A0A075BHV6_DROME Loading...

RNA helicase

AlphaFold DB , UniProt , Accession A0A075BHV6, Species DROME (Drosophila melanogaster, Fruit fly), Gene fs(1)Yb, Length 1,046 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M31Very low49.1Very low246 Ų246118.3 Ų118.3100%1.21266%0.658SS**  0115.20-93.3168.4158.300106.4
2E21.4Very low51.3Low178 Ų178117.8 Ų117.883%0.83264%0.644SS**PPolyproline II helixtrans-76.5154.5168.1-68.6177.514900109.4I4E2-I4 PolarHBondContact O-N 3.37Å
3P25.9Very low53.8Low130 Ų130118.8 Ų118.884%0.84464%0.639SS**PPolyproline II helixtrans-68.5116.8175.528.3-33.1000110G5P3-G5 PolarHBondContact O-N 3.23Å
4I32.9Very low55.6Low148 Ų148114.7 Ų114.776%0.75962%0.62SS**PPolyproline II helixtrans-68.7118.3174.1-59.3172.1000108E2 L7E2-I4 PolarHBondContact O-N 3.37Å; I4-L7 HydrophobicContact CG2-CD1 4.01Å
5G33.3Very low56.9Low57 Ų57113.9 Ų113.959%0.58862%0.619SS**PPolyproline II helixtrans-63.7160.2176.300000113.1P3 L7P3-G5 PolarHBondContact O-N 3.23Å; G5-L7 PolarHBondContact O-N 3.42Å; G5-L7 VanDerWaalsContact O-N 3.17Å
6D41.4Very low57.3Low106 Ų106111.4 Ų111.457%0.56761%0.614SS**PPolyproline II helixtrans-52119-179-84.3-48.2000111.9Q8 H38 K42D6-Q8 PolarHBondContact O-N 2.98Å; D6-H38 IonicContact OD1-CE1 2.68Å; D6-H38 PolarHBondContact OD1-CE1 3.07Å; D6-H38 IonicContact OD1-NE2 3.56Å; D6-H38 PolarHBondContact OD1-NE2 2.87Å; D6-K42 IonicContact OD1-NZ 2.66Å; D6-K42 PolarHBondContact OD1-NZ 3.16Å; D6-K42 IonicContact OD2-NZ 2.72Å
7L55.1Low57.6Low57 Ų57109.9 Ų109.930%0.29863%0.63SS.*  trans-68.398.7173.7-9085.6000109.9I4 G5 V9 D34I4-L7 HydrophobicContact CG2-CD1 4.01Å; G5-L7 PolarHBondContact O-N 3.42Å; G5-L7 VanDerWaalsContact O-N 3.17Å; L7-V9 PolarHBondContact O-N 2.72Å; L7-D34 HydrophobicContact CD2-CB 4.05Å
8Q60.8Low57.9Low192 Ų192107.9 Ų107.990%0.89764%0.636SS**  trans-75115167.2-68.3-167.10.100110.3D6D6-Q8 PolarHBondContact O-N 2.98Å
9V77.2Confident58.6Low27 Ų27104.8 Ų104.816%0.16462%0.619CS.*  trans-110.5136.1173.8174.10000108.7L7 S11 A24 P26 F35L7-V9 PolarHBondContact O-N 2.72Å; V9-S11 PolarHBondContact O-N 3.4Å; V9-A24 HydrophobicContact CG1-CB 4.14Å; V9-P26 HydrophobicContact CG1-CB 4.26Å; V9-P26 HydrophobicContact CG1-CG 3.97Å; V9-F35 HydrophobicContact CB-CD2 4.01Å; V9-F35 HydrophobicContact CB-CE2 4.05Å; V9-F35 HydrophobicContact CB-CG 4.49Å; V9-F35 HydrophobicContact CG2-CB 4.03Å; V9-F35 HydrophobicContact CG2-CD2 3.45Å; V9-F35 VanDerWaalsContact CG2-CD2 3.45Å; V9-F35 HydrophobicContact CG2-CE2 4.02Å; V9-F35 HydrophobicContact CG2-CG 3.79Å
10P79.5Confident59.5Low81 Ų81102.5 Ų102.553%0.52661%0.606SS.*  trans-55.2126.6172.7-24.634.2000111A24 S25P10-A24 WeakPolarHBondContact O-CA 3.5Å; P10-S25 PolarHBondContact O-N 2.85Å
11S81.6Confident60.6Low79 Ų7998 Ų9855%0.55258%0.579SS**EExtended strand (participates in β ladder)trans-145.6148.3180690000112.7V9 Y23V9-S11 PolarHBondContact O-N 3.4Å; S11-Y23 CarbonylContact C-O 3.49Å; S11-Y23 WeakPolarHBondContact CA-O 3.45Å; S11-Y23 WeakPolarHBondContact CB-O 3.45Å
12F76Confident63.3Low112 Ų11287 Ų8749%0.49153%0.525SS..EExtended strand (participates in β ladder)trans-136158.5174.565.2-85.7000110.6V14 T22 Y23F12-V14 HydrophobicContact CD2-CG2 3.77Å; F12-V14 HydrophobicContact CE2-CG2 3.61Å; F12-T22 CarbonylContact O-C 3.54Å; F12-T22 WeakPolarHBondContact O-CA 3.5Å; F12-Y23 HydrophobicContact CD2-CD2 4.34Å; F12-Y23 HydrophobicContact CE1-CG 4.24Å; F12-Y23 AromaticContact CE2-CD2 3.74Å; F12-Y23 HydrophobicContact CE2-CD2 3.74Å; F12-Y23 AromaticContact CE2-CG 3.92Å; F12-Y23 HydrophobicContact CE2-CG 3.92Å; F12-Y23 VanDerWaalsContact CZ-CB 3.48Å; F12-Y23 HydrophobicContact CZ-CD1 4.33Å; F12-Y23 HydrophobicContact CZ-CD2 4.01Å; F12-Y23 AromaticContact CZ-CG 3.69Å; F12-Y23 HydrophobicContact CZ-CG 3.69Å; F12-Y23 PolarHBondContact N-O 3.24Å; F12-Y23 PolarHBondContact O-N 3.07Å
13K83.6Confident66.2Low132 Ų13280.7 Ų80.757%0.57449%0.494SS*.EExtended strand (participates in β ladder)trans-114.6136.3-179.5-63.7-163.3177.6-150.30111.5T20 F21 T22 E144K13-T20 HydrophobicContact CB-CG2 4.32Å; K13-T20 HydrophobicContact CD-CG2 4.06Å; K13-F21 CarbonylContact C-O 3.56Å; K13-F21 VanDerWaalsContact CA-O 3.29Å; K13-F21 WeakPolarHBondContact CA-O 3.36Å; K13-T22 WeakPolarHBondContact CE-OG1 3.39Å; K13-T22 HydrophobicContact CG-CG2 4.23Å; K13-T22 PolarHBondContact NZ-OG1 2.94Å; K13-E144 IonicContact NZ-OE1 3.44Å; K13-E144 PolarHBondContact NZ-OE1 3.33Å
14V79.4Confident69Low61 Ų6174.5 Ų74.537%0.3745%0.454SS..EExtended strand (participates in β ladder)trans-125.7133.1175.6-176.70000108.5F12 F21 Y23F12-V14 HydrophobicContact CD2-CG2 3.77Å; F12-V14 HydrophobicContact CE2-CG2 3.61Å; V14-F21 PolarHBondContact N-O 3.13Å; V14-F21 PolarHBondContact O-N 2.83Å; V14-Y23 HydrophobicContact CB-CE2 4.13Å; V14-Y23 HydrophobicContact CG2-CD2 4.07Å; V14-Y23 HydrophobicContact CG2-CE2 3.98Å
15V73.9Confident71.5Confident102 Ų10269.8 Ų69.862%0.61843%0.434SS*.EExtended strand (participates in β ladder)trans-102.5120.7173.6-176.90000108.5T19 T20V15-T19 WeakPolarHBondContact CA-O 3.24Å; V15-T20 HydrophobicContact CG2-CG2 4.46Å
16S64.4Low73.8Confident75 Ų7567.1 Ų67.152%0.52441%0.407SS..EExtended strand (participates in β ladder)trans-137.9133.4177.2-173.20000110.1G18 T19S16-G18 PolarHBondContact O-N 3.13Å; S16-G18 VanDerWaalsContact O-N 3.1Å; S16-T19 PolarHBondContact N-O 3.16Å; S16-T19 PolarHBondContact O-N 3.42Å
17G61.4Low75.5Confident86 Ų8670.6 Ų70.689%0.88742%0.417SS*.THydrogen-bonded Turntrans57.324.6-178.800000115.1T19G17-T19 VanDerWaalsContact C-N 3.29Å; G17-T19 PolarHBondContact O-N 3.2Å
18G63.9Low76.6Confident73 Ų7370.6 Ų70.675%0.75342%0.421SS*.THydrogen-bonded Turntrans80.9-1.4-174.100000115.3S16S16-G18 PolarHBondContact O-N 3.13Å; S16-G18 VanDerWaalsContact O-N 3.1Å
19T71.4Confident77.3Confident49 Ų4964 Ų6430%0.30141%0.405SS..EExtended strand (participates in β ladder)trans-100.4139.4175.6-55.30000110.4V15 S16 G17 F21 M145V15-T19 WeakPolarHBondContact CA-O 3.24Å; S16-T19 PolarHBondContact N-O 3.16Å; S16-T19 PolarHBondContact O-N 3.42Å; G17-T19 VanDerWaalsContact C-N 3.29Å; G17-T19 PolarHBondContact O-N 3.2Å; T19-F21 HydrophobicContact CG2-CE2 4Å; T19-F21 HydrophobicContact CG2-CZ 4.14Å; T19-M145 HydrophobicContact CG2-CB 4.41Å; T19-M145 HydrophobicContact CG2-CE 4.23Å; T19-M145 HydrophobicContact CG2-CG 3.44Å; T19-M145 VanDerWaalsContact CG2-CG 3.44Å
20T76.3Confident77.4Confident58 Ų5865.2 Ų65.236%0.35642%0.417SS..EExtended strand (participates in β ladder)trans-96.2119.5176.4-57.80000110.3K13 V15 M145K13-T20 HydrophobicContact CB-CG2 4.32Å; K13-T20 HydrophobicContact CD-CG2 4.06Å; V15-T20 HydrophobicContact CG2-CG2 4.46Å; T20-M145 PolarHBondContact O-N 3.16Å
21F82.6Confident77.4Confident10 Ų1062.5 Ų62.54%0.04440%0.402CS..EExtended strand (participates in β ladder)trans-100.1120.6173.4-65-93.1000109.6K13 V14 T19 Y23 F129 L133 M145 V147K13-F21 CarbonylContact C-O 3.56Å; K13-F21 VanDerWaalsContact CA-O 3.29Å; K13-F21 WeakPolarHBondContact CA-O 3.36Å; V14-F21 PolarHBondContact N-O 3.13Å; V14-F21 PolarHBondContact O-N 2.83Å; T19-F21 HydrophobicContact CG2-CE2 4Å; T19-F21 HydrophobicContact CG2-CZ 4.14Å; F21-Y23 HydrophobicContact CB-CD2 4.16Å; F21-Y23 HydrophobicContact CB-CE2 3.56Å; F21-Y23 HydrophobicContact CG-CE2 4.43Å; F21-F129 HydrophobicContact CE1-CZ 4.43Å; F21-L133 HydrophobicContact CE1-CD2 3.75Å; F21-L133 HydrophobicContact CZ-CD1 4.05Å; F21-L133 HydrophobicContact CZ-CD2 3.65Å; F21-M145 CarbonylContact C-O 3.57Å; F21-M145 WeakPolarHBondContact CA-O 3.49Å; F21-M145 HydrophobicContact CD1-CB 3.36Å; F21-M145 HydrophobicContact CD1-CG 3.95Å; F21-M145 HydrophobicContact CE1-CB 3.58Å; F21-M145 HydrophobicContact CE1-CG 3.62Å; F21-M145 HydrophobicContact CE1-SD 4.37Å; F21-M145 HydrophobicContact CG-CB 4Å; F21-M145 HydrophobicContact CZ-CB 4.38Å; F21-M145 HydrophobicContact CZ-CG 4.06Å; F21-V147 HydrophobicContact CD1-CG2 4.07Å
22T86.7Confident77.5Confident13 Ų1359.4 Ų59.48%0.0838%0.38CS..EExtended strand (participates in β ladder)trans-92.5116.6165.6-53.50000107.7F12 K13 M145 L146 V147F12-T22 CarbonylContact O-C 3.54Å; F12-T22 WeakPolarHBondContact O-CA 3.5Å; K13-T22 WeakPolarHBondContact CE-OG1 3.39Å; K13-T22 HydrophobicContact CG-CG2 4.23Å; K13-T22 PolarHBondContact NZ-OG1 2.94Å; T22-M145 PolarHBondContact N-O 3.06Å; T22-L146 HydrophobicContact CG2-CD1 4.13Å; T22-L146 CarbonylContact O-C 3.6Å; T22-L146 WeakPolarHBondContact O-CA 3.39Å; T22-L146 WeakPolarHBondContact O-CD1 3.48Å; T22-V147 PolarHBondContact O-N 3.38Å
23Y83.5Confident78Confident46 Ų4655.4 Ų55.418%0.1836%0.364CS..EExtended strand (participates in β ladder)trans-92.6128.8171.2-70.6-96.6000108.3S11 F12 V14 F21 V147 T149S11-Y23 CarbonylContact C-O 3.49Å; S11-Y23 WeakPolarHBondContact CA-O 3.45Å; S11-Y23 WeakPolarHBondContact CB-O 3.45Å; F12-Y23 HydrophobicContact CD2-CD2 4.34Å; F12-Y23 HydrophobicContact CE1-CG 4.24Å; F12-Y23 AromaticContact CE2-CD2 3.74Å; F12-Y23 HydrophobicContact CE2-CD2 3.74Å; F12-Y23 AromaticContact CE2-CG 3.92Å; F12-Y23 HydrophobicContact CE2-CG 3.92Å; F12-Y23 VanDerWaalsContact CZ-CB 3.48Å; F12-Y23 HydrophobicContact CZ-CD1 4.33Å; F12-Y23 HydrophobicContact CZ-CD2 4.01Å; F12-Y23 AromaticContact CZ-CG 3.69Å; F12-Y23 HydrophobicContact CZ-CG 3.69Å; F12-Y23 PolarHBondContact N-O 3.24Å; F12-Y23 PolarHBondContact O-N 3.07Å; V14-Y23 HydrophobicContact CB-CE2 4.13Å; V14-Y23 HydrophobicContact CG2-CD2 4.07Å; V14-Y23 HydrophobicContact CG2-CE2 3.98Å; F21-Y23 HydrophobicContact CB-CD2 4.16Å; F21-Y23 HydrophobicContact CB-CE2 3.56Å; F21-Y23 HydrophobicContact CG-CE2 4.43Å; Y23-V147 WeakPolarHBondContact CA-O 3.37Å; Y23-V147 HydrophobicContact CD1-CB 3.66Å; Y23-V147 HydrophobicContact CD1-CG1 3.66Å; Y23-V147 HydrophobicContact CD1-CG2 4.3Å; Y23-V147 HydrophobicContact CE1-CB 3.77Å; Y23-V147 HydrophobicContact CE1-CG1 3.63Å; Y23-V147 HydrophobicContact CE1-CG2 3.97Å; Y23-V147 HydrophobicContact CG-CB 4.24Å; Y23-T149 HydrophobicContact CD1-CG2 4.13Å
24A85.3Confident78.1Confident0 Ų052.4 Ų52.40%035%0.354CS..EExtended strand (participates in β ladder)trans-121131.7174.900000109.3V9 P10 P26 F35 L146 V147 T149V9-A24 HydrophobicContact CG1-CB 4.14Å; P10-A24 WeakPolarHBondContact O-CA 3.5Å; A24-P26 VanDerWaalsContact O-CD 3.3Å; A24-P26 WeakPolarHBondContact O-CD 3.48Å; A24-F35 HydrophobicContact CB-CE1 3.82Å; A24-F35 HydrophobicContact CB-CZ 4.05Å; A24-L146 HydrophobicContact CB-CD1 4.15Å; A24-V147 PolarHBondContact N-O 2.97Å; A24-T149 PolarHBondContact O-N 3.44Å; A24-T149 PolarHBondContact O-OG1 3.27Å
25S83.6Confident78.4Confident49 Ų4950.9 Ų50.934%0.34334%0.342SS..  trans-11683.5-177.5-58.10000111.3P10 T149P10-S25 PolarHBondContact O-N 2.85Å; S25-T149 WeakPolarHBondContact CA-OG1 3.26Å; S25-T149 PolarHBondContact OG-OG1 3Å
26P83.1Confident79.1Confident2 Ų246.1 Ų46.11%0.01331%0.314CS..  trans-68146.3174.8-14.629.7000111.5V9 A24 S28 A31 S32 F35 I148 C151V9-P26 HydrophobicContact CG1-CB 4.26Å; V9-P26 HydrophobicContact CG1-CG 3.97Å; A24-P26 VanDerWaalsContact O-CD 3.3Å; A24-P26 WeakPolarHBondContact O-CD 3.48Å; P26-S28 PolarHBondContact O-N 2.8Å; P26-S28 VanDerWaalsContact O-N 3.15Å; P26-A31 HydrophobicContact CB-CB 4.13Å; P26-S32 WeakPolarHBondContact CB-OG 3.43Å; P26-S32 WeakPolarHBondContact CG-OG 3.18Å; P26-F35 HydrophobicContact CG-CD1 4.5Å; P26-I148 HydrophobicContact CG-CG2 4.11Å; P26-C151 WeakPolarHBondContact O-CB 3.5Å
27K75.7Confident80.1Confident179 Ų17942.6 Ų42.678%0.77829%0.289SS*.SBendtrans-70.4-8.5-173-61.2-176.9178.9-178.40115.5
28S78Confident81.3Confident57 Ų5740.6 Ų40.640%0.39926%0.256SS..SBendtrans-165.7160.5179710000110.4P26 A30 A31 S32P26-S28 PolarHBondContact O-N 2.8Å; P26-S28 VanDerWaalsContact O-N 3.15Å; S28-A30 PolarHBondContact O-N 3.24Å; S28-A31 CarbonylContact O-C 3.56Å; S28-A31 WeakPolarHBondContact O-CB 3.08Å; S28-A31 PolarHBondContact O-N 2.93Å; S28-A31 PolarHBondContact OG-N 2.85Å; S28-S32 PolarHBondContact O-N 3.03Å; S28-S32 PolarHBondContact O-OG 2.89Å
29G77.2Confident82.2Confident53 Ų5338 Ų3855%0.54623%0.226SC..Hα-helixtrans-58.9-31.5176.800000114.1S32 L33G29-S32 PolarHBondContact O-N 2.61Å; G29-L33 WeakPolarHBondContact O-CG 3.32Å; G29-L33 PolarHBondContact O-N 2.85Å
30A78.4Confident82.9Confident52 Ų5236.7 Ų36.743%0.4322%0.217SC..Hα-helixtrans-67.5-46.6172.600000111.2S28 S32 L33 D34S28-A30 PolarHBondContact O-N 3.24Å; A30-S32 VanDerWaalsContact C-N 3.26Å; A30-S32 PolarHBondContact O-N 2.77Å; A30-L33 PolarHBondContact O-N 3.27Å; A30-L33 VanDerWaalsContact O-N 3.12Å; A30-D34 VanDerWaalsContact O-CG 3.27Å; A30-D34 PolarHBondContact O-N 3.07Å
31A79.7Confident83.1Confident24 Ų2440.7 Ų40.720%0.19823%0.226CC..Hα-helixtrans-62.3-32.1175.400000112.4P26 S28 F35P26-A31 HydrophobicContact CB-CB 4.13Å; S28-A31 CarbonylContact O-C 3.56Å; S28-A31 WeakPolarHBondContact O-CB 3.08Å; S28-A31 PolarHBondContact O-N 2.93Å; S28-A31 PolarHBondContact OG-N 2.85Å; A31-F35 WeakPolarHBondContact O-CB 3.45Å; A31-F35 PolarHBondContact O-N 3.26Å
32S83.5Confident82.8Confident15 Ų1546.6 Ų46.611%0.10525%0.251CS..Hα-helixtrans-63-42.9172.6-56.30000112.5P26 S28 G29 A30 L36P26-S32 WeakPolarHBondContact CB-OG 3.43Å; P26-S32 WeakPolarHBondContact CG-OG 3.18Å; S28-S32 PolarHBondContact O-N 3.03Å; S28-S32 PolarHBondContact O-OG 2.89Å; G29-S32 PolarHBondContact O-N 2.61Å; A30-S32 VanDerWaalsContact C-N 3.26Å; A30-S32 PolarHBondContact O-N 2.77Å; S32-L36 WeakPolarHBondContact O-CB 3.44Å; S32-L36 PolarHBondContact O-N 3.37Å
33L87.4Confident81.9Confident27 Ų2749 Ų4914%0.14126%0.259CS..Hα-helixtrans-72.6-35.9178.6-67.8165.4000112.1G29 A30 A37 L63 E66G29-L33 WeakPolarHBondContact O-CG 3.32Å; G29-L33 PolarHBondContact O-N 2.85Å; A30-L33 PolarHBondContact O-N 3.27Å; A30-L33 VanDerWaalsContact O-N 3.12Å; L33-A37 VanDerWaalsContact O-CB 3.29Å; L33-A37 WeakPolarHBondContact O-CB 3.41Å; L33-A37 PolarHBondContact O-N 3.37Å; L33-L63 HydrophobicContact CD2-CD1 3.7Å; L33-E66 HydrophobicContact CD1-CB 3.96Å; L33-E66 HydrophobicContact CD1-CG 3.96Å; L33-E66 WeakPolarHBondContact CD1-OE2 3.48Å; L33-E66 HydrophobicContact CD2-CB 3.89Å; L33-E66 HydrophobicContact CD2-CG 4.49Å
34D83.9Confident80.5Confident69 Ų6953.5 Ų53.537%0.36928%0.282SS..Hα-helixtrans-69.7-42.3175.8-64-22.5000111.6L7 A30 A37 H38 R70L7-D34 HydrophobicContact CD2-CB 4.05Å; A30-D34 VanDerWaalsContact O-CG 3.27Å; A30-D34 PolarHBondContact O-N 3.07Å; D34-A37 PolarHBondContact O-N 2.93Å; D34-H38 WeakPolarHBondContact O-CB 3.4Å; D34-H38 PolarHBondContact O-N 2.81Å; D34-R70 IonicContact OD1-CZ 3.8Å; D34-R70 IonicContact OD1-NE 3.85Å; D34-R70 PolarHBondContact OD1-NE 3.32Å; D34-R70 IonicContact OD1-NH2 2.71Å; D34-R70 PolarHBondContact OD1-NH2 2.75Å
35F86.3Confident79Confident29 Ų2956.4 Ų56.413%0.12731%0.306CS..Hα-helixtrans-59.6-49.9171.1173.6-109.1000111V9 A24 P26 A31 A37 H38 T39 L146 I148V9-F35 HydrophobicContact CB-CD2 4.01Å; V9-F35 HydrophobicContact CB-CE2 4.05Å; V9-F35 HydrophobicContact CB-CG 4.49Å; V9-F35 HydrophobicContact CG2-CB 4.03Å; V9-F35 HydrophobicContact CG2-CD2 3.45Å; V9-F35 VanDerWaalsContact CG2-CD2 3.45Å; V9-F35 HydrophobicContact CG2-CE2 4.02Å; V9-F35 HydrophobicContact CG2-CG 3.79Å; A24-F35 HydrophobicContact CB-CE1 3.82Å; A24-F35 HydrophobicContact CB-CZ 4.05Å; P26-F35 HydrophobicContact CG-CD1 4.5Å; A31-F35 WeakPolarHBondContact O-CB 3.45Å; A31-F35 PolarHBondContact O-N 3.26Å; F35-A37 PolarHBondContact O-N 2.94Å; F35-H38 CarbonylContact O-C 3.59Å; F35-H38 WeakPolarHBondContact O-CB 3.44Å; F35-H38 PolarHBondContact O-N 3.39Å; F35-H38 VanDerWaalsContact O-N 3.11Å; F35-T39 PolarHBondContact O-N 3.43Å; F35-T39 PolarHBondContact O-OG1 3.04Å; F35-L146 HydrophobicContact CE1-CD2 4.3Å; F35-I148 HydrophobicContact CD1-CD1 4.3Å
36L88.3Confident77.5Confident3 Ų360.2 Ų60.22%0.01632%0.322CS..Hα-helixtrans-59.9-44.2179-175.860.8000112.2S32 H38 T39 L40 L52 L63 L67 I119 T121 I148S32-L36 WeakPolarHBondContact O-CB 3.44Å; S32-L36 PolarHBondContact O-N 3.37Å; L36-H38 VanDerWaalsContact C-N 3.34Å; L36-H38 PolarHBondContact O-N 3.32Å; L36-T39 PolarHBondContact O-N 3Å; L36-L40 HydrophobicContact CD1-CD1 4.23Å; L36-L40 HydrophobicContact CD1-CG 4.46Å; L36-L40 HydrophobicContact CG-CD1 4.08Å; L36-L40 WeakPolarHBondContact O-CB 3.15Å; L36-L40 VanDerWaalsContact O-CG 3.27Å; L36-L40 WeakPolarHBondContact O-CG 3.27Å; L36-L40 PolarHBondContact O-N 2.81Å; L36-L52 HydrophobicContact CD1-CD2 3.75Å; L36-L52 HydrophobicContact CD2-CD2 4.02Å; L36-L52 HydrophobicContact CG-CD2 4.28Å; L36-L63 HydrophobicContact CD2-CD1 3.73Å; L36-L67 HydrophobicContact CD2-CD1 4.19Å; L36-L67 HydrophobicContact CD2-CD2 4.12Å; L36-L67 HydrophobicContact CG-CD2 4.11Å; L36-I119 HydrophobicContact CD1-CD1 3.57Å; L36-I119 HydrophobicContact CD1-CG2 3.9Å; L36-T121 HydrophobicContact CD2-CG2 3.97Å; L36-I148 HydrophobicContact CB-CD1 4.18Å; L36-I148 HydrophobicContact CD1-CD1 3.96Å; L36-I148 HydrophobicContact CG-CD1 4.47Å
37A86.9Confident76.3Confident1 Ų164.3 Ų64.31%0.00835%0.348CS..Hα-helixtrans-63.1-40.717500000111.6L33 D34 F35 L40 R41 L67 R70 V72L33-A37 VanDerWaalsContact O-CB 3.29Å; L33-A37 WeakPolarHBondContact O-CB 3.41Å; L33-A37 PolarHBondContact O-N 3.37Å; D34-A37 PolarHBondContact O-N 2.93Å; F35-A37 PolarHBondContact O-N 2.94Å; A37-L40 PolarHBondContact O-N 3.44Å; A37-R41 WeakPolarHBondContact O-CB 3.44Å; A37-R41 VanDerWaalsContact O-CG 3.28Å; A37-R41 WeakPolarHBondContact O-CG 3.28Å; A37-R41 PolarHBondContact O-N 3.38Å; A37-L67 HydrophobicContact CB-CD2 4.16Å; A37-R70 HydrophobicContact CB-CB 3.78Å; A37-R70 HydrophobicContact CB-CG 4.43Å; A37-V72 HydrophobicContact CB-CG2 3.89Å
38H84.8Confident76Confident43 Ų4359.2 Ų59.220%0.19933%0.326CS..Hα-helixtrans-63.2-45.6174179.193.7000112D6 D34 F35 L36 L40 R41 K42D6-H38 IonicContact OD1-CE1 2.68Å; D6-H38 PolarHBondContact OD1-CE1 3.07Å; D6-H38 IonicContact OD1-NE2 3.56Å; D6-H38 PolarHBondContact OD1-NE2 2.87Å; D34-H38 WeakPolarHBondContact O-CB 3.4Å; D34-H38 PolarHBondContact O-N 2.81Å; F35-H38 CarbonylContact O-C 3.59Å; F35-H38 WeakPolarHBondContact O-CB 3.44Å; F35-H38 PolarHBondContact O-N 3.39Å; F35-H38 VanDerWaalsContact O-N 3.11Å; L36-H38 VanDerWaalsContact C-N 3.34Å; L36-H38 PolarHBondContact O-N 3.32Å; H38-L40 VanDerWaalsContact C-N 3.32Å; H38-L40 PolarHBondContact O-N 2.84Å; H38-R41 PolarHBondContact O-N 3.21Å; H38-K42 WeakPolarHBondContact NE2-CD 3.25Å; H38-K42 VanDerWaalsContact O-CB 3.28Å; H38-K42 WeakPolarHBondContact O-CB 3.44Å; H38-K42 PolarHBondContact O-N 2.81Å
39T84.4Confident76.3Confident18 Ų1858.7 Ų58.711%0.1132%0.317CS..Hα-helixtrans-57.1-44.4175.7-530000111.8F35 L36 R43 L117 L146F35-T39 PolarHBondContact O-N 3.43Å; F35-T39 PolarHBondContact O-OG1 3.04Å; L36-T39 PolarHBondContact O-N 3Å; T39-R43 PolarHBondContact O-N 2.9Å; T39-L117 HydrophobicContact CG2-CD2 4.42Å; T39-L146 HydrophobicContact CG2-CD2 4.29Å
40L85.4Confident76.8Confident23 Ų2356.5 Ų56.512%0.1229%0.293CS..Hα-helixtrans-73.6-24.4-179.5-67.6171.3000113.7L36 A37 H38 T50 L52 L67 V72 A99 I119L36-L40 HydrophobicContact CD1-CD1 4.23Å; L36-L40 HydrophobicContact CD1-CG 4.46Å; L36-L40 HydrophobicContact CG-CD1 4.08Å; L36-L40 WeakPolarHBondContact O-CB 3.15Å; L36-L40 VanDerWaalsContact O-CG 3.27Å; L36-L40 WeakPolarHBondContact O-CG 3.27Å; L36-L40 PolarHBondContact O-N 2.81Å; A37-L40 PolarHBondContact O-N 3.44Å; H38-L40 VanDerWaalsContact C-N 3.32Å; H38-L40 PolarHBondContact O-N 2.84Å; L40-T50 HydrophobicContact CD2-CG2 3.67Å; L40-L52 HydrophobicContact CD1-CD1 4.07Å; L40-L52 HydrophobicContact CD1-CD2 4.31Å; L40-L67 HydrophobicContact CD1-CD1 3.97Å; L40-L67 HydrophobicContact CD1-CD2 4.2Å; L40-V72 HydrophobicContact CB-CG1 3.84Å; L40-V72 HydrophobicContact CD1-CG1 3.83Å; L40-V72 HydrophobicContact CG-CG1 4.47Å; L40-A99 HydrophobicContact CD2-CB 3.88Å; L40-I119 HydrophobicContact CD2-CD1 4.26Å
41R81.2Confident77.3Confident141 Ų14154 Ų5453%0.53227%0.273SS..Hα-helixtrans-85.1-30.5173.2-69.5-174.9-148.5131.4-13.7113.5A37 H38 R70 V72A37-R41 WeakPolarHBondContact O-CB 3.44Å; A37-R41 VanDerWaalsContact O-CG 3.28Å; A37-R41 WeakPolarHBondContact O-CG 3.28Å; A37-R41 PolarHBondContact O-N 3.38Å; H38-R41 PolarHBondContact O-N 3.21Å; R41-R70 PolarHBondContact NE-O 3.12Å; R41-R70 PolarHBondContact NH2-O 3.24Å; R41-V72 HydrophobicContact CG-CG2 3.93Å
42K75.2Confident77.9Confident134 Ų13452.9 Ų52.958%0.58326%0.263SS*.Hα-helixtrans-76.7-25.5-177.2-171164.3-171.4164.30112.8D6 H38D6-K42 IonicContact OD1-NZ 2.66Å; D6-K42 PolarHBondContact OD1-NZ 3.16Å; D6-K42 IonicContact OD2-NZ 2.72Å; H38-K42 WeakPolarHBondContact NE2-CD 3.25Å; H38-K42 VanDerWaalsContact O-CB 3.28Å; H38-K42 WeakPolarHBondContact O-CB 3.44Å; H38-K42 PolarHBondContact O-N 2.81Å
43R67.6Low78.2Confident63 Ų6352.2 Ų52.224%0.23826%0.258CS..SBendtrans-85135.2171.3-71.2169.1177.7-1088.9109.6T39 A45 E48 E144T39-R43 PolarHBondContact O-N 2.9Å; R43-A45 PolarHBondContact O-N 2.89Å; R43-A45 VanDerWaalsContact O-N 3.11Å; R43-E48 WeakPolarHBondContact CD-OE2 3.32Å; R43-E48 VanDerWaalsContact CG-OE2 3.27Å; R43-E48 WeakPolarHBondContact CG-OE2 3.34Å; R43-E48 IonicContact CZ-OE2 3.58Å; R43-E48 IonicContact NE-OE2 3.58Å; R43-E48 IonicContact NH1-OE1 3.54Å; R43-E48 IonicContact NH1-OE2 2.7Å; R43-E48 PolarHBondContact NH1-OE2 3.23Å; R43-E144 IonicContact CZ-OE2 3.82Å; R43-E144 IonicContact NH1-OE2 3.68Å; R43-E144 IonicContact NH2-OE2 2.67Å; R43-E144 PolarHBondContact NH2-OE2 3.49Å
44E54.2Low78.4Confident141 Ų14151 Ų5166%0.65925%0.252SS*.  trans-66111.8-178.9-74.2-174.4166.800110.6N46 T47 E48E44-N46 PolarHBondContact O-N 2.95Å; E44-T47 WeakPolarHBondContact CB-OG1 3.21Å; E44-T47 PolarHBondContact O-N 3.28Å; E44-T47 VanDerWaalsContact O-N 3.08Å; E44-T47 PolarHBondContact O-OG1 3.1Å; E44-T47 PolarHBondContact OE2-OG1 3.4Å; E44-E48 PolarHBondContact O-N 3.19Å
45A53.9Low78.6Confident62 Ų6250.5 Ų50.551%0.51225%0.248SC..THydrogen-bonded Turntrans-56.5-20.3-176.100000114.2R43 N97R43-A45 PolarHBondContact O-N 2.89Å; R43-A45 VanDerWaalsContact O-N 3.11Å; A45-N97 VanDerWaalsContact O-CB 3.27Å; A45-N97 WeakPolarHBondContact O-CB 3.47Å
46N52.5Low78.5Confident128 Ų12853.9 Ų53.968%0.68426%0.264SS*.THydrogen-bonded Turntrans-90.1-5.8-177.8-70-26.6000115.2E44 N97E44-N46 PolarHBondContact O-N 2.95Å; N46-N97 PolarHBondContact OD1-ND2 3.04Å
47T57.3Low78.3Confident89 Ų8955.9 Ų55.955%0.54628%0.275SS..THydrogen-bonded Turntrans-127.4-27.8-173.347.10000114.2E44E44-T47 WeakPolarHBondContact CB-OG1 3.21Å; E44-T47 PolarHBondContact O-N 3.28Å; E44-T47 VanDerWaalsContact O-N 3.08Å; E44-T47 PolarHBondContact O-OG1 3.1Å; E44-T47 PolarHBondContact OE2-OG1 3.4Å
48E70.1Confident78.1Confident71 Ų7161.6 Ų61.633%0.33230%0.299SS..  trans-110.9118.3-178.6-66.4-170.3179.900114.1R43 E44 T50 N116R43-E48 WeakPolarHBondContact CD-OE2 3.32Å; R43-E48 VanDerWaalsContact CG-OE2 3.27Å; R43-E48 WeakPolarHBondContact CG-OE2 3.34Å; R43-E48 IonicContact CZ-OE2 3.58Å; R43-E48 IonicContact NE-OE2 3.58Å; R43-E48 IonicContact NH1-OE1 3.54Å; R43-E48 IonicContact NH1-OE2 2.7Å; R43-E48 PolarHBondContact NH1-OE2 3.23Å; E44-E48 PolarHBondContact O-N 3.19Å; E48-T50 PolarHBondContact O-N 2.73Å; E48-N116 HydrophobicContact CB-CB 4.28Å; E48-N116 HydrophobicContact CG-CB 4.47Å
49K82.9Confident78.2Confident46 Ų4661 Ų6120%0.230%0.297CS..  trans-80.4107.3174.2-72.8170.8-169.8161.40110.4W91 S92 E114 N116 L117K49-W91 HydrophobicContact CB-CH2 3.72Å; K49-W91 HydrophobicContact CB-CZ2 3.79Å; K49-W91 HydrophobicContact CB-CZ3 4.47Å; K49-W91 HydrophobicContact CG-CH2 4.34Å; K49-W91 HydrophobicContact CG-CZ2 4.28Å; K49-S92 PolarHBondContact NZ-O 3.45Å; K49-E114 WeakPolarHBondContact CD-O 3.33Å; K49-N116 PolarHBondContact N-OD1 2.95Å; K49-N116 PolarHBondContact O-N 3.29Å; K49-L117 PolarHBondContact O-N 3.33Å
50T87.8Confident78.3Confident8 Ų860.1 Ų60.15%0.04929%0.292CS..EExtended strand (participates in β ladder)trans-104.2134.4178.9-59.60000112.4L40 E48 A99 L100 L117 I119L40-T50 HydrophobicContact CD2-CG2 3.67Å; E48-T50 PolarHBondContact O-N 2.73Å; T50-A99 HydrophobicContact CG2-CB 4.43Å; T50-A99 WeakPolarHBondContact O-CA 3.35Å; T50-L100 PolarHBondContact O-N 3.14Å; T50-L117 CarbonylContact C-O 3.59Å; T50-L117 WeakPolarHBondContact CA-O 3.38Å; T50-L117 HydrophobicContact CG2-CB 4.2Å; T50-L117 HydrophobicContact CG2-CD2 3.85Å; T50-L117 HydrophobicContact CG2-CG 4.13Å; T50-I119 HydrophobicContact CG2-CD1 3.87Å; T50-I119 HydrophobicContact CG2-CG1 4.08Å
51I90.1Very high78.3Confident0 Ų064.1 Ų64.10%031%0.309CS..EExtended strand (participates in β ladder)trans-110.7138.9173.5-60.5-173.5000109.8I53 W91 L100 L102 L110 V113 A115 L117 V118 I119I51-I53 HydrophobicContact CG2-CD1 4.35Å; I51-I53 HydrophobicContact CG2-CG1 3.85Å; I51-W91 HydrophobicContact CD1-CH2 3.81Å; I51-W91 HydrophobicContact CD1-CZ3 4.16Å; I51-W91 HydrophobicContact CG1-CH2 3.48Å; I51-W91 VanDerWaalsContact CG1-CH2 3.48Å; I51-W91 HydrophobicContact CG1-CZ2 4.03Å; I51-W91 HydrophobicContact CG1-CZ3 4.29Å; I51-L100 CarbonylContact C-O 3.6Å; I51-L100 WeakPolarHBondContact CA-O 3.08Å; I51-L102 HydrophobicContact CG2-CD1 3.33Å; I51-L102 HydrophobicContact CG2-CG 4.04Å; I51-L110 HydrophobicContact CD1-CD2 4.01Å; I51-V113 HydrophobicContact CD1-CG2 4.41Å; I51-A115 HydrophobicContact CD1-CB 3.64Å; I51-A115 HydrophobicContact CG1-CB 3.9Å; I51-L117 PolarHBondContact N-O 3.17Å; I51-V118 HydrophobicContact CB-CG2 4.32Å; I51-V118 WeakPolarHBondContact O-CA 3.45Å; I51-I119 PolarHBondContact O-N 2.8Å
52L91.9Very high78.6Confident0 Ų065.2 Ų65.20%031%0.314CS..EExtended strand (participates in β ladder)trans-118.9118.9178.7-69.4152.7000107.8L36 L40 L63 L67 T74 A99 L100 I101 L102 I119 T121L36-L52 HydrophobicContact CD1-CD2 3.75Å; L36-L52 HydrophobicContact CD2-CD2 4.02Å; L36-L52 HydrophobicContact CG-CD2 4.28Å; L40-L52 HydrophobicContact CD1-CD1 4.07Å; L40-L52 HydrophobicContact CD1-CD2 4.31Å; L52-L63 HydrophobicContact CB-CD2 4.35Å; L52-L63 HydrophobicContact CD2-CD2 4.5Å; L52-L67 HydrophobicContact CD1-CD1 4.13Å; L52-T74 HydrophobicContact CD1-CG2 4.17Å; L52-A99 HydrophobicContact CD1-CB 3.75Å; L52-L100 PolarHBondContact N-O 3.23Å; L52-I101 HydrophobicContact CB-CB 4.37Å; L52-I101 HydrophobicContact CB-CG1 3.95Å; L52-I101 HydrophobicContact CB-CG2 4.45Å; L52-I101 HydrophobicContact CD1-CD1 4.36Å; L52-I101 HydrophobicContact CD1-CG1 3.65Å; L52-I101 HydrophobicContact CG-CG1 4.44Å; L52-I101 CarbonylContact O-C 3.36Å; L52-I101 WeakPolarHBondContact O-CA 3.17Å; L52-L102 PolarHBondContact O-N 2.99Å; L52-I119 WeakPolarHBondContact CA-O 3.5Å; L52-I119 HydrophobicContact CD2-CB 4.02Å; L52-I119 HydrophobicContact CD2-CD1 4.02Å; L52-I119 HydrophobicContact CD2-CG1 4.45Å; L52-I119 HydrophobicContact CD2-CG2 4.38Å; L52-T121 HydrophobicContact CD2-CG2 4Å
53I90.9Very high79.3Confident0 Ų059.5 Ų59.50%029%0.289CS..EExtended strand (participates in β ladder)trans-114.7117.4-175.5-51.7175.8000110.2I51 L102 L107 V118 I119 T121 L136I51-I53 HydrophobicContact CG2-CD1 4.35Å; I51-I53 HydrophobicContact CG2-CG1 3.85Å; I53-L102 HydrophobicContact CG1-CD1 4.44Å; I53-L107 HydrophobicContact CD1-CD2 4.14Å; I53-V118 HydrophobicContact CD1-CG1 3.43Å; I53-V118 VanDerWaalsContact CD1-CG1 3.43Å; I53-V118 HydrophobicContact CG1-CG1 4.1Å; I53-I119 PolarHBondContact N-O 3.32Å; I53-T121 PolarHBondContact O-N 2.82Å; I53-T121 PolarHBondContact O-OG1 3.18Å; I53-T121 VanDerWaalsContact O-OG1 3.04Å; I53-L136 HydrophobicContact CD1-CD1 3.72Å; I53-L136 HydrophobicContact CD1-CD2 3.85Å; I53-L136 HydrophobicContact CD1-CG 4.27Å
54C90.5Very high80.4Confident2 Ų260.5 Ų60.51%0.01430%0.296CS..EExtended strand (participates in β ladder)trans-98.3165.5166.1-58.30000110.6E59 A60 L102 C103 D104 T121 T122C54-E59 HydrophobicContact CB-CB 3.77Å; C54-A60 HydrophobicContact CB-CB 4.12Å; C54-L102 PolarHBondContact N-O 3.36Å; C54-C103 CarbonylContact O-C 3.48Å; C54-C103 VanDerWaalsContact O-CA 3.28Å; C54-C103 WeakPolarHBondContact O-CA 3.17Å; C54-D104 PolarHBondContact O-N 3.18Å; C54-T121 PolarHBondContact SG-OG1 3.25Å; C54-T122 WeakPolarHBondContact CA-OG1 3.21Å
55Q87.9Confident81.9Confident59 Ų5959.7 Ų59.728%0.27629%0.29SS..SBendtrans-78.2-47.2173-169.9177.61600110E59 D104 T122 P124Q55-E59 PolarHBondContact N-OE2 2.91Å; Q55-D104 WeakPolarHBondContact CA-OD2 3.47Å; Q55-D104 PolarHBondContact O-N 2.84Å; Q55-T122 PolarHBondContact N-OG1 3.37Å; Q55-P124 HydrophobicContact CG-CB 4.28Å
56Q85.3Confident83.6Confident100 Ų10058.3 Ų58.347%0.46727%0.273SS..SBendtrans-118.7153.8-173.7-54.4-162.633.500113.6F58 E59 A60Q56-F58 VanDerWaalsContact C-N 3.28Å; Q56-F58 HydrophobicContact CB-CD1 3.7Å; Q56-F58 HydrophobicContact CB-CE1 3.7Å; Q56-F58 HydrophobicContact CG-CE1 4.12Å; Q56-F58 PolarHBondContact O-N 2.93Å; Q56-E59 HydrophobicContact CB-CG 4.36Å; Q56-E59 PolarHBondContact N-OE2 3.25Å; Q56-E59 WeakPolarHBondContact O-CB 3.38Å; Q56-E59 PolarHBondContact O-N 3.49Å; Q56-A60 PolarHBondContact O-N 2.93Å
57N83.9Confident85.2Confident44 Ų4452.2 Ų52.224%0.23524%0.24CC..Hα-helixtrans-62-32.1-179.8-179.971.3000113.1E59 A60 E61 P79N57-E59 VanDerWaalsContact C-N 3.33Å; N57-E59 PolarHBondContact O-N 2.8Å; N57-A60 WeakPolarHBondContact O-CB 3.35Å; N57-A60 PolarHBondContact O-N 3.07Å; N57-E61 PolarHBondContact ND2-OE1 2.78Å; N57-E61 WeakPolarHBondContact O-CG 3.37Å; N57-E61 PolarHBondContact O-N 2.79Å; N57-P79 HydrophobicContact CB-CG 4.14Å; N57-P79 WeakPolarHBondContact OD1-CD 3.42Å
58F81.6Confident86.5Confident121 Ų12150.7 Ų50.753%0.53124%0.236SC..Hα-helixtrans-68.7-33.1178.382.3-98.5000112.2Q56 R62Q56-F58 VanDerWaalsContact C-N 3.28Å; Q56-F58 HydrophobicContact CB-CD1 3.7Å; Q56-F58 HydrophobicContact CB-CE1 3.7Å; Q56-F58 HydrophobicContact CG-CE1 4.12Å; Q56-F58 PolarHBondContact O-N 2.93Å; F58-R62 WeakPolarHBondContact O-CB 3.47Å; F58-R62 PolarHBondContact O-N 3.25Å
59E86.8Confident87.2Confident31 Ų3153.4 Ų53.415%0.14525%0.249CC..Hα-helixtrans-65.3-44172.9-64.3162.3-153.200109.7C54 Q55 Q56 N57 R62 L63 T122C54-E59 HydrophobicContact CB-CB 3.77Å; Q55-E59 PolarHBondContact N-OE2 2.91Å; Q56-E59 HydrophobicContact CB-CG 4.36Å; Q56-E59 PolarHBondContact N-OE2 3.25Å; Q56-E59 WeakPolarHBondContact O-CB 3.38Å; Q56-E59 PolarHBondContact O-N 3.49Å; N57-E59 VanDerWaalsContact C-N 3.33Å; N57-E59 PolarHBondContact O-N 2.8Å; E59-R62 PolarHBondContact O-N 3.06Å; E59-L63 VanDerWaalsContact O-CB 3.24Å; E59-L63 WeakPolarHBondContact O-CB 3.1Å; E59-L63 PolarHBondContact O-N 3.48Å; E59-T122 WeakPolarHBondContact OE2-CG2 3.44Å; E59-T122 PolarHBondContact OE2-OG1 2.91Å
60A87.2Confident87.3Confident0 Ų053.2 Ų53.20%025%0.247CC..Hα-helixtrans-64.1-39.6178.400000112.5C54 Q56 N57 K64 L76 I101C54-A60 HydrophobicContact CB-CB 4.12Å; Q56-A60 PolarHBondContact O-N 2.93Å; N57-A60 WeakPolarHBondContact O-CB 3.35Å; N57-A60 PolarHBondContact O-N 3.07Å; A60-K64 WeakPolarHBondContact O-CB 3.45Å; A60-K64 PolarHBondContact O-N 3.49Å; A60-K64 VanDerWaalsContact O-N 3.09Å; A60-L76 HydrophobicContact CB-CD1 3.52Å; A60-I101 HydrophobicContact CB-CG2 3.72Å
61E86.2Confident87Confident106 Ų10659.4 Ų59.450%0.49528%0.28SS..Hα-helixtrans-64.6-44.1171.4-75.2177.8-171.600112.4N57 F65 L76N57-E61 PolarHBondContact ND2-OE1 2.78Å; N57-E61 WeakPolarHBondContact O-CG 3.37Å; N57-E61 PolarHBondContact O-N 2.79Å; E61-F65 PolarHBondContact O-N 2.79Å; E61-L76 HydrophobicContact CB-CD2 4.29Å; E61-L76 HydrophobicContact CG-CD2 3.51Å
62R87.4Confident86.6Confident165 Ų16560 Ų6062%0.62328%0.283SS*.Hα-helixtrans-64.4-47.1176.2-177.8179.7176.3-172.3-1.4111.6F58 E59 K64 F65 E66F58-R62 WeakPolarHBondContact O-CB 3.47Å; F58-R62 PolarHBondContact O-N 3.25Å; E59-R62 PolarHBondContact O-N 3.06Å; R62-K64 VanDerWaalsContact C-N 3.29Å; R62-K64 PolarHBondContact O-N 3.11Å; R62-F65 WeakPolarHBondContact O-CB 3.26Å; R62-F65 PolarHBondContact O-N 3.4Å; R62-E66 HydrophobicContact CG-CG 4.09Å; R62-E66 IonicContact NE-OE1 3.58Å; R62-E66 IonicContact NH2-OE1 3.78Å; R62-E66 VanDerWaalsContact O-CG 3.27Å; R62-E66 WeakPolarHBondContact O-CG 3.3Å; R62-E66 PolarHBondContact O-N 2.77Å
63L88.1Confident86.1Confident14 Ų1465.5 Ų65.57%0.07331%0.313CS..Hα-helixtrans-58.8-41.8179.3-177.265.1000111.4L33 L36 L52 E59 F65 E66 L67 I101 T121L33-L63 HydrophobicContact CD2-CD1 3.7Å; L36-L63 HydrophobicContact CD2-CD1 3.73Å; L52-L63 HydrophobicContact CB-CD2 4.35Å; L52-L63 HydrophobicContact CD2-CD2 4.5Å; E59-L63 VanDerWaalsContact O-CB 3.24Å; E59-L63 WeakPolarHBondContact O-CB 3.1Å; E59-L63 PolarHBondContact O-N 3.48Å; L63-F65 VanDerWaalsContact C-N 3.32Å; L63-F65 PolarHBondContact O-N 3.01Å; L63-E66 PolarHBondContact O-N 3.43Å; L63-L67 HydrophobicContact CD1-CD1 4.09Å; L63-L67 HydrophobicContact CD1-CG 4.23Å; L63-L67 HydrophobicContact CG-CD1 3.96Å; L63-L67 HydrophobicContact CG-CG 4.46Å; L63-L67 WeakPolarHBondContact O-CB 3.4Å; L63-L67 WeakPolarHBondContact O-CG 3.46Å; L63-L67 PolarHBondContact O-N 2.95Å; L63-I101 HydrophobicContact CD2-CD1 4.4Å; L63-I101 HydrophobicContact CD2-CG2 4.19Å; L63-I101 HydrophobicContact CG-CD1 4.32Å; L63-T121 HydrophobicContact CD2-CG2 3.89Å
64K91Very high86Confident84 Ų8466 Ų6637%0.36532%0.316SS..Hα-helixtrans-58.3-43.6174.1-169-169.3-169.5172.80112.1A60 R62 A68 T74 L76 I101A60-K64 WeakPolarHBondContact O-CB 3.45Å; A60-K64 PolarHBondContact O-N 3.49Å; A60-K64 VanDerWaalsContact O-N 3.09Å; R62-K64 VanDerWaalsContact C-N 3.29Å; R62-K64 PolarHBondContact O-N 3.11Å; K64-A68 WeakPolarHBondContact O-CB 3.39Å; K64-A68 PolarHBondContact O-N 2.9Å; K64-A68 VanDerWaalsContact O-N 3.08Å; K64-T74 WeakPolarHBondContact CE-O 3.29Å; K64-L76 HydrophobicContact CD-CB 3.8Å; K64-L76 HydrophobicContact CD-CD2 4.45Å; K64-I101 HydrophobicContact CB-CD1 3.81Å; K64-I101 HydrophobicContact CG-CD1 4.27Å
65F87.3Confident85.9Confident124 Ų12467.4 Ų67.454%0.54432%0.323SS..Hα-helixtrans-66.4-50.1179-177.1-89.8000111.3E61 R62 L63 L67 A68 E69E61-F65 PolarHBondContact O-N 2.79Å; R62-F65 WeakPolarHBondContact O-CB 3.26Å; R62-F65 PolarHBondContact O-N 3.4Å; L63-F65 VanDerWaalsContact C-N 3.32Å; L63-F65 PolarHBondContact O-N 3.01Å; F65-L67 VanDerWaalsContact C-N 3.31Å; F65-L67 PolarHBondContact O-N 3.49Å; F65-A68 WeakPolarHBondContact O-CB 3.19Å; F65-A68 PolarHBondContact O-N 2.96Å; F65-A68 VanDerWaalsContact O-N 3.08Å; F65-E69 HydrophobicContact CD1-CG 4.34Å; F65-E69 HydrophobicContact CE1-CG 3.89Å; F65-E69 WeakPolarHBondContact CE1-OE1 3.41Å; F65-E69 HydrophobicContact CZ-CG 4.19Å; F65-E69 WeakPolarHBondContact CZ-OE1 3.44Å; F65-E69 PolarHBondContact O-N 3.41Å
66E89Confident86Confident33 Ų3365.7 Ų65.715%0.15432%0.316CS..Hα-helixtrans-61.5-34.9-180-67.7-84.8-171.700113.2L33 R62 L63 R70L33-E66 HydrophobicContact CD1-CB 3.96Å; L33-E66 HydrophobicContact CD1-CG 3.96Å; L33-E66 WeakPolarHBondContact CD1-OE2 3.48Å; L33-E66 HydrophobicContact CD2-CB 3.89Å; L33-E66 HydrophobicContact CD2-CG 4.49Å; R62-E66 HydrophobicContact CG-CG 4.09Å; R62-E66 IonicContact NE-OE1 3.58Å; R62-E66 IonicContact NH2-OE1 3.78Å; R62-E66 VanDerWaalsContact O-CG 3.27Å; R62-E66 WeakPolarHBondContact O-CG 3.3Å; R62-E66 PolarHBondContact O-N 2.77Å; L63-E66 PolarHBondContact O-N 3.43Å; E66-R70 WeakPolarHBondContact O-CD 3.34Å; E66-R70 WeakPolarHBondContact O-CG 3.46Å; E66-R70 PolarHBondContact O-NH1 3.29Å; E66-R70 IonicContact OE2-CZ 3.25Å; E66-R70 IonicContact OE2-NH1 2.96Å; E66-R70 PolarHBondContact OE2-NH1 2.9Å; E66-R70 IonicContact OE2-NH2 3.17Å
67L86.2Confident85.6Confident0 Ų061.1 Ų61.10%030%0.295CS..Hα-helixtrans-75.2-33.8173.8-73.9176.3000112.3L36 A37 L40 L52 L63 F65 R70 D71 V72 T74 I101L36-L67 HydrophobicContact CD2-CD1 4.19Å; L36-L67 HydrophobicContact CD2-CD2 4.12Å; L36-L67 HydrophobicContact CG-CD2 4.11Å; A37-L67 HydrophobicContact CB-CD2 4.16Å; L40-L67 HydrophobicContact CD1-CD1 3.97Å; L40-L67 HydrophobicContact CD1-CD2 4.2Å; L52-L67 HydrophobicContact CD1-CD1 4.13Å; L63-L67 HydrophobicContact CD1-CD1 4.09Å; L63-L67 HydrophobicContact CD1-CG 4.23Å; L63-L67 HydrophobicContact CG-CD1 3.96Å; L63-L67 HydrophobicContact CG-CG 4.46Å; L63-L67 WeakPolarHBondContact O-CB 3.4Å; L63-L67 WeakPolarHBondContact O-CG 3.46Å; L63-L67 PolarHBondContact O-N 2.95Å; F65-L67 VanDerWaalsContact C-N 3.31Å; F65-L67 PolarHBondContact O-N 3.49Å; L67-R70 CarbonylContact O-C 3.51Å; L67-R70 VanDerWaalsContact O-C 3.25Å; L67-R70 WeakPolarHBondContact O-CA 3.39Å; L67-R70 PolarHBondContact O-N 3.16Å; L67-R70 VanDerWaalsContact O-N 3.09Å; L67-D71 PolarHBondContact O-N 3.37Å; L67-V72 CarbonylContact C-O 3.45Å; L67-V72 HydrophobicContact CB-CB 4.22Å; L67-V72 HydrophobicContact CD2-CB 4.46Å; L67-V72 PolarHBondContact O-N 3.3Å; L67-T74 HydrophobicContact CB-CG2 4.37Å; L67-T74 HydrophobicContact CD1-CG2 3.84Å; L67-I101 HydrophobicContact CD1-CD1 4.47Å
68A84Confident85Confident56 Ų5662.2 Ų62.246%0.46330%0.304SS..Hα-helixtrans-69.3-35175.200000112.6K64 F65 R70 D71K64-A68 WeakPolarHBondContact O-CB 3.39Å; K64-A68 PolarHBondContact O-N 2.9Å; K64-A68 VanDerWaalsContact O-N 3.08Å; F65-A68 WeakPolarHBondContact O-CB 3.19Å; F65-A68 PolarHBondContact O-N 2.96Å; F65-A68 VanDerWaalsContact O-N 3.08Å; A68-R70 PolarHBondContact O-N 2.9Å; A68-D71 PolarHBondContact O-N 3.1Å
69E84.8Confident84.1Confident128 Ų12858.3 Ų58.360%0.59829%0.291SS*.THydrogen-bonded Turntrans-65.2-19.1169.5-67.9-161.9141.600112.7F65F65-E69 HydrophobicContact CD1-CG 4.34Å; F65-E69 HydrophobicContact CE1-CG 3.89Å; F65-E69 WeakPolarHBondContact CE1-OE1 3.41Å; F65-E69 HydrophobicContact CZ-CG 4.19Å; F65-E69 WeakPolarHBondContact CZ-OE1 3.44Å; F65-E69 PolarHBondContact O-N 3.41Å
70R85.9Confident83.1Confident43 Ų4365.4 Ų65.416%0.16232%0.323CS..THydrogen-bonded Turntrans-10226.3174.7-64.4169.1175.682.8-2.1112.3D34 A37 R41 E66 L67 A68 V72D34-R70 IonicContact OD1-CZ 3.8Å; D34-R70 IonicContact OD1-NE 3.85Å; D34-R70 PolarHBondContact OD1-NE 3.32Å; D34-R70 IonicContact OD1-NH2 2.71Å; D34-R70 PolarHBondContact OD1-NH2 2.75Å; A37-R70 HydrophobicContact CB-CB 3.78Å; A37-R70 HydrophobicContact CB-CG 4.43Å; R41-R70 PolarHBondContact NE-O 3.12Å; R41-R70 PolarHBondContact NH2-O 3.24Å; E66-R70 WeakPolarHBondContact O-CD 3.34Å; E66-R70 WeakPolarHBondContact O-CG 3.46Å; E66-R70 PolarHBondContact O-NH1 3.29Å; E66-R70 IonicContact OE2-CZ 3.25Å; E66-R70 IonicContact OE2-NH1 2.96Å; E66-R70 PolarHBondContact OE2-NH1 2.9Å; E66-R70 IonicContact OE2-NH2 3.17Å; L67-R70 CarbonylContact O-C 3.51Å; L67-R70 VanDerWaalsContact O-C 3.25Å; L67-R70 WeakPolarHBondContact O-CA 3.39Å; L67-R70 PolarHBondContact O-N 3.16Å; L67-R70 VanDerWaalsContact O-N 3.09Å; A68-R70 PolarHBondContact O-N 2.9Å; R70-V72 PolarHBondContact O-N 3.36Å
71D81.5Confident82Confident137 Ų13766.6 Ų66.673%0.73334%0.336SS*.THydrogen-bonded Turntrans55.622.1177.1-66.1-45.2000115.2L67 A68L67-D71 PolarHBondContact O-N 3.37Å; A68-D71 PolarHBondContact O-N 3.1Å
72V82.1Confident80.9Confident12 Ų1266.7 Ų66.77%0.07336%0.355CS..  trans-102.7110.2175.9-177.90000110.2A37 L40 R41 L67 R70 T74A37-V72 HydrophobicContact CB-CG2 3.89Å; L40-V72 HydrophobicContact CB-CG1 3.84Å; L40-V72 HydrophobicContact CD1-CG1 3.83Å; L40-V72 HydrophobicContact CG-CG1 4.47Å; R41-V72 HydrophobicContact CG-CG2 3.93Å; L67-V72 CarbonylContact C-O 3.45Å; L67-V72 HydrophobicContact CB-CB 4.22Å; L67-V72 HydrophobicContact CD2-CB 4.46Å; L67-V72 PolarHBondContact O-N 3.3Å; R70-V72 PolarHBondContact O-N 3.36Å; V72-T74 HydrophobicContact CG1-CG2 3.97Å; V72-T74 PolarHBondContact O-N 2.95Å
73N80.9Confident80.1Confident116 Ų11664.2 Ų64.262%0.6235%0.352SS*.  trans-77.9117.3178.3-71.8-64.2000111.3Q98N73-Q98 HydrophobicContact CB-CG 4.31Å
74T89.1Confident79.6Confident10 Ų1064.2 Ų64.26%0.06135%0.352CS..EExtended strand (participates in β ladder)trans-128.6153.6-17857.60000112.3L52 K64 L67 V72 A99 I101L52-T74 HydrophobicContact CD1-CG2 4.17Å; K64-T74 WeakPolarHBondContact CE-O 3.29Å; L67-T74 HydrophobicContact CB-CG2 4.37Å; L67-T74 HydrophobicContact CD1-CG2 3.84Å; V72-T74 HydrophobicContact CG1-CG2 3.97Å; V72-T74 PolarHBondContact O-N 2.95Å; T74-A99 WeakPolarHBondContact CA-O 3.25Å; T74-A99 HydrophobicContact CG2-CB 4.26Å; T74-I101 HydrophobicContact CG2-CD1 4.2Å; T74-I101 WeakPolarHBondContact OG1-CD1 3.45Å
75I88.8Confident78.9Confident33 Ų3362.8 Ų62.817%0.16936%0.361CS..EExtended strand (participates in β ladder)trans-110119.5175.7-65.6-179.2000109.3V87 I96 Q98 A99 L100 I101I75-V87 HydrophobicContact CG2-CG1 4.13Å; I75-I96 HydrophobicContact CD1-CG2 3.25Å; I75-Q98 HydrophobicContact CD1-CB 4.1Å; I75-Q98 HydrophobicContact CG1-CB 3.93Å; I75-A99 PolarHBondContact N-O 3.36Å; I75-L100 HydrophobicContact CB-CD1 4.3Å; I75-L100 HydrophobicContact CG2-CD1 4.08Å; I75-L100 CarbonylContact O-C 3.58Å; I75-L100 WeakPolarHBondContact O-CA 3.37Å; I75-I101 PolarHBondContact O-N 3.02Å
76L88.3Confident78.6Confident23 Ų2362.2 Ų62.212%0.1236%0.36CS..EExtended strand (participates in β ladder)trans-90127.1167.317562.4000109.3A60 E61 K64 P78 I101A60-L76 HydrophobicContact CB-CD1 3.52Å; E61-L76 HydrophobicContact CB-CD2 4.29Å; E61-L76 HydrophobicContact CG-CD2 3.51Å; K64-L76 HydrophobicContact CD-CB 3.8Å; K64-L76 HydrophobicContact CD-CD2 4.45Å; L76-P78 WeakPolarHBondContact O-CD 3.49Å; L76-I101 HydrophobicContact CD1-CB 4.1Å; L76-I101 HydrophobicContact CD1-CG2 3.99Å
77L78.1Confident78.2Confident4 Ų462.4 Ų62.42%0.02136%0.364CS..  trans-85.9113.6166.6-77.9169.6000109.5V84 V87 L88 L100 I101 L102 M106L77-V84 HydrophobicContact CD2-CB 4.44Å; L77-V84 HydrophobicContact CD2-CG1 4.38Å; L77-V84 HydrophobicContact CD2-CG2 4.2Å; L77-V87 HydrophobicContact CD2-CB 3.84Å; L77-V87 HydrophobicContact CD2-CG1 3.7Å; L77-L88 HydrophobicContact CD1-CD1 4.2Å; L77-L88 HydrophobicContact CD1-CD2 3.48Å; L77-L88 VanDerWaalsContact CD1-CD2 3.48Å; L77-L88 HydrophobicContact CD1-CG 3.63Å; L77-L100 HydrophobicContact CD1-CD1 3.78Å; L77-L100 HydrophobicContact CD1-CD2 3.98Å; L77-L100 HydrophobicContact CD1-CG 4.14Å; L77-L100 HydrophobicContact CG-CD1 3.91Å; L77-I101 PolarHBondContact N-O 2.88Å; L77-L102 HydrophobicContact CB-CD2 4.37Å; L77-L102 HydrophobicContact CD1-CD2 3.75Å; L77-M106 HydrophobicContact CB-CE 4.27Å
78P71.1Confident78.1Confident66 Ų6663 Ų6343%0.42937%0.367SS..  trans-73.5137.5178.530.1-33.6000110.2L76 H80 G81 V84L76-P78 WeakPolarHBondContact O-CD 3.49Å; P78-H80 PolarHBondContact O-N 3.3Å; P78-G81 PolarHBondContact O-N 2.89Å; P78-V84 WeakPolarHBondContact O-CG2 3.38Å
79P63.1Low77.9Confident40 Ų4064.8 Ų64.826%0.2637%0.368SS..THydrogen-bonded Turntrans-57.8131.7169.625.1-32.5000110.2N57 G81 M106N57-P79 HydrophobicContact CB-CG 4.14Å; N57-P79 WeakPolarHBondContact OD1-CD 3.42Å; P79-G81 PolarHBondContact O-N 2.96Å; P79-M106 VanDerWaalsContact CA-SD 3.52Å; P79-M106 HydrophobicContact CB-SD 3.95Å
80H64.6Low77.7Confident179 Ų17962.5 Ų62.583%0.82936%0.359SS*.THydrogen-bonded Turntrans68.719.4-178.9-35-62.4000116.5P78 A82P78-H80 PolarHBondContact O-N 3.3Å; H80-A82 PolarHBondContact O-N 3.47Å
81G64.7Low77.8Confident25 Ų2560.5 Ų60.526%0.25835%0.352SS..  trans-69.8123.817100000113.2P78 P79 M83 V84P78-G81 PolarHBondContact O-N 2.89Å; P79-G81 PolarHBondContact O-N 2.96Å; G81-M83 PolarHBondContact O-N 3.28Å; G81-V84 WeakPolarHBondContact O-CB 3.35Å; G81-V84 WeakPolarHBondContact O-CG2 3.5Å; G81-V84 PolarHBondContact O-N 2.65Å
82A63.6Low77.6Confident108 Ų10855.6 Ų55.689%0.89333%0.328SS*.THydrogen-bonded Turntrans-59.2-13.7178.200000115.1H80H80-A82 PolarHBondContact O-N 3.47Å
83M69.3Low77.5Confident114 Ų11461.6 Ų61.656%0.56235%0.353SS*.THydrogen-bonded Turntrans-101-0.9178.3-57.4-68-76.700113.3G81 G85 Q86 V87G81-M83 PolarHBondContact O-N 3.28Å; M83-G85 PolarHBondContact O-N 2.89Å; M83-Q86 PolarHBondContact O-N 3.14Å; M83-V87 HydrophobicContact CB-CG2 4.47Å; M83-V87 WeakPolarHBondContact O-CG2 3.48Å; M83-V87 PolarHBondContact O-N 3.37Å
84V78.6Confident77.1Confident13 Ų1357.6 Ų57.68%0.07934%0.34CS..Hα-helixtrans-52.5-50.9-174162.20000111.8L77 P78 G81 Q86 V87 L88 M106 H109L77-V84 HydrophobicContact CD2-CB 4.44Å; L77-V84 HydrophobicContact CD2-CG1 4.38Å; L77-V84 HydrophobicContact CD2-CG2 4.2Å; P78-V84 WeakPolarHBondContact O-CG2 3.38Å; G81-V84 WeakPolarHBondContact O-CB 3.35Å; G81-V84 WeakPolarHBondContact O-CG2 3.5Å; G81-V84 PolarHBondContact O-N 2.65Å; V84-Q86 VanDerWaalsContact C-N 3.29Å; V84-Q86 PolarHBondContact O-N 3.42Å; V84-V87 PolarHBondContact O-N 3.23Å; V84-L88 HydrophobicContact CG1-CD1 3.74Å; V84-L88 WeakPolarHBondContact O-CB 3.43Å; V84-L88 WeakPolarHBondContact O-CG 3.38Å; V84-L88 PolarHBondContact O-N 3.36Å; V84-M106 HydrophobicContact CB-CE 4.45Å; V84-M106 HydrophobicContact CG1-CE 3.68Å; V84-M106 HydrophobicContact CG2-CE 3.88Å; V84-H109 HydrophobicContact CG1-CB 4.49Å
85G76.6Confident76.6Confident54 Ų5465.5 Ų65.556%0.55737%0.37SS*.Hα-helixtrans-63-31.5178.800000114M83 L89M83-G85 PolarHBondContact O-N 2.89Å; G85-L89 VanDerWaalsContact O-CB 3.24Å; G85-L89 WeakPolarHBondContact O-CB 3.23Å; G85-L89 PolarHBondContact O-N 3.34Å
86Q79.8Confident76.2Confident112 Ų11265.6 Ų65.652%0.52337%0.37SS..Hα-helixtrans-74.5-40.7175.8-65.9-174.61.500111.8M83 V84 L89 L90M83-Q86 PolarHBondContact O-N 3.14Å; V84-Q86 VanDerWaalsContact C-N 3.29Å; V84-Q86 PolarHBondContact O-N 3.42Å; Q86-L89 PolarHBondContact O-N 3.27Å; Q86-L90 WeakPolarHBondContact O-CB 3.2Å; Q86-L90 VanDerWaalsContact O-CG 3.29Å; Q86-L90 WeakPolarHBondContact O-CG 3.33Å; Q86-L90 PolarHBondContact O-N 3.43Å
87V81.7Confident75.7Confident38 Ų3867.8 Ų67.823%0.2338%0.382CS..Hα-helixtrans-66.3-44.2177175.50000110.5I75 L77 M83 V84 L89 L90 W91 I96I75-V87 HydrophobicContact CG2-CG1 4.13Å; L77-V87 HydrophobicContact CD2-CB 3.84Å; L77-V87 HydrophobicContact CD2-CG1 3.7Å; M83-V87 HydrophobicContact CB-CG2 4.47Å; M83-V87 WeakPolarHBondContact O-CG2 3.48Å; M83-V87 PolarHBondContact O-N 3.37Å; V84-V87 PolarHBondContact O-N 3.23Å; V87-L89 PolarHBondContact O-N 3.45Å; V87-L90 PolarHBondContact O-N 3Å; V87-W91 VanDerWaalsContact O-CB 3.28Å; V87-W91 WeakPolarHBondContact O-CB 3.12Å; V87-W91 PolarHBondContact O-N 3.46Å; V87-I96 HydrophobicContact CG1-CD1 4.41Å
88L83.3Confident76Confident12 Ų1271.3 Ų71.36%0.06340%0.398CS..Hα-helixtrans-59.2-43.2173.4-78.2167.9000112.1L77 V84 W91 S92 L100 H109 L110L77-L88 HydrophobicContact CD1-CD1 4.2Å; L77-L88 HydrophobicContact CD1-CD2 3.48Å; L77-L88 VanDerWaalsContact CD1-CD2 3.48Å; L77-L88 HydrophobicContact CD1-CG 3.63Å; V84-L88 HydrophobicContact CG1-CD1 3.74Å; V84-L88 WeakPolarHBondContact O-CB 3.43Å; V84-L88 WeakPolarHBondContact O-CG 3.38Å; V84-L88 PolarHBondContact O-N 3.36Å; L88-W91 PolarHBondContact O-N 3.44Å; L88-S92 VanDerWaalsContact O-CB 3.29Å; L88-S92 WeakPolarHBondContact O-CB 3.39Å; L88-S92 PolarHBondContact O-N 3.21Å; L88-S92 PolarHBondContact O-OG 3.03Å; L88-L100 HydrophobicContact CD2-CD2 3.9Å; L88-H109 VanDerWaalsContact CD1-O 3.23Å; L88-H109 WeakPolarHBondContact CD1-O 3.42Å; L88-L110 HydrophobicContact CD2-CD1 4.12Å
89L80.6Confident76.8Confident94 Ų9468.8 Ų68.849%0.49238%0.383SS..Hα-helixtrans-66.1-36.5177.7-17764.9000113.3G85 Q86 V87 S92 K93G85-L89 VanDerWaalsContact O-CB 3.24Å; G85-L89 WeakPolarHBondContact O-CB 3.23Å; G85-L89 PolarHBondContact O-N 3.34Å; Q86-L89 PolarHBondContact O-N 3.27Å; V87-L89 PolarHBondContact O-N 3.45Å; L89-S92 PolarHBondContact O-OG 3.1Å; L89-K93 HydrophobicContact CD1-CD 4.31Å; L89-K93 WeakPolarHBondContact O-CB 3.38Å; L89-K93 VanDerWaalsContact O-CG 3.32Å; L89-K93 WeakPolarHBondContact O-CG 3.4Å; L89-K93 PolarHBondContact O-N 2.84Å
90L81Confident78.1Confident79 Ų7966.9 Ų66.941%0.41437%0.371SS..Hα-helixtrans-73.2-38.5176.9-71.9170.7000111.5Q86 V87 G94 Y95 I96Q86-L90 WeakPolarHBondContact O-CB 3.2Å; Q86-L90 VanDerWaalsContact O-CG 3.29Å; Q86-L90 WeakPolarHBondContact O-CG 3.33Å; Q86-L90 PolarHBondContact O-N 3.43Å; V87-L90 PolarHBondContact O-N 3Å; L90-G94 PolarHBondContact O-N 2.98Å; L90-Y95 HydrophobicContact CD2-CD2 3.94Å; L90-Y95 HydrophobicContact CD2-CG 4.24Å; L90-Y95 WeakPolarHBondContact O-CB 3.31Å; L90-Y95 PolarHBondContact O-N 3.27Å; L90-I96 HydrophobicContact CB-CD1 3.54Å; L90-I96 HydrophobicContact CB-CG1 3.93Å; L90-I96 HydrophobicContact CD1-CD1 4.42Å
91W86.8Confident79.4Confident2 Ų258.4 Ų58.41%0.00833%0.332CS..Hα-helixtrans-67.9-47.4175.6-172.987.4000112K49 I51 V87 L88 K93 G94 I96 Q98 L100 V113 A115K49-W91 HydrophobicContact CB-CH2 3.72Å; K49-W91 HydrophobicContact CB-CZ2 3.79Å; K49-W91 HydrophobicContact CB-CZ3 4.47Å; K49-W91 HydrophobicContact CG-CH2 4.34Å; K49-W91 HydrophobicContact CG-CZ2 4.28Å; I51-W91 HydrophobicContact CD1-CH2 3.81Å; I51-W91 HydrophobicContact CD1-CZ3 4.16Å; I51-W91 HydrophobicContact CG1-CH2 3.48Å; I51-W91 VanDerWaalsContact CG1-CH2 3.48Å; I51-W91 HydrophobicContact CG1-CZ2 4.03Å; I51-W91 HydrophobicContact CG1-CZ3 4.29Å; V87-W91 VanDerWaalsContact O-CB 3.28Å; V87-W91 WeakPolarHBondContact O-CB 3.12Å; V87-W91 PolarHBondContact O-N 3.46Å; L88-W91 PolarHBondContact O-N 3.44Å; W91-K93 PolarHBondContact O-N 3.49Å; W91-G94 PolarHBondContact O-N 3.19Å; W91-I96 HydrophobicContact CB-CB 4.31Å; W91-Q98 PolarHBondContact NE1-O 3Å; W91-L100 HydrophobicContact CD2-CB 4.36Å; W91-L100 HydrophobicContact CD2-CD2 4Å; W91-L100 HydrophobicContact CE3-CD2 4.05Å; W91-L100 HydrophobicContact CG-CD1 4.5Å; W91-L100 HydrophobicContact CH2-CD2 4.48Å; W91-L100 HydrophobicContact CZ2-CB 3.85Å; W91-L100 HydrophobicContact CZ2-CD2 4.43Å; W91-L100 HydrophobicContact CZ3-CD2 4.29Å; W91-V113 HydrophobicContact CZ3-CB 4.31Å; W91-A115 HydrophobicContact CH2-CB 4.32Å
92S78.9Confident80.6Confident34 Ų3457.2 Ų57.224%0.23832%0.319CS..Hα-helixtrans-62.7-31.1178.370.70000112.7K49 L88 L89 G94K49-S92 PolarHBondContact NZ-O 3.45Å; L88-S92 VanDerWaalsContact O-CB 3.29Å; L88-S92 WeakPolarHBondContact O-CB 3.39Å; L88-S92 PolarHBondContact O-N 3.21Å; L88-S92 PolarHBondContact O-OG 3.03Å; L89-S92 PolarHBondContact O-OG 3.1Å; S92-G94 VanDerWaalsContact C-N 3.34Å
93K79.4Confident81.8Confident137 Ų13752.5 Ų52.560%0.59628%0.28SS*.THydrogen-bonded Turntrans-82.71.5173.1-71.2-174.6176-172.50115.2L89 W91 Y95L89-K93 HydrophobicContact CD1-CD 4.31Å; L89-K93 WeakPolarHBondContact O-CB 3.38Å; L89-K93 VanDerWaalsContact O-CG 3.32Å; L89-K93 WeakPolarHBondContact O-CG 3.4Å; L89-K93 PolarHBondContact O-N 2.84Å; W91-K93 PolarHBondContact O-N 3.49Å; K93-Y95 VanDerWaalsContact C-N 3.31Å; K93-Y95 HydrophobicContact CB-CD2 3.63Å; K93-Y95 HydrophobicContact CB-CE2 3.65Å; K93-Y95 HydrophobicContact CD-CE2 4.1Å; K93-Y95 PolarHBondContact O-N 2.96Å
94G72.8Confident82.5Confident33 Ų3348.8 Ų48.834%0.3426%0.262SS..THydrogen-bonded Turntrans72.618.1178.400000114.9L90 W91 S92 N97L90-G94 PolarHBondContact O-N 2.98Å; W91-G94 PolarHBondContact O-N 3.19Å; S92-G94 VanDerWaalsContact C-N 3.34Å; G94-N97 PolarHBondContact O-OD1 3.19Å
95Y77.4Confident82.7Confident175 Ų17550.6 Ų50.669%0.68628%0.283SS*.SBendtrans-77.6-10.3167.1-65.1-74000112.3L90 K93L90-Y95 HydrophobicContact CD2-CD2 3.94Å; L90-Y95 HydrophobicContact CD2-CG 4.24Å; L90-Y95 WeakPolarHBondContact O-CB 3.31Å; L90-Y95 PolarHBondContact O-N 3.27Å; K93-Y95 VanDerWaalsContact C-N 3.31Å; K93-Y95 HydrophobicContact CB-CD2 3.63Å; K93-Y95 HydrophobicContact CB-CE2 3.65Å; K93-Y95 HydrophobicContact CD-CE2 4.1Å; K93-Y95 PolarHBondContact O-N 2.96Å
96I81.1Confident83Confident35 Ų3548.1 Ų48.118%0.17926%0.257CS..  trans-134.5115.1-179-51.8177.1000109.3I75 V87 L90 W91 Q98I75-I96 HydrophobicContact CD1-CG2 3.25Å; V87-I96 HydrophobicContact CG1-CD1 4.41Å; L90-I96 HydrophobicContact CB-CD1 3.54Å; L90-I96 HydrophobicContact CB-CG1 3.93Å; L90-I96 HydrophobicContact CD1-CD1 4.42Å; W91-I96 HydrophobicContact CB-CB 4.31Å; I96-Q98 HydrophobicContact CG2-CB 4.45Å
97N76.7Confident83.1Confident70 Ų7043.1 Ų43.137%0.37423%0.234SC..  trans-102.717.1-169.6-73.67.1000113A45 N46 G94A45-N97 VanDerWaalsContact O-CB 3.27Å; A45-N97 WeakPolarHBondContact O-CB 3.47Å; N46-N97 PolarHBondContact OD1-ND2 3.04Å; G94-N97 PolarHBondContact O-OD1 3.19Å
98Q85.7Confident82.9Confident77 Ų7747.1 Ų47.136%0.3625%0.25SS..SBendtrans-96.9145.3-179.4-68-178.97.200110.1N73 I75 W91 I96N73-Q98 HydrophobicContact CB-CG 4.31Å; I75-Q98 HydrophobicContact CD1-CB 4.1Å; I75-Q98 HydrophobicContact CG1-CB 3.93Å; W91-Q98 PolarHBondContact NE1-O 3Å; I96-Q98 HydrophobicContact CG2-CB 4.45Å
99A87.9Confident82.5Confident13 Ų1350.5 Ų50.511%0.10727%0.265CS..EExtended strand (participates in β ladder)trans-63.6138175.800000110.9L40 T50 L52 T74 I75L40-A99 HydrophobicContact CD2-CB 3.88Å; T50-A99 HydrophobicContact CG2-CB 4.43Å; T50-A99 WeakPolarHBondContact O-CA 3.35Å; L52-A99 HydrophobicContact CD1-CB 3.75Å; T74-A99 WeakPolarHBondContact CA-O 3.25Å; T74-A99 HydrophobicContact CG2-CB 4.26Å; I75-A99 PolarHBondContact N-O 3.36Å
100L89.9Confident82.2Confident1 Ų146.3 Ų46.31%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-99.2114.8-170.2-169.370.5000110.8T50 I51 L52 I75 L77 L88 W91 L102T50-L100 PolarHBondContact O-N 3.14Å; I51-L100 CarbonylContact C-O 3.6Å; I51-L100 WeakPolarHBondContact CA-O 3.08Å; L52-L100 PolarHBondContact N-O 3.23Å; I75-L100 HydrophobicContact CB-CD1 4.3Å; I75-L100 HydrophobicContact CG2-CD1 4.08Å; I75-L100 CarbonylContact O-C 3.58Å; I75-L100 WeakPolarHBondContact O-CA 3.37Å; L77-L100 HydrophobicContact CD1-CD1 3.78Å; L77-L100 HydrophobicContact CD1-CD2 3.98Å; L77-L100 HydrophobicContact CD1-CG 4.14Å; L77-L100 HydrophobicContact CG-CD1 3.91Å; L88-L100 HydrophobicContact CD2-CD2 3.9Å; W91-L100 HydrophobicContact CD2-CB 4.36Å; W91-L100 HydrophobicContact CD2-CD2 4Å; W91-L100 HydrophobicContact CE3-CD2 4.05Å; W91-L100 HydrophobicContact CG-CD1 4.5Å; W91-L100 HydrophobicContact CH2-CD2 4.48Å; W91-L100 HydrophobicContact CZ2-CB 3.85Å; W91-L100 HydrophobicContact CZ2-CD2 4.43Å; W91-L100 HydrophobicContact CZ3-CD2 4.29Å; L100-L102 HydrophobicContact CD2-CD2 3.96Å; L100-L102 HydrophobicContact CG-CD2 3.99Å; L100-L102 HydrophobicContact CG-CG 4.49Å
101I91.3Very high81.8Confident0 Ų044.6 Ų44.60%025%0.245CC..EExtended strand (participates in β ladder)trans-92.1130.8176.2-51174.9000110.1L52 A60 L63 K64 L67 T74 I75 L76 L77L52-I101 HydrophobicContact CB-CB 4.37Å; L52-I101 HydrophobicContact CB-CG1 3.95Å; L52-I101 HydrophobicContact CB-CG2 4.45Å; L52-I101 HydrophobicContact CD1-CD1 4.36Å; L52-I101 HydrophobicContact CD1-CG1 3.65Å; L52-I101 HydrophobicContact CG-CG1 4.44Å; L52-I101 CarbonylContact O-C 3.36Å; L52-I101 WeakPolarHBondContact O-CA 3.17Å; A60-I101 HydrophobicContact CB-CG2 3.72Å; L63-I101 HydrophobicContact CD2-CD1 4.4Å; L63-I101 HydrophobicContact CD2-CG2 4.19Å; L63-I101 HydrophobicContact CG-CD1 4.32Å; K64-I101 HydrophobicContact CB-CD1 3.81Å; K64-I101 HydrophobicContact CG-CD1 4.27Å; L67-I101 HydrophobicContact CD1-CD1 4.47Å; T74-I101 HydrophobicContact CG2-CD1 4.2Å; T74-I101 WeakPolarHBondContact OG1-CD1 3.45Å; I75-I101 PolarHBondContact O-N 3.02Å; L76-I101 HydrophobicContact CD1-CB 4.1Å; L76-I101 HydrophobicContact CD1-CG2 3.99Å; L77-I101 PolarHBondContact N-O 2.88Å
102L89.8Confident80.9Confident0 Ų050.1 Ų50.10%028%0.279CS..EExtended strand (participates in β ladder)trans-130.6157.8-177.4-51.4173.6000110.7I51 L52 I53 C54 L77 L100 L107 L110I51-L102 HydrophobicContact CG2-CD1 3.33Å; I51-L102 HydrophobicContact CG2-CG 4.04Å; L52-L102 PolarHBondContact O-N 2.99Å; I53-L102 HydrophobicContact CG1-CD1 4.44Å; C54-L102 PolarHBondContact N-O 3.36Å; L77-L102 HydrophobicContact CB-CD2 4.37Å; L77-L102 HydrophobicContact CD1-CD2 3.75Å; L100-L102 HydrophobicContact CD2-CD2 3.96Å; L100-L102 HydrophobicContact CG-CD2 3.99Å; L100-L102 HydrophobicContact CG-CG 4.49Å; L102-L107 HydrophobicContact CD1-CD2 4.44Å; L102-L110 HydrophobicContact CD1-CD1 3.43Å; L102-L110 VanDerWaalsContact CD1-CD1 3.43Å; L102-L110 HydrophobicContact CD1-CD2 4.02Å; L102-L110 HydrophobicContact CD1-CG 4.38Å; L102-L110 HydrophobicContact CD2-CD1 3.77Å; L102-L110 HydrophobicContact CG-CD1 4.26Å
103C89.3Confident80.6Confident9 Ų948.9 Ų48.96%0.06127%0.27CS..EExtended strand (participates in β ladder)trans-112.3166.4158.661.60000110.8C54 G105 M106C54-C103 CarbonylContact O-C 3.48Å; C54-C103 VanDerWaalsContact O-CA 3.28Å; C54-C103 WeakPolarHBondContact O-CA 3.17Å; C103-G105 VanDerWaalsContact C-N 3.27Å; C103-G105 PolarHBondContact O-N 3.32Å; C103-M106 WeakPolarHBondContact O-CB 3.49Å; C103-M106 PolarHBondContact O-N 3.21Å
104D84.9Confident80.2Confident37 Ų3749.8 Ų49.820%0.19828%0.276CS..G310 helixtrans-53-41.1-177.4-78.8-35.6000113.6C54 Q55 M106 L107 R132C54-D104 PolarHBondContact O-N 3.18Å; Q55-D104 WeakPolarHBondContact CA-OD2 3.47Å; Q55-D104 PolarHBondContact O-N 2.84Å; D104-M106 PolarHBondContact O-N 2.88Å; D104-L107 HydrophobicContact CB-CD1 4.38Å; D104-L107 WeakPolarHBondContact O-CB 3.31Å; D104-L107 WeakPolarHBondContact O-CG 3.39Å; D104-L107 PolarHBondContact O-N 3.22Å; D104-L107 WeakPolarHBondContact OD1-CD1 3.44Å; D104-R132 IonicContact OD1-CZ 3.27Å; D104-R132 IonicContact OD1-NE 2.72Å; D104-R132 PolarHBondContact OD1-NE 3.33Å; D104-R132 IonicContact OD1-NH2 2.68Å; D104-R132 PolarHBondContact OD1-NH2 3.09Å; D104-R132 IonicContact OD2-CZ 3.5Å; D104-R132 IonicContact OD2-NE 3.69Å; D104-R132 IonicContact OD2-NH2 3.1Å; D104-R132 PolarHBondContact OD2-NH2 3.16Å
105G81.1Confident80.6Confident50 Ų5048.5 Ų48.552%0.51526%0.262SS..G310 helixtrans-63.8-1.4175.800000115.8C103C103-G105 VanDerWaalsContact C-N 3.27Å; C103-G105 PolarHBondContact O-N 3.32Å
106M83.6Confident80.8Confident3 Ų343.7 Ų43.72%0.01525%0.249CC..G310 helixtrans-106-4.2174.4-63.2-57.3-70.300113.5L77 P79 V84 C103 D104 E108 H109 L110L77-M106 HydrophobicContact CB-CE 4.27Å; P79-M106 VanDerWaalsContact CA-SD 3.52Å; P79-M106 HydrophobicContact CB-SD 3.95Å; V84-M106 HydrophobicContact CB-CE 4.45Å; V84-M106 HydrophobicContact CG1-CE 3.68Å; V84-M106 HydrophobicContact CG2-CE 3.88Å; C103-M106 WeakPolarHBondContact O-CB 3.49Å; C103-M106 PolarHBondContact O-N 3.21Å; D104-M106 PolarHBondContact O-N 2.88Å; M106-E108 PolarHBondContact O-N 3.16Å; M106-H109 HydrophobicContact CE-CB 4.31Å; M106-H109 WeakPolarHBondContact O-CB 3.37Å; M106-H109 PolarHBondContact O-N 2.89Å; M106-H109 VanDerWaalsContact O-N 3.12Å; M106-L110 PolarHBondContact O-N 2.84Å
107L81.9Confident81Confident6 Ų642 Ų423%0.03124%0.24CC..G310 helixtrans-68-35.9-177-64.7170.8000112.5I53 L102 D104 H109 L110 R132 W135 L136I53-L107 HydrophobicContact CD1-CD2 4.14Å; L102-L107 HydrophobicContact CD1-CD2 4.44Å; D104-L107 HydrophobicContact CB-CD1 4.38Å; D104-L107 WeakPolarHBondContact O-CB 3.31Å; D104-L107 WeakPolarHBondContact O-CG 3.39Å; D104-L107 PolarHBondContact O-N 3.22Å; D104-L107 WeakPolarHBondContact OD1-CD1 3.44Å; L107-H109 PolarHBondContact O-N 2.84Å; L107-L110 WeakPolarHBondContact O-CB 3.49Å; L107-L110 PolarHBondContact O-N 2.86Å; L107-R132 HydrophobicContact CD1-CB 3.98Å; L107-R132 HydrophobicContact CD1-CG 3.71Å; L107-W135 HydrophobicContact CB-CB 4.04Å; L107-W135 HydrophobicContact CB-CG 4.19Å; L107-L136 HydrophobicContact CD2-CD2 4.48Å
108E77.2Confident81.5Confident122 Ų12238.7 Ų38.757%0.5722%0.222SC*.G310 helixtrans-61.5-27.3172.769.8-179.9176.900112.7M106 W135M106-E108 PolarHBondContact O-N 3.16Å; E108-W135 HydrophobicContact CB-CH2 4.12Å; E108-W135 HydrophobicContact CB-CZ2 4.17Å; E108-W135 HydrophobicContact CB-CZ3 4.44Å
109H75.6Confident81.8Confident83 Ų8335 Ų3538%0.38421%0.205SC..G310 helixtrans-84.1-11.3-177.6-68.984.2000113.1V84 L88 M106 L107 G111V84-H109 HydrophobicContact CG1-CB 4.49Å; L88-H109 VanDerWaalsContact CD1-O 3.23Å; L88-H109 WeakPolarHBondContact CD1-O 3.42Å; M106-H109 HydrophobicContact CE-CB 4.31Å; M106-H109 WeakPolarHBondContact O-CB 3.37Å; M106-H109 PolarHBondContact O-N 2.89Å; M106-H109 VanDerWaalsContact O-N 3.12Å; L107-H109 PolarHBondContact O-N 2.84Å; H109-G111 VanDerWaalsContact C-N 3.31Å; H109-G111 PolarHBondContact O-N 2.62Å
