.6Q1025 C1029Q1025-E1027 PolarHBondContact O-N 3.01Å; E1027-C1029 VanDerWaalsContact C-N 3.28Å; E1027-C1029 PolarHBondContact O-N 2.67Å
1028C91.1Very high89.7Confident65 Ų6564.9 Ų64.944%0.43932%0.324SS..THydrogen-bonded Turntrans-84.80.2178.9-64.50000112.9D1026 Q1030 L1031 K1032D1026-C1028 PolarHBondContact O-N 2.91Å; D1026-C1028 WeakPolarHBondContact OD1-CB 3.45Å; D1026-C1028 PolarHBondContact OD1-N 2.84Å; C1028-Q1030 VanDerWaalsContact C-N 3.29Å; C1028-Q1030 PolarHBondContact O-N 3.2Å; C1028-L1031 PolarHBondContact O-N 2.81Å; C1028-L1031 VanDerWaalsContact O-N 3.13Å; C1028-K1032 WeakPolarHBondContact O-CG 3.48Å; C1028-K1032 PolarHBondContact O-N 2.76Å; C1028-K1032 VanDerWaalsContact O-N 3.12Å
1029C94.6Very high89.8Confident1 Ų164.6 Ų64.61%0.00733%0.328CS..Hα-helixtrans-57.1-39.1-176.3-173.60000113L953 D1026 E1027 K1032 L1033L953-C1029 HydrophobicContact CD1-CB 4.17Å; L953-C1029 HydrophobicContact CG-CB 4.33Å; D1026-C1029 HydrophobicContact CB-CB 4.28Å; D1026-C1029 WeakPolarHBondContact O-CB 3.23Å; D1026-C1029 PolarHBondContact O-N 3.46Å; D1026-C1029 VanDerWaalsContact O-N 3.11Å; E1027-C1029 VanDerWaalsContact C-N 3.28Å; E1027-C1029 PolarHBondContact O-N 2.67Å; C1029-K1032 PolarHBondContact O-N 3.46Å; C1029-L1033 WeakPolarHBondContact O-CG 3.38Å; C1029-L1033 PolarHBondContact O-N 2.91Å
1030Q94.4Very high90.2Very high40 Ų4059.5 Ų59.519%0.18730%0.303CS..Hα-helixtrans-62.9-46.2177.2-171.159.256.800111.3L953 S994 C1028 K1032 L1033 D1034L953-Q1030 HydrophobicContact CD2-CB 4.08Å; S994-Q1030 PolarHBondContact OG-NE2 2.94Å; S994-Q1030 PolarHBondContact OG-OE1 2.79Å; S994-Q1030 VanDerWaalsContact OG-OE1 3.11Å; C1028-Q1030 VanDerWaalsContact C-N 3.29Å; C1028-Q1030 PolarHBondContact O-N 3.2Å; Q1030-K1032 VanDerWaalsContact C-N 3.25Å; Q1030-K1032 PolarHBondContact O-N 3.3Å; Q1030-L1033 PolarHBondContact O-N 2.84Å; Q1030-L1033 VanDerWaalsContact O-N 3.13Å; Q1030-D1034 PolarHBondContact NE2-OD1 3.02Å; Q1030-D1034 PolarHBondContact O-N 3.02Å
1031L94.8Very high90.7Very high119 Ų11958.7 Ų58.762%0.62330%0.303SS*.Hα-helixtrans-60.4-37.5179.7-63.5174000111.7C1028 A1035C1028-L1031 PolarHBondContact O-N 2.81Å; C1028-L1031 VanDerWaalsContact O-N 3.13Å; L1031-A1035 WeakPolarHBondContact O-CB 3.47Å; L1031-A1035 PolarHBondContact O-N 3.46Å
1032K94.7Very high90.8Very high59 Ų5962.4 Ų62.426%0.25732%0.324SS..Hα-helixtrans-67.3-42.7175.9-64.9174-177.2-178.40112F800 D802 D1026 C1028 C1029 Q1030 A1035 M1036F800-K1032 WeakPolarHBondContact O-CB 3.38Å; D802-K1032 HydrophobicContact CB-CD 4.43Å; D802-K1032 WeakPolarHBondContact OD2-CE 3.32Å; D802-K1032 IonicContact OD2-NZ 3.5Å; D802-K1032 PolarHBondContact OD2-NZ 3.38Å; D1026-K1032 IonicContact