110L75Confident81.9Confident6 Ų634.4 Ų34.43%0.03120%0.2CC..  trans-67.5-29.5-173.8-125.168.6000113.4I51 L88 L102 M106 L107 V113I51-L110 HydrophobicContact CD1-CD2 4.01Å; L88-L110 HydrophobicContact CD2-CD1 4.12Å; L102-L110 HydrophobicContact CD1-CD1 3.43Å; L102-L110 VanDerWaalsContact CD1-CD1 3.43Å; L102-L110 HydrophobicContact CD1-CD2 4.02Å; L102-L110 HydrophobicContact CD1-CG 4.38Å; L102-L110 HydrophobicContact CD2-CD1 3.77Å; L102-L110 HydrophobicContact CG-CD1 4.26Å; M106-L110 PolarHBondContact O-N 2.84Å; L107-L110 WeakPolarHBondContact O-CB 3.49Å; L107-L110 PolarHBondContact O-N 2.86Å; L110-V113 HydrophobicContact CB-CG2 4.36Å; L110-V113 HydrophobicContact CD2-CG2 3.74Å; L110-V113 HydrophobicContact CG-CG2 3.77Å; L110-V113 WeakPolarHBondContact O-CG1 3.38Å
111G70.9Confident81.7Confident43 Ų4335.6 Ų35.644%0.44321%0.207SC..  trans61.9-139.3-173.100000111.4H109 S139H109-G111 VanDerWaalsContact C-N 3.31Å; H109-G111 PolarHBondContact O-N 2.62Å; G111-S139 VanDerWaalsContact O-CA 3.27Å; G111-S139 WeakPolarHBondContact O-CA 3.33Å; G111-S139 WeakPolarHBondContact O-CB 3.49Å; G111-S139 PolarHBondContact O-OG 3.13Å
112V68.2Low81.4Confident119 Ų11937.6 Ų37.672%0.72122%0.219SC*.SBendtrans-105117.5171.8-178.30000108.3
113V73.4Confident81Confident7 Ų740.5 Ų40.54%0.04224%0.235CC..  trans-137.9117.9-176.8-79.70000111.2I51 W91 L110 A115 S139I51-V113 HydrophobicContact CD1-CG2 4.41Å; W91-V113 HydrophobicContact CZ3-CB 4.31Å; L110-V113 HydrophobicContact CB-CG2 4.36Å; L110-V113 HydrophobicContact CD2-CG2 3.74Å; L110-V113 HydrophobicContact CG-CG2 3.77Å; L110-V113 WeakPolarHBondContact O-CG1 3.38Å; V113-A115 PolarHBondContact O-N 2.67Å; V113-S139 CarbonylContact C-O 3.52Å; V113-S139 PolarHBondContact N-O 2.88Å
114E71.3Confident80.5Confident156 Ų15640.8 Ų40.873%0.72924%0.236SC*.  trans-65.3108.5171.6-67177.4164.600109.8K49K49-E114 WeakPolarHBondContact CD-O 3.33Å
115A79.6Confident80.2Confident6 Ų645.2 Ų45.25%0.0526%0.256CS..  trans-116.6138.4171.400000108.8I51 W91 V113 V118 A140 A143I51-A115 HydrophobicContact CD1-CB 3.64Å; I51-A115 HydrophobicContact CG1-CB 3.9Å; W91-A115 HydrophobicContact CH2-CB 4.32Å; V113-A115 PolarHBondContact O-N 2.67Å; A115-V118 HydrophobicContact CB-CG2 4.45Å; A115-A140 HydrophobicContact CB-CB 4.14Å; A115-A143 VanDerWaalsContact O-CB 3.28Å; A115-A143 WeakPolarHBondContact O-CB 3.32Å
116N82.4Confident79.8Confident75 Ų7548.4 Ų48.440%0.40126%0.26SS..SBendtrans-88.2-32.7-179.7-58.192.7000111.5E48 K49 E144E48-N116 HydrophobicContact CB-CB 4.28Å; E48-N116 HydrophobicContact CG-CB 4.47Å; K49-N116 PolarHBondContact N-OD1 2.95Å; K49-N116 PolarHBondContact O-N 3.29Å; N116-E144 PolarHBondContact O-N 3.36Å
117L85.1Confident79.4Confident0 Ų054.3 Ų54.30%029%0.292CS..EExtended strand (participates in β ladder)trans-138.6132.4-178.3-18069000109.7T39 K49 T50 I51 I119 E144 L146T39-L117 HydrophobicContact CG2-CD2 4.42Å; K49-L117 PolarHBondContact O-N 3.33Å; T50-L117 CarbonylContact C-O 3.59Å; T50-L117 WeakPolarHBondContact CA-O 3.38Å; T50-L117 HydrophobicContact CG2-CB 4.2Å; T50-L117 HydrophobicContact CG2-CD2 3.85Å; T50-L117 HydrophobicContact CG2-CG 4.13Å; I51-L117 PolarHBondContact N-O 3.17Å; L117-I119 HydrophobicContact CD1-CG1 4.45Å; L117-I119 HydrophobicContact CD2-CD1 3.75Å; L117-I119 HydrophobicContact CD2-CG1 3.81Å; L117-I119 HydrophobicContact CG-CD1 4.34Å; L117-I119 HydrophobicContact CG-CG1 3.83Å; L117-E144 WeakPolarHBondContact CA-O 3.44Å; L117-E144 HydrophobicContact CD1-CB 3.98Å; L117-E144 HydrophobicContact CD1-CG 4.09Å; L117-L146 HydrophobicContact CD1-CB 4.1Å
118V88.3Confident79.1Confident0 Ų058.6 Ų58.60%031%0.31CS..EExtended strand (participates in β ladder)trans-118.5121.3169.6179.20000108.3I51 I53 A115 L136 A140 A143 E144 M145 L146I51-V118 HydrophobicContact CB-CG2 4.32Å; I51-V118 WeakPolarHBondContact O-CA 3.45Å; I53-V118 HydrophobicContact CD1-CG1 3.43Å; I53-V118 VanDerWaalsContact CD1-CG1 3.43Å; I53-V118 HydrophobicContact CG1-CG1 4.1Å; A115-V118 HydrophobicContact CB-CG2 4.45Å; V118-L136 HydrophobicContact CG1-CD1 4.04Å; V118-L136 HydrophobicContact CG1-CD2 4.27Å; V118-L136 HydrophobicContact CG2-CD2 4.4Å; V118-A140 HydrophobicContact CG2-CB 4.19Å; V118-A143 HydrophobicContact CG2-CB 3.86Å; V118-E144 PolarHBondContact N-O 2.82Å; V118-M145 HydrophobicContact CB-CE 4.42Å; V118-M145 HydrophobicContact CB-SD 3.67Å; V118-M145 HydrophobicContact CG1-SD 4.07Å; V118-M145 HydrophobicContact CG2-CE 4.35Å; V118-M145 HydrophobicContact CG2-SD 4.24Å; V118-L146 PolarHBondContact O-N 2.9Å
119I90.4Very high79.3Confident0 Ų053.8 Ų53.80%029%0.288CS..EExtended strand (participates in β ladder)trans-107.9115-179.9-48.4-178.2000109L36 L40 T50 I51 L52 I53 L117 T121 L146 I148L36-I119 HydrophobicContact CD1-CD1 3.57Å; L36-I119 HydrophobicContact CD1-CG2 3.9Å; L40-I119 HydrophobicContact CD2-CD1 4.26Å; T50-I119 HydrophobicContact CG2-CD1 3.87Å; T50-I119 HydrophobicContact CG2-CG1 4.08Å; I51-I119 PolarHBondContact O-N 2.8Å; L52-I119 WeakPolarHBondContact CA-O 3.5Å; L52-I119 HydrophobicContact CD2-CB 4.02Å; L52-I119 HydrophobicContact CD2-CD1 4.02Å; L52-I119 HydrophobicContact CD2-CG1 4.45Å; L52-I119 HydrophobicContact CD2-CG2 4.38Å; I53-I119 PolarHBondContact N-O 3.32Å; L117-I119 HydrophobicContact CD1-CG1 4.45Å; L117-I119 HydrophobicContact CD2-CD1 3.75Å; L117-I119 HydrophobicContact CD2-CG1 3.81Å; L117-I119 HydrophobicContact CG-CD1 4.34Å; L117-I119 HydrophobicContact CG-CG1 3.83Å; I119-T121 HydrophobicContact CG2-CG2 4.01Å; I119-T121 PolarHBondContact O-N 3.26Å; I119-L146 CarbonylContact C-O 3.56Å; I119-L146 VanDerWaalsContact CA-O 3.28Å; I119-L146 WeakPolarHBondContact CA-O 3.47Å; I119-L146 HydrophobicContact CD1-CD2 4.16Å; I119-L146 HydrophobicContact CG1-CB 4.25Å; I119-L146 HydrophobicContact CG1-CD2 4.16Å; I119-L146 HydrophobicContact CG2-CB 4.4Å; I119-L146 HydrophobicContact CG2-CD2 4.12Å; I119-L146 HydrophobicContact CG2-CG 4.24Å; I119-I148 HydrophobicContact CG2-CD1 4.1Å; I119-I148 HydrophobicContact CG2-CG1 4.29Å
120H90.5Very high79.5Confident0 Ų055.1 Ų55.10%029%0.294CS..EExtended strand (participates in β ladder)trans-84.9105.9171.7-60.9-115.3000107.7L123 F129 R132 L146 V147 I148H120-L123 HydrophobicContact CB-CD2 4.49Å; H120-F129 AromaticContact CE1-CE2 3.81Å; H120-F129 AromaticContact ND1-CE2 3.51Å; H120-R132 WeakPolarHBondContact ND1-CD 3.33Å; H120-L146 PolarHBondContact N-O 2.99Å; H120-V147 HydrophobicContact CB-CG1 4.45Å; H120-V147 HydrophobicContact CB-CG2 4.25Å; H120-I148 PolarHBondContact O-N 3.16Å
121T86.6Confident79.7Confident25 Ų2560.2 Ų60.215%0.15332%0.318CS..SBendtrans-91.3-21.3-177.156.50000113L36 L52 I53 C54 L63 I119L36-T121 HydrophobicContact CD2-CG2 3.97Å; L52-T121 HydrophobicContact CD2-CG2 4Å; I53-T121 PolarHBondContact O-N 2.82Å; I53-T121 PolarHBondContact O-OG1 3.18Å; I53-T121 VanDerWaalsContact O-OG1 3.04Å; C54-T121 PolarHBondContact SG-OG1 3.25Å; L63-T121 HydrophobicContact CD2-CG2 3.89Å; I119-T121 HydrophobicContact CG2-CG2 4.01Å; I119-T121 PolarHBondContact O-N 3.26Å
122T84.4Confident80.5Confident42 Ų4258.2 Ų58.226%0.25830%0.297SS..SBendtrans-136.5140.3166.349.20000109.7C54 Q55 E59 R132C54-T122 WeakPolarHBondContact CA-OG1 3.21Å; Q55-T122 PolarHBondContact N-OG1 3.37Å; E59-T122 WeakPolarHBondContact OE2-CG2 3.44Å; E59-T122 PolarHBondContact OE2-OG1 2.91Å; T122-R132 PolarHBondContact O-NH1 2.92Å
123L81.2Confident81.2Confident62 Ų6254.8 Ų54.833%0.32527%0.274SS..PPolyproline II helixtrans-101.8125.4-178.8-76.8173000110.6H120 F129 V147 T149H120-L123 HydrophobicContact CB-CD2 4.49Å; L123-F129 HydrophobicContact CD2-CD2 3.85Å; L123-F129 HydrophobicContact CD2-CE2 3.48Å; L123-F129 VanDerWaalsContact CD2-CE2 3.48Å; L123-F129 HydrophobicContact CD2-CZ 4.1Å; L123-V147 HydrophobicContact CD1-CG1 3.68Å; L123-V147 HydrophobicContact CD2-CG1 3.71Å; L123-V147 HydrophobicContact CG-CG1 3.88Å; L123-T149 HydrophobicContact CD1-CG2 4.25Å
124P78.8Confident81.5Confident14 Ų1461.2 Ų61.29%0.09130%0.302CS..PPolyproline II helixtrans-87.3171.4172.538.2-34.2000111Q55 K128 F129Q55-P124 HydrophobicContact CG-CB 4.28Å; P124-K128 HydrophobicContact CB-CB 3.93Å; P124-K128 HydrophobicContact CG-CB 4.15Å; P124-F129 HydrophobicContact CG-CB 4.02Å; P124-F129 HydrophobicContact CG-CD2 4.4Å
125E77.6Confident81.9Confident131 Ų13158.2 Ų58.261%0.61228%0.284SS*.PPolyproline II helixtrans-49.2146.9170.2-63.5159.9153.200112.2N127 K128 F129E125-N127 VanDerWaalsContact C-N 3.31Å; E125-N127 PolarHBondContact O-N 3.29Å; E125-N127 VanDerWaalsContact O-N 3.1Å; E125-K128 WeakPolarHBondContact O-CA 3.41Å; E125-K128 PolarHBondContact O-N 3.09Å; E125-K128 IonicContact OE2-NZ 2.71Å; E125-K128 PolarHBondContact OE2-NZ 3.22Å; E125-F129 PolarHBondContact O-N 3.12Å
126L74.4Confident81.9Confident117 Ų11758 Ų5861%0.61328%0.282SS*.Hα-helixtrans-46.7-48.3-171.5-173.566.4000113.8K128 F129 E130L126-K128 VanDerWaalsContact C-N 3.31Å; L126-K128 PolarHBondContact O-N 3Å; L126-F129 CarbonylContact O-C 3.58Å; L126-F129 WeakPolarHBondContact O-CB 3.39Å; L126-F129 PolarHBondContact O-N 3.16Å; L126-F129 VanDerWaalsContact O-N 3.08Å; L126-E130 WeakPolarHBondContact O-CG 3.14Å; L126-E130 PolarHBondContact O-N 3.1Å
127N73.7Confident81.5Confident127 Ų12758 Ų5868%0.67929%0.287SS*.Hα-helixtrans-59.8-38.3-179.9-61.5-15.2000113E125 E131E125-N127 VanDerWaalsContact C-N 3.31Å; E125-N127 PolarHBondContact O-N 3.29Å; E125-N127 VanDerWaalsContact O-N 3.1Å; N127-E131 PolarHBondContact O-N 2.92Å; N127-E131 VanDerWaalsContact O-N 3.17Å
128K76.4Confident80.8Confident95 Ų9561.9 Ų61.941%0.41331%0.307SS..Hα-helixtrans-78.4-29.5176.7-69.1173.8-175146.40111.6P124 E125 L126 E131 R132P124-K128 HydrophobicContact CB-CB 3.93Å; P124-K128 HydrophobicContact CG-CB 4.15Å; E125-K128 WeakPolarHBondContact O-CA 3.41Å; E125-K128 PolarHBondContact O-N 3.09Å; E125-K128 IonicContact OE2-NZ 2.71Å; E125-K128 PolarHBondContact OE2-NZ 3.22Å; L126-K128 VanDerWaalsContact C-N 3.31Å; L126-K128 PolarHBondContact O-N 3Å; K128-E131 PolarHBondContact O-N 2.77Å; K128-R132 WeakPolarHBondContact O-CB 3.49Å; K128-R132 PolarHBondContact O-N 3.13Å
129F82.2Confident79.8Confident22 Ų2262.1 Ų62.110%0.09631%0.309CS..Hα-helixtrans-67.9-41.5172.6-172.8-111.9000111.1F21 H120 L123 P124 E125 L126 E131 R132 L133F21-F129 HydrophobicContact CE1-CZ 4.43Å; H120-F129 AromaticContact CE1-CE2 3.81Å; H120-F129 AromaticContact ND1-CE2 3.51Å; L123-F129 HydrophobicContact CD2-CD2 3.85Å; L123-F129 HydrophobicContact CD2-CE2 3.48Å; L123-F129 VanDerWaalsContact CD2-CE2 3.48Å; L123-F129 HydrophobicContact CD2-CZ 4.1Å; P124-F129 HydrophobicContact CG-CB 4.02Å; P124-F129 HydrophobicContact CG-CD2 4.4Å; E125-F129 PolarHBondContact O-N 3.12Å; L126-F129 CarbonylContact O-C 3.58Å; L126-F129 WeakPolarHBondContact O-CB 3.39Å; L126-F129 PolarHBondContact O-N 3.16Å; L126-F129 VanDerWaalsContact O-N 3.08Å; F129-E131 PolarHBondContact O-N 3.23Å; F129-R132 WeakPolarHBondContact O-CB 3.31Å; F129-R132 PolarHBondContact O-N 3.36Å; F129-L133 HydrophobicContact CD1-CD1 3.97Å; F129-L133 HydrophobicContact CD1-CG 4.38Å; F129-L133 HydrophobicContact CE1-CD1 3.63Å; F129-L133 HydrophobicContact CE1-CG 4.16Å; F129-L133 HydrophobicContact CZ-CD1 4.18Å; F129-L133 HydrophobicContact CZ-CD2 4.32Å; F129-L133 HydrophobicContact CZ-CG 4.32Å; F129-L133 WeakPolarHBondContact O-CG 3.34Å; F129-L133 PolarHBondContact O-N 3.19Å
130E79.1Confident78.7Confident111 Ų11162.3 Ų62.352%0.51931%0.31SS..Hα-helixtrans-61.3-41.1171.7-72.4-178.2-179.500112.1L126 L133 K134L126-E130 WeakPolarHBondContact O-CG 3.14Å; L126-E130 PolarHBondContact O-N 3.1Å; E130-L133 PolarHBondContact O-N 2.95Å; E130-K134 WeakPolarHBondContact O-CB 3.39Å; E130-K134 PolarHBondContact O-N 2.85Å
131E79.4Confident77.4Confident112 Ų11271.5 Ų71.552%0.52335%0.345SS..Hα-helixtrans-62.6-46.1172.7-171.4178.9-174.800112.1N127 K128 F129 L133 K134 W135N127-E131 PolarHBondContact O-N 2.92Å; N127-E131 VanDerWaalsContact O-N 3.17Å; K128-E131 PolarHBondContact O-N 2.77Å; F129-E131 PolarHBondContact O-N 3.23Å; E131-L133 VanDerWaalsContact C-N 3.31Å; E131-L133 PolarHBondContact O-N 2.88Å; E131-K134 WeakPolarHBondContact O-CB 3.27Å; E131-K134 PolarHBondContact O-N 2.83Å; E131-K134 VanDerWaalsContact O-N 3.15Å; E131-W135 PolarHBondContact O-N 2.84Å
132R87.1Confident76.4Confident2 Ų278.5 Ų78.51%0.00838%0.381CS..Hα-helixtrans-55.5-45.7173.4175.3-174.1-64.8-177.79.8111.1D104 L107 H120 T122 K128 F129 W135 L136D104-R132 IonicContact OD1-CZ 3.27Å; D104-R132 IonicContact OD1-NE 2.72Å; D104-R132 PolarHBondContact OD1-NE 3.33Å; D104-R132 IonicContact OD1-NH2 2.68Å; D104-R132 PolarHBondContact OD1-NH2 3.09Å; D104-R132 IonicContact OD2-CZ 3.5Å; D104-R132 IonicContact OD2-NE 3.69Å; D104-R132 IonicContact OD2-NH2 3.1Å; D104-R132 PolarHBondContact OD2-NH2 3.16Å; L107-R132 HydrophobicContact CD1-CB 3.98Å; L107-R132 HydrophobicContact CD1-CG 3.71Å; H120-R132 WeakPolarHBondContact ND1-CD 3.33Å; T122-R132 PolarHBondContact O-NH1 2.92Å; K128-R132 WeakPolarHBondContact O-CB 3.49Å; K128-R132 PolarHBondContact O-N 3.13Å; F129-R132 WeakPolarHBondContact O-CB 3.31Å; F129-R132 PolarHBondContact O-N 3.36Å; R132-W135 PolarHBondContact O-N 2.84Å; R132-L136 HydrophobicContact CG-CD1 4Å; R132-L136 VanDerWaalsContact O-CG 3.32Å; R132-L136 WeakPolarHBondContact O-CG 2.98Å; R132-L136 PolarHBondContact O-N 3.05Å
133L82.4Confident76Confident46 Ų4676.8 Ų76.824%0.24137%0.371CS..Hα-helixtrans-66.1-36.5177.4-70.7-177.3000112.6F21 F129 E130 E131 L136 S137F21-L133 HydrophobicContact CE1-CD2 3.75Å; F21-L133 HydrophobicContact CZ-CD1 4.05Å; F21-L133 HydrophobicContact CZ-CD2 3.65Å; F129-L133 HydrophobicContact CD1-CD1 3.97Å; F129-L133 HydrophobicContact CD1-CG 4.38Å; F129-L133 HydrophobicContact CE1-CD1 3.63Å; F129-L133 HydrophobicContact CE1-CG 4.16Å; F129-L133 HydrophobicContact CZ-CD1 4.18Å; F129-L133 HydrophobicContact CZ-CD2 4.32Å; F129-L133 HydrophobicContact CZ-CG 4.32Å; F129-L133 WeakPolarHBondContact O-CG 3.34Å; F129-L133 PolarHBondContact O-N 3.19Å; E130-L133 PolarHBondContact O-N 2.95Å; E131-L133 VanDerWaalsContact C-N 3.31Å; E131-L133 PolarHBondContact O-N 2.88Å; L133-L136 HydrophobicContact CD2-CD1 4.48Å; L133-L136 PolarHBondContact O-N 2.83Å; L133-S137 WeakPolarHBondContact O-CB 3.47Å; L133-S137 PolarHBondContact O-N 2.81Å
134K79.9Confident76.1Confident143 Ų14376.9 Ų76.962%0.62237%0.37SS*.Hα-helixtrans-60.6-47.1174.7-174.9-179.2178.7-177.50111.1E130 E131 S137 I138E130-K134 WeakPolarHBondContact O-CB 3.39Å; E130-K134 PolarHBondContact O-N 2.85Å; E131-K134 WeakPolarHBondContact O-CB 3.27Å; E131-K134 PolarHBondContact O-N 2.83Å; E131-K134 VanDerWaalsContact O-N 3.15Å; K134-S137 PolarHBondContact O-N 2.84Å; K134-S137 PolarHBondContact O-OG 3.33Å; K134-I138 PolarHBondContact O-N 2.91Å
135W80.2Confident76.4Confident93 Ų9376.6 Ų76.635%0.35237%0.368SS..Hα-helixtrans-62-46.6174.3-73111.8000111.9L107 E108 E131 R132 S137 I138 S139L107-W135 HydrophobicContact CB-CB 4.04Å; L107-W135 HydrophobicContact CB-CG 4.19Å; E108-W135 HydrophobicContact CB-CH2 4.12Å; E108-W135 HydrophobicContact CB-CZ2 4.17Å; E108-W135 HydrophobicContact CB-CZ3 4.44Å; E131-W135 PolarHBondContact O-N 2.84Å; R132-W135 PolarHBondContact O-N 2.84Å; W135-S137 VanDerWaalsContact C-N 3.29Å; W135-S137 PolarHBondContact O-N 2.87Å; W135-I138 WeakPolarHBondContact O-CB 3.41Å; W135-I138 PolarHBondContact O-N 3.34Å; W135-I138 VanDerWaalsContact O-N 3.08Å; W135-S139 WeakPolarHBondContact O-CB 3.37Å; W135-S139 PolarHBondContact O-N 3.47Å; W135-S139 PolarHBondContact O-OG 3.45Å
136L80.3Confident76.9Confident2 Ų271 Ų711%0.0134%0.342CS..Hα-helixtrans-62.9-31.1177.5-69.8171.2000113.8I53 L107 V118 R132 L133 I138 S139 A140 M145I53-L136 HydrophobicContact CD1-CD1 3.72Å; I53-L136 HydrophobicContact CD1-CD2 3.85Å; I53-L136 HydrophobicContact CD1-CG 4.27Å; L107-L136 HydrophobicContact CD2-CD2 4.48Å; V118-L136 HydrophobicContact CG1-CD1 4.04Å; V118-L136 HydrophobicContact CG1-CD2 4.27Å; V118-L136 HydrophobicContact CG2-CD2 4.4Å; R132-L136 HydrophobicContact CG-CD1 4Å; R132-L136 VanDerWaalsContact O-CG 3.32Å; R132-L136 WeakPolarHBondContact O-CG 2.98Å; R132-L136 PolarHBondContact O-N 3.05Å; L133-L136 HydrophobicContact CD2-CD1 4.48Å; L133-L136 PolarHBondContact O-N 2.83Å; L136-I138 PolarHBondContact O-N 2.89Å; L136-S139 PolarHBondContact O-N 2.93Å; L136-A140 HydrophobicContact CD2-CB 4.35Å; L136-A140 CarbonylContact O-C 3.59Å; L136-A140 WeakPolarHBondContact O-CA 3.32Å; L136-A140 PolarHBondContact O-N 3.16Å; L136-M145 HydrophobicContact CB-CE 4.42Å
137S73.4Confident77.5Confident74 Ų7465.4 Ų65.452%0.51731%0.313SS..Hα-helixtrans-66.1-27175.279.20000113.3L133 K134 W135L133-S137 WeakPolarHBondContact O-CB 3.47Å; L133-S137 PolarHBondContact O-N 2.81Å; K134-S137 PolarHBondContact O-N 2.84Å; K134-S137 PolarHBondContact O-OG 3.33Å; W135-S137 VanDerWaalsContact C-N 3.29Å; W135-S137 PolarHBondContact O-N 2.87Å
138I70Confident78.1Confident82 Ų8259.8 Ų59.842%0.42128%0.282SS..Hα-helixtrans-83.5-45.5174-60.5166.2000109.5K134 W135 L136K134-I138 PolarHBondContact O-N 2.91Å; W135-I138 WeakPolarHBondContact O-CB 3.41Å; W135-I138 PolarHBondContact O-N 3.34Å; W135-I138 VanDerWaalsContact O-N 3.08Å; L136-I138 PolarHBondContact O-N 2.89Å
139S67.9Low78.1Confident5 Ų556.7 Ų56.74%0.03527%0.272CS..Hα-helixtrans-82.4-46.9-169.8-61.40000114.6G111 V113 W135 L136G111-S139 VanDerWaalsContact O-CA 3.27Å; G111-S139 WeakPolarHBondContact O-CA 3.33Å; G111-S139 WeakPolarHBondContact O-CB 3.49Å; G111-S139 PolarHBondContact O-OG 3.13Å; V113-S139 CarbonylContact C-O 3.52Å; V113-S139 PolarHBondContact N-O 2.88Å; W135-S139 WeakPolarHBondContact O-CB 3.37Å; W135-S139 PolarHBondContact O-N 3.47Å; W135-S139 PolarHBondContact O-OG 3.45Å; L136-S139 PolarHBondContact O-N 2.93Å
140A66.8Low76.9Confident3 Ų358.8 Ų58.83%0.02529%0.288CS..SBendtrans-124.762.6-164.800000111.7A115 V118 L136 N142 A143A115-A140 HydrophobicContact CB-CB 4.14Å; V118-A140 HydrophobicContact CG2-CB 4.19Å; L136-A140 HydrophobicContact CD2-CB 4.35Å; L136-A140 CarbonylContact O-C 3.59Å; L136-A140 WeakPolarHBondContact O-CA 3.32Å; L136-A140 PolarHBondContact O-N 3.16Å; A140-N142 PolarHBondContact O-N 2.85Å; A140-A143 HydrophobicContact CB-CB 4.32Å; A140-A143 PolarHBondContact O-N 3.27Å
141R63.4Low75.5Confident193 Ų19357 Ų5773%0.72829%0.287SS*.THydrogen-bonded Turntrans-61.2134.5-179.3-68.1-175.5177.7-170.9-0.2111.6A143R141-A143 PolarHBondContact O-N 3.41Å
142N66.3Low73.8Confident172 Ų17255.7 Ų55.792%0.9228%0.283SS*.THydrogen-bonded Turntrans63.816.2177.8-51.1-22000116A140A140-N142 PolarHBondContact O-N 2.85Å
143A76.8Confident71.5Confident6 Ų660.6 Ų60.65%0.0531%0.306CS..PPolyproline II helixtrans-66.4142.7172.100000111.7A115 V118 A140 R141 M145A115-A143 VanDerWaalsContact O-CB 3.28Å; A115-A143 WeakPolarHBondContact O-CB 3.32Å; V118-A143 HydrophobicContact CG2-CB 3.86Å; A140-A143 HydrophobicContact CB-CB 4.32Å; A140-A143 PolarHBondContact O-N 3.27Å; R141-A143 PolarHBondContact O-N 3.41Å; A143-M145 HydrophobicContact CB-CE 4.26Å
144E82.3Confident69.2Low64 Ų6466.6 Ų66.630%0.29933%0.333SS..EExtended strand (participates in β ladder)trans-67.1132.8163.9-176.3173.6-15300108.7K13 R43 N116 L117 V118K13-E144 IonicContact NZ-OE1 3.44Å; K13-E144 PolarHBondContact NZ-OE1 3.33Å; R43-E144 IonicContact CZ-OE2 3.82Å; R43-E144 IonicContact NH1-OE2 3.68Å; R43-E144 IonicContact NH2-OE2 2.67Å; R43-E144 PolarHBondContact NH2-OE2 3.49Å; N116-E144 PolarHBondContact O-N 3.36Å; L117-E144 WeakPolarHBondContact CA-O 3.44Å; L117-E144 HydrophobicContact CD1-CB 3.98Å; L117-E144 HydrophobicContact CD1-CG 4.09Å; V118-E144 PolarHBondContact N-O 2.82Å
145M85.9Confident66.8Low9 Ų965.3 Ų65.34%0.04433%0.333CS..EExtended strand (participates in β ladder)trans-101.9119.2177.1-60.4-72.3169.400109T19 T20 F21 T22 V118 L136 A143T19-M145 HydrophobicContact CG2-CB 4.41Å; T19-M145 HydrophobicContact CG2-CE 4.23Å; T19-M145 HydrophobicContact CG2-CG 3.44Å; T19-M145 VanDerWaalsContact CG2-CG 3.44Å; T20-M145 PolarHBondContact O-N 3.16Å; F21-M145 CarbonylContact C-O 3.57Å; F21-M145 WeakPolarHBondContact CA-O 3.49Å; F21-M145 HydrophobicContact CD1-CB 3.36Å; F21-M145 HydrophobicContact CD1-CG 3.95Å; F21-M145 HydrophobicContact CE1-CB 3.58Å; F21-M145 HydrophobicContact CE1-CG 3.62Å; F21-M145 HydrophobicContact CE1-SD 4.37Å; F21-M145 HydrophobicContact CG-CB 4Å; F21-M145 HydrophobicContact CZ-CB 4.38Å; F21-M145 HydrophobicContact CZ-CG 4.06Å; T22-M145 PolarHBondContact N-O 3.06Å; V118-M145 HydrophobicContact CB-CE 4.42Å; V118-M145 HydrophobicContact CB-SD 3.67Å; V118-M145 HydrophobicContact CG1-SD 4.07Å; V118-M145 HydrophobicContact CG2-CE 4.35Å; V118-M145 HydrophobicContact CG2-SD 4.24Å; L136-M145 HydrophobicContact CB-CE 4.42Å; A143-M145 HydrophobicContact CB-CE 4.26Å
146L87Confident64.4Low13 Ų1369.8 Ų69.87%0.06836%0.358CS..EExtended strand (participates in β ladder)trans-108.3128170.6177.863.7000108.5T22 A24 F35 T39 L117 V118 I119 H120T22-L146 HydrophobicContact CG2-CD1 4.13Å; T22-L146 CarbonylContact O-C 3.6Å; T22-L146 WeakPolarHBondContact O-CA 3.39Å; T22-L146 WeakPolarHBondContact O-CD1 3.48Å; A24-L146 HydrophobicContact CB-CD1 4.15Å; F35-L146 HydrophobicContact CE1-CD2 4.3Å; T39-L146 HydrophobicContact CG2-CD2 4.29Å; L117-L146 HydrophobicContact CD1-CB 4.1Å; V118-L146 PolarHBondContact O-N 2.9Å; I119-L146 CarbonylContact C-O 3.56Å; I119-L146 VanDerWaalsContact CA-O 3.28Å; I119-L146 WeakPolarHBondContact CA-O 3.47Å; I119-L146 HydrophobicContact CD1-CD2 4.16Å; I119-L146 HydrophobicContact CG1-CB 4.25Å; I119-L146 HydrophobicContact CG1-CD2 4.16Å; I119-L146 HydrophobicContact CG2-CB 4.4Å; I119-L146 HydrophobicContact CG2-CD2 4.12Å; I119-L146 HydrophobicContact CG2-CG 4.24Å; H120-L146 PolarHBondContact N-O 2.99Å
147V87.4Confident62.2Low0 Ų079.1 Ų79.10%040%0.398CS..EExtended strand (participates in β ladder)trans-115.2118.6176.6-179.50000107.9F21 T22 Y23 A24 H120 L123F21-V147 HydrophobicContact CD1-CG2 4.07Å; T22-V147 PolarHBondContact O-N 3.38Å; Y23-V147 WeakPolarHBondContact CA-O 3.37Å; Y23-V147 HydrophobicContact CD1-CB 3.66Å; Y23-V147 HydrophobicContact CD1-CG1 3.66Å; Y23-V147 HydrophobicContact CD1-CG2 4.3Å; Y23-V147 HydrophobicContact CE1-CB 3.77Å; Y23-V147 HydrophobicContact CE1-CG1 3.63Å; Y23-V147 HydrophobicContact CE1-CG2 3.97Å; Y23-V147 HydrophobicContact CG-CB 4.24Å; A24-V147 PolarHBondContact N-O 2.97Å; H120-V147 HydrophobicContact CB-CG1 4.45Å; H120-V147 HydrophobicContact CB-CG2 4.25Å; L123-V147 HydrophobicContact CD1-CG1 3.68Å; L123-V147 HydrophobicContact CD2-CG1 3.71Å; L123-V147 HydrophobicContact CG-CG1 3.88Å
148I86.5Confident60.2Low8 Ų884.9 Ų84.94%0.04142%0.417CS..EExtended strand (participates in β ladder)trans-90.2109170.1-62.4179.6000106.5P26 F35 L36 I119 H120P26-I148 HydrophobicContact CG-CG2 4.11Å; F35-I148 HydrophobicContact CD1-CD1 4.3Å; L36-I148 HydrophobicContact CB-CD1 4.18Å; L36-I148 HydrophobicContact CD1-CD1 3.96Å; L36-I148 HydrophobicContact CG-CD1 4.47Å; I119-I148 HydrophobicContact CG2-CD1 4.1Å; I119-I148 HydrophobicContact CG2-CG1 4.29Å; H120-I148 PolarHBondContact O-N 3.16Å
149T76.1Confident58.2Low30 Ų3084.4 Ų84.418%0.18443%0.432CS..  trans-75128.817037.90000108.5Y23 A24 S25 L123Y23-T149 HydrophobicContact CD1-CG2 4.13Å; A24-T149 PolarHBondContact O-N 3.44Å; A24-T149 PolarHBondContact O-OG1 3.27Å; S25-T149 WeakPolarHBondContact CA-OG1 3.26Å; S25-T149 PolarHBondContact OG-OG1 3Å; L123-T149 HydrophobicContact CD1-CG2 4.25Å
150P58Low56.2Low67 Ų6794.1 Ų94.144%0.43547%0.474SS..  trans-61.3145.2165.328.2-33.2000109.1D152P150-D152 VanDerWaalsContact C-N 3.31Å; P150-D152 WeakPolarHBondContact CB-OD1 3.48Å; P150-D152 VanDerWaalsContact CG-OD1 3.28Å; P150-D152 WeakPolarHBondContact CG-OD1 3.46Å; P150-D152 PolarHBondContact O-N 3.47Å; P150-D152 VanDerWaalsContact O-N 3.1Å
151C49.6Very low54.3Low74 Ų7497.4 Ų97.450%0.551%0.508SS..  trans-81.887169.6-155.50000107.2P26 E153P26-C151 WeakPolarHBondContact O-CB 3.5Å; C151-E153 PolarHBondContact O-N 3.1Å
152D42.4Very low52.7Low84 Ų8496.9 Ų96.945%0.44951%0.514SS..  trans-75.184.6-178-67.6-18.7000110.8P150 E154 N155P150-D152 VanDerWaalsContact C-N 3.31Å; P150-D152 WeakPolarHBondContact CB-OD1 3.48Å; P150-D152 VanDerWaalsContact CG-OD1 3.28Å; P150-D152 WeakPolarHBondContact CG-OD1 3.46Å; P150-D152 PolarHBondContact O-N 3.47Å; P150-D152 VanDerWaalsContact O-N 3.1Å; D152-E154 PolarHBondContact O-N 3.39Å; D152-E154 VanDerWaalsContact O-N 3.09Å; D152-N155 HydrophobicContact CB-CB 3.95Å; D152-N155 PolarHBondContact O-N 3.47Å; D152-N155 PolarHBondContact OD2-ND2 3.23Å
153E38.3Very low50.8Low104 Ų10495.5 Ų95.549%0.48651%0.512SS..THydrogen-bonded Turntrans-66.4-2.3167.7-61.4-175.3142.300112.8C151 S910 N911C151-E153 PolarHBondContact O-N 3.1Å; E153-S910 WeakPolarHBondContact OE2-CB 3.16Å; E153-S910 PolarHBondContact OE2-OG 2.85Å; E153-N911 PolarHBondContact OE2-ND2 2.77Å
154E35.2Very low48.3Very low172 Ų172104.4 Ų104.480%0.80455%0.552SS**THydrogen-bonded Turntrans-97.4-15.2178.9-62.3-168147.400114.1D152D152-E154 PolarHBondContact O-N 3.39Å; D152-E154 VanDerWaalsContact O-N 3.09Å
155N28.9Very low45.9Very low116 Ų116106.7 Ų106.762%0.6257%0.573SS**SBendtrans-96.8-3.7-172.4-82.5-32.2000116D152 K157D152-N155 HydrophobicContact CB-CB 3.95Å; D152-N155 PolarHBondContact O-N 3.47Å; D152-N155 PolarHBondContact OD2-ND2 3.23Å; N155-K157 PolarHBondContact O-N 3.01Å
156E29.8Very low42.8Very low187 Ų187115.7 Ų115.787%0.87462%0.615SS**THydrogen-bonded Turntrans-78.710.2175.5-74.4-161.6156.100114.8
157K34.1Very low39.8Very low199 Ų199122.5 Ų122.587%0.86565%0.65SS**THydrogen-bonded Turntrans-105.94.3-175-77.5-173.1177.9175.10116.8N155N155-K157 PolarHBondContact O-N 3.01Å
158E31.9Very low36.7Very low194 Ų194127.7 Ų127.791%0.90768%0.681SS**SBendtrans-123.394.1166.1-68.9-166.3159.200110.3
159G27Very low33.7Very low72 Ų72135.3 Ų135.374%0.74272%0.717SS**  trans152.626.817500000119.8G161G159-G161 PolarHBondContact O-N 2.98Å
160K27.1Very low31.3Very low210 Ų210142.7 Ų142.791%0.91375%0.749SS**  trans-89.977.2162.1-81.9-163.3174.4-171.30111.5
161G26.5Very low29.5Very low72 Ų72151.3 Ų151.374%0.74277%0.773SS**  trans-97.9114.9150.100000107.8G159G159-G161 PolarHBondContact O-N 2.98Å
162E30.1Very low28.4Very low182 Ų182155.7 Ų155.785%0.8579%0.788SS**  trans-72.5130.9-173.6-62.8175.6145.600112
163T25.3Very low27.8Very low143 Ų143156.7 Ų156.788%0.87780%0.799SS**  trans-162.6122.2141.8-1.40000110.3
164E25.5Very low27Very low192 Ų192158 Ų15890%0.89781%0.809SS**  trans-79.5165.1174.1-98.5-166.5156.800112.1
165P31.6Very low26.4Very low113 Ų113158 Ų15873%0.73481%0.806SS**  trans-94.1146.9-150.735.3-36.3000115.3
166E21.5Very low26.1Very low197 Ų197158 Ų15892%0.92181%0.81SS**  trans-106.3142.6156.7-79.3-163.9145.400112
167I23.9Very low25.8Very low156 Ų156156.5 Ų156.580%0.881%0.808SS**  trans-88.8161.8-179.4-51.1170.9000108.4
168V21.8Very low25.4Very low109 Ų109150.4 Ų150.466%0.66180%0.795SS**  trans118.9106.9147.9-177.70000116.9
169Q22.4Very low25.2Very low169 Ų169148 Ų14879%0.7979%0.787SS**  trans59.2123.2141.5-63.7165.81.400122.6
170Q26.6Very low25Very low184 Ų184151.7 Ų151.786%0.8679%0.79SS**  20.5118127.6-66.1-179.1-18.700118.9
171R20.9Very low25Very low249 Ų249146.2 Ų146.294%0.9478%0.779SS**  -161.1111.9128.9-109.2164.5-170.9-171.73.4112.4
172M24.9Very low24.9Very low165 Ų165151.3 Ų151.381%0.81379%0.787SS**  trans-60.1153.9145.7-81.4-172.182.600108.3
173P30.3Very low24.7Very low106 Ų106146.7 Ų146.769%0.68878%0.78SS**  -158.816256.542.4-20.2000121.6
174L22.1Very low24.6Very low132 Ų132146.4 Ų146.469%0.69177%0.772SS**  trans68.8131.6135.9-72.5166000123.8
175K21.6Very low24.5Very low170 Ų170148.4 Ų148.474%0.73977%0.773SS**  trans82.4121.5139.2-75.1177.3172.4-175.80118.4
176V23Very low24.1Very low118 Ų118150.2 Ų150.272%0.71577%0.772SS**  70.6118.568.4171.20000108.7
177D24.1Very low24.3Very low154 Ų154148 Ų14882%0.82477%0.765SS**  -164.1177.871.1-134-35000117.1
178A26.4Very low24.3Very low71 Ų71147.9 Ų147.959%0.58776%0.758SS**  trans90.291.4150.800000122.4
179L25.9Very low24.4Very low144 Ų144149 Ų14975%0.75476%0.756SS**  67.5114.9119.4-72.7151.1000121.2
180N24.3Very low24.5Very low150 Ų150147.9 Ų147.980%0.80276%0.756SS**  -164.615979.8-103.1-44.3000114.8
181S25.9Very low24.4Very low95 Ų95145.1 Ų145.166%0.66475%0.752SS**  trans-96.1165-171.451.30000114.2
182I25.6Very low24.9Very low178 Ų178138.8 Ų138.891%0.91374%0.743SS**  -167.3156.1124-96.1155.2000109.3
183A24.3Very low26.2Very low86 Ų86136.4 Ų136.471%0.71174%0.74SS**  trans-103.8163.4-152.500000116.9
184L23.2Very low25.9Very low137 Ų137137.4 Ų137.472%0.71774%0.744SS**  trans-8.4146.6149.9-71.1146.7000119.1E186L184-E186 HydrophobicContact CD2-CG 4.08Å
185Y23.3Very low26.2Very low233 Ų233135.9 Ų135.991%0.91474%0.744SS**  -134.9124.3128.7-109.3-85.4000110.1
186E25Very low26.4Very low152 Ų152132 Ų13271%0.7174%0.739SS**  trans-89.6169.5166.2-61.1-179.1134.300110.4L184L184-E186 HydrophobicContact CD2-CG 4.08Å
187I25.1Very low26.7Very low151 Ų151133.9 Ų133.977%0.77474%0.74SS**  -173.1109.5120.7-93.6156.1000111.2
188K23.3Very low26.7Very low152 Ų152132.2 Ų132.266%0.66173%0.731SS**  trans51.4139.8133.2-68.5-178.3154.4-128.20125.2
189E24.4Very low26.7Very low132 Ų132137.7 Ų137.762%0.61774%0.738SS**  trans68.3124.5132.1-72.4165.4-163.900118.7
190N23.3Very low26.6Very low146 Ų146139.7 Ų139.778%0.78174%0.74SS**  -166.7142.151.3-95.9-49.3000113.8
191T24.6Very low26.8Very low126 Ų126136.8 Ų136.877%0.77374%0.737SS**  trans-75.3171150.120.20000110
192P32.4Very low26.8Very low117 Ų117141.6 Ų141.676%0.7675%0.749SS**  cis-146.4-163.441.146.8-23.9000114.3
193P52.5Low26.9Very low114 Ų114137 Ų13774%0.7474%0.737SS**  trans-114.5-172.2-156.943.5-33.6000113.9
194T24.4Very low27Very low128 Ų128140.3 Ų140.379%0.78574%0.743SS**  trans-167.4117.5152.35.60000108.1
195S27Very low27.1Very low99 Ų99139.1 Ų139.169%0.69274%0.741SS**  68.6136.2100.773.70000111.9
196S26.8Very low27.3Very low89 Ų89134.7 Ų134.762%0.62273%0.733SS**  cis171.7178.511.850.10000103.1
197E27.9Very low27.3Very low158 Ų158135.2 Ų135.274%0.73874%0.74SS**  cis-165-17914.7-135.7142.6-179.300109.6
198D25.9Very low27.3Very low118 Ų118133 Ų13363%0.63174%0.738SS**  trans86.589.6150.7-61.4-9.9000123.8
199Y25.8Very low27.4Very low186 Ų186130.6 Ų130.673%0.72975%0.746SS**  63.9115.7120-65.1-66.4000124
200K24.7Very low27.5Very low186 Ų186128 Ų12881%0.80975%0.748SS**  30.9121.4115.1-65.4-174-178.9179.90118
201A27.5Very low27.6Very low89 Ų89127.9 Ų127.974%0.73675%0.752SS**  89.5160.658.400000114
202E26.9Very low27.6Very low196 Ų196126.8 Ų126.892%0.91676%0.756SS**  trans91.4142.3-171.9-61.7-177.7-179.500116
203A26.6Very low27.2Very low81 Ų81125.5 Ų125.567%0.66976%0.755SS**  cis-163.6158.4-24.100000111.6
204D27.1Very low25.8Very low156 Ų156126.7 Ų126.783%0.83476%0.761SS**  trans86.4147.3130.7-101.4-5000126.5
205V25.6Very low26Very low112 Ų112127.9 Ų127.968%0.67976%0.76SS**  trans106.196.8138.5155.50000121.6
206L26.1Very low26.3Very low141 Ų141128.3 Ų128.374%0.73876%0.761SS**  trans86.5103.7130.1-66.2179.1000124.5
207L25.6Very low26.3Very low162 Ų162130.3 Ų130.385%0.84877%0.765SS**  85.3166.8114.1-126.877.2000121.5
208S25.6Very low26.1Very low105 Ų105128.4 Ų128.473%0.73476%0.76SS**  trans-129.8159.7-145.554.30000114.2
209A24.6Very low26.1Very low101 Ų101129.1 Ų129.184%0.83576%0.763SS**  trans167.2158.5145.300000110.7
210A26.7Very low26.1Very low79 Ų79128.6 Ų128.665%0.65377%0.765SS**  cis-170.5147.8-30.500000110
211T25.3Very low26Very low143 Ų143128.3 Ų128.388%0.87777%0.766SS**  trans61148.6147.846.50000123.1
212A25.2Very low25.9Very low103 Ų103133 Ų13385%0.85177%0.773SS**  trans-106.3170.3177.500000112.6
213A23Very low25.7Very low90 Ų90132.2 Ų132.274%0.74477%0.77SS**  trans-155.8112.9169.400000115.1
214T23.4Very low25.6Very low139 Ų139135.9 Ų135.985%0.85378%0.776SS**  trans76.2151.5132.1-31.80000122.2
215I28.6Very low25.4Very low152 Ų152135.3 Ų135.378%0.77977%0.773SS**  trans-138.3154.4-167.9-17.8168.7000106.5
216P34.3Very low25.3Very low109 Ų109137.9 Ų137.971%0.70878%0.782SS**  -161.2177.670.143.2-20.5000119.5
217N25.3Very low25.2Very low131 Ų131135.4 Ų135.470%0.70178%0.777SS**  trans84.9133.2134.4-88.735.3000127.9
218D24.9Very low25.2Very low118 Ų118133.3 Ų133.363%0.63177%0.77SS**  trans74.4107.9138.1-56.7-24.3000124
219N25.3Very low25.4Very low132 Ų132137.3 Ų137.371%0.70678%0.778SS**  177.7136.585.3-98.6-68.4000116.3
220K25Very low25.6Very low176 Ų176139.2 Ų139.277%0.76577%0.774SS**  trans58.8109.6140.7-68.1179.6179.8-175.50124.1
221E24.5Very low25.6Very low179 Ų179140 Ų14084%0.83678%0.78SS**  14.1131.2121.4-58.9174.415700120.6
222Q23.7Very low25.8Very low188 Ų188140.3 Ų140.388%0.87978%0.782SS**  -164.5128.5110.2-109.4178-1.800112.6
223E23.3Very low26Very low180 Ų180144 Ų14484%0.84178%0.782SS**  trans-86.6139.3166-63.7-179.9127.400110.6
224I23.8Very low26.3Very low157 Ų157149.3 Ų149.381%0.80579%0.788SS**  trans-140.6116.2151.3-61.8-175.1000108.6
225N23.3Very low26.5Very low144 Ų144150.9 Ų150.977%0.7779%0.79SS**  trans-73144.3161.8-83.1-67.5000109.8
226L24.6Very low26.4Very low166 Ų166152.3 Ų152.387%0.86980%0.798SS**  trans-164.5135.7138.1-108.1158.4000112.8
227S23.8Very low26Very low90 Ų90152.1 Ų152.163%0.62981%0.806SS**  trans-60.4159.9163.61780000111.5
228V25.2Very low25.9Very low117 Ų117150.7 Ų150.771%0.70981%0.806SS**  -175.4123.7117.9149.50000110.3D230V228-D230 HydrophobicContact CG1-CB 3.63Å; V228-D230 PolarHBondContact O-N 3.23Å
229E30.4Very low25.9Very low190 Ų190154.9 Ų154.989%0.88882%0.819SS**  trans-75.897.9160.1-63.8167.9120.800108.5
230D27.7Very low25.8Very low141 Ų141157.5 Ų157.575%0.75483%0.827SS**  trans-161.881167.2-131.8-12.2000113V228V228-D230 HydrophobicContact CG1-CB 3.63Å; V228-D230 PolarHBondContact O-N 3.23Å
231A26.5Very low25.8Very low95 Ų95157.8 Ų157.879%0.78584%0.836SS**  trans-153.316179.100000115.9
232T29.3Very low25.7Very low149 Ų149152.7 Ų152.791%0.91483%0.832SS**SBendtrans-123.332.5-176.644.10000114.7
233E31Very low25.8Very low181 Ų181149.3 Ų149.385%0.84683%0.829SS**SBendtrans-128.227.3178.5-144.7-178.6-142.200114.7
234K28.4Very low25.8Very low201 Ų201146.1 Ų146.187%0.87482%0.822SS**SBendtrans-134.323.1-176.1-86.5-171.1178.1171.60118
235L27.6Very low25.8Very low173 Ų173145.3 Ų145.391%0.90682%0.82SS**SBendtrans-134.726.8178.5-81.2176.4000116.5
236L27.3Very low25.9Very low181 Ų181143.4 Ų143.495%0.94882%0.817SS**SBendtrans-142.663.6168.4-76.7179.3000112.7
237A24.5Very low25.9Very low105 Ų105140.2 Ų140.287%0.86882%0.815SS**  trans-159.371.4167.700000112.6
238S24.7Very low25.9Very low102 Ų102140.6 Ų140.671%0.71382%0.823SS**  trans-150.4148.8158.953.30000109.8
239F24.7Very low25.9Very low206 Ų206142.1 Ų142.190%0.90483%0.833SS**  trans78.869.4-171.4-54.1-74.9000117.1
240E23.1Very low25.5Very low187 Ų187140.2 Ų140.287%0.87483%0.829SS**  trans-100.7140.2135.8-72-167.8145.600109.2
241L24.3Very low25.4Very low181 Ų181141.4 Ų141.495%0.94883%0.83SS**  trans-173.5124.8147.5-113.5159.3000112.9
242G23.6Very low25.3Very low73 Ų73142.3 Ų142.375%0.75383%0.83SS**  trans86.8135.6161.200000116.4
243S24Very low25Very low116 Ų116140.6 Ų140.681%0.81182%0.824SS**  cis-159.5161.7-7.756.20000111
244T23.2Very low25.4Very low114 Ų114137.6 Ų137.670%0.69982%0.82SS**  trans-42.3154.616659.80000113.2
245D24.4Very low25.1Very low140 Ų140133 Ų13375%0.74982%0.82SS**  -177.5169.357.9-116-47.3000115
246S25.5Very low24.9Very low104 Ų104129.6 Ų129.673%0.72782%0.817SS**  trans79.9114.3149.171.60000123.3
247A24.3Very low24.8Very low99 Ų99125.9 Ų125.982%0.81881%0.812SS**  72.3123.8122.800000122.1
248A23.2Very low24.7Very low97 Ų97129.5 Ų129.580%0.80281%0.809SS**  trans-82.8151.1161.500000111.7
249V25.4Very low24.7Very low150 Ų150134.8 Ų134.891%0.90982%0.819SS**  trans-137.8140.2150.7-176.30000107.6
250D23.4Very low24.6Very low150 Ų150131.9 Ų131.980%0.80281%0.813SS**  trans-96.3-167.2-174.8-155-19000111
251E24.9Very low24.6Very low166 Ų166127 Ų12778%0.77681%0.805SS**  trans90.8104.2162.1-56.4-160.7147.300120
252S24.7Very low24.6Very low114 Ų114124.4 Ų124.480%0.79780%0.799SS**  98.5122.6119.576.30000121
253S23.2Very low24.5Very low113 Ų113126.8 Ų126.879%0.7980%0.798SS**  trans-85.1-171.2155-137.10000109.1
254P38.3Very low24.5Very low117 Ų117132.4 Ų132.476%0.7680%0.803SS**  cis-135.3177.1-10.840.2-23.9000114.1
255A23.6Very low24.5Very low104 Ų104131.6 Ų131.686%0.8680%0.802SS**  trans-162.9145142.800000111.6
256A23.2Very low24.9Very low102 Ų102130 Ų13084%0.84380%0.8SS**  trans-108.4151.7-17600000112.9
257A24.5Very low24.8Very low104 Ų104135.3 Ų135.386%0.8681%0.81SS**  trans-143.5104.5157.800000109.9
258K22.5Very low24.8Very low181 Ų181136.8 Ų136.879%0.78781%0.809SS**  trans-81.5142.5165.1-65.7175.7177.7177.80108.5
259F23.9Very low25Very low213 Ų213137.9 Ų137.993%0.93481%0.806SS**  trans-141.6145.2147.1-107.9-79.2000110.9
260N23.9Very low24.9Very low144 Ų144140 Ų14077%0.7781%0.806SS**PPolyproline II helixtrans-89.1154.8-160.5-65.3-37.8000113.8
261A22.4Very low25.2Very low86 Ų86139.6 Ų139.671%0.71180%0.804SS**PPolyproline II helixtrans-73.2156.2158.800000111.6
262P24.2Very low25.3Very low126 Ų126137 Ų13782%0.81880%0.801SS**PPolyproline II helixtrans-93.5132.3157.933-26.2000111
263V22.6Very low25.8Very low122 Ų122136.5 Ų136.574%0.73979%0.793SS**PPolyproline II helixtrans-102.1133.5167171.50000108
264Y23.5Very low26.3Very low234 Ų234140.3 Ų140.392%0.91880%0.796SS**  trans-144.9147.3151.2-103.1-78.3000110.3
265S23.5Very low26Very low97 Ų97138.6 Ų138.668%0.67879%0.787SS**  trans-118.4-157.1-163.452.80000111.6
266P33Very low26.5Very low108 Ų108139.6 Ų139.670%0.70178%0.777SS**  -108.9163.4-104.737.6-23.7000113.6
267F23Very low27Very low214 Ų214140 Ų14094%0.93977%0.765SS**  trans-137.2158.9161.9-98.8-80000113.1
268V24.3Very low27.4Very low130 Ų130138.2 Ų138.279%0.78875%0.75SS**  trans-93.5156.1-153.6171.20000113
269T26.1Very low28Very low121 Ų121135.5 Ų135.574%0.74274%0.74SS**  trans-54.9142.8175.848.90000116
270E24Very low28.8Very low194 Ų194130.4 Ų130.491%0.90772%0.718SS**  trans-141.1138.7143.3-98-176.6-174.800110.6
271N29.4Very low29.4Very low142 Ų142129.5 Ų129.576%0.75971%0.709SS**  trans-97.9145.3-178.6-82.9-35.4000111.7
272P26.6Very low29.9Very low112 Ų112132.3 Ų132.373%0.72771%0.708SS**  trans-131.863.7152.437.5-24.1000113.7K274P272-K274 VanDerWaalsContact C-N 3.31Å; P272-K274 PolarHBondContact O-N 3.18Å; P272-K274 VanDerWaalsContact O-N 3.13Å
273T36.3Very low30.5Very low103 Ų103130.9 Ų130.963%0.63269%0.693SS**THydrogen-bonded Turntrans-85.249.117838.30000114.2
274K32.6Very low31.1Very low192 Ų192128.3 Ų128.384%0.83568%0.677SS**THydrogen-bonded Turntrans-138.3-3.8175.1-73.8-166.7175.8-179.80117.2P272P272-K274 VanDerWaalsContact C-N 3.31Å; P272-K274 PolarHBondContact O-N 3.18Å; P272-K274 VanDerWaalsContact O-N 3.13Å
275S34Very low31.4Very low82 Ų82123.9 Ų123.957%0.57366%0.662SS**SBendtrans-94.7-38174.6-159.20000112.8A278 E279S275-A278 PolarHBondContact O-N 2.75Å; S275-E279 PolarHBondContact O-N 2.76Å
276L33.3Very low31.7Very low125 Ų125122.5 Ų122.565%0.65465%0.653SS**Hα-helixtrans-69.2-35-173.1-81.2152000113.9A278 E279 F280L276-A278 VanDerWaalsContact C-N 3.26Å; L276-A278 PolarHBondContact O-N 2.85Å; L276-E279 PolarHBondContact O-N 2.92Å; L276-F280 WeakPolarHBondContact O-CB 3.47Å; L276-F280 PolarHBondContact O-N 3.34Å
277D34.3Very low31.7Very low109 Ų109125.6 Ų125.658%0.58366%0.655SS**Hα-helixtrans-66.8-27.5178.6-74.4-22.8000112.8Q281D277-Q281 WeakPolarHBondContact O-CB 3.5Å; D277-Q281 WeakPolarHBondContact O-CG 3.3Å; D277-Q281 PolarHBondContact O-N 2.8Å
278A31.8Very low32.1Very low67 Ų67124 Ų12455%0.55465%0.648SS**Hα-helixtrans-74.6-49.9177.400000111.2S275 L276 F280 Q281 E282S275-A278 PolarHBondContact O-N 2.75Å; L276-A278 VanDerWaalsContact C-N 3.26Å; L276-A278 PolarHBondContact O-N 2.85Å; A278-F280 VanDerWaalsContact C-N 3.31Å; A278-F280 PolarHBondContact O-N 2.88Å; A278-Q281 PolarHBondContact O-N 2.83Å; A278-E282 PolarHBondContact O-N 2.78Å; A278-E282 VanDerWaalsContact O-N 3.1Å
279E36.2Very low32.4Very low125 Ų125123.1 Ų123.158%0.58464%0.643SS**Hα-helixtrans-61.8-38.9174.6-71-178.312900111.6S275 L276 E282 L283S275-E279 PolarHBondContact O-N 2.76Å; L276-E279 PolarHBondContact O-N 2.92Å; E279-E282 PolarHBondContact O-N 3.23Å; E279-L283 PolarHBondContact O-N 3.03Å
280F39.8Very low32.4Very low105 Ų105125.1 Ų125.146%0.46164%0.643SS.*Hα-helixtrans-69.1-39.1178.6-170.7-107.1000112.8L276 A278 E282 L283 V284 M1038L276-F280 WeakPolarHBondContact O-CB 3.47Å; L276-F280 PolarHBondContact O-N 3.34Å; A278-F280 VanDerWaalsContact C-N 3.31Å; A278-F280 PolarHBondContact O-N 2.88Å; F280-E282 VanDerWaalsContact C-N 3.3Å; F280-E282 PolarHBondContact O-N 2.78Å; F280-L283 WeakPolarHBondContact O-CB 3.39Å; F280-L283 PolarHBondContact O-N 2.77Å; F280-V284 HydrophobicContact CD1-CG2 4.27Å; F280-V284 HydrophobicContact CE1-CG2 3.99Å; F280-V284 HydrophobicContact CZ-CG2 4.21Å; F280-V284 WeakPolarHBondContact O-CG2 3.36Å; F280-V284 PolarHBondContact O-N 2.96Å; F280-M1038 HydrophobicContact CZ-SD 4.16Å
281Q36.9Very low32.8Very low125 Ų125123 Ų12358%0.58464%0.639SS**Hα-helixtrans-69.6-26173.5-77-163.218.900113.4D277 A278 K285D277-Q281 WeakPolarHBondContact O-CB 3.5Å; D277-Q281 WeakPolarHBondContact O-CG 3.3Å; D277-Q281 PolarHBondContact O-N 2.8Å; A278-Q281 PolarHBondContact O-N 2.83Å; Q281-K285 WeakPolarHBondContact O-CG 3.22Å; Q281-K285 PolarHBondContact O-N 2.73Å
282E33.5Very low32.6Very low146 Ų146120.7 Ų120.768%0.68263%0.629SS**Hα-helixtrans-72.3-40.6171-158.5163.7-143.400111.1A278 E279 F280 V284 K285 S286A278-E282 PolarHBondContact O-N 2.78Å; A278-E282 VanDerWaalsContact O-N 3.1Å; E279-E282 PolarHBondContact O-N 3.23Å; F280-E282 VanDerWaalsContact C-N 3.3Å; F280-E282 PolarHBondContact O-N 2.78Å; E282-V284 PolarHBondContact O-N 3.03Å; E282-K285 WeakPolarHBondContact O-CB 3.36Å; E282-K285 PolarHBondContact O-N 2.69Å; E282-K285 VanDerWaalsContact O-N 3.15Å; E282-S286 PolarHBondContact O-N 3.16Å
283L34.9Very low32.6Very low96 Ų96126 Ų12650%0.50364%0.641SS.*Hα-helixtrans-60.1-43.4171.9-147.592.6000112.5E279 F280 K285 S286 F287E279-L283 PolarHBondContact O-N 3.03Å; F280-L283 WeakPolarHBondContact O-CB 3.39Å; F280-L283 PolarHBondContact O-N 2.77Å; L283-K285 VanDerWaalsContact C-N 3.26Å; L283-K285 PolarHBondContact O-N 3.02Å; L283-S286 PolarHBondContact O-N 2.96Å; L283-S286 PolarHBondContact O-OG 3.3Å; L283-F287 HydrophobicContact CD2-CE2 4.49Å; L283-F287 WeakPolarHBondContact O-CD2 3.34Å; L283-F287 PolarHBondContact O-N 3.29Å; L283-F287 VanDerWaalsContact O-N 3.16Å
284V35.5Very low32.2Very low67 Ų67129.4 Ų129.441%0.40665%0.647SS.*Hα-helixtrans-67.2-27.4177.3170.70000111.9F280 E282F280-V284 HydrophobicContact CD1-CG2 4.27Å; F280-V284 HydrophobicContact CE1-CG2 3.99Å; F280-V284 HydrophobicContact CZ-CG2 4.21Å; F280-V284 WeakPolarHBondContact O-CG2 3.36Å; F280-V284 PolarHBondContact O-N 2.96Å; E282-V284 PolarHBondContact O-N 3.03Å
285K31.5Very low31.8Very low141 Ų141127.2 Ų127.261%0.61365%0.645SS**Hα-helixtrans-75.1-38.4171.3-74.7169.4-175.5168.90112Q281 E282 L283 F287 K288 V289Q281-K285 WeakPolarHBondContact O-CG 3.22Å; Q281-K285 PolarHBondContact O-N 2.73Å; E282-K285 WeakPolarHBondContact O-CB 3.36Å; E282-K285 PolarHBondContact O-N 2.69Å; E282-K285 VanDerWaalsContact O-N 3.15Å; L283-K285 VanDerWaalsContact C-N 3.26Å; L283-K285 PolarHBondContact O-N 3.02Å; K285-F287 VanDerWaalsContact C-N 3.27Å; K285-F287 PolarHBondContact O-N 3.08Å; K285-K288 PolarHBondContact O-N 3.01Å; K285-V289 PolarHBondContact O-N 3.31Å
286S29.5Very low31.3Very low68 Ų68132.2 Ų132.248%0.47666%0.661SS.*Hα-helixtrans-63-33176.167.70000112.6E282 L283 K288 V289E282-S286 PolarHBondContact O-N 3.16Å; L283-S286 PolarHBondContact O-N 2.96Å; L283-S286 PolarHBondContact O-OG 3.3Å; S286-K288 VanDerWaalsContact C-N 3.29Å; S286-K288 PolarHBondContact O-N 3.07Å; S286-V289 CarbonylContact O-C 3.53Å; S286-V289 PolarHBondContact O-N 2.95Å
287F32.6Very low30.9Very low173 Ų173133.9 Ų133.976%0.75967%0.671SS**THydrogen-bonded Turntrans-69.7-19173.4-89.8-77.9000114.9L283 K285L283-F287 HydrophobicContact CD2-CE2 4.49Å; L283-F287 WeakPolarHBondContact O-CD2 3.34Å; L283-F287 PolarHBondContact O-N 3.29Å; L283-F287 VanDerWaalsContact O-N 3.16Å; K285-F287 VanDerWaalsContact C-N 3.27Å; K285-F287 PolarHBondContact O-N 3.08Å
288K30.7Very low30.6Very low181 Ų181136.2 Ų136.279%0.78768%0.683SS**THydrogen-bonded Turntrans-94.9-13.1176.7-74-172.9175-177.30113.8K285 S286K285-K288 PolarHBondContact O-N 3.01Å; S286-K288 VanDerWaalsContact C-N 3.29Å; S286-K288 PolarHBondContact O-N 3.07Å
289V30.4Very low30.4Very low111 Ų111138.2 Ų138.267%0.67369%0.69SS**SBendtrans-144.179.4179.3-171.10000110.8K285 S286K285-V289 PolarHBondContact O-N 3.31Å; S286-V289 CarbonylContact O-C 3.53Å; S286-V289 PolarHBondContact O-N 2.95Å
290Q26.4Very low30Very low163 Ų163137.8 Ų137.876%0.76270%0.698SS**  176.9135.4129.9-101.417114.900115.5V292Q290-V292 HydrophobicContact CB-CG2 4.23Å; Q290-V292 PolarHBondContact O-N 2.85Å
291N33.3Very low29.4Very low151 Ų151138.2 Ų138.281%0.80771%0.712SS**  trans-69.9106150.4-82.1-33.7000109.8
292V24.6Very low28.9Very low93 Ų93138 Ų13856%0.56472%0.721SS**  trans-139.598.3159.8-175.90000111.5Q290Q290-V292 HydrophobicContact CB-CG2 4.23Å; Q290-V292 PolarHBondContact O-N 2.85Å
293F27.7Very low28.4Very low222 Ų222136.7 Ų136.797%0.97473%0.728SS**  trans-121.974.1143.5-96.8-74.5000108.4
294K26.4Very low27.9Very low175 Ų175138 Ų13876%0.76174%0.739SS**  trans-138.7138.4163.4-95.8-177.2174.91740109.5
295N25Very low27.4Very low146 Ų146139.9 Ų139.978%0.78176%0.756SS**  trans68.379.2171.6-56.3-9.4000117.2
296M23.7Very low27.1Very low187 Ų187140.7 Ų140.792%0.92177%0.765SS**  trans-105.9117.4132-81.8-164.8171.100108.8L298M296-L298 PolarHBondContact O-N 3.24Å
297N25Very low26.9Very low160 Ų160146 Ų14686%0.85678%0.782SS**  trans-74.9101.7168.3-79.7-29.8000108.5
298L27.4Very low26.6Very low158 Ų158146.4 Ų146.483%0.82779%0.787SS**PPolyproline II helixtrans-77.7137.3163.2-78.4162.4000109.2M296M296-L298 PolarHBondContact O-N 3.24Å
299P26.9Very low26.4Very low109 Ų109143.9 Ų143.971%0.70879%0.789SS**PPolyproline II helixtrans-64.9152.3173.828.6-34.1000110.6
300P28.5Very low26.2Very low116 Ų116144.9 Ų144.975%0.75380%0.795SS**PPolyproline II helixtrans-63.7144.1-179.627-34.5000111.2
301P27.2Very low26.2Very low115 Ų115142.5 Ų142.575%0.74780%0.796SS**PPolyproline II helixtrans-64.6148.4175.928.2-34.6000110.9S303P301-S303 PolarHBondContact O-N 2.83Å
302P25.9Very low25.8Very low120 Ų120141.1 Ų141.178%0.77980%0.798SS**PPolyproline II helixtrans-63.6132.9-178.425.9-34000111.4V304P302-V304 PolarHBondContact O-N 3.47Å
303S24.1Very low25.8Very low118 Ų118141.3 Ų141.383%0.82581%0.81SS**  trans-68.4110.8175.5520000110.8P301P301-S303 PolarHBondContact O-N 2.83Å
304V24.3Very low25.7Very low123 Ų123136.8 Ų136.875%0.74581%0.806SS**  trans-87.1113.1166178.80000108.4P302 I306P302-V304 PolarHBondContact O-N 3.47Å; V304-I306 PolarHBondContact O-N 3Å
305S23.3Very low25.7Very low108 Ų108133.1 Ų133.176%0.75581%0.808SS**  trans-62.2122169.7-38.90000109.3
306I26.6Very low25.7Very low157 Ų157131.4 Ų131.481%0.80581%0.807SS**  trans-104107.3166.4-61177.9000106.7V304V304-I306 PolarHBondContact O-N 3Å
307E24.5Very low25.7Very low179 Ų179129.5 Ų129.584%0.83680%0.801SS**PPolyproline II helixtrans-71.2136.9167.8-66.2-178146.100109.5P309E307-P309 WeakPolarHBondContact O-CD 3.32Å
308E26.8Very low25.7Very low183 Ų183132.9 Ų132.986%0.85580%0.803SS**PPolyproline II helixtrans-74.4129.2173.4-65.2-175.8138.300110.8
309P26.9Very low25.5Very low128 Ų128135.4 Ų135.483%0.83180%0.802SS**PPolyproline II helixtrans-85.1122.7162.1-4.323.2000110.1E307E307-P309 WeakPolarHBondContact O-CD 3.32Å
310V24.7Very low25.5Very low132 Ų132138 Ų13880%0.880%0.804SS**PPolyproline II helixtrans-62.6150.6176.9177.60000111.7
311S26.8Very low25.3Very low113 Ų113141.4 Ų141.479%0.7981%0.81SS**PPolyproline II helixtrans-64.3142.4175.652.60000113.6
312S25.7Very low25.2Very low122 Ų122142.3 Ų142.385%0.85381%0.807SS**  trans-156.9149.2147.253.20000110.5
313A24.9Very low25.1Very low97 Ų97143.3 Ų143.380%0.80281%0.806SS**  trans-102.6152.9-178.300000111.1
314S25.6Very low25.1Very low127 Ų127142.6 Ų142.689%0.88880%0.797SS**  trans-171.2156.514138.40000110.9
315A24.8Very low25.1Very low97 Ų97143.6 Ų143.680%0.80280%0.803SS**  trans-120.4145.9179.700000110.7
316S25.2Very low25.2Very low110 Ų110144.1 Ų144.177%0.76981%0.807SS**  trans-177122.8154.110.60000106.5
317D25.2Very low25.1Very low148 Ų148144 Ų14479%0.79181%0.807SS**  55.3113.985.1-83.4-30.4000114.4
318Y25.1Very low25.1Very low231 Ų231142.6 Ų142.691%0.90681%0.805SS**  -170.2165.6113.7-105-73.6000112
319R23.1Very low25Very low210 Ų210138.8 Ų138.879%0.79280%0.799SS**  trans-113.1160.3-165-58.9172170.9167.9-5.4113.9
320H26.4Very low24.9Very low165 Ų165141.3 Ų141.376%0.76480%0.804SS**  trans64.1159.1157.5-66.5-59000115.9
321Q24.1Very low24.9Very low187 Ų187145.3 Ų145.387%0.87480%0.804SS**  cis-148.4-179.121.8-151.8160.61.500112.6
322I25.5Very low24.8Very low134 Ų134146.6 Ų146.669%0.68781%0.808SS**  trans-102141.7-172.5-64157000110.4
323D23.6Very low24.6Very low140 Ų140147.4 Ų147.475%0.74981%0.807SS**  trans177.6113.6134-98.2-36.6000110.2
324T24.7Very low24.6Very low104 Ų104151.5 Ų151.564%0.63881%0.807SS**  87139.17859.40000116.2
325T24.1Very low24.5Very low144 Ų144153.8 Ų153.888%0.88381%0.809SS**  trans93.1146.2165.774.90000121.3
326S24.8Very low24.4Very low119 Ų119153.6 Ų153.683%0.83280%0.802SS**  trans89119.6172.7-151.20000119.5
327L24.9Very low24.4Very low155 Ų155154.6 Ų154.681%0.81281%0.806SS**  trans-78.9179.4170.2-78.299000112.2
328D23.7Very low24.2Very low148 Ų148151.2 Ų151.279%0.79180%0.798SS**  trans75.883162.2-59.2-22.6000118.3
329S25.5Very low24.3Very low104 Ų104146 Ų14673%0.72780%0.796SS**  -173.6100.8126.834.10000112.6R331S329-R331 VanDerWaalsContact C-N 3.33Å; S329-R331 PolarHBondContact O-N 3.49Å
330I24.1Very low24.4Very low181 Ų181143.3 Ų143.393%0.92880%0.797SS**  trans-73.890.2166.3-59.3177.1000108.1
331R24.2Very low24.3Very low215 Ų215139.9 Ų139.981%0.81180%0.797SS**  trans-84.3132.5165.4-80.5-174.7172.2-179.7-0.9109.9S329 V333S329-R331 VanDerWaalsContact C-N 3.33Å; S329-R331 PolarHBondContact O-N 3.49Å; R331-V333 PolarHBondContact O-N 3.49Å; R331-V333 VanDerWaalsContact O-N 3.17Å
332T24.8Very low24.6Very low141 Ų141135.4 Ų135.487%0.86578%0.782SS**  trans-57.9110.9172.334.80000110.9
333V23.1Very low24.7Very low139 Ų139134.7 Ų134.784%0.84278%0.783SS**  trans-76.3128.5170.11780000108.4R331R331-V333 PolarHBondContact O-N 3.49Å; R331-V333 VanDerWaalsContact O-N 3.17Å
334K24.2Very low25.3Very low183 Ų183131 Ų13180%0.79677%0.768SS**  trans-71.2130.9176.8-70172.4172.5178.10110.3S336K334-S336 PolarHBondContact O-N 3.22Å
335D23.3Very low26.3Very low174 Ų174129.1 Ų129.193%0.9375%0.75SS**  trans-68.485.5156.4-70.5-46.6000109.1
336S22.4Very low27Very low93 Ų93126.5 Ų126.565%0.6574%0.738SS**  trans-85.2137.3158.7-93.50000108.6K334 A338K334-S336 PolarHBondContact O-N 3.22Å; S336-A338 PolarHBondContact O-N 2.86Å
337P24.7Very low27.8Very low131 Ų131125.3 Ų125.385%0.85174%0.735SS**  trans-74.176.3176.231.8-34.9000109.8S339P337-S339 PolarHBondContact O-N 2.98Å
338A22.5Very low29.4Very low77 Ų77121.1 Ų121.164%0.63673%0.73SS**  trans-63.1119.6167.900000108.1S336 L340S336-A338 PolarHBondContact O-N 2.86Å; A338-L340 PolarHBondContact O-N 3.35Å
339S27Very low31.7Very low123 Ų123115.6 Ų115.686%0.8671%0.707SS**  trans-68.175.1172.845.60000110.3P337 A341P337-S339 PolarHBondContact O-N 2.98Å; S339-A341 PolarHBondContact O-N 3.28Å
340L24.5Very low34.5Very low153 Ų153113.9 Ų113.980%0.80169%0.69SS**  trans-61.6103.8165.7-79.7168.2000107.6A338 V342A338-L340 PolarHBondContact O-N 3.35Å; L340-V342 VanDerWaalsContact C-N 3.33Å; L340-V342 PolarHBondContact O-N 3.26Å
341A24.2Very low37.5Very low93 Ų93106.9 Ų106.977%0.76966%0.655SS**  trans-59.399.1170.200000108S339 V343S339-A341 PolarHBondContact O-N 3.28Å; A341-V343 PolarHBondContact O-N 3.43Å
342V30.7Very low40.6Very low93 Ų9398 Ų9856%0.56462%0.622SS**  trans-59.1110.6175.2176.80000107L340 P344L340-V342 VanDerWaalsContact C-N 3.33Å; L340-V342 PolarHBondContact O-N 3.26Å; V342-P344 VanDerWaalsContact O-CD 3.24Å; V342-P344 WeakPolarHBondContact O-CD 3.39Å
343V28Very low43.6Very low118 Ų11895 Ų9572%0.71560%0.601SS**  trans-57.9112.8168179.20000105.9A341A341-V343 PolarHBondContact O-N 3.43Å
344P35.9Very low46.6Very low64 Ų6492.1 Ų92.142%0.41658%0.58SS.*  trans-62.5146.8-17827-34.1000108.7V342 S346V342-P344 VanDerWaalsContact O-CD 3.24Å; V342-P344 WeakPolarHBondContact O-CD 3.39Å; P344-S346 WeakPolarHBondContact O-CA 3.26Å; P344-S346 WeakPolarHBondContact O-CB 3.45Å; P344-S346 PolarHBondContact O-N 2.94Å
345F46Very low49.6Very low63 Ų6389 Ų8928%0.27656%0.564SS.*  trans-48.494.8179.7-75.3-99.5000111.1A347 W360 L587 P733F345-A347 PolarHBondContact O-N 3.32Å; F345-W360 HydrophobicContact CD1-CH2 4.43Å; F345-L587 HydrophobicContact CE2-CD1 4.11Å; F345-L587 HydrophobicContact CZ-CB 3.98Å; F345-L587 HydrophobicContact CZ-CD1 3.73Å; F345-L587 HydrophobicContact CZ-CG 4.49Å; F345-P733 HydrophobicContact CB-CG 4.04Å; F345-P733 HydrophobicContact CD2-CG 4Å; F345-P733 HydrophobicContact CG-CG 4.32Å
346S38.2Very low52.6Low90 Ų9082.4 Ų82.463%0.62954%0.538SS*.  trans-89113.2-161.858.20000111.3P344P344-S346 WeakPolarHBondContact O-CA 3.26Å; P344-S346 WeakPolarHBondContact O-CB 3.45Å; P344-S346 PolarHBondContact O-N 2.94Å
347A42.2Very low55.9Low93 Ų9378 Ų7877%0.76951%0.507SS*.SBendtrans65.1133.3169.100000117.9F345F345-A347 PolarHBondContact O-N 3.32Å
348G57.7Low59.1Low68 Ų6871.8 Ų71.870%0.70147%0.467SS*.  trans109.85.4158.200000118.8
349G72.1Confident62.5Low31 Ų3168.1 Ų68.132%0.3244%0.436SS..PPolyproline II helixtrans-81.7147.8177.900000114.6
350I85.4Confident65.6Low69 Ų6963.1 Ų63.135%0.35440%0.399SS..EExtended strand (participates in β ladder)trans-103.1126.5171.8-53.5172000109.1Y352 W360 S361 A364I350-Y352 HydrophobicContact CB-CE2 4.24Å; I350-Y352 HydrophobicContact CG2-CE1 3.94Å; I350-Y352 HydrophobicContact CG2-CE2 4Å; I350-Y352 WeakPolarHBondContact CG2-OH 3.42Å; I350-W360 WeakPolarHBondContact O-CA 3.41Å; I350-S361 PolarHBondContact N-O 3.47Å; I350-S361 PolarHBondContact O-N 2.83Å; I350-S361 VanDerWaalsContact O-N 3.07Å; I350-A364 HydrophobicContact CD1-CB 4.11Å
351T87.4Confident68.8Low34 Ų3455.9 Ų55.921%0.20936%0.361CS..EExtended strand (participates in β ladder)trans-99.2134.7173.5-61.70000111.2L358 G359 L730 K731T351-L358 HydrophobicContact CG2-CD1 3.59Å; T351-G359 CarbonylContact C-O 3.02Å; T351-G359 VanDerWaalsContact CA-O 3.3Å; T351-G359 WeakPolarHBondContact CA-O 3.49Å; T351-L730 PolarHBondContact OG1-O 2.94Å; T351-K731 WeakPolarHBondContact OG1-CA 3.3Å
352Y88.9Confident71.6Confident27 Ų2756.9 Ų56.911%0.10635%0.345CS..EExtended strand (participates in β ladder)trans-110.7141.9173.9-54.8-80.8000109.5I350 L358 G359 A364 V365 F401I350-Y352 HydrophobicContact CB-CE2 4.24Å; I350-Y352 HydrophobicContact CG2-CE1 3.94Å; I350-Y352 HydrophobicContact CG2-CE2 4Å; I350-Y352 WeakPolarHBondContact CG2-OH 3.42Å; Y352-L358 CarbonylContact O-C 3.25Å; Y352-L358 WeakPolarHBondContact O-CA 3.5Å; Y352-G359 PolarHBondContact N-O 2.82Å; Y352-G359 PolarHBondContact O-N 3.3Å; Y352-A364 WeakPolarHBondContact OH-CA 3.28Å; Y352-V365 WeakPolarHBondContact CE1-O 3.27Å; Y352-V365 HydrophobicContact CE2-CB 4.24Å; Y352-V365 HydrophobicContact CE2-CG2 4.49Å; Y352-V365 PolarHBondContact OH-N 3.12Å; Y352-F401 HydrophobicContact CD1-CE1 4.16Å; Y352-F401 HydrophobicContact CG-CD1 4.39Å; Y352-F401 AromaticContact CG-CE1 4Å; Y352-F401 HydrophobicContact CG-CE1 4Å
353N86.4Confident74.2Confident80 Ų8055 Ų5543%0.42833%0.33SS..  trans-139.325.1177.661.2-4.7000112.5V357 Y727N353-V357 CarbonylContact C-O 3.55Å; N353-V357 WeakPolarHBondContact CA-O 3.27Å; N353-Y727 HydrophobicContact CB-CD2 3.96Å; N353-Y727 HydrophobicContact CB-CG 4.33Å
354N85.9Confident77.1Confident77 Ų7753.3 Ų53.341%0.41233%0.328SS..G310 helixtrans-88.4154.4-178.6-64.8-42.9000111.6G356 V357 F401N354-G356 PolarHBondContact O-N 3.17Å; N354-V357 PolarHBondContact O-N 3.4Å; N354-F401 HydrophobicContact CB-CZ 4.18Å
355Y87.3Confident79.7Confident117 Ų11750.8 Ų50.846%0.45931%0.311SS..G310 helixtrans59.921.4176.9-43.6-65.1000115.6V357 P367 A397 F401Y355-V357 VanDerWaalsContact C-N 3.33Å; Y355-P367 HydrophobicContact CE2-CB 4.04Å; Y355-P367 HydrophobicContact CE2-CG 3.99Å; Y355-A397 WeakPolarHBondContact O-CB 3.5Å; Y355-F401 HydrophobicContact CD2-CE2 4.03Å; Y355-F401 HydrophobicContact CD2-CZ 4.02Å; Y355-F401 HydrophobicContact CE2-CZ 4.47Å
356G86.6Confident81.8Confident36 Ų3653.4 Ų53.437%0.37133%0.332SS..G310 helixtrans86.4-3.7179.700000115N354 Y727N354-G356 PolarHBondContact O-N 3.17Å; G356-Y727 WeakPolarHBondContact O-CE2 3.43Å; G356-Y727 PolarHBondContact O-OH 3.36Å
357V91.6Very high84.4Confident0 Ų050.8 Ų50.80%031%0.313CS..  trans-101.9133.7-179165.50000110.5N353 N354 Y355 A397 V398 F401 L596 F597 D598N353-V357 CarbonylContact C-O 3.55Å; N353-V357 WeakPolarHBondContact CA-O 3.27Å; N354-V357 PolarHBondContact O-N 3.4Å; Y355-V357 VanDerWaalsContact C-N 3.33Å; V357-A397 HydrophobicContact CG2-CB 3.48Å; V357-A397 VanDerWaalsContact CG2-CB 3.48Å; V357-V398 HydrophobicContact CG1-CG1 4.26Å; V357-V398 HydrophobicContact CG2-CG1 3.69Å; V357-F401 HydrophobicContact CB-CE2 4.25Å; V357-F401 HydrophobicContact CG1-CD2 4.26Å; V357-F401 HydrophobicContact CG1-CE2 4.26Å; V357-L596 HydrophobicContact CG1-CB 4.36Å; V357-L596 HydrophobicContact CG1-CD2 4.02Å; V357-F597 VanDerWaalsContact CA-O 3.31Å; V357-F597 WeakPolarHBondContact CA-O 3.43Å; V357-D598 HydrophobicContact CG2-CB 4.49Å
358L93.5Very high86.8Confident1 Ų146.5 Ų46.51%0.00528%0.278CS..EExtended strand (participates in β ladder)trans-83.9123.2161.4-175.379.7000108.5T351 Y352 L596 F597 A603 Y606 Y727 L730T351-L358 HydrophobicContact CG2-CD1 3.59Å; Y352-L358 CarbonylContact O-C 3.25Å; Y352-L358 WeakPolarHBondContact O-CA 3.5Å; L358-L596 CarbonylContact O-C 3.52Å; L358-L596 WeakPolarHBondContact O-CA 3.41Å; L358-F597 HydrophobicContact CB-CB 4.29Å; L358-F597 HydrophobicContact CB-CD2 4.48Å; L358-F597 HydrophobicContact CD2-CD2 4.04Å; L358-F597 PolarHBondContact N-O 2.74Å; L358-F597 PolarHBondContact O-N 2.96Å; L358-A603 HydrophobicContact CB-CB 4.39Å; L358-A603 HydrophobicContact CD2-CB 3.95Å; L358-Y606 HydrophobicContact CD2-CD1 4.28Å; L358-Y606 HydrophobicContact CD2-CE1 4.4Å; L358-Y727 HydrophobicContact CB-CD1 3.96Å; L358-Y727 HydrophobicContact CB-CD2 4.47Å; L358-Y727 HydrophobicContact CB-CE1 3.76Å; L358-Y727 HydrophobicContact CB-CE2 4.3Å; L358-Y727 HydrophobicContact CB-CG 4.3Å; L358-Y727 HydrophobicContact CD1-CD1 4.06Å; L358-Y727 HydrophobicContact CD1-CG 4.02Å; L358-Y727 HydrophobicContact CG-CD1 4.45Å; L358-L730 HydrophobicContact CD1-CB 4.12Å; L358-L730 HydrophobicContact CD2-CB 3.96Å; L358-L730 HydrophobicContact CD2-CD1 3.65Å; L358-L730 HydrophobicContact CD2-CG 4.43Å
359G93.4Very high88.2Confident0 Ų048.6 Ų48.60%027%0.265CS..EExtended strand (participates in β ladder)trans-116.5147.2170.100000111.5T351 Y352 V595T351-G359 CarbonylContact C-O 3.02Å; T351-G359 VanDerWaalsContact CA-O 3.3Å; T351-G359 WeakPolarHBondContact CA-O 3.49Å; Y352-G359 PolarHBondContact N-O 2.82Å; Y352-G359 PolarHBondContact O-N 3.3Å; G359-V595 CarbonylContact C-O 3.58Å; G359-V595 VanDerWaalsContact CA-O 3.27Å; G359-V595 WeakPolarHBondContact CA-O 3.36Å
360W92.2Very high88.9Confident19 Ų1947.5 Ų47.57%0.07225%0.254CS..EExtended strand (participates in β ladder)trans-137.4133.2169.1-18091.4000110F345 I350 R362 V593 L594 V595F345-W360 HydrophobicContact CD1-CH2 4.43Å; I350-W360 WeakPolarHBondContact O-CA 3.41Å; W360-R362 HydrophobicContact CH2-CG 4.06Å; W360-V593 HydrophobicContact CZ3-CG1 4.09Å; W360-L594 CarbonylContact O-C 3.58Å; W360-L594 WeakPolarHBondContact O-CA 3.38Å; W360-V595 HydrophobicContact CE3-CG2 4.24Å; W360-V595 PolarHBondContact N-O 3.37Å; W360-V595 PolarHBondContact O-N 3.41Å
361S90.9Very high88.9Confident0 Ų044.6 Ų44.60%024%0.239CC..EExtended strand (participates in β ladder)trans-151.8149.6179.5170.70000110.4I350 H363I350-S361 PolarHBondContact N-O 3.47Å; I350-S361 PolarHBondContact O-N 2.83Å; I350-S361 VanDerWaalsContact O-N 3.07Å; S361-H363 WeakPolarHBondContact CB-O 3.26Å; S361-H363 PolarHBondContact O-N 3.09Å; S361-H363 PolarHBondContact OG-N 3.46Å; S361-H363 PolarHBondContact OG-O 2.48Å
362R84.4Confident88.7Confident115 Ų11548 Ų4843%0.43426%0.26SS..SBendtrans-69.7-22.3167-62.7-176.9-173-96.83.2112.7W360 P591W360-R362 HydrophobicContact CH2-CG 4.06Å; R362-P591 WeakPolarHBondContact CD-O 3.31Å; R362-P591 PolarHBondContact NE-O 2.96Å
363H84.8Confident88.5Confident53 Ų5351.7 Ų51.725%0.24528%0.278CS..SBendtrans-109.9146.9-174.1-63.3-93000111.4S361 V365 K410 D592S361-H363 WeakPolarHBondContact CB-O 3.26Å; S361-H363 PolarHBondContact O-N 3.09Å; S361-H363 PolarHBondContact OG-N 3.46Å; S361-H363 PolarHBondContact OG-O 2.48Å; H363-V365 PolarHBondContact O-N 3.23Å; H363-K410 PolarHBondContact ND1-NZ 3.44Å; H363-D592 IonicContact CD2-OD1 3Å; H363-D592 IonicContact CE1-OD1 3.69Å; H363-D592 IonicContact NE2-OD1 3.84Å; H363-D592 PolarHBondContact NE2-OD1 3.18Å
364A88.5Confident88.4Confident83 Ų8347.9 Ų47.969%0.68626%0.257SS*.  trans-63119.5172.100000111.2I350 Y352I350-A364 HydrophobicContact CD1-CB 4.11Å; Y352-A364 WeakPolarHBondContact OH-CA 3.28Å
365V90.2Very high88.1Confident10 Ų1046.5 Ų46.56%0.06125%0.253CS..  trans-109119.9172.9-177.20000109.1Y352 H363 F401 P404 H405 L594Y352-V365 WeakPolarHBondContact CE1-O 3.27Å; Y352-V365 HydrophobicContact CE2-CB 4.24Å; Y352-V365 HydrophobicContact CE2-CG2 4.49Å; Y352-V365 PolarHBondContact OH-N 3.12Å; H363-V365 PolarHBondContact O-N 3.23Å; V365-F401 HydrophobicContact CG1-CB 4.26Å; V365-F401 HydrophobicContact CG1-CD1 4.31Å; V365-F401 WeakPolarHBondContact CG1-O 3.42Å; V365-P404 HydrophobicContact CG1-CG 4.28Å; V365-H405 HydrophobicContact CG1-CB 4.48Å; V365-H405 HydrophobicContact CG2-CB 4.32Å; V365-L594 HydrophobicContact CG2-CD1 4.26Å; V365-L594 HydrophobicContact CG2-CD2 4.35Å
366V90.8Very high88Confident118 Ų11845.8 Ų45.872%0.71526%0.257SS*.PPolyproline II helixtrans-92117.5170.9-178.80000107.9P404V366-P404 VanDerWaalsContact O-CG 3.31Å; V366-P404 WeakPolarHBondContact O-CG 3.37Å
367P92.5Very high88.1Confident35 Ų3544.3 Ų44.323%0.22724%0.24CC..PPolyproline II helixtrans-75136.8-177.728.4-33.2000112.1Y355 R400 F401Y355-P367 HydrophobicContact CE2-CB 4.04Å; Y355-P367 HydrophobicContact CE2-CG 3.99Å; P367-R400 CarbonylContact C-O 3.24Å; P367-R400 WeakPolarHBondContact CA-O 3.43Å; P367-R400 HydrophobicContact CB-CB 4.16Å; P367-F401 HydrophobicContact CB-CD1 3.85Å; P367-F401 HydrophobicContact CB-CE1 3.77Å; P367-F401 HydrophobicContact CB-CG 4.36Å; P367-F401 HydrophobicContact CB-CZ 4.22Å; P367-F401 HydrophobicContact CG-CD1 4.42Å; P367-F401 HydrophobicContact CG-CE1 3.96Å; P367-F401 HydrophobicContact CG-CZ 4.49Å
368C91.8Very high88Confident4 Ų445.8 Ų45.83%0.02725%0.251CS..PPolyproline II helixtrans-86.9142.8170.763.40000111.3E373 R400C368-E373 HydrophobicContact CB-CB 3.73Å; C368-R400 PolarHBondContact N-O 3.23Å; C368-R400 WeakPolarHBondContact O-CA 3.34Å; C368-R400 WeakPolarHBondContact O-CB 3.46Å; C368-R400 WeakPolarHBondContact O-CG 3.49Å; C368-R400 PolarHBondContact SG-O 2.85Å
369Y88.4Confident87.8Confident112 Ų11250.7 Ų50.744%0.43928%0.281SS..SBendtrans-80.2-33.2176.2-170.3-97.5000112.9E373 R394 A395 R400Y369-E373 VanDerWaalsContact CB-OE2 3.31Å; Y369-E373 WeakPolarHBondContact CB-OE2 3.46Å; Y369-E373 PolarHBondContact N-OE2 3.25Å; Y369-R394 HydrophobicContact CE1-CB 4.21Å; Y369-A395 PolarHBondContact O-N 2.75Å; Y369-R400 VanDerWaalsContact CD2-NH1 3.32Å; Y369-R400 PolarHBondContact O-NH2 3.38Å
370G86.3Confident87.7Confident8 Ų853.4 Ų53.48%0.08230%0.295CS..SBendtrans-151179.2-178.600000113.7T372 E373 A374G370-T372 PolarHBondContact O-N 3.2Å; G370-E373 PolarHBondContact O-N 3.12Å; G370-A374 PolarHBondContact O-N 2.74Å
371L84.3Confident87.8Confident8 Ų852.5 Ų52.54%0.04229%0.291CS..THydrogen-bonded Turntrans-58.8-29.3-177.9-84.6164.7000114.2E373 R382 M385 Q386 A391 W403L371-E373 VanDerWaalsContact C-N 3.32Å; L371-E373 PolarHBondContact O-N 3.18Å; L371-R382 HydrophobicContact CD2-CG 4.4Å; L371-R382 PolarHBondContact O-NE 2.99Å; L371-R382 PolarHBondContact O-NH2 2.95Å; L371-M385 HydrophobicContact CD1-CB 4.19Å; L371-M385 HydrophobicContact CD2-CE 3.64Å; L371-M385 HydrophobicContact CD2-SD 3.61Å; L371-Q386 HydrophobicContact CD1-CG 4.28Å; L371-A391 HydrophobicContact CD1-CB 3.88Å; L371-A391 HydrophobicContact CG-CB 4.04Å; L371-W403 HydrophobicContact CD2-CE3 4.4Å; L371-W403 HydrophobicContact CD2-CH2 3.69Å; L371-W403 HydrophobicContact CD2-CZ2 4.34Å; L371-W403 HydrophobicContact CD2-CZ3 3.71Å; L371-W403 HydrophobicContact CG-CH2 3.87Å; L371-W403 HydrophobicContact CG-CZ3 3.84Å
372T83.8Confident87.8Confident104 Ų10455.1 Ų55.164%0.63830%0.301SS*.THydrogen-bonded Turntrans-63.5-37.6179.440.60000112.7G370 R382G370-T372 PolarHBondContact O-N 3.2Å; T372-R382 PolarHBondContact O-NH1 3.48Å; T372-R382 PolarHBondContact O-NH2 3.3Å; T372-R382 VanDerWaalsContact O-NH2 3.12Å
373E84.9Confident88Confident105 Ų10556.6 Ų56.649%0.49131%0.307SS..THydrogen-bonded Turntrans-89.9-9.4-176-68.4161.2-136.600113.4C368 Y369 G370 L371 P375C368-E373 HydrophobicContact CB-CB 3.73Å; Y369-E373 VanDerWaalsContact CB-OE2 3.31Å; Y369-E373 WeakPolarHBondContact CB-OE2 3.46Å; Y369-E373 PolarHBondContact N-OE2 3.25Å; G370-E373 PolarHBondContact O-N 3.12Å; L371-E373 VanDerWaalsContact C-N 3.32Å; L371-E373 PolarHBondContact O-N 3.18Å; E373-P375 VanDerWaalsContact O-CD 3.29Å; E373-P375 WeakPolarHBondContact O-CD 3.49Å
374A84.3Confident88.3Confident0 Ų054 Ų540%030%0.295CS..SBendtrans-73.3111.3179.800000110.5G370 I377 R382 W403G370-A374 PolarHBondContact O-N 2.74Å; A374-I377 HydrophobicContact CB-CD1 3.83Å; A374-I377 HydrophobicContact CB-CG1 4.28Å; A374-R382 PolarHBondContact O-NH2 3.07Å; A374-W403 HydrophobicContact CB-CB 4.14Å; A374-W403 HydrophobicContact CB-CE3 3.94Å
375P79.5Confident88.5Confident49 Ų4950.1 Ų50.132%0.31826%0.263SS..THydrogen-bonded Turntrans-65.9148.9-175.628.8-34.4000111E373 I377 P404 S407E373-P375 VanDerWaalsContact O-CD 3.29Å; E373-P375 WeakPolarHBondContact O-CD 3.49Å; P375-I377 PolarHBondContact O-N 3.29Å; P375-P404 HydrophobicContact CG-CB 3.77Å; P375-S407 WeakPolarHBondContact O-CB 3.31Å; P375-S407 PolarHBondContact O-OG 3.07Å
376D84.6Confident88.4Confident101 Ų10154.4 Ų54.454%0.5428%0.282SS..THydrogen-bonded Turntrans59.46.8173.6-46.6-38.4000117Q432D376-Q432 PolarHBondContact O-NE2 2.86Å
377I88.8Confident88.3Confident5 Ų554.6 Ų54.63%0.02628%0.275CS..  trans-85.2114.7164-53.2-173.7000108.8A374 P375 I381 R382 W403A374-I377 HydrophobicContact CB-CD1 3.83Å; A374-I377 HydrophobicContact CB-CG1 4.28Å; P375-I377 PolarHBondContact O-N 3.29Å; I377-I381 HydrophobicContact CG2-CB 4.11Å; I377-I381 HydrophobicContact CG2-CG2 3.57Å; I377-R382 HydrophobicContact CG2-CG 3.98Å; I377-R382 PolarHBondContact O-NE 3.31Å; I377-W403 HydrophobicContact CD1-CB 4.12Å; I377-W403 HydrophobicContact CD1-CD2 4.28Å; I377-W403 HydrophobicContact CD1-CG 4.02Å
378S90.3Very high88.1Confident32 Ų3255.4 Ų55.422%0.22428%0.277CS..  trans-59.9153.3-178.264.70000113.7I380 I381 R382 Q432S378-I380 PolarHBondContact O-N 3.28Å; S378-I381 PolarHBondContact O-N 3.26Å; S378-I381 WeakPolarHBondContact OG-CB 3.13Å; S378-I381 WeakPolarHBondContact OG-CG1 3.41Å; S378-I381 PolarHBondContact OG-N 3.2Å; S378-R382 VanDerWaalsContact O-CG 3.28Å; S378-R382 WeakPolarHBondContact O-CG 3.36Å; S378-R382 PolarHBondContact O-N 3.33Å; S378-Q432 VanDerWaalsContact CB-OE1 3.24Å; S378-Q432 PolarHBondContact OG-OE1 3.32Å
379T89.9Confident87.8Confident103 Ų10356.7 Ų56.763%0.63229%0.291SS*.Hα-helixtrans-59.9-31.8176.551.30000113R383T379-R383 PolarHBondContact O-N 2.77Å
380I91.4Very high87.7Confident57 Ų5752.1 Ų52.129%0.29227%0.274SS..Hα-helixtrans-66.2-51.6176.1-60.6176000110.5S378 R382 R383 A384 L473 L474S378-I380 PolarHBondContact O-N 3.28Å; I380-R382 VanDerWaalsContact C-N 3.35Å; I380-R382 PolarHBondContact O-N 3.33Å; I380-R383 WeakPolarHBondContact O-CB 3.18Å; I380-R383 PolarHBondContact O-N 3.38Å; I380-R383 VanDerWaalsContact O-N 3.11Å; I380-A384 PolarHBondContact O-N 2.65Å; I380-L473 VanDerWaalsContact CG2-C 3.47Å; I380-L473 HydrophobicContact CG2-CB 3.62Å; I380-L473 WeakPolarHBondContact CG2-O 3.44Å; I380-L474 HydrophobicContact CB-CD2 4.08Å; I380-L474 HydrophobicContact CD1-CD2 4.3Å; I380-L474 HydrophobicContact CG2-CD2 3.83Å; I380-L474 HydrophobicContact CG2-CG 4.29Å
381I92.6Very high87.4Confident0 Ų052.7 Ų52.70%028%0.278CS..Hα-helixtrans-63.4-40.9177.5-72.1-75.5000111.2I377 S378 R383 A384 M385 P428 Q432 L470 L474I377-I381 HydrophobicContact CG2-CB 4.11Å; I377-I381 HydrophobicContact CG2-CG2 3.57Å; S378-I381 PolarHBondContact O-N 3.26Å; S378-I381 WeakPolarHBondContact OG-CB 3.13Å; S378-I381 WeakPolarHBondContact OG-CG1 3.41Å; S378-I381 PolarHBondContact OG-N 3.2Å; I381-R383 VanDerWaalsContact C-N 3.27Å; I381-R383 PolarHBondContact O-N 3.35Å; I381-A384 PolarHBondContact O-N 3.22Å; I381-M385 HydrophobicContact CG2-CG 4.36Å; I381-M385 HydrophobicContact CG2-SD 3.97Å; I381-M385 WeakPolarHBondContact O-CB 3.39Å; I381-M385 VanDerWaalsContact O-CG 3.26Å; I381-M385 WeakPolarHBondContact O-CG 3.03Å; I381-M385 PolarHBondContact O-N 3.1Å; I381-P428 HydrophobicContact CG2-CB 3.71Å; I381-Q432 HydrophobicContact CD1-CB 4.48Å; I381-Q432 HydrophobicContact CG1-CB 4.06Å; I381-Q432 HydrophobicContact CG1-CG 4.19Å; I381-L470 HydrophobicContact CD1-CB 3.93Å; I381-L470 HydrophobicContact CD1-CD2 4.03Å; I381-L470 WeakPolarHBondContact CD1-O 3.44Å; I381-L470 HydrophobicContact CG2-CD2 4.25Å; I381-L474 HydrophobicContact CD1-CD1 4.03Å; I381-L474 HydrophobicContact CD1-CG 4.37Å; I381-L474 HydrophobicContact CG1-CD1 4.37Å; I381-L474 HydrophobicContact CG1-CD2 4.28Å
382R91.1Very high86.9Confident55 Ų5561.6 Ų61.621%0.20831%0.311CS..Hα-helixtrans-55.9-41.2172.9-69171.6-172.1-155.4-9.6111.7L371 T372 A374 I377 S378 I380 M385 Q386L371-R382 HydrophobicContact CD2-CG 4.4Å; L371-R382 PolarHBondContact O-NE 2.99Å; L371-R382 PolarHBondContact O-NH2 2.95Å; T372-R382 PolarHBondContact O-NH1 3.48Å; T372-R382 PolarHBondContact O-NH2 3.3Å; T372-R382 VanDerWaalsContact O-NH2 3.12Å; A374-R382 PolarHBondContact O-NH2 3.07Å; I377-R382 HydrophobicContact CG2-CG 3.98Å; I377-R382 PolarHBondContact O-NE 3.31Å; S378-R382 VanDerWaalsContact O-CG 3.28Å; S378-R382 WeakPolarHBondContact O-CG 3.36Å; S378-R382 PolarHBondContact O-N 3.33Å; I380-R382 VanDerWaalsContact C-N 3.35Å; I380-R382 PolarHBondContact O-N 3.33Å; R382-M385 PolarHBondContact O-N 3.08Å; R382-Q386 VanDerWaalsContact O-CG 3.29Å; R382-Q386 WeakPolarHBondContact O-CG 3.45Å; R382-Q386 PolarHBondContact O-N 3Å
383R88.9Confident86.6Confident146 Ų14661.7 Ų61.755%0.55132%0.316SS*.Hα-helixtrans-66.6-45.3176.6-173.3-176.1-67.8148.8-2.8112.2T379 I380 I381 M385 Q386 Q387T379-R383 PolarHBondContact O-N 2.77Å; I380-R383 WeakPolarHBondContact O-CB 3.18Å; I380-R383 PolarHBondContact O-N 3.38Å; I380-R383 VanDerWaalsContact O-N 3.11Å; I381-R383 VanDerWaalsContact C-N 3.27Å; I381-R383 PolarHBondContact O-N 3.35Å; R383-M385 VanDerWaalsContact C-N 3.32Å; R383-M385 PolarHBondContact O-N 3.06Å; R383-Q386 PolarHBondContact O-N 2.8Å; R383-Q387 WeakPolarHBondContact O-CG 3.32Å; R383-Q387 PolarHBondContact O-N 2.9Å
384A91.3Very high86.6Confident0 Ų064 Ų640%032%0.32CS..Hα-helixtrans-58.1-45174.800000111.5I380 I381 Q386 Q387 M388 L470 L473I380-A384 PolarHBondContact O-N 2.65Å; I381-A384 PolarHBondContact O-N 3.22Å; A384-Q386 PolarHBondContact O-N 3.01Å; A384-Q387 PolarHBondContact O-N 3.23Å; A384-M388 HydrophobicContact CB-CE 4.21Å; A384-M388 WeakPolarHBondContact O-CE 3.37Å; A384-M388 PolarHBondContact O-N 3.21Å; A384-M388 VanDerWaalsContact O-N 3.1Å; A384-L470 HydrophobicContact CB-CD2 3.98Å; A384-L473 HydrophobicContact CB-CD1 3.77Å; A384-L473 HydrophobicContact CB-CG 4.28Å
385M92.1Very high86.9Confident0 Ų064 Ų640%032%0.321CS..Hα-helixtrans-59.5-43.8176-71.1178.677.900112.4L371 I381 R382 R383 M388 G389 V390 W403 W424 P428 L470L371-M385 HydrophobicContact CD1-CB 4.19Å; L371-M385 HydrophobicContact CD2-CE 3.64Å; L371-M385 HydrophobicContact CD2-SD 3.61Å; I381-M385 HydrophobicContact CG2-CG 4.36Å; I381-M385 HydrophobicContact CG2-SD 3.97Å; I381-M385 WeakPolarHBondContact O-CB 3.39Å; I381-M385 VanDerWaalsContact O-CG 3.26Å; I381-M385 WeakPolarHBondContact O-CG 3.03Å; I381-M385 PolarHBondContact O-N 3.1Å; R382-M385 PolarHBondContact O-N 3.08Å; R383-M385 VanDerWaalsContact C-N 3.32Å; R383-M385 PolarHBondContact O-N 3.06Å; M385-M388 CarbonylContact O-C 3.58Å; M385-M388 PolarHBondContact O-N 2.98Å; M385-G389 PolarHBondContact O-N 3.38Å; M385-V390 HydrophobicContact CB-CB 4.13Å; M385-V390 HydrophobicContact CE-CB 4.36Å; M385-V390 HydrophobicContact CE-CG1 3.63Å; M385-V390 WeakPolarHBondContact O-CB 3.22Å; M385-V390 PolarHBondContact O-N 3.23Å; M385-W403 HydrophobicContact CE-CH2 4.02Å; M385-W403 HydrophobicContact CE-CZ2 3.53Å; M385-W424 HydrophobicContact CE-CE3 4.15Å; M385-W424 HydrophobicContact CE-CZ3 4.44Å; M385-W424 HydrophobicContact CG-CZ3 4.13Å; M385-P428 HydrophobicContact CE-CB 4.18Å; M385-P428 HydrophobicContact CE-CG 3.4Å; M385-P428 VanDerWaalsContact CE-CG 3.4Å; M385-P428 HydrophobicContact CG-CG 4.38Å; M385-P428 HydrophobicContact SD-CB 3.55Å; M385-P428 VanDerWaalsContact SD-CB 3.55Å; M385-P428 HydrophobicContact SD-CG 3.46Å; M385-P428 WeakPolarHBondContact SD-CG 3.2Å; M385-L470 HydrophobicContact CG-CD2 3.89Å
386Q88.8Confident87.5Confident101 Ų10167.9 Ų67.947%0.47233%0.329SS..Hα-helixtrans-63.3-41.3176.9-74.7169.6-2000112.7L371 R382 R383 A384 M388 G389L371-Q386 HydrophobicContact CD1-CG 4.28Å; R382-Q386 VanDerWaalsContact O-CG 3.29Å; R382-Q386 WeakPolarHBondContact O-CG 3.45Å; R382-Q386 PolarHBondContact O-N 3Å; R383-Q386 PolarHBondContact O-N 2.8Å; A384-Q386 PolarHBondContact O-N 3.01Å; Q386-M388 PolarHBondContact O-N 3.14Å; Q386-G389 WeakPolarHBondContact O-CA 3.46Å; Q386-G389 PolarHBondContact O-N 3.21Å
387Q88Confident87.8Confident121 Ų12164.1 Ų64.157%0.56531%0.312SS*.Hα-helixtrans-59.8-44.3175.2-73174.1-1700111.5R383 A384 G389R383-Q387 WeakPolarHBondContact O-CG 3.32Å; R383-Q387 PolarHBondContact O-N 2.9Å; A384-Q387 PolarHBondContact O-N 3.23Å; Q387-G389 PolarHBondContact O-N 3.19Å; Q387-G389 VanDerWaalsContact O-N 3.13Å
388M88.4Confident88.1Confident53 Ų5363.9 Ų63.926%0.26131%0.31SS..THydrogen-bonded Turntrans-72.34.2173.2-69179.7-79.200114.4A384 M385 Q386 V390 W424 T469 L470A384-M388 HydrophobicContact CB-CE 4.21Å; A384-M388 WeakPolarHBondContact O-CE 3.37Å; A384-M388 PolarHBondContact O-N 3.21Å; A384-M388 VanDerWaalsContact O-N 3.1Å; M385-M388 CarbonylContact O-C 3.58Å; M385-M388 PolarHBondContact O-N 2.98Å; Q386-M388 PolarHBondContact O-N 3.14Å; M388-V390 VanDerWaalsContact C-N 3.26Å; M388-V390 HydrophobicContact CB-CG2 4.19Å; M388-V390 PolarHBondContact O-N 3.18Å; M388-W424 HydrophobicContact CE-CH2 3.63Å; M388-W424 HydrophobicContact CE-CZ3 4.32Å; M388-W424 HydrophobicContact SD-CH2 3.74Å; M388-W424 HydrophobicContact SD-CZ2 4.15Å; M388-T469 HydrophobicContact CE-CG2 3.86Å; M388-T469 HydrophobicContact CG-CG2 3.84Å; M388-T469 HydrophobicContact SD-CG2 3.72Å; M388-L470 HydrophobicContact CE-CD2 3.65Å; M388-L470 HydrophobicContact CE-CG 3.86Å
389G85.9Confident88.3Confident31 Ų3162.4 Ų62.432%0.3230%0.3SS..THydrogen-bonded Turntrans73.810.6179.400000115.3M385 Q386 Q387 A391M385-G389 PolarHBondContact O-N 3.38Å; Q386-G389 WeakPolarHBondContact O-CA 3.46Å; Q386-G389 PolarHBondContact O-N 3.21Å; Q387-G389 PolarHBondContact O-N 3.19Å; Q387-G389 VanDerWaalsContact O-N 3.13Å; G389-A391 PolarHBondContact O-N 2.65Å
390V86.1Confident88.5Confident16 Ų1658.2 Ų58.210%0.09727%0.273CS..THydrogen-bonded Turntrans-74.3124.5178.5-1750000109.5M385 M388 R392 W424M385-V390 HydrophobicContact CB-CB 4.13Å; M385-V390 HydrophobicContact CE-CB 4.36Å; M385-V390 HydrophobicContact CE-CG1 3.63Å; M385-V390 WeakPolarHBondContact O-CB 3.22Å; M385-V390 PolarHBondContact O-N 3.23Å; M388-V390 VanDerWaalsContact C-N 3.26Å; M388-V390 HydrophobicContact CB-CG2 4.19Å; M388-V390 PolarHBondContact O-N 3.18Å; V390-R392 VanDerWaalsContact C-N 3.28Å; V390-R392 PolarHBondContact O-N 3Å; V390-W424 HydrophobicContact CG1-CD2 4.2Å; V390-W424 HydrophobicContact CG1-CE3 4.09Å; V390-W424 HydrophobicContact CG2-CD2 3.86Å; V390-W424 HydrophobicContact CG2-CE3 3.97Å; V390-W424 HydrophobicContact CG2-CH2 3.93Å; V390-W424 HydrophobicContact CG2-CZ2 3.78Å; V390-W424 HydrophobicContact CG2-CZ3 4Å
391A80.1Confident88.6Confident19 Ų1955.5 Ų55.516%0.15726%0.259CS..THydrogen-bonded Turntrans51.137.517600000115.6L371 G389 S393 R394 W403L371-A391 HydrophobicContact CD1-CB 3.88Å; L371-A391 HydrophobicContact CG-CB 4.04Å; G389-A391 PolarHBondContact O-N 2.65Å; A391-S393 PolarHBondContact O-N 3.14Å; A391-R394 WeakPolarHBondContact CA-O 3.38Å; A391-R394 WeakPolarHBondContact CB-O 3.49Å; A391-W403 HydrophobicContact CB-CH2 3.74Å; A391-W403 HydrophobicContact CB-CZ3 4.44Å
392R75.3Confident88.8Confident195 Ų19555.5 Ų55.574%0.73626%0.259SS*.SBendtrans-47-35.7176.9-76-176175.51665114.6V390V390-R392 VanDerWaalsContact C-N 3.28Å; V390-R392 PolarHBondContact O-N 3Å
393S76.3Confident89Confident107 Ų10752.9 Ų52.975%0.74825%0.249SC*.SBendtrans-122-28.8179.658.10000114.7A391A391-S393 PolarHBondContact O-N 3.14Å
394R85.9Confident89.2Confident153 Ų15346.5 Ų46.558%0.57723%0.227SC*.  trans-161.9152.8178.763.6-174.4-177.8-1770.5111.9Y369 A391Y369-R394 HydrophobicContact CE1-CB 4.21Å; A391-R394 WeakPolarHBondContact CA-O 3.38Å; A391-R394 WeakPolarHBondContact CB-O 3.49Å
395A90.5Very high89.3Confident1 Ų146.8 Ų46.81%0.00823%0.228CC..  trans-69.1143168.900000110.8Y369 Q399 R400 W403Y369-A395 PolarHBondContact O-N 2.75Å; A395-Q399 HydrophobicContact CB-CB 4.4Å; A395-R400 HydrophobicContact CB-CG 3.92Å; A395-R400 PolarHBondContact O-NE 2.84Å; A395-R400 PolarHBondContact O-NH2 2.76Å; A395-W403 HydrophobicContact CB-CE3 4.11Å; A395-W403 HydrophobicContact CB-CH2 4.03Å; A395-W403 HydrophobicContact CB-CZ3 3.53Å
396R91.8Very high89.3Confident129 Ų12946.8 Ų46.849%0.48723%0.228SC..  trans-71.8155.2174.6-59.2-179.2172.9-167.1-8.3110.5V398 Q399 R400 Q419 I420R396-V398 PolarHBondContact O-N 2.99Å; R396-Q399 HydrophobicContact CB-CG 4.22Å; R396-Q399 VanDerWaalsContact N-OE1 3.09Å; R396-Q399 WeakPolarHBondContact O-CA 3.34Å; R396-Q399 VanDerWaalsContact O-CB 3.31Å; R396-Q399 WeakPolarHBondContact O-CB 3.48Å; R396-Q399 PolarHBondContact O-N 3.44Å; R396-R400 WeakPolarHBondContact O-CG 3.31Å; R396-R400 PolarHBondContact O-N 2.75Å; R396-R400 VanDerWaalsContact O-N 3.17Å; R396-Q419 PolarHBondContact NH1-O 3.4Å; R396-I420 WeakPolarHBondContact CD-O 3.39Å; R396-I420 PolarHBondContact NH1-O 2.82Å
397A91.2Very high89.4Confident22 Ų2242.1 Ų42.118%0.18221%0.206CC..Hα-helixtrans-50.4-51.3-165.400000114.2Y355 V357 Q399 R400 F401Y355-A397 WeakPolarHBondContact O-CB 3.5Å; V357-A397 HydrophobicContact CG2-CB 3.48Å; V357-A397 VanDerWaalsContact CG2-CB 3.48Å; A397-Q399 PolarHBondContact O-N 3.01Å; A397-R400 WeakPolarHBondContact O-CB 3.2Å; A397-R400 PolarHBondContact O-N 3.4Å; A397-F401 WeakPolarHBondContact O-CD2 3.46Å
398V94Very high89.4Confident0 Ų040.5 Ų40.50%020%0.201CC..Hα-helixtrans-65.7-35.1176.7-66.30000113.7V357 R396 R400 F401 A402 V414 I420 L596 D598V357-V398 HydrophobicContact CG1-CG1 4.26Å; V357-V398 HydrophobicContact CG2-CG1 3.69Å; R396-V398 PolarHBondContact O-N 2.99Å; V398-R400 VanDerWaalsContact C-N 3.26Å; V398-R400 PolarHBondContact O-N 3.05Å; V398-F401 PolarHBondContact O-N 3.49Å; V398-A402 WeakPolarHBondContact O-CB 3.29Å; V398-A402 PolarHBondContact O-N 2.96Å; V398-V414 HydrophobicContact CB-CG1 4.07Å; V398-V414 HydrophobicContact CG1-CG1 4.06Å; V398-V414 HydrophobicContact CG2-CG1 4.22Å; V398-I420 HydrophobicContact CG1-CD1 4.44Å; V398-I420 HydrophobicContact CG2-CD1 4.48Å; V398-L596 HydrophobicContact CB-CD1 4.17Å; V398-L596 HydrophobicContact CG1-CB 4.38Å; V398-L596 WeakPolarHBondContact O-CD1 3.29Å; V398-D598 HydrophobicContact CG1-CB 3.82Å
399Q94.4Very high89.4Confident2 Ų238.4 Ų38.41%0.00919%0.193CC..Hα-helixtrans-64.6-31.9-179.4-63.6170.4-18.900111.9A395 R396 A397 F401 A402 W403 G421 W424A395-Q399 HydrophobicContact CB-CB 4.4Å; R396-Q399 HydrophobicContact CB-CG 4.22Å; R396-Q399 VanDerWaalsContact N-OE1 3.09Å; R396-Q399 WeakPolarHBondContact O-CA 3.34Å; R396-Q399 VanDerWaalsContact O-CB 3.31Å; R396-Q399 WeakPolarHBondContact O-CB 3.48Å; R396-Q399 PolarHBondContact O-N 3.44Å; A397-Q399 PolarHBondContact O-N 3.01Å; Q399-F401 PolarHBondContact O-N 3.42Å; Q399-A402 PolarHBondContact O-N 2.86Å; Q399-W403 HydrophobicContact CB-CD2 4.08Å; Q399-W403 HydrophobicContact CB-CE3 4.49Å; Q399-W403 HydrophobicContact CB-CH2 4.37Å; Q399-W403 HydrophobicContact CB-CZ2 3.91Å; Q399-W403 HydrophobicContact CG-CZ2 4.13Å; Q399-W403 WeakPolarHBondContact O-CB 3.42Å; Q399-W403 PolarHBondContact O-N 3.14Å; Q399-G421 PolarHBondContact NE2-O 3.04Å; Q399-W424 VanDerWaalsContact NE2-CB 3.28Å
400R94Very high89.7Confident14 Ų1438.2 Ų38.25%0.05318%0.184CC..Hα-helixtrans-55.2-38.1177.6-60.7-179174.5-131.8-23.4112.8P367 C368 Y369 A395 R396 A397 V398 P404P367-R400 CarbonylContact C-O 3.24Å; P367-R400 WeakPolarHBondContact CA-O 3.43Å; P367-R400 HydrophobicContact CB-CB 4.16Å; C368-R400 PolarHBondContact N-O 3.23Å; C368-R400 WeakPolarHBondContact O-CA 3.34Å; C368-R400 WeakPolarHBondContact O-CB 3.46Å; C368-R400 WeakPolarHBondContact O-CG 3.49Å; C368-R400 PolarHBondContact SG-O 2.85Å; Y369-R400 VanDerWaalsContact CD2-NH1 3.32Å; Y369-R400 PolarHBondContact O-NH2 3.38Å; A395-R400 HydrophobicContact CB-CG 3.92Å; A395-R400 PolarHBondContact O-NE 2.84Å; A395-R400 PolarHBondContact O-NH2 2.76Å; R396-R400 WeakPolarHBondContact O-CG 3.31Å; R396-R400 PolarHBondContact O-N 2.75Å; R396-R400 VanDerWaalsContact O-N 3.17Å; A397-R400 WeakPolarHBondContact O-CB 3.2Å; A397-R400 PolarHBondContact O-N 3.4Å; V398-R400 VanDerWaalsContact C-N 3.26Å; V398-R400 PolarHBondContact O-N 3.05Å; R400-P404 WeakPolarHBondContact O-CD 3.35Å; R400-P404 WeakPolarHBondContact O-CG 3.3Å
401F94.9Very high90.1Very high0 Ų037.7 Ų37.70%018%0.181CC..Hα-helixtrans-94-37.1178.6-59.1-86.1000112Y352 N354 Y355 V357 V365 P367 A397 V398 Q399 P404 L594 L596Y352-F401 HydrophobicContact CD1-CE1 4.16Å; Y352-F401 HydrophobicContact CG-CD1 4.39Å; Y352-F401 AromaticContact CG-CE1 4Å; Y352-F401 HydrophobicContact CG-CE1 4Å; N354-F401 HydrophobicContact CB-CZ 4.18Å; Y355-F401 HydrophobicContact CD2-CE2 4.03Å; Y355-F401 HydrophobicContact CD2-CZ 4.02Å; Y355-F401 HydrophobicContact CE2-CZ 4.47Å; V357-F401 HydrophobicContact CB-CE2 4.25Å; V357-F401 HydrophobicContact CG1-CD2 4.26Å; V357-F401 HydrophobicContact CG1-CE2 4.26Å; V365-F401 HydrophobicContact CG1-CB 4.26Å; V365-F401 HydrophobicContact CG1-CD1 4.31Å; V365-F401 WeakPolarHBondContact CG1-O 3.42Å; P367-F401 HydrophobicContact CB-CD1 3.85Å; P367-F401 HydrophobicContact CB-CE1 3.77Å; P367-F401 HydrophobicContact CB-CG 4.36Å; P367-F401 HydrophobicContact CB-CZ 4.22Å; P367-F401 HydrophobicContact CG-CD1 4.42Å; P367-F401 HydrophobicContact CG-CE1 3.96Å; P367-F401 HydrophobicContact CG-CZ 4.49Å; A397-F401 WeakPolarHBondContact O-CD2 3.46Å; V398-F401 PolarHBondContact O-N 3.49Å; Q399-F401 PolarHBondContact O-N 3.42Å; F401-P404 WeakPolarHBondContact O-CG 3.34Å; F401-L594 HydrophobicContact CB-CD2 4.09Å; F401-L594 WeakPolarHBondContact O-CD2 3.46Å; F401-L596 HydrophobicContact CB-CD1 4.1Å; F401-L596 HydrophobicContact CB-CD2 3.82Å; F401-L596 HydrophobicContact CD2-CD2 4.42Å; F401-L596 HydrophobicContact CG-CD2 4.25Å
402A95.4Very high90.9Very high0 Ų036.8 Ų36.80%017%0.173CC..Hα-helixtrans-68.7-46.1-175.300000113V398 Q399 H405 V406 V412 S425 L596V398-A402 WeakPolarHBondContact O-CB 3.29Å; V398-A402 PolarHBondContact O-N 2.96Å; Q399-A402 PolarHBondContact O-N 2.86Å; A402-H405 PolarHBondContact O-N 2.82Å; A402-V406 VanDerWaalsContact O-CB 3.29Å; A402-V406 WeakPolarHBondContact O-CB 3.2Å; A402-V406 WeakPolarHBondContact O-CG2 3.21Å; A402-V406 PolarHBondContact O-N 3.28Å; A402-V412 HydrophobicContact CB-CG2 4.39Å; A402-S425 WeakPolarHBondContact CB-O 3.22Å; A402-L596 HydrophobicContact CB-CD1 3.88Å
403W94.9Very high91.9Very high0 Ų027.5 Ų27.50%014%0.138CC..Hα-helixtrans-54.9-55.3-179-68.3-18.8000113.4L371 A374 I377 M385 A391 A395 Q399 H405 V406 S407 W424L371-W403 HydrophobicContact CD2-CE3 4.4Å; L371-W403 HydrophobicContact CD2-CH2 3.69Å; L371-W403 HydrophobicContact CD2-CZ2 4.34Å; L371-W403 HydrophobicContact CD2-CZ3 3.71Å; L371-W403 HydrophobicContact CG-CH2 3.87Å; L371-W403 HydrophobicContact CG-CZ3 3.84Å; A374-W403 HydrophobicContact CB-CB 4.14Å; A374-W403 HydrophobicContact CB-CE3 3.94Å; I377-W403 HydrophobicContact CD1-CB 4.12Å; I377-W403 HydrophobicContact CD1-CD2 4.28Å; I377-W403 HydrophobicContact CD1-CG 4.02Å; M385-W403 HydrophobicContact CE-CH2 4.02Å; M385-W403 HydrophobicContact CE-CZ2 3.53Å; A391-W403 HydrophobicContact CB-CH2 3.74Å; A391-W403 HydrophobicContact CB-CZ3 4.44Å; A395-W403 HydrophobicContact CB-CE3 4.11Å; A395-W403 HydrophobicContact CB-CH2 4.03Å; A395-W403 HydrophobicContact CB-CZ3 3.53Å; Q399-W403 HydrophobicContact CB-CD2 4.08Å; Q399-W403 HydrophobicContact CB-CE3 4.49Å; Q399-W403 HydrophobicContact CB-CH2 4.37Å; Q399-W403 HydrophobicContact CB-CZ2 3.91Å; Q399-W403 HydrophobicContact CG-CZ2 4.13Å; Q399-W403 WeakPolarHBondContact O-CB 3.42Å; Q399-W403 PolarHBondContact O-N 3.14Å; W403-H405 PolarHBondContact O-N 2.93Å; W403-V406 PolarHBondContact O-N 3.45Å; W403-S407 VanDerWaalsContact O-CB 3.32Å; W403-S407 WeakPolarHBondContact O-CB 2.85Å; W403-S407 PolarHBondContact O-N 3.09Å; W403-S407 PolarHBondContact O-OG 3.47Å; W403-W424 PolarHBondContact NE1-O 2.94Å
404P93.1Very high92.9Very high13 Ų1322.4 Ų22.48%0.08410%0.103CC..Hα-helixtrans-65.9-18.1179.624.6-34.3000114.7V365 V366 P375 R400 F401 L408V365-P404 HydrophobicContact CG1-CG 4.28Å; V366-P404 VanDerWaalsContact O-CG 3.31Å; V366-P404 WeakPolarHBondContact O-CG 3.37Å; P375-P404 HydrophobicContact CG-CB 3.77Å; R400-P404 WeakPolarHBondContact O-CD 3.35Å; R400-P404 WeakPolarHBondContact O-CG 3.3Å; F401-P404 WeakPolarHBondContact O-CG 3.34Å; P404-L408 WeakPolarHBondContact O-CD1 2.2Å; P404-L408 WeakPolarHBondContact O-CG 3.42Å
405H93.2Very high93.3Very high5 Ų515.1 Ų15.12%0.0238%0.075CC..Hα-helixtrans-90.2-44.4177.3-174.388.1000112.1V365 A402 W403 L408 K410 S411 D592 L594V365-H405 HydrophobicContact CG1-CB 4.48Å; V365-H405 HydrophobicContact CG2-CB 4.32Å; A402-H405 PolarHBondContact O-N 2.82Å; W403-H405 PolarHBondContact O-N 2.93Å; H405-L408 PolarHBondContact O-N 3.21Å; H405-K410 VanDerWaalsContact CE1-CB 3.49Å; H405-K410 WeakPolarHBondContact CE1-CB 3.19Å; H405-K410 WeakPolarHBondContact NE2-CB 3.44Å; H405-S411 PolarHBondContact CD2-O 3Å; H405-S411 PolarHBondContact NE2-O 3.42Å; H405-D592 PolarHBondContact NE2-O 3.33Å; H405-L594 HydrophobicContact CB-CB 4.5Å; H405-L594 HydrophobicContact CB-CD2 3.66Å; H405-L594 WeakPolarHBondContact CD2-CB 3.43Å; H405-L594 VanDerWaalsContact NE2-CB 3.31Å; H405-L594 WeakPolarHBondContact NE2-CB 3.34Å; H405-L594 PolarHBondContact NE2-N 3.37Å
406V93.3Very high93.4Very high0 Ų015 Ų150%08%0.075CC..Hα-helixtrans-68.2-38.2-179.5173.90000110.9A402 W403 L408 G409 V412 T429 R433 Q569 L571A402-V406 VanDerWaalsContact O-CB 3.29Å; A402-V406 WeakPolarHBondContact O-CB 3.2Å; A402-V406 WeakPolarHBondContact O-CG2 3.21Å; A402-V406 PolarHBondContact O-N 3.28Å; W403-V406 PolarHBondContact O-N 3.45Å; V406-L408 PolarHBondContact O-N 2.61Å; V406-G409 PolarHBondContact O-N 2.9Å; V406-V412 HydrophobicContact CG2-CB 3.8Å; V406-V412 HydrophobicContact CG2-CG1 3.58Å; V406-V412 HydrophobicContact CG2-CG2 4.39Å; V406-T429 HydrophobicContact CG1-CG2 4.02Å; V406-R433 PolarHBondContact O-NH1 2.92Å; V406-R433 VanDerWaalsContact O-NH1 3.16Å; V406-Q569 PolarHBondContact O-NE2 3.32Å; V406-L571 HydrophobicContact CG1-CD2 4.01Å; V406-L571 HydrophobicContact CG2-CD2 4.17Å
407S90.1Very high93.2Very high4 Ų411.9 Ų11.93%0.0287%0.067CC..THydrogen-bonded Turntrans-67.7-9.7176.872.10000114.6P375 W403 R433P375-S407 WeakPolarHBondContact O-CB 3.31Å; P375-S407 PolarHBondContact O-OG 3.07Å; W403-S407 VanDerWaalsContact O-CB 3.32Å; W403-S407 WeakPolarHBondContact O-CB 2.85Å; W403-S407 PolarHBondContact O-N 3.09Å; W403-S407 PolarHBondContact O-OG 3.47Å; S407-R433 PolarHBondContact O-NH2 3.32Å
408L88.8Confident92.8Very high86 Ų8615.4 Ų15.445%0.458%0.083SC..THydrogen-bonded Turntrans-96.64.9169.4-63.5176.6000114.2P404 H405 V406P404-L408 WeakPolarHBondContact O-CD1 2.2Å; P404-L408 WeakPolarHBondContact O-CG 3.42Å; H405-L408 PolarHBondContact O-N 3.21Å; V406-L408 PolarHBondContact O-N 2.61Å
409G88.8Confident92.2Very high10 Ų1023.9 Ų23.910%0.10312%0.122CC..THydrogen-bonded Turntrans85.311.917700000115V406V406-G409 PolarHBondContact O-N 2.9Å
410K91.9Very high91.7Very high26 Ų2624.9 Ų24.911%0.11313%0.127CC..  trans-97.1140-177.8-57.9-175.2-179.1-176.90111.5H363 H405 Q565 Q569H363-K410 PolarHBondContact ND1-NZ 3.44Å; H405-K410 VanDerWaalsContact CE1-CB 3.49Å; H405-K410 WeakPolarHBondContact CE1-CB 3.19Å; H405-K410 WeakPolarHBondContact NE2-CB 3.44Å; K410-Q565 HydrophobicContact CG-CG 4.37Å; K410-Q569 PolarHBondContact O-NE2 3.27Å
411S94.6Very high91.4Very high5 Ų524.5 Ų24.54%0.03513%0.128CC..  trans-64149.6-176.6-61.40000112.1H405 L570 V593 L594H405-S411 PolarHBondContact CD2-O 3Å; H405-S411 PolarHBondContact NE2-O 3.42Å; S411-L570 WeakPolarHBondContact CA-O 3.49Å; S411-L570 WeakPolarHBondContact CB-O 3.38Å; S411-L570 PolarHBondContact OG-N 3.39Å; S411-L570 VanDerWaalsContact OG-N 3.14Å; S411-L570 PolarHBondContact OG-O 3.22Å; S411-V593 WeakPolarHBondContact O-CA 3.45Å; S411-L594 PolarHBondContact O-N 3.19Å
412V95.9Very high91.4Very high0 Ų025 Ų250%013%0.13CC..EExtended strand (participates in β ladder)trans-136.6140.2179.677.60000111.3A402 V406 V414 Y426 L570 L571 V572 M590 L594 L596A402-V412 HydrophobicContact CB-CG2 4.39Å; V406-V412 HydrophobicContact CG2-CB 3.8Å; V406-V412 HydrophobicContact CG2-CG1 3.58Å; V406-V412 HydrophobicContact CG2-CG2 4.39Å; V412-V414 HydrophobicContact CG1-CG2 4.37Å; V412-V414 HydrophobicContact CG2-CG2 3.91Å; V412-Y426 HydrophobicContact CG1-CD1 4.25Å; V412-L570 PolarHBondContact N-O 3.44Å; V412-L571 HydrophobicContact CG1-CD2 3.77Å; V412-V572 PolarHBondContact O-N 3.35Å; V412-M590 VanDerWaalsContact O-CE 3.3Å; V412-M590 WeakPolarHBondContact O-CE 3.26Å; V412-L594 WeakPolarHBondContact CA-O 3.17Å; V412-L594 HydrophobicContact CG2-CB 4.22Å; V412-L594 HydrophobicContact CG2-CD2 4.25Å; V412-L594 HydrophobicContact CG2-CG 4.28Å; V412-L594 WeakPolarHBondContact CG2-O 3.19Å; V412-L596 HydrophobicContact CG2-CD1 4.42Å
413L96.6Very high91.4Very high0 Ų025.8 Ų25.80%014%0.135CC..EExtended strand (participates in β ladder)trans-122.5113.3172.9171.757.6000108.7V415 V572 W577 M582 L587 M590 V593 L594 V595 L596L413-V415 HydrophobicContact CD1-CG2 4.2Å; L413-V415 HydrophobicContact CG-CG2 4.37Å; L413-V572 CarbonylContact C-O 3.51Å; L413-V572 WeakPolarHBondContact CA-O 3.31Å; L413-V572 HydrophobicContact CD1-CB 3.69Å; L413-V572 HydrophobicContact CD1-CG1 3.57Å; L413-W577 HydrophobicContact CD2-CH2 4.14Å; L413-W577 HydrophobicContact CD2-CZ3 3.64Å; L413-M582 HydrophobicContact CD1-CE 4.47Å; L413-M582 HydrophobicContact CD1-SD 4.06Å; L413-M582 HydrophobicContact CD2-SD 4.08Å; L413-L587 HydrophobicContact CD2-CD2 4.03Å; L413-M590 HydrophobicContact CB-CE 4.23Å; L413-V593 HydrophobicContact CB-CG2 3.97Å; L413-L594 PolarHBondContact N-O 3.2Å; L413-V595 HydrophobicContact CD2-CG1 4.27Å; L413-V595 HydrophobicContact CD2-CG2 4.49Å; L413-V595 HydrophobicContact CG-CG1 4.33Å; L413-V595 CarbonylContact O-C 3.6Å; L413-V595 WeakPolarHBondContact O-CA 3.09Å; L413-L596 PolarHBondContact O-N 2.86Å
414V96.9Very high91.4Very high0 Ų027 Ų270%014%0.14CC..EExtended strand (participates in β ladder)trans-113118.1-177.3-169.30000110.7V398 V412 K422 V572 S573 G574 L596V398-V414 HydrophobicContact CB-CG1 4.07Å; V398-V414 HydrophobicContact CG1-CG1 4.06Å; V398-V414 HydrophobicContact CG2-CG1 4.22Å; V412-V414 HydrophobicContact CG1-CG2 4.37Å; V412-V414 HydrophobicContact CG2-CG2 3.91Å; V414-K422 HydrophobicContact CB-CD 4.46Å; V414-K422 HydrophobicContact CB-CG 4.43Å; V414-K422 HydrophobicContact CG1-CB 4.41Å; V414-K422 HydrophobicContact CG1-CD 4.19Å; V414-K422 HydrophobicContact CG1-CG 3.87Å; V414-K422 WeakPolarHBondContact O-CD 3.38Å; V414-V572 PolarHBondContact N-O 3.16Å; V414-S573 CarbonylContact O-C 3.53Å; V414-S573 WeakPolarHBondContact O-CA 3.27Å; V414-G574 PolarHBondContact O-N 3.09Å; V414-L596 HydrophobicContact CG1-CB 4.35Å; V414-L596 HydrophobicContact CG2-CD1 4.3Å
415V95.7Very high91.5Very high0 Ų026.3 Ų26.30%014%0.136CC..EExtended strand (participates in β ladder)trans-116.7134.2180-179.70000110.7L413 W577 L596 F597 D598 E602L413-V415 HydrophobicContact CD1-CG2 4.2Å; L413-V415 HydrophobicContact CG-CG2 4.37Å; V415-W577 HydrophobicContact CG2-CE3 4.12Å; V415-L596 PolarHBondContact N-O 3.38Å; V415-F597 HydrophobicContact CB-CD1 3.91Å; V415-F597 HydrophobicContact CB-CE1 4.11Å; V415-F597 HydrophobicContact CG1-CD1 4.12Å; V415-F597 HydrophobicContact CG1-CE1 4.28Å; V415-F597 HydrophobicContact CG2-CE1 4.47Å; V415-F597 WeakPolarHBondContact O-CA 3.2Å; V415-D598 PolarHBondContact O-N 3.44Å; V415-E602 HydrophobicContact CG1-CB 4.28Å
416G92.4Very high91.6Very high0 Ų026.1 Ų26.10%014%0.135CC..  trans156.4-173.8173.200000112.9K422 G574 R575G416-K422 PolarHBondContact O-NZ 2.74Å; G416-G574 PolarHBondContact N-O 3.31Å; G416-G574 VanDerWaalsContact N-O 3.15Å; G416-R575 WeakPolarHBondContact O-CA 3.49Å
417N86.9Confident91.7Very high62 Ų6226.1 Ų26.133%0.33214%0.135SC..  trans-59.2171.3-168.4-65.3-74.1000114.7I420 K422 D599 K720N417-I420 HydrophobicContact CB-CG2 4.05Å; N417-K422 PolarHBondContact O-NZ 2.88Å; N417-D599 PolarHBondContact ND2-OD2 3.11Å; N417-D599 PolarHBondContact OD1-OD2 3.44Å; N417-K720 PolarHBondContact ND2-NZ 3.43Å; N417-K720 PolarHBondContact OD1-NZ 3.44Å
418L82.1Confident91.9Very high96 Ų9625.9 Ų25.950%0.50313%0.133SC..THydrogen-bonded Turntrans-59.1154.5167.6-84.2-179.9000111I420L418-I420 PolarHBondContact O-N 3.48Å
419Q81.4Confident92.1Very high179 Ų17922.1 Ų22.184%0.83611%0.114SC*.THydrogen-bonded Turntrans58.612.5172.1-58.3178.5-3.800116.6R396 G421R396-Q419 PolarHBondContact NH1-O 3.4Å; Q419-G421 PolarHBondContact O-N 3.1Å
420I84.1Confident92.4Very high22 Ų2222 Ų2211%0.11311%0.111CC..SBendtrans-72.7-13.1173.769.5171.6000113.2R396 V398 N417 L418 K422 D598R396-I420 WeakPolarHBondContact CD-O 3.39Å; R396-I420 PolarHBondContact NH1-O 2.82Å; V398-I420 HydrophobicContact CG1-CD1 4.44Å; V398-I420 HydrophobicContact CG2-CD1 4.48Å; N417-I420 HydrophobicContact CB-CG2 4.05Å; L418-I420 PolarHBondContact O-N 3.48Å; I420-K422 HydrophobicContact CD1-CD 4.12Å; I420-K422 HydrophobicContact CD1-CG 3.63Å; I420-K422 HydrophobicContact CG1-CD 4.35Å; I420-K422 HydrophobicContact CG1-CG 3.5Å; I420-D598 HydrophobicContact CD1-CB 3.46Å; I420-D598 VanDerWaalsContact CD1-CB 3.46Å; I420-D598 VanDerWaalsContact CG2-OD2 3.26Å; I420-D598 WeakPolarHBondContact CG2-OD2 3.41Å
421G88.8Confident92.5Very high7 Ų720.7 Ų20.77%0.07211%0.105CC..  trans95.729.5-18000000114.6Q399 Q419 W424 S425Q399-G421 PolarHBondContact NE2-O 3.04Å; Q419-G421 PolarHBondContact O-N 3.1Å; G421-W424 CarbonylContact O-C 3.59Å; G421-W424 PolarHBondContact O-N 3.11Å; G421-S425 PolarHBondContact O-N 3.22Å; G421-S425 VanDerWaalsContact O-N 3.09Å; G421-S425 PolarHBondContact O-OG 3.49Å
422K94.1Very high92.4Very high9 Ų921.2 Ų21.24%0.03911%0.107CC..SBendtrans-54.3-57.6178.8-62.2-163.6-70.5-92.50113V414 G416 N417 I420 W424 S425 Y426 S573 G574V414-K422 HydrophobicContact CB-CD 4.46Å; V414-K422 HydrophobicContact CB-CG 4.43Å; V414-K422 HydrophobicContact CG1-CB 4.41Å; V414-K422 HydrophobicContact CG1-CD 4.19Å; V414-K422 HydrophobicContact CG1-CG 3.87Å; V414-K422 WeakPolarHBondContact O-CD 3.38Å; G416-K422 PolarHBondContact O-NZ 2.74Å; N417-K422 PolarHBondContact O-NZ 2.88Å; I420-K422 HydrophobicContact CD1-CD 4.12Å; I420-K422 HydrophobicContact CD1-CG 3.63Å; I420-K422 HydrophobicContact CG1-CD 4.35Å; I420-K422 HydrophobicContact CG1-CG 3.5Å; K422-W424 VanDerWaalsContact C-N 3.28Å; K422-W424 PolarHBondContact O-N 3.24Å; K422-S425 WeakPolarHBondContact O-CA 3.27Å; K422-S425 WeakPolarHBondContact O-CB 3.33Å; K422-S425 PolarHBondContact O-N 3.19Å; K422-S425 PolarHBondContact O-OG 2.86Å; K422-Y426 WeakPolarHBondContact O-CE1 3.36Å; K422-S573 VanDerWaalsContact CE-OG 3.27Å; K422-S573 WeakPolarHBondContact CE-OG 3.4Å; K422-G574 WeakPolarHBondContact CD-O 3.43Å; K422-G574 WeakPolarHBondContact CE-O 3.44Å; K422-G574 PolarHBondContact NZ-O 3.04Å; K422-G574 VanDerWaalsContact NZ-O 3.09Å
423T95.1Very high92.2Very high18 Ų1824.4 Ų24.411%0.1112%0.119CC..G310 helixtrans-53.5-46.6177.4-37.60000111.3S425 Y426 L427 F452 I463 W466 D537T423-S425 PolarHBondContact O-N 3.05Å; T423-S425 VanDerWaalsContact O-N 3.1Å; T423-Y426 PolarHBondContact O-N 3.5Å; T423-L427 HydrophobicContact CG2-CB 4.41Å; T423-L427 HydrophobicContact CG2-CD2 4.33Å; T423-L427 WeakPolarHBondContact O-CB 3.47Å; T423-L427 PolarHBondContact O-N 3.11Å; T423-F452 HydrophobicContact CG2-CZ 4.03Å; T423-I463 HydrophobicContact CG2-CD1 4.16Å; T423-I463 HydrophobicContact CG2-CG1 4.21Å; T423-W466 HydrophobicContact CG2-CZ3 4.27Å; T423-D537 WeakPolarHBondContact CB-OD2 3.47Å; T423-D537 WeakPolarHBondContact CG2-OD2 3.32Å; T423-D537 PolarHBondContact OG1-OD2 2.95Å
424W94.7Very high92.1Very high24 Ų2424.6 Ų24.69%0.09112%0.12CC..G310 helixtrans-64.4-10.1175.5-76.4106.6000115.3M385 M388 V390 Q399 W403 G421 K422 Y426 L427 P428 W466 L470M385-W424 HydrophobicContact CE-CE3 4.15Å; M385-W424 HydrophobicContact CE-CZ3 4.44Å; M385-W424 HydrophobicContact CG-CZ3 4.13Å; M388-W424 HydrophobicContact CE-CH2 3.63Å; M388-W424 HydrophobicContact CE-CZ3 4.32Å; M388-W424 HydrophobicContact SD-CH2 3.74Å; M388-W424 HydrophobicContact SD-CZ2 4.15Å; V390-W424 HydrophobicContact CG1-CD2 4.2Å; V390-W424 HydrophobicContact CG1-CE3 4.09Å; V390-W424 HydrophobicContact CG2-CD2 3.86Å; V390-W424 HydrophobicContact CG2-CE3 3.97Å; V390-W424 HydrophobicContact CG2-CH2 3.93Å; V390-W424 HydrophobicContact CG2-CZ2 3.78Å; V390-W424 HydrophobicContact CG2-CZ3 4Å; Q399-W424 VanDerWaalsContact NE2-CB 3.28Å; W403-W424 PolarHBondContact NE1-O 2.94Å; G421-W424 CarbonylContact O-C 3.59Å; G421-W424 PolarHBondContact O-N 3.11Å; K422-W424 VanDerWaalsContact C-N 3.28Å; K422-W424 PolarHBondContact O-N 3.24Å; W424-Y426 PolarHBondContact O-N 3.24Å; W424-L427 HydrophobicContact CH2-CD2 4.36Å; W424-L427 HydrophobicContact CZ3-CD2 4.4Å; W424-P428 HydrophobicContact CE3-CG 3.96Å; W424-P428 HydrophobicContact CZ3-CG 4.2Å; W424-W466 HydrophobicContact CH2-CB 4.12Å; W424-W466 HydrophobicContact CH2-CG 4.26Å; W424-W466 HydrophobicContact CZ2-CB 3.93Å; W424-W466 AromaticContact CZ2-CD1 3.81Å; W424-W466 AromaticContact CZ2-CD2 3.81Å; W424-W466 HydrophobicContact CZ2-CD2 3.81Å; W424-W466 HydrophobicContact CZ2-CE3 4.39Å; W424-W466 AromaticContact CZ2-CG 3.59Å; W424-W466 HydrophobicContact CZ2-CG 3.59Å; W424-W466 AromaticContact NE1-CE2 3.99Å; W424-L470 HydrophobicContact CH2-CD1 4.23Å; W424-L470 HydrophobicContact CZ3-CD1 4.01Å; W424-L470 HydrophobicContact CZ3-CD2 4.25Å
425S95.1Very high91.9Very high0 Ų025.3 Ų25.30%012%0.124CC..G310 helixtrans-75.7-13.9176-55.70000112.7A402 G421 K422 T423A402-S425 WeakPolarHBondContact CB-O 3.22Å; G421-S425 PolarHBondContact O-N 3.22Å; G421-S425 VanDerWaalsContact O-N 3.09Å; G421-S425 PolarHBondContact O-OG 3.49Å; K422-S425 WeakPolarHBondContact O-CA 3.27Å; K422-S425 WeakPolarHBondContact O-CB 3.33Å; K422-S425 PolarHBondContact O-N 3.19Å; K422-S425 PolarHBondContact O-OG 2.86Å; T423-S425 PolarHBondContact O-N 3.05Å; T423-S425 VanDerWaalsContact O-N 3.1Å
426Y95.4Very high91.7Very high0 Ų028.3 Ų28.30%014%0.138CC..THydrogen-bonded Turntrans-143.2-23.5178.654.5-100000114.8V412 K422 T423 W424 T429 V430 F452 A535 D537 L571V412-Y426 HydrophobicContact CG1-CD1 4.25Å; K422-Y426 WeakPolarHBondContact O-CE1 3.36Å; T423-Y426 PolarHBondContact O-N 3.5Å; W424-Y426 PolarHBondContact O-N 3.24Å; Y426-T429 PolarHBondContact O-N 3.45Å; Y426-T429 VanDerWaalsContact O-N 3.11Å; Y426-V430 HydrophobicContact CD2-CG2 4.16Å; Y426-V430 WeakPolarHBondContact O-CG2 3.35Å; Y426-V430 PolarHBondContact O-N 3.04Å; Y426-F452 HydrophobicContact CD2-CE2 4.47Å; Y426-F452 AromaticContact CE2-CE2 3.79Å; Y426-F452 HydrophobicContact CE2-CE2 3.79Å; Y426-F452 AromaticContact CE2-CZ 3.85Å; Y426-F452 HydrophobicContact CE2-CZ 3.85Å; Y426-A535 HydrophobicContact CE2-CB 4.11Å; Y426-D537 VanDerWaalsContact OH-CB 3.32Å; Y426-D537 WeakPolarHBondContact OH-CB 3.46Å; Y426-D537 PolarHBondContact OH-OD1 3.48Å; Y426-L571 HydrophobicContact CD1-CB 4.46Å; Y426-L571 HydrophobicContact CD2-CB 4.24Å; Y426-L571 HydrophobicContact CD2-CD1 3.71Å; Y426-L571 HydrophobicContact CE2-CB 4.48Å; Y426-L571 HydrophobicContact CG-CB 4.22Å; Y426-L571 HydrophobicContact CG-CD1 3.92Å; Y426-L571 HydrophobicContact CG-CG 4.48Å
427L95.8Very high91.6Very high0 Ų030.3 Ų30.30%015%0.148CC..Hα-helixtrans-49.8-41.8-179.5-176.367.8000115T423 W424 T429 V430 C431 F452 I463 W466 M467 L470T423-L427 HydrophobicContact CG2-CB 4.41Å; T423-L427 HydrophobicContact CG2-CD2 4.33Å; T423-L427 WeakPolarHBondContact O-CB 3.47Å; T423-L427 PolarHBondContact O-N 3.11Å; W424-L427 HydrophobicContact CH2-CD2 4.36Å; W424-L427 HydrophobicContact CZ3-CD2 4.4Å; L427-T429 PolarHBondContact O-N 2.89Å; L427-V430 PolarHBondContact O-N 3.43Å; L427-C431 PolarHBondContact O-N 2.89Å; L427-C431 PolarHBondContact O-SG 3.09Å; L427-F452 HydrophobicContact CD1-CE2 3.95Å; L427-I463 HydrophobicContact CD1-CG2 4.31Å; L427-W466 HydrophobicContact CD2-CB 3.77Å; L427-W466 HydrophobicContact CD2-CE3 4.02Å; L427-M467 HydrophobicContact CD1-CE 3.62Å; L427-M467 HydrophobicContact CD1-CG 3.79Å; L427-L470 HydrophobicContact CD2-CD1 4.15Å; L427-L470 HydrophobicContact CG-CD1 3.9Å
428P94.4Very high91.9Very high0 Ų027.3 Ų27.30%013%0.132CC..Hα-helixtrans-60.9-45.5178-22.434.1000112.7I381 M385 W424 C431 Q432I381-P428 HydrophobicContact CG2-CB 3.71Å; M385-P428 HydrophobicContact CE-CB 4.18Å; M385-P428 HydrophobicContact CE-CG 3.4Å; M385-P428 VanDerWaalsContact CE-CG 3.4Å; M385-P428 HydrophobicContact CG-CG 4.38Å; M385-P428 HydrophobicContact SD-CB 3.55Å; M385-P428 VanDerWaalsContact SD-CB 3.55Å; M385-P428 HydrophobicContact SD-CG 3.46Å; M385-P428 WeakPolarHBondContact SD-CG 3.2Å; W424-P428 HydrophobicContact CE3-CG 3.96Å; W424-P428 HydrophobicContact CZ3-CG 4.2Å; P428-C431 PolarHBondContact O-N 3.14Å; P428-Q432 WeakPolarHBondContact O-CB 3.34Å; P428-Q432 PolarHBondContact O-N 3.31Å
429T92.8Very high92.2Very high6 Ų625.9 Ų25.94%0.03712%0.123CC..Hα-helixtrans-67-38.4178.1-48.50000111.6V406 Y426 L427 R433V406-T429 HydrophobicContact CG1-CG2 4.02Å; Y426-T429 PolarHBondContact O-N 3.45Å; Y426-T429 VanDerWaalsContact O-N 3.11Å; L427-T429 PolarHBondContact O-N 2.89Å; T429-R433 HydrophobicContact CG2-CG 4.34Å; T429-R433 WeakPolarHBondContact O-CB 3.39Å; T429-R433 WeakPolarHBondContact O-CG 3.46Å; T429-R433 PolarHBondContact O-N 3.44Å
430V94.8Very high92.6Very high7 Ų724.7 Ų24.74%0.04211%0.111CC..Hα-helixtrans-59.3-51174.4168.90000110.7Y426 L427 S434 C450 F452 I505 L571Y426-V430 HydrophobicContact CD2-CG2 4.16Å; Y426-V430 WeakPolarHBondContact O-CG2 3.35Å; Y426-V430 PolarHBondContact O-N 3.04Å; L427-V430 PolarHBondContact O-N 3.43Å; V430-S434 WeakPolarHBondContact O-CB 3.45Å; V430-S434 PolarHBondContact O-N 3.49Å; V430-C450 HydrophobicContact CG1-CB 4.4Å; V430-C450 VanDerWaalsContact CG1-SG 3.51Å; V430-F452 HydrophobicContact CG1-CD2 4.5Å; V430-I505 HydrophobicContact CG1-CD1 4.17Å; V430-L571 HydrophobicContact CG2-CD1 3.34Å
431C95.1Very high92.7Very high0 Ų025.2 Ų25.20%011%0.111CC..Hα-helixtrans-61.7-49.3-180-63.20000111.3L427 P428 R433 H435 L470 L471L427-C431 PolarHBondContact O-N 2.89Å; L427-C431 PolarHBondContact O-SG 3.09Å; P428-C431 PolarHBondContact O-N 3.14Å; C431-R433 PolarHBondContact O-N 2.93Å; C431-H435 WeakPolarHBondContact O-CB 3.39Å; C431-H435 PolarHBondContact O-N 2.99Å; C431-L470 HydrophobicContact CB-CB 3.92Å; C431-L470 HydrophobicContact CB-CD1 4.13Å; C431-L470 VanDerWaalsContact SG-CD1 3.53Å; C431-L471 HydrophobicContact CB-CD2 3.93Å; C431-L471 HydrophobicContact CB-CG 4.08Å; C431-L471 WeakPolarHBondContact O-CD2 3.49Å
432Q93.3Very high92.5Very high15 Ų1529 Ų297%0.0714%0.135CC..Hα-helixtrans-59-52.7-178.5-165.7-175.7-63.200112.2D376 S378 I381 P428 H435 E436D376-Q432 PolarHBondContact O-NE2 2.86Å; S378-Q432 VanDerWaalsContact CB-OE1 3.24Å; S378-Q432 PolarHBondContact OG-OE1 3.32Å; I381-Q432 HydrophobicContact CD1-CB 4.48Å; I381-Q432 HydrophobicContact CG1-CB 4.06Å; I381-Q432 HydrophobicContact CG1-CG 4.19Å; P428-Q432 WeakPolarHBondContact O-CB 3.34Å; P428-Q432 PolarHBondContact O-N 3.31Å; Q432-H435 PolarHBondContact O-N 2.85Å; Q432-E436 HydrophobicContact CG-CG 4.49Å; Q432-E436 WeakPolarHBondContact CG-OE1 3.49Å; Q432-E436 PolarHBondContact NE2-OE1 3.05Å; Q432-E436 WeakPolarHBondContact O-CB 3.26Å; Q432-E436 WeakPolarHBondContact O-CG 3.46Å; Q432-E436 PolarHBondContact O-N 2.85Å
433R91.6Very high91.8Very high67 Ų6734.9 Ų34.925%0.25317%0.167SC..Hα-helixtrans-69.4-40.2-177.3-71.9178.8169.2-176.4-17112.7V406 S407 T429 C431 H435 E436 D437V406-R433 PolarHBondContact O-NH1 2.92Å; V406-R433 VanDerWaalsContact O-NH1 3.16Å; S407-R433 PolarHBondContact O-NH2 3.32Å; T429-R433 HydrophobicContact CG2-CG 4.34Å; T429-R433 WeakPolarHBondContact O-CB 3.39Å; T429-R433 WeakPolarHBondContact O-CG 3.46Å; T429-R433 PolarHBondContact O-N 3.44Å; C431-R433 PolarHBondContact O-N 2.93Å; R433-H435 PolarHBondContact O-N 2.89Å; R433-E436 PolarHBondContact O-N 2.99Å; R433-D437 WeakPolarHBondContact O-CB 2.96Å; R433-D437 PolarHBondContact O-N 2.95Å
434S93.4Very high91.2Very high4 Ų440.5 Ų40.53%0.02820%0.201CC..Hα-helixtrans-60.3-37177.4-170.30000111.4V430 L438 G504 I505V430-S434 WeakPolarHBondContact O-CB 3.45Å; V430-S434 PolarHBondContact O-N 3.49Å; S434-L438 WeakPolarHBondContact O-CB 3.36Å; S434-L438 PolarHBondContact O-N 2.97Å; S434-L438 VanDerWaalsContact O-N 3.14Å; S434-G504 WeakPolarHBondContact OG-CA 3.43Å; S434-G504 PolarHBondContact OG-O 2.88Å; S434-G504 VanDerWaalsContact OG-O 3.04Å; S434-I505 WeakPolarHBondContact OG-CG1 3.28Å
435H92.9Very high90.7Very high16 Ų1639.8 Ų39.87%0.07420%0.201CC..Hα-helixtrans-72.2-51.817417981.2000111.9C431 Q432 R433 D437 L438 Q439 L471 L474 G475 D482C431-H435 WeakPolarHBondContact O-CB 3.39Å; C431-H435 PolarHBondContact O-N 2.99Å; Q432-H435 PolarHBondContact O-N 2.85Å; R433-H435 PolarHBondContact O-N 2.89Å; H435-D437 VanDerWaalsContact C-N 3.31Å; H435-D437 PolarHBondContact O-N 2.82Å; H435-L438 WeakPolarHBondContact O-CB 3.4Å; H435-L438 PolarHBondContact O-N 3.48Å; H435-L438 VanDerWaalsContact O-N 3.09Å; H435-Q439 PolarHBondContact CE1-NE2 3.12Å; H435-Q439 WeakPolarHBondContact O-CG 3.34Å; H435-Q439 PolarHBondContact O-N 3.11Å; H435-L471 HydrophobicContact CB-CD2 3.84Å; H435-L474 HydrophobicContact CB-CD1 3.91Å; H435-G475 PolarHBondContact CE1-O 2.86Å; H435-D482 IonicContact CE1-OD1 3Å; H435-D482 IonicContact CG-OD1 3.78Å; H435-D482 IonicContact ND1-OD1 2.99Å; H435-D482 PolarHBondContact ND1-OD1 3.35Å
436E91.4Very high90.4Very high63 Ų6344.5 Ų44.529%0.29422%0.219SC..Hα-helixtrans-54.9-43.7178.6-80.3-175.5-137.400113Q432 R433 R440Q432-E436 HydrophobicContact CG-CG 4.49Å; Q432-E436 WeakPolarHBondContact CG-OE1 3.49Å; Q432-E436 PolarHBondContact NE2-OE1 3.05Å; Q432-E436 WeakPolarHBondContact O-CB 3.26Å; Q432-E436 WeakPolarHBondContact O-CG 3.46Å; Q432-E436 PolarHBondContact O-N 2.85Å; R433-E436 PolarHBondContact O-N 2.99Å; E436-R440 WeakPolarHBondContact O-CG 3.26Å; E436-R440 PolarHBondContact O-N 2.92Å; E436-R440 IonicContact OE2-CZ 2.81Å; E436-R440 IonicContact OE2-NH1 3.7Å; E436-R440 IonicContact OE2-NH2 2.73Å; E436-R440 PolarHBondContact OE2-NH2 3.28Å
437D91Very high90.3Very high41 Ų4144.5 Ų44.522%0.21922%0.219CC..Hα-helixtrans-74.1-33.2177.9-75.9-23.2000111.7R433 H435 Q439 R440 R441 T449R433-D437 WeakPolarHBondContact O-CB 2.96Å; R433-D437 PolarHBondContact O-N 2.95Å; H435-D437 VanDerWaalsContact C-N 3.31Å; H435-D437 PolarHBondContact O-N 2.82Å; D437-Q439 VanDerWaalsContact C-N 3.34Å; D437-Q439 PolarHBondContact O-N 3.38Å; D437-R440 CarbonylContact O-C 3.56Å; D437-R440 PolarHBondContact O-N 2.92Å; D437-R440 IonicContact OD1-CZ 2.65Å; D437-R440 IonicContact OD1-NH1 3.71Å; D437-R440 PolarHBondContact OD1-NH1 3.33Å; D437-R441 VanDerWaalsContact O-CG 3.24Å; D437-R441 WeakPolarHBondContact O-CG 3.41Å; D437-R441 PolarHBondContact O-N 2.79Å; D437-T449 HydrophobicContact CB-CG2 3.71Å
438L91.8Very high90.3Very high0 Ų044.5 Ų44.50%022%0.219CC..Hα-helixtrans-60-42.5171.5-177.363.7000111.6S434 H435 R440 R441 F480 P502S434-L438 WeakPolarHBondContact O-CB 3.36Å; S434-L438 PolarHBondContact O-N 2.97Å; S434-L438 VanDerWaalsContact O-N 3.14Å; H435-L438 WeakPolarHBondContact O-CB 3.4Å; H435-L438 PolarHBondContact O-N 3.48Å; H435-L438 VanDerWaalsContact O-N 3.09Å; L438-R440 PolarHBondContact O-N 3.45Å; L438-R441 PolarHBondContact O-N 2.79Å; L438-R441 VanDerWaalsContact O-N 3.11Å; L438-F480 HydrophobicContact CD1-CB 3.9Å; L438-F480 HydrophobicContact CD1-CD2 3.86Å; L438-F480 HydrophobicContact CD1-CG 4.21Å; L438-F480 HydrophobicContact CD2-CB 4.05Å; L438-F480 HydrophobicContact CG-CB 4.19Å; L438-F480 HydrophobicContact CG-CD2 4.29Å; L438-P502 HydrophobicContact CD1-CB 3.83Å
439Q89.1Confident90.3Very high65 Ų6544.6 Ų44.630%0.30422%0.219SC..THydrogen-bonded Turntrans-61.8-21.3174.4-60.9-45.9-53.900113.2H435 D437 S478H435-Q439 PolarHBondContact CE1-NE2 3.12Å; H435-Q439 WeakPolarHBondContact O-CG 3.34Å; H435-Q439 PolarHBondContact O-N 3.11Å; D437-Q439 VanDerWaalsContact C-N 3.34Å; D437-Q439 PolarHBondContact O-N 3.38Å; Q439-S478 PolarHBondContact NE2-OG 2.78Å; Q439-S478 VanDerWaalsContact OE1-CB 3.25Å; Q439-S478 PolarHBondContact OE1-OG 3.18Å
440R89.1Confident90.5Very high155 Ų15544.4 Ų44.459%0.58522%0.218SC*.THydrogen-bonded Turntrans-95.6-4.2178.6-61.5166.7-167.8131.56.5113.1E436 D437 L438E436-R440 WeakPolarHBondContact O-CG 3.26Å; E436-R440 PolarHBondContact O-N 2.92Å; E436-R440 IonicContact OE2-CZ 2.81Å; E436-R440 IonicContact OE2-NH1 3.7Å; E436-R440 IonicContact OE2-NH2 2.73Å; E436-R440 PolarHBondContact OE2-NH2 3.28Å; D437-R440 CarbonylContact O-C 3.56Å; D437-R440 PolarHBondContact O-N 2.92Å; D437-R440 IonicContact OD1-CZ 2.65Å; D437-R440 IonicContact OD1-NH1 3.71Å; D437-R440 PolarHBondContact OD1-NH1 3.33Å; L438-R440 PolarHBondContact O-N 3.45Å
441R87.9Confident90.6Very high32 Ų3244.1 Ų44.112%0.12122%0.217CC..SBendtrans-80.5140.5-177.6-65.1-156.969.2-168.50.3111.4D437 L438 R446 G447 P502 D527D437-R441 VanDerWaalsContact O-CG 3.24Å; D437-R441 WeakPolarHBondContact O-CG 3.41Å; D437-R441 PolarHBondContact O-N 2.79Å; L438-R441 PolarHBondContact O-N 2.79Å; L438-R441 VanDerWaalsContact O-N 3.11Å; R441-R446 PolarHBondContact NH1-O 3.01Å; R441-R446 PolarHBondContact NH2-O 3.21Å; R441-G447 PolarHBondContact NH1-O 3.48Å; R441-P502 HydrophobicContact CB-CB 4.2Å; R441-P502 HydrophobicContact CB-CG 4.48Å; R441-D527 IonicContact NH2-OD2 3.18Å; R441-D527 PolarHBondContact NH2-OD2 3.3Å
442P83.7Confident90.8Very high88 Ų8844.1 Ų44.157%0.57122%0.217SC*.  trans-71.8151.9170.431.7-35.2000110.8V444 G445 P502P442-V444 PolarHBondContact O-N 2.82Å; P442-V444 VanDerWaalsContact O-N 3.1Å; P442-G445 WeakPolarHBondContact O-CA 3.33Å; P442-G445 PolarHBondContact O-N 3.22Å; P442-P502 WeakPolarHBondContact O-CG 3.5Å
443D80Confident91Very high132 Ų13243.4 Ų43.471%0.70621%0.213SC*.THydrogen-bonded Turntrans-58.4-25.8179.6-56.8-9.5000114.2G445 F480D443-G445 PolarHBondContact O-N 3.42Å; D443-F480 HydrophobicContact CB-CZ 4.38Å
444V82Confident91.2Very high135 Ų13540.2 Ų40.282%0.81820%0.201SC*.THydrogen-bonded Turntrans-82.2-2.1176.8-156.20000112.1P442P442-V444 PolarHBondContact O-N 2.82Å; P442-V444 VanDerWaalsContact O-N 3.1Å
445G83.9Confident91Very high9 Ų940.6 Ų40.69%0.09320%0.204CC..  trans-67165.517200000112.3P442 D443 K501 P502P442-G445 WeakPolarHBondContact O-CA 3.33Å; P442-G445 PolarHBondContact O-N 3.22Å; D443-G445 PolarHBondContact O-N 3.42Å; G445-K501 CarbonylContact O-C 3.54Å; G445-P502 WeakPolarHBondContact O-CD 3.32Å
446R89.9Confident90.8Very high99 Ų9943.1 Ų43.137%0.37422%0.218SC..  trans-148.7159.5-177.964.8-163.7-174.6-97.3-1112.4R441 G523 D527R441-R446 PolarHBondContact NH1-O 3.01Å; R441-R446 PolarHBondContact NH2-O 3.21Å; R446-G523 PolarHBondContact NE-O 3.49Å; R446-G523 PolarHBondContact NH2-O 3.38Å; R446-D527 HydrophobicContact CG-CB 4.23Å
447G92.8Very high90.7Very high0 Ų044.1 Ų44.10%022%0.222CC..EExtended strand (participates in β ladder)trans69.8177.9178.900000114.5R441 L499 K501 V503 I525R441-G447 PolarHBondContact NH1-O 3.48Å; G447-L499 WeakPolarHBondContact CA-O 3.32Å; G447-L499 PolarHBondContact N-O 2.94Å; G447-K501 PolarHBondContact N-O 3.2Å; G447-K501 VanDerWaalsContact N-O 3.13Å; G447-V503 PolarHBondContact O-N 2.99Å; G447-V503 VanDerWaalsContact O-N 3.13Å; G447-I525 WeakPolarHBondContact CA-O 3.41Å
448P95.4Very high90.6Very high1 Ų144.6 Ų44.61%0.00624%0.237CC..EExtended strand (participates in β ladder)trans-79.1153.2-177.233.7-32.8000112C450 I451 V503 L506 F526 V531P448-C450 WeakPolarHBondContact CB-O 3.29Å; P448-I451 HydrophobicContact CG-CD1 4.41Å; P448-I451 HydrophobicContact CG-CG1 3.78Å; P448-V503 CarbonylContact C-O 3.56Å; P448-V503 VanDerWaalsContact CA-O 3.3Å; P448-V503 WeakPolarHBondContact CA-O 3.46Å; P448-L506 HydrophobicContact CB-CB 3.78Å; P448-L506 HydrophobicContact CG-CB 3.9Å; P448-L506 HydrophobicContact CG-CD2 4.39Å; P448-F526 HydrophobicContact CG-CD1 4.15Å; P448-F526 HydrophobicContact CG-CE1 3.99Å; P448-V531 HydrophobicContact CG-CG2 4.43Å; P448-V531 WeakPolarHBondContact O-CG2 3.33Å
449T94.9Very high90.5Very high2 Ų246.5 Ų46.51%0.01225%0.246CC..EExtended strand (participates in β ladder)trans-77.9-32.8165-59.90000111.3D437 V503 G504 V531 K532D437-T449 HydrophobicContact CB-CG2 3.71Å; T449-V503 PolarHBondContact N-O 3.46Å; T449-V503 PolarHBondContact OG1-O 2.89Å; T449-G504 WeakPolarHBondContact CA-O 3.2Å; T449-G504 WeakPolarHBondContact CB-O 3.31Å; T449-G504 PolarHBondContact N-O 3.36Å; T449-V531 CarbonylContact O-C 3.58Å; T449-V531 WeakPolarHBondContact O-CA 3.26Å; T449-K532 HydrophobicContact CG2-CB 4.49Å; T449-K532 HydrophobicContact CG2-CG 4.21Å; T449-K532 PolarHBondContact O-N 3.16Å
450C96.6Very high90.7Very high2 Ų243.4 Ų43.41%0.01423%0.231CC..EExtended strand (participates in β ladder)trans-132.6138.1177.6-178.10000111.7V430 P448 G504 I505 L506 C533V430-C450 HydrophobicContact CG1-CB 4.4Å; V430-C450 VanDerWaalsContact CG1-SG 3.51Å; P448-C450 WeakPolarHBondContact CB-O 3.29Å; C450-G504 PolarHBondContact N-O 3Å; C450-I505 HydrophobicContact CB-CG1 4.23Å; C450-I505 HydrophobicContact CB-CG2 4.43Å; C450-I505 CarbonylContact O-C 3.29Å; C450-I505 WeakPolarHBondContact O-CA 3.5Å; C450-L506 PolarHBondContact O-N 2.94Å; C450-C533 WeakPolarHBondContact CA-O 3.34Å; C450-C533 HydrophobicContact CB-CB 4.27Å
451I97.7Very high90.9Very high1 Ų140.4 Ų40.41%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-107.3125.6170.5-56.2173.9000108.6P448 V453 L513 F526 V531 C533 I534 A535 F561P448-I451 HydrophobicContact CG-CD1 4.41Å; P448-I451 HydrophobicContact CG-CG1 3.78Å; I451-V453 HydrophobicContact CG2-CG2 4.12Å; I451-L513 HydrophobicContact CG2-CD1 4.11Å; I451-L513 HydrophobicContact CG2-CD2 3.82Å; I451-F526 HydrophobicContact CD1-CD1 4Å; I451-F526 HydrophobicContact CD1-CE1 3.74Å; I451-F526 HydrophobicContact CG1-CE1 4.39Å; I451-V531 HydrophobicContact CD1-CG1 4.19Å; I451-V531 HydrophobicContact CD1-CG2 4.19Å; I451-V531 HydrophobicContact CG1-CG1 4.23Å; I451-V531 HydrophobicContact CG1-CG2 4.44Å; I451-C533 PolarHBondContact N-O 3.22Å; I451-I534 HydrophobicContact CB-CG1 4.3Å; I451-I534 CarbonylContact O-C 3.5Å; I451-I534 VanDerWaalsContact O-CA 3.29Å; I451-I534 WeakPolarHBondContact O-CA 3.28Å; I451-A535 PolarHBondContact O-N 2.91Å; I451-F561 HydrophobicContact CD1-CE1 4.37Å; I451-F561 HydrophobicContact CD1-CE2 4.2Å; I451-F561 HydrophobicContact CD1-CZ 3.72Å
452F98.3Very high91.2Very high0 Ų043.9 Ų43.90%024%0.24CC..EExtended strand (participates in β ladder)trans-119.4118.7178.5-155.9-64.7000109.5T423 Y426 L427 V430 I463 M467 I505 L506 L507 T508 A535 D537T423-F452 HydrophobicContact CG2-CZ 4.03Å; Y426-F452 HydrophobicContact CD2-CE2 4.47Å; Y426-F452 AromaticContact CE2-CE2 3.79Å; Y426-F452 HydrophobicContact CE2-CE2 3.79Å; Y426-F452 AromaticContact CE2-CZ 3.85Å; Y426-F452 HydrophobicContact CE2-CZ 3.85Å; L427-F452 HydrophobicContact CD1-CE2 3.95Å; V430-F452 HydrophobicContact CG1-CD2 4.5Å; F452-I463 HydrophobicContact CD1-CG2 4.46Å; F452-I463 HydrophobicContact CE1-CD1 3.78Å; F452-I463 HydrophobicContact CE1-CG2 4.05Å; F452-I463 HydrophobicContact CE2-CG2 4.48Å; F452-I463 HydrophobicContact CZ-CD1 4.24Å; F452-I463 HydrophobicContact CZ-CG2 4.06Å; F452-M467 HydrophobicContact CB-CE 4.03Å; F452-M467 HydrophobicContact CD1-CE 4.38Å; F452-M467 HydrophobicContact CD2-CE 3.25Å; F452-M467 HydrophobicContact CE2-CE 3.71Å; F452-M467 HydrophobicContact CG-CE 3.63Å; F452-M467 HydrophobicContact CZ-CE 4.45Å; F452-I505 HydrophobicContact CB-CG2 4.02Å; F452-L506 PolarHBondContact N-O 3.3Å; F452-L507 HydrophobicContact CB-CB 4.43Å; F452-L507 HydrophobicContact CB-CD1 3.89Å; F452-L507 HydrophobicContact CD1-CD1 3.55Å; F452-L507 HydrophobicContact CE1-CD1 4.42Å; F452-L507 HydrophobicContact CG-CD1 3.98Å; F452-L507 WeakPolarHBondContact O-CA 3.1Å; F452-T508 PolarHBondContact O-N 2.72Å; F452-A535 HydrophobicContact CD1-CB 4.41Å; F452-A535 HydrophobicContact CD2-CB 3.57Å; F452-A535 HydrophobicContact CE2-CB 3.75Å; F452-A535 HydrophobicContact CG-CB 3.94Å; F452-A535 HydrophobicContact CZ-CB 4.22Å; F452-D537 HydrophobicContact CE1-CB 3.7Å; F452-D537 HydrophobicContact CZ-CB 4.05Å
453V98Very high91.7Very high0 Ų039.8 Ų39.80%021%0.213CC..EExtended strand (participates in β ladder)trans-112.3132.3-179.4-1680000109I451 T508 V510 L513 A535 L536 D537 M542I451-V453 HydrophobicContact CG2-CG2 4.12Å; V453-T508 WeakPolarHBondContact CA-O 3.4Å; V453-V510 HydrophobicContact CG1-CG2 3.8Å; V453-L513 HydrophobicContact CG2-CD2 3.55Å; V453-A535 PolarHBondContact N-O 3.29Å; V453-L536 HydrophobicContact CB-CD2 3.88Å; V453-L536 HydrophobicContact CG2-CD2 3.87Å; V453-D537 PolarHBondContact O-N 3.14Å; V453-M542 HydrophobicContact CB-CE 4.06Å; V453-M542 HydrophobicContact CG1-CE 3.93Å; V453-M542 HydrophobicContact CG1-SD 4Å; V453-M542 WeakPolarHBondContact O-CE 3.49Å