OD1-NZ 3.47Å; D1026-K1032 IonicContact OD2-NZ 3.01Å; D1026-K1032 PolarHBondContact OD2-NZ 3.38Å; C1028-K1032 WeakPolarHBondContact O-CG 3.48Å; C1028-K1032 PolarHBondContact O-N 2.76Å; C1028-K1032 VanDerWaalsContact O-N 3.12Å; C1029-K1032 PolarHBondContact O-N 3.46Å; Q1030-K1032 VanDerWaalsContact C-N 3.25Å; Q1030-K1032 PolarHBondContact O-N 3.3Å; K1032-A1035 PolarHBondContact O-N 3.14Å; K1032-M1036 PolarHBondContact O-N 3.32Å
1033L94.8Very high90.8Very high1 Ų158.5 Ų58.51%0.00531%0.312CS..Hα-helixtrans-64.3-41.8175.6-71.1169.3000111.4L953 I996 F1001 C1029 Q1030 M1036 V1037L953-L1033 HydrophobicContact CD1-CD1 3.68Å; I996-L1033 HydrophobicContact CD1-CB 3.83Å; I996-L1033 HydrophobicContact CD1-CD1 4.5Å; F1001-L1033 HydrophobicContact CD1-CD1 4.06Å; F1001-L1033 HydrophobicContact CD2-CD1 4.37Å; F1001-L1033 HydrophobicContact CE1-CD1 3.78Å; F1001-L1033 HydrophobicContact CE2-CD1 4.12Å; F1001-L1033 HydrophobicContact CG-CD1 4.34Å; F1001-L1033 HydrophobicContact CZ-CD1 3.81Å; F1001-L1033 HydrophobicContact CZ-CD2 4.16Å; C1029-L1033 WeakPolarHBondContact O-CG 3.38Å; C1029-L1033 PolarHBondContact O-N 2.91Å; Q1030-L1033 PolarHBondContact O-N 2.84Å; Q1030-L1033 VanDerWaalsContact O-N 3.13Å; L1033-M1036 HydrophobicContact CD2-CE 3.99Å; L1033-M1036 WeakPolarHBondContact O-CB 3.41Å; L1033-M1036 PolarHBondContact O-N 3.09Å; L1033-V1037 WeakPolarHBondContact O-CG2 3.41Å; L1033-V1037 PolarHBondContact O-N 2.86Å
1034D94.1Very high90Very high64 Ų6462.2 Ų62.234%0.34234%0.336SS..Hα-helixtrans-63.7-42.8176.1-63.3-19.7000110.7Q1030 M1036 V1037 M1038Q1030-D1034 PolarHBondContact NE2-OD1 3.02Å; Q1030-D1034 PolarHBondContact O-N 3.02Å; D1034-M1036 PolarHBondContact O-N 3.1Å; D1034-V1037 PolarHBondContact O-N 3.24Å; D1034-M1038 WeakPolarHBondContact O-CG 3.39Å; D1034-M1038 PolarHBondContact O-N 3.43Å
1035A92.9Very high88.8Confident45 Ų4566 Ų6637%0.37235%0.349SS..Hα-helixtrans-60.7-43.1174.200000112.3L1031 K1032 V1037 M1038 S1039L1031-A1035 WeakPolarHBondContact O-CB 3.47Å; L1031-A1035 PolarHBondContact O-N 3.46Å; K1032-A1035 PolarHBondContact O-N 3.14Å; A1035-V1037 VanDerWaalsContact C-N 3.34Å; A1035-V1037 PolarHBondContact O-N 2.93Å; A1035-M1038 HydrophobicContact CB-CE 4.44Å; A1035-M1038 PolarHBondContact O-N 2.8Å; A1035-S1039 WeakPolarHBondContact O-CB 3.02Å; A1035-S1039 PolarHBondContact O-N 2.9Å; A1035-S1039 PolarHBondContact O-OG 3.02Å