454C95.3Very high92.5Very high0 Ų036.1 Ų36.10%019%0.192CC..  trans-132166.6171.673.60000111.3N456 G460 I463 W487 T508C454-N456 PolarHBondContact O-N 3.1Å; C454-N456 PolarHBondContact SG-O 2.88Å; C454-N456 VanDerWaalsContact SG-O 3.33Å; C454-G460 WeakPolarHBondContact SG-CA 3.25Å; C454-G460 PolarHBondContact SG-N 2.85Å; C454-I463 HydrophobicContact CB-CD1 4.28Å; C454-W487 WeakPolarHBondContact SG-CH2 3.45Å; C454-T508 PolarHBondContact N-O 3.16Å
455P89.5Confident93.1Very high12 Ų1238.6 Ų38.68%0.07819%0.187CC..SBendtrans-72.3-25-170.6-16.831.7000115.1Q459 D537 N538 D541 M542P455-Q459 VanDerWaalsContact CD-OE1 3.24Å; P455-D537 WeakPolarHBondContact CD-O 3.42Å; P455-N538 HydrophobicContact CG-CB 3.83Å; P455-D541 HydrophobicContact CB-CB 3.77Å; P455-D541 HydrophobicContact CG-CB 3.55Å; P455-M542 HydrophobicContact CB-CG 4.24Å; P455-M542 HydrophobicContact CG-CG 4.05Å
456N87.7Confident93.6Very high69 Ų6941 Ų4137%0.36919%0.193SC..SBendtrans-161.2162-178.159.269.8000112.4C454 G458 Q459 G460C454-N456 PolarHBondContact O-N 3.1Å; C454-N456 PolarHBondContact SG-O 2.88Å; C454-N456 VanDerWaalsContact SG-O 3.33Å; N456-G458 PolarHBondContact O-N 3.09Å; N456-G458 WeakPolarHBondContact OD1-CA 3.44Å; N456-G458 PolarHBondContact OD1-N 3.45Å; N456-G458 VanDerWaalsContact OD1-N 3.11Å; N456-Q459 PolarHBondContact O-N 3.28Å; N456-Q459 PolarHBondContact OD1-N 3.44Å; N456-G460 PolarHBondContact O-N 2.94Å
457Q90Very high93.8Very high83 Ų8336.3 Ų36.339%0.38818%0.175SC..Hα-helixtrans-57.2-31.9179-176.2-172.969.300113.6G460 K461 W487Q457-G460 PolarHBondContact O-N 2.93Å; Q457-K461 VanDerWaalsContact CD-CE 3.47Å; Q457-K461 VanDerWaalsContact CD-NZ 3.3Å; Q457-K461 HydrophobicContact CG-CD 3.96Å; Q457-K461 HydrophobicContact CG-CG 4.16Å; Q457-K461 WeakPolarHBondContact O-CB 3.45Å; Q457-K461 WeakPolarHBondContact O-CG 3.41Å; Q457-K461 PolarHBondContact O-N 3.38Å; Q457-W487 HydrophobicContact CB-CB 4.4Å; Q457-W487 HydrophobicContact CB-CD2 4.02Å; Q457-W487 HydrophobicContact CB-CE3 3.98Å; Q457-W487 HydrophobicContact CB-CG 4.21Å; Q457-W487 HydrophobicContact CG-CB 3.94Å; Q457-W487 HydrophobicContact CG-CD2 3.81Å; Q457-W487 HydrophobicContact CG-CE3 4.31Å; Q457-W487 HydrophobicContact CG-CG 3.62Å
458G89.4Confident93.8Very high51 Ų5139.2 Ų39.253%0.52620%0.195SC..Hα-helixtrans-63.8-49.7-179.900000112.3N456 G460 Q462N456-G458 PolarHBondContact O-N 3.09Å; N456-G458 WeakPolarHBondContact OD1-CA 3.44Å; N456-G458 PolarHBondContact OD1-N 3.45Å; N456-G458 VanDerWaalsContact OD1-N 3.11Å; G458-G460 VanDerWaalsContact C-N 3.32Å; G458-Q462 PolarHBondContact O-N 2.96Å
459Q89.1Confident93.6Very high40 Ų4041.8 Ų41.819%0.18721%0.211CC..Hα-helixtrans-64.1-40171.4-66.3-174.115.900111.1P455 N456 Q462 I463 N538P455-Q459 VanDerWaalsContact CD-OE1 3.24Å; N456-Q459 PolarHBondContact O-N 3.28Å; N456-Q459 PolarHBondContact OD1-N 3.44Å; Q459-Q462 WeakPolarHBondContact O-CB 3.33Å; Q459-Q462 PolarHBondContact O-N 2.84Å; Q459-I463 WeakPolarHBondContact O-CG1 3.36Å; Q459-I463 PolarHBondContact O-N 3.09Å; Q459-N538 PolarHBondContact OE1-ND2 2.89Å
460G93.6Very high93.5Very high0 Ų041.7 Ų41.70%021%0.211CC..Hα-helixtrans-54.2-53.6176.300000113.7C454 N456 Q457 G458 Q462 I463 E464 W487C454-G460 WeakPolarHBondContact SG-CA 3.25Å; C454-G460 PolarHBondContact SG-N 2.85Å; N456-G460 PolarHBondContact O-N 2.94Å; Q457-G460 PolarHBondContact O-N 2.93Å; G458-G460 VanDerWaalsContact C-N 3.32Å; G460-Q462 PolarHBondContact O-N 3.46Å; G460-I463 PolarHBondContact O-N 3.08Å; G460-I463 VanDerWaalsContact O-N 3.08Å; G460-E464 WeakPolarHBondContact O-CB 3.42Å; G460-E464 PolarHBondContact O-N 3.14Å; G460-W487 VanDerWaalsContact CA-CZ2 3.41Å
461K93.7Very high93.3Very high92 Ų9242 Ų4240%0.421%0.212SC..Hα-helixtrans-59.6-31.6177.1-76.4171.9171.8166.90113Q457 R465Q457-K461 VanDerWaalsContact CD-CE 3.47Å; Q457-K461 VanDerWaalsContact CD-NZ 3.3Å; Q457-K461 HydrophobicContact CG-CD 3.96Å; Q457-K461 HydrophobicContact CG-CG 4.16Å; Q457-K461 WeakPolarHBondContact O-CB 3.45Å; Q457-K461 WeakPolarHBondContact O-CG 3.41Å; Q457-K461 PolarHBondContact O-N 3.38Å; K461-R465 VanDerWaalsContact O-CG 3.31Å; K461-R465 WeakPolarHBondContact O-CG 3.43Å; K461-R465 PolarHBondContact O-N 2.98Å
462Q93.4Very high92.8Very high105 Ų10546.6 Ų46.649%0.49124%0.243SC..Hα-helixtrans-70.4-42.9174.1-174.4175.837.300111.6G458 Q459 G460 R465 W466G458-Q462 PolarHBondContact O-N 2.96Å; Q459-Q462 WeakPolarHBondContact O-CB 3.33Å; Q459-Q462 PolarHBondContact O-N 2.84Å; G460-Q462 PolarHBondContact O-N 3.46Å; Q462-R465 PolarHBondContact O-N 2.93Å; Q462-W466 HydrophobicContact CG-CD2 4.43Å; Q462-W466 HydrophobicContact CG-CH2 3.78Å; Q462-W466 HydrophobicContact CG-CZ2 3.57Å; Q462-W466 HydrophobicContact CG-CZ3 4.3Å; Q462-W466 PolarHBondContact O-N 2.81Å
463I95.5Very high92Very high3 Ų349.6 Ų49.62%0.01526%0.259CS..Hα-helixtrans-68.2-40.7178.1-65.6171.2000110.9T423 L427 F452 C454 Q459 G460 R465 W466 M467 L507T423-I463 HydrophobicContact CG2-CD1 4.16Å; T423-I463 HydrophobicContact CG2-CG1 4.21Å; L427-I463 HydrophobicContact CD1-CG2 4.31Å; F452-I463 HydrophobicContact CD1-CG2 4.46Å; F452-I463 HydrophobicContact CE1-CD1 3.78Å; F452-I463 HydrophobicContact CE1-CG2 4.05Å; F452-I463 HydrophobicContact CE2-CG2 4.48Å; F452-I463 HydrophobicContact CZ-CD1 4.24Å; F452-I463 HydrophobicContact CZ-CG2 4.06Å; C454-I463 HydrophobicContact CB-CD1 4.28Å; Q459-I463 WeakPolarHBondContact O-CG1 3.36Å; Q459-I463 PolarHBondContact O-N 3.09Å; G460-I463 PolarHBondContact O-N 3.08Å; G460-I463 VanDerWaalsContact O-N 3.08Å; I463-R465 PolarHBondContact O-N 3.15Å; I463-W466 HydrophobicContact CG1-CE3 4.09Å; I463-W466 HydrophobicContact CG1-CZ3 4.03Å; I463-W466 PolarHBondContact O-N 2.9Å; I463-W466 VanDerWaalsContact O-N 3.14Å; I463-M467 HydrophobicContact CG2-CE 3.67Å; I463-M467 HydrophobicContact CG2-CG 4.3Å; I463-M467 HydrophobicContact CG2-SD 4.1Å; I463-M467 WeakPolarHBondContact O-CG 3.27Å; I463-M467 PolarHBondContact O-N 3.23Å; I463-L507 HydrophobicContact CB-CD2 4.48Å; I463-L507 HydrophobicContact CG2-CD1 4.4Å; I463-L507 HydrophobicContact CG2-CD2 4.29Å
464E95.4Very high91.3Very high54 Ų5451.5 Ų51.525%0.25227%0.269SS..Hα-helixtrans-53.9-48.7173.2-178.4175-150.800111.4G460 W466 M467 S468 T485 L507G460-E464 WeakPolarHBondContact O-CB 3.42Å; G460-E464 PolarHBondContact O-N 3.14Å; E464-W466 VanDerWaalsContact C-N 3.34Å; E464-W466 PolarHBondContact O-N 3.2Å; E464-M467 PolarHBondContact O-N 2.9Å; E464-S468 PolarHBondContact O-N 3.27Å; E464-S468 PolarHBondContact O-OG 2.81Å; E464-S468 VanDerWaalsContact O-OG 3.11Å; E464-T485 HydrophobicContact CB-CG2 4.38Å; E464-T485 VanDerWaalsContact CD-CG2 3.42Å; E464-T485 HydrophobicContact CG-CG2 3.95Å; E464-T485 WeakPolarHBondContact OE1-CG2 3.29Å; E464-T485 PolarHBondContact OE1-OG1 3.06Å; E464-L507 HydrophobicContact CB-CD2 3.87Å
465R93.9Very high90.2Very high188 Ų18853.3 Ų53.371%0.70929%0.287SS*.Hα-helixtrans-57.2-45.1175.3-71169.5-174.7-174.80.8112.1K461 Q462 I463 S468 T469K461-R465 VanDerWaalsContact O-CG 3.31Å; K461-R465 WeakPolarHBondContact O-CG 3.43Å; K461-R465 PolarHBondContact O-N 2.98Å; Q462-R465 PolarHBondContact O-N 2.93Å; I463-R465 PolarHBondContact O-N 3.15Å; R465-S468 PolarHBondContact O-N 3Å; R465-T469 PolarHBondContact O-N 3.25Å; R465-T469 VanDerWaalsContact O-N 3.11Å; R465-T469 PolarHBondContact O-OG1 3.07Å; R465-T469 VanDerWaalsContact O-OG1 3.12Å
466W94.8Very high89.1Confident60 Ų6056.1 Ų56.123%0.22731%0.307CS..Hα-helixtrans-65.3-42.1177.1-62.3-29.4000112.6T423 W424 L427 Q462 I463 E464 T469 L470T423-W466 HydrophobicContact CG2-CZ3 4.27Å; W424-W466 HydrophobicContact CH2-CB 4.12Å; W424-W466 HydrophobicContact CH2-CG 4.26Å; W424-W466 HydrophobicContact CZ2-CB 3.93Å; W424-W466 AromaticContact CZ2-CD1 3.81Å; W424-W466 AromaticContact CZ2-CD2 3.81Å; W424-W466 HydrophobicContact CZ2-CD2 3.81Å; W424-W466 HydrophobicContact CZ2-CE3 4.39Å; W424-W466 AromaticContact CZ2-CG 3.59Å; W424-W466 HydrophobicContact CZ2-CG 3.59Å; W424-W466 AromaticContact NE1-CE2 3.99Å; L427-W466 HydrophobicContact CD2-CB 3.77Å; L427-W466 HydrophobicContact CD2-CE3 4.02Å; Q462-W466 HydrophobicContact CG-CD2 4.43Å; Q462-W466 HydrophobicContact CG-CH2 3.78Å; Q462-W466 HydrophobicContact CG-CZ2 3.57Å; Q462-W466 HydrophobicContact CG-CZ3 4.3Å; Q462-W466 PolarHBondContact O-N 2.81Å; I463-W466 HydrophobicContact CG1-CE3 4.09Å; I463-W466 HydrophobicContact CG1-CZ3 4.03Å; I463-W466 PolarHBondContact O-N 2.9Å; I463-W466 VanDerWaalsContact O-N 3.14Å; E464-W466 VanDerWaalsContact C-N 3.34Å; E464-W466 PolarHBondContact O-N 3.2Å; W466-T469 PolarHBondContact O-N 3.1Å; W466-L470 VanDerWaalsContact O-CG 3.28Å; W466-L470 WeakPolarHBondContact O-CG 3.18Å; W466-L470 PolarHBondContact O-N 2.75Å
467M95.4Very high87.8Confident0 Ų057.3 Ų57.30%033%0.326CS..Hα-helixtrans-58.9-50.6174.8-72.6176.8170.300110.7L427 F452 I463 E464 T469 L470 L471 V483 I505 L507L427-M467 HydrophobicContact CD1-CE 3.62Å; L427-M467 HydrophobicContact CD1-CG 3.79Å; F452-M467 HydrophobicContact CB-CE 4.03Å; F452-M467 HydrophobicContact CD1-CE 4.38Å; F452-M467 HydrophobicContact CD2-CE 3.25Å; F452-M467 HydrophobicContact CE2-CE 3.71Å; F452-M467 HydrophobicContact CG-CE 3.63Å; F452-M467 HydrophobicContact CZ-CE 4.45Å; I463-M467 HydrophobicContact CG2-CE 3.67Å; I463-M467 HydrophobicContact CG2-CG 4.3Å; I463-M467 HydrophobicContact CG2-SD 4.1Å; I463-M467 WeakPolarHBondContact O-CG 3.27Å; I463-M467 PolarHBondContact O-N 3.23Å; E464-M467 PolarHBondContact O-N 2.9Å; M467-T469 VanDerWaalsContact C-N 3.32Å; M467-T469 PolarHBondContact O-N 3.28Å; M467-L470 PolarHBondContact O-N 2.98Å; M467-L470 VanDerWaalsContact O-N 3.08Å; M467-L471 HydrophobicContact CB-CD1 4.13Å; M467-L471 WeakPolarHBondContact O-CB 3.49Å; M467-L471 WeakPolarHBondContact O-CD1 3.48Å; M467-L471 VanDerWaalsContact O-CG 3.27Å; M467-L471 WeakPolarHBondContact O-CG 3.44Å; M467-L471 PolarHBondContact O-N 3.23Å; M467-V483 HydrophobicContact CB-CG2 4.19Å; M467-V483 HydrophobicContact SD-CG1 4.42Å; M467-I505 HydrophobicContact CE-CD1 4.08Å; M467-I505 HydrophobicContact CE-CG2 3.92Å; M467-I505 HydrophobicContact CG-CD1 4.35Å; M467-I505 HydrophobicContact SD-CD1 3.95Å; M467-I505 HydrophobicContact SD-CG2 4.09Å; M467-L507 HydrophobicContact SD-CD2 4.06Å
468S92.2Very high86.6Confident60 Ų6054.6 Ų54.642%0.4232%0.317SS..Hα-helixtrans-58.5-40.1179.3-620000112.5E464 R465 C472E464-S468 PolarHBondContact O-N 3.27Å; E464-S468 PolarHBondContact O-OG 2.81Å; E464-S468 VanDerWaalsContact O-OG 3.11Å; R465-S468 PolarHBondContact O-N 3Å; S468-C472 WeakPolarHBondContact O-CB 3.27Å; S468-C472 PolarHBondContact O-N 3.47Å
469T91.4Very high85.8Confident56 Ų5656 Ų5634%0.34433%0.331SS..Hα-helixtrans-67.6-37.9174.5-52.20000113M388 R465 W466 M467M388-T469 HydrophobicContact CE-CG2 3.86Å; M388-T469 HydrophobicContact CG-CG2 3.84Å; M388-T469 HydrophobicContact SD-CG2 3.72Å; R465-T469 PolarHBondContact O-N 3.25Å; R465-T469 VanDerWaalsContact O-N 3.11Å; R465-T469 PolarHBondContact O-OG1 3.07Å; R465-T469 VanDerWaalsContact O-OG1 3.12Å; W466-T469 PolarHBondContact O-N 3.1Å; M467-T469 VanDerWaalsContact C-N 3.32Å; M467-T469 PolarHBondContact O-N 3.28Å
470L93.3Very high85.7Confident0 Ų055.6 Ų55.60%033%0.329CS..Hα-helixtrans-67.3-41.9176.7-70.5168.4000112.2I381 A384 M385 M388 W424 L427 C431 W466 M467I381-L470 HydrophobicContact CD1-CB 3.93Å; I381-L470 HydrophobicContact CD1-CD2 4.03Å; I381-L470 WeakPolarHBondContact CD1-O 3.44Å; I381-L470 HydrophobicContact CG2-CD2 4.25Å; A384-L470 HydrophobicContact CB-CD2 3.98Å; M385-L470 HydrophobicContact CG-CD2 3.89Å; M388-L470 HydrophobicContact CE-CD2 3.65Å; M388-L470 HydrophobicContact CE-CG 3.86Å; W424-L470 HydrophobicContact CH2-CD1 4.23Å; W424-L470 HydrophobicContact CZ3-CD1 4.01Å; W424-L470 HydrophobicContact CZ3-CD2 4.25Å; L427-L470 HydrophobicContact CD2-CD1 4.15Å; L427-L470 HydrophobicContact CG-CD1 3.9Å; C431-L470 HydrophobicContact CB-CB 3.92Å; C431-L470 HydrophobicContact CB-CD1 4.13Å; C431-L470 VanDerWaalsContact SG-CD1 3.53Å; W466-L470 VanDerWaalsContact O-CG 3.28Å; W466-L470 WeakPolarHBondContact O-CG 3.18Å; W466-L470 PolarHBondContact O-N 2.75Å; M467-L470 PolarHBondContact O-N 2.98Å; M467-L470 VanDerWaalsContact O-N 3.08Å
471L91.6Very high85.5Confident8 Ų859.3 Ų59.34%0.04235%0.346CS..Hα-helixtrans-80.1-37.5-174.4-66.6160.6000112C431 H435 M467 L473 L474 D482 V483 I505C431-L471 HydrophobicContact CB-CD2 3.93Å; C431-L471 HydrophobicContact CB-CG 4.08Å; C431-L471 WeakPolarHBondContact O-CD2 3.49Å; H435-L471 HydrophobicContact CB-CD2 3.84Å; M467-L471 HydrophobicContact CB-CD1 4.13Å; M467-L471 WeakPolarHBondContact O-CB 3.49Å; M467-L471 WeakPolarHBondContact O-CD1 3.48Å; M467-L471 VanDerWaalsContact O-CG 3.27Å; M467-L471 WeakPolarHBondContact O-CG 3.44Å; M467-L471 PolarHBondContact O-N 3.23Å; L471-L473 PolarHBondContact O-N 3.16Å; L471-L473 VanDerWaalsContact O-N 3.16Å; L471-L474 HydrophobicContact CD2-CD1 4.37Å; L471-L474 WeakPolarHBondContact O-CB 3.24Å; L471-L474 PolarHBondContact O-N 2.99Å; L471-D482 HydrophobicContact CD1-CB 4.16Å; L471-V483 HydrophobicContact CD1-CG2 3.36Å; L471-I505 HydrophobicContact CD1-CD1 4.23Å
472C87.1Confident85.4Confident97 Ų9756.3 Ų56.366%0.65533%0.334SS*.Hα-helixtrans-53.9-38.4179.4179.50000113.1S468 L474 G475S468-C472 WeakPolarHBondContact O-CB 3.27Å; S468-C472 PolarHBondContact O-N 3.47Å; C472-L474 VanDerWaalsContact C-N 3.33Å; C472-L474 PolarHBondContact O-N 2.79Å; C472-G475 PolarHBondContact O-N 3.03Å
473L81.7Confident85.5Confident64 Ų6452.6 Ų52.634%0.33532%0.319SS..THydrogen-bonded Turntrans-75.4-16.7178.4-60.9-162.8000114.5I380 A384 L471 G475I380-L473 VanDerWaalsContact CG2-C 3.47Å; I380-L473 HydrophobicContact CG2-CB 3.62Å; I380-L473 WeakPolarHBondContact CG2-O 3.44Å; A384-L473 HydrophobicContact CB-CD1 3.77Å; A384-L473 HydrophobicContact CB-CG 4.28Å; L471-L473 PolarHBondContact O-N 3.16Å; L471-L473 VanDerWaalsContact O-N 3.16Å; L473-G475 VanDerWaalsContact C-N 3.31Å
474L83.6Confident85.5Confident40 Ų4052.4 Ų52.421%0.20932%0.318CS..THydrogen-bonded Turntrans-77.8-19.5174-67.3171.1000112I380 I381 H435 L471 C472I380-L474 HydrophobicContact CB-CD2 4.08Å; I380-L474 HydrophobicContact CD1-CD2 4.3Å; I380-L474 HydrophobicContact CG2-CD2 3.83Å; I380-L474 HydrophobicContact CG2-CG 4.29Å; I381-L474 HydrophobicContact CD1-CD1 4.03Å; I381-L474 HydrophobicContact CD1-CG 4.37Å; I381-L474 HydrophobicContact CG1-CD1 4.37Å; I381-L474 HydrophobicContact CG1-CD2 4.28Å; H435-L474 HydrophobicContact CB-CD1 3.91Å; L471-L474 HydrophobicContact CD2-CD1 4.37Å; L471-L474 WeakPolarHBondContact O-CB 3.24Å; L471-L474 PolarHBondContact O-N 2.99Å; C472-L474 VanDerWaalsContact C-N 3.33Å; C472-L474 PolarHBondContact O-N 2.79Å
475G72.8Confident85.5Confident37 Ų3751 Ų5138%0.38131%0.313SS..  trans79.2-179.7-171.500000112.1H435 C472 L473H435-G475 PolarHBondContact CE1-O 2.86Å; C472-G475 PolarHBondContact O-N 3.03Å; L473-G475 VanDerWaalsContact C-N 3.31Å
476S65.6Low85.6Confident72 Ų7242.1 Ų42.150%0.50328%0.28SS..  trans-139.6106.3173.5-167.50000109.1D482S476-D482 PolarHBondContact OG-OD2 2.86Å
477A60.7Low85.5Confident93 Ų9341.2 Ų41.277%0.76928%0.276SS*.  trans-100.1-18.7179.800000112.9
478S64.9Low85.1Confident27 Ų2744.3 Ų44.319%0.18929%0.293CS..SBendtrans-88.2-7.5-172.653.90000115.4Q439 F480Q439-S478 PolarHBondContact NE2-OG 2.78Å; Q439-S478 VanDerWaalsContact OE1-CB 3.25Å; Q439-S478 PolarHBondContact OE1-OG 3.18Å; S478-F480 WeakPolarHBondContact O-CD2 3.36Å; S478-F480 PolarHBondContact O-N 2.92Å
479G72.9Confident84.8Confident80 Ų8046.7 Ų46.783%0.82530%0.296SS*.  trans63.92.6-176.800000115.6
480F85.6Confident84.5Confident32 Ų3249.4 Ų49.414%0.1431%0.312CS..SBendtrans-91.2159.9175.8-59.6-47.2000111.9L438 D443 S478 D482 P502L438-F480 HydrophobicContact CD1-CB 3.9Å; L438-F480 HydrophobicContact CD1-CD2 3.86Å; L438-F480 HydrophobicContact CD1-CG 4.21Å; L438-F480 HydrophobicContact CD2-CB 4.05Å; L438-F480 HydrophobicContact CG-CB 4.19Å; L438-F480 HydrophobicContact CG-CD2 4.29Å; D443-F480 HydrophobicContact CB-CZ 4.38Å; S478-F480 WeakPolarHBondContact O-CD2 3.36Å; S478-F480 PolarHBondContact O-N 2.92Å; F480-D482 PolarHBondContact O-N 3.42Å; F480-P502 HydrophobicContact CD1-CB 4.36Å; F480-P502 HydrophobicContact CD1-CG 4.33Å; F480-P502 HydrophobicContact CD2-CB 3.91Å; F480-P502 HydrophobicContact CD2-CG 4.23Å; F480-P502 HydrophobicContact CE1-CG 4.02Å; F480-P502 HydrophobicContact CE2-CB 4.08Å; F480-P502 HydrophobicContact CE2-CG 3.92Å; F480-P502 HydrophobicContact CG-CB 4.1Å; F480-P502 HydrophobicContact CG-CG 4.47Å; F480-P502 HydrophobicContact CZ-CB 4.42Å; F480-P502 HydrophobicContact CZ-CG 3.84Å
481E90.8Very high84.2Confident77 Ų7753.6 Ų53.636%0.3633%0.332SS..EExtended strand (participates in β ladder)trans-76.2117.1178-57-170.1-108.500110.9V483 V484 R498 G504E481-V483 VanDerWaalsContact C-N 3.32Å; E481-V483 PolarHBondContact O-N 2.99Å; E481-V484 HydrophobicContact CB-CG2 4.03Å; E481-R498 WeakPolarHBondContact OE1-CG 3.48Å; E481-R498 IonicContact OE1-CZ 3.83Å; E481-R498 IonicContact OE1-NE 3.27Å; E481-R498 PolarHBondContact OE1-NE 3.42Å; E481-R498 IonicContact OE1-NH2 2.67Å; E481-R498 IonicContact OE2-CZ 2.69Å; E481-R498 VanDerWaalsContact OE2-CZ 3.28Å; E481-R498 IonicContact OE2-NE 2.68Å; E481-R498 PolarHBondContact OE2-NE 3.4Å; E481-R498 VanDerWaalsContact OE2-NE 3.13Å; E481-R498 IonicContact OE2-NH2 3Å; E481-R498 PolarHBondContact OE2-NH2 2.9Å; E481-G504 PolarHBondContact O-N 3.21Å
482D91.2Very high84.1Confident29 Ų2954.3 Ų54.316%0.15534%0.335CS..EExtended strand (participates in β ladder)trans-66.5-31.8176.3-69.8-80.2000112.6H435 L471 S476 F480 G504 I505H435-D482 IonicContact CE1-OD1 3Å; H435-D482 IonicContact CG-OD1 3.78Å; H435-D482 IonicContact ND1-OD1 2.99Å; H435-D482 PolarHBondContact ND1-OD1 3.35Å; L471-D482 HydrophobicContact CD1-CB 4.16Å; S476-D482 PolarHBondContact OG-OD2 2.86Å; F480-D482 PolarHBondContact O-N 3.42Å; D482-G504 CarbonylContact O-C 3.6Å; D482-G504 WeakPolarHBondContact O-CA 3.33Å; D482-I505 PolarHBondContact O-N 3.39Å
483V94.8Very high84.2Confident27 Ų2754.8 Ų54.816%0.16434%0.335CS..EExtended strand (participates in β ladder)trans-139.7129.3176.8-171.10000111.1M467 L471 E481 T485 I505M467-V483 HydrophobicContact CB-CG2 4.19Å; M467-V483 HydrophobicContact SD-CG1 4.42Å; L471-V483 HydrophobicContact CD1-CG2 3.36Å; E481-V483 VanDerWaalsContact C-N 3.32Å; E481-V483 PolarHBondContact O-N 2.99Å; V483-T485 HydrophobicContact CG1-CG2 4.25Å; V483-I505 CarbonylContact C-O 3.57Å; V483-I505 WeakPolarHBondContact CA-O 3.35Å; V483-I505 HydrophobicContact CG2-CB 4.47Å
484V95.4Very high84.7Confident0 Ų054.5 Ų54.50%033%0.334CS..EExtended strand (participates in β ladder)trans-115.3121.1167.9171.90000108.4E481 I495 R498 V503 I505 L506 L507E481-V484 HydrophobicContact CB-CG2 4.03Å; V484-I495 HydrophobicContact CG1-CD1 3.89Å; V484-I495 HydrophobicContact CG1-CG2 4.36Å; V484-R498 HydrophobicContact CG2-CB 4.49Å; V484-V503 HydrophobicContact CB-CG1 4Å; V484-V503 HydrophobicContact CG2-CB 4.41Å; V484-V503 HydrophobicContact CG2-CG1 3.55Å; V484-V503 HydrophobicContact CG2-CG2 3.91Å; V484-I505 PolarHBondContact N-O 3.43Å; V484-L506 HydrophobicContact CG1-CD1 4.29Å; V484-L506 WeakPolarHBondContact O-CA 3.41Å; V484-L507 PolarHBondContact O-N 3.2Å
485T96.3Very high85.2Confident25 Ų2552.6 Ų52.615%0.15332%0.324CS..EExtended strand (participates in β ladder)trans-99.7140.3174.945.40000112.3E464 V483 W487 I495 L507E464-T485 HydrophobicContact CB-CG2 4.38Å; E464-T485 VanDerWaalsContact CD-CG2 3.42Å; E464-T485 HydrophobicContact CG-CG2 3.95Å; E464-T485 WeakPolarHBondContact OE1-CG2 3.29Å; E464-T485 PolarHBondContact OE1-OG1 3.06Å; V483-T485 HydrophobicContact CG1-CG2 4.25Å; T485-W487 HydrophobicContact CG2-CZ2 4.45Å; T485-I495 WeakPolarHBondContact O-CD1 3.42Å; T485-L507 WeakPolarHBondContact CA-O 3.32Å; T485-L507 HydrophobicContact CG2-CB 4.01Å; T485-L507 HydrophobicContact CG2-CD2 3.89Å; T485-L507 HydrophobicContact CG2-CG 4.13Å
486H95.3Very high86.1Confident0 Ų052.3 Ų52.30%032%0.315CS..EExtended strand (participates in β ladder)trans-133.6111.6176.9179.839.1000110.4D488 I495 L506 L507 T508 L512H486-D488 PolarHBondContact CE1-O 2.63Å; H486-D488 PolarHBondContact ND1-O 3.06Å; H486-I495 HydrophobicContact CB-CD1 4.27Å; H486-I495 HydrophobicContact CB-CG1 4.01Å; H486-I495 HydrophobicContact CB-CG2 4.14Å; H486-L506 HydrophobicContact CB-CD1 4.46Å; H486-L507 PolarHBondContact N-O 3.08Å; H486-T508 WeakPolarHBondContact O-CA 3.42Å; H486-T508 WeakPolarHBondContact O-CB 3.39Å; H486-T508 PolarHBondContact O-OG1 2.69Å; H486-L512 VanDerWaalsContact O-CD1 3.23Å; H486-L512 WeakPolarHBondContact O-CD1 3.34Å
487W92.7Very high87.3Confident41 Ų4155.4 Ų55.416%0.15532%0.315CS..  trans-129.9-6.3-174.9-57.6122000115C454 Q457 G460 T485 L507 T508 L512C454-W487 WeakPolarHBondContact SG-CH2 3.45Å; Q457-W487 HydrophobicContact CB-CB 4.4Å; Q457-W487 HydrophobicContact CB-CD2 4.02Å; Q457-W487 HydrophobicContact CB-CE3 3.98Å; Q457-W487 HydrophobicContact CB-CG 4.21Å; Q457-W487 HydrophobicContact CG-CB 3.94Å; Q457-W487 HydrophobicContact CG-CD2 3.81Å; Q457-W487 HydrophobicContact CG-CE3 4.31Å; Q457-W487 HydrophobicContact CG-CG 3.62Å; G460-W487 VanDerWaalsContact CA-CZ2 3.41Å; T485-W487 HydrophobicContact CG2-CZ2 4.45Å; W487-L507 HydrophobicContact CH2-CD1 4.21Å; W487-L507 HydrophobicContact CH2-CG 4.03Å; W487-L507 HydrophobicContact CZ2-CD1 4.39Å; W487-L507 HydrophobicContact CZ2-CD2 4.15Å; W487-L507 HydrophobicContact CZ2-CG 3.76Å; W487-T508 VanDerWaalsContact CZ3-C 3.45Å; W487-L512 VanDerWaalsContact C-CD1 3.43Å; W487-L512 VanDerWaalsContact CA-CD1 3.41Å
488D88.2Confident88.8Confident66 Ų6654 Ų5435%0.35329%0.29SS..  trans-135131.2-177.4-178.93.3000110.6H486 T490 Q491H486-D488 PolarHBondContact CE1-O 2.63Å; H486-D488 PolarHBondContact ND1-O 3.06Å; D488-T490 VanDerWaalsContact C-N 3.25Å; D488-T490 PolarHBondContact O-N 2.81Å; D488-T490 WeakPolarHBondContact OD1-CG2 3.34Å; D488-T490 PolarHBondContact OD1-N 3.5Å; D488-T490 PolarHBondContact OD1-OG1 3.43Å; D488-T490 PolarHBondContact OD2-OG1 2.77Å; D488-Q491 HydrophobicContact CB-CG 4.13Å; D488-Q491 PolarHBondContact O-N 3.2Å
489K84.4Confident90.2Very high110 Ų11052.7 Ų52.748%0.47828%0.281SS..G310 helixtrans-64-28.2178.5-63.9-175.3174.4165.80112.5Q491 L492 D511 L512K489-Q491 PolarHBondContact O-N 3.16Å; K489-L492 PolarHBondContact O-N 2.76Å; K489-D511 WeakPolarHBondContact CE-OD2 3.31Å; K489-D511 IonicContact NZ-OD2 3.64Å; K489-D511 PolarHBondContact NZ-OD2 3.26Å; K489-L512 HydrophobicContact CB-CD2 4.46Å; K489-L512 HydrophobicContact CD-CD2 4.27Å; K489-L512 HydrophobicContact CG-CD2 3.39Å
490T85.6Confident91.1Very high113 Ų11355.2 Ų55.269%0.69327%0.269SS*.G310 helixtrans-64.6-29.4176.373.80000112.1D488 L492D488-T490 VanDerWaalsContact C-N 3.25Å; D488-T490 PolarHBondContact O-N 2.81Å; D488-T490 WeakPolarHBondContact OD1-CG2 3.34Å; D488-T490 PolarHBondContact OD1-N 3.5Å; D488-T490 PolarHBondContact OD1-OG1 3.43Å; D488-T490 PolarHBondContact OD2-OG1 2.77Å; T490-L492 VanDerWaalsContact C-N 3.28Å; T490-L492 PolarHBondContact O-N 3.08Å
491Q88.1Confident91.3Very high88 Ų8860.4 Ų60.441%0.41129%0.292SS..G310 helixtrans-83.73.6-176-60.5-179.8-6.900113.7D488 K489 V493 D494 I495D488-Q491 HydrophobicContact CB-CG 4.13Å; D488-Q491 PolarHBondContact O-N 3.2Å; K489-Q491 PolarHBondContact O-N 3.16Å; Q491-V493 VanDerWaalsContact C-N 3.27Å; Q491-V493 PolarHBondContact O-N 3.32Å; Q491-V493 VanDerWaalsContact O-N 3.15Å; Q491-D494 WeakPolarHBondContact O-CA 3.38Å; Q491-D494 WeakPolarHBondContact O-CB 3.43Å; Q491-D494 PolarHBondContact O-N 3.01Å; Q491-I495 HydrophobicContact CB-CG1 4.48Å; Q491-I495 PolarHBondContact O-N 3.5Å
492L88.1Confident91.4Very high22 Ų2256.8 Ų56.812%0.11528%0.275CS..Hα-helixtrans-49.2-46.3-175.9178.470.1000112.8K489 T490 D494 I495 V496 Q515 L516K489-L492 PolarHBondContact O-N 2.76Å; T490-L492 VanDerWaalsContact C-N 3.28Å; T490-L492 PolarHBondContact O-N 3.08Å; L492-D494 VanDerWaalsContact C-N 3.28Å; L492-D494 PolarHBondContact O-N 3.45Å; L492-I495 PolarHBondContact O-N 2.86Å; L492-V496 HydrophobicContact CD1-CG2 4.06Å; L492-V496 HydrophobicContact CG-CG2 4.23Å; L492-V496 VanDerWaalsContact O-CB 3.31Å; L492-V496 WeakPolarHBondContact O-CB 3.33Å; L492-V496 WeakPolarHBondContact O-CG2 3.48Å; L492-V496 PolarHBondContact O-N 3.34Å; L492-Q515 HydrophobicContact CD1-CG 4.11Å; L492-Q515 HydrophobicContact CD2-CG 4.27Å; L492-L516 HydrophobicContact CD1-CD2 3.64Å; L492-L516 HydrophobicContact CD1-CG 4.3Å
493V89.1Confident91.6Very high108 Ų10855.4 Ų55.466%0.65527%0.268SS*.Hα-helixtrans-64.3-33.8-178.3-178.80000111.9Q491 R497Q491-V493 VanDerWaalsContact C-N 3.27Å; Q491-V493 PolarHBondContact O-N 3.32Å; Q491-V493 VanDerWaalsContact O-N 3.15Å; V493-R497 WeakPolarHBondContact O-CB 3.43Å; V493-R497 PolarHBondContact O-N 3.49Å
494D92.2Very high91.6Very high57 Ų5754.1 Ų54.131%0.30526%0.26SS..Hα-helixtrans-70-50.5176.7-17373.7000111.7Q491 L492 V496 R497 R498Q491-D494 WeakPolarHBondContact O-CA 3.38Å; Q491-D494 WeakPolarHBondContact O-CB 3.43Å; Q491-D494 PolarHBondContact O-N 3.01Å; L492-D494 VanDerWaalsContact C-N 3.28Å; L492-D494 PolarHBondContact O-N 3.45Å; D494-V496 PolarHBondContact O-N 2.86Å; D494-R497 WeakPolarHBondContact O-CA 3.48Å; D494-R497 VanDerWaalsContact O-CB 3.3Å; D494-R497 WeakPolarHBondContact O-CB 3.38Å; D494-R497 PolarHBondContact O-N 3.19Å; D494-R497 IonicContact OD1-CZ 3.72Å; D494-R497 IonicContact OD1-NH1 3.86Å; D494-R497 PolarHBondContact OD1-NH1 3.09Å; D494-R497 IonicContact OD1-NH2 2.83Å; D494-R498 PolarHBondContact O-N 3.42Å; D494-R498 VanDerWaalsContact OD2-CD 3.23Å; D494-R498 WeakPolarHBondContact OD2-CD 3.39Å; D494-R498 IonicContact OD2-NH1 2.68Å
495I93.8Very high91.6Very high0 Ų054.1 Ų54.10%026%0.26CS..Hα-helixtrans-62.2-43.5179.1-59.2-57.2000110.9V484 T485 H486 Q491 L492 R497 R498 L499 L516V484-I495 HydrophobicContact CG1-CD1 3.89Å; V484-I495 HydrophobicContact CG1-CG2 4.36Å; T485-I495 WeakPolarHBondContact O-CD1 3.42Å; H486-I495 HydrophobicContact CB-CD1 4.27Å; H486-I495 HydrophobicContact CB-CG1 4.01Å; H486-I495 HydrophobicContact CB-CG2 4.14Å; Q491-I495 HydrophobicContact CB-CG1 4.48Å; Q491-I495 PolarHBondContact O-N 3.5Å; L492-I495 PolarHBondContact O-N 2.86Å; I495-R497 PolarHBondContact O-N 3.03Å; I495-R498 PolarHBondContact O-N 2.93Å; I495-L499 HydrophobicContact CG2-CD1 3.88Å; I495-L499 HydrophobicContact CG2-CG 4.23Å; I495-L499 WeakPolarHBondContact O-CB 3.37Å; I495-L499 VanDerWaalsContact O-CG 3.31Å; I495-L499 WeakPolarHBondContact O-CG 3.35Å; I495-L499 PolarHBondContact O-N 3.03Å; I495-L516 HydrophobicContact CG2-CD1 4.13Å; I495-L516 HydrophobicContact CG2-CD2 4.05Å
496V92.3Very high91.7Very high31 Ų3153 Ų5319%0.18825%0.253CS..Hα-helixtrans-57.8-36.7173166.10000111.5L492 D494 K500 L516 I525L492-V496 HydrophobicContact CD1-CG2 4.06Å; L492-V496 HydrophobicContact CG-CG2 4.23Å; L492-V496 VanDerWaalsContact O-CB 3.31Å; L492-V496 WeakPolarHBondContact O-CB 3.33Å; L492-V496 WeakPolarHBondContact O-CG2 3.48Å; L492-V496 PolarHBondContact O-N 3.34Å; D494-V496 PolarHBondContact O-N 2.86Å; V496-K500 WeakPolarHBondContact O-CG 3.33Å; V496-K500 PolarHBondContact O-N 3.3Å; V496-L516 HydrophobicContact CG2-CD2 3.9Å; V496-I525 HydrophobicContact CG1-CG2 4.08Å; V496-I525 HydrophobicContact CG2-CD1 4.3Å
497R91.1Very high91.9Very high137 Ų13753 Ų5352%0.51725%0.253SS..Hα-helixtrans-69.7-41.4177-159.3-168.2-41.297.32112.1V493 D494 I495 K500V493-R497 WeakPolarHBondContact O-CB 3.43Å; V493-R497 PolarHBondContact O-N 3.49Å; D494-R497 WeakPolarHBondContact O-CA 3.48Å; D494-R497 VanDerWaalsContact O-CB 3.3Å; D494-R497 WeakPolarHBondContact O-CB 3.38Å; D494-R497 PolarHBondContact O-N 3.19Å; D494-R497 IonicContact OD1-CZ 3.72Å; D494-R497 IonicContact OD1-NH1 3.86Å; D494-R497 PolarHBondContact OD1-NH1 3.09Å; D494-R497 IonicContact OD1-NH2 2.83Å; I495-R497 PolarHBondContact O-N 3.03Å; R497-K500 WeakPolarHBondContact O-CB 3.29Å; R497-K500 PolarHBondContact O-N 3.04Å
498R92.9Very high92.1Very high64 Ų6451 Ų5124%0.24225%0.246CC..Hα-helixtrans-65.8-44.2177.7-69.3164.871-169.61.3111.2E481 V484 D494 I495 K500 K501E481-R498 WeakPolarHBondContact OE1-CG 3.48Å; E481-R498 IonicContact OE1-CZ 3.83Å; E481-R498 IonicContact OE1-NE 3.27Å; E481-R498 PolarHBondContact OE1-NE 3.42Å; E481-R498 IonicContact OE1-NH2 2.67Å; E481-R498 IonicContact OE2-CZ 2.69Å; E481-R498 VanDerWaalsContact OE2-CZ 3.28Å; E481-R498 IonicContact OE2-NE 2.68Å; E481-R498 PolarHBondContact OE2-NE 3.4Å; E481-R498 VanDerWaalsContact OE2-NE 3.13Å; E481-R498 IonicContact OE2-NH2 3Å; E481-R498 PolarHBondContact OE2-NH2 2.9Å; V484-R498 HydrophobicContact CG2-CB 4.49Å; D494-R498 PolarHBondContact O-N 3.42Å; D494-R498 VanDerWaalsContact OD2-CD 3.23Å; D494-R498 WeakPolarHBondContact OD2-CD 3.39Å; D494-R498 IonicContact OD2-NH1 2.68Å; I495-R498 PolarHBondContact O-N 2.93Å; R498-K500 PolarHBondContact O-N 2.93Å; R498-K500 VanDerWaalsContact O-N 3.13Å; R498-K501 PolarHBondContact O-N 3.47Å; R498-K501 VanDerWaalsContact O-N 3.12Å
499L93.4Very high92.4Very high0 Ų048.4 Ų48.40%023%0.233CC..THydrogen-bonded Turntrans-68.8-5.6177-63.7178.8000115.1G447 I495 K501 V503 L506 L516 I525 F526G447-L499 WeakPolarHBondContact CA-O 3.32Å; G447-L499 PolarHBondContact N-O 2.94Å; I495-L499 HydrophobicContact CG2-CD1 3.88Å; I495-L499 HydrophobicContact CG2-CG 4.23Å; I495-L499 WeakPolarHBondContact O-CB 3.37Å; I495-L499 VanDerWaalsContact O-CG 3.31Å; I495-L499 WeakPolarHBondContact O-CG 3.35Å; I495-L499 PolarHBondContact O-N 3.03Å; L499-K501 PolarHBondContact O-N 3.18Å; L499-V503 HydrophobicContact CD2-CB 4.41Å; L499-V503 HydrophobicContact CD2-CG2 4.23Å; L499-L506 HydrophobicContact CD1-CD1 4.43Å; L499-L506 HydrophobicContact CD1-CD2 4.09Å; L499-L506 HydrophobicContact CD2-CD1 4.48Å; L499-L516 HydrophobicContact CD1-CD1 4.16Å; L499-L516 HydrophobicContact CD1-CD2 4.3Å; L499-I525 HydrophobicContact CB-CB 3.99Å; L499-I525 HydrophobicContact CB-CG2 4.11Å; L499-F526 HydrophobicContact CD1-CZ 4.49Å
500K91.2Very high92.9Very high132 Ų13243.3 Ų43.357%0.57421%0.211SC*.THydrogen-bonded Turntrans-71.9-15.9168.3-75.4177-177.3-173.60113.2V496 R497 R498 I525V496-K500 WeakPolarHBondContact O-CG 3.33Å; V496-K500 PolarHBondContact O-N 3.3Å; R497-K500 WeakPolarHBondContact O-CB 3.29Å; R497-K500 PolarHBondContact O-N 3.04Å; R498-K500 PolarHBondContact O-N 2.93Å; R498-K500 VanDerWaalsContact O-N 3.13Å; K500-I525 HydrophobicContact CG-CG2 4.36Å
501K91.1Very high93.1Very high141 Ų14139.5 Ų39.561%0.61319%0.186SC*.SBendtrans-102.6168.9173.1-68.6-173.5176.2-173.50110.6G445 G447 R498 L499G445-K501 CarbonylContact O-C 3.54Å; G447-K501 PolarHBondContact N-O 3.2Å; G447-K501 VanDerWaalsContact N-O 3.13Å; R498-K501 PolarHBondContact O-N 3.47Å; R498-K501 VanDerWaalsContact O-N 3.12Å; L499-K501 PolarHBondContact O-N 3.18Å
502P93.3Very high93.4Very high1 Ų135.5 Ų35.51%0.00617%0.168CC..EExtended strand (participates in β ladder)trans-60.8135.9166.9-18.332.6000110.2L438 R441 P442 G445 F480L438-P502 HydrophobicContact CD1-CB 3.83Å; R441-P502 HydrophobicContact CB-CB 4.2Å; R441-P502 HydrophobicContact CB-CG 4.48Å; P442-P502 WeakPolarHBondContact O-CG 3.5Å; G445-P502 WeakPolarHBondContact O-CD 3.32Å; F480-P502 HydrophobicContact CD1-CB 4.36Å; F480-P502 HydrophobicContact CD1-CG 4.33Å; F480-P502 HydrophobicContact CD2-CB 3.91Å; F480-P502 HydrophobicContact CD2-CG 4.23Å; F480-P502 HydrophobicContact CE1-CG 4.02Å; F480-P502 HydrophobicContact CE2-CB 4.08Å; F480-P502 HydrophobicContact CE2-CG 3.92Å; F480-P502 HydrophobicContact CG-CB 4.1Å; F480-P502 HydrophobicContact CG-CG 4.47Å; F480-P502 HydrophobicContact CZ-CB 4.42Å; F480-P502 HydrophobicContact CZ-CG 3.84Å
503V94.1Very high93.7Very high1 Ų134.5 Ų34.51%0.00616%0.162CC..EExtended strand (participates in β ladder)trans-133.1148.3175.4168.80000108.2G447 P448 T449 V484 L499G447-V503 PolarHBondContact O-N 2.99Å; G447-V503 VanDerWaalsContact O-N 3.13Å; P448-V503 CarbonylContact C-O 3.56Å; P448-V503 VanDerWaalsContact CA-O 3.3Å; P448-V503 WeakPolarHBondContact CA-O 3.46Å; T449-V503 PolarHBondContact N-O 3.46Å; T449-V503 PolarHBondContact OG1-O 2.89Å; V484-V503 HydrophobicContact CB-CG1 4Å; V484-V503 HydrophobicContact CG2-CB 4.41Å; V484-V503 HydrophobicContact CG2-CG1 3.55Å; V484-V503 HydrophobicContact CG2-CG2 3.91Å; L499-V503 HydrophobicContact CD2-CB 4.41Å; L499-V503 HydrophobicContact CD2-CG2 4.23Å
504G94.4Very high93.9Very high0 Ų029.9 Ų29.90%013%0.134CC..EExtended strand (participates in β ladder)trans-67.9-85.7171.600000110.9S434 T449 C450 E481 D482S434-G504 WeakPolarHBondContact OG-CA 3.43Å; S434-G504 PolarHBondContact OG-O 2.88Å; S434-G504 VanDerWaalsContact OG-O 3.04Å; T449-G504 WeakPolarHBondContact CA-O 3.2Å; T449-G504 WeakPolarHBondContact CB-O 3.31Å; T449-G504 PolarHBondContact N-O 3.36Å; C450-G504 PolarHBondContact N-O 3Å; E481-G504 PolarHBondContact O-N 3.21Å; D482-G504 CarbonylContact O-C 3.6Å; D482-G504 WeakPolarHBondContact O-CA 3.33Å
505I97.2Very high93.8Very high0 Ų029.5 Ų29.50%013%0.13CC..EExtended strand (participates in β ladder)trans-111127-173.7-50177.2000110.4V430 S434 C450 F452 M467 L471 D482 V483 V484V430-I505 HydrophobicContact CG1-CD1 4.17Å; S434-I505 WeakPolarHBondContact OG-CG1 3.28Å; C450-I505 HydrophobicContact CB-CG1 4.23Å; C450-I505 HydrophobicContact CB-CG2 4.43Å; C450-I505 CarbonylContact O-C 3.29Å; C450-I505 WeakPolarHBondContact O-CA 3.5Å; F452-I505 HydrophobicContact CB-CG2 4.02Å; M467-I505 HydrophobicContact CE-CD1 4.08Å; M467-I505 HydrophobicContact CE-CG2 3.92Å; M467-I505 HydrophobicContact CG-CD1 4.35Å; M467-I505 HydrophobicContact SD-CD1 3.95Å; M467-I505 HydrophobicContact SD-CG2 4.09Å; L471-I505 HydrophobicContact CD1-CD1 4.23Å; D482-I505 PolarHBondContact O-N 3.39Å; V483-I505 CarbonylContact C-O 3.57Å; V483-I505 WeakPolarHBondContact CA-O 3.35Å; V483-I505 HydrophobicContact CG2-CB 4.47Å; V484-I505 PolarHBondContact N-O 3.43Å
506L97.6Very high93.7Very high0 Ų029.5 Ų29.50%013%0.13CC..EExtended strand (participates in β ladder)trans-92.1116.116217263.3000109P448 C450 F452 V484 H486 L499 T508 L513 L516 F526P448-L506 HydrophobicContact CB-CB 3.78Å; P448-L506 HydrophobicContact CG-CB 3.9Å; P448-L506 HydrophobicContact CG-CD2 4.39Å; C450-L506 PolarHBondContact O-N 2.94Å; F452-L506 PolarHBondContact N-O 3.3Å; V484-L506 HydrophobicContact CG1-CD1 4.29Å; V484-L506 WeakPolarHBondContact O-CA 3.41Å; H486-L506 HydrophobicContact CB-CD1 4.46Å; L499-L506 HydrophobicContact CD1-CD1 4.43Å; L499-L506 HydrophobicContact CD1-CD2 4.09Å; L499-L506 HydrophobicContact CD2-CD1 4.48Å; L506-T508 HydrophobicContact CG-CG2 4.39Å; L506-L513 HydrophobicContact CD2-CD1 4.39Å; L506-L516 HydrophobicContact CD1-CD1 4.45Å; L506-L516 HydrophobicContact CD2-CD1 3.96Å; L506-F526 HydrophobicContact CD2-CE1 3.89Å; L506-F526 HydrophobicContact CD2-CZ 3.94Å
507L98.3Very high93.6Very high0 Ų028.4 Ų28.40%012%0.123CC..EExtended strand (participates in β ladder)trans-112120.7179170.265.9000110.9F452 I463 E464 M467 V484 T485 H486 W487F452-L507 HydrophobicContact CB-CB 4.43Å; F452-L507 HydrophobicContact CB-CD1 3.89Å; F452-L507 HydrophobicContact CD1-CD1 3.55Å; F452-L507 HydrophobicContact CE1-CD1 4.42Å; F452-L507 HydrophobicContact CG-CD1 3.98Å; F452-L507 WeakPolarHBondContact O-CA 3.1Å; I463-L507 HydrophobicContact CB-CD2 4.48Å; I463-L507 HydrophobicContact CG2-CD1 4.4Å; I463-L507 HydrophobicContact CG2-CD2 4.29Å; E464-L507 HydrophobicContact CB-CD2 3.87Å; M467-L507 HydrophobicContact SD-CD2 4.06Å; V484-L507 PolarHBondContact O-N 3.2Å; T485-L507 WeakPolarHBondContact CA-O 3.32Å; T485-L507 HydrophobicContact CG2-CB 4.01Å; T485-L507 HydrophobicContact CG2-CD2 3.89Å; T485-L507 HydrophobicContact CG2-CG 4.13Å; H486-L507 PolarHBondContact N-O 3.08Å; W487-L507 HydrophobicContact CH2-CD1 4.21Å; W487-L507 HydrophobicContact CH2-CG 4.03Å; W487-L507 HydrophobicContact CZ2-CD1 4.39Å; W487-L507 HydrophobicContact CZ2-CD2 4.15Å; W487-L507 HydrophobicContact CZ2-CG 3.76Å
508T97.4Very high93.3Very high0 Ų026.5 Ų26.50%012%0.124CC..EExtended strand (participates in β ladder)trans-159.2-174.3-169.6-165.60000113.9F452 V453 C454 H486 W487 L506 L512 L513F452-T508 PolarHBondContact O-N 2.72Å; V453-T508 WeakPolarHBondContact CA-O 3.4Å; C454-T508 PolarHBondContact N-O 3.16Å; H486-T508 WeakPolarHBondContact O-CA 3.42Å; H486-T508 WeakPolarHBondContact O-CB 3.39Å; H486-T508 PolarHBondContact O-OG1 2.69Å; W487-T508 VanDerWaalsContact CZ3-C 3.45Å; L506-T508 HydrophobicContact CG-CG2 4.39Å; T508-L512 VanDerWaalsContact OG1-CB 3.3Å; T508-L512 WeakPolarHBondContact OG1-CB 3.04Å; T508-L513 HydrophobicContact CG2-CB 3.86Å
509S95.1Very high92.7Very high12 Ų1228.5 Ų28.58%0.08414%0.135CC..  trans-103.9169.6172.7620000112.4D511 L512 L513S509-D511 WeakPolarHBondContact CB-OD1 3.45Å; S509-D511 PolarHBondContact OG-OD1 3.1Å; S509-L512 WeakPolarHBondContact OG-CD1 3.36Å; S509-L512 VanDerWaalsContact OG-CG 3.28Å; S509-L512 WeakPolarHBondContact OG-CG 3.45Å; S509-L513 WeakPolarHBondContact O-CB 3.13Å; S509-L513 PolarHBondContact O-N 3.41Å
510V93.8Very high91.8Very high3 Ų329.5 Ų29.52%0.01814%0.141CC..Hα-helixtrans-59.4-48.9-176.8171.30000113.1V453 L513 L514 M542 L546 D549 L553V453-V510 HydrophobicContact CG1-CG2 3.8Å; V510-L513 PolarHBondContact O-N 3.16Å; V510-L514 PolarHBondContact O-N 3.24Å; V510-M542 HydrophobicContact CG2-CB 4Å; V510-M542 HydrophobicContact CG2-CG 4.04Å; V510-M542 HydrophobicContact CG2-SD 3.57Å; V510-M542 VanDerWaalsContact CG2-SD 3.57Å; V510-L546 HydrophobicContact CB-CD1 4.36Å; V510-D549 VanDerWaalsContact CG1-C 3.5Å; V510-D549 HydrophobicContact CG1-CB 4.16Å; V510-L553 HydrophobicContact CB-CD2 4.37Å; V510-L553 HydrophobicContact CG1-CB 4.23Å; V510-L553 HydrophobicContact CG1-CD2 4.04Å; V510-L553 HydrophobicContact CG2-CD2 4.15Å
511D90.7Very high90.3Very high33 Ų3328.6 Ų28.618%0.17615%0.148CC..Hα-helixtrans-68.2-39-177.162.8-42.2000112.3K489 S509 L514 Q515 L546K489-D511 WeakPolarHBondContact CE-OD2 3.31Å; K489-D511 IonicContact NZ-OD2 3.64Å; K489-D511 PolarHBondContact NZ-OD2 3.26Å; S509-D511 WeakPolarHBondContact CB-OD1 3.45Å; S509-D511 PolarHBondContact OG-OD1 3.1Å; D511-L514 PolarHBondContact O-N 3.49Å; D511-Q515 WeakPolarHBondContact O-CB 3.16Å; D511-Q515 PolarHBondContact O-N 3.06Å; D511-L546 HydrophobicContact CB-CD1 3.88Å
512L94.1Very high88.8Confident4 Ų428 Ų282%0.02116%0.156CC..Hα-helixtrans-69.9-39.9176.5-66.4-177.4000112.1H486 W487 K489 T508 S509 Q515 L516H486-L512 VanDerWaalsContact O-CD1 3.23Å; H486-L512 WeakPolarHBondContact O-CD1 3.34Å; W487-L512 VanDerWaalsContact C-CD1 3.43Å; W487-L512 VanDerWaalsContact CA-CD1 3.41Å; K489-L512 HydrophobicContact CB-CD2 4.46Å; K489-L512 HydrophobicContact CD-CD2 4.27Å; K489-L512 HydrophobicContact CG-CD2 3.39Å; T508-L512 VanDerWaalsContact OG1-CB 3.3Å; T508-L512 WeakPolarHBondContact OG1-CB 3.04Å; S509-L512 WeakPolarHBondContact OG-CD1 3.36Å; S509-L512 VanDerWaalsContact OG-CG 3.28Å; S509-L512 WeakPolarHBondContact OG-CG 3.45Å; L512-Q515 WeakPolarHBondContact O-CB 3.02Å; L512-Q515 PolarHBondContact O-N 3.06Å; L512-L516 PolarHBondContact O-N 3.17Å
513L95.1Very high87.5Confident1 Ų129 Ų291%0.00517%0.166CC..Hα-helixtrans-62-48.2170.8-178.656.8000110.9I451 V453 L506 T508 S509 V510 Q515 L516 L517 F526 L553I451-L513 HydrophobicContact CG2-CD1 4.11Å; I451-L513 HydrophobicContact CG2-CD2 3.82Å; V453-L513 HydrophobicContact CG2-CD2 3.55Å; L506-L513 HydrophobicContact CD2-CD1 4.39Å; T508-L513 HydrophobicContact CG2-CB 3.86Å; S509-L513 WeakPolarHBondContact O-CB 3.13Å; S509-L513 PolarHBondContact O-N 3.41Å; V510-L513 PolarHBondContact O-N 3.16Å; L513-Q515 VanDerWaalsContact C-N 3.25Å; L513-Q515 PolarHBondContact O-N 3.29Å; L513-L516 WeakPolarHBondContact O-CB 3.27Å; L513-L516 PolarHBondContact O-N 2.96Å; L513-L516 VanDerWaalsContact O-N 3.09Å; L513-L517 HydrophobicContact CD1-CD1 4.44Å; L513-L517 HydrophobicContact CD1-CD2 4.13Å; L513-L517 HydrophobicContact CD1-CG 4.07Å; L513-L517 HydrophobicContact CG-CD1 4.11Å; L513-L517 HydrophobicContact CG-CG 4.18Å; L513-L517 WeakPolarHBondContact O-CG 3.45Å; L513-L517 PolarHBondContact O-N 3.07Å; L513-F526 HydrophobicContact CD1-CE1 4.48Å; L513-F526 HydrophobicContact CD1-CZ 4.03Å; L513-L553 HydrophobicContact CD2-CD1 3.72Å; L513-L553 HydrophobicContact CD2-CD2 4.09Å; L513-L553 HydrophobicContact CG-CD1 4.08Å
514L92.3Very high86.8Confident11 Ų1131.2 Ų31.26%0.05818%0.182CC..Hα-helixtrans-57.3-38.9175.7-82.7-179.9000112.8V510 D511 L517 N518 D549 K552 L553 R556V510-L514 PolarHBondContact O-N 3.24Å; D511-L514 PolarHBondContact O-N 3.49Å; L514-L517 PolarHBondContact O-N 2.72Å; L514-N518 WeakPolarHBondContact O-CB 3.46Å; L514-N518 VanDerWaalsContact O-CG 3.24Å; L514-N518 PolarHBondContact O-N 3.46Å; L514-N518 PolarHBondContact O-ND2 2.87Å; L514-D549 HydrophobicContact CD1-CB 3.76Å; L514-D549 VanDerWaalsContact CD1-O 3.31Å; L514-D549 WeakPolarHBondContact CD1-O 3.23Å; L514-K552 HydrophobicContact CD1-CB 4.07Å; L514-K552 HydrophobicContact CD2-CB 4.4Å; L514-L553 HydrophobicContact CD2-CB 4.14Å; L514-L553 HydrophobicContact CD2-CD1 4.29Å; L514-L553 HydrophobicContact CG-CB 4.2Å; L514-R556 HydrophobicContact CD2-CG 4.4Å
515Q90.7Very high86.4Confident48 Ų4831.2 Ų31.222%0.22418%0.182CC..Hα-helixtrans-60.4-48174.5-171171.92.100110.8L492 D511 L512 L513 N518 H519L492-Q515 HydrophobicContact CD1-CG 4.11Å; L492-Q515 HydrophobicContact CD2-CG 4.27Å; D511-Q515 WeakPolarHBondContact O-CB 3.16Å; D511-Q515 PolarHBondContact O-N 3.06Å; L512-Q515 WeakPolarHBondContact O-CB 3.02Å; L512-Q515 PolarHBondContact O-N 3.06Å; L513-Q515 VanDerWaalsContact C-N 3.25Å; L513-Q515 PolarHBondContact O-N 3.29Å; Q515-N518 PolarHBondContact O-N 3.18Å; Q515-H519 PolarHBondContact O-CD2 2.56Å; Q515-H519 PolarHBondContact O-N 2.79Å
516L92.3Very high86Confident0 Ų031.6 Ų31.60%018%0.183CC..Hα-helixtrans-60.7-45.2174.5-70.2170.4000112.6L492 I495 V496 L499 L506 L512 L513 N518 H519 N520 I525 F526L492-L516 HydrophobicContact CD1-CD2 3.64Å; L492-L516 HydrophobicContact CD1-CG 4.3Å; I495-L516 HydrophobicContact CG2-CD1 4.13Å; I495-L516 HydrophobicContact CG2-CD2 4.05Å; V496-L516 HydrophobicContact CG2-CD2 3.9Å; L499-L516 HydrophobicContact CD1-CD1 4.16Å; L499-L516 HydrophobicContact CD1-CD2 4.3Å; L506-L516 HydrophobicContact CD1-CD1 4.45Å; L506-L516 HydrophobicContact CD2-CD1 3.96Å; L512-L516 PolarHBondContact O-N 3.17Å; L513-L516 WeakPolarHBondContact O-CB 3.27Å; L513-L516 PolarHBondContact O-N 2.96Å; L513-L516 VanDerWaalsContact O-N 3.09Å; L516-N518 VanDerWaalsContact C-N 3.33Å; L516-N518 PolarHBondContact O-N 3.19Å; L516-H519 CarbonylContact O-C 3.56Å; L516-H519 PolarHBondContact O-N 3.13Å; L516-N520 PolarHBondContact O-N 2.63Å; L516-I525 HydrophobicContact CB-CD1 4.39Å; L516-I525 HydrophobicContact CD2-CD1 4.24Å; L516-F526 HydrophobicContact CB-CE2 3.93Å; L516-F526 HydrophobicContact CB-CZ 4.07Å
517L88.9Confident85.5Confident8 Ų833.7 Ų33.74%0.04220%0.195CC..Hα-helixtrans-63.4-37.8179.3-61.6178.8000111.9L513 L514 N520 F526 L553 M560L513-L517 HydrophobicContact CD1-CD1 4.44Å; L513-L517 HydrophobicContact CD1-CD2 4.13Å; L513-L517 HydrophobicContact CD1-CG 4.07Å; L513-L517 HydrophobicContact CG-CD1 4.11Å; L513-L517 HydrophobicContact CG-CG 4.18Å; L513-L517 WeakPolarHBondContact O-CG 3.45Å; L513-L517 PolarHBondContact O-N 3.07Å; L514-L517 PolarHBondContact O-N 2.72Å; L517-N520 WeakPolarHBondContact O-CB 3.49Å; L517-N520 PolarHBondContact O-N 2.93Å; L517-F526 HydrophobicContact CD2-CD2 3.84Å; L517-F526 HydrophobicContact CD2-CE1 4.46Å; L517-F526 HydrophobicContact CD2-CE2 3.64Å; L517-F526 HydrophobicContact CD2-CG 4.36Å; L517-F526 HydrophobicContact CD2-CZ 3.98Å; L517-L553 HydrophobicContact CD1-CD1 3.8Å; L517-M560 HydrophobicContact CB-SD 4.06Å; L517-M560 HydrophobicContact CD1-SD 4.19Å; L517-M560 HydrophobicContact CD2-CE 3.62Å; L517-M560 HydrophobicContact CD2-SD 3.72Å; L517-M560 HydrophobicContact CG-SD 4.17Å
518N85.4Confident84.9Confident98 Ų9835.7 Ų35.752%0.52421%0.211SC..Hα-helixtrans-73-26176.3-69.6-34.7000112.9L514 Q515 L516 N520 R556L514-N518 WeakPolarHBondContact O-CB 3.46Å; L514-N518 VanDerWaalsContact O-CG 3.24Å; L514-N518 PolarHBondContact O-N 3.46Å; L514-N518 PolarHBondContact O-ND2 2.87Å; Q515-N518 PolarHBondContact O-N 3.18Å; L516-N518 VanDerWaalsContact C-N 3.33Å; L516-N518 PolarHBondContact O-N 3.19Å; N518-N520 VanDerWaalsContact C-N 3.28Å; N518-N520 PolarHBondContact O-N 3.25Å; N518-R556 PolarHBondContact OD1-NH2 2.93Å
519H80.2Confident84.4Confident106 Ų10639.7 Ų39.749%0.49123%0.23SC..THydrogen-bonded Turntrans-88.322.6173.9-77.6-72.3000113.8Q515 L516 P521Q515-H519 PolarHBondContact O-CD2 2.56Å; Q515-H519 PolarHBondContact O-N 2.79Å; L516-H519 CarbonylContact O-C 3.56Å; L516-H519 PolarHBondContact O-N 3.13Å; H519-P521 VanDerWaalsContact C-CD 3.44Å; H519-P521 WeakPolarHBondContact O-CD 3.46Å
520N74Confident84.2Confident21 Ų2139.5 Ų39.511%0.11223%0.229CC..  trans-112.570.1-177.3-173.441.4000112.6L516 L517 N518 V522 G523 S524 I525 F526L516-N520 PolarHBondContact O-N 2.63Å; L517-N520 WeakPolarHBondContact O-CB 3.49Å; L517-N520 PolarHBondContact O-N 2.93Å; N518-N520 VanDerWaalsContact C-N 3.28Å; N518-N520 PolarHBondContact O-N 3.25Å; N520-V522 PolarHBondContact O-N 2.94Å; N520-G523 VanDerWaalsContact OD1-CA 3.29Å; N520-G523 WeakPolarHBondContact OD1-CA 3.41Å; N520-G523 PolarHBondContact OD1-N 2.86Å; N520-S524 PolarHBondContact OD1-N 2.95Å; N520-S524 PolarHBondContact OD1-OG 3.01Å; N520-I525 HydrophobicContact CB-CD1 4.34Å; N520-I525 HydrophobicContact CB-CG1 3.99Å; N520-I525 WeakPolarHBondContact OD1-CG1 3.43Å; N520-I525 PolarHBondContact OD1-N 3.48Å; N520-I525 VanDerWaalsContact OD1-N 3.11Å; N520-F526 HydrophobicContact CB-CD2 4.34Å
521P60.7Low84.2Confident112 Ų11239.4 Ų39.473%0.72723%0.229SC*.THydrogen-bonded Turntrans-61.4-34-165.921.8-33.7000115.4H519H519-P521 VanDerWaalsContact C-CD 3.44Å; H519-P521 WeakPolarHBondContact O-CD 3.46Å
522V60.3Low84.3Confident130 Ų13041.6 Ų41.679%0.78824%0.237SC*.THydrogen-bonded Turntrans-145.960173.8-165.60000110.6N520 S524N520-V522 PolarHBondContact O-N 2.94Å; V522-S524 PolarHBondContact O-N 3.45Å
523G66.1Low84.3Confident21 Ų2141.9 Ų41.922%0.21624%0.239CC..SBendtrans58.826.3176.300000114.4R446 N520 I525 F526R446-G523 PolarHBondContact NE-O 3.49Å; R446-G523 PolarHBondContact NH2-O 3.38Å; N520-G523 VanDerWaalsContact OD1-CA 3.29Å; N520-G523 WeakPolarHBondContact OD1-CA 3.41Å; N520-G523 PolarHBondContact OD1-N 2.86Å; G523-I525 VanDerWaalsContact C-N 3.33Å; G523-I525 PolarHBondContact O-N 2.73Å; G523-F526 CarbonylContact C-O 3.55Å; G523-F526 WeakPolarHBondContact CA-O 3.49Å
524S77.6Confident84.4Confident47 Ų4741.8 Ų41.833%0.32924%0.238SC..SBendtrans-72.1-22.1-171.949.30000114.3N520 V522N520-S524 PolarHBondContact OD1-N 2.95Å; N520-S524 PolarHBondContact OD1-OG 3.01Å; V522-S524 PolarHBondContact O-N 3.45Å
525I87.3Confident84.7Confident1 Ų141.3 Ų41.31%0.00524%0.236CC..SBendtrans-126.6-8.8177.853.4165.4000113.6G447 V496 L499 K500 L516 N520 G523G447-I525 WeakPolarHBondContact CA-O 3.41Å; V496-I525 HydrophobicContact CG1-CG2 4.08Å; V496-I525 HydrophobicContact CG2-CD1 4.3Å; L499-I525 HydrophobicContact CB-CB 3.99Å; L499-I525 HydrophobicContact CB-CG2 4.11Å; K500-I525 HydrophobicContact CG-CG2 4.36Å; L516-I525 HydrophobicContact CB-CD1 4.39Å; L516-I525 HydrophobicContact CD2-CD1 4.24Å; N520-I525 HydrophobicContact CB-CD1 4.34Å; N520-I525 HydrophobicContact CB-CG1 3.99Å; N520-I525 WeakPolarHBondContact OD1-CG1 3.43Å; N520-I525 PolarHBondContact OD1-N 3.48Å; N520-I525 VanDerWaalsContact OD1-N 3.11Å; G523-I525 VanDerWaalsContact C-N 3.33Å; G523-I525 PolarHBondContact O-N 2.73Å
526F87.6Confident85Confident7 Ų739.1 Ų39.13%0.03123%0.225CC..  trans-128.5119.1171.7-65.5-78000109.9P448 I451 L499 L506 L513 L516 L517 N520 G523 F561P448-F526 HydrophobicContact CG-CD1 4.15Å; P448-F526 HydrophobicContact CG-CE1 3.99Å; I451-F526 HydrophobicContact CD1-CD1 4Å; I451-F526 HydrophobicContact CD1-CE1 3.74Å; I451-F526 HydrophobicContact CG1-CE1 4.39Å; L499-F526 HydrophobicContact CD1-CZ 4.49Å; L506-F526 HydrophobicContact CD2-CE1 3.89Å; L506-F526 HydrophobicContact CD2-CZ 3.94Å; L513-F526 HydrophobicContact CD1-CE1 4.48Å; L513-F526 HydrophobicContact CD1-CZ 4.03Å; L516-F526 HydrophobicContact CB-CE2 3.93Å; L516-F526 HydrophobicContact CB-CZ 4.07Å; L517-F526 HydrophobicContact CD2-CD2 3.84Å; L517-F526 HydrophobicContact CD2-CE1 4.46Å; L517-F526 HydrophobicContact CD2-CE2 3.64Å; L517-F526 HydrophobicContact CD2-CG 4.36Å; L517-F526 HydrophobicContact CD2-CZ 3.98Å; N520-F526 HydrophobicContact CB-CD2 4.34Å; G523-F526 CarbonylContact C-O 3.55Å; G523-F526 WeakPolarHBondContact CA-O 3.49Å; F526-F561 HydrophobicContact CD1-CZ 4.41Å
527D88Confident85.2Confident45 Ų4539.1 Ų39.124%0.24123%0.226CC..  trans-97.4111.1167.4172.62.1000108.6R441 R446 Q529 A530 V531R441-D527 IonicContact NH2-OD2 3.18Å; R441-D527 PolarHBondContact NH2-OD2 3.3Å; R446-D527 HydrophobicContact CG-CB 4.23Å; D527-Q529 PolarHBondContact O-N 2.95Å; D527-Q529 PolarHBondContact OD1-N 3.47Å; D527-A530 HydrophobicContact CB-CB 3.78Å; D527-A530 WeakPolarHBondContact O-CB 3.26Å; D527-A530 PolarHBondContact O-N 3.15Å; D527-A530 PolarHBondContact OD1-N 2.95Å; D527-V531 PolarHBondContact O-N 2.81Å
528A85.4Confident85.4Confident41 Ų4139.4 Ų39.434%0.33923%0.227SC..THydrogen-bonded Turntrans-62.6-23-177.100000114.1M560A528-M560 WeakPolarHBondContact CB-O 3.11Å
529Q87.8Confident85.8Confident84 Ų8434.8 Ų34.839%0.39320%0.202SC..THydrogen-bonded Turntrans-88.1-16.6175.1-64.5-60.4-53.400112.3D527 K532 K567D527-Q529 PolarHBondContact O-N 2.95Å; D527-Q529 PolarHBondContact OD1-N 3.47Å; Q529-K532 WeakPolarHBondContact O-CE 3.4Å; Q529-K532 PolarHBondContact O-NZ 3.45Å; Q529-K567 VanDerWaalsContact OE1-NZ 3.08Å
530A90Very high86.3Confident9 Ų930.6 Ų30.67%0.07418%0.184CC..THydrogen-bonded Turntrans-85.6-35.4176.900000113.6D527 K532D527-A530 HydrophobicContact CB-CB 3.78Å; D527-A530 WeakPolarHBondContact O-CB 3.26Å; D527-A530 PolarHBondContact O-N 3.15Å; D527-A530 PolarHBondContact OD1-N 2.95Å; A530-K532 WeakPolarHBondContact O-CG 3.36Å; A530-K532 PolarHBondContact O-N 3.35Å
531V93.1Very high87Confident1 Ų129.7 Ų29.71%0.00618%0.179CC..  trans-67.2106.3175.8179.80000109.1P448 T449 I451 D527 I534 F561P448-V531 HydrophobicContact CG-CG2 4.43Å; P448-V531 WeakPolarHBondContact O-CG2 3.33Å; T449-V531 CarbonylContact O-C 3.58Å; T449-V531 WeakPolarHBondContact O-CA 3.26Å; I451-V531 HydrophobicContact CD1-CG1 4.19Å; I451-V531 HydrophobicContact CD1-CG2 4.19Å; I451-V531 HydrophobicContact CG1-CG1 4.23Å; I451-V531 HydrophobicContact CG1-CG2 4.44Å; D527-V531 PolarHBondContact O-N 2.81Å; V531-I534 HydrophobicContact CG1-CD1 4.2Å; V531-I534 HydrophobicContact CG1-CG1 3.82Å; V531-F561 HydrophobicContact CB-CD1 3.94Å; V531-F561 HydrophobicContact CB-CE1 3.86Å; V531-F561 HydrophobicContact CG1-CD1 4.15Å; V531-F561 HydrophobicContact CG1-CE1 4.14Å; V531-F561 HydrophobicContact CG2-CD1 4.26Å; V531-F561 HydrophobicContact CG2-CE1 3.64Å; V531-F561 HydrophobicContact CG2-CZ 4.42Å
532K93.6Very high88.4Confident79 Ų7924.5 Ų24.534%0.34315%0.145SC..  trans-93.9-17.9179.1-58.2-46.8-170.8-175.10113.4T449 Q529 A530 C568 Q569T449-K532 HydrophobicContact CG2-CB 4.49Å; T449-K532 HydrophobicContact CG2-CG 4.21Å; T449-K532 PolarHBondContact O-N 3.16Å; Q529-K532 WeakPolarHBondContact O-CE 3.4Å; Q529-K532 PolarHBondContact O-NZ 3.45Å; A530-K532 WeakPolarHBondContact O-CG 3.36Å; A530-K532 PolarHBondContact O-N 3.35Å; K532-C568 CarbonylContact O-C 3.6Å; K532-C568 WeakPolarHBondContact O-CA 3.43Å; K532-Q569 PolarHBondContact O-N 3.39Å
533C94.8Very high89.6Confident9 Ų919.7 Ų19.76%0.06112%0.115CC..EExtended strand (participates in β ladder)trans-149.6138-173.8-178.50000111.6C450 I451 Q569 L571C450-C533 WeakPolarHBondContact CA-O 3.34Å; C450-C533 HydrophobicContact CB-CB 4.27Å; I451-C533 PolarHBondContact N-O 3.22Å; C533-Q569 CarbonylContact C-O 3.54Å; C533-Q569 WeakPolarHBondContact CA-O 3.29Å; C533-L571 WeakPolarHBondContact SG-CD1 3.22Å
534I96.8Very high90.3Very high0 Ų026.1 Ų26.10%013%0.133CC..EExtended strand (participates in β ladder)trans-126.1127.4168.3-58.6-178.4000108.1I451 V531 L536 L557 F561 L563 Q569 L570 L571I451-I534 HydrophobicContact CB-CG1 4.3Å; I451-I534 CarbonylContact O-C 3.5Å; I451-I534 VanDerWaalsContact O-CA 3.29Å; I451-I534 WeakPolarHBondContact O-CA 3.28Å; V531-I534 HydrophobicContact CG1-CD1 4.2Å; V531-I534 HydrophobicContact CG1-CG1 3.82Å; I534-L536 HydrophobicContact CG2-CD2 4.25Å; I534-L557 HydrophobicContact CD1-CD2 3.84Å; I534-L557 HydrophobicContact CG2-CD2 4.46Å; I534-F561 HydrophobicContact CD1-CB 4.24Å; I534-F561 HydrophobicContact CD1-CD1 4.45Å; I534-F561 HydrophobicContact CD1-CD2 3.46Å; I534-F561 VanDerWaalsContact CD1-CD2 3.46Å; I534-F561 HydrophobicContact CD1-CE2 3.86Å; I534-F561 HydrophobicContact CD1-CG 3.79Å; I534-L563 HydrophobicContact CD1-CD2 4.32Å; I534-Q569 PolarHBondContact N-O 2.55Å; I534-L570 HydrophobicContact CB-CD1 3.99Å; I534-L570 HydrophobicContact CG2-CD1 4.02Å; I534-L570 WeakPolarHBondContact O-CA 3.44Å; I534-L571 PolarHBondContact O-N 3.05Å
535A97.7Very high90.3Very high0 Ų027.3 Ų27.30%014%0.138CC..EExtended strand (participates in β ladder)trans-115.1127177.600000111Y426 I451 F452 V453 L571Y426-A535 HydrophobicContact CE2-CB 4.11Å; I451-A535 PolarHBondContact O-N 2.91Å; F452-A535 HydrophobicContact CD1-CB 4.41Å; F452-A535 HydrophobicContact CD2-CB 3.57Å; F452-A535 HydrophobicContact CE2-CB 3.75Å; F452-A535 HydrophobicContact CG-CB 3.94Å; F452-A535 HydrophobicContact CZ-CB 4.22Å; V453-A535 PolarHBondContact N-O 3.29Å; A535-L571 CarbonylContact C-O 3.55Å; A535-L571 WeakPolarHBondContact CA-O 3.37Å; A535-L571 HydrophobicContact CB-CB 4.18Å; A535-L571 HydrophobicContact CB-CD1 4.37Å
536L97.5Very high90Very high2 Ų228.8 Ų28.81%0.0115%0.146CC..EExtended strand (participates in β ladder)trans-11486.7175.1-54.6-179.1000108.5V453 I534 L539 M542 L554 L557 L570 L571 V572 S573V453-L536 HydrophobicContact CB-CD2 3.88Å; V453-L536 HydrophobicContact CG2-CD2 3.87Å; I534-L536 HydrophobicContact CG2-CD2 4.25Å; L536-L539 HydrophobicContact CD1-CD1 4.46Å; L536-M542 HydrophobicContact CB-CE 4.1Å; L536-L554 HydrophobicContact CD1-CD2 3.75Å; L536-L557 HydrophobicContact CD1-CD1 4.32Å; L536-L570 HydrophobicContact CD1-CD1 4.3Å; L536-L570 HydrophobicContact CG-CD1 4.33Å; L536-L571 PolarHBondContact N-O 2.75Å; L536-V572 HydrophobicContact CB-CG2 4.45Å; L536-V572 HydrophobicContact CD1-CG2 4.43Å; L536-S573 PolarHBondContact O-N 2.83Å
537D96.2Very high89.7Confident1 Ų130.1 Ų30.11%0.00516%0.155CC..THydrogen-bonded Turntrans-84.6130.1-176.8-163.516.5000112T423 Y426 F452 V453 P455 M542 S573T423-D537 WeakPolarHBondContact CB-OD2 3.47Å; T423-D537 WeakPolarHBondContact CG2-OD2 3.32Å; T423-D537 PolarHBondContact OG1-OD2 2.95Å; Y426-D537 VanDerWaalsContact OH-CB 3.32Å; Y426-D537 WeakPolarHBondContact OH-CB 3.46Å; Y426-D537 PolarHBondContact OH-OD1 3.48Å; F452-D537 HydrophobicContact CE1-CB 3.7Å; F452-D537 HydrophobicContact CZ-CB 4.05Å; V453-D537 PolarHBondContact O-N 3.14Å; P455-D537 WeakPolarHBondContact CD-O 3.42Å; D537-M542 WeakPolarHBondContact O-CE 3.46Å; D537-S573 WeakPolarHBondContact OD1-CB 3.44Å; D537-S573 PolarHBondContact OD1-OG 3.49Å
538N93.3Very high89.4Confident14 Ų1430.6 Ų30.68%0.07516%0.158CC..THydrogen-bonded Turntrans54.350.8-173.5-59.5-52.1000113.8P455 Q459 N540 D541 M542 S573P455-N538 HydrophobicContact CG-CB 3.83Å; Q459-N538 PolarHBondContact OE1-ND2 2.89Å; N538-N540 PolarHBondContact O-N 2.93Å; N538-N540 VanDerWaalsContact O-N 3.08Å; N538-D541 HydrophobicContact CB-CB 4.21Å; N538-D541 WeakPolarHBondContact O-CA 3.32Å; N538-D541 WeakPolarHBondContact O-CB 3.39Å; N538-D541 PolarHBondContact O-N 2.99Å; N538-M542 PolarHBondContact O-N 3.05Å; N538-S573 CarbonylContact C-O 3.57Å; N538-S573 VanDerWaalsContact CA-O 3.23Å; N538-S573 WeakPolarHBondContact CA-O 3.24Å; N538-S573 PolarHBondContact N-O 3.48Å; N538-S573 VanDerWaalsContact N-O 3.07Å; N538-S573 PolarHBondContact N-OG 3.14Å
539L94.6Very high89.4Confident1 Ų130.7 Ų30.71%0.00515%0.153CC..Hα-helixtrans-48-38.117917965.7000114L536 D541 M542 V543 T550 V572 S573 L581 M582 I586L536-L539 HydrophobicContact CD1-CD1 4.46Å; L539-D541 VanDerWaalsContact C-N 3.29Å; L539-D541 PolarHBondContact O-N 3.13Å; L539-M542 HydrophobicContact CD1-SD 4.18Å; L539-M542 WeakPolarHBondContact O-CB 3.18Å; L539-M542 PolarHBondContact O-N 2.87Å; L539-M542 VanDerWaalsContact O-N 3.14Å; L539-V543 HydrophobicContact CD1-CG2 4.38Å; L539-V543 PolarHBondContact O-N 3.13Å; L539-T550 HydrophobicContact CD1-CG2 3.85Å; L539-V572 HydrophobicContact CB-CG1 4.12Å; L539-V572 HydrophobicContact CD2-CG1 3.81Å; L539-S573 PolarHBondContact N-O 3.18Å; L539-L581 HydrophobicContact CD2-CD2 3.98Å; L539-L581 HydrophobicContact CD2-CG 4.38Å; L539-L581 HydrophobicContact CG-CD2 4.19Å; L539-M582 HydrophobicContact CD2-CE 4.27Å; L539-M582 HydrophobicContact CD2-SD 4.48Å; L539-I586 HydrophobicContact CD2-CD1 3.53Å; L539-I586 HydrophobicContact CD2-CG1 3.69Å
540N90.1Very high89.5Confident18 Ų1826.7 Ų26.710%0.09613%0.134CC..Hα-helixtrans-63.8-33.4176.9-53.8103.2000113N538 R544 G574 R575 I576N538-N540 PolarHBondContact O-N 2.93Å; N538-N540 VanDerWaalsContact O-N 3.08Å; N540-R544 WeakPolarHBondContact O-CB 3.49Å; N540-R544 PolarHBondContact O-N 3.43Å; N540-G574 WeakPolarHBondContact OD1-CA 3.43Å; N540-R575 PolarHBondContact OD1-N 3.34Å; N540-I576 PolarHBondContact ND2-O 2.91Å; N540-I576 PolarHBondContact OD1-N 3.26Å; N540-I576 PolarHBondContact OD1-O 2.85Å
541D87.8Confident89.5Confident2 Ų228.5 Ų28.51%0.01114%0.142CC..Hα-helixtrans-71.5-36174.7-72.1-35.9000110P455 N538 L539 R544 V545 R575P455-D541 HydrophobicContact CB-CB 3.77Å; P455-D541 HydrophobicContact CG-CB 3.55Å; N538-D541 HydrophobicContact CB-CB 4.21Å; N538-D541 WeakPolarHBondContact O-CA 3.32Å; N538-D541 WeakPolarHBondContact O-CB 3.39Å; N538-D541 PolarHBondContact O-N 2.99Å; L539-D541 VanDerWaalsContact C-N 3.29Å; L539-D541 PolarHBondContact O-N 3.13Å; D541-R544 PolarHBondContact O-N 2.86Å; D541-R544 IonicContact OD1-CZ 3.33Å; D541-R544 IonicContact OD1-NH1 3.69Å; D541-R544 PolarHBondContact OD1-NH1 3.04Å; D541-R544 IonicContact OD1-NH2 3.47Å; D541-R544 PolarHBondContact OD1-NH2 2.83Å; D541-V545 WeakPolarHBondContact O-CG2 3.48Å; D541-V545 PolarHBondContact O-N 3.04Å; D541-V545 VanDerWaalsContact O-N 3.09Å; D541-R575 IonicContact OD1-CZ 2.7Å; D541-R575 IonicContact OD1-NE 3.63Å; D541-R575 IonicContact OD1-NH2 2.72Å; D541-R575 PolarHBondContact OD1-NH2 3.42Å; D541-R575 IonicContact OD2-CZ 2.71Å; D541-R575 VanDerWaalsContact OD2-CZ 3.27Å; D541-R575 IonicContact OD2-NE 3.73Å; D541-R575 PolarHBondContact OD2-NE 3.5Å; D541-R575 VanDerWaalsContact OD2-NE 3.08Å; D541-R575 IonicContact OD2-NH2 2.79Å; D541-R575 PolarHBondContact OD2-NH2 3.19Å
542M89.9Confident89.4Confident3 Ų333.2 Ų33.22%0.01516%0.162CC..Hα-helixtrans-60.4-51.2172.4-54.5-176.6-165.200111.6V453 P455 V510 L536 D537 N538 L539 R544 V545 L546 T550V453-M542 HydrophobicContact CB-CE 4.06Å; V453-M542 HydrophobicContact CG1-CE 3.93Å; V453-M542 HydrophobicContact CG1-SD 4Å; V453-M542 WeakPolarHBondContact O-CE 3.49Å; P455-M542 HydrophobicContact CB-CG 4.24Å; P455-M542 HydrophobicContact CG-CG 4.05Å; V510-M542 HydrophobicContact CG2-CB 4Å; V510-M542 HydrophobicContact CG2-CG 4.04Å; V510-M542 HydrophobicContact CG2-SD 3.57Å; V510-M542 VanDerWaalsContact CG2-SD 3.57Å; L536-M542 HydrophobicContact CB-CE 4.1Å; D537-M542 WeakPolarHBondContact O-CE 3.46Å; N538-M542 PolarHBondContact O-N 3.05Å; L539-M542 HydrophobicContact CD1-SD 4.18Å; L539-M542 WeakPolarHBondContact O-CB 3.18Å; L539-M542 PolarHBondContact O-N 2.87Å; L539-M542 VanDerWaalsContact O-N 3.14Å; M542-R544 VanDerWaalsContact C-N 3.25Å; M542-R544 PolarHBondContact O-N 2.84Å; M542-V545 PolarHBondContact O-N 3.02Å; M542-L546 CarbonylContact O-C 3.55Å; M542-L546 PolarHBondContact O-N 3.3Å; M542-T550 HydrophobicContact CB-CG2 4.13Å; M542-T550 PolarHBondContact O-OG1 3.38Å
543V86.9Confident89.4Confident28 Ų2829.5 Ų29.517%0.1715%0.146CC..Hα-helixtrans-63.9-29.9178.6175.60000112L539 P547 T550 L581L539-V543 HydrophobicContact CD1-CG2 4.38Å; L539-V543 PolarHBondContact O-N 3.13Å; V543-P547 VanDerWaalsContact O-CA 3.28Å; V543-P547 WeakPolarHBondContact O-CA 3.49Å; V543-P547 VanDerWaalsContact O-CB 3.29Å; V543-P547 WeakPolarHBondContact O-CB 3.46Å; V543-P547 WeakPolarHBondContact O-CD 3.13Å; V543-T550 HydrophobicContact CG2-CG2 3.59Å; V543-L581 HydrophobicContact CG2-CD1 4.29Å; V543-L581 HydrophobicContact CG2-CD2 3.84Å
544R79.9Confident89.3Confident157 Ų15729.3 Ų29.359%0.59214%0.144SC*.Hα-helixtrans-69.5-41.4174.2-173.7-179.667-113.7-9112.4N540 D541 M542N540-R544 WeakPolarHBondContact O-CB 3.49Å; N540-R544 PolarHBondContact O-N 3.43Å; D541-R544 PolarHBondContact O-N 2.86Å; D541-R544 IonicContact OD1-CZ 3.33Å; D541-R544 IonicContact OD1-NH1 3.69Å; D541-R544 PolarHBondContact OD1-NH1 3.04Å; D541-R544 IonicContact OD1-NH2 3.47Å; D541-R544 PolarHBondContact OD1-NH2 2.83Å; M542-R544 VanDerWaalsContact C-N 3.25Å; M542-R544 PolarHBondContact O-N 2.84Å
545V77.8Confident89.1Confident71 Ų7134.8 Ų34.843%0.4317%0.17SC..Hα-helixtrans-84.6-42.9-174.2-1780000111.6D541 M542D541-V545 WeakPolarHBondContact O-CG2 3.48Å; D541-V545 PolarHBondContact O-N 3.04Å; D541-V545 VanDerWaalsContact O-N 3.09Å; M542-V545 PolarHBondContact O-N 3.02Å
546L81Confident88.7Confident33 Ų3338.9 Ų38.917%0.17319%0.185CC..  trans-13467.2-175.8-66.3174.2000110.7V510 D511 M542 N548 D549 T550V510-L546 HydrophobicContact CB-CD1 4.36Å; D511-L546 HydrophobicContact CB-CD1 3.88Å; M542-L546 CarbonylContact O-C 3.55Å; M542-L546 PolarHBondContact O-N 3.3Å; L546-N548 PolarHBondContact O-N 3.26Å; L546-D549 HydrophobicContact CB-CB 4.37Å; L546-T550 VanDerWaalsContact O-CB 3.28Å; L546-T550 WeakPolarHBondContact O-CB 3.45Å; L546-T550 PolarHBondContact O-N 3.05Å; L546-T550 PolarHBondContact O-OG1 2.93Å
547P81.7Confident88.4Confident34 Ų3438.8 Ų38.822%0.22119%0.185CC..Hα-helixtrans-57.3-52.3-174.419.2-31000112.6V543 D549 T550 M551V543-P547 VanDerWaalsContact O-CA 3.28Å; V543-P547 WeakPolarHBondContact O-CA 3.49Å; V543-P547 VanDerWaalsContact O-CB 3.29Å; V543-P547 WeakPolarHBondContact O-CB 3.46Å; V543-P547 WeakPolarHBondContact O-CD 3.13Å; P547-D549 PolarHBondContact O-N 3.27Å; P547-T550 PolarHBondContact O-N 3.06Å; P547-M551 WeakPolarHBondContact O-CG 3.47Å; P547-M551 PolarHBondContact O-N 3.39Å
548N80.6Confident88.2Confident56 Ų5641.9 Ų41.930%0.29921%0.205SC..Hα-helixtrans-65.6-42.6-174.3-68.8-35.2000112.2L546 M551 K552L546-N548 PolarHBondContact O-N 3.26Å; N548-M551 PolarHBondContact O-N 2.84Å; N548-K552 WeakPolarHBondContact O-CG 3.29Å; N548-K552 PolarHBondContact O-N 3.09Å
549D86.3Confident88Confident42 Ų4247 Ų4723%0.22523%0.228CC..Hα-helixtrans-74.4-32.3-179.7-75.3-3.3000111.3V510 L514 L546 P547 M551 K552 L553V510-D549 VanDerWaalsContact CG1-C 3.5Å; V510-D549 HydrophobicContact CG1-CB 4.16Å; L514-D549 HydrophobicContact CD1-CB 3.76Å; L514-D549 VanDerWaalsContact CD1-O 3.31Å; L514-D549 WeakPolarHBondContact CD1-O 3.23Å; L546-D549 HydrophobicContact CB-CB 4.37Å; P547-D549 PolarHBondContact O-N 3.27Å; D549-M551 PolarHBondContact O-N 3.02Å; D549-K552 PolarHBondContact O-N 2.93Å; D549-K552 IonicContact OD1-NZ 3.6Å; D549-K552 PolarHBondContact OD1-NZ 3.32Å; D549-L553 WeakPolarHBondContact O-CB 3.31Å; D549-L553 PolarHBondContact O-N 3.3Å
550T90.9Very high87.5Confident1 Ų149 Ų491%0.00624%0.239CC..Hα-helixtrans-63.9-42.3170.5-53.10000110.9L539 M542 V543 L546 P547 L553 L554L539-T550 HydrophobicContact CD1-CG2 3.85Å; M542-T550 HydrophobicContact CB-CG2 4.13Å; M542-T550 PolarHBondContact O-OG1 3.38Å; V543-T550 HydrophobicContact CG2-CG2 3.59Å; L546-T550 VanDerWaalsContact O-CB 3.28Å; L546-T550 WeakPolarHBondContact O-CB 3.45Å; L546-T550 PolarHBondContact O-N 3.05Å; L546-T550 PolarHBondContact O-OG1 2.93Å; P547-T550 PolarHBondContact O-N 3.06Å; T550-L553 PolarHBondContact O-N 3.49Å; T550-L554 WeakPolarHBondContact O-CG 3.28Å; T550-L554 PolarHBondContact O-N 2.77Å
551M89.8Confident87.5Confident47 Ų4748.5 Ų48.523%0.23224%0.235CC..Hα-helixtrans-64-43.4176.4-67-44.5-57.500112.7P547 N548 D549 L553 L554 Q555 L581 H585P547-M551 WeakPolarHBondContact O-CG 3.47Å; P547-M551 PolarHBondContact O-N 3.39Å; N548-M551 PolarHBondContact O-N 2.84Å; D549-M551 PolarHBondContact O-N 3.02Å; M551-L553 VanDerWaalsContact C-N 3.32Å; M551-L553 PolarHBondContact O-N 2.92Å; M551-L554 PolarHBondContact O-N 3.24Å; M551-L554 HydrophobicContact SD-CD1 4.37Å; M551-Q555 WeakPolarHBondContact O-CG 3.42Å; M551-Q555 PolarHBondContact O-N 3.42Å; M551-Q555 VanDerWaalsContact O-N 3.08Å; M551-L581 HydrophobicContact CE-CD1 4.49Å; M551-L581 HydrophobicContact SD-CD1 3.9Å; M551-H585 HydrophobicContact CE-CB 4.27Å; M551-H585 WeakPolarHBondContact CE-CD2 3.39Å; M551-H585 WeakPolarHBondContact CE-NE2 3.36Å
552K90.8Very high87.5Confident99 Ų9953.1 Ų53.143%0.4326%0.257SS..Hα-helixtrans-59-43.3173.1-69.4169.3-160.1160.50111.6L514 N548 D549 Q555 R556L514-K552 HydrophobicContact CD1-CB 4.07Å; L514-K552 HydrophobicContact CD2-CB 4.4Å; N548-K552 WeakPolarHBondContact O-CG 3.29Å; N548-K552 PolarHBondContact O-N 3.09Å; D549-K552 PolarHBondContact O-N 2.93Å; D549-K552 IonicContact OD1-NZ 3.6Å; D549-K552 PolarHBondContact OD1-NZ 3.32Å; K552-Q555 PolarHBondContact O-N 2.98Å; K552-R556 WeakPolarHBondContact O-CB 3.41Å; K552-R556 VanDerWaalsContact O-CG 3.22Å; K552-R556 WeakPolarHBondContact O-CG 3.42Å; K552-R556 PolarHBondContact O-N 3.11Å
553L93.2Very high87.4Confident1 Ų153.8 Ų53.81%0.00526%0.26CS..Hα-helixtrans-59.9-48.5177.8177.861.5000110.7V510 L513 L514 L517 D549 T550 M551 Q555 R556 L557V510-L553 HydrophobicContact CB-CD2 4.37Å; V510-L553 HydrophobicContact CG1-CB 4.23Å; V510-L553 HydrophobicContact CG1-CD2 4.04Å; V510-L553 HydrophobicContact CG2-CD2 4.15Å; L513-L553 HydrophobicContact CD2-CD1 3.72Å; L513-L553 HydrophobicContact CD2-CD2 4.09Å; L513-L553 HydrophobicContact CG-CD1 4.08Å; L514-L553 HydrophobicContact CD2-CB 4.14Å; L514-L553 HydrophobicContact CD2-CD1 4.29Å; L514-L553 HydrophobicContact CG-CB 4.2Å; L517-L553 HydrophobicContact CD1-CD1 3.8Å; D549-L553 WeakPolarHBondContact O-CB 3.31Å; D549-L553 PolarHBondContact O-N 3.3Å; T550-L553 PolarHBondContact O-N 3.49Å; M551-L553 VanDerWaalsContact C-N 3.32Å; M551-L553 PolarHBondContact O-N 2.92Å; L553-Q555 VanDerWaalsContact C-N 3.27Å; L553-Q555 PolarHBondContact O-N 3.32Å; L553-R556 PolarHBondContact O-N 3.03Å; L553-L557 HydrophobicContact CD1-CD2 4.13Å; L553-L557 HydrophobicContact CD1-CG 4.26Å; L553-L557 HydrophobicContact CG-CG 4.4Å; L553-L557 WeakPolarHBondContact O-CG 3.39Å; L553-L557 PolarHBondContact O-N 3.46Å
554L93.4Very high87Confident6 Ų655.5 Ų55.53%0.03127%0.271CS..Hα-helixtrans-60.6-33.7178.7-66.6178.7000113.2L536 T550 M551 L557 P558 L581 H585 I586L536-L554 HydrophobicContact CD1-CD2 3.75Å; T550-L554 WeakPolarHBondContact O-CG 3.28Å; T550-L554 PolarHBondContact O-N 2.77Å; M551-L554 PolarHBondContact O-N 3.24Å; M551-L554 HydrophobicContact SD-CD1 4.37Å; L554-L557 HydrophobicContact CD2-CD1 4.31Å; L554-P558 WeakPolarHBondContact O-CD 3.49Å; L554-L581 HydrophobicContact CD1-CD1 3.71Å; L554-H585 HydrophobicContact CD1-CB 4.2Å; L554-I586 HydrophobicContact CD1-CD1 3.75Å; L554-I586 HydrophobicContact CD2-CD1 3.51Å; L554-I586 HydrophobicContact CG-CD1 4.28Å
555Q91.6Very high86.5Confident114 Ų11451 Ų5153%0.53326%0.257SS..Hα-helixtrans-69.7-40.2172.5-70.3169.5-22.400112.3M551 K552 L553 P558M551-Q555 WeakPolarHBondContact O-CG 3.42Å; M551-Q555 PolarHBondContact O-N 3.42Å; M551-Q555 VanDerWaalsContact O-N 3.08Å; K552-Q555 PolarHBondContact O-N 2.98Å; L553-Q555 VanDerWaalsContact C-N 3.27Å; L553-Q555 PolarHBondContact O-N 3.32Å; Q555-P558 WeakPolarHBondContact O-CD 3.29Å; Q555-P558 WeakPolarHBondContact O-CG 3.49Å
556R90.4Very high86.3Confident86 Ų8653.8 Ų53.833%0.32527%0.269SS..Hα-helixtrans-72.7-30.4-179.2-71.2-67.3-129.4162.87.3114.4L514 N518 K552 L553 E559 M560L514-R556 HydrophobicContact CD2-CG 4.4Å; N518-R556 PolarHBondContact OD1-NH2 2.93Å; K552-R556 WeakPolarHBondContact O-CB 3.41Å; K552-R556 VanDerWaalsContact O-CG 3.22Å; K552-R556 WeakPolarHBondContact O-CG 3.42Å; K552-R556 PolarHBondContact O-N 3.11Å; L553-R556 PolarHBondContact O-N 3.03Å; R556-E559 WeakPolarHBondContact CD-OE2 3.45Å; R556-E559 IonicContact CZ-OE2 3.02Å; R556-E559 IonicContact NE-OE2 2.69Å; R556-E559 IonicContact NH1-OE2 3.53Å; R556-E559 PolarHBondContact NH1-OE2 3.48Å; R556-E559 WeakPolarHBondContact O-CB 3.47Å; R556-E559 PolarHBondContact O-N 2.91Å; R556-M560 PolarHBondContact O-N 3.45Å
557L91.1Very high86.6Confident0 Ų056.4 Ų56.40%028%0.279CS..Hα-helixtrans-54.8-51.5-178.6-74-179.7000113.9I534 L536 L553 L554 E559 M560 F561 L563I534-L557 HydrophobicContact CD1-CD2 3.84Å; I534-L557 HydrophobicContact CG2-CD2 4.46Å; L536-L557 HydrophobicContact CD1-CD1 4.32Å; L553-L557 HydrophobicContact CD1-CD2 4.13Å; L553-L557 HydrophobicContact CD1-CG 4.26Å; L553-L557 HydrophobicContact CG-CG 4.4Å; L553-L557 WeakPolarHBondContact O-CG 3.39Å; L553-L557 PolarHBondContact O-N 3.46Å; L554-L557 HydrophobicContact CD2-CD1 4.31Å; L557-E559 VanDerWaalsContact C-N 3.32Å; L557-E559 PolarHBondContact O-N 2.97Å; L557-M560 PolarHBondContact O-N 3.04Å; L557-F561 HydrophobicContact CD2-CD2 3.97Å; L557-F561 HydrophobicContact CD2-CE2 4.05Å; L557-F561 WeakPolarHBondContact O-CD2 3.44Å; L557-F561 PolarHBondContact O-N 2.97Å; L557-L563 HydrophobicContact CB-CD1 4.25Å
558P90.3Very high87Confident66 Ų6654.8 Ų54.843%0.42927%0.269SS..Hα-helixtrans-69.7-21.8177.327.3-36.3000114.6L554 Q555 M560 L589L554-P558 WeakPolarHBondContact O-CD 3.49Å; Q555-P558 WeakPolarHBondContact O-CD 3.29Å; Q555-P558 WeakPolarHBondContact O-CG 3.49Å; P558-M560 PolarHBondContact O-N 3.23Å; P558-L589 HydrophobicContact CB-CD2 3.96Å; P558-L589 HydrophobicContact CG-CD2 3.9Å
559E89.3Confident87.6Confident122 Ų12252.7 Ų52.757%0.5726%0.257SS*.Hα-helixtrans-65.5-31.2172-60.7174.5-173.200111.6R556 L557R556-E559 WeakPolarHBondContact CD-OE2 3.45Å; R556-E559 IonicContact CZ-OE2 3.02Å; R556-E559 IonicContact NE-OE2 2.69Å; R556-E559 IonicContact NH1-OE2 3.53Å; R556-E559 PolarHBondContact NH1-OE2 3.48Å; R556-E559 WeakPolarHBondContact O-CB 3.47Å; R556-E559 PolarHBondContact O-N 2.91Å; L557-E559 VanDerWaalsContact C-N 3.32Å; L557-E559 PolarHBondContact O-N 2.97Å
560M85Confident88.1Confident44 Ų4450.7 Ų50.722%0.21725%0.246CC..Hα-helixtrans-107.9-25.4-170-64.4-171.264.900114.3L517 A528 R556 L557 P558L517-M560 HydrophobicContact CB-SD 4.06Å; L517-M560 HydrophobicContact CD1-SD 4.19Å; L517-M560 HydrophobicContact CD2-CE 3.62Å; L517-M560 HydrophobicContact CD2-SD 3.72Å; L517-M560 HydrophobicContact CG-SD 4.17Å; A528-M560 WeakPolarHBondContact CB-O 3.11Å; R556-M560 PolarHBondContact O-N 3.45Å; L557-M560 PolarHBondContact O-N 3.04Å; P558-M560 PolarHBondContact O-N 3.23Å
561F89.4Confident88.4Confident7 Ų750.6 Ų50.63%0.03125%0.246CC..SBendtrans-132.3137.2-171.3-54-69000112.4I451 F526 V531 I534 L557 L563I451-F561 HydrophobicContact CD1-CE1 4.37Å; I451-F561 HydrophobicContact CD1-CE2 4.2Å; I451-F561 HydrophobicContact CD1-CZ 3.72Å; F526-F561 HydrophobicContact CD1-CZ 4.41Å; V531-F561 HydrophobicContact CB-CD1 3.94Å; V531-F561 HydrophobicContact CB-CE1 3.86Å; V531-F561 HydrophobicContact CG1-CD1 4.15Å; V531-F561 HydrophobicContact CG1-CE1 4.14Å; V531-F561 HydrophobicContact CG2-CD1 4.26Å; V531-F561 HydrophobicContact CG2-CE1 3.64Å; V531-F561 HydrophobicContact CG2-CZ 4.42Å; I534-F561 HydrophobicContact CD1-CB 4.24Å; I534-F561 HydrophobicContact CD1-CD1 4.45Å; I534-F561 HydrophobicContact CD1-CD2 3.46Å; I534-F561 VanDerWaalsContact CD1-CD2 3.46Å; I534-F561 HydrophobicContact CD1-CE2 3.86Å; I534-F561 HydrophobicContact CD1-CG 3.79Å; L557-F561 HydrophobicContact CD2-CD2 3.97Å; L557-F561 HydrophobicContact CD2-CE2 4.05Å; L557-F561 WeakPolarHBondContact O-CD2 3.44Å; L557-F561 PolarHBondContact O-N 2.97Å; F561-L563 HydrophobicContact CB-CD2 4.02Å; F561-L563 HydrophobicContact CB-CG 4.4Å; F561-L563 PolarHBondContact O-N 2.97Å
562Q87.8Confident88.7Confident99 Ų9948.4 Ų48.446%0.46324%0.235SC..  trans-81.482.1177.5-69.8178.1-7.500110.5T564 K567 C568Q562-T564 VanDerWaalsContact C-N 3.28Å; Q562-T564 PolarHBondContact O-N 2.89Å; Q562-T564 PolarHBondContact O-OG1 2.68Å; Q562-K567 HydrophobicContact CB-CB 4.15Å; Q562-K567 HydrophobicContact CB-CG 4.42Å; Q562-K567 VanDerWaalsContact O-CB 3.23Å; Q562-K567 WeakPolarHBondContact O-CB 3.46Å; Q562-C568 PolarHBondContact O-N 3.07Å
563L87.4Confident89Confident16 Ų1643.7 Ų43.78%0.08422%0.215CC..  trans-72.774.5-176.1-57.5178.8000112.4I534 L557 F561 C568 L570 L589I534-L563 HydrophobicContact CD1-CD2 4.32Å; L557-L563 HydrophobicContact CB-CD1 4.25Å; F561-L563 HydrophobicContact CB-CD2 4.02Å; F561-L563 HydrophobicContact CB-CG 4.4Å; F561-L563 PolarHBondContact O-N 2.97Å; L563-C568 HydrophobicContact CD2-CB 4.09Å; L563-L570 HydrophobicContact CD1-CD2 4.47Å; L563-L589 HydrophobicContact CD1-CB 3.86Å; L563-L589 HydrophobicContact CD1-CD1 4.07Å; L563-L589 HydrophobicContact CD1-CD2 4.22Å; L563-L589 HydrophobicContact CD1-CG 4.27Å
564T79.1Confident89.1Confident65 Ų6543.6 Ų43.640%0.39921%0.214SC..SBendtrans-143.3158.7-177.152.60000110.7Q562 N566 K567 C568Q562-T564 VanDerWaalsContact C-N 3.28Å; Q562-T564 PolarHBondContact O-N 2.89Å; Q562-T564 PolarHBondContact O-OG1 2.68Å; T564-N566 PolarHBondContact O-N 2.7Å; T564-K567 PolarHBondContact O-N 3.32Å; T564-K567 VanDerWaalsContact O-N 3.1Å; T564-K567 WeakPolarHBondContact OG1-CB 3.41Å; T564-K567 WeakPolarHBondContact OG1-CG 3.5Å; T564-C568 PolarHBondContact N-O 2.66Å; T564-C568 PolarHBondContact O-N 3.27Å
565Q70.3Confident89Confident62 Ų6246.8 Ų46.829%0.2923%0.226SC..THydrogen-bonded Turntrans-54.9137.2177.1-167.1-174.3-23.300110.8K410 K567K410-Q565 HydrophobicContact CG-CG 4.37Å; Q565-K567 PolarHBondContact O-N 3.48Å
566N73.8Confident89Confident129 Ų12943.1 Ų43.169%0.6921%0.209SC*.THydrogen-bonded Turntrans66.32.8-177.1-46.3-33.2000116.1T564T564-N566 PolarHBondContact O-N 2.7Å
567K85.6Confident89.1Confident88 Ų8839.1 Ų39.138%0.38319%0.194SC..THydrogen-bonded Turntrans-107.5-78.2172.3-71.2-62.7-162.3172.30111.5Q529 Q562 T564 Q565Q529-K567 VanDerWaalsContact OE1-NZ 3.08Å; Q562-K567 HydrophobicContact CB-CB 4.15Å; Q562-K567 HydrophobicContact CB-CG 4.42Å; Q562-K567 VanDerWaalsContact O-CB 3.23Å; Q562-K567 WeakPolarHBondContact O-CB 3.46Å; T564-K567 PolarHBondContact O-N 3.32Å; T564-K567 VanDerWaalsContact O-N 3.1Å; T564-K567 WeakPolarHBondContact OG1-CB 3.41Å; T564-K567 WeakPolarHBondContact OG1-CG 3.5Å; Q565-K567 PolarHBondContact O-N 3.48Å
568C91.4Very high89Confident1 Ų140.2 Ų40.21%0.00720%0.2CC..  trans-133.2112.4176.3-178.30000109.7K532 Q562 L563 T564K532-C568 CarbonylContact O-C 3.6Å; K532-C568 WeakPolarHBondContact O-CA 3.43Å; Q562-C568 PolarHBondContact O-N 3.07Å; L563-C568 HydrophobicContact CD2-CB 4.09Å; T564-C568 PolarHBondContact N-O 2.66Å; T564-C568 PolarHBondContact O-N 3.27Å
569Q93.1Very high88.9Confident11 Ų1139.8 Ų39.85%0.05120%0.196CC..EExtended strand (participates in β ladder)trans-73.8135.8176.7-172175.413.200110V406 K410 K532 C533 I534 L571V406-Q569 PolarHBondContact O-NE2 3.32Å; K410-Q569 PolarHBondContact O-NE2 3.27Å; K532-Q569 PolarHBondContact O-N 3.39Å; C533-Q569 CarbonylContact C-O 3.54Å; C533-Q569 WeakPolarHBondContact CA-O 3.29Å; I534-Q569 PolarHBondContact N-O 2.55Å; Q569-L571 HydrophobicContact CG-CD2 3.91Å; Q569-L571 HydrophobicContact CG-CG 4.36Å
570L96.1Very high88.7Confident0 Ų036.2 Ų36.20%018%0.18CC..EExtended strand (participates in β ladder)trans-107.6128.8172.6-173.160.8000109.7S411 V412 I534 L536 L563 V572 L589 M590S411-L570 WeakPolarHBondContact CA-O 3.49Å; S411-L570 WeakPolarHBondContact CB-O 3.38Å; S411-L570 PolarHBondContact OG-N 3.39Å; S411-L570 VanDerWaalsContact OG-N 3.14Å; S411-L570 PolarHBondContact OG-O 3.22Å; V412-L570 PolarHBondContact N-O 3.44Å; I534-L570 HydrophobicContact CB-CD1 3.99Å; I534-L570 HydrophobicContact CG2-CD1 4.02Å; I534-L570 WeakPolarHBondContact O-CA 3.44Å; L536-L570 HydrophobicContact CD1-CD1 4.3Å; L536-L570 HydrophobicContact CG-CD1 4.33Å; L563-L570 HydrophobicContact CD1-CD2 4.47Å; L570-V572 HydrophobicContact CD1-CG2 4.4Å; L570-V572 HydrophobicContact CD2-CG2 4.27Å; L570-V572 HydrophobicContact CG-CG2 3.92Å; L570-L589 HydrophobicContact CD2-CB 3.78Å; L570-L589 HydrophobicContact CD2-CD1 4.29Å; L570-M590 HydrophobicContact CB-CE 4.42Å; L570-M590 HydrophobicContact CB-CG 4.2Å; L570-M590 HydrophobicContact CD2-CG 3.72Å; L570-M590 HydrophobicContact CD2-SD 4.18Å; L570-M590 HydrophobicContact CG-CE 4.4Å; L570-M590 HydrophobicContact CG-CG 4.26Å; L570-M590 HydrophobicContact CG-SD 4.49Å; L570-M590 WeakPolarHBondContact O-CE 3.27Å
571L97.2Very high88.9Confident0 Ų034.4 Ų34.40%017%0.172CC..EExtended strand (participates in β ladder)trans-120.6122-179.4-53.6171.3000107.9V406 V412 Y426 V430 C533 I534 A535 L536 Q569V406-L571 HydrophobicContact CG1-CD2 4.01Å; V406-L571 HydrophobicContact CG2-CD2 4.17Å; V412-L571 HydrophobicContact CG1-CD2 3.77Å; Y426-L571 HydrophobicContact CD1-CB 4.46Å; Y426-L571 HydrophobicContact CD2-CB 4.24Å; Y426-L571 HydrophobicContact CD2-CD1 3.71Å; Y426-L571 HydrophobicContact CE2-CB 4.48Å; Y426-L571 HydrophobicContact CG-CB 4.22Å; Y426-L571 HydrophobicContact CG-CD1 3.92Å; Y426-L571 HydrophobicContact CG-CG 4.48Å; V430-L571 HydrophobicContact CG2-CD1 3.34Å; C533-L571 WeakPolarHBondContact SG-CD1 3.22Å; I534-L571 PolarHBondContact O-N 3.05Å; A535-L571 CarbonylContact C-O 3.55Å; A535-L571 WeakPolarHBondContact CA-O 3.37Å; A535-L571 HydrophobicContact CB-CB 4.18Å; A535-L571 HydrophobicContact CB-CD1 4.37Å; L536-L571 PolarHBondContact N-O 2.75Å; Q569-L571 HydrophobicContact CG-CD2 3.91Å; Q569-L571 HydrophobicContact CG-CG 4.36Å
572V97.3Very high89Confident0 Ų034 Ų340%017%0.17CC..EExtended strand (participates in β ladder)trans-128.5136.2-175.8-173.20000109.9V412 L413 V414 L536 L539 L570 I586 M590V412-V572 PolarHBondContact O-N 3.35Å; L413-V572 CarbonylContact C-O 3.51Å; L413-V572 WeakPolarHBondContact CA-O 3.31Å; L413-V572 HydrophobicContact CD1-CB 3.69Å; L413-V572 HydrophobicContact CD1-CG1 3.57Å; V414-V572 PolarHBondContact N-O 3.16Å; L536-V572 HydrophobicContact CB-CG2 4.45Å; L536-V572 HydrophobicContact CD1-CG2 4.43Å; L539-V572 HydrophobicContact CB-CG1 4.12Å; L539-V572 HydrophobicContact CD2-CG1 3.81Å; L570-V572 HydrophobicContact CD1-CG2 4.4Å; L570-V572 HydrophobicContact CD2-CG2 4.27Å; L570-V572 HydrophobicContact CG-CG2 3.92Å; V572-I586 HydrophobicContact CB-CG2 4.5Å; V572-I586 HydrophobicContact CG1-CG2 4.38Å; V572-I586 HydrophobicContact CG2-CG2 4.01Å; V572-M590 HydrophobicContact CB-CE 4.45Å; V572-M590 HydrophobicContact CG2-CE 3.96Å; V572-M590 HydrophobicContact CG2-SD 4.02Å
573S96.6Very high89Confident0 Ų031.3 Ų31.30%016%0.16CC..EExtended strand (participates in β ladder)trans-128139.5177.4142.60000109.7V414 K422 L536 D537 N538 L539V414-S573 CarbonylContact O-C 3.53Å; V414-S573 WeakPolarHBondContact O-CA 3.27Å; K422-S573 VanDerWaalsContact CE-OG 3.27Å; K422-S573 WeakPolarHBondContact CE-OG 3.4Å; L536-S573 PolarHBondContact O-N 2.83Å; D537-S573 WeakPolarHBondContact OD1-CB 3.44Å; D537-S573 PolarHBondContact OD1-OG 3.49Å; N538-S573 CarbonylContact C-O 3.57Å; N538-S573 VanDerWaalsContact CA-O 3.23Å; N538-S573 WeakPolarHBondContact CA-O 3.24Å; N538-S573 PolarHBondContact N-O 3.48Å; N538-S573 VanDerWaalsContact N-O 3.07Å; N538-S573 PolarHBondContact N-OG 3.14Å; L539-S573 PolarHBondContact N-O 3.18Å
574G94.7Very high89Confident0 Ų036.2 Ų36.20%018%0.182CC..EExtended strand (participates in β ladder)trans-146163.2-175.700000113.2V414 G416 K422 N540V414-G574 PolarHBondContact O-N 3.09Å; G416-G574 PolarHBondContact N-O 3.31Å; G416-G574 VanDerWaalsContact N-O 3.15Å; K422-G574 WeakPolarHBondContact CD-O 3.43Å; K422-G574 WeakPolarHBondContact CE-O 3.44Å; K422-G574 PolarHBondContact NZ-O 3.04Å; K422-G574 VanDerWaalsContact NZ-O 3.09Å; N540-G574 WeakPolarHBondContact OD1-CA 3.43Å
575R91.3Very high89.5Confident72 Ų7235.9 Ų35.927%0.27218%0.176SC..SBendtrans-97.2-31.8168.9-57.8-170.2-160.2-164.68.2112.9G416 N540 D541G416-R575 WeakPolarHBondContact O-CA 3.49Å; N540-R575 PolarHBondContact OD1-N 3.34Å; D541-R575 IonicContact OD1-CZ 2.7Å; D541-R575 IonicContact OD1-NE 3.63Å; D541-R575 IonicContact OD1-NH2 2.72Å; D541-R575 PolarHBondContact OD1-NH2 3.42Å; D541-R575 IonicContact OD2-CZ 2.71Å; D541-R575 VanDerWaalsContact OD2-CZ 3.27Å; D541-R575 IonicContact OD2-NE 3.73Å; D541-R575 PolarHBondContact OD2-NE 3.5Å; D541-R575 VanDerWaalsContact OD2-NE 3.08Å; D541-R575 IonicContact OD2-NH2 2.79Å; D541-R575 PolarHBondContact OD2-NH2 3.19Å
576I91.9Very high90.6Very high37 Ų3733 Ų3319%0.1916%0.163CC..SBendtrans-134136.4-165.9-59.9166000109.1N540 H578 E602 K762 H763N540-I576 PolarHBondContact ND2-O 2.91Å; N540-I576 PolarHBondContact OD1-N 3.26Å; N540-I576 PolarHBondContact OD1-O 2.85Å; I576-H578 PolarHBondContact O-N 2.75Å; I576-H578 VanDerWaalsContact O-N 3.12Å; I576-E602 VanDerWaalsContact CA-OE2 3.26Å; I576-E602 WeakPolarHBondContact CA-OE2 3.17Å; I576-K762 HydrophobicContact CD1-CD 3.99Å; I576-K762 HydrophobicContact CD1-CG 4.45Å; I576-H763 WeakPolarHBondContact CG2-CE1 3.49Å
577W92.3Very high91.4Very high3 Ų327.4 Ų27.41%0.01113%0.133CC..  trans-78.784.3170.6-174-95.6000111.1L413 V415 T579 M582 V583 L587 V595 F597 E602 Y606 H763L413-W577 HydrophobicContact CD2-CH2 4.14Å; L413-W577 HydrophobicContact CD2-CZ3 3.64Å; V415-W577 HydrophobicContact CG2-CE3 4.12Å; W577-T579 PolarHBondContact NE1-OG1 2.96Å; W577-T579 PolarHBondContact O-N 2.64Å; W577-M582 HydrophobicContact CD2-CB 4.33Å; W577-M582 HydrophobicContact CD2-CG 4.13Å; W577-M582 HydrophobicContact CE3-CB 4.27Å; W577-M582 HydrophobicContact CE3-CG 3.93Å; W577-M582 HydrophobicContact CH2-CB 3.58Å; W577-M582 HydrophobicContact CH2-CG 4.13Å; W577-M582 HydrophobicContact CZ2-CB 3.58Å; W577-M582 HydrophobicContact CZ2-CG 4.28Å; W577-M582 HydrophobicContact CZ3-CB 3.94Å; W577-M582 HydrophobicContact CZ3-CG 3.96Å; W577-V583 HydrophobicContact CZ2-CG2 4.18Å; W577-L587 HydrophobicContact CH2-CD1 4.12Å; W577-V595 HydrophobicContact CZ3-CG1 4.04Å; W577-F597 HydrophobicContact CB-CE1 4.13Å; W577-F597 AromaticContact CD2-CE1 3.89Å; W577-F597 HydrophobicContact CD2-CE1 3.89Å; W577-F597 AromaticContact CD2-CZ 3.9Å; W577-F597 HydrophobicContact CD2-CZ 3.9Å; W577-F597 AromaticContact CE3-CE1 3.44Å; W577-F597 HydrophobicContact CE3-CE1 3.44Å; W577-F597 VanDerWaalsContact CE3-CE1 3.44Å; W577-F597 AromaticContact CE3-CZ 3.37Å; W577-F597 HydrophobicContact CE3-CZ 3.37Å; W577-F597 HydrophobicContact CG-CE1 4.15Å; W577-F597 HydrophobicContact CH2-CZ 4.42Å; W577-F597 HydrophobicContact CZ3-CE1 4.16Å; W577-F597 AromaticContact CZ3-CZ 3.65Å; W577-F597 HydrophobicContact CZ3-CZ 3.65Å; W577-E602 PolarHBondContact N-OE2 2.72Å; W577-Y606 HydrophobicContact CD2-CD2 4.35Å; W577-Y606 AromaticContact CE2-CD2 3.75Å; W577-Y606 AromaticContact CH2-CD2 3.84Å; W577-Y606 HydrophobicContact CH2-CD2 3.84Å; W577-Y606 HydrophobicContact CH2-CE2 4.24Å; W577-Y606 AromaticContact CZ2-CD2 3.5Å; W577-Y606 HydrophobicContact CZ2-CD2 3.5Å; W577-Y606 VanDerWaalsContact CZ2-CD2 3.5Å; W577-Y606 HydrophobicContact CZ2-CE2 4.17Å; W577-Y606 HydrophobicContact CZ2-CG 4.46Å; W577-Y606 HydrophobicContact CZ3-CD2 4.39Å; W577-H763 PolarHBondContact O-CE1 2.99Å; W577-H763 VanDerWaalsContact O-CE1 3.25Å; W577-H763 PolarHBondContact O-ND1 3.08Å
578H88.6Confident91.6Very high23 Ų2327.3 Ų27.311%0.10614%0.141CC..  trans-81.498.5171.7-176.9-97.5000110.2I576 D580 L581 M582 R1022I576-H578 PolarHBondContact O-N 2.75Å; I576-H578 VanDerWaalsContact O-N 3.12Å; H578-D580 WeakPolarHBondContact NE2-CB 3.44Å; H578-D580 IonicContact NE2-OD2 3.29Å; H578-D580 PolarHBondContact NE2-OD2 3.05Å; H578-D580 PolarHBondContact O-N 2.99Å; H578-L581 HydrophobicContact CB-CB 4.19Å; H578-L581 WeakPolarHBondContact CE1-CA 3.11Å; H578-L581 WeakPolarHBondContact CE1-CB 3.42Å; H578-L581 PolarHBondContact CE1-N 2.75Å; H578-L581 WeakPolarHBondContact ND1-CB 3.05Å; H578-L581 PolarHBondContact ND1-N 2.69Å; H578-L581 PolarHBondContact NE2-N 3.03Å; H578-L581 PolarHBondContact O-N 2.88Å; H578-L581 VanDerWaalsContact O-N 3.12Å; H578-M582 WeakPolarHBondContact O-CG 3.4Å; H578-M582 PolarHBondContact O-N 2.93Å; H578-R1022 PolarHBondContact CD2-NH1 3.32Å; H578-R1022 PolarHBondContact NE2-NH2 3.37Å
579T88.3Confident91.6Very high56 Ų5628.3 Ų28.334%0.34415%0.146SC..Hα-helixtrans-49.1-52.9-169.4-58.80000114W577 L581 M582 V583W577-T579 PolarHBondContact NE1-OG1 2.96Å; W577-T579 PolarHBondContact O-N 2.64Å; T579-L581 VanDerWaalsContact C-N 3.34Å; T579-L581 PolarHBondContact O-N 3.49Å; T579-M582 PolarHBondContact O-N 2.94Å; T579-V583 HydrophobicContact CG2-CG2 4.04Å; T579-V583 VanDerWaalsContact O-CB 3.31Å; T579-V583 WeakPolarHBondContact O-CB 3.35Å; T579-V583 WeakPolarHBondContact O-CG2 3.47Å; T579-V583 PolarHBondContact O-N 2.67Å
580D85.4Confident91.5Very high47 Ų4727.9 Ų27.925%0.25115%0.145SC..Hα-helixtrans-62.4-42.5-177-32.5-40.5000111.6H578 Q584 K764H578-D580 WeakPolarHBondContact NE2-CB 3.44Å; H578-D580 IonicContact NE2-OD2 3.29Å; H578-D580 PolarHBondContact NE2-OD2 3.05Å; H578-D580 PolarHBondContact O-N 2.99Å; D580-Q584 WeakPolarHBondContact O-CA 3.46Å; D580-Q584 WeakPolarHBondContact O-CB 3.42Å; D580-Q584 WeakPolarHBondContact O-CG 3.37Å; D580-Q584 PolarHBondContact O-N 2.92Å; D580-K764 WeakPolarHBondContact OD2-CE 3.42Å; D580-K764 IonicContact OD2-NZ 2.71Å; D580-K764 PolarHBondContact OD2-NZ 3.16Å
581L89.2Confident90.8Very high6 Ų630.5 Ų30.53%0.03116%0.161CC..Iπ-helixtrans-62.3-49.5178.9174.869.7000110.4L539 V543 M551 L554 H578 T579 H585 I586L539-L581 HydrophobicContact CD2-CD2 3.98Å; L539-L581 HydrophobicContact CD2-CG 4.38Å; L539-L581 HydrophobicContact CG-CD2 4.19Å; V543-L581 HydrophobicContact CG2-CD1 4.29Å; V543-L581 HydrophobicContact CG2-CD2 3.84Å; M551-L581 HydrophobicContact CE-CD1 4.49Å; M551-L581 HydrophobicContact SD-CD1 3.9Å; L554-L581 HydrophobicContact CD1-CD1 3.71Å; H578-L581 HydrophobicContact CB-CB 4.19Å; H578-L581 WeakPolarHBondContact CE1-CA 3.11Å; H578-L581 WeakPolarHBondContact CE1-CB 3.42Å; H578-L581 PolarHBondContact CE1-N 2.75Å; H578-L581 WeakPolarHBondContact ND1-CB 3.05Å; H578-L581 PolarHBondContact ND1-N 2.69Å; H578-L581 PolarHBondContact NE2-N 3.03Å; H578-L581 PolarHBondContact O-N 2.88Å; H578-L581 VanDerWaalsContact O-N 3.12Å; T579-L581 VanDerWaalsContact C-N 3.34Å; T579-L581 PolarHBondContact O-N 3.49Å; L581-H585 WeakPolarHBondContact O-CB 3.32Å; L581-H585 PolarHBondContact O-N 3.49Å; L581-H585 VanDerWaalsContact O-N 3.16Å; L581-I586 HydrophobicContact CG-CG1 4.43Å; L581-I586 PolarHBondContact O-N 2.98Å
582M91.1Very high90.2Very high0 Ų032 Ų320%017%0.169CC..Iπ-helixtrans-68.9-46.7-175.4-62.8-59.9174.900111.2L413 L539 W577 H578 T579 I586 L587L413-M582 HydrophobicContact CD1-CE 4.47Å; L413-M582 HydrophobicContact CD1-SD 4.06Å; L413-M582 HydrophobicContact CD2-SD 4.08Å; L539-M582 HydrophobicContact CD2-CE 4.27Å; L539-M582 HydrophobicContact CD2-SD 4.48Å; W577-M582 HydrophobicContact CD2-CB 4.33Å; W577-M582 HydrophobicContact CD2-CG 4.13Å; W577-M582 HydrophobicContact CE3-CB 4.27Å; W577-M582 HydrophobicContact CE3-CG 3.93Å; W577-M582 HydrophobicContact CH2-CB 3.58Å; W577-M582 HydrophobicContact CH2-CG 4.13Å; W577-M582 HydrophobicContact CZ2-CB 3.58Å; W577-M582 HydrophobicContact CZ2-CG 4.28Å; W577-M582 HydrophobicContact CZ3-CB 3.94Å; W577-M582 HydrophobicContact CZ3-CG 3.96Å; H578-M582 WeakPolarHBondContact O-CG 3.4Å; H578-M582 PolarHBondContact O-N 2.93Å; T579-M582 PolarHBondContact O-N 2.94Å; M582-I586 PolarHBondContact O-N 3.35Å; M582-I586 HydrophobicContact SD-CB 4.36Å; M582-I586 HydrophobicContact SD-CG1 4.19Å; M582-I586 HydrophobicContact SD-CG2 4.48Å; M582-L587 WeakPolarHBondContact O-CB 3.3Å; M582-L587 WeakPolarHBondContact O-CG 3.18Å; M582-L587 PolarHBondContact O-N 2.9Å
583V88Confident89.9Confident41 Ų4132.1 Ų32.125%0.24817%0.17CC..Iπ-helixtrans-77.9-39.9-174.5179.10000112.7W577 T579 L587 P588W577-V583 HydrophobicContact CZ2-CG2 4.18Å; T579-V583 HydrophobicContact CG2-CG2 4.04Å; T579-V583 VanDerWaalsContact O-CB 3.31Å; T579-V583 WeakPolarHBondContact O-CB 3.35Å; T579-V583 WeakPolarHBondContact O-CG2 3.47Å; T579-V583 PolarHBondContact O-N 2.67Å; V583-L587 HydrophobicContact CG2-CD1 4.41Å; V583-P588 WeakPolarHBondContact O-CD 3.37Å; V583-P588 WeakPolarHBondContact O-CG 3.44Å
584Q87.6Confident89.8Confident119 Ų11932.1 Ų32.156%0.55617%0.17SC*.Iπ-helixtrans-89.3-26.5-174.4-55175.8-6.100113.3D580D580-Q584 WeakPolarHBondContact O-CA 3.46Å; D580-Q584 WeakPolarHBondContact O-CB 3.42Å; D580-Q584 WeakPolarHBondContact O-CG 3.37Å; D580-Q584 PolarHBondContact O-N 2.92Å
585H89.9Confident89.8Confident59 Ų5932.2 Ų32.227%0.27317%0.171SC..Iπ-helixtrans-125.1-22.7-170.6-57-72.9000115.7M551 L554 L581 L589M551-H585 HydrophobicContact CE-CB 4.27Å; M551-H585 WeakPolarHBondContact CE-CD2 3.39Å; M551-H585 WeakPolarHBondContact CE-NE2 3.36Å; L554-H585 HydrophobicContact CD1-CB 4.2Å; L581-H585 WeakPolarHBondContact O-CB 3.32Å; L581-H585 PolarHBondContact O-N 3.49Å; L581-H585 VanDerWaalsContact O-N 3.16Å; H585-L589 VanDerWaalsContact O-CD1 3.31Å; H585-L589 WeakPolarHBondContact O-CD1 3.38Å; H585-L589 WeakPolarHBondContact O-CG 3.38Å
586I93.4Very high90.1Very high0 Ų028.8 Ų28.80%016%0.158CC..Iπ-helixtrans-103.3-58.2-177.6-60.2-61.6000112.1L539 L554 V572 L581 M582 P588 L589 M590L539-I586 HydrophobicContact CD2-CD1 3.53Å; L539-I586 HydrophobicContact CD2-CG1 3.69Å; L554-I586 HydrophobicContact CD1-CD1 3.75Å; L554-I586 HydrophobicContact CD2-CD1 3.51Å; L554-I586 HydrophobicContact CG-CD1 4.28Å; V572-I586 HydrophobicContact CB-CG2 4.5Å; V572-I586 HydrophobicContact CG1-CG2 4.38Å; V572-I586 HydrophobicContact CG2-CG2 4.01Å; L581-I586 HydrophobicContact CG-CG1 4.43Å; L581-I586 PolarHBondContact O-N 2.98Å; M582-I586 PolarHBondContact O-N 3.35Å; M582-I586 HydrophobicContact SD-CB 4.36Å; M582-I586 HydrophobicContact SD-CG1 4.19Å; M582-I586 HydrophobicContact SD-CG2 4.48Å; I586-P588 VanDerWaalsContact C-CD 3.4Å; I586-P588 VanDerWaalsContact C-N 3.34Å; I586-L589 WeakPolarHBondContact O-CB 3.43Å; I586-L589 PolarHBondContact O-N 2.73Å; I586-M590 HydrophobicContact CG2-SD 3.49Å; I586-M590 WeakPolarHBondContact CG2-SD 3.47Å; I586-M590 WeakPolarHBondContact O-CG 3.06Å
587L91.2Very high90.2Very high13 Ų1327.1 Ų27.17%0.06815%0.149CC..G310 helixtrans-57.5-35-178.1-67.4178.3000114.4F345 L413 W577 M582 V583 L589 M590 V593 V595F345-L587 HydrophobicContact CE2-CD1 4.11Å; F345-L587 HydrophobicContact CZ-CB 3.98Å; F345-L587 HydrophobicContact CZ-CD1 3.73Å; F345-L587 HydrophobicContact CZ-CG 4.49Å; L413-L587 HydrophobicContact CD2-CD2 4.03Å; W577-L587 HydrophobicContact CH2-CD1 4.12Å; M582-L587 WeakPolarHBondContact O-CB 3.3Å; M582-L587 WeakPolarHBondContact O-CG 3.18Å; M582-L587 PolarHBondContact O-N 2.9Å; V583-L587 HydrophobicContact CG2-CD1 4.41Å; L587-L589 PolarHBondContact O-N 2.66Å; L587-M590 PolarHBondContact O-N 2.93Å; L587-V593 HydrophobicContact CD2-CG1 4.02Å; L587-V595 HydrophobicContact CD2-CG2 4.1Å
588P90.1Very high90.3Very high86 Ų8629.3 Ų29.356%0.55816%0.161SC*.G310 helixtrans-61.2-23174.3-25.837.2000113.8V583 I586 M590V583-P588 WeakPolarHBondContact O-CD 3.37Å; V583-P588 WeakPolarHBondContact O-CG 3.44Å; I586-P588 VanDerWaalsContact C-CD 3.4Å; I586-P588 VanDerWaalsContact C-N 3.34Å; P588-M590 VanDerWaalsContact C-N 3.31Å
589L90.6Very high90.5Very high22 Ų2228.4 Ų28.412%0.11516%0.157CC..G310 helixtrans-87.53.5176.7-49.7-178000113P558 L563 L570 H585 I586 L587P558-L589 HydrophobicContact CB-CD2 3.96Å; P558-L589 HydrophobicContact CG-CD2 3.9Å; L563-L589 HydrophobicContact CD1-CB 3.86Å; L563-L589 HydrophobicContact CD1-CD1 4.07Å; L563-L589 HydrophobicContact CD1-CD2 4.22Å; L563-L589 HydrophobicContact CD1-CG 4.27Å; L570-L589 HydrophobicContact CD2-CB 3.78Å; L570-L589 HydrophobicContact CD2-CD1 4.29Å; H585-L589 VanDerWaalsContact O-CD1 3.31Å; H585-L589 WeakPolarHBondContact O-CD1 3.38Å; H585-L589 WeakPolarHBondContact O-CG 3.38Å; I586-L589 WeakPolarHBondContact O-CB 3.43Å; I586-L589 PolarHBondContact O-N 2.73Å; L587-L589 PolarHBondContact O-N 2.66Å
590M91Very high90.8Very high2 Ų225.9 Ų25.91%0.0114%0.142CC..  trans-13868.6-169.2-51175.683.100111.6V412 L413 L570 V572 I586 L587 P588 D592 V593V412-M590 VanDerWaalsContact O-CE 3.3Å; V412-M590 WeakPolarHBondContact O-CE 3.26Å; L413-M590 HydrophobicContact CB-CE 4.23Å; L570-M590 HydrophobicContact CB-CE 4.42Å; L570-M590 HydrophobicContact CB-CG 4.2Å; L570-M590 HydrophobicContact CD2-CG 3.72Å; L570-M590 HydrophobicContact CD2-SD 4.18Å; L570-M590 HydrophobicContact CG-CE 4.4Å; L570-M590 HydrophobicContact CG-CG 4.26Å; L570-M590 HydrophobicContact CG-SD 4.49Å; L570-M590 WeakPolarHBondContact O-CE 3.27Å; V572-M590 HydrophobicContact CB-CE 4.45Å; V572-M590 HydrophobicContact CG2-CE 3.96Å; V572-M590 HydrophobicContact CG2-SD 4.02Å; I586-M590 HydrophobicContact CG2-SD 3.49Å; I586-M590 WeakPolarHBondContact CG2-SD 3.47Å; I586-M590 WeakPolarHBondContact O-CG 3.06Å; L587-M590 PolarHBondContact O-N 2.93Å; P588-M590 VanDerWaalsContact C-N 3.31Å; M590-D592 VanDerWaalsContact C-N 3.29Å; M590-D592 PolarHBondContact O-N 2.81Å; M590-V593 HydrophobicContact CB-CB 3.78Å; M590-V593 HydrophobicContact CB-CG1 4.49Å; M590-V593 HydrophobicContact CB-CG2 4.21Å; M590-V593 HydrophobicContact CE-CG2 3.78Å; M590-V593 WeakPolarHBondContact O-CB 3.28Å; M590-V593 WeakPolarHBondContact O-CG1 3.29Å; M590-V593 PolarHBondContact O-N 3.29Å; M590-V593 HydrophobicContact SD-CG2 4.19Å
591P81.3Confident91.3Very high54 Ų5423.8 Ų23.835%0.35113%0.13SC..THydrogen-bonded Turntrans-56.4-39.4-175.520.5-32.1000114R362R362-P591 WeakPolarHBondContact CD-O 3.31Å; R362-P591 PolarHBondContact NE-O 2.96Å
592D83.7Confident91.6Very high31 Ų3124.1 Ų24.117%0.16613%0.132CC..THydrogen-bonded Turntrans-10737.2-176.1-59.2-72.5000113.1H363 H405 M590H363-D592 IonicContact CD2-OD1 3Å; H363-D592 IonicContact CE1-OD1 3.69Å; H363-D592 IonicContact NE2-OD1 3.84Å; H363-D592 PolarHBondContact NE2-OD1 3.18Å; H405-D592 PolarHBondContact NE2-O 3.33Å; M590-D592 VanDerWaalsContact C-N 3.29Å; M590-D592 PolarHBondContact O-N 2.81Å
593V92.2Very high91.7Very high4 Ų424.1 Ų24.12%0.02413%0.132CC..  trans-67.9138.2-177.3670000113.5W360 S411 L413 L587 M590 V595W360-V593 HydrophobicContact CZ3-CG1 4.09Å; S411-V593 WeakPolarHBondContact O-CA 3.45Å; L413-V593 HydrophobicContact CB-CG2 3.97Å; L587-V593 HydrophobicContact CD2-CG1 4.02Å; M590-V593 HydrophobicContact CB-CB 3.78Å; M590-V593 HydrophobicContact CB-CG1 4.49Å; M590-V593 HydrophobicContact CB-CG2 4.21Å; M590-V593 HydrophobicContact CE-CG2 3.78Å; M590-V593 WeakPolarHBondContact O-CB 3.28Å; M590-V593 WeakPolarHBondContact O-CG1 3.29Å; M590-V593 PolarHBondContact O-N 3.29Å; M590-V593 HydrophobicContact SD-CG2 4.19Å; V593-V595 HydrophobicContact CG1-CG2 3.97Å; V593-V595 HydrophobicContact CG2-CG2 3.9Å
594L94.7Very high91.9Very high0 Ų022.3 Ų22.30%012%0.121CC..EExtended strand (participates in β ladder)trans-97.5115.6153.8169.566.8000108.2W360 V365 F401 H405 S411 V412 L413 L596W360-L594 CarbonylContact O-C 3.58Å; W360-L594 WeakPolarHBondContact O-CA 3.38Å; V365-L594 HydrophobicContact CG2-CD1 4.26Å; V365-L594 HydrophobicContact CG2-CD2 4.35Å; F401-L594 HydrophobicContact CB-CD2 4.09Å; F401-L594 WeakPolarHBondContact O-CD2 3.46Å; H405-L594 HydrophobicContact CB-CB 4.5Å; H405-L594 HydrophobicContact CB-CD2 3.66Å; H405-L594 WeakPolarHBondContact CD2-CB 3.43Å; H405-L594 VanDerWaalsContact NE2-CB 3.31Å; H405-L594 WeakPolarHBondContact NE2-CB 3.34Å; H405-L594 PolarHBondContact NE2-N 3.37Å; S411-L594 PolarHBondContact O-N 3.19Å; V412-L594 WeakPolarHBondContact CA-O 3.17Å; V412-L594 HydrophobicContact CG2-CB 4.22Å; V412-L594 HydrophobicContact CG2-CD2 4.25Å; V412-L594 HydrophobicContact CG2-CG 4.28Å; V412-L594 WeakPolarHBondContact CG2-O 3.19Å; L413-L594 PolarHBondContact N-O 3.2Å; L594-L596 HydrophobicContact CD1-CD2 3.74Å; L594-L596 HydrophobicContact CD1-CG 4.32Å; L594-L596 HydrophobicContact CD2-CD1 4.11Å; L594-L596 HydrophobicContact CD2-CD2 4.08Å; L594-L596 HydrophobicContact CD2-CG 4.14Å; L594-L596 HydrophobicContact CG-CD1 4.41Å; L594-L596 HydrophobicContact CG-CD2 3.87Å; L594-L596 HydrophobicContact CG-CG 3.92Å
595V95.1Very high92Very high1 Ų118 Ų181%0.00610%0.103CC..EExtended strand (participates in β ladder)trans-94.1129.9172.8-170.70000108.3G359 W360 L413 W577 L587 V593 F597G359-V595 CarbonylContact C-O 3.58Å; G359-V595 VanDerWaalsContact CA-O 3.27Å; G359-V595 WeakPolarHBondContact CA-O 3.36Å; W360-V595 HydrophobicContact CE3-CG2 4.24Å; W360-V595 PolarHBondContact N-O 3.37Å; W360-V595 PolarHBondContact O-N 3.41Å; L413-V595 HydrophobicContact CD2-CG1 4.27Å; L413-V595 HydrophobicContact CD2-CG2 4.49Å; L413-V595 HydrophobicContact CG-CG1 4.33Å; L413-V595 CarbonylContact O-C 3.6Å; L413-V595 WeakPolarHBondContact O-CA 3.09Å; W577-V595 HydrophobicContact CZ3-CG1 4.04Å; L587-V595 HydrophobicContact CD2-CG2 4.1Å; V593-V595 HydrophobicContact CG1-CG2 3.97Å; V593-V595 HydrophobicContact CG2-CG2 3.9Å; V595-F597 HydrophobicContact CG1-CD2 4.2Å; V595-F597 HydrophobicContact CG1-CE2 3.44Å; V595-F597 VanDerWaalsContact CG1-CE2 3.44Å; V595-F597 HydrophobicContact CG1-CZ 3.82Å
596L96Very high92Very high0 Ų016.4 Ų16.40%010%0.095CC..EExtended strand (participates in β ladder)trans-126.4131.2179.5-62.7178.3000111V357 L358 V398 F401 A402 V412 L413 V414 V415 L594V357-L596 HydrophobicContact CG1-CB 4.36Å; V357-L596 HydrophobicContact CG1-CD2 4.02Å; L358-L596 CarbonylContact O-C 3.52Å; L358-L596 WeakPolarHBondContact O-CA 3.41Å; V398-L596 HydrophobicContact CB-CD1 4.17Å; V398-L596 HydrophobicContact CG1-CB 4.38Å; V398-L596 WeakPolarHBondContact O-CD1 3.29Å; F401-L596 HydrophobicContact CB-CD1 4.1Å; F401-L596 HydrophobicContact CB-CD2 3.82Å; F401-L596 HydrophobicContact CD2-CD2 4.42Å; F401-L596 HydrophobicContact CG-CD2 4.25Å; A402-L596 HydrophobicContact CB-CD1 3.88Å; V412-L596 HydrophobicContact CG2-CD1 4.42Å; L413-L596 PolarHBondContact O-N 2.86Å; V414-L596 HydrophobicContact CG1-CB 4.35Å; V414-L596 HydrophobicContact CG2-CD1 4.3Å; V415-L596 PolarHBondContact N-O 3.38Å; L594-L596 HydrophobicContact CD1-CD2 3.74Å; L594-L596 HydrophobicContact CD1-CG 4.32Å; L594-L596 HydrophobicContact CD2-CD1 4.11Å; L594-L596 HydrophobicContact CD2-CD2 4.08Å; L594-L596 HydrophobicContact CD2-CG 4.14Å; L594-L596 HydrophobicContact CG-CD1 4.41Å; L594-L596 HydrophobicContact CG-CD2 3.87Å; L594-L596 HydrophobicContact CG-CG 3.92Å
597F95.4Very high91.7Very high2 Ų216.6 Ų16.61%0.00910%0.096CC..EExtended strand (participates in β ladder)trans-118.5118.1171-58.2-96.3000110.3V357 L358 V415 W577 V595 E602 A603 Y606V357-F597 VanDerWaalsContact CA-O 3.31Å; V357-F597 WeakPolarHBondContact CA-O 3.43Å; L358-F597 HydrophobicContact CB-CB 4.29Å; L358-F597 HydrophobicContact CB-CD2 4.48Å; L358-F597 HydrophobicContact CD2-CD2 4.04Å; L358-F597 PolarHBondContact N-O 2.74Å; L358-F597 PolarHBondContact O-N 2.96Å; V415-F597 HydrophobicContact CB-CD1 3.91Å; V415-F597 HydrophobicContact CB-CE1 4.11Å; V415-F597 HydrophobicContact CG1-CD1 4.12Å; V415-F597 HydrophobicContact CG1-CE1 4.28Å; V415-F597 HydrophobicContact CG2-CE1 4.47Å; V415-F597 WeakPolarHBondContact O-CA 3.2Å; W577-F597 HydrophobicContact CB-CE1 4.13Å; W577-F597 AromaticContact CD2-CE1 3.89Å; W577-F597 HydrophobicContact CD2-CE1 3.89Å; W577-F597 AromaticContact CD2-CZ 3.9Å; W577-F597 HydrophobicContact CD2-CZ 3.9Å; W577-F597 AromaticContact CE3-CE1 3.44Å; W577-F597 HydrophobicContact CE3-CE1 3.44Å; W577-F597 VanDerWaalsContact CE3-CE1 3.44Å; W577-F597 AromaticContact CE3-CZ 3.37Å; W577-F597 HydrophobicContact CE3-CZ 3.37Å; W577-F597 HydrophobicContact CG-CE1 4.15Å; W577-F597 HydrophobicContact CH2-CZ 4.42Å; W577-F597 HydrophobicContact CZ3-CE1 4.16Å; W577-F597 AromaticContact CZ3-CZ 3.65Å; W577-F597 HydrophobicContact CZ3-CZ 3.65Å; V595-F597 HydrophobicContact CG1-CD2 4.2Å; V595-F597 HydrophobicContact CG1-CE2 3.44Å; V595-F597 VanDerWaalsContact CG1-CE2 3.44Å; V595-F597 HydrophobicContact CG1-CZ 3.82Å; F597-E602 HydrophobicContact CD1-CB 4.34Å; F597-A603 HydrophobicContact CB-CB 3.68Å; F597-A603 HydrophobicContact CD1-CB 4.08Å; F597-A603 HydrophobicContact CD2-CB 4.28Å; F597-A603 HydrophobicContact CG-CB 3.77Å; F597-Y606 HydrophobicContact CD2-CD1 4.43Å; F597-Y606 HydrophobicContact CE1-CG 4.3Å; F597-Y606 AromaticContact CE2-CD1 3.53Å; F597-Y606 HydrophobicContact CE2-CD1 3.53Å; F597-Y606 HydrophobicContact CE2-CD2 4.27Å; F597-Y606 AromaticContact CE2-CE1 3.99Å; F597-Y606 HydrophobicContact CE2-CE1 3.99Å; F597-Y606 AromaticContact CE2-CG 3.68Å; F597-Y606 HydrophobicContact CE2-CG 3.68Å; F597-Y606 AromaticContact CZ-CD1 3.74Å; F597-Y606 HydrophobicContact CZ-CD1 3.74Å; F597-Y606 AromaticContact CZ-CD2 3.87Å; F597-Y606 HydrophobicContact CZ-CD2 3.87Å; F597-Y606 HydrophobicContact CZ-CE1 4.5Å; F597-Y606 AromaticContact CZ-CG 3.37Å; F597-Y606 HydrophobicContact CZ-CG 3.37Å
598D93.3Very high91.5Very high49 Ų4917.5 Ų17.526%0.26211%0.109SC..SBendtrans-85.2-23.1166.4-168.985.9000111.4V357 V398 V415 I420V357-D598 HydrophobicContact CG2-CB 4.49Å; V398-D598 HydrophobicContact CG1-CB 3.82Å; V415-D598 PolarHBondContact O-N 3.44Å; I420-D598 HydrophobicContact CD1-CB 3.46Å; I420-D598 VanDerWaalsContact CD1-CB 3.46Å; I420-D598 VanDerWaalsContact CG2-OD2 3.26Å; I420-D598 WeakPolarHBondContact CG2-OD2 3.41Å
599D94.1Very high91.6Very high5 Ų514.3 Ų14.33%0.0279%0.088CC..  trans-99.6110.3178.8-163.3-51.4000111N417 L601 E602 A603 K720N417-D599 PolarHBondContact ND2-OD2 3.11Å; N417-D599 PolarHBondContact OD1-OD2 3.44Å; D599-L601 VanDerWaalsContact C-N 3.28Å; D599-L601 PolarHBondContact O-N 2.88Å; D599-L601 WeakPolarHBondContact OD1-CB 3.41Å; D599-L601 PolarHBondContact OD1-N 3.31Å; D599-E602 HydrophobicContact CB-CB 4Å; D599-E602 HydrophobicContact CB-CG 3.79Å; D599-E602 PolarHBondContact O-N 3.44Å; D599-E602 PolarHBondContact OD1-N 3.5Å; D599-A603 WeakPolarHBondContact O-CB 3.4Å; D599-A603 PolarHBondContact O-N 3.48Å; D599-K720 WeakPolarHBondContact OD2-CD 2.95Å; D599-K720 WeakPolarHBondContact OD2-CE 3.17Å; D599-K720 IonicContact OD2-NZ 2.8Å; D599-K720 PolarHBondContact OD2-NZ 3.39Å
600A94.4Very high91.6Very high2 Ų218.2 Ų18.22%0.01711%0.105CC..Hα-helixtrans-69.8-22.3-175.200000114.2S604 F723 S724 Y727A600-S604 WeakPolarHBondContact O-CB 3.48Å; A600-S604 PolarHBondContact O-N 3.1Å; A600-S604 VanDerWaalsContact O-N 3.12Å; A600-S604 PolarHBondContact O-OG 3.38Å; A600-F723 HydrophobicContact CB-CB 4Å; A600-F723 WeakPolarHBondContact O-CB 3.28Å; A600-S724 VanDerWaalsContact CB-N 3.33Å; A600-Y727 HydrophobicContact CB-CE1 3.63Å; A600-Y727 WeakPolarHBondContact CB-OH 3.48Å
601L95.3Very high91.7Very high3 Ų319.6 Ų19.62%0.01611%0.113CC..Hα-helixtrans-75.2-42.5174.4175.260.7000110.2D599 A603 S604 V605 W716 K720 F723 F759D599-L601 VanDerWaalsContact C-N 3.28Å; D599-L601 PolarHBondContact O-N 2.88Å; D599-L601 WeakPolarHBondContact OD1-CB 3.41Å; D599-L601 PolarHBondContact OD1-N 3.31Å; L601-A603 VanDerWaalsContact C-N 3.33Å; L601-A603 PolarHBondContact O-N 3.11Å; L601-S604 WeakPolarHBondContact O-CB 3.49Å; L601-S604 PolarHBondContact O-N 3.45Å; L601-S604 VanDerWaalsContact O-N 3.09Å; L601-V605 PolarHBondContact O-N 2.67Å; L601-W716 HydrophobicContact CD2-CH2 4.24Å; L601-W716 HydrophobicContact CD2-CZ2 3.96Å; L601-K720 HydrophobicContact CB-CB 4Å; L601-K720 HydrophobicContact CB-CD 4.12Å; L601-K720 HydrophobicContact CB-CG 3.88Å; L601-K720 HydrophobicContact CD2-CD 3.96Å; L601-K720 HydrophobicContact CD2-CG 3.77Å; L601-K720 HydrophobicContact CG-CG 4.47Å; L601-F723 HydrophobicContact CB-CD2 4.16Å; L601-F723 HydrophobicContact CB-CG 4.34Å; L601-F723 HydrophobicContact CD1-CD1 3.93Å; L601-F723 HydrophobicContact CD1-CD2 3.97Å; L601-F723 HydrophobicContact CD1-CE1 3.71Å; L601-F723 HydrophobicContact CD1-CE2 3.76Å; L601-F723 HydrophobicContact CD1-CG 4.07Å; L601-F723 HydrophobicContact CD1-CZ 3.64Å; L601-F759 HydrophobicContact CD1-CE1 3.95Å; L601-F759 HydrophobicContact CD1-CE2 4.11Å; L601-F759 HydrophobicContact CD1-CZ 3.55Å; L601-F759 HydrophobicContact CD2-CD1 4.43Å; L601-F759 HydrophobicContact CD2-CD2 3.7Å; L601-F759 HydrophobicContact CD2-CE1 4.25Å; L601-F759 HydrophobicContact CD2-CE2 3.49Å; L601-F759 VanDerWaalsContact CD2-CE2 3.49Å; L601-F759 HydrophobicContact CD2-CG 4.17Å; L601-F759 HydrophobicContact CD2-CZ 3.78Å; L601-F759 HydrophobicContact CG-CD2 4.17Å; L601-F759 HydrophobicContact CG-CE1 4.17Å; L601-F759 HydrophobicContact CG-CE2 3.41Å; L601-F759 VanDerWaalsContact CG-CE2 3.41Å; L601-F759 HydrophobicContact CG-CZ 3.4Å; L601-F759 VanDerWaalsContact CG-CZ 3.4Å
602E94.6Very high92.2Very high13 Ų1319.2 Ų19.26%0.06111%0.108CC..Hα-helixtrans-61.9-40.8171.8-62.3-65.914300111.7V415 I576 W577 F597 D599 S604 V605 Y606 F759 H763V415-E602 HydrophobicContact CG1-CB 4.28Å; I576-E602 VanDerWaalsContact CA-OE2 3.26Å; I576-E602 WeakPolarHBondContact CA-OE2 3.17Å; W577-E602 PolarHBondContact N-OE2 2.72Å; F597-E602 HydrophobicContact CD1-CB 4.34Å; D599-E602 HydrophobicContact CB-CB 4Å; D599-E602 HydrophobicContact CB-CG 3.79Å; D599-E602 PolarHBondContact O-N 3.44Å; D599-E602 PolarHBondContact OD1-N 3.5Å; E602-S604 PolarHBondContact O-N 2.72Å; E602-V605 PolarHBondContact O-N 2.96Å; E602-Y606 PolarHBondContact O-N 3.32Å; E602-Y606 VanDerWaalsContact O-N 3.16Å; E602-F759 WeakPolarHBondContact OE1-CE2 3.24Å; E602-H763 IonicContact OE1-CE1 2.67Å; E602-H763 IonicContact OE1-NE2 2.65Å; E602-H763 PolarHBondContact OE1-NE2 3.46Å; E602-H763 IonicContact OE2-CE1 2.62Å; E602-H763 PolarHBondContact OE2-CE1 3.32Å; E602-H763 IonicContact OE2-NE2 3.55Å; E602-H763 PolarHBondContact OE2-NE2 3.44Å; E602-H763 VanDerWaalsContact OE2-NE2 3.08Å
603A93Very high92.7Very high0 Ų018.9 Ų18.90%011%0.107CC..Hα-helixtrans-59.9-31.2173.200000112.8L358 F597 D599 L601 Y606 G607 Y727 L730L358-A603 HydrophobicContact CB-CB 4.39Å; L358-A603 HydrophobicContact CD2-CB 3.95Å; F597-A603 HydrophobicContact CB-CB 3.68Å; F597-A603 HydrophobicContact CD1-CB 4.08Å; F597-A603 HydrophobicContact CD2-CB 4.28Å; F597-A603 HydrophobicContact CG-CB 3.77Å; D599-A603 WeakPolarHBondContact O-CB 3.4Å; D599-A603 PolarHBondContact O-N 3.48Å; L601-A603 VanDerWaalsContact C-N 3.33Å; L601-A603 PolarHBondContact O-N 3.11Å; A603-Y606 WeakPolarHBondContact O-CB 3.33Å; A603-G607 PolarHBondContact O-N 3.14Å; A603-Y727 HydrophobicContact CB-CE1 4Å; A603-L730 HydrophobicContact CB-CD1 4.3Å; A603-L730 WeakPolarHBondContact O-CD1 3.39Å
604S92.4Very high92.7Very high4 Ų420.8 Ų20.83%0.02811%0.113CC..Hα-helixtrans-74.8-30.2178.5-64.70000112.5A600 L601 E602 G607 G608 V609 F723A600-S604 WeakPolarHBondContact O-CB 3.48Å; A600-S604 PolarHBondContact O-N 3.1Å; A600-S604 VanDerWaalsContact O-N 3.12Å; A600-S604 PolarHBondContact O-OG 3.38Å; L601-S604 WeakPolarHBondContact O-CB 3.49Å; L601-S604 PolarHBondContact O-N 3.45Å; L601-S604 VanDerWaalsContact O-N 3.09Å; E602-S604 PolarHBondContact O-N 2.72Å; S604-G607 PolarHBondContact O-N 2.74Å; S604-G608 PolarHBondContact O-N 3.31Å; S604-G608 VanDerWaalsContact O-N 3.11Å; S604-V609 WeakPolarHBondContact O-CB 3.29Å; S604-V609 PolarHBondContact O-N 3.38Å; S604-F723 WeakPolarHBondContact OG-CB 3.28Å
605V91.3Very high92.6Very high29 Ų2922.1 Ų22.118%0.17612%0.122CC..Hα-helixtrans-67.2-48.1169.3-175.30000110.5L601 E602 G607 G608 F759L601-V605 PolarHBondContact O-N 2.67Å; E602-V605 PolarHBondContact O-N 2.96Å; V605-G607 PolarHBondContact O-N 3.4Å; V605-G608 PolarHBondContact O-N 3.47Å; V605-F759 HydrophobicContact CG2-CE1 4.21Å; V605-F759 HydrophobicContact CG2-CE2 4.29Å; V605-F759 HydrophobicContact CG2-CZ 3.46Å; V605-F759 VanDerWaalsContact CG2-CZ 3.46Å
606Y89.5Confident92.4Very high25 Ų2522.1 Ų22.110%0.09812%0.122CC..Hα-helixtrans-53.9-39.2171.8163.7-106.1000112.3L358 W577 F597 E602 A603L358-Y606 HydrophobicContact CD2-CD1 4.28Å; L358-Y606 HydrophobicContact CD2-CE1 4.4Å; W577-Y606 HydrophobicContact CD2-CD2 4.35Å; W577-Y606 AromaticContact CE2-CD2 3.75Å; W577-Y606 AromaticContact CH2-CD2 3.84Å; W577-Y606 HydrophobicContact CH2-CD2 3.84Å; W577-Y606 HydrophobicContact CH2-CE2 4.24Å; W577-Y606 AromaticContact CZ2-CD2 3.5Å; W577-Y606 HydrophobicContact CZ2-CD2 3.5Å; W577-Y606 VanDerWaalsContact CZ2-CD2 3.5Å; W577-Y606 HydrophobicContact CZ2-CE2 4.17Å; W577-Y606 HydrophobicContact CZ2-CG 4.46Å; W577-Y606 HydrophobicContact CZ3-CD2 4.39Å; F597-Y606 HydrophobicContact CD2-CD1 4.43Å; F597-Y606 HydrophobicContact CE1-CG 4.3Å; F597-Y606 AromaticContact CE2-CD1 3.53Å; F597-Y606 HydrophobicContact CE2-CD1 3.53Å; F597-Y606 HydrophobicContact CE2-CD2 4.27Å; F597-Y606 AromaticContact CE2-CE1 3.99Å; F597-Y606 HydrophobicContact CE2-CE1 3.99Å; F597-Y606 AromaticContact CE2-CG 3.68Å; F597-Y606 HydrophobicContact CE2-CG 3.68Å; F597-Y606 AromaticContact CZ-CD1 3.74Å; F597-Y606 HydrophobicContact CZ-CD1 3.74Å; F597-Y606 AromaticContact CZ-CD2 3.87Å; F597-Y606 HydrophobicContact CZ-CD2 3.87Å; F597-Y606 HydrophobicContact CZ-CE1 4.5Å; F597-Y606 AromaticContact CZ-CG 3.37Å; F597-Y606 HydrophobicContact CZ-CG 3.37Å; E602-Y606 PolarHBondContact O-N 3.32Å; E602-Y606 VanDerWaalsContact O-N 3.16Å; A603-Y606 WeakPolarHBondContact O-CB 3.33Å
607G86.8Confident91.9Very high3 Ų324.3 Ų24.33%0.03114%0.139CC..Hα-helixtrans-72.4-17.7177.800000116.2A603 S604 V605 V738A603-G607 PolarHBondContact O-N 3.14Å; S604-G607 PolarHBondContact O-N 2.74Å; V605-G607 PolarHBondContact O-N 3.4Å; G607-V738 WeakPolarHBondContact O-CG1 3.5Å; G607-V738 WeakPolarHBondContact O-CG2 3.39Å
608G87.6Confident91.4Very high32 Ų3229.2 Ų29.233%0.3317%0.166SC..THydrogen-bonded Turntrans7136.1-170.600000113.7S604 V605 P737 V738S604-G608 PolarHBondContact O-N 3.31Å; S604-G608 VanDerWaalsContact O-N 3.11Å; V605-G608 PolarHBondContact O-N 3.47Å; G608-P737 WeakPolarHBondContact O-CA 3.23Å; G608-V738 PolarHBondContact O-N 3.48Å
609V90.5Very high91.1Very high20 Ų2030.2 Ų30.212%0.12117%0.169CC..  trans-72.8131.1168.8177.40000109.1S604 F726 L730 V738S604-V609 WeakPolarHBondContact O-CB 3.29Å; S604-V609 PolarHBondContact O-N 3.38Å; V609-F726 HydrophobicContact CG1-CD2 4.08Å; V609-F726 HydrophobicContact CG1-CE1 4.46Å; V609-F726 HydrophobicContact CG1-CE2 3.71Å; V609-F726 HydrophobicContact CG1-CZ 3.92Å; V609-F726 HydrophobicContact CG2-CB 4.34Å; V609-F726 HydrophobicContact CG2-CD1 4.4Å; V609-F726 HydrophobicContact CG2-CD2 4.14Å; V609-F726 HydrophobicContact CG2-CG 4.05Å; V609-L730 HydrophobicContact CG2-CD2 4.39Å; V609-V738 HydrophobicContact CG2-CG2 3.69Å
610Q91.3Very high90.7Very high103 Ų10334.4 Ų34.448%0.48120%0.197SC..EExtended strand (participates in β ladder)trans-77.6134.3173.9-74.1176.6-19.100110.6P737 G739 Q740 S741Q610-P737 HydrophobicContact CG-CB 4.07Å; Q610-P737 HydrophobicContact CG-CG 4.21Å; Q610-P737 VanDerWaalsContact NE2-CG 3.35Å; Q610-G739 PolarHBondContact N-O 2.87Å; Q610-Q740 HydrophobicContact CB-CG 4.3Å; Q610-Q740 CarbonylContact O-C 3.57Å; Q610-Q740 WeakPolarHBondContact O-CA 3.37Å; Q610-S741 PolarHBondContact O-N 3.43Å
611L93Very high90.4Very high32 Ų3237.7 Ų37.717%0.16821%0.211CC..EExtended strand (participates in β ladder)trans-110.5121.4174.5-175.758.2000109.8F723 S741 V743 L756 F759 Y760L611-F723 HydrophobicContact CD1-CE1 4.4Å; L611-F723 HydrophobicContact CD1-CZ 4.09Å; L611-S741 WeakPolarHBondContact CD1-OG 3.12Å; L611-V743 HydrophobicContact CD1-CG2 3.87Å; L611-L756 HydrophobicContact CD2-CD2 4.3Å; L611-F759 HydrophobicContact CD2-CD1 4.25Å; L611-F759 HydrophobicContact CD2-CE1 4.06Å; L611-Y760 HydrophobicContact CD2-CD2 4.34Å; L611-Y760 HydrophobicContact CD2-CE2 3.55Å; L611-Y760 HydrophobicContact CG-CE2 4Å; L611-Y760 PolarHBondContact O-OH 2.89Å
612D91.9Very high90.1Very high46 Ų4637.6 Ų37.625%0.24621%0.211CC..EExtended strand (participates in β ladder)trans-114.2140.7172.7-18024.9000108.9R614 S741 V742 V743D612-R614 IonicContact OD2-CZ 3.07Å; D612-R614 IonicContact OD2-NE 3.98Å; D612-R614 PolarHBondContact OD2-NE 2.92Å; D612-R614 IonicContact OD2-NH2 2.98Å; D612-S741 PolarHBondContact N-O 3.41Å; D612-V742 HydrophobicContact CB-CG2 4.25Å; D612-V742 WeakPolarHBondContact O-CA 3.47Å; D612-V743 PolarHBondContact O-N 3.1Å
613V93.9Very high89.8Confident23 Ų2338 Ų3814%0.13921%0.213CC..EExtended strand (participates in β ladder)trans-131.2107.6178.6-175.60000108.3V743 A745 L756 Y760 L771V613-V743 WeakPolarHBondContact CA-O 3.47Å; V613-V743 HydrophobicContact CG1-CB 4.43Å; V613-V743 HydrophobicContact CG2-CB 4.27Å; V613-A745 HydrophobicContact CG1-CB 4.13Å; V613-L756 HydrophobicContact CG1-CD1 4.23Å; V613-L756 HydrophobicContact CG2-CD1 4.12Å; V613-Y760 HydrophobicContact CG2-CE2 4.16Å; V613-L771 HydrophobicContact CB-CD1 4.2Å; V613-L771 HydrophobicContact CG1-CD1 3.94Å; V613-L771 HydrophobicContact CG1-CD2 4.14Å
614R92.9Very high89.5Confident44 Ų4442.9 Ų42.917%0.16624%0.236CC..EExtended strand (participates in β ladder)trans-97.6120.7177.3-56.6-174.5-176.7-162.4-11.9108.1D612 V616 E632 V742 V743 F744 A745D612-R614 IonicContact OD2-CZ 3.07Å; D612-R614 IonicContact OD2-NE 3.98Å; D612-R614 PolarHBondContact OD2-NE 2.92Å; D612-R614 IonicContact OD2-NH2 2.98Å; R614-V616 HydrophobicContact CB-CG2 4.23Å; R614-E632 IonicContact NH2-OE2 2.7Å; R614-V742 HydrophobicContact CG-CG1 4.21Å; R614-V743 PolarHBondContact N-O 3.15Å; R614-F744 HydrophobicContact CB-CD1 4.17Å; R614-F744 WeakPolarHBondContact O-CA 3.21Å; R614-A745 PolarHBondContact O-N 3.26Å
615V92.3Very high89.3Confident29 Ų2945.4 Ų45.418%0.17625%0.248CC..EExtended strand (participates in β ladder)trans-85.3126.4173.8-179.70000108.1A745 P747 L771 I774V615-A745 CarbonylContact C-O 3.55Å; V615-A745 VanDerWaalsContact CA-O 3.25Å; V615-A745 WeakPolarHBondContact CA-O 3.32Å; V615-P747 HydrophobicContact CG1-CG 3.75Å; V615-L771 HydrophobicContact CG2-CD2 3.34Å; V615-I774 HydrophobicContact CB-CD1 4.29Å; V615-I774 HydrophobicContact CG1-CD1 3.71Å; V615-I774 HydrophobicContact CG2-CD1 3.71Å
616V91.6Very high89.2Confident1 Ų144 Ų441%0.00624%0.239CC..  trans-142.2123.9-172-169.30000108R614 E621 K622 A745 K746R614-V616 HydrophobicContact CB-CG2 4.23Å; V616-E621 HydrophobicContact CG1-CB 3.61Å; V616-E621 HydrophobicContact CG1-CG 3.68Å; V616-E621 VanDerWaalsContact CG1-OE2 3.27Å; V616-E621 WeakPolarHBondContact CG1-OE2 3.42Å; V616-K622 HydrophobicContact CB-CG 3.97Å; V616-K622 HydrophobicContact CG1-CB 4.18Å; V616-K622 HydrophobicContact CG1-CG 3.52Å; V616-K622 VanDerWaalsContact CG1-N 3.32Å; V616-A745 PolarHBondContact N-O 3.02Å; V616-K746 WeakPolarHBondContact O-CA 3.48Å
617A84.5Confident88.9Confident45 Ų4546.4 Ų46.437%0.37225%0.25SC..  trans-79.5-51.8-175.300000111.2E621A617-E621 PolarHBondContact N-OE2 3.13Å
618D86.2Confident88.8Confident106 Ų10647.9 Ų47.957%0.56726%0.262SS*.SBendtrans-112.9154.2-166.6-62.9-53.5000113.1E621 K622D618-E621 WeakPolarHBondContact O-CB 3.36Å; D618-E621 PolarHBondContact O-N 3.23Å; D618-K622 PolarHBondContact O-N 2.92Å
619E85.5Confident88.7Confident69 Ų6946.5 Ų46.532%0.32225%0.247SC..Hα-helixtrans-63.9-38179.9-64.3-62.7136.700113.9E621 K622 I623 Y710 K746E619-E621 VanDerWaalsContact C-N 3.3Å; E619-E621 PolarHBondContact O-N 2.73Å; E619-K622 WeakPolarHBondContact O-CB 3.41Å; E619-K622 PolarHBondContact O-N 3.12Å; E619-K622 WeakPolarHBondContact OE1-CE 3.44Å; E619-K622 IonicContact OE1-NZ 3.08Å; E619-K622 PolarHBondContact OE1-NZ 3.02Å; E619-K622 IonicContact OE2-NZ 4Å; E619-I623 WeakPolarHBondContact O-CG1 3.28Å; E619-I623 PolarHBondContact O-N 3.49Å; E619-I623 VanDerWaalsContact O-N 3.13Å; E619-Y710 VanDerWaalsContact OE2-CE1 3.27Å; E619-Y710 WeakPolarHBondContact OE2-CE1 3.46Å; E619-Y710 VanDerWaalsContact OE2-CZ 3.31Å; E619-Y710 PolarHBondContact OE2-OH 2.86Å; E619-K746 VanDerWaalsContact OE1-CE 3.24Å; E619-K746 WeakPolarHBondContact OE1-CE 3.21Å; E619-K746 IonicContact OE1-NZ 3.69Å; E619-K746 PolarHBondContact OE1-NZ 3.17Å
620P86.6Confident88.1Confident94 Ų9447.1 Ų47.161%0.6125%0.249SC*.Hα-helixtrans-59.6-39.6171.8-24.435.8000112.7K622 I623 E624P620-K622 VanDerWaalsContact C-N 3.34Å; P620-K622 PolarHBondContact O-N 3.34Å; P620-I623 PolarHBondContact O-N 3.49Å; P620-I623 VanDerWaalsContact O-N 3.16Å; P620-E624 PolarHBondContact O-N 2.95Å
621E88.1Confident87.4Confident70 Ų7046 Ų4633%0.32726%0.258SS..Hα-helixtrans-65-37.1177.3-165.1-170.3-15400111.1V616 A617 D618 E619 I623 E624 H625V616-E621 HydrophobicContact CG1-CB 3.61Å; V616-E621 HydrophobicContact CG1-CG 3.68Å; V616-E621 VanDerWaalsContact CG1-OE2 3.27Å; V616-E621 WeakPolarHBondContact CG1-OE2 3.42Å; A617-E621 PolarHBondContact N-OE2 3.13Å; D618-E621 WeakPolarHBondContact O-CB 3.36Å; D618-E621 PolarHBondContact O-N 3.23Å; E619-E621 VanDerWaalsContact C-N 3.3Å; E619-E621 PolarHBondContact O-N 2.73Å; E621-I623 VanDerWaalsContact C-N 3.33Å; E621-I623 PolarHBondContact O-N 2.9Å; E621-E624 PolarHBondContact O-N 3.15Å; E621-H625 PolarHBondContact O-CD2 3.44Å; E621-H625 PolarHBondContact O-N 2.88Å
622K89.4Confident86.6Confident1 Ų150.5 Ų50.50%0.00428%0.278CS..Hα-helixtrans-61.6-40.2171.9-73.6-174.2179.7176.40112V616 D618 E619 P620 H625 L626 Y710 S711 F744V616-K622 HydrophobicContact CB-CG 3.97Å; V616-K622 HydrophobicContact CG1-CB 4.18Å; V616-K622 HydrophobicContact CG1-CG 3.52Å; V616-K622 VanDerWaalsContact CG1-N 3.32Å; D618-K622 PolarHBondContact O-N 2.92Å; E619-K622 WeakPolarHBondContact O-CB 3.41Å; E619-K622 PolarHBondContact O-N 3.12Å; E619-K622 WeakPolarHBondContact OE1-CE 3.44Å; E619-K622 IonicContact OE1-NZ 3.08Å; E619-K622 PolarHBondContact OE1-NZ 3.02Å; E619-K622 IonicContact OE2-NZ 4Å; P620-K622 VanDerWaalsContact C-N 3.34Å; P620-K622 PolarHBondContact O-N 3.34Å; K622-H625 PolarHBondContact O-N 2.94Å; K622-L626 VanDerWaalsContact O-CB 3.26Å; K622-L626 WeakPolarHBondContact O-CB 3.48Å; K622-L626 PolarHBondContact O-N 2.89Å; K622-Y710 HydrophobicContact CB-CE2 4.06Å; K622-Y710 HydrophobicContact CD-CD1 4.47Å; K622-Y710 HydrophobicContact CD-CE1 3.85Å; K622-Y710 HydrophobicContact CD-CE2 4.05Å; K622-Y710 WeakPolarHBondContact CE-O 3.48Å; K622-Y710 PolarHBondContact NZ-O 2.87Å; K622-S711 PolarHBondContact NZ-OG 3.33Å; K622-S711 VanDerWaalsContact NZ-OG 3.13Å; K622-F744 HydrophobicContact CB-CD2 4.12Å; K622-F744 HydrophobicContact CB-CE2 4.33Å; K622-F744 HydrophobicContact CD-CD2 4.17Å; K622-F744 HydrophobicContact CG-CD2 4.02Å