1036M92.6Very high86.6Confident9 Ų972.5 Ų72.54%0.04438%0.382CS..Hα-helixtrans-58.1-46.5174.1178.5-168.166.600111.1M797 M814 I996 K1032 L1033 D1034 S1039 S1040M797-M1036 HydrophobicContact CG-CG 4.31Å; M797-M1036 HydrophobicContact CG-SD 3.55Å; M797-M1036 VanDerWaalsContact CG-SD 3.55Å; M797-M1036 HydrophobicContact SD-CB 4.44Å; M797-M1036 HydrophobicContact SD-CG 4.04Å; M797-M1036 HydrophobicContact SD-SD 3.76Å; M814-M1036 HydrophobicContact CB-CG 4.26Å; M814-M1036 HydrophobicContact CE-CE 4.15Å; M814-M1036 HydrophobicContact SD-CE 3.84Å; I996-M1036 HydrophobicContact CG2-CE 4.42Å; K1032-M1036 PolarHBondContact O-N 3.32Å; L1033-M1036 HydrophobicContact CD2-CE 3.99Å; L1033-M1036 WeakPolarHBondContact O-CB 3.41Å; L1033-M1036 PolarHBondContact O-N 3.09Å; D1034-M1036 PolarHBondContact O-N 3.1Å; M1036-S1039 WeakPolarHBondContact CA-OG 3.23Å; M1036-S1039 PolarHBondContact O-N 3.43Å; M1036-S1039 PolarHBondContact O-OG 3.03Å; M1036-S1040 PolarHBondContact O-N 2.8Å
1037V92.9Very high86.4Confident35 Ų3575.4 Ų75.421%0.21240%0.396CS..Hα-helixtrans-61.6-46.5177.6166.50000111.5M814 V819 I996 L1033 D1034 A1035 S1039 S1040M814-V1037 HydrophobicContact SD-CG2 4.37Å; V819-V1037 HydrophobicContact CG1-CG1 3.52Å; V819-V1037 HydrophobicContact CG1-CG2 4.43Å; V819-V1037 HydrophobicContact CG2-CG1 4.3Å; I996-V1037 HydrophobicContact CD1-CG2 4.08Å; I996-V1037 HydrophobicContact CG1-CG2 4.4Å; I996-V1037 HydrophobicContact CG2-CG2 3.69Å; L1033-V1037 WeakPolarHBondContact O-CG2 3.41Å; L1033-V1037 PolarHBondContact O-N 2.86Å; D1034-V1037 PolarHBondContact O-N 3.24Å; A1035-V1037 VanDerWaalsContact C-N 3.34Å; A1035-V1037 PolarHBondContact O-N 2.93Å; V1037-S1039 PolarHBondContact O-N 2.98Å; V1037-S1040 VanDerWaalsContact O-CB 3.26Å; V1037-S1040 WeakPolarHBondContact O-CB 3.5Å; V1037-S1040 PolarHBondContact O-N 2.82Å; V1037-S1040 VanDerWaalsContact O-N 3.17Å; V1037-S1040 PolarHBondContact O-OG 2.81Å
1038M91.9Very high86.2Confident144 Ų14469.8 Ų69.871%0.70937%0.373SS*.Hα-helixtrans-62.9-30.8177.3-70.6-172.9-64.100112.7D1034 A1035 S1040D1034-M1038 WeakPolarHBondContact O-CG 3.39Å; D1034-M1038 PolarHBondContact O-N 3.43Å; A1035-M1038 HydrophobicContact CB-CE 4.44Å; A1035-M1038 PolarHBondContact O-N 2.8Å; M1038-S1040 VanDerWaalsContact C-N 3.28Å; M1038-S1040 PolarHBondContact O-N 3.13Å
1039S89.5Confident85.9Confident65 Ų6570.1 Ų70.146%0.45537%0.369SS..THydrogen-bonded Turntrans-84.87.8177.972.90000114.7A1035 M1036 V1037A1035-S1039 WeakPolarHBondContact O-CB 3.02Å; A1035-S1039 PolarHBondContact O-N 2.9Å; A1035-S1039 PolarHBondContact O-OG 3.02Å; M1036-S1039 WeakPolarHBondContact CA-OG 3.23Å; M1036-S1039 PolarHBondContact O-N 3.43Å; M1036-S1039 PolarHBondContact O-OG 3.03Å; V1037-S1039 PolarHBondContact O-N 2.98Å