623I87.9Confident85.6Confident21 Ų2151.1 Ų51.111%0.10828%0.277CS..Hα-helixtrans-67.1-38.9177.2-61-60.4000110.9E619 P620 E621 L626 K627 L654 I661 Y710E619-I623 WeakPolarHBondContact O-CG1 3.28Å; E619-I623 PolarHBondContact O-N 3.49Å; E619-I623 VanDerWaalsContact O-N 3.13Å; P620-I623 PolarHBondContact O-N 3.49Å; P620-I623 VanDerWaalsContact O-N 3.16Å; E621-I623 VanDerWaalsContact C-N 3.33Å; E621-I623 PolarHBondContact O-N 2.9Å; I623-L626 PolarHBondContact O-N 3.31Å; I623-K627 WeakPolarHBondContact O-CG 3.47Å; I623-K627 PolarHBondContact O-N 2.91Å; I623-L654 HydrophobicContact CD1-CD1 3.43Å; I623-L654 VanDerWaalsContact CD1-CD1 3.43Å; I623-I661 HydrophobicContact CG2-CD1 4.3Å; I623-Y710 HydrophobicContact CD1-CE2 4.44Å
624E87.2Confident83.6Confident104 Ų10461.7 Ų61.749%0.48631%0.314SS..Hα-helixtrans-67.1-42173.6-64.7-48.1126.500112.6P620 E621 L626 K627 A628P620-E624 PolarHBondContact O-N 2.95Å; E621-E624 PolarHBondContact O-N 3.15Å; E624-L626 VanDerWaalsContact C-N 3.26Å; E624-L626 PolarHBondContact O-N 2.94Å; E624-K627 WeakPolarHBondContact O-CB 3.42Å; E624-K627 PolarHBondContact O-N 3.37Å; E624-K627 WeakPolarHBondContact OE1-CE 3.5Å; E624-K627 IonicContact OE1-NZ 3.96Å; E624-K627 PolarHBondContact OE1-NZ 3.46Å; E624-K627 WeakPolarHBondContact OE2-CD 3.04Å; E624-K627 IonicContact OE2-NZ 2.7Å; E624-A628 WeakPolarHBondContact O-CB 3.27Å; E624-A628 PolarHBondContact O-N 3.06Å
625H87.8Confident81.8Confident57 Ų5764 Ų6426%0.26433%0.33SS..Hα-helixtrans-62.6-33.6172.6-85.1-65.2000113E621 K622 L629 F744E621-H625 PolarHBondContact O-CD2 3.44Å; E621-H625 PolarHBondContact O-N 2.88Å; K622-H625 PolarHBondContact O-N 2.94Å; H625-L629 WeakPolarHBondContact O-CB 3.27Å; H625-L629 PolarHBondContact O-N 3.13Å; H625-F744 HydrophobicContact CB-CE1 4.42Å; H625-F744 HydrophobicContact CB-CZ 4.19Å
626L88Confident80Confident0 Ų063.5 Ų63.50%033%0.325CS..Hα-helixtrans-69.8-44.7174.3177.856.6000111.6K622 I623 E624 A628 L629 I630 M643 L654 L658 I708 F744K622-L626 VanDerWaalsContact O-CB 3.26Å; K622-L626 WeakPolarHBondContact O-CB 3.48Å; K622-L626 PolarHBondContact O-N 2.89Å; I623-L626 PolarHBondContact O-N 3.31Å; E624-L626 VanDerWaalsContact C-N 3.26Å; E624-L626 PolarHBondContact O-N 2.94Å; L626-A628 VanDerWaalsContact C-N 3.33Å; L626-A628 PolarHBondContact O-N 3.2Å; L626-L629 PolarHBondContact O-N 3.48Å; L626-I630 HydrophobicContact CD1-CD1 3.85Å; L626-I630 HydrophobicContact CD1-CG1 4.2Å; L626-I630 HydrophobicContact CG-CD1 3.94Å; L626-I630 VanDerWaalsContact O-CG1 3.25Å; L626-I630 WeakPolarHBondContact O-CG1 3.38Å; L626-I630 PolarHBondContact O-N 3.37Å; L626-M643 HydrophobicContact CD1-CE 3.38Å; L626-M643 HydrophobicContact CD2-CE 3.63Å; L626-M643 HydrophobicContact CG-CE 4.16Å; L626-L654 HydrophobicContact CD2-CD1 4.43Å; L626-L658 HydrophobicContact CD2-CD2 3.61Å; L626-L658 HydrophobicContact CD2-CG 4.48Å; L626-L658 HydrophobicContact CG-CD2 4.39Å; L626-I708 HydrophobicContact CD1-CD1 3.93Å; L626-F744 HydrophobicContact CB-CE2 4.3Å; L626-F744 HydrophobicContact CB-CZ 4.33Å
627K83.8Confident78.1Confident74 Ų7466.5 Ų66.532%0.32235%0.35SS..Hα-helixtrans-56.2-47.7171.5-75.3168.1178175.60111.4I623 E624 I630 A631 I661I623-K627 WeakPolarHBondContact O-CG 3.47Å; I623-K627 PolarHBondContact O-N 2.91Å; E624-K627 WeakPolarHBondContact O-CB 3.42Å; E624-K627 PolarHBondContact O-N 3.37Å; E624-K627 WeakPolarHBondContact OE1-CE 3.5Å; E624-K627 IonicContact OE1-NZ 3.96Å; E624-K627 PolarHBondContact OE1-NZ 3.46Å; E624-K627 WeakPolarHBondContact OE2-CD 3.04Å; E624-K627 IonicContact OE2-NZ 2.7Å; K627-I630 PolarHBondContact O-N 3.5Å; K627-A631 WeakPolarHBondContact O-CB 3.45Å; K627-A631 PolarHBondContact O-N 3.38Å; K627-I661 HydrophobicContact CD-CD1 4.38Å; K627-I661 VanDerWaalsContact CE-CG2 3.48Å; K627-I661 HydrophobicContact CG-CD1 3.69Å
628A85.4Confident76.8Confident35 Ų3569.3 Ų69.329%0.28936%0.359SS..Hα-helixtrans-59.8-47.1177.500000111.6E624 L626 I630 A631 E632E624-A628 WeakPolarHBondContact O-CB 3.27Å; E624-A628 PolarHBondContact O-N 3.06Å; L626-A628 VanDerWaalsContact C-N 3.33Å; L626-A628 PolarHBondContact O-N 3.2Å; A628-I630 VanDerWaalsContact C-N 3.32Å; A628-I630 PolarHBondContact O-N 3.1Å; A628-A631 PolarHBondContact O-N 3.35Å; A628-A631 VanDerWaalsContact O-N 3.16Å; A628-E632 WeakPolarHBondContact O-CB 3.42Å; A628-E632 WeakPolarHBondContact O-CG 3.48Å; A628-E632 PolarHBondContact O-N 3.06Å
629L84.8Confident76.2Confident3 Ų367.1 Ų67.12%0.01635%0.346CS..Hα-helixtrans-60.8-38.5177.5-177.265.7000112.9H625 L626 R633 L706 I708 V742H625-L629 WeakPolarHBondContact O-CB 3.27Å; H625-L629 PolarHBondContact O-N 3.13Å; L626-L629 PolarHBondContact O-N 3.48Å; L629-R633 WeakPolarHBondContact O-CG 3.38Å; L629-L706 HydrophobicContact CD2-CD2 4.28Å; L629-L706 HydrophobicContact CG-CD2 4.43Å; L629-I708 HydrophobicContact CD2-CD1 3.71Å; L629-I708 HydrophobicContact CD2-CG1 3.95Å; L629-V742 HydrophobicContact CD1-CG2 4.15Å; L629-V742 HydrophobicContact CD2-CB 4.29Å; L629-V742 HydrophobicContact CD2-CG1 4.28Å; L629-V742 HydrophobicContact CD2-CG2 4.09Å
630I78.4Confident76Confident32 Ų3265.1 Ų65.116%0.16434%0.338CS..Hα-helixtrans-68.7-40.3175.7-67.5165.7000110.8L626 K627 A628 F636 V663L626-I630 HydrophobicContact CD1-CD1 3.85Å; L626-I630 HydrophobicContact CD1-CG1 4.2Å; L626-I630 HydrophobicContact CG-CD1 3.94Å; L626-I630 VanDerWaalsContact O-CG1 3.25Å; L626-I630 WeakPolarHBondContact O-CG1 3.38Å; L626-I630 PolarHBondContact O-N 3.37Å; K627-I630 PolarHBondContact O-N 3.5Å; A628-I630 VanDerWaalsContact C-N 3.32Å; A628-I630 PolarHBondContact O-N 3.1Å; I630-F636 HydrophobicContact CB-CD2 4.3Å; I630-F636 HydrophobicContact CB-CE2 4.37Å; I630-F636 HydrophobicContact CB-CG 4.48Å; I630-F636 HydrophobicContact CG1-CD1 4.45Å; I630-F636 HydrophobicContact CG1-CD2 4.22Å; I630-F636 HydrophobicContact CG1-CE1 4.09Å; I630-F636 HydrophobicContact CG1-CE2 3.82Å; I630-F636 HydrophobicContact CG1-CZ 3.75Å; I630-F636 HydrophobicContact CG2-CB 4.34Å; I630-F636 HydrophobicContact CG2-CD1 4.19Å; I630-F636 HydrophobicContact CG2-CD2 4.36Å; I630-F636 HydrophobicContact CG2-CG 4.05Å; I630-V663 HydrophobicContact CD1-CG1 4.32Å; I630-V663 HydrophobicContact CD1-CG2 4.13Å
631A77.1Confident76Confident80 Ų8060.7 Ų60.766%0.66131%0.31SS*.Hα-helixtrans-77.2-37.3-177.800000114.2K627 A628 R633K627-A631 WeakPolarHBondContact O-CB 3.45Å; K627-A631 PolarHBondContact O-N 3.38Å; A628-A631 PolarHBondContact O-N 3.35Å; A628-A631 VanDerWaalsContact O-N 3.16Å; A631-R633 PolarHBondContact O-N 3.37Å
632E75Confident76.3Confident126 Ų12657.3 Ų57.359%0.58929%0.294SS*.Hα-helixtrans-59.2-37.9175.5-77.5165.2-178.300111.3R614 A628 R634R614-E632 IonicContact NH2-OE2 2.7Å; A628-E632 WeakPolarHBondContact O-CB 3.42Å; A628-E632 WeakPolarHBondContact O-CG 3.48Å; A628-E632 PolarHBondContact O-N 3.06Å; E632-R634 PolarHBondContact O-N 3.47Å
633R71.7Confident76.5Confident60 Ų6057.3 Ų57.323%0.22629%0.294CS..  trans-75.886.3176.5-75.3-94.6178.2168.1-4110.2L629 A631 N635 F636 E639L629-R633 WeakPolarHBondContact O-CG 3.38Å; A631-R633 PolarHBondContact O-N 3.37Å; R633-N635 PolarHBondContact O-N 2.95Å; R633-F636 HydrophobicContact CB-CB 4.14Å; R633-F636 HydrophobicContact CB-CD2 3.7Å; R633-F636 HydrophobicContact CB-CG 4.43Å; R633-F636 HydrophobicContact CG-CD2 4.07Å; R633-F636 PolarHBondContact O-N 3.12Å; R633-E639 IonicContact CZ-OE2 3.28Å; R633-E639 IonicContact NH1-OE2 3.92Å; R633-E639 PolarHBondContact NH1-OE2 3Å
634R51.9Low76.9Confident244 Ų24456.3 Ų56.392%0.92129%0.289SS*.THydrogen-bonded Turntrans-47.7-18.7176.4-66.3-175.6178.6-177.1-0.6115.8E632E632-R634 PolarHBondContact O-N 3.47Å
635N53.7Low77.2Confident92 Ų9251.3 Ų51.349%0.49227%0.265SS..THydrogen-bonded Turntrans-119.623.4177.8-82.5-18.3000114.6R633 A637 N638 E639R633-N635 PolarHBondContact O-N 2.95Å; N635-A637 PolarHBondContact O-N 3.35Å; N635-N638 PolarHBondContact O-N 3.41Å; N635-E639 PolarHBondContact O-N 3.19Å
636F54.8Low77.3Confident19 Ų1950.9 Ų50.98%0.08327%0.269CS..G310 helixtrans-56.4-25.9173.4-143.3-79.1000112I630 R633 N638 A641 S686 L706I630-F636 HydrophobicContact CB-CD2 4.3Å; I630-F636 HydrophobicContact CB-CE2 4.37Å; I630-F636 HydrophobicContact CB-CG 4.48Å; I630-F636 HydrophobicContact CG1-CD1 4.45Å; I630-F636 HydrophobicContact CG1-CD2 4.22Å; I630-F636 HydrophobicContact CG1-CE1 4.09Å; I630-F636 HydrophobicContact CG1-CE2 3.82Å; I630-F636 HydrophobicContact CG1-CZ 3.75Å; I630-F636 HydrophobicContact CG2-CB 4.34Å; I630-F636 HydrophobicContact CG2-CD1 4.19Å; I630-F636 HydrophobicContact CG2-CD2 4.36Å; I630-F636 HydrophobicContact CG2-CG 4.05Å; R633-F636 HydrophobicContact CB-CB 4.14Å; R633-F636 HydrophobicContact CB-CD2 3.7Å; R633-F636 HydrophobicContact CB-CG 4.43Å; R633-F636 HydrophobicContact CG-CD2 4.07Å; R633-F636 PolarHBondContact O-N 3.12Å; F636-N638 PolarHBondContact O-N 3.13Å; F636-N638 VanDerWaalsContact O-N 3.13Å; F636-A641 HydrophobicContact CE1-CB 3.95Å; F636-A641 HydrophobicContact CE2-CB 4.41Å; F636-A641 HydrophobicContact CZ-CB 3.57Å; F636-S686 WeakPolarHBondContact O-CA 3.37Å; F636-L706 HydrophobicContact CD2-CD2 4.5Å; F636-L706 HydrophobicContact CE2-CD2 3.5Å; F636-L706 VanDerWaalsContact CE2-CD2 3.5Å; F636-L706 HydrophobicContact CZ-CD2 4.01Å
637A51.5Low77.5Confident64 Ų6454 Ų5453%0.52929%0.286SS..G310 helixtrans-64.3-5.4170.600000115.4N635 S686N635-A637 PolarHBondContact O-N 3.35Å; A637-S686 WeakPolarHBondContact O-CA 3.44Å; A637-S686 WeakPolarHBondContact O-CB 3.46Å; A637-S686 PolarHBondContact O-OG 2.99Å
638N58.2Low77.9Confident105 Ų10553.4 Ų53.456%0.56129%0.291SS*.G310 helixtrans-138.30.8-179.4-71-47.9000113.8N635 F636 P685N635-N638 PolarHBondContact O-N 3.41Å; F636-N638 PolarHBondContact O-N 3.13Å; F636-N638 VanDerWaalsContact O-N 3.13Å; N638-P685 CarbonylContact C-O 3.55Å; N638-P685 VanDerWaalsContact C-O 3.25Å
639E72.9Confident78.2Confident60 Ų6055.9 Ų55.928%0.2830%0.302SS..SBendtrans-117.5117.6-174.9-81.2-175.9-160.800111.8R633 N635 A641 P685 P705R633-E639 IonicContact CZ-OE2 3.28Å; R633-E639 IonicContact NH1-OE2 3.92Å; R633-E639 PolarHBondContact NH1-OE2 3Å; N635-E639 PolarHBondContact O-N 3.19Å; E639-A641 PolarHBondContact O-N 3.3Å; E639-P685 CarbonylContact C-O 3.25Å; E639-P685 WeakPolarHBondContact CA-O 3.38Å; E639-P685 PolarHBondContact N-O 2.99Å; E639-P685 VanDerWaalsContact N-O 3.16Å; E639-P705 HydrophobicContact CB-CG 3.7Å; E639-P705 HydrophobicContact CG-CG 3.94Å
640P81.1Confident78.6Confident26 Ų2657.1 Ų57.117%0.16931%0.308CS..  trans-72.7126-176.725.7-31.9000111.2W680 P685 P705P640-W680 HydrophobicContact CB-CH2 4Å; P640-W680 HydrophobicContact CB-CZ2 3.54Å; P640-P685 WeakPolarHBondContact CD-O 3.43Å; P640-P705 VanDerWaalsContact O-CD 3.27Å; P640-P705 WeakPolarHBondContact O-CD 3.28Å
641A87.9Confident79.4Confident1 Ų155.6 Ų55.61%0.00830%0.3CS..EExtended strand (participates in β ladder)trans-111.6138.5178.100000111.1F636 E639 G687 L688 L689 L706F636-A641 HydrophobicContact CE1-CB 3.95Å; F636-A641 HydrophobicContact CE2-CB 4.41Å; F636-A641 HydrophobicContact CZ-CB 3.57Å; E639-A641 PolarHBondContact O-N 3.3Å; A641-G687 PolarHBondContact N-O 3.2Å; A641-L688 HydrophobicContact CB-CD1 3.69Å; A641-L689 PolarHBondContact O-N 2.87Å; A641-L706 HydrophobicContact CB-CB 4.23Å; A641-L706 HydrophobicContact CB-CD2 4.15Å; A641-L706 HydrophobicContact CB-CG 4.4Å
642V92.8Very high80.1Confident0 Ų056.5 Ų56.50%029%0.293CS..EExtended strand (participates in β ladder)trans-111.1134.9171.3-176.30000109.1W680 L689 V691 C701 I704 L706 L707 I708 L725V642-W680 HydrophobicContact CG2-CH2 3.64Å; V642-W680 HydrophobicContact CG2-CZ2 4.19Å; V642-W680 HydrophobicContact CG2-CZ3 4.46Å; V642-L689 HydrophobicContact CG2-CD2 4.48Å; V642-V691 HydrophobicContact CG1-CG1 4.36Å; V642-V691 HydrophobicContact CG1-CG2 3.88Å; V642-C701 HydrophobicContact CG2-CB 4.34Å; V642-I704 HydrophobicContact CB-CD1 4.4Å; V642-I704 HydrophobicContact CG2-CD1 4.23Å; V642-I704 HydrophobicContact CG2-CG2 3.87Å; V642-L706 PolarHBondContact N-O 2.71Å; V642-L706 VanDerWaalsContact N-O 3.1Å; V642-L707 HydrophobicContact CB-CD1 4.18Å; V642-L707 HydrophobicContact CG1-CD1 4.31Å; V642-L707 CarbonylContact O-C 3.59Å; V642-L707 WeakPolarHBondContact O-CA 3.48Å; V642-I708 PolarHBondContact O-N 3.27Å; V642-L725 HydrophobicContact CB-CD1 4.44Å; V642-L725 HydrophobicContact CG1-CD1 3.87Å
643M94.2Very high80.9Confident0 Ų055 Ų550%029%0.289CS..EExtended strand (participates in β ladder)trans-123.3124.9176.5-179-177-68.200110.3L626 L654 L688 L689 L690 V691 I708 Y710L626-M643 HydrophobicContact CD1-CE 3.38Å; L626-M643 HydrophobicContact CD2-CE 3.63Å; L626-M643 HydrophobicContact CG-CE 4.16Å; M643-L654 HydrophobicContact SD-CD2 3.41Å; 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 4.26Å; M643-L688 HydrophobicContact CE-CD2 3.86Å; M643-L688 HydrophobicContact SD-CD2 4.45Å; M643-L689 PolarHBondContact N-O 3.16Å; M643-L690 HydrophobicContact CB-CD2 3.94Å; M643-L690 HydrophobicContact CG-CD2 4.23Å; M643-L690 WeakPolarHBondContact O-CA 3.34Å; M643-L690 HydrophobicContact SD-CD2 3.68Å; M643-V691 PolarHBondContact O-N 3.18Å; M643-I708 CarbonylContact C-O 3.53Å; M643-I708 VanDerWaalsContact CA-O 3.27Å; M643-I708 WeakPolarHBondContact CA-O 3.38Å; M643-I708 HydrophobicContact CB-CB 4.16Å; M643-I708 HydrophobicContact CE-CB 4.12Å; M643-I708 HydrophobicContact CE-CD1 3.66Å; M643-I708 HydrophobicContact CE-CG1 4.5Å; M643-I708 HydrophobicContact CE-CG2 3.94Å; M643-I708 HydrophobicContact CG-CB 4.03Å; M643-I708 HydrophobicContact CG-CG2 4.19Å; M643-Y710 HydrophobicContact SD-CD2 3.96Å; M643-Y710 HydrophobicContact SD-CG 4.31Å
644V96.4Very high81.8Confident0 Ų052.4 Ų52.40%028%0.279CS..EExtended strand (participates in β ladder)trans-103.8117.9-178.5-1650000110.1V691 V696 L707 I708 Y710 R722 L725V644-V691 WeakPolarHBondContact CA-O 3.49Å; V644-V691 HydrophobicContact CB-CG2 4.24Å; V644-V691 HydrophobicContact CG1-CG2 4.21Å; V644-V691 HydrophobicContact CG2-CG2 3.8Å; V644-V696 HydrophobicContact CG1-CG2 4.34Å; V644-V696 HydrophobicContact CG2-CG2 4.49Å; V644-L707 HydrophobicContact CG2-CD1 3.85Å; V644-I708 PolarHBondContact N-O 3.5Å; V644-Y710 PolarHBondContact O-N 3.44Å; V644-Y710 VanDerWaalsContact O-N 3.14Å; V644-R722 HydrophobicContact CB-CG 4.41Å; V644-R722 HydrophobicContact CG1-CG 4.11Å; V644-R722 VanDerWaalsContact CG1-NE 3.34Å; V644-R722 HydrophobicContact CG2-CB 4.46Å; V644-R722 HydrophobicContact CG2-CG 4.23Å; V644-R722 PolarHBondContact O-NH1 3.08Å; V644-L725 HydrophobicContact CG2-CD1 4.43Å
645C94.7Very high83.7Confident0 Ų045.1 Ų45.10%025%0.252CS..EExtended strand (participates in β ladder)trans-96.9162.3171.4-62.30000110.5E650 V651 V691C645-E650 HydrophobicContact CB-CB 4.27Å; C645-E650 HydrophobicContact CB-CG 4.02Å; C645-E650 WeakPolarHBondContact CB-OE2 3.41Å; C645-V651 HydrophobicContact CB-CG2 3.56Å; C645-V691 PolarHBondContact N-O 2.89Å
646S89.8Confident85.4Confident47 Ų4748.8 Ų48.833%0.32926%0.259SS..SBendtrans-71-35178.464.40000113.3E650S646-E650 WeakPolarHBondContact CB-OE2 3.38Å; S646-E650 PolarHBondContact N-OE2 2.91Å; S646-E650 PolarHBondContact OG-OE2 2.9Å
647N90.7Very high87.1Confident67 Ų6750.4 Ų50.436%0.35827%0.272SS..SBendtrans-153.8168.4-175.367.474.4000112.6T649 E650 V651 T692N647-T649 PolarHBondContact O-N 3.19Å; N647-T649 WeakPolarHBondContact OD1-CA 3.46Å; N647-T649 VanDerWaalsContact OD1-CB 3.27Å; N647-T649 WeakPolarHBondContact OD1-CB 3.46Å; N647-T649 PolarHBondContact OD1-N 2.82Å; N647-E650 PolarHBondContact O-N 3.48Å; N647-E650 PolarHBondContact OD1-N 3.39Å; N647-V651 PolarHBondContact O-N 2.93Å; N647-T692 VanDerWaalsContact C-CG2 3.4Å
648S92.4Very high88.7Confident61 Ų6147.3 Ų47.343%0.42725%0.247SC..Hα-helixtrans-68.5-30-176.751.70000114.1V651 L652S648-V651 PolarHBondContact O-N 2.93Å; S648-L652 WeakPolarHBondContact O-CG 3.22Å; S648-L652 PolarHBondContact O-N 3.36Å; S648-L652 VanDerWaalsContact O-N 3.09Å
649T93.1Very high90.1Very high87 Ų8746.7 Ų46.753%0.53424%0.241SC..Hα-helixtrans-66-44.3176.2-530000110.9N647 V651 L652 L653N647-T649 PolarHBondContact O-N 3.19Å; N647-T649 WeakPolarHBondContact OD1-CA 3.46Å; N647-T649 VanDerWaalsContact OD1-CB 3.27Å; N647-T649 WeakPolarHBondContact OD1-CB 3.46Å; N647-T649 PolarHBondContact OD1-N 2.82Å; T649-V651 VanDerWaalsContact C-N 3.33Å; T649-V651 PolarHBondContact O-N 3.16Å; T649-L652 PolarHBondContact O-N 2.87Å; T649-L653 HydrophobicContact CG2-CD1 4.29Å; T649-L653 WeakPolarHBondContact O-CG 3.4Å; T649-L653 PolarHBondContact O-N 2.78Å
650E92.9Very high90.7Very high28 Ų2848 Ų4813%0.13126%0.262CS..Hα-helixtrans-58.7-43.1173.8-175.6175.2-137.600111.4C645 S646 N647 L652 L653 L654 Y710 S711C645-E650 HydrophobicContact CB-CB 4.27Å; C645-E650 HydrophobicContact CB-CG 4.02Å; C645-E650 WeakPolarHBondContact CB-OE2 3.41Å; S646-E650 WeakPolarHBondContact CB-OE2 3.38Å; S646-E650 PolarHBondContact N-OE2 2.91Å; S646-E650 PolarHBondContact OG-OE2 2.9Å; N647-E650 PolarHBondContact O-N 3.48Å; N647-E650 PolarHBondContact OD1-N 3.39Å; E650-L652 PolarHBondContact O-N 3.46Å; E650-L653 PolarHBondContact O-N 2.95Å; E650-L654 WeakPolarHBondContact O-CB 3.43Å; E650-L654 PolarHBondContact O-N 2.98Å; E650-Y710 HydrophobicContact CG-CD1 4.27Å; E650-Y710 HydrophobicContact CG-CE1 4.4Å; E650-Y710 WeakPolarHBondContact OE1-CD1 3.38Å; E650-S711 VanDerWaalsContact OE1-CB 3.27Å; E650-S711 WeakPolarHBondContact OE1-CB 3.17Å; E650-S711 PolarHBondContact OE1-OG 2.88Å
651V94.2Very high90.7Very high0 Ų049.5 Ų49.50%027%0.268CS..Hα-helixtrans-59-42.6174.6172.20000112.4C645 N647 S648 T649 R655 I667 V669 L690 T692C645-V651 HydrophobicContact CB-CG2 3.56Å; N647-V651 PolarHBondContact O-N 2.93Å; S648-V651 PolarHBondContact O-N 2.93Å; T649-V651 VanDerWaalsContact C-N 3.33Å; T649-V651 PolarHBondContact O-N 3.16Å; V651-R655 WeakPolarHBondContact O-CB 3.29Å; V651-R655 PolarHBondContact O-N 3.22Å; V651-I667 HydrophobicContact CG1-CB 4.41Å; V651-I667 HydrophobicContact CG1-CD1 3.72Å; V651-I667 HydrophobicContact CG1-CG1 3.73Å; V651-I667 HydrophobicContact CG1-CG2 3.91Å; V651-V669 HydrophobicContact CB-CG1 4.08Å; V651-V669 HydrophobicContact CG1-CG1 3.92Å; V651-V669 HydrophobicContact CG2-CG1 4.1Å; V651-L690 HydrophobicContact CG1-CB 3.71Å; V651-L690 HydrophobicContact CG1-CD1 4.13Å; V651-T692 HydrophobicContact CG2-CG2 4.06Å
652L92.3Very high90.3Very high99 Ų9952.6 Ų52.652%0.51830%0.3SS..Hα-helixtrans-70.2-41.3-179.5-70.4172.8000112.7S648 T649 E650 R656 I667S648-L652 WeakPolarHBondContact O-CG 3.22Å; S648-L652 PolarHBondContact O-N 3.36Å; S648-L652 VanDerWaalsContact O-N 3.09Å; T649-L652 PolarHBondContact O-N 2.87Å; E650-L652 PolarHBondContact O-N 3.46Å; L652-R656 WeakPolarHBondContact O-CG 3.38Å; L652-R656 PolarHBondContact O-N 3.02Å; L652-I667 HydrophobicContact CD2-CD1 4.08Å
653L91.8Very high89.7Confident96 Ų9654 Ų5450%0.50331%0.309SS..Hα-helixtrans-64.4-46.8175.2-68.8173.4000110.7T649 E650 R655 R656 S657T649-L653 HydrophobicContact CG2-CD1 4.29Å; T649-L653 WeakPolarHBondContact O-CG 3.4Å; T649-L653 PolarHBondContact O-N 2.78Å; E650-L653 PolarHBondContact O-N 2.95Å; L653-R655 PolarHBondContact O-N 2.84Å; L653-R656 WeakPolarHBondContact O-CB 3.34Å; L653-R656 PolarHBondContact O-N 3.23Å; L653-R656 VanDerWaalsContact O-N 3.16Å; L653-S657 PolarHBondContact O-N 3.43Å; L653-S657 VanDerWaalsContact O-N 3.1Å; L653-S657 PolarHBondContact O-OG 2.68Å
654L91.8Very high89Confident5 Ų560.1 Ų60.13%0.02634%0.341CS..Hα-helixtrans-64.4-38.1-180-174.853.5000112.3I623 L626 M643 E650 R656 S657 L658 L690 Y710I623-L654 HydrophobicContact CD1-CD1 3.43Å; I623-L654 VanDerWaalsContact CD1-CD1 3.43Å; L626-L654 HydrophobicContact CD2-CD1 4.43Å; M643-L654 HydrophobicContact SD-CD2 3.41Å; M643-L654 WeakPolarHBondContact SD-CD2 3.48Å; M643-L654 HydrophobicContact SD-CG 4.44Å; E650-L654 WeakPolarHBondContact O-CB 3.43Å; E650-L654 PolarHBondContact O-N 2.98Å; L654-R656 VanDerWaalsContact C-N 3.33Å; L654-R656 PolarHBondContact O-N 3.08Å; L654-S657 PolarHBondContact O-N 3.04Å; L654-L658 HydrophobicContact CD1-CD1 4.22Å; L654-L658 HydrophobicContact CD1-CG 4.22Å; L654-L658 HydrophobicContact CG-CD1 3.9Å; L654-L658 HydrophobicContact CG-CG 4.4Å; L654-L658 WeakPolarHBondContact O-CB 3.38Å; L654-L658 VanDerWaalsContact O-CG 3.28Å; L654-L658 WeakPolarHBondContact O-CG 3.41Å; L654-L658 PolarHBondContact O-N 3.32Å; L654-L690 HydrophobicContact CD2-CD2 4.43Å; L654-Y710 HydrophobicContact CD1-CD2 4.35Å; L654-Y710 HydrophobicContact CD1-CE2 3.72Å; L654-Y710 HydrophobicContact CD2-CD1 4.04Å; L654-Y710 HydrophobicContact CD2-CD2 3.56Å; L654-Y710 HydrophobicContact CD2-CE1 4.23Å; L654-Y710 HydrophobicContact CD2-CE2 3.74Å; L654-Y710 HydrophobicContact CD2-CG 3.72Å; L654-Y710 HydrophobicContact CG-CE2 4.41Å
655R90.8Very high88.5Confident90 Ų9060.4 Ų60.434%0.3434%0.344SS..Hα-helixtrans-58.4-42.7172.7177.7169.9176.5168.54.3112.3V651 L653 L658 Q659 I667 L690V651-R655 WeakPolarHBondContact O-CB 3.29Å; V651-R655 PolarHBondContact O-N 3.22Å; L653-R655 PolarHBondContact O-N 2.84Å; R655-L658 PolarHBondContact O-N 3.4Å; R655-Q659 HydrophobicContact CG-CG 4.31Å; R655-Q659 WeakPolarHBondContact O-CB 3.38Å; R655-Q659 VanDerWaalsContact O-CG 3.27Å; R655-Q659 WeakPolarHBondContact O-CG 3.18Å; R655-Q659 PolarHBondContact O-N 3.01Å; R655-I667 HydrophobicContact CB-CD1 4.1Å; R655-I667 HydrophobicContact CG-CD1 4.32Å; R655-L690 HydrophobicContact CB-CD1 3.94Å
656R90.4Very high88.2Confident170 Ų17062 Ų6264%0.64235%0.351SS*.Hα-helixtrans-63.5-44.9177.5-67.1173.7-175.8173.71.4110.9L652 L653 L654 L658 Q659 A660L652-R656 WeakPolarHBondContact O-CG 3.38Å; L652-R656 PolarHBondContact O-N 3.02Å; L653-R656 WeakPolarHBondContact O-CB 3.34Å; L653-R656 PolarHBondContact O-N 3.23Å; L653-R656 VanDerWaalsContact O-N 3.16Å; L654-R656 VanDerWaalsContact C-N 3.33Å; L654-R656 PolarHBondContact O-N 3.08Å; R656-L658 VanDerWaalsContact C-N 3.34Å; R656-L658 PolarHBondContact O-N 2.65Å; R656-Q659 PolarHBondContact O-N 3.14Å; R656-A660 PolarHBondContact O-N 3.3Å
657S88.6Confident88.3Confident52 Ų5260.5 Ų60.536%0.36434%0.339SS..Hα-helixtrans-61.2-41.2176.4-55.50000112.3L653 L654 A660 I661L653-S657 PolarHBondContact O-N 3.43Å; L653-S657 VanDerWaalsContact O-N 3.1Å; L653-S657 PolarHBondContact O-OG 2.68Å; L654-S657 PolarHBondContact O-N 3.04Å; S657-A660 PolarHBondContact O-N 3.49Å; S657-I661 PolarHBondContact O-N 2.98Å
658L86.6Confident88.4Confident0 Ų057.3 Ų57.30%032%0.322CS..Hα-helixtrans-66.8-43.1176.5-74.9166.3000112.4L626 L654 R655 R656 A660 I661 G662 V663 A665 L688 L690L626-L658 HydrophobicContact CD2-CD2 3.61Å; L626-L658 HydrophobicContact CD2-CG 4.48Å; L626-L658 HydrophobicContact CG-CD2 4.39Å; L654-L658 HydrophobicContact CD1-CD1 4.22Å; L654-L658 HydrophobicContact CD1-CG 4.22Å; L654-L658 HydrophobicContact CG-CD1 3.9Å; L654-L658 HydrophobicContact CG-CG 4.4Å; L654-L658 WeakPolarHBondContact O-CB 3.38Å; L654-L658 VanDerWaalsContact O-CG 3.28Å; L654-L658 WeakPolarHBondContact O-CG 3.41Å; L654-L658 PolarHBondContact O-N 3.32Å; R655-L658 PolarHBondContact O-N 3.4Å; R656-L658 VanDerWaalsContact C-N 3.34Å; R656-L658 PolarHBondContact O-N 2.65Å; L658-A660 VanDerWaalsContact C-N 3.32Å; L658-A660 PolarHBondContact O-N 3.45Å; L658-I661 HydrophobicContact CD2-CD1 4.1Å; L658-I661 CarbonylContact O-C 3.57Å; L658-I661 WeakPolarHBondContact O-CG1 3.34Å; L658-I661 PolarHBondContact O-N 3.45Å; L658-I661 VanDerWaalsContact O-N 3.14Å; L658-G662 PolarHBondContact O-N 3.25Å; L658-V663 CarbonylContact C-O 3.52Å; L658-V663 HydrophobicContact CB-CB 4.21Å; L658-V663 HydrophobicContact CB-CG1 4.47Å; L658-V663 HydrophobicContact CD2-CB 4Å; L658-V663 HydrophobicContact CD2-CG1 3.93Å; L658-V663 PolarHBondContact O-N 3.1Å; L658-A665 HydrophobicContact CD1-CB 4.08Å; L658-L688 HydrophobicContact CD1-CD2 3.73Å; L658-L688 HydrophobicContact CD2-CD2 4.44Å; L658-L690 HydrophobicContact CD1-CD1 4.13Å; L658-L690 HydrophobicContact CD1-CD2 4.01Å
659Q86.8Confident88.3Confident91 Ų9156.4 Ų56.443%0.42531%0.314SS..Hα-helixtrans-62.3-39.5175.6-75.1175.5-43.600111.9R655 R656 I661 G662R655-Q659 HydrophobicContact CG-CG 4.31Å; R655-Q659 WeakPolarHBondContact O-CB 3.38Å; R655-Q659 VanDerWaalsContact O-CG 3.27Å; R655-Q659 WeakPolarHBondContact O-CG 3.18Å; R655-Q659 PolarHBondContact O-N 3.01Å; R656-Q659 PolarHBondContact O-N 3.14Å; Q659-I661 PolarHBondContact O-N 3.35Å; Q659-G662 PolarHBondContact O-N 2.86Å; Q659-G662 VanDerWaalsContact O-N 3.1Å
660A86.6Confident88.1Confident88 Ų8854.8 Ų54.873%0.72731%0.306SS*.Hα-helixtrans-63.5-21.5176.300000113.7R656 S657 L658R656-A660 PolarHBondContact O-N 3.3Å; S657-A660 PolarHBondContact O-N 3.49Å; L658-A660 VanDerWaalsContact C-N 3.32Å; L658-A660 PolarHBondContact O-N 3.45Å
661I80.1Confident87.6Confident58 Ų5858 Ų5830%0.29732%0.321SS..THydrogen-bonded Turntrans-105.114.7176.667168.2000112.8I623 K627 S657 L658 Q659 V663I623-I661 HydrophobicContact CG2-CD1 4.3Å; K627-I661 HydrophobicContact CD-CD1 4.38Å; K627-I661 VanDerWaalsContact CE-CG2 3.48Å; K627-I661 HydrophobicContact CG-CD1 3.69Å; S657-I661 PolarHBondContact O-N 2.98Å; L658-I661 HydrophobicContact CD2-CD1 4.1Å; L658-I661 CarbonylContact O-C 3.57Å; L658-I661 WeakPolarHBondContact O-CG1 3.34Å; L658-I661 PolarHBondContact O-N 3.45Å; L658-I661 VanDerWaalsContact O-N 3.14Å; Q659-I661 PolarHBondContact O-N 3.35Å; I661-V663 HydrophobicContact CD1-CG2 4.18Å; I661-V663 HydrophobicContact CG1-CB 4.43Å; I661-V663 HydrophobicContact CG1-CG2 4.08Å; I661-V663 PolarHBondContact O-N 2.72Å
662G79.7Confident87.1Confident66 Ų6662.2 Ų62.268%0.6836%0.356SS*.THydrogen-bonded Turntrans79.29.217600000115.8L658 Q659L658-G662 PolarHBondContact O-N 3.25Å; Q659-G662 PolarHBondContact O-N 2.86Å; Q659-G662 VanDerWaalsContact O-N 3.1Å
663V79.9Confident86.8Confident30 Ų3058.7 Ų58.718%0.18234%0.34CS..  trans-95.3112.6-179.7178.10000110.2I630 L658 I661I630-V663 HydrophobicContact CD1-CG1 4.32Å; I630-V663 HydrophobicContact CD1-CG2 4.13Å; L658-V663 CarbonylContact C-O 3.52Å; L658-V663 HydrophobicContact CB-CB 4.21Å; L658-V663 HydrophobicContact CB-CG1 4.47Å; L658-V663 HydrophobicContact CD2-CB 4Å; L658-V663 HydrophobicContact CD2-CG1 3.93Å; L658-V663 PolarHBondContact O-N 3.1Å; I661-V663 HydrophobicContact CD1-CG2 4.18Å; I661-V663 HydrophobicContact CG1-CB 4.43Å; I661-V663 HydrophobicContact CG1-CG2 4.08Å; I661-V663 PolarHBondContact O-N 2.72Å
664N79.6Confident86.5Confident128 Ų12857.2 Ų57.268%0.68433%0.328SS*.  trans-76.6127.1173.4-77.7-37000111.1
665A86.2Confident86.1Confident6 Ų660.6 Ų60.65%0.0535%0.351CS..EExtended strand (participates in β ladder)trans-130.9128.1-178.800000111.9L658 L688 L690L658-A665 HydrophobicContact CD1-CB 4.08Å; A665-L688 CarbonylContact C-O 3.58Å; A665-L688 VanDerWaalsContact CA-O 3.29Å; A665-L688 WeakPolarHBondContact CA-O 3.48Å; A665-L688 HydrophobicContact CB-CB 4.29Å; A665-L688 HydrophobicContact CB-CD2 4.42Å; A665-L690 HydrophobicContact CB-CD1 4.01Å; A665-L690 HydrophobicContact CB-CD2 4.49Å; A665-L690 HydrophobicContact CB-CG 3.98Å
666H88.9Confident85.7Confident33 Ų3358.5 Ų58.515%0.15335%0.347CS..EExtended strand (participates in β ladder)trans-81156.4171.5-67.4-105.3000109.8W680 L688 L689 L690H666-W680 HydrophobicContact CB-CB 4.1Å; H666-W680 HydrophobicContact CB-CG 4.43Å; H666-W680 AromaticContact CD2-CD1 3.76Å; H666-L688 PolarHBondContact N-O 2.96Å; H666-L689 HydrophobicContact CB-CD1 3.83Å; H666-L690 PolarHBondContact O-N 2.95Å
667I91.8Very high85.5Confident15 Ų1550.9 Ų50.98%0.07732%0.319CS..EExtended strand (participates in β ladder)trans-122.5134.4-179.7-71.2-178.4000110.3V651 L652 R655 V669 N676 L690V651-I667 HydrophobicContact CG1-CB 4.41Å; V651-I667 HydrophobicContact CG1-CD1 3.72Å; V651-I667 HydrophobicContact CG1-CG1 3.73Å; V651-I667 HydrophobicContact CG1-CG2 3.91Å; L652-I667 HydrophobicContact CD2-CD1 4.08Å; R655-I667 HydrophobicContact CB-CD1 4.1Å; R655-I667 HydrophobicContact CG-CD1 4.32Å; I667-V669 HydrophobicContact CG2-CB 4.44Å; I667-V669 HydrophobicContact CG2-CG1 3.77Å; I667-V669 HydrophobicContact CG2-CG2 4.13Å; I667-N676 WeakPolarHBondContact O-CB 3.45Å; I667-N676 PolarHBondContact O-ND2 3.4Å; I667-L690 WeakPolarHBondContact CA-O 3.3Å; I667-L690 HydrophobicContact CG1-CB 4.41Å; I667-L690 HydrophobicContact CG1-CD1 4.45Å
668C91.4Very high85.1Confident0 Ų051 Ų510%032%0.324CS..EExtended strand (participates in β ladder)trans-134.898.8162.4-173.30000110.1C673 V677 L689 L690 V691 V695C668-C673 HydrophobicContact CB-CB 4.3Å; C668-V677 HydrophobicContact CB-CG2 3.89Å; C668-L689 HydrophobicContact CB-CD1 4.27Å; C668-L690 PolarHBondContact N-O 3.22Å; C668-V691 HydrophobicContact CB-CG1 4.11Å; C668-V691 WeakPolarHBondContact O-CA 3.45Å; C668-V695 WeakPolarHBondContact O-CG2 3.35Å
669V90.3Very high84.8Confident42 Ų4254.2 Ų54.226%0.25534%0.339SS..SBendtrans-107.2-10.3-179.7-70.50000113.8V651 I667 T692V651-V669 HydrophobicContact CB-CG1 4.08Å; V651-V669 HydrophobicContact CG1-CG1 3.92Å; V651-V669 HydrophobicContact CG2-CG1 4.1Å; I667-V669 HydrophobicContact CG2-CB 4.44Å; I667-V669 HydrophobicContact CG2-CG1 3.77Å; I667-V669 HydrophobicContact CG2-CG2 4.13Å; V669-T692 HydrophobicContact CG1-CG2 4.12Å
670S89.2Confident84.8Confident53 Ų5349.9 Ų49.937%0.37132%0.318SS..SBendtrans-152.4167.4177.970.20000110.6A672 C673S670-A672 PolarHBondContact O-N 3.46Å; S670-C673 WeakPolarHBondContact O-CB 3.46Å; S670-C673 PolarHBondContact O-N 3.33Å
671E83.7Confident84.4Confident95 Ų9549.6 Ų49.644%0.44431%0.305SS..G310 helixtrans-61-29.5179.9-50.9-148.9119.400112.9C673 Y674 R698E671-C673 PolarHBondContact O-N 3.19Å; E671-C673 VanDerWaalsContact O-N 3.16Å; E671-Y674 HydrophobicContact CB-CD2 3.96Å; E671-Y674 HydrophobicContact CB-CE2 3.49Å; E671-Y674 VanDerWaalsContact CB-CE2 3.49Å; E671-Y674 HydrophobicContact CG-CE2 3.73Å; E671-Y674 WeakPolarHBondContact O-CB 3.31Å; E671-Y674 WeakPolarHBondContact O-CD2 3.46Å; E671-Y674 VanDerWaalsContact O-CG 3.29Å; E671-Y674 PolarHBondContact O-N 3.21Å; E671-Y674 VanDerWaalsContact O-N 3.09Å; E671-Y674 PolarHBondContact OE1-OH 3.11Å; E671-R698 VanDerWaalsContact CD-NH1 3.25Å; E671-R698 WeakPolarHBondContact OE1-CD 3.38Å; E671-R698 IonicContact OE1-CZ 3.64Å; E671-R698 IonicContact OE1-NE 2.88Å; E671-R698 IonicContact OE1-NH1 3.54Å; E671-R698 PolarHBondContact OE1-NH1 3.13Å; E671-R698 IonicContact OE2-NH1 3.39Å; E671-R698 PolarHBondContact OE2-NH1 3.16Å
672A83.8Confident84.2Confident89 Ų8955.1 Ų55.174%0.73632%0.321SS*.G310 helixtrans-61.9-20.3174.300000112.9S670S670-A672 PolarHBondContact O-N 3.46Å
673C84.8Confident83.5Confident26 Ų2657 Ų5718%0.17631%0.313CS..G310 helixtrans-93.58.7177-57.40000113.7C668 S670 E671 S675 N676C668-C673 HydrophobicContact CB-CB 4.3Å; S670-C673 WeakPolarHBondContact O-CB 3.46Å; S670-C673 PolarHBondContact O-N 3.33Å; E671-C673 PolarHBondContact O-N 3.19Å; E671-C673 VanDerWaalsContact O-N 3.16Å; C673-S675 PolarHBondContact O-N 3.43Å; C673-N676 VanDerWaalsContact O-CB 3.26Å; C673-N676 WeakPolarHBondContact O-CB 3.48Å; C673-N676 PolarHBondContact O-N 3.34Å
674Y85.8Confident82.3Confident65 Ų6557.4 Ų57.426%0.25532%0.317SS..Hα-helixtrans-64.7-24.4179.4-70.9-31.2000113.6E671 N676 V677 A678 V695 R698 L699E671-Y674 HydrophobicContact CB-CD2 3.96Å; E671-Y674 HydrophobicContact CB-CE2 3.49Å; E671-Y674 VanDerWaalsContact CB-CE2 3.49Å; E671-Y674 HydrophobicContact CG-CE2 3.73Å; E671-Y674 WeakPolarHBondContact O-CB 3.31Å; E671-Y674 WeakPolarHBondContact O-CD2 3.46Å; E671-Y674 VanDerWaalsContact O-CG 3.29Å; E671-Y674 PolarHBondContact O-N 3.21Å; E671-Y674 VanDerWaalsContact O-N 3.09Å; E671-Y674 PolarHBondContact OE1-OH 3.11Å; Y674-N676 PolarHBondContact O-N 3.31Å; Y674-V677 WeakPolarHBondContact O-CB 3.31Å; Y674-V677 PolarHBondContact O-N 2.9Å; Y674-V677 VanDerWaalsContact O-N 3.12Å; Y674-A678 PolarHBondContact O-N 3.48Å; Y674-V695 HydrophobicContact CE1-CB 4.14Å; Y674-V695 HydrophobicContact CE1-CG1 4.29Å; Y674-R698 WeakPolarHBondContact OH-CB 3.33Å; Y674-L699 HydrophobicContact CD1-CD1 4.19Å; Y674-L699 HydrophobicContact CE1-CD1 4.08Å
675S82.7Confident81.1Confident75 Ų7554.7 Ų54.752%0.52431%0.306SS..Hα-helixtrans-55.1-40168.346.70000112.3C673 V677 A678 E679C673-S675 PolarHBondContact O-N 3.43Å; S675-V677 PolarHBondContact O-N 3.46Å; S675-A678 CarbonylContact O-C 3.57Å; S675-A678 PolarHBondContact O-N 3.15Å; S675-A678 VanDerWaalsContact O-N 3.16Å; S675-E679 PolarHBondContact O-N 3.16Å
676N83.5Confident79.6Confident47 Ų4756.9 Ų56.925%0.25132%0.321SS..Hα-helixtrans-64.4-25.3179.5-54.5-3.6000112.2I667 C673 Y674 W680I667-N676 WeakPolarHBondContact O-CB 3.45Å; I667-N676 PolarHBondContact O-ND2 3.4Å; C673-N676 VanDerWaalsContact O-CB 3.26Å; C673-N676 WeakPolarHBondContact O-CB 3.48Å; C673-N676 PolarHBondContact O-N 3.34Å; Y674-N676 PolarHBondContact O-N 3.31Å; N676-W680 VanDerWaalsContact O-CB 3.25Å; N676-W680 WeakPolarHBondContact O-CB 3.42Å; N676-W680 PolarHBondContact O-N 3.08Å
677V85.6Confident78.8Confident9 Ų955.5 Ų55.56%0.05532%0.316CS..Hα-helixtrans-74.5-43.8176.1-172.20000110C668 Y674 S675 E679 W680 L681 L689 L699C668-V677 HydrophobicContact CB-CG2 3.89Å; Y674-V677 WeakPolarHBondContact O-CB 3.31Å; Y674-V677 PolarHBondContact O-N 2.9Å; Y674-V677 VanDerWaalsContact O-N 3.12Å; S675-V677 PolarHBondContact O-N 3.46Å; V677-E679 PolarHBondContact O-N 2.95Å; V677-W680 HydrophobicContact CG1-CE3 4.07Å; V677-W680 HydrophobicContact CG1-CZ3 4.39Å; V677-W680 PolarHBondContact O-N 2.85Å; V677-L681 HydrophobicContact CG1-CD1 4.35Å; V677-L681 WeakPolarHBondContact O-CB 3.14Å; V677-L681 VanDerWaalsContact O-CG 3.28Å; V677-L681 WeakPolarHBondContact O-CG 3.19Å; V677-L681 PolarHBondContact O-N 2.88Å; V677-L689 HydrophobicContact CG1-CD2 4.35Å; V677-L689 HydrophobicContact CG2-CD2 4.36Å; V677-L699 HydrophobicContact CG1-CD1 4.42Å; V677-L699 HydrophobicContact CG2-CD1 3.69Å
678A80.9Confident78.6Confident56 Ų5654.9 Ų54.946%0.46331%0.313SS..Hα-helixtrans-70.4-16.7173.500000113.1Y674 S675 R682Y674-A678 PolarHBondContact O-N 3.48Å; S675-A678 CarbonylContact O-C 3.57Å; S675-A678 PolarHBondContact O-N 3.15Å; S675-A678 VanDerWaalsContact O-N 3.16Å; A678-R682 WeakPolarHBondContact O-CB 3.38Å; A678-R682 PolarHBondContact O-NE 3.37Å; A678-R682 PolarHBondContact O-NH2 3.42Å
679E80.6Confident78.6Confident66 Ų6654.9 Ų54.931%0.30831%0.313SS..Hα-helixtrans-82.6-50.6170.1-175171.6-138.700111.5S675 V677 L681 R682 Q683S675-E679 PolarHBondContact O-N 3.16Å; V677-E679 PolarHBondContact O-N 2.95Å; E679-L681 VanDerWaalsContact C-N 3.34Å; E679-L681 PolarHBondContact O-N 3.48Å; E679-R682 WeakPolarHBondContact O-CB 3.4Å; E679-R682 PolarHBondContact O-N 2.79Å; E679-Q683 HydrophobicContact CG-CG 4.07Å; E679-Q683 VanDerWaalsContact CG-NE2 3.3Å; E679-Q683 VanDerWaalsContact CG-OE1 3.27Å; E679-Q683 WeakPolarHBondContact O-CB 3.27Å; E679-Q683 PolarHBondContact O-N 3.44Å; E679-Q683 PolarHBondContact OE1-NE2 2.95Å
680W84.9Confident78.7Confident0 Ų052.9 Ų52.90%030%0.301CS..Hα-helixtrans-50.6-50.6173.4167.962.5000112.1P640 V642 H666 N676 V677 R682 S684 G687 L689 C701 I704P640-W680 HydrophobicContact CB-CH2 4Å; P640-W680 HydrophobicContact CB-CZ2 3.54Å; V642-W680 HydrophobicContact CG2-CH2 3.64Å; V642-W680 HydrophobicContact CG2-CZ2 4.19Å; V642-W680 HydrophobicContact CG2-CZ3 4.46Å; H666-W680 HydrophobicContact CB-CB 4.1Å; H666-W680 HydrophobicContact CB-CG 4.43Å; H666-W680 AromaticContact CD2-CD1 3.76Å; N676-W680 VanDerWaalsContact O-CB 3.25Å; N676-W680 WeakPolarHBondContact O-CB 3.42Å; N676-W680 PolarHBondContact O-N 3.08Å; V677-W680 HydrophobicContact CG1-CE3 4.07Å; V677-W680 HydrophobicContact CG1-CZ3 4.39Å; V677-W680 PolarHBondContact O-N 2.85Å; W680-R682 PolarHBondContact O-N 3.35Å; W680-R682 VanDerWaalsContact O-N 3.13Å; W680-S684 PolarHBondContact O-N 2.97Å; W680-G687 VanDerWaalsContact NE1-C 3.28Å; W680-G687 PolarHBondContact NE1-O 3.17Å; W680-L689 HydrophobicContact CD2-CB 3.82Å; W680-L689 HydrophobicContact CD2-CD1 4.45Å; W680-L689 HydrophobicContact CD2-CD2 4.25Å; W680-L689 HydrophobicContact CD2-CG 4.39Å; W680-L689 HydrophobicContact CE3-CB 4.18Å; W680-L689 HydrophobicContact CE3-CD2 3.77Å; W680-L689 HydrophobicContact CE3-CG 4.4Å; W680-L689 HydrophobicContact CG-CB 4.32Å; W680-L689 HydrophobicContact CG-CD1 4.47Å; W680-L689 HydrophobicContact CH2-CB 4.18Å; W680-L689 HydrophobicContact CH2-CD2 4.25Å; W680-L689 HydrophobicContact CZ2-CB 3.79Å; W680-L689 HydrophobicContact CZ3-CB 4.36Å; W680-L689 HydrophobicContact CZ3-CD2 3.79Å; W680-C701 HydrophobicContact CH2-CB 4.19Å; W680-C701 HydrophobicContact CZ3-CB 3.91Å; W680-I704 HydrophobicContact CH2-CG2 4.27Å
681L79.5Confident79Confident83 Ų8350.4 Ų50.444%0.43528%0.283SS..Hα-helixtrans-62.5-18.3177.1-71.2172.5000114.6V677 E679 C701V677-L681 HydrophobicContact CG1-CD1 4.35Å; V677-L681 WeakPolarHBondContact O-CB 3.14Å; V677-L681 VanDerWaalsContact O-CG 3.28Å; V677-L681 WeakPolarHBondContact O-CG 3.19Å; V677-L681 PolarHBondContact O-N 2.88Å; E679-L681 VanDerWaalsContact C-N 3.34Å; E679-L681 PolarHBondContact O-N 3.48Å; L681-C701 WeakPolarHBondContact CD2-O 3.46Å
682R75.4Confident79.6Confident173 Ų17346 Ų4665%0.65326%0.263SS*.Hα-helixtrans-103.9-38.2-174.2-166.5-159.4-36.8136.117.1112.9A678 E679 W680A678-R682 WeakPolarHBondContact O-CB 3.38Å; A678-R682 PolarHBondContact O-NE 3.37Å; A678-R682 PolarHBondContact O-NH2 3.42Å; E679-R682 WeakPolarHBondContact O-CB 3.4Å; E679-R682 PolarHBondContact O-N 2.79Å; W680-R682 PolarHBondContact O-N 3.35Å; W680-R682 VanDerWaalsContact O-N 3.13Å
683Q64.4Low80Confident107 Ų10742.1 Ų42.150%0.523%0.23SC..Hα-helixtrans-89.9-31.8-173.5-72.9176.4-6.400112.9E679E679-Q683 HydrophobicContact CG-CG 4.07Å; E679-Q683 VanDerWaalsContact CG-NE2 3.3Å; E679-Q683 VanDerWaalsContact CG-OE1 3.27Å; E679-Q683 WeakPolarHBondContact O-CB 3.27Å; E679-Q683 PolarHBondContact O-N 3.44Å; E679-Q683 PolarHBondContact OE1-NE2 2.95Å
684S55.3Low80.4Confident38 Ų3845.8 Ų45.827%0.26625%0.248SC..  trans-150.195.2-171.7-66.50000111.9W680 S686 G687W680-S684 PolarHBondContact O-N 2.97Å; S684-S686 PolarHBondContact O-N 3.27Å; S684-G687 PolarHBondContact O-N 3.14Å; S684-G687 VanDerWaalsContact O-N 3.07Å
685P53.8Low80.7Confident70 Ų7042.8 Ų42.846%0.45524%0.236SC..THydrogen-bonded Turntrans-57.1-16.8159.426.6-34.1000111.9N638 E639 P640N638-P685 CarbonylContact C-O 3.55Å; N638-P685 VanDerWaalsContact C-O 3.25Å; E639-P685 CarbonylContact C-O 3.25Å; E639-P685 WeakPolarHBondContact CA-O 3.38Å; E639-P685 PolarHBondContact N-O 2.99Å; E639-P685 VanDerWaalsContact N-O 3.16Å; P640-P685 WeakPolarHBondContact CD-O 3.43Å
686S56.3Low81.1Confident52 Ų5239.3 Ų39.336%0.36421%0.211SC..THydrogen-bonded Turntrans-75.6-7.1173.9-29.80000116.6F636 A637 S684F636-S686 WeakPolarHBondContact O-CA 3.37Å; A637-S686 WeakPolarHBondContact O-CA 3.44Å; A637-S686 WeakPolarHBondContact O-CB 3.46Å; A637-S686 PolarHBondContact O-OG 2.99Å; S684-S686 PolarHBondContact O-N 3.27Å
687G72Confident81.3Confident5 Ų541 Ų415%0.05223%0.225CC..  trans-90.5147.3-159.600000115.1A641 W680 S684A641-G687 PolarHBondContact N-O 3.2Å; W680-G687 VanDerWaalsContact NE1-C 3.28Å; W680-G687 PolarHBondContact NE1-O 3.17Å; S684-G687 PolarHBondContact O-N 3.14Å; S684-G687 VanDerWaalsContact O-N 3.07Å
688L85.9Confident81.3Confident2 Ų248.5 Ų48.51%0.0125%0.252CS..EExtended strand (participates in β ladder)trans-89.3130.4165.1-174.365.5000110.6A641 M643 L658 A665 H666 L690A641-L688 HydrophobicContact CB-CD1 3.69Å; M643-L688 HydrophobicContact CB-CD1 4.03Å; M643-L688 HydrophobicContact CE-CD1 4.26Å; M643-L688 HydrophobicContact CE-CD2 3.86Å; M643-L688 HydrophobicContact SD-CD2 4.45Å; L658-L688 HydrophobicContact CD1-CD2 3.73Å; L658-L688 HydrophobicContact CD2-CD2 4.44Å; A665-L688 CarbonylContact C-O 3.58Å; A665-L688 VanDerWaalsContact CA-O 3.29Å; A665-L688 WeakPolarHBondContact CA-O 3.48Å; A665-L688 HydrophobicContact CB-CB 4.29Å; A665-L688 HydrophobicContact CB-CD2 4.42Å; H666-L688 PolarHBondContact N-O 2.96Å; L688-L690 HydrophobicContact CD2-CD2 3.81Å; L688-L690 HydrophobicContact CG-CD2 4.04Å
689L91.6Very high81.6Confident0 Ų046.6 Ų46.60%023%0.234CC..EExtended strand (participates in β ladder)trans-106116.9171.3-178.171.1000110.5A641 V642 M643 H666 C668 V677 W680 V691 L699A641-L689 PolarHBondContact O-N 2.87Å; V642-L689 HydrophobicContact CG2-CD2 4.48Å; M643-L689 PolarHBondContact N-O 3.16Å; H666-L689 HydrophobicContact CB-CD1 3.83Å; C668-L689 HydrophobicContact CB-CD1 4.27Å; V677-L689 HydrophobicContact CG1-CD2 4.35Å; V677-L689 HydrophobicContact CG2-CD2 4.36Å; W680-L689 HydrophobicContact CD2-CB 3.82Å; W680-L689 HydrophobicContact CD2-CD1 4.45Å; W680-L689 HydrophobicContact CD2-CD2 4.25Å; W680-L689 HydrophobicContact CD2-CG 4.39Å; W680-L689 HydrophobicContact CE3-CB 4.18Å; W680-L689 HydrophobicContact CE3-CD2 3.77Å; W680-L689 HydrophobicContact CE3-CG 4.4Å; W680-L689 HydrophobicContact CG-CB 4.32Å; W680-L689 HydrophobicContact CG-CD1 4.47Å; W680-L689 HydrophobicContact CH2-CB 4.18Å; W680-L689 HydrophobicContact CH2-CD2 4.25Å; W680-L689 HydrophobicContact CZ2-CB 3.79Å; W680-L689 HydrophobicContact CZ3-CB 4.36Å; W680-L689 HydrophobicContact CZ3-CD2 3.79Å; L689-V691 HydrophobicContact CD2-CG1 3.78Å; L689-V691 HydrophobicContact CG-CG1 3.72Å; L689-L699 HydrophobicContact CD2-CD2 4.31Å
690L94Very high81.8Confident0 Ų051.7 Ų51.70%026%0.256CS..EExtended strand (participates in β ladder)trans-89.7127.1173.4-51.5179.9000110.3M643 V651 L654 R655 L658 A665 H666 I667 C668 L688M643-L690 HydrophobicContact CB-CD2 3.94Å; M643-L690 HydrophobicContact CG-CD2 4.23Å; M643-L690 WeakPolarHBondContact O-CA 3.34Å; M643-L690 HydrophobicContact SD-CD2 3.68Å; V651-L690 HydrophobicContact CG1-CB 3.71Å; V651-L690 HydrophobicContact CG1-CD1 4.13Å; L654-L690 HydrophobicContact CD2-CD2 4.43Å; R655-L690 HydrophobicContact CB-CD1 3.94Å; L658-L690 HydrophobicContact CD1-CD1 4.13Å; L658-L690 HydrophobicContact CD1-CD2 4.01Å; A665-L690 HydrophobicContact CB-CD1 4.01Å; A665-L690 HydrophobicContact CB-CD2 4.49Å; A665-L690 HydrophobicContact CB-CG 3.98Å; H666-L690 PolarHBondContact O-N 2.95Å; I667-L690 WeakPolarHBondContact CA-O 3.3Å; I667-L690 HydrophobicContact CG1-CB 4.41Å; I667-L690 HydrophobicContact CG1-CD1 4.45Å; C668-L690 PolarHBondContact N-O 3.22Å; L688-L690 HydrophobicContact CD2-CD2 3.81Å; L688-L690 HydrophobicContact CG-CD2 4.04Å
691V95.6Very high81.7Confident0 Ų052 Ų520%026%0.257CS..EExtended strand (participates in β ladder)trans-136.6163.6-178.9-530000112.8V642 M643 V644 C645 C668 L689 V695 V696 L699V642-V691 HydrophobicContact CG1-CG1 4.36Å; V642-V691 HydrophobicContact CG1-CG2 3.88Å; M643-V691 PolarHBondContact O-N 3.18Å; V644-V691 WeakPolarHBondContact CA-O 3.49Å; V644-V691 HydrophobicContact CB-CG2 4.24Å; V644-V691 HydrophobicContact CG1-CG2 4.21Å; V644-V691 HydrophobicContact CG2-CG2 3.8Å; C645-V691 PolarHBondContact N-O 2.89Å; C668-V691 HydrophobicContact CB-CG1 4.11Å; C668-V691 WeakPolarHBondContact O-CA 3.45Å; L689-V691 HydrophobicContact CD2-CG1 3.78Å; L689-V691 HydrophobicContact CG-CG1 3.72Å; V691-V695 HydrophobicContact CB-CG2 3.78Å; V691-V695 HydrophobicContact CG1-CG2 4.29Å; V691-V696 HydrophobicContact CG2-CG2 4.29Å; V691-L699 HydrophobicContact CG1-CD2 3.85Å; V691-L699 HydrophobicContact CG2-CD2 4.46Å
692T94.9Very high81.9Confident2 Ų249.9 Ų49.91%0.01226%0.256CS..EExtended strand (participates in β ladder)trans-104.7162.5167.553.50000111N647 V651 V669 D694 V695N647-T692 VanDerWaalsContact C-CG2 3.4Å; V651-T692 HydrophobicContact CG2-CG2 4.06Å; V669-T692 HydrophobicContact CG1-CG2 4.12Å; T692-D694 PolarHBondContact O-N 3.31Å; T692-V695 VanDerWaalsContact O-CG2 3.31Å; T692-V695 WeakPolarHBondContact O-CG2 3.5Å; T692-V695 PolarHBondContact O-N 2.98Å
693D93.6Very high82.4Confident8 Ų848 Ų484%0.04325%0.253CS..THydrogen-bonded Turntrans-57.2-18.9174.9-77.4-67.9000114.2A713 R718 R722D693-A713 VanDerWaalsContact OD2-CB 3.29Å; D693-A713 WeakPolarHBondContact OD2-CB 3.44Å; D693-R718 PolarHBondContact O-NH2 2.83Å; D693-R718 VanDerWaalsContact O-NH2 3.1Å; D693-R722 WeakPolarHBondContact OD1-CG 3.24Å; D693-R722 IonicContact OD1-CZ 3.59Å; D693-R722 IonicContact OD1-NE 2.76Å; D693-R722 PolarHBondContact OD1-NE 2.68Å; D693-R722 IonicContact OD1-NH2 3.49Å; D693-R722 IonicContact OD2-CZ 3.88Å; D693-R722 IonicContact OD2-NE 3.9Å; D693-R722 PolarHBondContact OD2-NE 2.8Å; D693-R722 IonicContact OD2-NH2 2.63Å; D693-R722 PolarHBondContact OD2-NH2 2.82Å
694D91.6Very high83.5Confident104 Ų10442.9 Ų42.956%0.55623%0.229SC*.THydrogen-bonded Turntrans-74.8-32.8-175.7-62.7-58.5000113.2T692 P697 R718T692-D694 PolarHBondContact O-N 3.31Å; D694-P697 WeakPolarHBondContact O-CD 3.23Å; D694-R718 VanDerWaalsContact CG-NH2 3.34Å; D694-R718 VanDerWaalsContact N-NH2 3.16Å; D694-R718 IonicContact OD1-CZ 3.51Å; D694-R718 IonicContact OD1-NH1 3.05Å; D694-R718 PolarHBondContact OD1-NH1 2.91Å; D694-R718 IonicContact OD1-NH2 3.78Å; D694-R718 PolarHBondContact OD1-NH2 3.04Å; D694-R718 IonicContact OD2-NH2 2.78Å
695V92.3Very high84.9Confident2 Ų242.7 Ų42.71%0.01223%0.226CC..THydrogen-bonded Turntrans-85.4-26.4178.9-66.10000113C668 Y674 V691 T692 R698 L699C668-V695 WeakPolarHBondContact O-CG2 3.35Å; Y674-V695 HydrophobicContact CE1-CB 4.14Å; Y674-V695 HydrophobicContact CE1-CG1 4.29Å; V691-V695 HydrophobicContact CB-CG2 3.78Å; V691-V695 HydrophobicContact CG1-CG2 4.29Å; T692-V695 VanDerWaalsContact O-CG2 3.31Å; T692-V695 WeakPolarHBondContact O-CG2 3.5Å; T692-V695 PolarHBondContact O-N 2.98Å; V695-R698 PolarHBondContact O-N 2.9Å; V695-R698 VanDerWaalsContact O-N 3.14Å; V695-L699 WeakPolarHBondContact O-CB 3.28Å; V695-L699 PolarHBondContact O-N 3.4Å; V695-L699 VanDerWaalsContact O-N 3.1Å
696V91.9Very high86.6Confident1 Ų139.5 Ų39.51%0.00621%0.205CC..G310 helixtrans-45.2-48-176.4167.70000114.2V644 V691 R698 L699 N721 L725V644-V696 HydrophobicContact CG1-CG2 4.34Å; V644-V696 HydrophobicContact CG2-CG2 4.49Å; V691-V696 HydrophobicContact CG2-CG2 4.29Å; V696-R698 PolarHBondContact O-N 2.68Å; V696-L699 PolarHBondContact O-N 2.99Å; V696-N721 WeakPolarHBondContact CG1-O 3.47Å; V696-L725 HydrophobicContact CG1-CG 4.43Å
697P86.8Confident88.5Confident82 Ų8237 Ų3753%0.53219%0.188SC..G310 helixtrans-62.1-17.1-174.1-20.130.7000115.4D694D694-P697 WeakPolarHBondContact O-CD 3.23Å
698R85.6Confident89.6Confident167 Ų16736.8 Ų36.863%0.6319%0.186SC*.G310 helixtrans-121.8-4.4-178.4-72.3174.4173.5-168.6-0.4112.9E671 Y674 V695 V696E671-R698 VanDerWaalsContact CD-NH1 3.25Å; E671-R698 WeakPolarHBondContact OE1-CD 3.38Å; E671-R698 IonicContact OE1-CZ 3.64Å; E671-R698 IonicContact OE1-NE 2.88Å; E671-R698 IonicContact OE1-NH1 3.54Å; E671-R698 PolarHBondContact OE1-NH1 3.13Å; E671-R698 IonicContact OE2-NH1 3.39Å; E671-R698 PolarHBondContact OE2-NH1 3.16Å; Y674-R698 WeakPolarHBondContact OH-CB 3.33Å; V695-R698 PolarHBondContact O-N 2.9Å; V695-R698 VanDerWaalsContact O-N 3.14Å; V696-R698 PolarHBondContact O-N 2.68Å
699L88.1Confident90Very high16 Ų1636.7 Ų36.78%0.08419%0.185CC..  trans-70.5128.4-175.9-163.170.4000110.9Y674 V677 L689 V691 V695 V696 C701 L725Y674-L699 HydrophobicContact CD1-CD1 4.19Å; Y674-L699 HydrophobicContact CE1-CD1 4.08Å; V677-L699 HydrophobicContact CG1-CD1 4.42Å; V677-L699 HydrophobicContact CG2-CD1 3.69Å; L689-L699 HydrophobicContact CD2-CD2 4.31Å; V691-L699 HydrophobicContact CG1-CD2 3.85Å; V691-L699 HydrophobicContact CG2-CD2 4.46Å; V695-L699 WeakPolarHBondContact O-CB 3.28Å; V695-L699 PolarHBondContact O-N 3.4Å; V695-L699 VanDerWaalsContact O-N 3.1Å; V696-L699 PolarHBondContact O-N 2.99Å; L699-C701 WeakPolarHBondContact CD2-SG 3.41Å; L699-L725 HydrophobicContact CB-CD2 4.04Å; L699-L725 HydrophobicContact CD2-CD2 3.86Å; L699-L725 HydrophobicContact CG-CD2 4.33Å
700K84.7Confident90.2Very high174 Ų17437 Ų3776%0.75719%0.187SC*.  trans-114.380.3-179.6-67.3-175.9-179.9-178.90110.8G702K700-G702 VanDerWaalsContact C-N 3.3Å; K700-G702 PolarHBondContact O-N 3Å
701C81.9Confident90.1Very high5 Ų538 Ų383%0.03419%0.193CC..  trans-79.4-2.4-179.4-65.30000115V642 W680 L681 L699 I704V642-C701 HydrophobicContact CG2-CB 4.34Å; W680-C701 HydrophobicContact CH2-CB 4.19Å; W680-C701 HydrophobicContact CZ3-CB 3.91Å; L681-C701 WeakPolarHBondContact CD2-O 3.46Å; L699-C701 WeakPolarHBondContact CD2-SG 3.41Å; C701-I704 HydrophobicContact CB-CG2 3.72Å
702G83.6Confident89.9Confident40 Ų4038.8 Ų38.841%0.41220%0.197SC..  trans64.9-145.7-167.400000110.8K700 A728K700-G702 VanDerWaalsContact C-N 3.3Å; K700-G702 PolarHBondContact O-N 3Å; G702-A728 WeakPolarHBondContact O-CB 3.41Å
703K85.9Confident89.7Confident133 Ų13339 Ų3958%0.57820%0.198SC*.SBendtrans-82.3132.5176.9-70.1-171177.2-173.90111.1A728 N729K703-A728 HydrophobicContact CG-CB 4.26Å; K703-N729 WeakPolarHBondContact CA-OD1 3Å; K703-N729 WeakPolarHBondContact CB-OD1 3.35Å
704I87.3Confident89.4Confident0 Ų043.6 Ų43.60%023%0.231CC..  trans-124.2118.6178.555.4153.7000111.9V642 W680 C701 L706 L707 L725 F726 N729V642-I704 HydrophobicContact CB-CD1 4.4Å; V642-I704 HydrophobicContact CG2-CD1 4.23Å; V642-I704 HydrophobicContact CG2-CG2 3.87Å; W680-I704 HydrophobicContact CH2-CG2 4.27Å; C701-I704 HydrophobicContact CB-CG2 3.72Å; I704-L706 VanDerWaalsContact C-N 3.34Å; I704-L707 HydrophobicContact CD1-CB 4.3Å; I704-L707 HydrophobicContact CD1-CD1 4.47Å; I704-L725 HydrophobicContact CD1-CB 3.61Å; I704-L725 HydrophobicContact CG1-CB 4.44Å; I704-F726 HydrophobicContact CD1-CD1 4.26Å; I704-F726 HydrophobicContact CD1-CE1 4.16Å; I704-F726 HydrophobicContact CG1-CD1 4.03Å; I704-F726 HydrophobicContact CG1-CE1 4.16Å; I704-F726 WeakPolarHBondContact O-CE1 3.49Å; I704-N729 PolarHBondContact N-OD1 2.84Å; I704-N729 PolarHBondContact O-ND2 3.38Å
705P86.5Confident89.4Confident33 Ų3343.8 Ų43.821%0.21423%0.23CC..SBendtrans-71.7-23.317625.8-35.3000114.2E639 P640 G739 Q740E639-P705 HydrophobicContact CB-CG 3.7Å; E639-P705 HydrophobicContact CG-CG 3.94Å; P640-P705 VanDerWaalsContact O-CD 3.27Å; P640-P705 WeakPolarHBondContact O-CD 3.28Å; P705-G739 WeakPolarHBondContact O-CA 3.4Å; P705-Q740 PolarHBondContact O-N 2.81Å
706L89.6Confident89.4Confident3 Ų346.1 Ų46.12%0.01624%0.239CC..EExtended strand (participates in β ladder)trans-138.7128.8-174-177.462.1000112.5L629 F636 A641 V642 I704 I708 Q740 V742L629-L706 HydrophobicContact CD2-CD2 4.28Å; L629-L706 HydrophobicContact CG-CD2 4.43Å; F636-L706 HydrophobicContact CD2-CD2 4.5Å; F636-L706 HydrophobicContact CE2-CD2 3.5Å; F636-L706 VanDerWaalsContact CE2-CD2 3.5Å; F636-L706 HydrophobicContact CZ-CD2 4.01Å; A641-L706 HydrophobicContact CB-CB 4.23Å; A641-L706 HydrophobicContact CB-CD2 4.15Å; A641-L706 HydrophobicContact CB-CG 4.4Å; V642-L706 PolarHBondContact N-O 2.71Å; V642-L706 VanDerWaalsContact N-O 3.1Å; I704-L706 VanDerWaalsContact C-N 3.34Å; L706-I708 HydrophobicContact CD1-CG1 4.31Å; L706-I708 HydrophobicContact CD2-CD1 4.04Å; L706-I708 HydrophobicContact CD2-CG1 4.19Å; L706-I708 HydrophobicContact CG-CD1 4.38Å; L706-I708 HydrophobicContact CG-CG1 4Å; L706-Q740 WeakPolarHBondContact CA-O 3.33Å; L706-Q740 HydrophobicContact CD1-CB 4.21Å; L706-V742 HydrophobicContact CD1-CG2 3.91Å
707L94.4Very high89.4Confident0 Ų049.4 Ų49.40%027%0.266CS..EExtended strand (participates in β ladder)trans-118.4124.7170.1-178.661.7000109.3V642 V644 I704 H709 R722 L725 F726 Q740 S741 V742V642-L707 HydrophobicContact CB-CD1 4.18Å; V642-L707 HydrophobicContact CG1-CD1 4.31Å; V642-L707 CarbonylContact O-C 3.59Å; V642-L707 WeakPolarHBondContact O-CA 3.48Å; V644-L707 HydrophobicContact CG2-CD1 3.85Å; I704-L707 HydrophobicContact CD1-CB 4.3Å; I704-L707 HydrophobicContact CD1-CD1 4.47Å; L707-H709 VanDerWaalsContact CD2-NE2 3.32Å; L707-H709 WeakPolarHBondContact CD2-NE2 3.48Å; L707-R722 HydrophobicContact CD2-CB 4.38Å; L707-R722 WeakPolarHBondContact CD2-O 3.21Å; L707-L725 HydrophobicContact CD1-CD1 3.72Å; L707-F726 HydrophobicContact CB-CE1 4.34Å; L707-F726 HydrophobicContact CB-CE2 3.68Å; L707-F726 HydrophobicContact CB-CZ 3.42Å; L707-F726 VanDerWaalsContact CB-CZ 3.42Å; L707-F726 HydrophobicContact CD2-CD2 4.25Å; L707-F726 HydrophobicContact CD2-CE2 3.64Å; L707-F726 HydrophobicContact CD2-CZ 4.27Å; L707-F726 HydrophobicContact CG-CE2 4.32Å; L707-F726 HydrophobicContact CG-CZ 4.5Å; L707-Q740 PolarHBondContact N-O 3.08Å; L707-S741 CarbonylContact O-C 3.56Å; L707-S741 WeakPolarHBondContact O-CA 3.07Å; L707-V742 PolarHBondContact O-N 3.45Å
708I94.9Very high89.7Confident0 Ų048.8 Ų48.80%025%0.253CS..EExtended strand (participates in β ladder)trans-112.5124.8178.4-53.8168000109.2L626 L629 V642 M643 V644 L706 V742 F744L626-I708 HydrophobicContact CD1-CD1 3.93Å; L629-I708 HydrophobicContact CD2-CD1 3.71Å; L629-I708 HydrophobicContact CD2-CG1 3.95Å; V642-I708 PolarHBondContact O-N 3.27Å; M643-I708 CarbonylContact C-O 3.53Å; M643-I708 VanDerWaalsContact CA-O 3.27Å; M643-I708 WeakPolarHBondContact CA-O 3.38Å; M643-I708 HydrophobicContact CB-CB 4.16Å; M643-I708 HydrophobicContact CE-CB 4.12Å; M643-I708 HydrophobicContact CE-CD1 3.66Å; M643-I708 HydrophobicContact CE-CG1 4.5Å; M643-I708 HydrophobicContact CE-CG2 3.94Å; M643-I708 HydrophobicContact CG-CB 4.03Å; M643-I708 HydrophobicContact CG-CG2 4.19Å; V644-I708 PolarHBondContact N-O 3.5Å; L706-I708 HydrophobicContact CD1-CG1 4.31Å; L706-I708 HydrophobicContact CD2-CD1 4.04Å; L706-I708 HydrophobicContact CD2-CG1 4.19Å; L706-I708 HydrophobicContact CG-CD1 4.38Å; L706-I708 HydrophobicContact CG-CG1 4Å; I708-V742 CarbonylContact C-O 3.35Å; I708-V742 WeakPolarHBondContact CA-O 3.31Å; I708-F744 HydrophobicContact CG2-CE2 4.43Å; I708-F744 HydrophobicContact CG2-CZ 4.33Å
709H96.1Very high90.1Very high0 Ų040.9 Ų40.90%022%0.223CC..EExtended strand (participates in β ladder)trans-99.490.3174.7-55-124.6000107L707 S711 F719 R722 F723 S741 V742 V743 F744L707-H709 VanDerWaalsContact CD2-NE2 3.32Å; L707-H709 WeakPolarHBondContact CD2-NE2 3.48Å; H709-S711 VanDerWaalsContact C-N 3.29Å; H709-S711 PolarHBondContact O-N 2.62Å; H709-F719 HydrophobicContact CB-CE2 4.24Å; H709-F719 AromaticContact CE1-CE2 3.88Å; H709-F719 AromaticContact CG-CE2 3.92Å; H709-F719 AromaticContact ND1-CD2 3.68Å; H709-F719 AromaticContact ND1-CE2 3.2Å; H709-F719 WeakPolarHBondContact ND1-CE2 3.19Å; H709-F719 AromaticContact ND1-CZ 3.84Å; H709-R722 VanDerWaalsContact ND1-CD 3.33Å; H709-R722 WeakPolarHBondContact ND1-CD 3.38Å; H709-F723 AromaticContact CE1-CE2 3.41Å; H709-F723 VanDerWaalsContact CE1-CE2 3.41Å; H709-F723 WeakPolarHBondContact CE1-CE2 3.38Å; H709-F723 AromaticContact CE1-CZ 3.73Å; H709-F723 AromaticContact NE2-CE2 3.9Å; H709-F723 AromaticContact NE2-CZ 3.75Å; H709-S741 PolarHBondContact NE2-OG 3.26Å; H709-S741 VanDerWaalsContact NE2-OG 3.13Å; H709-V742 PolarHBondContact N-O 3.25Å; H709-V743 HydrophobicContact CB-CB 4.4Å; H709-V743 HydrophobicContact CB-CG1 4.25Å; H709-V743 HydrophobicContact CB-CG2 4.24Å; H709-F744 PolarHBondContact O-N 2.86Å
710Y94.8Very high90.5Very high8 Ų841.2 Ų41.23%0.03122%0.224CC..SBendtrans-66.8-33.3-173.5-173.6-89.3000112.8E619 K622 I623 M643 V644 E650 L654 F744E619-Y710 VanDerWaalsContact OE2-CE1 3.27Å; E619-Y710 WeakPolarHBondContact OE2-CE1 3.46Å; E619-Y710 VanDerWaalsContact OE2-CZ 3.31Å; E619-Y710 PolarHBondContact OE2-OH 2.86Å; K622-Y710 HydrophobicContact CB-CE2 4.06Å; K622-Y710 HydrophobicContact CD-CD1 4.47Å; K622-Y710 HydrophobicContact CD-CE1 3.85Å; K622-Y710 HydrophobicContact CD-CE2 4.05Å; K622-Y710 WeakPolarHBondContact CE-O 3.48Å; K622-Y710 PolarHBondContact NZ-O 2.87Å; I623-Y710 HydrophobicContact CD1-CE2 4.44Å; M643-Y710 HydrophobicContact SD-CD2 3.96Å; M643-Y710 HydrophobicContact SD-CG 4.31Å; V644-Y710 PolarHBondContact O-N 3.44Å; V644-Y710 VanDerWaalsContact O-N 3.14Å; E650-Y710 HydrophobicContact CG-CD1 4.27Å; E650-Y710 HydrophobicContact CG-CE1 4.4Å; E650-Y710 WeakPolarHBondContact OE1-CD1 3.38Å; L654-Y710 HydrophobicContact CD1-CD2 4.35Å; L654-Y710 HydrophobicContact CD1-CE2 3.72Å; L654-Y710 HydrophobicContact CD2-CD1 4.04Å; L654-Y710 HydrophobicContact CD2-CD2 3.56Å; L654-Y710 HydrophobicContact CD2-CE1 4.23Å; L654-Y710 HydrophobicContact CD2-CE2 3.74Å; L654-Y710 HydrophobicContact CD2-CG 3.72Å; L654-Y710 HydrophobicContact CG-CE2 4.41Å; Y710-F744 AromaticContact CD2-CD2 3.97Å; Y710-F744 HydrophobicContact CD2-CD2 3.97Å; Y710-F744 HydrophobicContact CD2-CE2 4.1Å; Y710-F744 HydrophobicContact CE2-CD2 4.34Å; Y710-F744 HydrophobicContact CE2-CE2 4.38Å
711S92.2Very high90.9Very high19 Ų1935.2 Ų35.213%0.13320%0.2CC..SBendtrans-144.4150.4171.7-730000109.2K622 E650 H709 R722K622-S711 PolarHBondContact NZ-OG 3.33Å; K622-S711 VanDerWaalsContact NZ-OG 3.13Å; E650-S711 VanDerWaalsContact OE1-CB 3.27Å; E650-S711 WeakPolarHBondContact OE1-CB 3.17Å; E650-S711 PolarHBondContact OE1-OG 2.88Å; H709-S711 VanDerWaalsContact C-N 3.29Å; H709-S711 PolarHBondContact O-N 2.62Å; S711-R722 PolarHBondContact O-NH1 2.67Å; S711-R722 PolarHBondContact O-NH2 2.89Å; S711-R722 VanDerWaalsContact O-NH2 3.07Å
712F91.9Very high91.5Very high18 Ų1835 Ų358%0.07920%0.199CC..  trans-59.6158.2176.3-78.5-74.2000112.5F719 V743 A745 D749 N752 L756F712-F719 AromaticContact CD1-CD2 3.79Å; F712-F719 HydrophobicContact CD1-CD2 3.79Å; F712-F719 AromaticContact CD1-CE2 3.8Å; F712-F719 HydrophobicContact CD1-CE2 3.8Å; F712-F719 HydrophobicContact CE1-CD2 4.29Å; F712-F719 AromaticContact CE1-CE2 3.87Å; F712-F719 HydrophobicContact CE1-CE2 3.87Å; F712-F719 HydrophobicContact CE1-CZ 4.24Å; F712-V743 HydrophobicContact CE1-CG1 3.85Å; F712-V743 HydrophobicContact CZ-CG1 3.81Å; F712-A745 HydrophobicContact CE2-CB 3.58Å; F712-A745 HydrophobicContact CZ-CB 3.89Å; F712-D749 HydrophobicContact CD2-CB 3.83Å; F712-D749 VanDerWaalsContact CD2-OD2 3.29Å; F712-D749 WeakPolarHBondContact CD2-OD2 3.38Å; F712-D749 HydrophobicContact CE2-CB 3.7Å; F712-D749 WeakPolarHBondContact CE2-OD2 3.29Å; F712-N752 HydrophobicContact CD1-CB 3.69Å; F712-N752 HydrophobicContact CD2-CB 4.02Å; F712-N752 HydrophobicContact CE1-CB 3.63Å; F712-N752 HydrophobicContact CE2-CB 3.93Å; F712-N752 HydrophobicContact CG-CB 3.91Å; F712-N752 HydrophobicContact CZ-CB 3.74Å; F712-L756 HydrophobicContact CE1-CD1 3.8Å; F712-L756 HydrophobicContact CZ-CD1 3.65Å
713A90.8Very high92.1Very high5 Ų533.2 Ų33.24%0.04118%0.179CC..  trans-80.4153.817000000110.1D693 M715 R718 F719D693-A713 VanDerWaalsContact OD2-CB 3.29Å; D693-A713 WeakPolarHBondContact OD2-CB 3.44Å; A713-M715 PolarHBondContact O-N 3.31Å; A713-M715 VanDerWaalsContact O-N 3.11Å; A713-R718 HydrophobicContact CB-CB 3.84Å; A713-F719 HydrophobicContact CB-CB 3.9Å
714S86.9Confident92.5Very high105 Ų10527.8 Ų27.873%0.73416%0.158SC*.SBendtrans-60-20.7175.955.90000114.3
715M90.9Very high92.8Very high109 Ų10928.1 Ų28.154%0.53716%0.16SC..SBendtrans-138.2140.3177.4-65.8-174.5-73.700110.9A713 A717 R718 F719A713-M715 PolarHBondContact O-N 3.31Å; A713-M715 VanDerWaalsContact O-N 3.11Å; M715-A717 PolarHBondContact O-N 2.85Å; M715-R718 HydrophobicContact CB-CG 4.33Å; M715-R718 HydrophobicContact CE-CG 4.04Å; M715-R718 WeakPolarHBondContact O-CB 3.24Å; M715-R718 PolarHBondContact O-N 3.42Å; M715-F719 PolarHBondContact O-N 2.97Å; M715-F719 VanDerWaalsContact O-N 3.08Å
716W92.6Very high93Very high50 Ų5026.6 Ų26.619%0.18915%0.15CC..Hα-helixtrans-55.2-37.6178.1-175.7-124.3000113.2L601 R718 F719 K720 K755 L756L601-W716 HydrophobicContact CD2-CH2 4.24Å; L601-W716 HydrophobicContact CD2-CZ2 3.96Å; W716-R718 VanDerWaalsContact C-N 3.32Å; W716-R718 PolarHBondContact O-N 2.76Å; W716-F719 HydrophobicContact CE3-CB 4.25Å; W716-F719 AromaticContact CE3-CD1 3.66Å; W716-F719 HydrophobicContact CE3-CD1 3.66Å; W716-F719 HydrophobicContact CE3-CE1 4.37Å; W716-F719 HydrophobicContact CE3-CG 4.18Å; W716-F719 AromaticContact CH2-CD1 3.79Å; W716-F719 HydrophobicContact CH2-CD1 3.79Å; W716-F719 AromaticContact CH2-CE1 3.76Å; W716-F719 HydrophobicContact CH2-CE1 3.76Å; W716-F719 AromaticContact CZ3-CD1 3.24Å; W716-F719 HydrophobicContact CZ3-CD1 3.24Å; W716-F719 AromaticContact CZ3-CE1 3.51Å; W716-F719 HydrophobicContact CZ3-CE1 3.51Å; W716-F719 HydrophobicContact CZ3-CG 4.06Å; W716-F719 HydrophobicContact CZ3-CZ 4.47Å; W716-F719 PolarHBondContact O-N 3.45Å; W716-K720 HydrophobicContact CD2-CG 4.27Å; W716-K720 HydrophobicContact CZ2-CD 4.19Å; W716-K720 HydrophobicContact CZ2-CG 4.17Å; W716-K720 WeakPolarHBondContact O-CG 3.18Å; W716-K720 PolarHBondContact O-N 3.33Å; W716-K755 HydrophobicContact CB-CD 4.07Å; W716-K755 HydrophobicContact CD2-CB 4.1Å; W716-K755 HydrophobicContact CD2-CD 3.87Å; W716-K755 HydrophobicContact CD2-CG 4.46Å; W716-K755 HydrophobicContact CE3-CB 4.04Å; W716-K755 HydrophobicContact CE3-CD 4.05Å; W716-K755 HydrophobicContact CG-CD 3.86Å; W716-K755 HydrophobicContact CH2-CB 3.99Å; W716-K755 HydrophobicContact CZ2-CB 4.02Å; W716-K755 HydrophobicContact CZ3-CB 3.99Å; W716-L756 HydrophobicContact CH2-CD2 4.05Å; W716-L756 HydrophobicContact CH2-CG 4.28Å; W716-L756 HydrophobicContact CZ3-CD2 4.46Å; W716-L756 HydrophobicContact CZ3-CG 4.42Å
717A91.3Very high93.1Very high70 Ų7026.9 Ų26.958%0.57915%0.151SC*.Hα-helixtrans-61.4-37.7175.600000112.8M715 N721M715-A717 PolarHBondContact O-N 2.85Å; A717-N721 WeakPolarHBondContact O-CB 3.3Å; A717-N721 PolarHBondContact O-N 3.25Å
718R93.1Very high92.8Very high70 Ų7027.8 Ų27.826%0.26416%0.159SC..Hα-helixtrans-70.8-43175.9-64.8-174.869.1135.14111.1D693 D694 A713 M715 W716 K720 N721 R722D693-R718 PolarHBondContact O-NH2 2.83Å; D693-R718 VanDerWaalsContact O-NH2 3.1Å; D694-R718 VanDerWaalsContact CG-NH2 3.34Å; D694-R718 VanDerWaalsContact N-NH2 3.16Å; D694-R718 IonicContact OD1-CZ 3.51Å; D694-R718 IonicContact OD1-NH1 3.05Å; D694-R718 PolarHBondContact OD1-NH1 2.91Å; D694-R718 IonicContact OD1-NH2 3.78Å; D694-R718 PolarHBondContact OD1-NH2 3.04Å; D694-R718 IonicContact OD2-NH2 2.78Å; A713-R718 HydrophobicContact CB-CB 3.84Å; M715-R718 HydrophobicContact CB-CG 4.33Å; M715-R718 HydrophobicContact CE-CG 4.04Å; M715-R718 WeakPolarHBondContact O-CB 3.24Å; M715-R718 PolarHBondContact O-N 3.42Å; W716-R718 VanDerWaalsContact C-N 3.32Å; W716-R718 PolarHBondContact O-N 2.76Å; R718-K720 PolarHBondContact O-N 2.92Å; R718-N721 WeakPolarHBondContact O-CB 3.47Å; R718-N721 PolarHBondContact O-N 3.28Å; R718-N721 VanDerWaalsContact O-N 3.09Å; R718-R722 PolarHBondContact O-N 3.38Å
719F95.5Very high92.3Very high1 Ų128.7 Ų28.70%0.00416%0.163CC..Hα-helixtrans-56-48.6174.1176.1-93.3000111.8H709 F712 A713 M715 W716 N721 R722 F723 V743 L756H709-F719 HydrophobicContact CB-CE2 4.24Å; H709-F719 AromaticContact CE1-CE2 3.88Å; H709-F719 AromaticContact CG-CE2 3.92Å; H709-F719 AromaticContact ND1-CD2 3.68Å; H709-F719 AromaticContact ND1-CE2 3.2Å; H709-F719 WeakPolarHBondContact ND1-CE2 3.19Å; H709-F719 AromaticContact ND1-CZ 3.84Å; F712-F719 AromaticContact CD1-CD2 3.79Å; F712-F719 HydrophobicContact CD1-CD2 3.79Å; F712-F719 AromaticContact CD1-CE2 3.8Å; F712-F719 HydrophobicContact CD1-CE2 3.8Å; F712-F719 HydrophobicContact CE1-CD2 4.29Å; F712-F719 AromaticContact CE1-CE2 3.87Å; F712-F719 HydrophobicContact CE1-CE2 3.87Å; F712-F719 HydrophobicContact CE1-CZ 4.24Å; A713-F719 HydrophobicContact CB-CB 3.9Å; M715-F719 PolarHBondContact O-N 2.97Å; M715-F719 VanDerWaalsContact O-N 3.08Å; W716-F719 HydrophobicContact CE3-CB 4.25Å; W716-F719 AromaticContact CE3-CD1 3.66Å; W716-F719 HydrophobicContact CE3-CD1 3.66Å; W716-F719 HydrophobicContact CE3-CE1 4.37Å; W716-F719 HydrophobicContact CE3-CG 4.18Å; W716-F719 AromaticContact CH2-CD1 3.79Å; W716-F719 HydrophobicContact CH2-CD1 3.79Å; W716-F719 AromaticContact CH2-CE1 3.76Å; W716-F719 HydrophobicContact CH2-CE1 3.76Å; W716-F719 AromaticContact CZ3-CD1 3.24Å; W716-F719 HydrophobicContact CZ3-CD1 3.24Å; W716-F719 AromaticContact CZ3-CE1 3.51Å; W716-F719 HydrophobicContact CZ3-CE1 3.51Å; W716-F719 HydrophobicContact CZ3-CG 4.06Å; W716-F719 HydrophobicContact CZ3-CZ 4.47Å; W716-F719 PolarHBondContact O-N 3.45Å; F719-N721 VanDerWaalsContact C-N 3.31Å; F719-N721 PolarHBondContact O-N 2.93Å; F719-R722 VanDerWaalsContact O-CB 3.29Å; F719-R722 WeakPolarHBondContact O-CB 3.45Å; F719-R722 WeakPolarHBondContact O-CG 3.29Å; F719-R722 PolarHBondContact O-N 3.49Å; F719-F723 HydrophobicContact CD1-CE2 4.36Å; F719-F723 AromaticContact CE1-CE2 3.8Å; F719-F723 HydrophobicContact CE1-CE2 3.8Å; F719-F723 HydrophobicContact CE1-CZ 4.44Å; F719-F723 HydrophobicContact CZ-CE2 4.06Å; F719-F723 HydrophobicContact CZ-CZ 4.45Å; F719-V743 HydrophobicContact CE2-CG1 4.23Å; F719-V743 HydrophobicContact CE2-CG2 4.26Å; F719-V743 HydrophobicContact CZ-CG1 4.42Å; F719-V743 HydrophobicContact CZ-CG2 3.92Å; F719-L756 HydrophobicContact CE1-CD2 4.21Å; F719-L756 HydrophobicContact CZ-CD2 4.27Å
720K95Very high91.7Very high22 Ų2228.8 Ų28.810%0.09616%0.164CC..Hα-helixtrans-61.2-39.1175.4-68-166.1-65.91780112.2N417 D599 L601 W716 R718 R722 F723N417-K720 PolarHBondContact ND2-NZ 3.43Å; N417-K720 PolarHBondContact OD1-NZ 3.44Å; D599-K720 WeakPolarHBondContact OD2-CD 2.95Å; D599-K720 WeakPolarHBondContact OD2-CE 3.17Å; D599-K720 IonicContact OD2-NZ 2.8Å; D599-K720 PolarHBondContact OD2-NZ 3.39Å; L601-K720 HydrophobicContact CB-CB 4Å; L601-K720 HydrophobicContact CB-CD 4.12Å; L601-K720 HydrophobicContact CB-CG 3.88Å; L601-K720 HydrophobicContact CD2-CD 3.96Å; L601-K720 HydrophobicContact CD2-CG 3.77Å; L601-K720 HydrophobicContact CG-CG 4.47Å; W716-K720 HydrophobicContact CD2-CG 4.27Å; W716-K720 HydrophobicContact CZ2-CD 4.19Å; W716-K720 HydrophobicContact CZ2-CG 4.17Å; W716-K720 WeakPolarHBondContact O-CG 3.18Å; W716-K720 PolarHBondContact O-N 3.33Å; R718-K720 PolarHBondContact O-N 2.92Å; K720-R722 PolarHBondContact O-N 3.26Å; K720-F723 WeakPolarHBondContact O-CB 2.99Å; K720-F723 WeakPolarHBondContact O-CD2 3.36Å; K720-F723 PolarHBondContact O-N 2.94Å; K720-F723 VanDerWaalsContact O-N 3.14Å
721N93.7Very high90.5Very high49 Ų4934.7 Ų34.726%0.26219%0.19SC..Hα-helixtrans-64-21.9177.7-169.661.8000114V696 A717 R718 F719 F723 S724V696-N721 WeakPolarHBondContact CG1-O 3.47Å; A717-N721 WeakPolarHBondContact O-CB 3.3Å; A717-N721 PolarHBondContact O-N 3.25Å; R718-N721 WeakPolarHBondContact O-CB 3.47Å; R718-N721 PolarHBondContact O-N 3.28Å; R718-N721 VanDerWaalsContact O-N 3.09Å; F719-N721 VanDerWaalsContact C-N 3.31Å; F719-N721 PolarHBondContact O-N 2.93Å; N721-F723 PolarHBondContact O-N 3.37Å; N721-S724 VanDerWaalsContact O-CB 3.26Å; N721-S724 WeakPolarHBondContact O-CB 3.41Å; N721-S724 PolarHBondContact O-N 2.92Å; N721-S724 PolarHBondContact O-OG 2.66Å
722R95.6Very high88.7Confident0 Ų035.9 Ų35.90%020%0.198CC..G310 helixtrans-56.6-31.6172-61.9177.5177.9-1700.7112.8V644 D693 L707 H709 S711 R718 F719 K720 S724 L725V644-R722 HydrophobicContact CB-CG 4.41Å; V644-R722 HydrophobicContact CG1-CG 4.11Å; V644-R722 VanDerWaalsContact CG1-NE 3.34Å; V644-R722 HydrophobicContact CG2-CB 4.46Å; V644-R722 HydrophobicContact CG2-CG 4.23Å; V644-R722 PolarHBondContact O-NH1 3.08Å; D693-R722 WeakPolarHBondContact OD1-CG 3.24Å; D693-R722 IonicContact OD1-CZ 3.59Å; D693-R722 IonicContact OD1-NE 2.76Å; D693-R722 PolarHBondContact OD1-NE 2.68Å; D693-R722 IonicContact OD1-NH2 3.49Å; D693-R722 IonicContact OD2-CZ 3.88Å; D693-R722 IonicContact OD2-NE 3.9Å; D693-R722 PolarHBondContact OD2-NE 2.8Å; D693-R722 IonicContact OD2-NH2 2.63Å; D693-R722 PolarHBondContact OD2-NH2 2.82Å; L707-R722 HydrophobicContact CD2-CB 4.38Å; L707-R722 WeakPolarHBondContact CD2-O 3.21Å; H709-R722 VanDerWaalsContact ND1-CD 3.33Å; H709-R722 WeakPolarHBondContact ND1-CD 3.38Å; S711-R722 PolarHBondContact O-NH1 2.67Å; S711-R722 PolarHBondContact O-NH2 2.89Å; S711-R722 VanDerWaalsContact O-NH2 3.07Å; R718-R722 PolarHBondContact O-N 3.38Å; F719-R722 VanDerWaalsContact O-CB 3.29Å; F719-R722 WeakPolarHBondContact O-CB 3.45Å; F719-R722 WeakPolarHBondContact O-CG 3.29Å; F719-R722 PolarHBondContact O-N 3.49Å; K720-R722 PolarHBondContact O-N 3.26Å; R722-S724 PolarHBondContact O-N 2.88Å; R722-L725 VanDerWaalsContact O-CG 3.3Å; R722-L725 WeakPolarHBondContact O-CG 3.42Å; R722-L725 PolarHBondContact O-N 3.27Å
723F95.2Very high86.9Confident2 Ų236.4 Ų36.41%0.00920%0.203CC..G310 helixtrans-69.5-12.1178-69.2-96.8000113.5A600 L601 S604 L611 H709 F719 K720 N721 L725 F726 S741A600-F723 HydrophobicContact CB-CB 4Å; A600-F723 WeakPolarHBondContact O-CB 3.28Å; L601-F723 HydrophobicContact CB-CD2 4.16Å; L601-F723 HydrophobicContact CB-CG 4.34Å; L601-F723 HydrophobicContact CD1-CD1 3.93Å; L601-F723 HydrophobicContact CD1-CD2 3.97Å; L601-F723 HydrophobicContact CD1-CE1 3.71Å; L601-F723 HydrophobicContact CD1-CE2 3.76Å; L601-F723 HydrophobicContact CD1-CG 4.07Å; L601-F723 HydrophobicContact CD1-CZ 3.64Å; S604-F723 WeakPolarHBondContact OG-CB 3.28Å; L611-F723 HydrophobicContact CD1-CE1 4.4Å; L611-F723 HydrophobicContact CD1-CZ 4.09Å; H709-F723 AromaticContact CE1-CE2 3.41Å; H709-F723 VanDerWaalsContact CE1-CE2 3.41Å; H709-F723 WeakPolarHBondContact CE1-CE2 3.38Å; H709-F723 AromaticContact CE1-CZ 3.73Å; H709-F723 AromaticContact NE2-CE2 3.9Å; H709-F723 AromaticContact NE2-CZ 3.75Å; F719-F723 HydrophobicContact CD1-CE2 4.36Å; F719-F723 AromaticContact CE1-CE2 3.8Å; F719-F723 HydrophobicContact CE1-CE2 3.8Å; F719-F723 HydrophobicContact CE1-CZ 4.44Å; F719-F723 HydrophobicContact CZ-CE2 4.06Å; F719-F723 HydrophobicContact CZ-CZ 4.45Å; K720-F723 WeakPolarHBondContact O-CB 2.99Å; K720-F723 WeakPolarHBondContact O-CD2 3.36Å; K720-F723 PolarHBondContact O-N 2.94Å; K720-F723 VanDerWaalsContact O-N 3.14Å; N721-F723 PolarHBondContact O-N 3.37Å; F723-L725 PolarHBondContact O-N 3.13Å; F723-L725 VanDerWaalsContact O-N 3.16Å; F723-F726 HydrophobicContact CD1-CD2 4.11Å; F723-F726 HydrophobicContact CD1-CE2 4.12Å; F723-F726 WeakPolarHBondContact O-CB 3.49Å; F723-F726 PolarHBondContact O-N 3.15Å; F723-S741 WeakPolarHBondContact CE1-OG 3.38Å; F723-S741 WeakPolarHBondContact CZ-OG 3.47Å
724S94Very high85.2Confident19 Ų1939.5 Ų39.513%0.13322%0.222CC..G310 helixtrans-61.9-22.5174.5640000112.7A600 N721 R722 F726 Y727A600-S724 VanDerWaalsContact CB-N 3.33Å; N721-S724 VanDerWaalsContact O-CB 3.26Å; N721-S724 WeakPolarHBondContact O-CB 3.41Å; N721-S724 PolarHBondContact O-N 2.92Å; N721-S724 PolarHBondContact O-OG 2.66Å; R722-S724 PolarHBondContact O-N 2.88Å; S724-F726 PolarHBondContact O-N 3.4Å; S724-Y727 VanDerWaalsContact O-CB 3.26Å; S724-Y727 WeakPolarHBondContact O-CB 3.44Å; S724-Y727 PolarHBondContact O-N 3.4Å
725L93.2Very high83.6Confident8 Ų840.5 Ų40.54%0.04222%0.223CC..G310 helixtrans-60.2-26.3172.9-59.8174.8000112.5V642 V644 V696 L699 I704 L707 R722 F723 Y727V642-L725 HydrophobicContact CB-CD1 4.44Å; V642-L725 HydrophobicContact CG1-CD1 3.87Å; V644-L725 HydrophobicContact CG2-CD1 4.43Å; V696-L725 HydrophobicContact CG1-CG 4.43Å; L699-L725 HydrophobicContact CB-CD2 4.04Å; L699-L725 HydrophobicContact CD2-CD2 3.86Å; L699-L725 HydrophobicContact CG-CD2 4.33Å; I704-L725 HydrophobicContact CD1-CB 3.61Å; I704-L725 HydrophobicContact CG1-CB 4.44Å; L707-L725 HydrophobicContact CD1-CD1 3.72Å; R722-L725 VanDerWaalsContact O-CG 3.3Å; R722-L725 WeakPolarHBondContact O-CG 3.42Å; R722-L725 PolarHBondContact O-N 3.27Å; F723-L725 PolarHBondContact O-N 3.13Å; F723-L725 VanDerWaalsContact O-N 3.16Å; L725-Y727 VanDerWaalsContact C-N 3.33Å; L725-Y727 PolarHBondContact O-N 3.07Å
726F92.5Very high82.2Confident0 Ų044.9 Ų44.90%023%0.234CC..G310 helixtrans-76.5-12.5174.5-71.1-62.8000114.2V609 I704 L707 F723 S724 A728 N729 L730V609-F726 HydrophobicContact CG1-CD2 4.08Å; V609-F726 HydrophobicContact CG1-CE1 4.46Å; V609-F726 HydrophobicContact CG1-CE2 3.71Å; V609-F726 HydrophobicContact CG1-CZ 3.92Å; V609-F726 HydrophobicContact CG2-CB 4.34Å; V609-F726 HydrophobicContact CG2-CD1 4.4Å; V609-F726 HydrophobicContact CG2-CD2 4.14Å; V609-F726 HydrophobicContact CG2-CG 4.05Å; I704-F726 HydrophobicContact CD1-CD1 4.26Å; I704-F726 HydrophobicContact CD1-CE1 4.16Å; I704-F726 HydrophobicContact CG1-CD1 4.03Å; I704-F726 HydrophobicContact CG1-CE1 4.16Å; I704-F726 WeakPolarHBondContact O-CE1 3.49Å; L707-F726 HydrophobicContact CB-CE1 4.34Å; L707-F726 HydrophobicContact CB-CE2 3.68Å; L707-F726 HydrophobicContact CB-CZ 3.42Å; L707-F726 VanDerWaalsContact CB-CZ 3.42Å; L707-F726 HydrophobicContact CD2-CD2 4.25Å; L707-F726 HydrophobicContact CD2-CE2 3.64Å; L707-F726 HydrophobicContact CD2-CZ 4.27Å; L707-F726 HydrophobicContact CG-CE2 4.32Å; L707-F726 HydrophobicContact CG-CZ 4.5Å; F723-F726 HydrophobicContact CD1-CD2 4.11Å; F723-F726 HydrophobicContact CD1-CE2 4.12Å; F723-F726 WeakPolarHBondContact O-CB 3.49Å; F723-F726 PolarHBondContact O-N 3.15Å; S724-F726 PolarHBondContact O-N 3.4Å; F726-A728 PolarHBondContact O-N 3.35Å; F726-N729 WeakPolarHBondContact O-CA 3.37Å; F726-N729 VanDerWaalsContact O-CB 3.26Å; F726-N729 WeakPolarHBondContact O-CB 3.45Å; F726-N729 PolarHBondContact O-N 3.19Å; F726-L730 WeakPolarHBondContact O-CG 3.4Å; F726-L730 PolarHBondContact O-N 3.06Å
727Y91.2Very high80.9Confident10 Ų1046 Ų464%0.03925%0.248CC..G310 helixtrans-53.7-29.4-172.3-73.9-5.7000114.4N353 G356 L358 A600 A603 S724 L725 N729 L730N353-Y727 HydrophobicContact CB-CD2 3.96Å; N353-Y727 HydrophobicContact CB-CG 4.33Å; G356-Y727 WeakPolarHBondContact O-CE2 3.43Å; G356-Y727 PolarHBondContact O-OH 3.36Å; L358-Y727 HydrophobicContact CB-CD1 3.96Å; L358-Y727 HydrophobicContact CB-CD2 4.47Å; L358-Y727 HydrophobicContact CB-CE1 3.76Å; L358-Y727 HydrophobicContact CB-CE2 4.3Å; L358-Y727 HydrophobicContact CB-CG 4.3Å; L358-Y727 HydrophobicContact CD1-CD1 4.06Å; L358-Y727 HydrophobicContact CD1-CG 4.02Å; L358-Y727 HydrophobicContact CG-CD1 4.45Å; A600-Y727 HydrophobicContact CB-CE1 3.63Å; A600-Y727 WeakPolarHBondContact CB-OH 3.48Å; A603-Y727 HydrophobicContact CB-CE1 4Å; S724-Y727 VanDerWaalsContact O-CB 3.26Å; S724-Y727 WeakPolarHBondContact O-CB 3.44Å; S724-Y727 PolarHBondContact O-N 3.4Å; L725-Y727 VanDerWaalsContact C-N 3.33Å; L725-Y727 PolarHBondContact O-N 3.07Å; Y727-N729 VanDerWaalsContact C-N 3.31Å; Y727-N729 PolarHBondContact O-N 2.94Å; Y727-L730 HydrophobicContact CD1-CD1 4.3Å; Y727-L730 PolarHBondContact O-N 3.37Å
728A86.9Confident80.4Confident19 Ų1943.8 Ų43.816%0.15723%0.227CC..G310 helixtrans-72.7-20.517600000114.3G702 K703 F726 K731G702-A728 WeakPolarHBondContact O-CB 3.41Å; K703-A728 HydrophobicContact CG-CB 4.26Å; F726-A728 PolarHBondContact O-N 3.35Å; A728-K731 WeakPolarHBondContact O-CE 3.33Å
729N86.1Confident80.1Confident18 Ų1840.9 Ų40.910%0.09622%0.219CC..THydrogen-bonded Turntrans-78.4-32.6174.2-55.719.8000110.7K703 I704 F726 Y727 K731 V738K703-N729 WeakPolarHBondContact CA-OD1 3Å; K703-N729 WeakPolarHBondContact CB-OD1 3.35Å; I704-N729 PolarHBondContact N-OD1 2.84Å; I704-N729 PolarHBondContact O-ND2 3.38Å; F726-N729 WeakPolarHBondContact O-CA 3.37Å; F726-N729 VanDerWaalsContact O-CB 3.26Å; F726-N729 WeakPolarHBondContact O-CB 3.45Å; F726-N729 PolarHBondContact O-N 3.19Å; Y727-N729 VanDerWaalsContact C-N 3.31Å; Y727-N729 PolarHBondContact O-N 2.94Å; N729-K731 PolarHBondContact O-N 3.11Å; N729-V738 HydrophobicContact CB-CB 4.22Å; N729-V738 HydrophobicContact CB-CG2 4.43Å; N729-V738 PolarHBondContact ND2-O 2.82Å
730L82.8Confident80Confident3 Ų342.3 Ų42.32%0.01623%0.225CC..  trans-78.647.1-168.8-50.4-170.7000113.7T351 L358 A603 V609 F726 Y727 V738T351-L730 PolarHBondContact OG1-O 2.94Å; L358-L730 HydrophobicContact CD1-CB 4.12Å; L358-L730 HydrophobicContact CD2-CB 3.96Å; L358-L730 HydrophobicContact CD2-CD1 3.65Å; L358-L730 HydrophobicContact CD2-CG 4.43Å; A603-L730 HydrophobicContact CB-CD1 4.3Å; A603-L730 WeakPolarHBondContact O-CD1 3.39Å; V609-L730 HydrophobicContact CG2-CD2 4.39Å; F726-L730 WeakPolarHBondContact O-CG 3.4Å; F726-L730 PolarHBondContact O-N 3.06Å; Y727-L730 HydrophobicContact CD1-CD1 4.3Å; Y727-L730 PolarHBondContact O-N 3.37Å; L730-V738 HydrophobicContact CD2-CB 4.48Å; L730-V738 HydrophobicContact CD2-CG2 3.52Å
731K68.2Low79.9Confident131 Ų13141.3 Ų41.357%0.5722%0.221SC*.SBendtrans-83.5-15.4-176.2-64.6-163.8177.4-167.10114.8T351 A728 N729T351-K731 WeakPolarHBondContact OG1-CA 3.3Å; A728-K731 WeakPolarHBondContact O-CE 3.33Å; N729-K731 PolarHBondContact O-N 3.11Å
732S55.9Low80Confident45 Ų4539 Ų3932%0.31521%0.208SC..SBendtrans-159.8148173.5-175.20000108T734S732-T734 PolarHBondContact O-N 3.38Å
733P53.2Low80Confident29 Ų2939 Ų3919%0.18821%0.208CC..  trans-60.5123.1159.927.2-33.2000108.1F345F345-P733 HydrophobicContact CB-CG 4.04Å; F345-P733 HydrophobicContact CD2-CG 4Å; F345-P733 HydrophobicContact CG-CG 4.32Å
734T55.1Low80Confident69 Ų6938.9 Ų38.942%0.42321%0.208SC..  trans-125.1146.5178.952.60000110.4S732 R736 V738S732-T734 PolarHBondContact O-N 3.38Å; T734-R736 PolarHBondContact O-N 3.12Å; T734-R736 PolarHBondContact OG1-O 2.88Å; T734-R736 VanDerWaalsContact OG1-O 3.07Å; T734-V738 WeakPolarHBondContact OG1-CG1 3.49Å
735T53.8Low80Confident126 Ų12638 Ų3877%0.77320%0.202SC*.SBendtrans-72.2-8.4175.9520000113.8
736R60.7Low80Confident201 Ų20140.3 Ų40.376%0.75821%0.211SC*.SBendtrans-102.6145.7175.3-65.2-174.5180-176.40.1110.5T734 V738T734-R736 PolarHBondContact O-N 3.12Å; T734-R736 PolarHBondContact OG1-O 2.88Å; T734-R736 VanDerWaalsContact OG1-O 3.07Å; R736-V738 PolarHBondContact O-N 3.11Å
737P65.8Low79.9Confident73 Ų7342.1 Ų42.147%0.47422%0.224SC..  trans-55.4127.2174.2-24.934.1000111.7G608 Q610 G739G608-P737 WeakPolarHBondContact O-CA 3.23Å; Q610-P737 HydrophobicContact CG-CB 4.07Å; Q610-P737 HydrophobicContact CG-CG 4.21Å; Q610-P737 VanDerWaalsContact NE2-CG 3.35Å; P737-G739 VanDerWaalsContact C-N 3.34Å
738V81.1Confident79.9Confident25 Ų2546 Ų4615%0.15225%0.248CC..  trans-86.9-7.2179.8-59.30000113.2G607 G608 V609 N729 L730 T734 R736G607-V738 WeakPolarHBondContact O-CG1 3.5Å; G607-V738 WeakPolarHBondContact O-CG2 3.39Å; G608-V738 PolarHBondContact O-N 3.48Å; V609-V738 HydrophobicContact CG2-CG2 3.69Å; N729-V738 HydrophobicContact CB-CB 4.22Å; N729-V738 HydrophobicContact CB-CG2 4.43Å; N729-V738 PolarHBondContact ND2-O 2.82Å; L730-V738 HydrophobicContact CD2-CB 4.48Å; L730-V738 HydrophobicContact CD2-CG2 3.52Å; T734-V738 WeakPolarHBondContact OG1-CG1 3.49Å; R736-V738 PolarHBondContact O-N 3.11Å
739G87.8Confident80.1Confident8 Ų847.1 Ų47.18%0.08225%0.252CS..  trans171.9169.5178.300000111.6Q610 P705 P737Q610-G739 PolarHBondContact N-O 2.87Å; P705-G739 WeakPolarHBondContact O-CA 3.4Å; P737-G739 VanDerWaalsContact C-N 3.34Å
740Q91.6Very high80.3Confident32 Ų3247.2 Ų47.215%0.1525%0.253CS..EExtended strand (participates in β ladder)trans-122134.2174.1-171.2-176.915.800110.5Q610 P705 L706 L707 V742Q610-Q740 HydrophobicContact CB-CG 4.3Å; Q610-Q740 CarbonylContact O-C 3.57Å; Q610-Q740 WeakPolarHBondContact O-CA 3.37Å; P705-Q740 PolarHBondContact O-N 2.81Å; L706-Q740 WeakPolarHBondContact CA-O 3.33Å; L706-Q740 HydrophobicContact CD1-CB 4.21Å; L707-Q740 PolarHBondContact N-O 3.08Å; Q740-V742 HydrophobicContact CG-CG2 4.03Å
741S94.9Very high80.8Confident0 Ų051.1 Ų51.10%027%0.271CS..EExtended strand (participates in β ladder)trans-104.8124.5167.4168.70000108.8Q610 L611 D612 L707 H709 F723Q610-S741 PolarHBondContact O-N 3.43Å; L611-S741 WeakPolarHBondContact CD1-OG 3.12Å; D612-S741 PolarHBondContact N-O 3.41Å; L707-S741 CarbonylContact O-C 3.56Å; L707-S741 WeakPolarHBondContact O-CA 3.07Å; H709-S741 PolarHBondContact NE2-OG 3.26Å; H709-S741 VanDerWaalsContact NE2-OG 3.13Å; F723-S741 WeakPolarHBondContact CE1-OG 3.38Å; F723-S741 WeakPolarHBondContact CZ-OG 3.47Å
742V95Very high82Confident0 Ų046.1 Ų46.10%025%0.25CS..EExtended strand (participates in β ladder)trans-115.4121.9175.4-176.40000109D612 R614 L629 L706 L707 I708 H709 Q740 F744D612-V742 HydrophobicContact CB-CG2 4.25Å; D612-V742 WeakPolarHBondContact O-CA 3.47Å; R614-V742 HydrophobicContact CG-CG1 4.21Å; L629-V742 HydrophobicContact CD1-CG2 4.15Å; L629-V742 HydrophobicContact CD2-CB 4.29Å; L629-V742 HydrophobicContact CD2-CG1 4.28Å; L629-V742 HydrophobicContact CD2-CG2 4.09Å; L706-V742 HydrophobicContact CD1-CG2 3.91Å; L707-V742 PolarHBondContact O-N 3.45Å; I708-V742 CarbonylContact C-O 3.35Å; I708-V742 WeakPolarHBondContact CA-O 3.31Å; H709-V742 PolarHBondContact N-O 3.25Å; Q740-V742 HydrophobicContact CG-CG2 4.03Å; V742-F744 HydrophobicContact CG1-CD1 4.19Å; V742-F744 HydrophobicContact CG1-CE1 3.82Å
743V95.8Very high83.9Confident0 Ų044 Ų440%024%0.235CC..EExtended strand (participates in β ladder)trans-106.7125.3-179.6-1750000110L611 D612 V613 R614 H709 F712 F719 L756L611-V743 HydrophobicContact CD1-CG2 3.87Å; D612-V743 PolarHBondContact O-N 3.1Å; V613-V743 WeakPolarHBondContact CA-O 3.47Å; V613-V743 HydrophobicContact CG1-CB 4.43Å; V613-V743 HydrophobicContact CG2-CB 4.27Å; R614-V743 PolarHBondContact N-O 3.15Å; H709-V743 HydrophobicContact CB-CB 4.4Å; H709-V743 HydrophobicContact CB-CG1 4.25Å; H709-V743 HydrophobicContact CB-CG2 4.24Å; F712-V743 HydrophobicContact CE1-CG1 3.85Å; F712-V743 HydrophobicContact CZ-CG1 3.81Å; F719-V743 HydrophobicContact CE2-CG1 4.23Å; F719-V743 HydrophobicContact CE2-CG2 4.26Å; F719-V743 HydrophobicContact CZ-CG1 4.42Å; F719-V743 HydrophobicContact CZ-CG2 3.92Å; V743-L756 HydrophobicContact CG1-CD1 4.42Å
744F95.4Very high85.9Confident1 Ų143.9 Ų43.90%0.00423%0.231CC..EExtended strand (participates in β ladder)trans-92.3116.3167.9-63.9-8.9000108.5R614 K622 H625 L626 I708 H709 Y710 V742R614-F744 HydrophobicContact CB-CD1 4.17Å; R614-F744 WeakPolarHBondContact O-CA 3.21Å; K622-F744 HydrophobicContact CB-CD2 4.12Å; K622-F744 HydrophobicContact CB-CE2 4.33Å; K622-F744 HydrophobicContact CD-CD2 4.17Å; K622-F744 HydrophobicContact CG-CD2 4.02Å; H625-F744 HydrophobicContact CB-CE1 4.42Å; H625-F744 HydrophobicContact CB-CZ 4.19Å; L626-F744 HydrophobicContact CB-CE2 4.3Å; L626-F744 HydrophobicContact CB-CZ 4.33Å; I708-F744 HydrophobicContact CG2-CE2 4.43Å; I708-F744 HydrophobicContact CG2-CZ 4.33Å; H709-F744 PolarHBondContact O-N 2.86Å; Y710-F744 AromaticContact CD2-CD2 3.97Å; Y710-F744 HydrophobicContact CD2-CD2 3.97Å; Y710-F744 HydrophobicContact CD2-CE2 4.1Å; Y710-F744 HydrophobicContact CE2-CD2 4.34Å; Y710-F744 HydrophobicContact CE2-CE2 4.38Å; V742-F744 HydrophobicContact CG1-CD1 4.19Å; V742-F744 HydrophobicContact CG1-CE1 3.82Å
745A94.2Very high87.7Confident0 Ų042.9 Ų42.90%022%0.221CC..EExtended strand (participates in β ladder)trans-117.5134.8-177.800000110.5V613 R614 V615 V616 F712 I753V613-A745 HydrophobicContact CG1-CB 4.13Å; R614-A745 PolarHBondContact O-N 3.26Å; V615-A745 CarbonylContact C-O 3.55Å; V615-A745 VanDerWaalsContact CA-O 3.25Å; V615-A745 WeakPolarHBondContact CA-O 3.32Å; V616-A745 PolarHBondContact N-O 3.02Å; F712-A745 HydrophobicContact CE2-CB 3.58Å; F712-A745 HydrophobicContact CZ-CB 3.89Å; A745-I753 HydrophobicContact CB-CD1 4.5Å; A745-I753 HydrophobicContact CB-CG1 4.34Å
746K92.1Very high89.7Confident56 Ų5636.9 Ų36.924%0.24318%0.184CC..  trans-85148.4171.6-59.3-166.7175.7-168.70110.3V616 E619 T748 D749 I753V616-K746 WeakPolarHBondContact O-CA 3.48Å; E619-K746 VanDerWaalsContact OE1-CE 3.24Å; E619-K746 WeakPolarHBondContact OE1-CE 3.21Å; E619-K746 IonicContact OE1-NZ 3.69Å; E619-K746 PolarHBondContact OE1-NZ 3.17Å; K746-T748 WeakPolarHBondContact CB-OG1 3.18Å; K746-T748 PolarHBondContact O-N 2.98Å; K746-D749 WeakPolarHBondContact CB-OD2 3.05Å; K746-D749 PolarHBondContact N-OD2 3.3Å; K746-D749 WeakPolarHBondContact O-CB 3.36Å; K746-D749 PolarHBondContact O-N 3.39Å; K746-I753 WeakPolarHBondContact O-CD1 3.37Å
747P91.1Very high91.3Very high39 Ų3927.3 Ų27.325%0.25315%0.148SC..THydrogen-bonded Turntrans-58.8-10.4171.9-23.332.9000114.7V615 R778V615-P747 HydrophobicContact CG1-CG 3.75Å; P747-R778 PolarHBondContact O-NE 3.13Å; P747-R778 PolarHBondContact O-NH2 2.89Å; P747-R778 VanDerWaalsContact O-NH2 3.15Å
748T90.4Very high92.6Very high91 Ų9125.3 Ų25.356%0.55813%0.134SC*.THydrogen-bonded Turntrans-87.4-14.2172.850.40000113.7K746 V750K746-T748 WeakPolarHBondContact CB-OG1 3.18Å; K746-T748 PolarHBondContact O-N 2.98Å; T748-V750 PolarHBondContact O-N 3.34Å
749D90.9Very high93.2Very high43 Ų4324.8 Ų24.823%0.2313%0.129CC..  trans-8138.9-174.3-62.5-32.3000112.7F712 K746 E751 N752 I753F712-D749 HydrophobicContact CD2-CB 3.83Å; F712-D749 VanDerWaalsContact CD2-OD2 3.29Å; F712-D749 WeakPolarHBondContact CD2-OD2 3.38Å; F712-D749 HydrophobicContact CE2-CB 3.7Å; F712-D749 WeakPolarHBondContact CE2-OD2 3.29Å; K746-D749 WeakPolarHBondContact CB-OD2 3.05Å; K746-D749 PolarHBondContact N-OD2 3.3Å; K746-D749 WeakPolarHBondContact O-CB 3.36Å; K746-D749 PolarHBondContact O-N 3.39Å; D749-E751 VanDerWaalsContact C-N 3.26Å; D749-E751 PolarHBondContact O-N 3.11Å; D749-E751 VanDerWaalsContact O-N 3.1Å; D749-N752 PolarHBondContact O-N 3Å; D749-I753 HydrophobicContact CB-CD1 4.42Å; D749-I753 HydrophobicContact CB-CG1 4.41Å; D749-I753 WeakPolarHBondContact O-CG1 3.32Å; D749-I753 PolarHBondContact O-N 2.78Å
750V91.4Very high93.4Very high19 Ų1925.3 Ų25.312%0.11513%0.129CC..Hα-helixtrans-47.8-45.8-169.2-172.60000112.3T748 N752 I753 W754 L775 R778T748-V750 PolarHBondContact O-N 3.34Å; V750-N752 PolarHBondContact O-N 3.22Å; V750-I753 PolarHBondContact O-N 2.85Å; V750-W754 WeakPolarHBondContact O-CB 3.43Å; V750-W754 PolarHBondContact O-N 2.7Å; V750-L775 HydrophobicContact CG1-CD2 3.77Å; V750-L775 WeakPolarHBondContact O-CD2 3.13Å; V750-R778 HydrophobicContact CG1-CB 4.38Å; V750-R778 HydrophobicContact CG2-CB 4.09Å; V750-R778 HydrophobicContact CG2-CG 3.7Å
751E92.3Very high93.2Very high85 Ų8524.4 Ų24.440%0.39713%0.125SC..Hα-helixtrans-61.4-38.3-179.9179.560.5-162.100113.5D749 K755 H806D749-E751 VanDerWaalsContact C-N 3.26Å; D749-E751 PolarHBondContact O-N 3.11Å; D749-E751 VanDerWaalsContact O-N 3.1Å; E751-K755 WeakPolarHBondContact O-CD 3.47Å; E751-K755 WeakPolarHBondContact O-CG 3.21Å; E751-K755 PolarHBondContact O-N 2.7Å; E751-K755 WeakPolarHBondContact OE1-CE 3.49Å; E751-K755 IonicContact OE1-NZ 2.95Å; E751-K755 PolarHBondContact OE1-NZ 2.92Å; E751-H806 VanDerWaalsContact CD-NE2 3.34Å; E751-H806 IonicContact OE1-CE1 3.72Å; E751-H806 IonicContact OE1-NE2 2.69Å; E751-H806 PolarHBondContact OE1-NE2 3.04Å; E751-H806 IonicContact OE2-CD2 2.73Å; E751-H806 IonicContact OE2-CE1 3.26Å; E751-H806 PolarHBondContact OE2-CE1 2.77Å; E751-H806 IonicContact OE2-NE2 3.96Å; E751-H806 PolarHBondContact OE2-NE2 3.47Å
752N93.6Very high92.8Very high26 Ų2628.9 Ų28.914%0.13914%0.144CC..Hα-helixtrans-85.8-34.4179.9-69.4-43.3000111.6F712 D749 V750 W754 K755 L756F712-N752 HydrophobicContact CD1-CB 3.69Å; F712-N752 HydrophobicContact CD2-CB 4.02Å; F712-N752 HydrophobicContact CE1-CB 3.63Å; F712-N752 HydrophobicContact CE2-CB 3.93Å; F712-N752 HydrophobicContact CG-CB 3.91Å; F712-N752 HydrophobicContact CZ-CB 3.74Å; D749-N752 PolarHBondContact O-N 3Å; V750-N752 PolarHBondContact O-N 3.22Å; N752-W754 VanDerWaalsContact C-N 3.3Å; N752-W754 PolarHBondContact O-N 3.28Å; N752-K755 PolarHBondContact O-N 2.88Å; N752-L756 WeakPolarHBondContact O-CG 3.32Å; N752-L756 PolarHBondContact O-N 3.18Å
753I95.3Very high92.5Very high0 Ų029.6 Ų29.60%015%0.147CC..Hα-helixtrans-60.4-41.9170.8-67.9174.2000110.2A745 K746 D749 V750 K755 L756 C757 L771 I774 L775A745-I753 HydrophobicContact CB-CD1 4.5Å; A745-I753 HydrophobicContact CB-CG1 4.34Å; K746-I753 WeakPolarHBondContact O-CD1 3.37Å; D749-I753 HydrophobicContact CB-CD1 4.42Å; D749-I753 HydrophobicContact CB-CG1 4.41Å; D749-I753 WeakPolarHBondContact O-CG1 3.32Å; D749-I753 PolarHBondContact O-N 2.78Å; V750-I753 PolarHBondContact O-N 2.85Å; I753-K755 PolarHBondContact O-N 3.44Å; I753-L756 PolarHBondContact O-N 2.87Å; I753-C757 PolarHBondContact O-N 3.06Å; I753-C757 PolarHBondContact O-SG 2.71Å; I753-L771 HydrophobicContact CG2-CB 3.88Å; I753-L771 HydrophobicContact CG2-CD2 4.29Å; I753-L771 HydrophobicContact CG2-CG 4.48Å; I753-I774 HydrophobicContact CD1-CD1 4.44Å; I753-I774 HydrophobicContact CD1-CG2 4.13Å; I753-L775 HydrophobicContact CB-CD2 4.25Å; I753-L775 HydrophobicContact CG2-CD1 4.38Å; I753-L775 HydrophobicContact CG2-CD2 3.92Å; I753-L775 HydrophobicContact CG2-CG 3.99Å
754W95.1Very high91.9Very high27 Ų2734.3 Ų34.310%0.10217%0.168CC..Hα-helixtrans-60.9-46.3176.3-167.695.9000111.6V750 N752 L756 C757 D758 L775 L804 H806 L960V750-W754 WeakPolarHBondContact O-CB 3.43Å; V750-W754 PolarHBondContact O-N 2.7Å; N752-W754 VanDerWaalsContact C-N 3.3Å; N752-W754 PolarHBondContact O-N 3.28Å; W754-L756 VanDerWaalsContact C-N 3.34Å; W754-L756 PolarHBondContact O-N 2.87Å; W754-C757 PolarHBondContact O-N 3.29Å; W754-D758 HydrophobicContact CE3-CB 4.13Å; W754-D758 HydrophobicContact CH2-CB 4.17Å; W754-D758 HydrophobicContact CZ3-CB 3.81Å; W754-D758 WeakPolarHBondContact O-CB 3.41Å; W754-D758 PolarHBondContact O-N 3.38Å; W754-L775 HydrophobicContact CB-CD1 4.29Å; W754-L775 HydrophobicContact CB-CD2 3.92Å; W754-L775 HydrophobicContact CG-CD1 4.42Å; W754-L804 PolarHBondContact NE1-O 2.91Å; W754-H806 HydrophobicContact CD2-CB 4.08Å; W754-H806 AromaticContact CD2-CD2 3.59Å; W754-H806 HydrophobicContact CE3-CB 4.48Å; W754-H806 AromaticContact CE3-CD2 3.72Å; W754-H806 AromaticContact CG-CD2 3.85Å; W754-H806 HydrophobicContact CH2-CB 4.19Å; W754-H806 HydrophobicContact CZ2-CB 3.73Å; W754-L960 HydrophobicContact CD2-CD1 3.92Å; W754-L960 HydrophobicContact CG-CD1 4.22Å; W754-L960 HydrophobicContact CH2-CD1 4.46Å; W754-L960 HydrophobicContact CZ2-CB 3.93Å; W754-L960 HydrophobicContact CZ2-CD1 3.81Å; W754-L960 HydrophobicContact CZ2-CG 4.49Å
755K94.6Very high91.5Very high49 Ų4936.9 Ų36.921%0.21318%0.181CC..Hα-helixtrans-63.1-36.4176.8-71.2165.7-172.81570113.1W716 E751 N752 I753 F759W716-K755 HydrophobicContact CB-CD 4.07Å; W716-K755 HydrophobicContact CD2-CB 4.1Å; W716-K755 HydrophobicContact CD2-CD 3.87Å; W716-K755 HydrophobicContact CD2-CG 4.46Å; W716-K755 HydrophobicContact CE3-CB 4.04Å; W716-K755 HydrophobicContact CE3-CD 4.05Å; W716-K755 HydrophobicContact CG-CD 3.86Å; W716-K755 HydrophobicContact CH2-CB 3.99Å; W716-K755 HydrophobicContact CZ2-CB 4.02Å; W716-K755 HydrophobicContact CZ3-CB 3.99Å; E751-K755 WeakPolarHBondContact O-CD 3.47Å; E751-K755 WeakPolarHBondContact O-CG 3.21Å; E751-K755 PolarHBondContact O-N 2.7Å; E751-K755 WeakPolarHBondContact OE1-CE 3.49Å; E751-K755 IonicContact OE1-NZ 2.95Å; E751-K755 PolarHBondContact OE1-NZ 2.92Å; N752-K755 PolarHBondContact O-N 2.88Å; I753-K755 PolarHBondContact O-N 3.44Å; K755-F759 VanDerWaalsContact O-CB 3.28Å; K755-F759 WeakPolarHBondContact O-CB 3.31Å; K755-F759 PolarHBondContact O-N 2.87Å
756L95.1Very high91.2Very high0 Ų042 Ų420%022%0.215CC..Hα-helixtrans-66.3-47.3171.9-75.9169.7000111.2L611 V613 F712 W716 F719 V743 N752 I753 W754 D758 F759 Y760L611-L756 HydrophobicContact CD2-CD2 4.3Å; V613-L756 HydrophobicContact CG1-CD1 4.23Å; V613-L756 HydrophobicContact CG2-CD1 4.12Å; F712-L756 HydrophobicContact CE1-CD1 3.8Å; F712-L756 HydrophobicContact CZ-CD1 3.65Å; W716-L756 HydrophobicContact CH2-CD2 4.05Å; W716-L756 HydrophobicContact CH2-CG 4.28Å; W716-L756 HydrophobicContact CZ3-CD2 4.46Å; W716-L756 HydrophobicContact CZ3-CG 4.42Å; F719-L756 HydrophobicContact CE1-CD2 4.21Å; F719-L756 HydrophobicContact CZ-CD2 4.27Å; V743-L756 HydrophobicContact CG1-CD1 4.42Å; N752-L756 WeakPolarHBondContact O-CG 3.32Å; N752-L756 PolarHBondContact O-N 3.18Å; I753-L756 PolarHBondContact O-N 2.87Å; W754-L756 VanDerWaalsContact C-N 3.34Å; W754-L756 PolarHBondContact O-N 2.87Å; L756-D758 VanDerWaalsContact C-N 3.32Å; L756-D758 PolarHBondContact O-N 3.05Å; L756-F759 WeakPolarHBondContact O-CB 3.47Å; L756-F759 PolarHBondContact O-N 3.24Å; L756-Y760 VanDerWaalsContact O-CD2 3.26Å; L756-Y760 WeakPolarHBondContact O-CD2 3.5Å; L756-Y760 PolarHBondContact O-N 2.91Å
757C94.9Very high91Very high0 Ų042.3 Ų42.30%021%0.214CC..Hα-helixtrans-59.8-43.2177.8-66.90000112.1I753 W754 F759 Y760 M761 P768 L771 L772 L775 L960I753-C757 PolarHBondContact O-N 3.06Å; I753-C757 PolarHBondContact O-SG 2.71Å; W754-C757 PolarHBondContact O-N 3.29Å; C757-F759 VanDerWaalsContact C-N 3.35Å; C757-F759 PolarHBondContact O-N 2.94Å; C757-Y760 PolarHBondContact O-N 3.07Å; C757-M761 VanDerWaalsContact O-CG 3.31Å; C757-M761 WeakPolarHBondContact O-CG 3.16Å; C757-M761 PolarHBondContact O-N 3.01Å; C757-P768 HydrophobicContact CB-CG 4.36Å; C757-L771 WeakPolarHBondContact SG-CB 3.46Å; C757-L772 HydrophobicContact CB-CD2 3.81Å; C757-L775 HydrophobicContact CB-CD1 4.15Å; C757-L960 HydrophobicContact CB-CD1 3.83Å; C757-L960 HydrophobicContact CB-CD2 4.22Å
758D92.7Very high91Very high31 Ų3141.3 Ų41.317%0.16621%0.208CC..Hα-helixtrans-59.7-45.1175.3175.656.5000111.5W754 L756 M761 K762 L960W754-D758 HydrophobicContact CE3-CB 4.13Å; W754-D758 HydrophobicContact CH2-CB 4.17Å; W754-D758 HydrophobicContact CZ3-CB 3.81Å; W754-D758 WeakPolarHBondContact O-CB 3.41Å; W754-D758 PolarHBondContact O-N 3.38Å; L756-D758 VanDerWaalsContact C-N 3.32Å; L756-D758 PolarHBondContact O-N 3.05Å; D758-M761 PolarHBondContact O-N 3.32Å; D758-K762 WeakPolarHBondContact O-CB 3.44Å; D758-K762 WeakPolarHBondContact O-CD 3.34Å; D758-K762 VanDerWaalsContact O-CG 3.32Å; D758-K762 WeakPolarHBondContact O-CG 3.17Å; D758-K762 PolarHBondContact O-N 2.94Å; D758-K762 WeakPolarHBondContact OD1-CE 3.37Å; D758-K762 IonicContact OD1-NZ 2.75Å; D758-K762 PolarHBondContact OD1-NZ 2.93Å; D758-K762 IonicContact OD2-NZ 3.01Å; D758-K762 PolarHBondContact OD2-NZ 2.83Å; D758-L960 HydrophobicContact CB-CD1 3.89Å
759F92.9Very high91Very high13 Ų1339.2 Ų39.26%0.05720%0.204CC..Hα-helixtrans-61.6-47.7175.1179.5-94.1000112.5L601 E602 V605 L611 K755 L756 C757 M761 K762 H763 L765L601-F759 HydrophobicContact CD1-CE1 3.95Å; L601-F759 HydrophobicContact CD1-CE2 4.11Å; L601-F759 HydrophobicContact CD1-CZ 3.55Å; L601-F759 HydrophobicContact CD2-CD1 4.43Å; L601-F759 HydrophobicContact CD2-CD2 3.7Å; L601-F759 HydrophobicContact CD2-CE1 4.25Å; L601-F759 HydrophobicContact CD2-CE2 3.49Å; L601-F759 VanDerWaalsContact CD2-CE2 3.49Å; L601-F759 HydrophobicContact CD2-CG 4.17Å; L601-F759 HydrophobicContact CD2-CZ 3.78Å; L601-F759 HydrophobicContact CG-CD2 4.17Å; L601-F759 HydrophobicContact CG-CE1 4.17Å; L601-F759 HydrophobicContact CG-CE2 3.41Å; L601-F759 VanDerWaalsContact CG-CE2 3.41Å; L601-F759 HydrophobicContact CG-CZ 3.4Å; L601-F759 VanDerWaalsContact CG-CZ 3.4Å; E602-F759 WeakPolarHBondContact OE1-CE2 3.24Å; V605-F759 HydrophobicContact CG2-CE1 4.21Å; V605-F759 HydrophobicContact CG2-CE2 4.29Å; V605-F759 HydrophobicContact CG2-CZ 3.46Å; V605-F759 VanDerWaalsContact CG2-CZ 3.46Å; L611-F759 HydrophobicContact CD2-CD1 4.25Å; L611-F759 HydrophobicContact CD2-CE1 4.06Å; K755-F759 VanDerWaalsContact O-CB 3.28Å; K755-F759 WeakPolarHBondContact O-CB 3.31Å; K755-F759 PolarHBondContact O-N 2.87Å; L756-F759 WeakPolarHBondContact O-CB 3.47Å; L756-F759 PolarHBondContact O-N 3.24Å; C757-F759 VanDerWaalsContact C-N 3.35Å; C757-F759 PolarHBondContact O-N 2.94Å; F759-M761 PolarHBondContact O-N 2.96Å; F759-K762 PolarHBondContact O-N 3.32Å; F759-H763 AromaticContact CD2-CD2 3.46Å; F759-H763 VanDerWaalsContact CD2-CD2 3.46Å; F759-H763 WeakPolarHBondContact CD2-CD2 3.47Å; F759-H763 AromaticContact CD2-NE2 3.74Å; F759-H763 AromaticContact CE1-CD2 3.94Å; F759-H763 AromaticContact CE2-CD2 3.2Å; F759-H763 WeakPolarHBondContact CE2-CD2 3.4Å; F759-H763 AromaticContact CE2-NE2 3.22Å; F759-H763 WeakPolarHBondContact CE2-NE2 3.38Å; F759-H763 AromaticContact CG-CD2 3.93Å; F759-H763 AromaticContact CZ-CD2 3.47Å; F759-H763 VanDerWaalsContact CZ-CD2 3.47Å; F759-H763 WeakPolarHBondContact CZ-CD2 3.35Å; F759-H763 AromaticContact CZ-NE2 3.75Å; F759-H763 WeakPolarHBondContact O-CB 3.43Å; F759-H763 PolarHBondContact O-CD2 2.76Å; F759-H763 VanDerWaalsContact O-CD2 3.31Å; F759-H763 PolarHBondContact O-N 2.98Å; F759-H763 VanDerWaalsContact O-N 3.1Å; F759-L765 HydrophobicContact CD1-CD1 4.4Å; F759-L765 HydrophobicContact CE1-CD1 4.1Å
760Y92.2Very high91.1Very high20 Ų2042.9 Ų42.98%0.07822%0.22CC..Hα-helixtrans-57.2-48.6177.4-92.2-111.5000111.7L611 V613 L756 C757 H763 K764 L765 P766 P768L611-Y760 HydrophobicContact CD2-CD2 4.34Å; L611-Y760 HydrophobicContact CD2-CE2 3.55Å; L611-Y760 HydrophobicContact CG-CE2 4Å; L611-Y760 PolarHBondContact O-OH 2.89Å; V613-Y760 HydrophobicContact CG2-CE2 4.16Å; L756-Y760 VanDerWaalsContact O-CD2 3.26Å; L756-Y760 WeakPolarHBondContact O-CD2 3.5Å; L756-Y760 PolarHBondContact O-N 2.91Å; C757-Y760 PolarHBondContact O-N 3.07Å; Y760-H763 PolarHBondContact O-N 2.65Å; Y760-K764 PolarHBondContact O-N 3.22Å; Y760-L765 HydrophobicContact CD1-CB 3.41Å; Y760-L765 VanDerWaalsContact CD1-CB 3.41Å; Y760-L765 HydrophobicContact CD1-CD1 4.09Å; Y760-L765 HydrophobicContact CD1-CG 4.4Å; Y760-L765 HydrophobicContact CD2-CD1 4.28Å; Y760-L765 HydrophobicContact CE1-CB 4.02Å; Y760-L765 HydrophobicContact CE1-CD1 4.28Å; Y760-L765 HydrophobicContact CG-CB 3.9Å; Y760-L765 HydrophobicContact CG-CD1 4.09Å; Y760-L765 PolarHBondContact O-N 3.01Å; Y760-P766 WeakPolarHBondContact CD1-O 3.24Å; Y760-P768 HydrophobicContact CD1-CB 4.43Å; Y760-P768 HydrophobicContact CD1-CG 4.35Å; Y760-P768 HydrophobicContact CG-CG 4.24Å
761M88.2Confident91.2Very high13 Ų1342.4 Ų42.46%0.06422%0.216CC..Hα-helixtrans-63.5-43179.4-66.1-59.6-53.700111.9C757 D758 F759 H763 K764 R767 E958 L960C757-M761 VanDerWaalsContact O-CG 3.31Å; C757-M761 WeakPolarHBondContact O-CG 3.16Å; C757-M761 PolarHBondContact O-N 3.01Å; D758-M761 PolarHBondContact O-N 3.32Å; F759-M761 PolarHBondContact O-N 2.96Å; M761-H763 VanDerWaalsContact C-N 3.26Å; M761-H763 PolarHBondContact O-N 3.17Å; M761-K764 PolarHBondContact O-N 3.31Å; M761-R767 HydrophobicContact SD-CB 4.36Å; M761-R767 HydrophobicContact SD-CG 3.96Å; M761-R767 PolarHBondContact SD-NH1 2.87Å; M761-E958 HydrophobicContact CE-CB 3.74Å; M761-E958 HydrophobicContact CE-CG 4.05Å; M761-L960 HydrophobicContact CG-CD2 4.17Å
762K86.7Confident91.3Very high93 Ų9338.8 Ų38.840%0.40420%0.2SC..Hα-helixtrans-62.9-31178.3-79.6166172.6161.60113.7I576 D758 F759I576-K762 HydrophobicContact CD1-CD 3.99Å; I576-K762 HydrophobicContact CD1-CG 4.45Å; D758-K762 WeakPolarHBondContact O-CB 3.44Å; D758-K762 WeakPolarHBondContact O-CD 3.34Å; D758-K762 VanDerWaalsContact O-CG 3.32Å; D758-K762 WeakPolarHBondContact O-CG 3.17Å; D758-K762 PolarHBondContact O-N 2.94Å; D758-K762 WeakPolarHBondContact OD1-CE 3.37Å; D758-K762 IonicContact OD1-NZ 2.75Å; D758-K762 PolarHBondContact OD1-NZ 2.93Å; D758-K762 IonicContact OD2-NZ 3.01Å; D758-K762 PolarHBondContact OD2-NZ 2.83Å; F759-K762 PolarHBondContact O-N 3.32Å
763H87.3Confident91.3Very high15 Ų1539 Ų397%0.06921%0.208CC..THydrogen-bonded Turntrans-98.36.8-176.8-77.4-66.6000114.8I576 W577 E602 F759 Y760 M761 L765I576-H763 WeakPolarHBondContact CG2-CE1 3.49Å; W577-H763 PolarHBondContact O-CE1 2.99Å; W577-H763 VanDerWaalsContact O-CE1 3.25Å; W577-H763 PolarHBondContact O-ND1 3.08Å; E602-H763 IonicContact OE1-CE1 2.67Å; E602-H763 IonicContact OE1-NE2 2.65Å; E602-H763 PolarHBondContact OE1-NE2 3.46Å; E602-H763 IonicContact OE2-CE1 2.62Å; E602-H763 PolarHBondContact OE2-CE1 3.32Å; E602-H763 IonicContact OE2-NE2 3.55Å; E602-H763 PolarHBondContact OE2-NE2 3.44Å; E602-H763 VanDerWaalsContact OE2-NE2 3.08Å; F759-H763 AromaticContact CD2-CD2 3.46Å; F759-H763 VanDerWaalsContact CD2-CD2 3.46Å; F759-H763 WeakPolarHBondContact CD2-CD2 3.47Å; F759-H763 AromaticContact CD2-NE2 3.74Å; F759-H763 AromaticContact CE1-CD2 3.94Å; F759-H763 AromaticContact CE2-CD2 3.2Å; F759-H763 WeakPolarHBondContact CE2-CD2 3.4Å; F759-H763 AromaticContact CE2-NE2 3.22Å; F759-H763 WeakPolarHBondContact CE2-NE2 3.38Å; F759-H763 AromaticContact CG-CD2 3.93Å; F759-H763 AromaticContact CZ-CD2 3.47Å; F759-H763 VanDerWaalsContact CZ-CD2 3.47Å; F759-H763 WeakPolarHBondContact CZ-CD2 3.35Å; F759-H763 AromaticContact CZ-NE2 3.75Å; F759-H763 WeakPolarHBondContact O-CB 3.43Å; F759-H763 PolarHBondContact O-CD2 2.76Å; F759-H763 VanDerWaalsContact O-CD2 3.31Å; F759-H763 PolarHBondContact O-N 2.98Å; F759-H763 VanDerWaalsContact O-N 3.1Å; Y760-H763 PolarHBondContact O-N 2.65Å; M761-H763 VanDerWaalsContact C-N 3.26Å; M761-H763 PolarHBondContact O-N 3.17Å; H763-L765 HydrophobicContact CB-CD1 4.4Å; H763-L765 HydrophobicContact CB-CG 3.97Å; H763-L765 PolarHBondContact O-N 3.22Å
764K83.6Confident91.2Very high100 Ų10039.7 Ų39.744%0.43521%0.212SC..THydrogen-bonded Turntrans53.731-173.8-58.4-178.4170.1-174.90113.4D580 Y760 M761D580-K764 WeakPolarHBondContact OD2-CE 3.42Å; D580-K764 IonicContact OD2-NZ 2.71Å; D580-K764 PolarHBondContact OD2-NZ 3.16Å; Y760-K764 PolarHBondContact O-N 3.22Å; M761-K764 PolarHBondContact O-N 3.31Å
765L86.3Confident91.2Very high54 Ų5438.5 Ų38.528%0.28321%0.207SC..PPolyproline II helixtrans-73.1158.1170.4-59.5-177.4000109.4F759 Y760 H763 R767F759-L765 HydrophobicContact CD1-CD1 4.4Å; F759-L765 HydrophobicContact CE1-CD1 4.1Å; Y760-L765 HydrophobicContact CD1-CB 3.41Å; Y760-L765 VanDerWaalsContact CD1-CB 3.41Å; Y760-L765 HydrophobicContact CD1-CD1 4.09Å; Y760-L765 HydrophobicContact CD1-CG 4.4Å; Y760-L765 HydrophobicContact CD2-CD1 4.28Å; Y760-L765 HydrophobicContact CE1-CB 4.02Å; Y760-L765 HydrophobicContact CE1-CD1 4.28Å; Y760-L765 HydrophobicContact CG-CB 3.9Å; Y760-L765 HydrophobicContact CG-CD1 4.09Å; Y760-L765 PolarHBondContact O-N 3.01Å; H763-L765 HydrophobicContact CB-CD1 4.4Å; H763-L765 HydrophobicContact CB-CG 3.97Å; H763-L765 PolarHBondContact O-N 3.22Å; L765-R767 PolarHBondContact O-N 3.15Å
766P87.8Confident91.1Very high108 Ų10837.4 Ų37.470%0.70121%0.206SC*.PPolyproline II helixtrans-51.8125.5-179.7-28.135.8000112.1Y760 P768Y760-P766 WeakPolarHBondContact CD1-O 3.24Å; P766-P768 WeakPolarHBondContact O-CD 3.24Å; P766-P768 VanDerWaalsContact O-N 3.15Å
767R88.9Confident90.9Very high63 Ų6342.7 Ų42.724%0.23823%0.23CC..PPolyproline II helixtrans-56.3117.9-173.6179.5173.1173.490-12.4110.5M761 L765 G769 L772 H1024M761-R767 HydrophobicContact SD-CB 4.36Å; M761-R767 HydrophobicContact SD-CG 3.96Å; M761-R767 PolarHBondContact SD-NH1 2.87Å; L765-R767 PolarHBondContact O-N 3.15Å; R767-G769 VanDerWaalsContact C-N 3.3Å; R767-G769 PolarHBondContact O-N 3.1Å; R767-L772 HydrophobicContact CG-CD1 3.91Å; R767-H1024 VanDerWaalsContact CD-CD2 3.49Å; R767-H1024 WeakPolarHBondContact CD-CD2 3.4Å; R767-H1024 WeakPolarHBondContact CD-NE2 3.26Å; R767-H1024 VanDerWaalsContact CZ-CD2 3.48Å; R767-H1024 PolarHBondContact NE-CD2 2.7Å; R767-H1024 PolarHBondContact NE-NE2 2.08Å; R767-H1024 VanDerWaalsContact NE-NE2 3.18Å
768P91.5Very high90.6Very high17 Ų1746 Ų4611%0.1124%0.243CC..  trans-8370.8-168.233.3-37000111.8C757 Y760 P766 H770 L771 L772C757-P768 HydrophobicContact CB-CG 4.36Å; Y760-P768 HydrophobicContact CD1-CB 4.43Å; Y760-P768 HydrophobicContact CD1-CG 4.35Å; Y760-P768 HydrophobicContact CG-CG 4.24Å; P766-P768 WeakPolarHBondContact O-CD 3.24Å; P766-P768 VanDerWaalsContact O-N 3.15Å; P768-H770 VanDerWaalsContact C-N 3.31Å; P768-H770 PolarHBondContact O-N 3.03Å; P768-H770 VanDerWaalsContact O-N 3.17Å; P768-L771 HydrophobicContact CB-CB 4.12Å; P768-L771 HydrophobicContact CB-CD1 3.91Å; P768-L771 HydrophobicContact CB-CG 4.07Å; P768-L771 HydrophobicContact CG-CB 4.5Å; P768-L771 HydrophobicContact CG-CD1 4.46Å; P768-L771 WeakPolarHBondContact O-CB 3.46Å; P768-L771 PolarHBondContact O-N 3.27Å; P768-L772 PolarHBondContact O-N 3.45Å
769G90.6Very high90.4Very high47 Ų4745.5 Ų45.549%0.48524%0.239SC..Hα-helixtrans-50.8-42.7-171.600000114.8R767 L771 L772 G773R767-G769 VanDerWaalsContact C-N 3.3Å; R767-G769 PolarHBondContact O-N 3.1Å; G769-L771 PolarHBondContact O-N 3.23Å; G769-L772 PolarHBondContact O-N 2.92Å; G769-G773 PolarHBondContact O-N 3.37Å
770H91.3Very high90Very high121 Ų12148.1 Ų48.156%0.5625%0.253SS*.Hα-helixtrans-61.1-42.6176.4-177.1-112000112.9P768 G773 I774P768-H770 VanDerWaalsContact C-N 3.31Å; P768-H770 PolarHBondContact O-N 3.03Å; P768-H770 VanDerWaalsContact O-N 3.17Å; H770-G773 PolarHBondContact O-N 3.48Å; H770-I774 PolarHBondContact O-N 2.97Å
771L94.8Very high89.8Confident8 Ų850.4 Ų50.44%0.04226%0.264CS..Hα-helixtrans-67.7-38.5177.5-59.9-172.7000111.7V613 V615 I753 C757 P768 G769 G773 I774 L775V613-L771 HydrophobicContact CB-CD1 4.2Å; V613-L771 HydrophobicContact CG1-CD1 3.94Å; V613-L771 HydrophobicContact CG1-CD2 4.14Å; V615-L771 HydrophobicContact CG2-CD2 3.34Å; I753-L771 HydrophobicContact CG2-CB 3.88Å; I753-L771 HydrophobicContact CG2-CD2 4.29Å; I753-L771 HydrophobicContact CG2-CG 4.48Å; C757-L771 WeakPolarHBondContact SG-CB 3.46Å; P768-L771 HydrophobicContact CB-CB 4.12Å; P768-L771 HydrophobicContact CB-CD1 3.91Å; P768-L771 HydrophobicContact CB-CG 4.07Å; P768-L771 HydrophobicContact CG-CB 4.5Å; P768-L771 HydrophobicContact CG-CD1 4.46Å; P768-L771 WeakPolarHBondContact O-CB 3.46Å; P768-L771 PolarHBondContact O-N 3.27Å; G769-L771 PolarHBondContact O-N 3.23Å; L771-G773 VanDerWaalsContact C-N 3.29Å; L771-G773 PolarHBondContact O-N 2.69Å; L771-I774 HydrophobicContact CD2-CD1 4.39Å; L771-I774 PolarHBondContact O-N 3.02Å; L771-L775 WeakPolarHBondContact O-CG 3.44Å; L771-L775 PolarHBondContact O-N 3.02Å; L771-L775 VanDerWaalsContact O-N 3.14Å
772L94.1Very high89.5Confident9 Ų953.6 Ų53.65%0.04728%0.279CS..Hα-helixtrans-63.2-37173.6-60.1-179.8000111.6C757 R767 P768 G769 L775 S776 L804 L960C757-L772 HydrophobicContact CB-CD2 3.81Å; R767-L772 HydrophobicContact CG-CD1 3.91Å; P768-L772 PolarHBondContact O-N 3.45Å; G769-L772 PolarHBondContact O-N 2.92Å; L772-L775 HydrophobicContact CD2-CD1 4.28Å; L772-L775 PolarHBondContact O-N 3.4Å; L772-S776 PolarHBondContact O-N 3.32Å; L772-S776 PolarHBondContact O-OG 3.22Å; L772-L804 HydrophobicContact CB-CD2 4.18Å; L772-L804 HydrophobicContact CD1-CD1 4.49Å; L772-L804 HydrophobicContact CD2-CD1 4.21Å; L772-L804 HydrophobicContact CD2-CD2 4.35Å; L772-L960 HydrophobicContact CD2-CD2 3.65Å
773G93.3Very high89Confident30 Ų3050.2 Ų50.231%0.30927%0.265SS..Hα-helixtrans-55.1-52.6171.600000112.1G769 H770 L771 L775 S776 Q777G769-G773 PolarHBondContact O-N 3.37Å; H770-G773 PolarHBondContact O-N 3.48Å; L771-G773 VanDerWaalsContact C-N 3.29Å; L771-G773 PolarHBondContact O-N 2.69Å; G773-L775 VanDerWaalsContact C-N 3.32Å; G773-L775 PolarHBondContact O-N 2.74Å; G773-S776 PolarHBondContact O-N 3.15Å; G773-S776 VanDerWaalsContact O-N 3.12Å; G773-S776 PolarHBondContact O-OG 2.63Å; G773-Q777 PolarHBondContact O-N 3.39Å
774I93.9Very high88.3Confident16 Ų1655.4 Ų55.48%0.08229%0.289CS..Hα-helixtrans-56.2-45.3177.3-63.4166.3000111.4V615 I753 H770 L771 S776 Q777 R778V615-I774 HydrophobicContact CB-CD1 4.29Å; V615-I774 HydrophobicContact CG1-CD1 3.71Å; V615-I774 HydrophobicContact CG2-CD1 3.71Å; I753-I774 HydrophobicContact CD1-CD1 4.44Å; I753-I774 HydrophobicContact CD1-CG2 4.13Å; H770-I774 PolarHBondContact O-N 2.97Å; L771-I774 HydrophobicContact CD2-CD1 4.39Å; L771-I774 PolarHBondContact O-N 3.02Å; I774-S776 PolarHBondContact O-N 2.76Å; I774-Q777 PolarHBondContact O-N 3.1Å; I774-R778 HydrophobicContact CG2-CG 4.36Å; I774-R778 WeakPolarHBondContact O-CB 3.42Å; I774-R778 VanDerWaalsContact O-CG 3.22Å; I774-R778 WeakPolarHBondContact O-CG 3.49Å; I774-R778 PolarHBondContact O-N 3.41Å
775L93.9Very high87.8Confident2 Ų257.4 Ų57.41%0.0130%0.303CS..Hα-helixtrans-60.8-45.2177.5-64.2174.3000111.6V750 I753 W754 C757 L771 L772 G773 R779 L804V750-L775 HydrophobicContact CG1-CD2 3.77Å; V750-L775 WeakPolarHBondContact O-CD2 3.13Å; I753-L775 HydrophobicContact CB-CD2 4.25Å; I753-L775 HydrophobicContact CG2-CD1 4.38Å; I753-L775 HydrophobicContact CG2-CD2 3.92Å; I753-L775 HydrophobicContact CG2-CG 3.99Å; W754-L775 HydrophobicContact CB-CD1 4.29Å; W754-L775 HydrophobicContact CB-CD2 3.92Å; W754-L775 HydrophobicContact CG-CD1 4.42Å; C757-L775 HydrophobicContact CB-CD1 4.15Å; L771-L775 WeakPolarHBondContact O-CG 3.44Å; L771-L775 PolarHBondContact O-N 3.02Å; L771-L775 VanDerWaalsContact O-N 3.14Å; L772-L775 HydrophobicContact CD2-CD1 4.28Å; L772-L775 PolarHBondContact O-N 3.4Å; G773-L775 VanDerWaalsContact C-N 3.32Å; G773-L775 PolarHBondContact O-N 2.74Å; L775-R779 WeakPolarHBondContact O-CG 3.43Å; L775-R779 PolarHBondContact O-N 3.07Å; L775-L804 HydrophobicContact CB-CD2 4.32Å
776S92.8Very high86.9Confident25 Ų2561.4 Ų61.418%0.17532%0.32CS..Hα-helixtrans-66.2-41.9-179.866.80000113.1L772 G773 I774 R779 L780L772-S776 PolarHBondContact O-N 3.32Å; L772-S776 PolarHBondContact O-OG 3.22Å; G773-S776 PolarHBondContact O-N 3.15Å; G773-S776 VanDerWaalsContact O-N 3.12Å; G773-S776 PolarHBondContact O-OG 2.63Å; I774-S776 PolarHBondContact O-N 2.76Å; S776-R779 PolarHBondContact O-N 3.3Å; S776-L780 PolarHBondContact O-N 3.29Å
777Q91.1Very high85.7Confident111 Ų11163.4 Ų63.452%0.51932%0.32SS..Hα-helixtrans-64.7-45.3177.7-179.9179.8-18.600111.1G773 I774 R779 L780 E781G773-Q777 PolarHBondContact O-N 3.39Å; I774-Q777 PolarHBondContact O-N 3.1Å; Q777-R779 VanDerWaalsContact C-N 3.26Å; Q777-R779 PolarHBondContact O-N 2.77Å; Q777-L780 WeakPolarHBondContact O-CB 3.47Å; Q777-L780 PolarHBondContact O-N 2.95Å; Q777-E781 HydrophobicContact CG-CG 4.49Å; Q777-E781 WeakPolarHBondContact CG-OE1 3.43Å; Q777-E781 PolarHBondContact NE2-OE1 3.47Å; Q777-E781 PolarHBondContact O-N 3.38Å; Q777-E781 VanDerWaalsContact O-N 3.08Å
778R89.4Confident84.4Confident70 Ų7062.3 Ų62.326%0.26432%0.322SS..Hα-helixtrans-60.2-34.5178.8-73.7-75.1-173.3-151.26.1112.8P747 V750 I774 L780 E781 E782P747-R778 PolarHBondContact O-NE 3.13Å; P747-R778 PolarHBondContact O-NH2 2.89Å; P747-R778 VanDerWaalsContact O-NH2 3.15Å; V750-R778 HydrophobicContact CG1-CB 4.38Å; V750-R778 HydrophobicContact CG2-CB 4.09Å; V750-R778 HydrophobicContact CG2-CG 3.7Å; I774-R778 HydrophobicContact CG2-CG 4.36Å; I774-R778 WeakPolarHBondContact O-CB 3.42Å; I774-R778 VanDerWaalsContact O-CG 3.22Å; I774-R778 WeakPolarHBondContact O-CG 3.49Å; I774-R778 PolarHBondContact O-N 3.41Å; R778-L780 VanDerWaalsContact C-N 3.31Å; R778-L780 PolarHBondContact O-N 2.98Å; R778-E781 WeakPolarHBondContact CD-OE2 3.38Å; R778-E781 IonicContact CZ-OE2 3.23Å; R778-E781 IonicContact NE-OE2 3.31Å; R778-E781 IonicContact NH1-OE2 2.69Å; R778-E781 PolarHBondContact NH1-OE2 3.31Å; R778-E781 PolarHBondContact O-N 2.66Å; R778-E782 WeakPolarHBondContact O-CB 3.5Å; R778-E782 VanDerWaalsContact O-CG 3.24Å; R778-E782 WeakPolarHBondContact O-CG 3.43Å; R778-E782 PolarHBondContact O-N 2.88Å
779R87.7Confident82.7Confident21 Ų2167.6 Ų67.68%0.07935%0.354CS..Hα-helixtrans-67.2-28.3174.8-69.5-70.5176.6-105.9-14.2113.9L775 S776 Q777 E782 R805 H806L775-R779 WeakPolarHBondContact O-CG 3.43Å; L775-R779 PolarHBondContact O-N 3.07Å; S776-R779 PolarHBondContact O-N 3.3Å; Q777-R779 VanDerWaalsContact C-N 3.26Å; Q777-R779 PolarHBondContact O-N 2.77Å; R779-E782 IonicContact CZ-OE2 2.92Å; R779-E782 IonicContact NE-OE2 3.62Å; R779-E782 VanDerWaalsContact NH1-CD 3.26Å; R779-E782 IonicContact NH1-OE1 3.49Å; R779-E782 PolarHBondContact NH1-OE1 3Å; R779-E782 IonicContact NH1-OE2 3.69Å; R779-E782 PolarHBondContact NH1-OE2 3.34Å; R779-R805 PolarHBondContact NE-O 2.77Å; R779-R805 PolarHBondContact NH2-O 3.26Å; R779-H806 PolarHBondContact NH2-O 3.41Å
780L85.6Confident81.4Confident68 Ų6866.6 Ų66.636%0.35634%0.34SS..Hα-helixtrans-73-51.8172.2-65.3169.9000109.8S776 Q777 R778 E782 Q783 E784 M797 H812S776-L780 PolarHBondContact O-N 3.29Å; Q777-L780 WeakPolarHBondContact O-CB 3.47Å; Q777-L780 PolarHBondContact O-N 2.95Å; R778-L780 VanDerWaalsContact C-N 3.31Å; R778-L780 PolarHBondContact O-N 2.98Å; L780-E782 PolarHBondContact O-N 3.27Å; L780-Q783 PolarHBondContact O-N 2.86Å; L780-Q783 VanDerWaalsContact O-N 3.12Å; L780-E784 PolarHBondContact O-N 2.81Å; L780-E784 VanDerWaalsContact O-N 3.1Å; L780-M797 HydrophobicContact CD2-CE 3.73Å; L780-H812 HydrophobicContact CD2-CB 4.07Å
781E86.6Confident80.3Confident67 Ų6769.8 Ų69.831%0.31335%0.347SS..Hα-helixtrans-57.6-45.3-179.7-66.9172-176.400112.9Q777 R778 Q783 E784 L785Q777-E781 HydrophobicContact CG-CG 4.49Å; Q777-E781 WeakPolarHBondContact CG-OE1 3.43Å; Q777-E781 PolarHBondContact NE2-OE1 3.47Å; Q777-E781 PolarHBondContact O-N 3.38Å; Q777-E781 VanDerWaalsContact O-N 3.08Å; R778-E781 WeakPolarHBondContact CD-OE2 3.38Å; R778-E781 IonicContact CZ-OE2 3.23Å; R778-E781 IonicContact NE-OE2 3.31Å; R778-E781 IonicContact NH1-OE2 2.69Å; R778-E781 PolarHBondContact NH1-OE2 3.31Å; R778-E781 PolarHBondContact O-N 2.66Å; E781-Q783 PolarHBondContact O-N 2.87Å; E781-E784 PolarHBondContact O-N 2.68Å; E781-L785 PolarHBondContact O-N 2.91Å
782E82.2Confident79.7Confident80 Ų8072 Ų7237%0.37436%0.363SS..Hα-helixtrans-55.4-38.6176.8-79.2169.1174.900112.1R778 R779 L780 H786R778-E782 WeakPolarHBondContact O-CB 3.5Å; R778-E782 VanDerWaalsContact O-CG 3.24Å; R778-E782 WeakPolarHBondContact O-CG 3.43Å; R778-E782 PolarHBondContact O-N 2.88Å; R779-E782 IonicContact CZ-OE2 2.92Å; R779-E782 IonicContact NE-OE2 3.62Å; R779-E782 VanDerWaalsContact NH1-CD 3.26Å; R779-E782 IonicContact NH1-OE1 3.49Å; R779-E782 PolarHBondContact NH1-OE1 3Å; R779-E782 IonicContact NH1-OE2 3.69Å; R779-E782 PolarHBondContact NH1-OE2 3.34Å; L780-E782 PolarHBondContact O-N 3.27Å; E782-H786 PolarHBondContact O-N 2.98Å; E782-H786 PolarHBondContact O-ND1 3.37Å
783Q75.6Confident79.3Confident22 Ų2272.9 Ų72.910%0.10337%0.367CS..Hα-helixtrans-80.6-33.7-177.7-173.8-166.4-33.700112.9L780 E781 L785 H786 Q787 H812L780-Q783 PolarHBondContact O-N 2.86Å; L780-Q783 VanDerWaalsContact O-N 3.12Å; E781-Q783 PolarHBondContact O-N 2.87Å; Q783-L785 PolarHBondContact O-N 3.19Å; Q783-H786 PolarHBondContact O-N 2.9Å; Q783-Q787 PolarHBondContact O-N 2.92Å; Q783-Q787 VanDerWaalsContact O-N 3.14Å; Q783-H812 VanDerWaalsContact OE1-CA 3.26Å; Q783-H812 PolarHBondContact OE1-ND1 3.14Å
784E74.3Confident79.2Confident124 Ų12471.4 Ų71.458%0.57935%0.352SS*.Hα-helixtrans-60.7-32.6173.8-65.3-158.7128.800111.5L780 E781 K1041L780-E784 PolarHBondContact O-N 2.81Å; L780-E784 VanDerWaalsContact O-N 3.1Å; E781-E784 PolarHBondContact O-N 2.68Å; E784-K1041 IonicContact OE1-NZ 3.3Å; E784-K1041 PolarHBondContact OE1-NZ 2.81Å
785L73.3Confident79Confident142 Ų14276.3 Ų76.374%0.74338%0.375SS*.Hα-helixtrans-73.8-38.1177.3-170.866.8000113.9E781 Q783E781-L785 PolarHBondContact O-N 2.91Å; Q783-L785 PolarHBondContact O-N 3.19Å
786H66.5Low78.9Confident138 Ų13876.4 Ų76.464%0.63938%0.375SS*.Hα-helixtrans-95.9-4.9-171.7-67.881.9000114.7E782 Q783E782-H786 PolarHBondContact O-N 2.98Å; E782-H786 PolarHBondContact O-ND1 3.37Å; Q783-H786 PolarHBondContact O-N 2.9Å
787Q61.8Low78.9Confident150 Ų15075.6 Ų75.670%0.70137%0.369SS*.  trans60.3149.7-167.1-58.7-173.65.300113.8Q783 T789Q783-Q787 PolarHBondContact O-N 2.92Å; Q783-Q787 VanDerWaalsContact O-N 3.14Å; Q787-T789 PolarHBondContact O-N 3.25Å
788P62.1Low78.9Confident41 Ų4171.4 Ų71.427%0.26635%0.353SS..  trans-75.687.2179.630.3-34.2000111.8S790 R811P788-S790 PolarHBondContact O-N 3.39Å; P788-R811 HydrophobicContact CB-CB 4.34Å; P788-R811 HydrophobicContact CB-CG 4.1Å
789T56.4Low79Confident127 Ų12768.5 Ų68.578%0.77934%0.344SS*.  trans-65.2-24.7172.253.20000113.3Q787Q787-T789 PolarHBondContact O-N 3.25Å
790S63.8Low79.3Confident27 Ų2768.5 Ų68.519%0.18935%0.345CS..  trans-90.3126.7177.6-175.30000112.2P788 S792 M809 R811P788-S790 PolarHBondContact O-N 3.39Å; S790-S792 VanDerWaalsContact C-N 3.29Å; S790-S792 PolarHBondContact O-N 3.04Å; S790-S792 PolarHBondContact OG-N 3.44Å; S790-S792 PolarHBondContact OG-OG 3.37Å; S790-M809 WeakPolarHBondContact CB-O 3.43Å; S790-M809 PolarHBondContact OG-O 3.4Å; S790-R811 WeakPolarHBondContact O-CB 3.28Å
791R67.9Low79.7Confident188 Ų18865.9 Ų65.971%0.70933%0.334SS*.SBendtrans-65.8-30174.2-64.5-177.3179.5-172.5-1.3112.7R811 W815R791-R811 PolarHBondContact O-NE 3.06Å; R791-R811 PolarHBondContact O-NH2 3.24Å; R791-W815 HydrophobicContact CB-CH2 4.42Å; R791-W815 VanDerWaalsContact O-CH2 3.24Å; R791-W815 WeakPolarHBondContact O-CH2 3.29Å
792S81.4Confident80Confident55 Ų5563.1 Ų63.139%0.38532%0.321SS..SBendtrans-90.9130.7-170.657.90000113.7S790 Y810 R811S790-S792 VanDerWaalsContact C-N 3.29Å; S790-S792 PolarHBondContact O-N 3.04Å; S790-S792 PolarHBondContact OG-N 3.44Å; S790-S792 PolarHBondContact OG-OG 3.37Å; S792-Y810 WeakPolarHBondContact OG-CD1 3.42Å; S792-R811 PolarHBondContact O-N 3.34Å
793L87Confident80.5Confident26 Ų2659.3 Ų59.314%0.13630%0.304CS..BIsolated β-bridgetrans-64.4138.3173.7-17168.3000110.9H795 M797 A798 R811 M814L793-H795 PolarHBondContact O-N 2.86Å; L793-M797 HydrophobicContact CD1-CG 4.37Å; L793-A798 HydrophobicContact CD2-CB 3.84Å; L793-A798 HydrophobicContact CG-CB 4.28Å; L793-R811 CarbonylContact C-O 3.53Å; L793-R811 WeakPolarHBondContact CA-O 3.31Å; L793-R811 WeakPolarHBondContact CD1-O 3.43Å; L793-M814 HydrophobicContact CD2-CG 4.47Å
794C90.2Very high81.3Confident0 Ų058.4 Ų58.40%030%0.299CS..PPolyproline II helixtrans-63.2126.6179.8176.50000110.4Q796 M797 A798 C808 R811 H812C794-Q796 VanDerWaalsContact C-N 3.26Å; C794-Q796 PolarHBondContact O-N 3.37Å; C794-M797 HydrophobicContact CB-CB 3.86Å; C794-M797 WeakPolarHBondContact O-CB 3.48Å; C794-M797 PolarHBondContact O-N 3.08Å; C794-A798 PolarHBondContact O-N 3.39Å; C794-C808 VanDerWaalsContact SG-SG 3.61Å; C794-R811 WeakPolarHBondContact CB-O 3.31Å; C794-R811 PolarHBondContact N-O 3.32Å; C794-H812 VanDerWaalsContact CB-CD2 3.4Å; C794-H812 WeakPolarHBondContact CB-CD2 3.23Å
795H89.8Confident82Confident118 Ų11855.3 Ų55.355%0.54628%0.282SS..THydrogen-bonded Turntrans-61.5-30.5-177.6-79.650.9000113.9L793 A799L793-H795 PolarHBondContact O-N 2.86Å; H795-A799 WeakPolarHBondContact O-CB 3.42Å; H795-A799 PolarHBondContact O-N 3.05Å
796Q92.8Very high82.5Confident5 Ų551.1 Ų51.12%0.02326%0.259CS..THydrogen-bonded Turntrans-71.4-42.4172.6-72.6-164.43.200111.3C794 A799 F800 D802 L960 D961C794-Q796 VanDerWaalsContact C-N 3.26Å; C794-Q796 PolarHBondContact O-N 3.37Å; Q796-A799 PolarHBondContact O-N 3.25Å; Q796-A799 VanDerWaalsContact O-N 3.1Å; Q796-F800 HydrophobicContact CB-CD2 4.29Å; Q796-F800 WeakPolarHBondContact O-CB 3.48Å; Q796-F800 WeakPolarHBondContact O-CD2 3.24Å; Q796-F800 PolarHBondContact O-N 2.72Å; Q796-D802 CarbonylContact C-O 3.58Å; Q796-D802 VanDerWaalsContact C-O 3.25Å; Q796-L960 PolarHBondContact NE2-O 2.8Å; Q796-L960 VanDerWaalsContact NE2-O 3.16Å; Q796-D961 PolarHBondContact NE2-O 2.92Å
797M91.9Very high83.3Confident7 Ų752.2 Ų52.23%0.03426%0.261CS..Hα-helixtrans-60.3-49.6176.7-178.552.981.700110.6L780 L793 C794 A799 F800 G801 D802 H812 M1036L780-M797 HydrophobicContact CD2-CE 3.73Å; L793-M797 HydrophobicContact CD1-CG 4.37Å; C794-M797 HydrophobicContact CB-CB 3.86Å; C794-M797 WeakPolarHBondContact O-CB 3.48Å; C794-M797 PolarHBondContact O-N 3.08Å; M797-A799 PolarHBondContact O-N 3.46Å; M797-A799 VanDerWaalsContact O-N 3.15Å; M797-F800 PolarHBondContact O-N 3.06Å; M797-G801 WeakPolarHBondContact O-CA 3.32Å; M797-G801 PolarHBondContact O-N 3.34Å; M797-G801 VanDerWaalsContact SD-O 3.35Å; M797-D802 PolarHBondContact N-O 3.38Å; M797-H812 HydrophobicContact CE-CB 3.82Å; M797-H812 HydrophobicContact CG-CB 4.35Å; M797-M1036 HydrophobicContact CG-CG 4.25Å; M797-M1036 HydrophobicContact CG-SD 3.56Å; M797-M1036 VanDerWaalsContact CG-SD 3.56Å; M797-M1036 HydrophobicContact SD-CB 4.25Å; M797-M1036 HydrophobicContact SD-CG 3.89Å; M797-M1036 HydrophobicContact SD-SD 3.68Å; M797-M1036 VanDerWaalsContact SD-SD 3.68Å
798A91.1Very high84.5Confident23 Ų2346.3 Ų46.319%0.1924%0.237CC..Hα-helixtrans-63.7-17175.200000114.8L793 C794L793-A798 HydrophobicContact CD2-CB 3.84Å; L793-A798 HydrophobicContact CG-CB 4.28Å; C794-A798 PolarHBondContact O-N 3.39Å