1040S90.3Very high85.4Confident24 Ų2474.1 Ų74.117%0.16839%0.39CS..  trans-61.6141.7-177.657.20000112.9M814 M1036 V1037 M1038M814-S1040 VanDerWaalsContact O-CA 3.23Å; M814-S1040 WeakPolarHBondContact O-CA 3.48Å; M814-S1040 WeakPolarHBondContact O-CB 3.26Å; M1036-S1040 PolarHBondContact O-N 2.8Å; V1037-S1040 VanDerWaalsContact O-CB 3.26Å; V1037-S1040 WeakPolarHBondContact O-CB 3.5Å; V1037-S1040 PolarHBondContact O-N 2.82Å; V1037-S1040 VanDerWaalsContact O-N 3.17Å; V1037-S1040 PolarHBondContact O-OG 2.81Å; M1038-S1040 VanDerWaalsContact C-N 3.28Å; M1038-S1040 PolarHBondContact O-N 3.13Å
1041K87.9Confident84.8Confident93 Ų9376.3 Ų76.340%0.40440%0.403SS..BIsolated β-bridgetrans-116159.6-177.4-59.6-171.3-172.9177.80110.8E784 V813 M814 W815 R816E784-K1041 IonicContact OE1-NZ 2.84Å; E784-K1041 PolarHBondContact OE1-NZ 3.03Å; V813-K1041 HydrophobicContact CG1-CB 3.91Å; V813-K1041 HydrophobicContact CG1-CD 3.9Å; V813-K1041 HydrophobicContact CG1-CG 3.72Å; M814-K1041 PolarHBondContact O-N 3.33Å; W815-K1041 CarbonylContact C-O 3.59Å; W815-K1041 VanDerWaalsContact CA-O 3.23Å; W815-K1041 WeakPolarHBondContact CA-O 3.18Å; R816-K1041 PolarHBondContact N-O 3.28Å
1042D85Confident84.2Confident101 Ų10173.4 Ų73.454%0.5439%0.388SS..  trans-67145.9172.1-66.3-44.7000110.6R816 P1044R816-D1042 VanDerWaalsContact CD-OD1 3.24Å; R816-D1042 WeakPolarHBondContact CD-OD1 3.49Å; R816-D1042 IonicContact CZ-OD1 2.96Å; R816-D1042 VanDerWaalsContact CZ-OD1 3.25Å; R816-D1042 IonicContact CZ-OD2 3.07Å; R816-D1042 VanDerWaalsContact CZ-OD2 3.29Å; R816-D1042 IonicContact NE-OD1 2.7Å; R816-D1042 PolarHBondContact NE-OD1 3.05Å; R816-D1042 IonicContact NH1-OD1 3.17Å; R816-D1042 PolarHBondContact NH1-OD1 3.4Å; R816-D1042 IonicContact NH1-OD2 3.03Å; R816-D1042 PolarHBondContact NH1-OD2 3.34Å; R816-D1042 IonicContact NH2-OD2 3.84Å; D1042-P1044 WeakPolarHBondContact O-CD 3.5Å
1043C78.3Confident83.4Confident23 Ų2374.4 Ų74.416%0.15540%0.398CS..  trans-70.2123.3176.1-1770000109.4W815 Y1045 M1046W815-C1043 HydrophobicContact CB-CB 4.42Å; W815-C1043 HydrophobicContact CD2-CB 3.81Å; W815-C1043 HydrophobicContact CE3-CB 4.15Å; W815-C1043 HydrophobicContact CG-CB 3.94Å; C1043-Y1045 PolarHBondContact O-N 3.4Å; C1043-M1046 HydrophobicContact CB-CG 4.25Å
1044P69.1Low82.6Confident93 Ų9380.1 Ų80.160%0.60443%0.428SS*.THydrogen-bonded Turntrans-74.7-2.3-17729.8-34.4000114D1042D1042-P1044 WeakPolarHBondContact O-CD 3.5Å
1045Y64.1Low81.6Confident141 Ų14181.4 Ų81.455%0.55344%0.435SS*.THydrogen-bonded Turntrans-116.218.7-177.3-53.7-71.5000113.1C1043C1043-Y1045 PolarHBondContact O-N 3.4Å
1046M44.6Very low80.6Confident204 Ų20484.7 Ų84.7100%1.00544%0.441SS*.  trans-87.80168.6-86.1-165.3171.700111.7D817 C1043D817-M1046 HydrophobicContact CB-CE 4.44Å; C1043-M1046 HydrophobicContact CB-CG 4.25Å

Retrieved 1,046 of 1,046 residues in 1190.3 ms (Link to these results)

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