799A92.3Very high85.5Confident9 Ų952 Ų527%0.07426%0.261CS..Hα-helixtrans-98-35.8179.500000113.7H795 Q796 M797 R951H795-A799 WeakPolarHBondContact O-CB 3.42Å; H795-A799 PolarHBondContact O-N 3.05Å; Q796-A799 PolarHBondContact O-N 3.25Å; Q796-A799 VanDerWaalsContact O-N 3.1Å; M797-A799 PolarHBondContact O-N 3.46Å; M797-A799 VanDerWaalsContact O-N 3.15Å; A799-R951 VanDerWaalsContact CB-NH1 3.28Å
800F93.4Very high86.9Confident22 Ų2250.5 Ų50.510%0.09624%0.242CC..Hα-helixtrans-133.4-5.9-162.6-52.9-65.9000114Q796 M797 D802 Q956 R962 K1032Q796-F800 HydrophobicContact CB-CD2 4.29Å; Q796-F800 WeakPolarHBondContact O-CB 3.48Å; Q796-F800 WeakPolarHBondContact O-CD2 3.24Å; Q796-F800 PolarHBondContact O-N 2.72Å; M797-F800 PolarHBondContact O-N 3.06Å; F800-D802 WeakPolarHBondContact CB-OD1 3.44Å; F800-D802 PolarHBondContact O-N 3.48Å; F800-Q956 HydrophobicContact CE1-CB 3.92Å; F800-Q956 HydrophobicContact CZ-CB 4.08Å; F800-R962 VanDerWaalsContact CD2-CD 3.42Å; F800-R962 HydrophobicContact CE2-CB 4.11Å; F800-R962 VanDerWaalsContact CE2-CD 3.41Å; F800-R962 HydrophobicContact CE2-CG 4.39Å; F800-K1032 WeakPolarHBondContact O-CB 3.44Å; F800-K1032 WeakPolarHBondContact O-CD 3.48Å
801G92.7Very high88.1Confident12 Ų1249.3 Ų49.312%0.12423%0.234CC..SBendtrans70.28.9-174.400000114.6M797M797-G801 WeakPolarHBondContact O-CA 3.32Å; M797-G801 PolarHBondContact O-N 3.34Å; M797-G801 VanDerWaalsContact SD-O 3.35Å
802D93.6Very high89.2Confident9 Ų940.7 Ų40.75%0.04820%0.202CC..SBendtrans-149.7164.3175.561.68.9000111.9Q796 M797 F800 R962 K1032Q796-D802 CarbonylContact C-O 3.58Å; Q796-D802 VanDerWaalsContact C-O 3.25Å; M797-D802 PolarHBondContact N-O 3.38Å; F800-D802 WeakPolarHBondContact CB-OD1 3.44Å; F800-D802 PolarHBondContact O-N 3.48Å; D802-R962 PolarHBondContact O-NH1 3.43Å; D802-R962 VanDerWaalsContact O-NH1 3.13Å; D802-R962 IonicContact OD1-CZ 3.6Å; D802-R962 IonicContact OD1-NH1 3.45Å; D802-R962 PolarHBondContact OD1-NH1 2.98Å; D802-R962 IonicContact OD1-NH2 3.56Å; D802-R962 PolarHBondContact OD1-NH2 2.81Å; D802-R962 IonicContact OD2-NH2 3.68Å; D802-R962 PolarHBondContact OD2-NH2 2.78Å; D802-K1032 HydrophobicContact CB-CD 4.39Å; D802-K1032 WeakPolarHBondContact OD2-CE 3.36Å; D802-K1032 IonicContact OD2-NZ 2.75Å; D802-K1032 PolarHBondContact OD2-NZ 3.37Å
803C92.4Very high89.5Confident1 Ų138.9 Ų38.91%0.00719%0.188CC..  trans-127.1125.6176.3-173.70000110.7H812C803-H812 VanDerWaalsContact CB-CD2 3.47Å; C803-H812 WeakPolarHBondContact CB-CD2 3.13Å; C803-H812 PolarHBondContact SG-NE2 3.48Å
804L92.4Very high89.6Confident2 Ų237.8 Ų37.81%0.0118%0.182CC..  trans-1138.1-179.6-59.6179.7000112.8W754 L772 L775 L960W754-L804 PolarHBondContact NE1-O 2.91Å; L772-L804 HydrophobicContact CB-CD2 4.18Å; L772-L804 HydrophobicContact CD1-CD1 4.49Å; L772-L804 HydrophobicContact CD2-CD1 4.21Å; L772-L804 HydrophobicContact CD2-CD2 4.35Å; L775-L804 HydrophobicContact CB-CD2 4.32Å; L804-L960 HydrophobicContact CD1-CD2 4.44Å
805R88.8Confident89.5Confident60 Ų6039.3 Ų39.323%0.22619%0.188CC..  trans-62143.4179.5-67.9-180168.7175.5-6.3111.5R779 K807 C808R779-R805 PolarHBondContact NE-O 2.77Å; R779-R805 PolarHBondContact NH2-O 3.26Å; R805-K807 VanDerWaalsContact C-N 3.29Å; R805-K807 WeakPolarHBondContact CB-O 3.11Å; R805-K807 PolarHBondContact O-N 3.12Å; R805-C808 HydrophobicContact CB-CB 4.23Å
806H84.8Confident89.4Confident53 Ų5340.3 Ų40.325%0.24519%0.187CC..SBendtrans-61.8-36.7177.8-175.5-113.1000113E751 W754 R779E751-H806 VanDerWaalsContact CD-NE2 3.34Å; E751-H806 IonicContact OE1-CE1 3.72Å; E751-H806 IonicContact OE1-NE2 2.69Å; E751-H806 PolarHBondContact OE1-NE2 3.04Å; E751-H806 IonicContact OE2-CD2 2.73Å; E751-H806 IonicContact OE2-CE1 3.26Å; E751-H806 PolarHBondContact OE2-CE1 2.77Å; E751-H806 IonicContact OE2-NE2 3.96Å; E751-H806 PolarHBondContact OE2-NE2 3.47Å; W754-H806 HydrophobicContact CD2-CB 4.08Å; W754-H806 AromaticContact CD2-CD2 3.59Å; W754-H806 HydrophobicContact CE3-CB 4.48Å; W754-H806 AromaticContact CE3-CD2 3.72Å; W754-H806 AromaticContact CG-CD2 3.85Å; W754-H806 HydrophobicContact CH2-CB 4.19Å; W754-H806 HydrophobicContact CZ2-CB 3.73Å; R779-H806 PolarHBondContact NH2-O 3.41Å
807K83.6Confident89Confident161 Ų16144.3 Ų44.370%0.721%0.209SC*.SBendtrans-142.2147165.5-63-175.5-180-177.10107.9R805R805-K807 VanDerWaalsContact C-N 3.29Å; R805-K807 WeakPolarHBondContact CB-O 3.11Å; R805-K807 PolarHBondContact O-N 3.12Å
808C85.6Confident88.7Confident27 Ų2745.1 Ų45.118%0.18221%0.212CC..  trans-142.6125.6179.1-164.90000110.9C794 R805 H812C794-C808 VanDerWaalsContact SG-SG 3.61Å; R805-C808 HydrophobicContact CB-CB 4.23Å; C808-H812 PolarHBondContact SG-NE2 3.15Å
809M83.9Confident88.6Confident159 Ų15945.3 Ų45.378%0.78321%0.211SC*.  trans-97.49.1179.4-51.2-55.7-66.400112.8S790S790-M809 WeakPolarHBondContact CB-O 3.43Å; S790-M809 PolarHBondContact OG-O 3.4Å
810Y86.4Confident88.4Confident96 Ų9651.1 Ų51.138%0.37624%0.24SC..SBendtrans-104.4152.4-175.2-62.1-90.7000110.7S792 H812S792-Y810 WeakPolarHBondContact OG-CD1 3.42Å; Y810-H812 PolarHBondContact O-CE1 2.97Å; Y810-H812 PolarHBondContact O-ND1 3.49Å
811R88.9Confident88.3Confident3 Ų350.8 Ų50.81%0.01124%0.24CC..BIsolated β-bridgetrans-65.8132.1175.4169.1172.46294.8-5.2110.5P788 S790 R791 S792 L793 C794 V813 W815 E818P788-R811 HydrophobicContact CB-CB 4.34Å; P788-R811 HydrophobicContact CB-CG 4.1Å; S790-R811 WeakPolarHBondContact O-CB 3.28Å; R791-R811 PolarHBondContact O-NE 3.06Å; R791-R811 PolarHBondContact O-NH2 3.24Å; S792-R811 PolarHBondContact O-N 3.34Å; L793-R811 CarbonylContact C-O 3.53Å; L793-R811 WeakPolarHBondContact CA-O 3.31Å; L793-R811 WeakPolarHBondContact CD1-O 3.43Å; C794-R811 WeakPolarHBondContact CB-O 3.31Å; C794-R811 PolarHBondContact N-O 3.32Å; R811-V813 VanDerWaalsContact CD-O 3.26Å; R811-V813 WeakPolarHBondContact CD-O 3.33Å; R811-V813 HydrophobicContact CG-CB 4.47Å; R811-V813 WeakPolarHBondContact CG-O 3.2Å; R811-V813 PolarHBondContact NH1-O 2.85Å; R811-W815 VanDerWaalsContact CZ-CD2 3.47Å; R811-W815 VanDerWaalsContact CZ-CE2 3.43Å; R811-W815 VanDerWaalsContact NH2-CE3 3.31Å; R811-E818 IonicContact CZ-OE1 3.88Å; R811-E818 IonicContact CZ-OE2 3.74Å; R811-E818 IonicContact NH1-OE1 2.69Å; R811-E818 IonicContact NH1-OE2 2.78Å; R811-E818 PolarHBondContact NH1-OE2 3.36Å; R811-E818 IonicContact NH2-OE1 2.93Å; R811-E818 PolarHBondContact NH2-OE1 2.94Å; R811-E818 IonicContact NH2-OE2 2.7Å; R811-E818 PolarHBondContact NH2-OE2 2.86Å
812H90.4Very high88.1Confident7 Ų752 Ų523%0.03225%0.246CC..  trans-109.517.3173.3-45.5104000112.7L780 Q783 C794 M797 C803 C808 Y810L780-H812 HydrophobicContact CD2-CB 4.07Å; Q783-H812 VanDerWaalsContact OE1-CA 3.26Å; Q783-H812 PolarHBondContact OE1-ND1 3.14Å; C794-H812 VanDerWaalsContact CB-CD2 3.4Å; C794-H812 WeakPolarHBondContact CB-CD2 3.23Å; M797-H812 HydrophobicContact CE-CB 3.82Å; M797-H812 HydrophobicContact CG-CB 4.35Å; C803-H812 VanDerWaalsContact CB-CD2 3.47Å; C803-H812 WeakPolarHBondContact CB-CD2 3.13Å; C803-H812 PolarHBondContact SG-NE2 3.48Å; C808-H812 PolarHBondContact SG-NE2 3.15Å; Y810-H812 PolarHBondContact O-CE1 2.97Å; Y810-H812 PolarHBondContact O-ND1 3.49Å
813V87.6Confident87.9Confident17 Ų1758.7 Ų58.710%0.10328%0.281CS..SBendtrans-118.5122.2175.1172.40000107.6R811 K1041R811-V813 VanDerWaalsContact CD-O 3.26Å; R811-V813 WeakPolarHBondContact CD-O 3.33Å; R811-V813 HydrophobicContact CG-CB 4.47Å; R811-V813 WeakPolarHBondContact CG-O 3.2Å; R811-V813 PolarHBondContact NH1-O 2.85Å; V813-K1041 HydrophobicContact CG1-CB 3.99Å; V813-K1041 HydrophobicContact CG1-CD 3.87Å; V813-K1041 HydrophobicContact CG1-CG 3.71Å
814M88.3Confident87.9Confident2 Ų260.9 Ų60.91%0.0129%0.291CS..  trans-76.2143.2177.1-162.5174.1-16100110.7L793 E818 V819 I996 H997 M1036 V1037 S1040 K1041L793-M814 HydrophobicContact CD2-CG 4.47Å; M814-E818 HydrophobicContact CE-CB 3.87Å; M814-E818 WeakPolarHBondContact CE-O 3.14Å; M814-E818 HydrophobicContact CG-CB 4.02Å; M814-V819 HydrophobicContact CG-CG2 4.46Å; M814-V819 HydrophobicContact SD-CG2 4.05Å; M814-I996 HydrophobicContact CE-CG2 3.55Å; M814-I996 HydrophobicContact SD-CG2 4.05Å; M814-H997 HydrophobicContact CE-CB 3.74Å; M814-M1036 HydrophobicContact CB-CG 4.21Å; M814-M1036 HydrophobicContact SD-CE 3.82Å; M814-V1037 HydrophobicContact SD-CG2 4.12Å; M814-S1040 VanDerWaalsContact O-CA 3.23Å; M814-S1040 WeakPolarHBondContact O-CA 3.18Å; M814-S1040 WeakPolarHBondContact O-CB 3.05Å; M814-K1041 PolarHBondContact O-N 3.1Å
815W88.4Confident87.9Confident33 Ų3361.1 Ų61.113%0.12529%0.292CS..BIsolated β-bridgetrans-86153.6171.2-60.5-45.3000111.2R791 R811 D817 E818 V819 K1041 C1043R791-W815 HydrophobicContact CB-CH2 4.42Å; R791-W815 VanDerWaalsContact O-CH2 3.24Å; R791-W815 WeakPolarHBondContact O-CH2 3.29Å; R811-W815 VanDerWaalsContact CZ-CD2 3.47Å; R811-W815 VanDerWaalsContact CZ-CE2 3.43Å; R811-W815 VanDerWaalsContact NH2-CE3 3.31Å; W815-D817 VanDerWaalsContact C-N 3.33Å; W815-D817 WeakPolarHBondContact CB-OD1 3.49Å; W815-D817 PolarHBondContact O-N 2.98Å; W815-E818 HydrophobicContact CB-CG 4.11Å; W815-E818 HydrophobicContact CE3-CG 4.13Å; W815-E818 PolarHBondContact N-OE2 3.2Å; W815-E818 WeakPolarHBondContact O-CB 3.19Å; W815-E818 PolarHBondContact O-N 3.29Å; W815-E818 VanDerWaalsContact O-N 3.09Å; W815-V819 PolarHBondContact O-N 2.71Å; W815-K1041 CarbonylContact C-O 3.54Å; W815-K1041 VanDerWaalsContact CA-O 3.24Å; W815-K1041 WeakPolarHBondContact CA-O 3.18Å; W815-C1043 HydrophobicContact CB-CB 4.4Å; W815-C1043 HydrophobicContact CD2-CB 4.07Å; W815-C1043 HydrophobicContact CG-CB 3.97Å
816R88.3Confident88.1Confident138 Ų13859.2 Ų59.252%0.52129%0.288SS..Hα-helixtrans-62.8-35.8-177.4-70.3-167.4-173.2140.23.3113.8E818 V819 K1041 D1042R816-E818 VanDerWaalsContact C-N 3.27Å; R816-E818 PolarHBondContact O-N 3.45Å; R816-V819 WeakPolarHBondContact O-CB 3.26Å; R816-V819 PolarHBondContact O-N 2.79Å; R816-K1041 PolarHBondContact N-O 3.03Å; R816-D1042 WeakPolarHBondContact CD-OD1 3.43Å; R816-D1042 IonicContact CZ-OD1 3.46Å; R816-D1042 VanDerWaalsContact CZ-OD1 3.31Å; R816-D1042 IonicContact CZ-OD2 2.77Å; R816-D1042 VanDerWaalsContact CZ-OD2 3.23Å; R816-D1042 IonicContact NE-OD1 2.72Å; R816-D1042 IonicContact NH1-OD1 2.74Å; R816-D1042 PolarHBondContact NH1-OD1 3.28Å; R816-D1042 IonicContact NH1-OD2 3.55Å; R816-D1042 PolarHBondContact NH1-OD2 3.4Å; R816-D1042 IonicContact NH2-OD2 2.66Å; R816-D1042 PolarHBondContact NH2-OD2 3.18Å
817D84.1Confident88.4Confident90 Ų9062 Ų6248%0.48130%0.299SS..Hα-helixtrans-68-26.7174.464.4-41.7000112.4W815 M1046W815-D817 VanDerWaalsContact C-N 3.33Å; W815-D817 WeakPolarHBondContact CB-OD1 3.49Å; W815-D817 PolarHBondContact O-N 2.98Å; D817-M1046 HydrophobicContact CB-CE 4.28Å
818E86.3Confident88.7Confident23 Ų2360.3 Ų60.311%0.10730%0.298CS..Hα-helixtrans-76.8-22.4175.3-63.1176.9137.700113.4R811 M814 W815 R816 L820 H997R811-E818 IonicContact CZ-OE1 3.88Å; R811-E818 IonicContact CZ-OE2 3.74Å; R811-E818 IonicContact NH1-OE1 2.69Å; R811-E818 IonicContact NH1-OE2 2.78Å; R811-E818 PolarHBondContact NH1-OE2 3.36Å; R811-E818 IonicContact NH2-OE1 2.93Å; R811-E818 PolarHBondContact NH2-OE1 2.94Å; R811-E818 IonicContact NH2-OE2 2.7Å; R811-E818 PolarHBondContact NH2-OE2 2.86Å; M814-E818 HydrophobicContact CE-CB 3.87Å; M814-E818 WeakPolarHBondContact CE-O 3.14Å; M814-E818 HydrophobicContact CG-CB 4.02Å; W815-E818 HydrophobicContact CB-CG 4.11Å; W815-E818 HydrophobicContact CE3-CG 4.13Å; W815-E818 PolarHBondContact N-OE2 3.2Å; W815-E818 WeakPolarHBondContact O-CB 3.19Å; W815-E818 PolarHBondContact O-N 3.29Å; W815-E818 VanDerWaalsContact O-N 3.09Å; R816-E818 VanDerWaalsContact C-N 3.27Å; R816-E818 PolarHBondContact O-N 3.45Å; E818-L820 PolarHBondContact O-N 2.91Å; E818-H997 WeakPolarHBondContact CA-ND1 3.45Å; E818-H997 WeakPolarHBondContact O-CA 3.5Å; E818-H997 WeakPolarHBondContact O-CB 3.45Å; E818-H997 PolarHBondContact O-N 3.46Å; E818-H997 PolarHBondContact O-ND1 3.48Å
819V88.4Confident89.1Confident27 Ų2760.6 Ų60.616%0.16431%0.306CS..Hα-helixtrans-58.9-50.2-174.1168.30000112M814 W815 R816 H997 V1037M814-V819 HydrophobicContact CG-CG2 4.46Å; M814-V819 HydrophobicContact SD-CG2 4.05Å; W815-V819 PolarHBondContact O-N 2.71Å; R816-V819 WeakPolarHBondContact O-CB 3.26Å; R816-V819 PolarHBondContact O-N 2.79Å; V819-H997 PolarHBondContact O-N 2.91Å; V819-V1037 HydrophobicContact CG1-CG1 3.58Å; V819-V1037 HydrophobicContact CG1-CG2 4.43Å; V819-V1037 HydrophobicContact CG2-CG1 4.27Å
820L88.8Confident89.7Confident132 Ų13258.4 Ų58.469%0.69130%0.296SS*.SBendtrans-76.1132.2-171.9-66.7176000111.1E818E818-L820 PolarHBondContact O-N 2.91Å
821P90.1Very high90.2Very high14 Ų1454.3 Ų54.39%0.09128%0.281CS..PPolyproline II helixtrans-73.3150.617332.5-36.2000111K827 A995 H997P821-K827 HydrophobicContact CG-CD 4.5Å; P821-K827 HydrophobicContact CG-CG 4.15Å; P821-A995 HydrophobicContact CB-CB 3.9Å; P821-A995 HydrophobicContact CG-CB 3.94Å; P821-A995 WeakPolarHBondContact CG-O 3.32Å; P821-H997 VanDerWaalsContact CA-O 3.23Å; P821-H997 WeakPolarHBondContact CA-O 3.41Å; P821-H997 VanDerWaalsContact CB-O 3.31Å; P821-H997 WeakPolarHBondContact CB-O 3.33Å
822P89.8Confident90.5Very high37 Ų3759.9 Ų59.924%0.2430%0.302CS..PPolyproline II helixtrans-55.7148.4176.4-23.132.7000112.4H824 Y825 H997P822-H824 PolarHBondContact O-N 3.44Å; P822-Y825 HydrophobicContact CB-CD2 3.84Å; P822-Y825 HydrophobicContact CB-CE2 4.22Å; P822-Y825 HydrophobicContact CG-CD2 3.91Å; P822-Y825 HydrophobicContact CG-CE2 3.94Å; P822-Y825 HydrophobicContact CG-CG 4.48Å; P822-Y825 VanDerWaalsContact O-CB 3.31Å; P822-Y825 WeakPolarHBondContact O-CB 3.47Å; P822-Y825 PolarHBondContact O-N 3.35Å; P822-H997 WeakPolarHBondContact CD-O 3.41Å
823D89.1Confident90.7Very high150 Ų15059.5 Ų59.580%0.80230%0.3SS*.THydrogen-bonded Turntrans-61-26.1-169.1-67.1-46.5000115.9Y825D823-Y825 VanDerWaalsContact C-N 3.31Å
824H91Very high90.9Very high47 Ų4759.6 Ų59.622%0.21830%0.3CS..THydrogen-bonded Turntrans-79.9-10.6175.958.3-76.7000113.4P822 Q851 R945P822-H824 PolarHBondContact O-N 3.44Å; H824-Q851 PolarHBondContact O-NE2 3.26Å; H824-Q851 PolarHBondContact O-OE1 2.91Å; H824-R945 WeakPolarHBondContact NE2-CG 3.45Å; H824-R945 PolarHBondContact NE2-O 2.99Å
825Y93.7Very high91.1Very high7 Ų760.7 Ų60.73%0.02731%0.307CS..SBendtrans-76.5133.2177.1-83.2-128.4000110.8P822 D823 K827 R945 M948 R998 I1000P822-Y825 HydrophobicContact CB-CD2 3.84Å; P822-Y825 HydrophobicContact CB-CE2 4.22Å; P822-Y825 HydrophobicContact CG-CD2 3.91Å; P822-Y825 HydrophobicContact CG-CE2 3.94Å; P822-Y825 HydrophobicContact CG-CG 4.48Å; P822-Y825 VanDerWaalsContact O-CB 3.31Å; P822-Y825 WeakPolarHBondContact O-CB 3.47Å; P822-Y825 PolarHBondContact O-N 3.35Å; D823-Y825 VanDerWaalsContact C-N 3.31Å; Y825-K827 PolarHBondContact O-N 3.08Å; Y825-R945 HydrophobicContact CE2-CG 4.35Å; Y825-M948 HydrophobicContact CD1-SD 4.31Å; Y825-M948 HydrophobicContact CD2-CE 3.81Å; Y825-M948 HydrophobicContact CD2-SD 4.2Å; Y825-M948 HydrophobicContact CE1-CB 3.99Å; Y825-M948 HydrophobicContact CE1-CG 3.99Å; Y825-M948 HydrophobicContact CE1-SD 4.29Å; Y825-M948 HydrophobicContact CE2-CE 3.91Å; Y825-M948 HydrophobicContact CE2-CG 3.92Å; Y825-M948 HydrophobicContact CE2-SD 4.2Å; Y825-M948 HydrophobicContact CG-CE 4.35Å; Y825-M948 HydrophobicContact CG-SD 4.27Å; Y825-R998 WeakPolarHBondContact CE1-O 3.48Å; Y825-R998 PolarHBondContact OH-O 3.38Å; Y825-I1000 HydrophobicContact CD1-CD1 3.96Å; Y825-I1000 HydrophobicContact CD1-CG1 3.71Å; Y825-I1000 HydrophobicContact CE1-CD1 4.33Å; Y825-I1000 HydrophobicContact CE1-CG1 4.13Å
826P93.6Very high91.2Very high21 Ų2160.3 Ų60.314%0.13631%0.307CS..  trans-68.2122.8176.627.8-33.3000109.8I831 L848 V992 I1000P826-I831 HydrophobicContact CB-CG2 3.77Å; P826-I831 HydrophobicContact CG-CG2 3.69Å; P826-L848 HydrophobicContact CG-CD1 3.86Å; P826-V992 HydrophobicContact CB-CG2 4.29Å; P826-V992 HydrophobicContact CG-CG2 4.21Å; P826-I1000 HydrophobicContact CG-CD1 3.88Å
827K89.9Confident91.3Very high111 Ų11155.6 Ų55.648%0.48329%0.294SS..  trans-85.6-24-178.9-62.4177.2-176.6174.30112.6P821 Y825P821-K827 HydrophobicContact CG-CD 4.5Å; P821-K827 HydrophobicContact CG-CG 4.15Å; Y825-K827 PolarHBondContact O-N 3.08Å
828N90.8Very high91.7Very high126 Ų12651.8 Ų51.867%0.67427%0.274SS*.SBendtrans-158.7175.917558.351.2000110.3
829G94.2Very high91.9Very high33 Ų3353 Ų5334%0.3428%0.278SS..EExtended strand (participates in β ladder)trans95.4-177.9171.300000115.4V991 V992G829-V991 WeakPolarHBondContact O-CA 3.39Å; G829-V992 PolarHBondContact O-N 3.08Å
830L95.6Very high92.1Very high112 Ų11252.5 Ų52.559%0.58628%0.275SS*.EExtended strand (participates in β ladder)trans-81130.7176.4-178.171.7000109.9H989 V991L830-H989 HydrophobicContact CD1-CB 4.25Å; L830-V991 HydrophobicContact CD1-CG2 4.05Å
831I96.3Very high92.3Very high11 Ų1146.3 Ų46.36%0.05624%0.243CC..EExtended strand (participates in β ladder)trans-118.6143.1175.456164.9000110.9P826 F833 L848 L950 H989 A990 V992 I1000P826-I831 HydrophobicContact CB-CG2 3.77Å; P826-I831 HydrophobicContact CG-CG2 3.69Å; I831-F833 HydrophobicContact CD1-CD1 3.96Å; I831-F833 HydrophobicContact CD1-CE1 4.2Å; I831-F833 HydrophobicContact CG1-CD1 4.11Å; I831-F833 HydrophobicContact CG1-CE1 4.34Å; I831-L848 HydrophobicContact CB-CD2 4.2Å; I831-L848 HydrophobicContact CD1-CD2 4.1Å; I831-L950 HydrophobicContact CD1-CD1 3.55Å; I831-H989 WeakPolarHBondContact O-CA 3.5Å; I831-H989 WeakPolarHBondContact O-CB 3.28Å; I831-A990 HydrophobicContact CG1-CB 4.34Å; I831-A990 VanDerWaalsContact CG1-O 3.29Å; I831-A990 WeakPolarHBondContact CG1-O 3.44Å; I831-A990 PolarHBondContact N-O 3.29Å; I831-A990 PolarHBondContact O-N 3.42Å; I831-A990 VanDerWaalsContact O-N 3.16Å; I831-V992 HydrophobicContact CD1-CG2 3.87Å; I831-V992 HydrophobicContact CG1-CG2 3.98Å; I831-V992 HydrophobicContact CG2-CG2 3.74Å; I831-I1000 HydrophobicContact CD1-CG2 4.39Å
832R95.5Very high92.5Very high119 Ų11946 Ų4645%0.44924%0.242SC..EExtended strand (participates in β ladder)trans-110.4133.9167.8-66.4-178.8-68.3-120.4-4.9110L848 S849 D850 F988 H989R832-L848 WeakPolarHBondContact O-CA 3.43Å; R832-S849 PolarHBondContact O-N 2.95Å; R832-D850 IonicContact CZ-OD1 2.72Å; R832-D850 VanDerWaalsContact CZ-OD1 3.25Å; R832-D850 IonicContact CZ-OD2 2.63Å; R832-D850 IonicContact NE-OD1 3.62Å; R832-D850 PolarHBondContact NE-OD1 3.26Å; R832-D850 IonicContact NE-OD2 3.49Å; R832-D850 PolarHBondContact NE-OD2 2.94Å; R832-D850 VanDerWaalsContact NE-OD2 3.17Å; R832-D850 IonicContact NH2-OD1 2.84Å; R832-D850 PolarHBondContact NH2-OD1 3.26Å; R832-D850 IonicContact NH2-OD2 3.94Å; R832-D850 PolarHBondContact NH2-OD2 2.82Å; R832-F988 WeakPolarHBondContact CA-O 3.28Å; R832-H989 HydrophobicContact CG-CB 4.4Å
833F94.6Very high92.8Very high0 Ų045 Ų450%024%0.237CC..EExtended strand (participates in β ladder)trans-148.9161.4-173.560.5-91.4000113.8I831 V835 V846 R847 L848 L950 F988 A990 I1005I831-F833 HydrophobicContact CD1-CD1 3.96Å; I831-F833 HydrophobicContact CD1-CE1 4.2Å; I831-F833 HydrophobicContact CG1-CD1 4.11Å; I831-F833 HydrophobicContact CG1-CE1 4.34Å; F833-V835 HydrophobicContact CD2-CG2 4.24Å; F833-V835 HydrophobicContact CE2-CG2 3.96Å; F833-V846 HydrophobicContact CB-CB 4.15Å; F833-V846 HydrophobicContact CB-CG2 4.45Å; F833-V846 HydrophobicContact CD2-CB 3.65Å; F833-V846 HydrophobicContact CD2-CG1 3.47Å; F833-V846 VanDerWaalsContact CD2-CG1 3.47Å; F833-V846 HydrophobicContact CD2-CG2 4.36Å; F833-V846 HydrophobicContact CE2-CB 4.32Å; F833-V846 HydrophobicContact CE2-CG1 3.64Å; F833-V846 HydrophobicContact CG-CB 4.09Å; F833-V846 HydrophobicContact CG-CG1 4.31Å; F833-V846 HydrophobicContact CG-CG2 4.42Å; F833-R847 CarbonylContact C-O 3.6Å; F833-R847 WeakPolarHBondContact CA-O 3.23Å; F833-R847 VanDerWaalsContact CB-O 3.32Å; F833-R847 WeakPolarHBondContact CB-O 3.25Å; F833-L848 HydrophobicContact CB-CD2 4.18Å; F833-L950 HydrophobicContact CD1-CD1 4.46Å; F833-L950 HydrophobicContact CE1-CD1 4.09Å; F833-L950 HydrophobicContact CZ-CD1 4.25Å; F833-L950 HydrophobicContact CZ-CD2 4.17Å; F833-F988 HydrophobicContact CD2-CB 4.06Å; F833-F988 HydrophobicContact CE1-CB 4.39Å; F833-F988 HydrophobicContact CE2-CB 3.63Å; F833-F988 HydrophobicContact CE2-CG 4.49Å; F833-F988 HydrophobicContact CZ-CB 3.83Å; F833-F988 PolarHBondContact N-O 3.31Å; F833-F988 PolarHBondContact O-N 3.08Å; F833-A990 HydrophobicContact CE1-CB 3.78Å; F833-A990 HydrophobicContact CZ-CB 4.35Å; F833-I1005 HydrophobicContact CE2-CG2 4.34Å; F833-I1005 HydrophobicContact CZ-CD1 4.21Å; F833-I1005 HydrophobicContact CZ-CG1 4.23Å; F833-I1005 HydrophobicContact CZ-CG2 3.73Å
834L92.5Very high93.1Very high18 Ų1838 Ų389%0.09420%0.199CC..EExtended strand (participates in β ladder)trans-105.1132.7169.7-176.860.9000108.6L836 V846 R847 P862 R986L834-L836 PolarHBondContact O-N 2.91Å; L834-V846 CarbonylContact O-C 3.52Å; L834-V846 WeakPolarHBondContact O-CA 3.33Å; L834-R847 PolarHBondContact N-O 3.43Å; L834-R847 PolarHBondContact O-N 2.78Å; L834-P862 HydrophobicContact CD2-CB 3.63Å; L834-P862 HydrophobicContact CD2-CG 3.52Å; L834-R986 WeakPolarHBondContact CD1-O 3.49Å
835V92.1Very high93.3Very high26 Ų2635.8 Ų35.816%0.15819%0.189CC..EExtended strand (participates in β ladder)trans-78.4118.2173.8178.70000109F833 L844 V846 F977 F988F833-V835 HydrophobicContact CD2-CG2 4.24Å; F833-V835 HydrophobicContact CE2-CG2 3.96Å; V835-L844 HydrophobicContact CG2-CD1 4.14Å; V835-V846 HydrophobicContact CG2-CG1 4.45Å; V835-F977 HydrophobicContact CB-CD1 4.46Å; V835-F977 HydrophobicContact CG1-CD2 4.49Å; V835-F977 HydrophobicContact CG2-CD1 3.93Å; V835-F977 HydrophobicContact CG2-CE1 3.76Å; V835-F977 HydrophobicContact CG2-CZ 4.31Å; V835-F988 HydrophobicContact CG2-CD2 3.8Å; V835-F988 HydrophobicContact CG2-CE2 4.14Å; V835-F988 HydrophobicContact CG2-CG 4.31Å
836L90.3Very high93.4Very high25 Ų2535.4 Ų35.413%0.13119%0.188CC..EExtended strand (participates in β ladder)trans-86.8-52.9176.4-57.6175000110.2L834 A845 R847 F861 P862 D920 T921 A947L834-L836 PolarHBondContact O-N 2.91Å; L836-A845 HydrophobicContact CB-CB 4.38Å; L836-A845 PolarHBondContact N-O 2.75Å; L836-R847 HydrophobicContact CD1-CB 3.99Å; L836-R847 HydrophobicContact CD2-CB 4.19Å; L836-R847 HydrophobicContact CG-CB 4.15Å; L836-F861 HydrophobicContact CD2-CZ 4.15Å; L836-P862 HydrophobicContact CD2-CG 4.5Å; L836-D920 WeakPolarHBondContact CD1-O 3.35Å; L836-T921 WeakPolarHBondContact CB-O 3.49Å; L836-A947 HydrophobicContact CD1-CB 3.9Å
837V90.6Very high93.4Very high39 Ų3934.7 Ų34.724%0.23618%0.182CC..EExtended strand (participates in β ladder)trans-136.2141.9-179.7-168.40000110Y839 L844 A845V837-Y839 HydrophobicContact CB-CD1 4.3Å; V837-Y839 HydrophobicContact CB-CE1 3.78Å; V837-Y839 HydrophobicContact CG1-CD1 3.66Å; V837-Y839 HydrophobicContact CG1-CE1 3.47Å; V837-Y839 VanDerWaalsContact CG1-CE1 3.47Å; V837-L844 CarbonylContact O-C 3.52Å; V837-L844 WeakPolarHBondContact O-CA 3.4Å; V837-A845 HydrophobicContact CB-CB 4.06Å; V837-A845 HydrophobicContact CG2-CB 4.38Å; V837-A845 PolarHBondContact N-O 2.93Å; V837-A845 PolarHBondContact O-N 2.76Å
838C92.3Very high93.6Very high10 Ų1029.7 Ų29.77%0.06816%0.16CC..EExtended strand (participates in β ladder)trans-110.4100.4173.4168.50000108.3L844 R969 R973 F977C838-L844 HydrophobicContact CB-CD2 3.84Å; C838-R969 WeakPolarHBondContact O-CD 3.3Å; C838-R969 WeakPolarHBondContact O-CG 3.37Å; C838-R973 HydrophobicContact CB-CB 4.5Å; C838-F977 HydrophobicContact CB-CD2 4.09Å; C838-F977 HydrophobicContact CB-CE2 4.01Å
839Y91.3Very high93.7Very high49 Ų4924.5 Ų24.519%0.19213%0.134CC..EExtended strand (participates in β ladder)trans-77.2-38.5-179.6-50.7-50.7000112.1V837 A843 A845 S922 T923 E924 R969V837-Y839 HydrophobicContact CB-CD1 4.3Å; V837-Y839 HydrophobicContact CB-CE1 3.78Å; V837-Y839 HydrophobicContact CG1-CD1 3.66Å; V837-Y839 HydrophobicContact CG1-CE1 3.47Å; V837-Y839 VanDerWaalsContact CG1-CE1 3.47Å; Y839-A843 WeakPolarHBondContact CB-O 3.42Å; Y839-A843 PolarHBondContact N-O 3.25Å; Y839-A845 HydrophobicContact CE2-CB 4.06Å; Y839-A845 WeakPolarHBondContact OH-CB 3.33Å; Y839-S922 PolarHBondContact OH-OG 3.02Å; Y839-T923 WeakPolarHBondContact CE2-OG1 3.4Å; Y839-T923 WeakPolarHBondContact OH-CA 3.33Å; Y839-T923 PolarHBondContact OH-N 3.25Å; Y839-T923 PolarHBondContact OH-OG1 2.52Å; Y839-E924 HydrophobicContact CD1-CG 4.16Å; Y839-E924 HydrophobicContact CE1-CG 3.47Å; Y839-E924 VanDerWaalsContact CE1-CG 3.47Å; Y839-E924 PolarHBondContact OH-N 3.24Å; Y839-R969 WeakPolarHBondContact O-CD 3.34Å; Y839-R969 WeakPolarHBondContact O-CG 3.38Å
840S92.6Very high93.5Very high16 Ų1627.3 Ų27.311%0.11214%0.142CC..EExtended strand (participates in β ladder)trans-155.3169.7176.577.50000110.2A842 A843S840-A842 PolarHBondContact O-N 3.06Å; S840-A842 PolarHBondContact OG-N 2.98Å; S840-A843 PolarHBondContact N-O 3.09Å; S840-A843 PolarHBondContact O-N 3.37Å; S840-A843 PolarHBondContact OG-N 3.25Å; S840-A843 VanDerWaalsContact OG-N 3.14Å
841P93.4Very high93.2Very high1 Ų126.1 Ų26.11%0.00613%0.133CC..THydrogen-bonded Turntrans-52.4-18.2169.9-30.238.9000115.8W964 A968 V972 V1017P841-W964 HydrophobicContact CB-CD2 4.18Å; P841-W964 HydrophobicContact CB-CE3 4.07Å; P841-W964 HydrophobicContact CB-CH2 4.02Å; P841-W964 HydrophobicContact CB-CZ2 4.17Å; P841-W964 HydrophobicContact CB-CZ3 3.98Å; P841-W964 HydrophobicContact CG-CD2 3.85Å; P841-W964 HydrophobicContact CG-CE3 3.6Å; P841-W964 HydrophobicContact CG-CG 4.36Å; P841-W964 HydrophobicContact CG-CH2 4.44Å; P841-W964 HydrophobicContact CG-CZ3 3.91Å; P841-A968 HydrophobicContact CG-CB 3.84Å; P841-V972 HydrophobicContact CB-CG2 4.09Å; P841-V972 HydrophobicContact CG-CG2 4.02Å; P841-V1017 HydrophobicContact CB-CG1 3.95Å; P841-V1017 HydrophobicContact CB-CG2 3.79Å
842A94.4Very high93.1Very high9 Ų926.8 Ų26.87%0.07414%0.135CC..THydrogen-bonded Turntrans-118.9-0.8-177.400000114.9S840 R951 I952 L955 W964S840-A842 PolarHBondContact O-N 3.06Å; S840-A842 PolarHBondContact OG-N 2.98Å; A842-R951 CarbonylContact O-C 3.57Å; A842-R951 VanDerWaalsContact O-CA 3.24Å; A842-R951 WeakPolarHBondContact O-CA 3.48Å; A842-I952 PolarHBondContact O-N 3.43Å; A842-L955 HydrophobicContact CB-CB 4.03Å; A842-L955 HydrophobicContact CB-CD2 3.93Å; A842-L955 HydrophobicContact CB-CG 3.92Å; A842-L955 VanDerWaalsContact CB-O 3.27Å; A842-L955 WeakPolarHBondContact CB-O 3.45Å; A842-W964 HydrophobicContact CB-CZ2 4.23Å
843A94.9Very high92.8Very high16 Ų1624.2 Ų24.213%0.13213%0.134CC..EExtended strand (participates in β ladder)trans-147129.6-175.700000112.3Y839 S840 R951Y839-A843 WeakPolarHBondContact CB-O 3.42Å; Y839-A843 PolarHBondContact N-O 3.25Å; S840-A843 PolarHBondContact N-O 3.09Å; S840-A843 PolarHBondContact O-N 3.37Å; S840-A843 PolarHBondContact OG-N 3.25Å; S840-A843 VanDerWaalsContact OG-N 3.14Å; A843-R951 HydrophobicContact CB-CG 4.04Å
844L95.5Very high92.6Very high2 Ų226.3 Ų26.31%0.0115%0.147CC..EExtended strand (participates in β ladder)trans-136.5150.8-171.5-50.3176.1000110.8V835 V837 C838 V846 L950 F977 I1005V835-L844 HydrophobicContact CG2-CD1 4.14Å; V837-L844 CarbonylContact O-C 3.52Å; V837-L844 WeakPolarHBondContact O-CA 3.4Å; C838-L844 HydrophobicContact CB-CD2 3.84Å; L844-V846 HydrophobicContact CB-CG1 3.89Å; L844-V846 HydrophobicContact CD1-CG1 4.33Å; L844-L950 HydrophobicContact CD1-CD2 4.28Å; L844-L950 PolarHBondContact N-O 2.99Å; L844-L950 PolarHBondContact O-N 2.93Å; L844-F977 HydrophobicContact CD1-CE1 4.29Å; L844-F977 HydrophobicContact CD1-CE2 4.4Å; L844-F977 HydrophobicContact CD1-CZ 3.65Å; L844-F977 HydrophobicContact CD2-CE2 3.64Å; L844-F977 HydrophobicContact CD2-CZ 3.73Å; L844-F977 HydrophobicContact CG-CZ 4.38Å; L844-I1005 HydrophobicContact CD1-CD1 3.42Å; L844-I1005 VanDerWaalsContact CD1-CD1 3.42Å; L844-I1005 HydrophobicContact CG-CD1 4.49Å
845A95.3Very high92.4Very high0 Ų027.8 Ų27.80%016%0.162CC..EExtended strand (participates in β ladder)trans-91.1127.9154.300000109.3L836 V837 Y839 T923 M948L836-A845 HydrophobicContact CB-CB 4.38Å; L836-A845 PolarHBondContact N-O 2.75Å; V837-A845 HydrophobicContact CB-CB 4.06Å; V837-A845 HydrophobicContact CG2-CB 4.38Å; V837-A845 PolarHBondContact N-O 2.93Å; V837-A845 PolarHBondContact O-N 2.76Å; Y839-A845 HydrophobicContact CE2-CB 4.06Å; Y839-A845 WeakPolarHBondContact OH-CB 3.33Å; A845-T923 HydrophobicContact CB-CG2 4.49Å; A845-M948 WeakPolarHBondContact CA-O 3.48Å
846V95.2Very high92.2Very high0 Ų029.6 Ų29.60%017%0.17CC..EExtended strand (participates in β ladder)trans-128.7157.5-178.2-55.90000111F833 L834 V835 L844 M948 L950F833-V846 HydrophobicContact CB-CB 4.15Å; F833-V846 HydrophobicContact CB-CG2 4.45Å; F833-V846 HydrophobicContact CD2-CB 3.65Å; F833-V846 HydrophobicContact CD2-CG1 3.47Å; F833-V846 VanDerWaalsContact CD2-CG1 3.47Å; F833-V846 HydrophobicContact CD2-CG2 4.36Å; F833-V846 HydrophobicContact CE2-CB 4.32Å; F833-V846 HydrophobicContact CE2-CG1 3.64Å; F833-V846 HydrophobicContact CG-CB 4.09Å; F833-V846 HydrophobicContact CG-CG1 4.31Å; F833-V846 HydrophobicContact CG-CG2 4.42Å; L834-V846 CarbonylContact O-C 3.52Å; L834-V846 WeakPolarHBondContact O-CA 3.33Å; V835-V846 HydrophobicContact CG2-CG1 4.45Å; L844-V846 HydrophobicContact CB-CG1 3.89Å; L844-V846 HydrophobicContact CD1-CG1 4.33Å; V846-M948 HydrophobicContact CG2-CB 4.23Å; V846-M948 PolarHBondContact N-O 2.89Å; V846-M948 PolarHBondContact O-N 2.85Å; V846-L950 HydrophobicContact CB-CB 4.5Å; V846-L950 HydrophobicContact CG1-CB 3.99Å; V846-L950 HydrophobicContact CG1-CD2 4.43Å; V846-L950 HydrophobicContact CG2-CB 3.65Å; V846-L950 HydrophobicContact CG2-CD1 4.08Å; V846-L950 HydrophobicContact CG2-CG 4.44Å
847R94.6Very high91.9Very high5 Ų532.1 Ų32.12%0.01918%0.178CC..EExtended strand (participates in β ladder)trans-123.6126.5169.2-179.4170.572.2173.84.4110.4F833 L834 L836 S849 F852 T854 M863 S864 E946F833-R847 CarbonylContact C-O 3.6Å; F833-R847 WeakPolarHBondContact CA-O 3.23Å; F833-R847 VanDerWaalsContact CB-O 3.32Å; F833-R847 WeakPolarHBondContact CB-O 3.25Å; L834-R847 PolarHBondContact N-O 3.43Å; L834-R847 PolarHBondContact O-N 2.78Å; L836-R847 HydrophobicContact CD1-CB 3.99Å; L836-R847 HydrophobicContact CD2-CB 4.19Å; L836-R847 HydrophobicContact CG-CB 4.15Å; R847-S849 PolarHBondContact O-N 3.35Å; R847-F852 HydrophobicContact CG-CB 3.65Å; R847-F852 HydrophobicContact CG-CD2 4.33Å; R847-F852 HydrophobicContact CG-CG 4.4Å; R847-F852 PolarHBondContact NE-O 3.18Å; R847-T854 PolarHBondContact NH2-OG1 3.02Å; R847-M863 PolarHBondContact NH2-O 3.28Å; R847-S864 VanDerWaalsContact NH1-CB 3.29Å; R847-E946 WeakPolarHBondContact CD-OE2 3.36Å; R847-E946 HydrophobicContact CG-CB 4.22Å; R847-E946 IonicContact CZ-OE2 2.77Å; R847-E946 IonicContact NE-OE2 2.73Å; R847-E946 IonicContact NH1-OE2 3.64Å; R847-E946 PolarHBondContact NH1-OE2 3.22Å
848L94.8Very high91.5Very high6 Ų633.3 Ų33.33%0.03118%0.18CC..EExtended strand (participates in β ladder)trans-67.5116.4179.8-57.3-175.7000110P826 I831 R832 F833 D850 Q851 F852 M948P826-L848 HydrophobicContact CG-CD1 3.86Å; I831-L848 HydrophobicContact CB-CD2 4.2Å; I831-L848 HydrophobicContact CD1-CD2 4.1Å; R832-L848 WeakPolarHBondContact O-CA 3.43Å; F833-L848 HydrophobicContact CB-CD2 4.18Å; L848-D850 VanDerWaalsContact C-N 3.28Å; L848-D850 PolarHBondContact O-N 3.26Å; L848-Q851 HydrophobicContact CB-CB 4.28Å; L848-Q851 HydrophobicContact CB-CG 4.41Å; L848-Q851 HydrophobicContact CD1-CG 4.45Å; L848-Q851 PolarHBondContact O-N 3.43Å; L848-F852 HydrophobicContact CB-CD2 4.48Å; L848-F852 PolarHBondContact O-N 3.16Å; L848-M948 HydrophobicContact CD1-CE 3.77Å; L848-M948 HydrophobicContact CD1-SD 3.57Å; L848-M948 VanDerWaalsContact CD1-SD 3.57Å; L848-M948 HydrophobicContact CD2-SD 4.33Å; L848-M948 HydrophobicContact CG-CE 4.18Å; L848-M948 HydrophobicContact CG-SD 3.69Å
849S91.5Very high90.9Very high18 Ų1838.1 Ų38.113%0.12620%0.204CC..THydrogen-bonded Turntrans-71.7-24.5-173.6-63.60000113.1R832 R847R832-S849 PolarHBondContact O-N 2.95Å; R847-S849 PolarHBondContact O-N 3.35Å
850D90.1Very high90.4Very high92 Ų9242.1 Ų42.149%0.49223%0.229SC..THydrogen-bonded Turntrans-80.6-21.9179-59.5-43.1000113.1R832 L848R832-D850 IonicContact CZ-OD1 2.72Å; R832-D850 VanDerWaalsContact CZ-OD1 3.25Å; R832-D850 IonicContact CZ-OD2 2.63Å; R832-D850 IonicContact NE-OD1 3.62Å; R832-D850 PolarHBondContact NE-OD1 3.26Å; R832-D850 IonicContact NE-OD2 3.49Å; R832-D850 PolarHBondContact NE-OD2 2.94Å; R832-D850 VanDerWaalsContact NE-OD2 3.17Å; R832-D850 IonicContact NH2-OD1 2.84Å; R832-D850 PolarHBondContact NH2-OD1 3.26Å; R832-D850 IonicContact NH2-OD2 3.94Å; R832-D850 PolarHBondContact NH2-OD2 2.82Å; L848-D850 VanDerWaalsContact C-N 3.28Å; L848-D850 PolarHBondContact O-N 3.26Å
851Q90.6Very high89.8Confident86 Ų8643.4 Ų43.440%0.40223%0.233SC..THydrogen-bonded Turntrans-102-39.8177.3-64.8-176.5300112.1H824 L848 P853H824-Q851 PolarHBondContact O-NE2 3.26Å; H824-Q851 PolarHBondContact O-OE1 2.91Å; L848-Q851 HydrophobicContact CB-CB 4.28Å; L848-Q851 HydrophobicContact CB-CG 4.41Å; L848-Q851 HydrophobicContact CD1-CG 4.45Å; L848-Q851 PolarHBondContact O-N 3.43Å; Q851-P853 WeakPolarHBondContact O-CD 3.43Å
852F92.3Very high89.4Confident25 Ų2544 Ų4411%0.1124%0.237CC..SBendtrans-127.975.2-173.5-50-68.2000109.4R847 L848 P944 E946 M948R847-F852 HydrophobicContact CG-CB 3.65Å; R847-F852 HydrophobicContact CG-CD2 4.33Å; R847-F852 HydrophobicContact CG-CG 4.4Å; R847-F852 PolarHBondContact NE-O 3.18Å; L848-F852 HydrophobicContact CB-CD2 4.48Å; L848-F852 PolarHBondContact O-N 3.16Å; F852-P944 HydrophobicContact CE1-CG 3.93Å; F852-P944 HydrophobicContact CZ-CG 4.03Å; F852-E946 HydrophobicContact CB-CG 4.24Å; F852-E946 HydrophobicContact CD1-CG 3.81Å; F852-E946 HydrophobicContact CD2-CB 4.42Å; F852-E946 HydrophobicContact CD2-CG 4.44Å; F852-E946 HydrophobicContact CE1-CG 4.3Å; F852-E946 HydrophobicContact CG-CB 4.26Å; F852-E946 HydrophobicContact CG-CG 3.89Å; F852-M948 HydrophobicContact CE2-CE 3.98Å
853P90.9Very high89.1Confident65 Ų6544.4 Ų44.442%0.42224%0.237SC..  trans-62.2160.3-179.226.5-34.8000111.8Q851 A855 S864Q851-P853 WeakPolarHBondContact O-CD 3.43Å; P853-A855 PolarHBondContact O-N 2.88Å; P853-S864 WeakPolarHBondContact O-CA 3.41Å
854T89.4Confident89Confident45 Ų4543.8 Ų43.828%0.27623%0.232SC..  trans-86.4110.4175.5-56.20000109.4R847 P862 M863R847-T854 PolarHBondContact NH2-OG1 3.02Å; T854-P862 HydrophobicContact CG2-CB 3.61Å; T854-M863 CarbonylContact C-O 3.52Å; T854-M863 WeakPolarHBondContact CA-O 3.45Å; T854-M863 WeakPolarHBondContact CG2-O 3.27Å
855A88.3Confident88.9Confident48 Ų4848.1 Ų48.140%0.39726%0.255SS..  trans-78.8-52.1177.800000111.4P853 M863 D865P853-A855 PolarHBondContact O-N 2.88Å; A855-M863 PolarHBondContact N-O 3.18Å; A855-D865 VanDerWaalsContact CB-OD1 3.3Å; A855-D865 WeakPolarHBondContact CB-OD1 3.49Å
856I87.8Confident88.8Confident64 Ų6448.7 Ų48.733%0.32826%0.258SS..EExtended strand (participates in β ladder)trans-138.7162.9-174.8-164.1164.5000111.8M863 E868I856-M863 HydrophobicContact CG2-CB 4.05Å; I856-M863 HydrophobicContact CG2-CE 3.69Å; I856-M863 PolarHBondContact O-N 3.34Å; I856-E868 WeakPolarHBondContact CB-OE2 3.22Å; I856-E868 HydrophobicContact CG2-CB 4.02Å; I856-E868 HydrophobicContact CG2-CG 4.03Å; I856-E868 WeakPolarHBondContact CG2-OE2 3.38Å
857R83.6Confident88.7Confident79 Ų7949.3 Ų49.330%0.29826%0.264SS..EExtended strand (participates in β ladder)trans-114.3116.9166.7-74.6-178.7171.1-83-10.1110.8N860 F861 R984 N985R857-N860 PolarHBondContact NH1-O 2.9Å; R857-F861 CarbonylContact C-O 3.58Å; R857-F861 VanDerWaalsContact CA-O 3.25Å; R857-F861 WeakPolarHBondContact CA-O 3.38Å; R857-R984 PolarHBondContact NH2-O 2.94Å; R857-N985 PolarHBondContact NE-OD1 3.48Å; R857-N985 VanDerWaalsContact NE-OD1 3.07Å; R857-N985 PolarHBondContact NH2-OD1 2.89Å
858F82.6Confident88.6Confident64 Ų6450.6 Ų50.628%0.28127%0.27SS..EExtended strand (participates in β ladder)trans-111.9125.1177.2179.6-93.8000109.3N860 F861 M863 Q871 R899F858-N860 PolarHBondContact O-N 3.28Å; F858-F861 PolarHBondContact N-O 3.16Å; F858-F861 WeakPolarHBondContact O-CA 3.11Å; F858-F861 WeakPolarHBondContact O-CB 3.27Å; F858-F861 PolarHBondContact O-N 3.19Å; F858-M863 HydrophobicContact CB-CE 3.45Å; F858-M863 VanDerWaalsContact CB-CE 3.45Å; F858-M863 HydrophobicContact CB-CG 4.48Å; F858-M863 HydrophobicContact CB-SD 3.85Å; F858-M863 HydrophobicContact CG-CE 4.12Å; F858-M863 HydrophobicContact CG-SD 4.45Å; F858-Q871 HydrophobicContact CE2-CG 4.48Å; F858-Q871 HydrophobicContact CZ-CG 4.42Å; F858-R899 HydrophobicContact CD1-CG 3.64Å; F858-R899 HydrophobicContact CE1-CG 3.67Å
859L81.2Confident88.6Confident111 Ų11156.2 Ų56.258%0.58129%0.291SS*.THydrogen-bonded Turntrans49.541.2-172.2-56.2177.2000112.7F861 N898L859-F861 PolarHBondContact O-N 2.86Å; L859-F861 VanDerWaalsContact O-N 3.15Å; L859-N898 HydrophobicContact CD1-CB 3.92Å
860N78.8Confident88.7Confident133 Ų13355.5 Ų55.571%0.71129%0.286SS*.THydrogen-bonded Turntrans65.3-6.3-171.1-60.7-64.7000116.8R857 F858R857-N860 PolarHBondContact NH1-O 2.9Å; F858-N860 PolarHBondContact O-N 3.28Å
861F81.2Confident88.9Confident43 Ų4351.5 Ų51.519%0.18927%0.265CS..EExtended strand (participates in β ladder)trans-78.7132.5176.8-166.4-85.6000111.7L836 R857 F858 L859 M863 T921L836-F861 HydrophobicContact CD2-CZ 4.15Å; R857-F861 CarbonylContact C-O 3.58Å; R857-F861 VanDerWaalsContact CA-O 3.25Å; R857-F861 WeakPolarHBondContact CA-O 3.38Å; F858-F861 PolarHBondContact N-O 3.16Å; F858-F861 WeakPolarHBondContact O-CA 3.11Å; F858-F861 WeakPolarHBondContact O-CB 3.27Å; F858-F861 PolarHBondContact O-N 3.19Å; L859-F861 PolarHBondContact O-N 2.86Å; L859-F861 VanDerWaalsContact O-N 3.15Å; F861-M863 HydrophobicContact CD1-CG 4.17Å; F861-M863 PolarHBondContact O-N 3.43Å; F861-T921 HydrophobicContact CD1-CG2 4.49Å; F861-T921 HydrophobicContact CE1-CG2 3.57Å; F861-T921 HydrophobicContact CZ-CG2 3.78Å
862P85.3Confident89.1Confident14 Ų1454.8 Ų54.89%0.09127%0.273CS..EExtended strand (participates in β ladder)trans-75.9119178.130.9-32.6000111.5L834 L836 T854L834-P862 HydrophobicContact CD2-CB 3.63Å; L834-P862 HydrophobicContact CD2-CG 3.52Å; L836-P862 HydrophobicContact CD2-CG 4.5Å; T854-P862 HydrophobicContact CG2-CB 3.61Å
863M88.4Confident89.2Confident16 Ų1655.7 Ų55.78%0.07928%0.278CS..EExtended strand (participates in β ladder)trans-109.7159.9175.9-56.8-165.4-47.700110.7R847 T854 A855 I856 F858 F861 E868 Q871R847-M863 PolarHBondContact NH2-O 3.28Å; T854-M863 CarbonylContact C-O 3.52Å; T854-M863 WeakPolarHBondContact CA-O 3.45Å; T854-M863 WeakPolarHBondContact CG2-O 3.27Å; A855-M863 PolarHBondContact N-O 3.18Å; I856-M863 HydrophobicContact CG2-CB 4.05Å; I856-M863 HydrophobicContact CG2-CE 3.69Å; I856-M863 PolarHBondContact O-N 3.34Å; F858-M863 HydrophobicContact CB-CE 3.45Å; F858-M863 VanDerWaalsContact CB-CE 3.45Å; F858-M863 HydrophobicContact CB-CG 4.48Å; F858-M863 HydrophobicContact CB-SD 3.85Å; F858-M863 HydrophobicContact CG-CE 4.12Å; F858-M863 HydrophobicContact CG-SD 4.45Å; F861-M863 HydrophobicContact CD1-CG 4.17Å; F861-M863 PolarHBondContact O-N 3.43Å; M863-E868 HydrophobicContact CE-CB 4.48Å; M863-Q871 HydrophobicContact CE-CB 4.24Å
864S92.4Very high89.4Confident3 Ų352.6 Ų52.62%0.02126%0.257CS..  trans-95.5179170.855.20000110R847 P853 L866 G867 E868 E946R847-S864 VanDerWaalsContact NH1-CB 3.29Å; P853-S864 WeakPolarHBondContact O-CA 3.41Å; S864-L866 PolarHBondContact O-N 3.49Å; S864-L866 PolarHBondContact OG-N 3.31Å; S864-G867 PolarHBondContact O-N 3.38Å; S864-G867 PolarHBondContact OG-N 3.25Å; S864-E868 VanDerWaalsContact O-CB 3.28Å; S864-E868 WeakPolarHBondContact O-CB 3.29Å; S864-E868 PolarHBondContact O-N 2.95Å; S864-E946 WeakPolarHBondContact CB-OE1 3.49Å; S864-E946 WeakPolarHBondContact CB-OE2 3.5Å; S864-E946 PolarHBondContact OG-OE1 3.4Å; S864-E946 PolarHBondContact OG-OE2 3.33Å
865D92.7Very high89.7Confident94 Ų9454.2 Ų54.250%0.50326%0.262SS..Hα-helixtrans-57.2-30.7167.5-54.2-61.7000112.5A855 R869A855-D865 VanDerWaalsContact CB-OD1 3.3Å; A855-D865 WeakPolarHBondContact CB-OD1 3.49Å; D865-R869 WeakPolarHBondContact O-CB 3.32Å; D865-R869 WeakPolarHBondContact O-CG 3.36Å; D865-R869 PolarHBondContact O-N 2.88Å; D865-R869 VanDerWaalsContact O-N 3.12Å; D865-R869 PolarHBondContact O-NE 3.18Å
866L93.2Very high90Very high11 Ų1157 Ų576%0.05827%0.27CS..Hα-helixtrans-73.7-50175.1179.361.3000111.3S864 E868 R869 V870 F940 E946S864-L866 PolarHBondContact O-N 3.49Å; S864-L866 PolarHBondContact OG-N 3.31Å; L866-E868 VanDerWaalsContact C-N 3.27Å; L866-E868 PolarHBondContact O-N 3.48Å; L866-R869 PolarHBondContact O-N 3.12Å; L866-R869 VanDerWaalsContact O-N 3.15Å; L866-V870 HydrophobicContact CD1-CG2 4.18Å; L866-V870 HydrophobicContact CG-CG2 4.47Å; L866-V870 WeakPolarHBondContact O-CG2 3.46Å; L866-V870 PolarHBondContact O-N 3.5Å; L866-F940 HydrophobicContact CD1-CD1 3.92Å; L866-E946 WeakPolarHBondContact CB-OE1 3.42Å
867G92.3Very high90.2Very high13 Ų1360.9 Ų60.913%0.13429%0.287CS..Hα-helixtrans-59.5-37.8176.800000112.6S864 Q871S864-G867 PolarHBondContact O-N 3.38Å; S864-G867 PolarHBondContact OG-N 3.25Å; G867-Q871 WeakPolarHBondContact O-CB 3.44Å; G867-Q871 PolarHBondContact O-N 3.23Å
868E93.2Very high90.6Very high32 Ų3261.1 Ų61.115%0.1531%0.305CS..Hα-helixtrans-64.9-43.8173.8-175.6174.4152.700112.6I856 M863 S864 L866 R872I856-E868 WeakPolarHBondContact CB-OE2 3.22Å; I856-E868 HydrophobicContact CG2-CB 4.02Å; I856-E868 HydrophobicContact CG2-CG 4.03Å; I856-E868 WeakPolarHBondContact CG2-OE2 3.38Å; M863-E868 HydrophobicContact CE-CB 4.48Å; S864-E868 VanDerWaalsContact O-CB 3.28Å; S864-E868 WeakPolarHBondContact O-CB 3.29Å; S864-E868 PolarHBondContact O-N 2.95Å; L866-E868 VanDerWaalsContact C-N 3.27Å; L866-E868 PolarHBondContact O-N 3.48Å; E868-R872 WeakPolarHBondContact O-CB 3.24Å; E868-R872 WeakPolarHBondContact O-CG 3.47Å; E868-R872 PolarHBondContact O-N 3.24Å; E868-R872 IonicContact OE1-CZ 3.16Å; E868-R872 IonicContact OE1-NH1 3.51Å; E868-R872 PolarHBondContact OE1-NH1 3.42Å; E868-R872 IonicContact OE1-NH2 3.74Å; E868-R872 PolarHBondContact OE1-NH2 3.22Å
869R94.4Very high91.1Very high125 Ų12560 Ų6047%0.47230%0.302SS..Hα-helixtrans-66.2-42.3175.6-74.7-178.1-57.8148.64.3112.4D865 L866 H873 F940D865-R869 WeakPolarHBondContact O-CB 3.32Å; D865-R869 WeakPolarHBondContact O-CG 3.36Å; D865-R869 PolarHBondContact O-N 2.88Å; D865-R869 VanDerWaalsContact O-N 3.12Å; D865-R869 PolarHBondContact O-NE 3.18Å; L866-R869 PolarHBondContact O-N 3.12Å; L866-R869 VanDerWaalsContact O-N 3.15Å; R869-H873 VanDerWaalsContact O-CB 3.27Å; R869-H873 WeakPolarHBondContact O-CB 3.49Å; R869-H873 PolarHBondContact O-N 3.09Å; R869-F940 HydrophobicContact CB-CE1 3.95Å; R869-F940 HydrophobicContact CB-CZ 4.36Å
870V94.6Very high91.7Very high2 Ų257.3 Ų57.31%0.01228%0.284CS..Hα-helixtrans-62.1-49.1175.7172.70000110.1L866 R872 H873 Y874 R902 F940L866-V870 HydrophobicContact CD1-CG2 4.18Å; L866-V870 HydrophobicContact CG-CG2 4.47Å; L866-V870 WeakPolarHBondContact O-CG2 3.46Å; L866-V870 PolarHBondContact O-N 3.5Å; V870-R872 PolarHBondContact O-N 3.49Å; V870-H873 PolarHBondContact O-N 2.83Å; V870-Y874 HydrophobicContact CG1-CD2 4.03Å; V870-Y874 HydrophobicContact CG1-CE2 4.36Å; V870-Y874 WeakPolarHBondContact O-CD2 3.47Å; V870-Y874 PolarHBondContact O-N 3.49Å; V870-Y874 VanDerWaalsContact O-N 3.08Å; V870-R902 HydrophobicContact CG1-CG 4.4Å; V870-R902 HydrophobicContact CG2-CG 4.1Å; V870-F940 HydrophobicContact CG2-CB 4.39Å; V870-F940 HydrophobicContact CG2-CD1 3.8Å; V870-F940 HydrophobicContact CG2-CD2 3.96Å; V870-F940 HydrophobicContact CG2-CE1 4Å; V870-F940 HydrophobicContact CG2-CE2 4.15Å; V870-F940 HydrophobicContact CG2-CG 3.79Å; V870-F940 HydrophobicContact CG2-CZ 4.17Å
871Q94.6Very high92.4Very high9 Ų956.6 Ų56.64%0.04228%0.277CS..Hα-helixtrans-56.4-53.3176.6-174.271.633.700111.3F858 M863 G867 H873 Y874 E875 N898F858-Q871 HydrophobicContact CE2-CG 4.48Å; F858-Q871 HydrophobicContact CZ-CG 4.42Å; M863-Q871 HydrophobicContact CE-CB 4.24Å; G867-Q871 WeakPolarHBondContact O-CB 3.44Å; G867-Q871 PolarHBondContact O-N 3.23Å; Q871-H873 VanDerWaalsContact C-N 3.29Å; Q871-H873 PolarHBondContact O-N 3.37Å; Q871-Y874 PolarHBondContact O-N 2.95Å; Q871-E875 PolarHBondContact NE2-OE2 2.68Å; Q871-E875 WeakPolarHBondContact O-CB 3.39Å; Q871-E875 PolarHBondContact O-N 3.03Å; Q871-N898 PolarHBondContact NE2-O 3.15Å
872R93.6Very high92.9Very high154 Ų15459.9 Ų59.958%0.58129%0.294SS*.Hα-helixtrans-59.9-37.9-179.7-77.9-171.5179.812512.2112.9E868 V870E868-R872 WeakPolarHBondContact O-CB 3.24Å; E868-R872 WeakPolarHBondContact O-CG 3.47Å; E868-R872 PolarHBondContact O-N 3.24Å; E868-R872 IonicContact OE1-CZ 3.16Å; E868-R872 IonicContact OE1-NH1 3.51Å; E868-R872 PolarHBondContact OE1-NH1 3.42Å; E868-R872 IonicContact OE1-NH2 3.74Å; E868-R872 PolarHBondContact OE1-NH2 3.22Å; V870-R872 PolarHBondContact O-N 3.49Å
873H95.3Very high93.1Very high44 Ų4459.9 Ų59.920%0.20429%0.293CS..Hα-helixtrans-67.7-50.5-178.8-175.686.9000111.8R869 V870 Q871 L876 N879 F940R869-H873 VanDerWaalsContact O-CB 3.27Å; R869-H873 WeakPolarHBondContact O-CB 3.49Å; R869-H873 PolarHBondContact O-N 3.09Å; V870-H873 PolarHBondContact O-N 2.83Å; Q871-H873 VanDerWaalsContact C-N 3.29Å; Q871-H873 PolarHBondContact O-N 3.37Å; H873-L876 PolarHBondContact O-N 3.33Å; H873-N879 WeakPolarHBondContact O-CB 3.39Å; H873-N879 PolarHBondContact O-ND2 2.7Å; H873-F940 HydrophobicContact CB-CE2 3.76Å; H873-F940 HydrophobicContact CB-CZ 3.77Å; H873-F940 AromaticContact CD2-CE2 3.84Å; H873-F940 AromaticContact CG-CE2 3.74Å
874Y95.5Very high92.9Very high0 Ų064.6 Ų64.60%032%0.324CS..Hα-helixtrans-84.1-9.8-176.2-70.6-83.3000114.4V870 Q871 L876 R880 V893 Y900 S935 C936 V937 F940V870-Y874 HydrophobicContact CG1-CD2 4.03Å; V870-Y874 HydrophobicContact CG1-CE2 4.36Å; V870-Y874 WeakPolarHBondContact O-CD2 3.47Å; V870-Y874 PolarHBondContact O-N 3.49Å; V870-Y874 VanDerWaalsContact O-N 3.08Å; Q871-Y874 PolarHBondContact O-N 2.95Å; Y874-L876 PolarHBondContact O-N 3.1Å; Y874-R880 WeakPolarHBondContact O-CG 3.29Å; Y874-R880 PolarHBondContact O-NE 2.9Å; Y874-V893 HydrophobicContact CD1-CG1 4.39Å; Y874-V893 HydrophobicContact CD2-CG1 3.98Å; Y874-V893 HydrophobicContact CD2-CG2 4.42Å; Y874-V893 HydrophobicContact CE1-CB 4.39Å; Y874-V893 HydrophobicContact CE1-CG1 4.49Å; Y874-V893 HydrophobicContact CE2-CB 4.24Å; Y874-V893 HydrophobicContact CE2-CG1 4.1Å; Y874-V893 HydrophobicContact CE2-CG2 3.73Å; Y874-V893 HydrophobicContact CG-CG1 4.14Å; Y874-Y900 VanDerWaalsContact CB-CD1 3.46Å; Y874-Y900 VanDerWaalsContact CB-CG 3.43Å; Y874-Y900 HydrophobicContact CG-CD1 4.27Å; Y874-Y900 HydrophobicContact CG-CG 4.43Å; Y874-Y900 WeakPolarHBondContact O-CE2 3.42Å; Y874-Y900 VanDerWaalsContact O-CZ 3.29Å; Y874-Y900 PolarHBondContact O-OH 2.75Å; Y874-S935 PolarHBondContact OH-O 2.72Å; Y874-C936 WeakPolarHBondContact OH-CA 3.48Å; Y874-V937 PolarHBondContact OH-N 2.95Å; Y874-F940 HydrophobicContact CD2-CE2 4.44Å; Y874-F940 AromaticContact CE2-CD2 3.89Å; Y874-F940 HydrophobicContact CE2-CD2 3.89Å; Y874-F940 AromaticContact CE2-CE2 3.84Å; Y874-F940 HydrophobicContact CE2-CE2 3.84Å
875E94.1Very high92.7Very high79 Ų7969.9 Ų69.937%0.36935%0.352SS..Hα-helixtrans-64.1-28.2167.1-152.967.1-11400111.6Q871 E877 R880 K895Q871-E875 PolarHBondContact NE2-OE2 2.68Å; Q871-E875 WeakPolarHBondContact O-CB 3.39Å; Q871-E875 PolarHBondContact O-N 3.03Å; E875-E877 PolarHBondContact O-N 3.03Å; E875-R880 PolarHBondContact O-NH2 2.69Å; E875-R880 IonicContact OE1-NH2 3.74Å; E875-K895 IonicContact OE1-NZ 3.94Å; E875-K895 PolarHBondContact OE1-NZ 2.69Å
876L95Very high92.5Very high108 Ų10866 Ų6657%0.56533%0.332SS*.SBendtrans-75.2120.9172.1-60.5175000110.6H873 Y874 A878 N879H873-L876 PolarHBondContact O-N 3.33Å; Y874-L876 PolarHBondContact O-N 3.1Å; L876-A878 VanDerWaalsContact C-N 3.27Å; L876-A878 PolarHBondContact O-N 3.02Å; L876-N879 PolarHBondContact O-N 3.36Å
877E91.8Very high92.3Very high145 Ų14568.8 Ų68.868%0.67835%0.35SS*.G310 helixtrans-61.8-35.2-174-47.3-145.6122.600112.9E875 N879 R880E875-E877 PolarHBondContact O-N 3.03Å; E877-N879 PolarHBondContact O-N 2.68Å; E877-N879 VanDerWaalsContact O-N 3.07Å; E877-R880 WeakPolarHBondContact O-CB 3.28Å; E877-R880 PolarHBondContact O-N 3.05Å; E877-R880 IonicContact OE1-CZ 3.77Å; E877-R880 IonicContact OE1-NH1 2.92Å; E877-R880 PolarHBondContact OE1-NH1 2.92Å; E877-R880 IonicContact OE1-NH2 2.62Å
878A93.6Very high92.1Very high84 Ų8471.2 Ų71.269%0.69436%0.363SS*.G310 helixtrans-60-16.9176.100000114.3L876 H881L876-A878 VanDerWaalsContact C-N 3.27Å; L876-A878 PolarHBondContact O-N 3.02Å; A878-H881 PolarHBondContact O-CE1 3.38Å
879N92.8Very high91.7Very high40 Ų4071.9 Ų71.921%0.21438%0.378CS..G310 helixtrans-95.8-9.9176.9-65.5-26.7000113H873 L876 E877 H881H873-N879 WeakPolarHBondContact O-CB 3.39Å; H873-N879 PolarHBondContact O-ND2 2.7Å; L876-N879 PolarHBondContact O-N 3.36Å; E877-N879 PolarHBondContact O-N 2.68Å; E877-N879 VanDerWaalsContact O-N 3.07Å; N879-H881 PolarHBondContact O-N 3.31Å; N879-H881 PolarHBondContact O-ND1 2.91Å; N879-H881 VanDerWaalsContact O-ND1 3.13Å
880R93.3Very high91.5Very high55 Ų5568.6 Ų68.621%0.20837%0.369CS..  trans-81.654.8-173.7-59.1-179.6-166.91585.4112.7Y874 E875 E877 M882 Y900 Y934Y874-R880 WeakPolarHBondContact O-CG 3.29Å; Y874-R880 PolarHBondContact O-NE 2.9Å; E875-R880 PolarHBondContact O-NH2 2.69Å; E875-R880 IonicContact OE1-NH2 3.74Å; E877-R880 WeakPolarHBondContact O-CB 3.28Å; E877-R880 PolarHBondContact O-N 3.05Å; E877-R880 IonicContact OE1-CZ 3.77Å; E877-R880 IonicContact OE1-NH1 2.92Å; E877-R880 PolarHBondContact OE1-NH1 2.92Å; E877-R880 IonicContact OE1-NH2 2.62Å; R880-M882 PolarHBondContact O-N 3.09Å; R880-Y900 VanDerWaalsContact CZ-OH 3.23Å; R880-Y900 PolarHBondContact NE-OH 2.89Å; R880-Y934 HydrophobicContact CB-CD1 4Å; R880-Y934 HydrophobicContact CB-CE1 3.78Å
881H93.1Very high91.5Very high118 Ų11871 Ų7155%0.54638%0.38SS..PPolyproline II helixtrans-67.8117.7175.9-58.190.9000110A878 N879 Y934 S935A878-H881 PolarHBondContact O-CE1 3.38Å; N879-H881 PolarHBondContact O-N 3.31Å; N879-H881 PolarHBondContact O-ND1 2.91Å; N879-H881 VanDerWaalsContact O-ND1 3.13Å; H881-Y934 CarbonylContact O-C 3.56Å; H881-Y934 VanDerWaalsContact O-CA 3.24Å; H881-Y934 WeakPolarHBondContact O-CA 3.49Å; H881-S935 PolarHBondContact O-N 2.67Å
882M92.2Very high91.5Very high112 Ų11270.5 Ų70.555%0.55238%0.378SS*.BIsolated β-bridgetrans-58.7141.9173.7-81.1176.945.900111R880 P884R880-M882 PolarHBondContact O-N 3.09Å; M882-P884 WeakPolarHBondContact O-CD 3.23Å
883H90.1Very high91.6Very high14 Ų1463.2 Ų63.27%0.06535%0.35CS..PPolyproline II helixtrans-69.8119.5178.1-162.2-63.9000109.8N885 P886 E890 L933H883-N885 PolarHBondContact CE1-O 3.44Å; H883-N885 PolarHBondContact ND1-N 2.73Å; H883-P886 HydrophobicContact CB-CG 4.47Å; H883-E890 IonicContact CE1-OE1 2.54Å; H883-E890 IonicContact CE1-OE2 2.7Å; H883-E890 PolarHBondContact CE1-OE2 3.23Å; H883-E890 VanDerWaalsContact NE2-CG 3.26Å; H883-E890 WeakPolarHBondContact NE2-CG 3.24Å; H883-E890 IonicContact NE2-OE1 2.56Å; H883-E890 PolarHBondContact NE2-OE1 2.95Å; H883-E890 IonicContact NE2-OE2 3.69Å; H883-E890 PolarHBondContact NE2-OE2 3.12Å; H883-L933 HydrophobicContact CB-CB 4.14Å; H883-L933 HydrophobicContact CB-CD2 3.89Å; H883-L933 HydrophobicContact CB-CG 4.08Å; H883-L933 PolarHBondContact N-O 3.3Å
884P84.3Confident91.6Very high115 Ų11561.1 Ų61.175%0.74734%0.341SS*.SBendtrans-74.7-31.6-167.528.3-35.3000113.5M882M882-P884 WeakPolarHBondContact O-CD 3.23Å
885N87.6Confident91.5Very high113 Ų11364.7 Ų64.760%0.60436%0.356SS*.SBendtrans-156.790178.9-176.930.1000109.3H883 V887H883-N885 PolarHBondContact CE1-O 3.44Å; H883-N885 PolarHBondContact ND1-N 2.73Å; N885-V887 PolarHBondContact O-N 2.6Å
886P88.6Confident91.3Very high12 Ų1261.9 Ų61.98%0.07834%0.344CS..  trans-59.3131.5-180-2433.6000111.7H883 I905 V908 V914 T930 L933H883-P886 HydrophobicContact CB-CG 4.47Å; P886-I905 HydrophobicContact CB-CD1 3.85Å; P886-V908 HydrophobicContact CB-CG2 4.26Å; P886-V908 WeakPolarHBondContact O-CG2 3.24Å; P886-V914 HydrophobicContact CB-CG1 3.83Å; P886-V914 HydrophobicContact CG-CG1 4.08Å; P886-T930 HydrophobicContact CG-CG2 3.61Å; P886-L933 HydrophobicContact CB-CD2 3.84Å; P886-L933 HydrophobicContact CG-CD2 3.74Å
887V89.1Confident90.7Very high71 Ų7163.1 Ų63.143%0.4335%0.349SS..  trans-124.6137.6176.3-176.50000110.4N885 G889 E890 I905N885-V887 PolarHBondContact O-N 2.6Å; V887-G889 PolarHBondContact O-N 3.45Å; V887-E890 WeakPolarHBondContact O-CB 3.47Å; V887-E890 PolarHBondContact O-N 2.89Å; V887-E890 VanDerWaalsContact O-N 3.14Å; V887-I905 WeakPolarHBondContact O-CB 3.37Å
888P86.9Confident90.4Very high63 Ų6361.2 Ų61.241%0.40934%0.344SS..THydrogen-bonded Turntrans-55132.2173.8-25.536000112.1V908P888-V908 HydrophobicContact CG-CG2 4.24Å
889G85.4Confident90.3Very high46 Ų4658.4 Ų58.447%0.47432%0.316SS..THydrogen-bonded Turntrans99.3-21.6-174.800000114.7V887 I905V887-G889 PolarHBondContact O-N 3.45Å; G889-I905 PolarHBondContact N-O 2.84Å
890E90.7Very high90.3Very high57 Ų5756.9 Ų56.927%0.26631%0.307SS..  trans-80150.8-178.8-174.1-179.2-179.700112.5H883 V887 I905H883-E890 IonicContact CE1-OE1 2.54Å; H883-E890 IonicContact CE1-OE2 2.7Å; H883-E890 PolarHBondContact CE1-OE2 3.23Å; H883-E890 VanDerWaalsContact NE2-CG 3.26Å; H883-E890 WeakPolarHBondContact NE2-CG 3.24Å; H883-E890 IonicContact NE2-OE1 2.56Å; H883-E890 PolarHBondContact NE2-OE1 2.95Å; H883-E890 IonicContact NE2-OE2 3.69Å; H883-E890 PolarHBondContact NE2-OE2 3.12Å; V887-E890 WeakPolarHBondContact O-CB 3.47Å; V887-E890 PolarHBondContact O-N 2.89Å; V887-E890 VanDerWaalsContact O-N 3.14Å; E890-I905 HydrophobicContact CB-CD1 4.17Å; E890-I905 PolarHBondContact O-N 3.04Å
891M94Very high90.4Very high51 Ų5154.6 Ų54.625%0.25130%0.298SS..EExtended strand (participates in β ladder)trans-91.9132.4172.2-80.2-174.8-77.300112.5V903 L919 C936 K941M891-V903 CarbonylContact C-O 3.57Å; M891-V903 VanDerWaalsContact CA-O 3.3Å; M891-V903 WeakPolarHBondContact CA-O 3.28Å; M891-L919 HydrophobicContact CG-CD1 3.94Å; M891-L919 HydrophobicContact SD-CD1 3.76Å; M891-C936 HydrophobicContact CB-CB 4.46Å; M891-C936 WeakPolarHBondContact O-CB 3.37Å; M891-K941 HydrophobicContact CB-CG 4.45Å; M891-K941 HydrophobicContact CE-CB 4.06Å; M891-K941 HydrophobicContact CE-CG 4.46Å; M891-K941 VanDerWaalsContact CE-O 3.29Å; M891-K941 WeakPolarHBondContact CE-O 3.5Å
892A95.2Very high90.5Very high0 Ų049 Ų490%027%0.273CS..EExtended strand (participates in β ladder)trans-135.1-177.1179.500000110.7R902 V903 I905 L933 Y934A892-R902 WeakPolarHBondContact O-CA 3.17Å; A892-V903 HydrophobicContact CB-CG2 4.01Å; A892-V903 PolarHBondContact N-O 3.31Å; A892-V903 PolarHBondContact O-N 2.85Å; A892-I905 HydrophobicContact CB-CD1 4.33Å; A892-I905 HydrophobicContact CB-CG1 4.43Å; A892-L933 HydrophobicContact CB-CD1 3.71Å; A892-L933 HydrophobicContact CB-CD2 3.81Å; A892-L933 HydrophobicContact CB-CG 3.64Å; A892-Y934 WeakPolarHBondContact CA-O 3.45Å; A892-Y934 WeakPolarHBondContact CB-O 3.47Å
893V96.3Very high90.6Very high0 Ų043.7 Ų43.70%025%0.246CC..EExtended strand (participates in β ladder)trans-129.9140.6176.6175.20000110.2Y874 Y900 E901 R902 Y934 C936Y874-V893 HydrophobicContact CD1-CG1 4.39Å; Y874-V893 HydrophobicContact CD2-CG1 3.98Å; Y874-V893 HydrophobicContact CD2-CG2 4.42Å; Y874-V893 HydrophobicContact CE1-CB 4.39Å; Y874-V893 HydrophobicContact CE1-CG1 4.49Å; Y874-V893 HydrophobicContact CE2-CB 4.24Å; Y874-V893 HydrophobicContact CE2-CG1 4.1Å; Y874-V893 HydrophobicContact CE2-CG2 3.73Å; Y874-V893 HydrophobicContact CG-CG1 4.14Å; V893-Y900 HydrophobicContact CG1-CD1 4.23Å; V893-E901 WeakPolarHBondContact CA-O 3.24Å; V893-R902 HydrophobicContact CG2-CG 4.41Å; V893-Y934 PolarHBondContact N-O 3.34Å; V893-Y934 PolarHBondContact O-N 2.86Å; V893-C936 HydrophobicContact CG2-CB 4.26Å
894V95.1Very high90.8Very high0 Ų044.7 Ų44.70%025%0.251CS..EExtended strand (participates in β ladder)trans-124157.4173.6-620000111.4N896 Y900 E901 V903 V916 L918 Y928 L933V894-N896 HydrophobicContact CG2-CB 4.31Å; V894-Y900 WeakPolarHBondContact O-CA 3.42Å; V894-E901 PolarHBondContact N-O 2.77Å; V894-E901 PolarHBondContact O-N 3.27Å; V894-V903 HydrophobicContact CB-CG1 4.47Å; V894-V903 HydrophobicContact CG1-CG1 4.22Å; V894-V903 HydrophobicContact CG1-CG2 4.11Å; V894-V903 HydrophobicContact CG2-CG1 3.6Å; V894-V916 HydrophobicContact CG1-CG2 4.38Å; V894-L918 HydrophobicContact CG2-CD2 4.46Å; V894-Y928 HydrophobicContact CB-CE1 4.26Å; V894-Y928 HydrophobicContact CB-CE2 4.33Å; V894-Y928 HydrophobicContact CG1-CD1 4.43Å; V894-Y928 HydrophobicContact CG1-CD2 4.07Å; V894-Y928 HydrophobicContact CG1-CE2 4.22Å; V894-Y928 HydrophobicContact CG1-CG 4.17Å; V894-Y928 HydrophobicContact CG2-CE1 4.43Å; V894-Y928 HydrophobicContact CG2-CE2 3.98Å; V894-L933 HydrophobicContact CG1-CD1 3.59Å
895K93.4Very high91.1Very high75 Ų7539.2 Ų39.233%0.32622%0.215SC..EExtended strand (participates in β ladder)trans-92.8103166.2-163.6173.5-162.6149.40110.2E875 R899 Y900E875-K895 IonicContact OE1-NZ 3.94Å; E875-K895 PolarHBondContact OE1-NZ 2.69Å; K895-R899 CarbonylContact C-O 3.47Å; K895-R899 WeakPolarHBondContact CA-O 3.35Å; K895-Y900 HydrophobicContact CB-CD1 4.15Å; K895-Y900 HydrophobicContact CB-CE1 3.83Å; K895-Y900 HydrophobicContact CD-CE1 4.04Å; K895-Y900 HydrophobicContact CD-CE2 4.24Å; K895-Y900 WeakPolarHBondContact CD-OH 3.2Å; K895-Y900 WeakPolarHBondContact CE-OH 3.42Å; K895-Y900 HydrophobicContact CG-CD1 4.39Å; K895-Y900 HydrophobicContact CG-CE1 4Å; K895-Y900 HydrophobicContact CG-CE2 4.45Å; K895-Y900 PolarHBondContact NZ-OH 3.3Å
896N88.2Confident91.2Very high20 Ų2036.8 Ų36.811%0.10720%0.204CC..EExtended strand (participates in β ladder)trans-112.4112.7-178.9-176.614.5000111.3V894 N898 R899 E901 Y928V894-N896 HydrophobicContact CG2-CB 4.31Å; N896-N898 PolarHBondContact O-N 2.86Å; N896-R899 PolarHBondContact N-O 2.87Å; N896-R899 PolarHBondContact O-N 3.27Å; N896-E901 VanDerWaalsContact CB-OE2 3.24Å; N896-E901 WeakPolarHBondContact CB-OE2 3.4Å; N896-E901 PolarHBondContact ND2-OE2 2.76Å; N896-Y928 WeakPolarHBondContact CB-OH 3.21Å; N896-Y928 VanDerWaalsContact CG-OH 3.29Å; N896-Y928 PolarHBondContact OD1-OH 2.9Å
897I83.5Confident91Very high134 Ų13438.1 Ų38.169%0.68721%0.214SC*.THydrogen-bonded Turntrans46.460-178.7-50.7165.9000110.4R899I897-R899 PolarHBondContact O-N 2.89Å; I897-R899 VanDerWaalsContact O-N 3.1Å
898N86.1Confident90.8Very high106 Ų10638 Ų3857%0.56721%0.213SC*.THydrogen-bonded Turntrans60.411.7-178.8-59.6-25.6000116.7L859 Q871 N896L859-N898 HydrophobicContact CD1-CB 3.92Å; Q871-N898 PolarHBondContact NE2-O 3.15Å; N896-N898 PolarHBondContact O-N 2.86Å
899R90.4Very high90.4Very high25 Ų2538.9 Ų38.99%0.09421%0.212CC..EExtended strand (participates in β ladder)trans-114.8144.3175.5-66.3172.1-60.5116.226.8111.4F858 K895 N896 I897 E901F858-R899 HydrophobicContact CD1-CG 3.64Å; F858-R899 HydrophobicContact CE1-CG 3.67Å; K895-R899 CarbonylContact C-O 3.47Å; K895-R899 WeakPolarHBondContact CA-O 3.35Å; N896-R899 PolarHBondContact N-O 2.87Å; N896-R899 PolarHBondContact O-N 3.27Å; I897-R899 PolarHBondContact O-N 2.89Å; I897-R899 VanDerWaalsContact O-N 3.1Å; R899-E901 HydrophobicContact CB-CG 4.36Å; R899-E901 IonicContact CZ-OE1 2.74Å; R899-E901 IonicContact NH1-OE1 2.68Å; R899-E901 PolarHBondContact NH1-OE1 2.95Å; R899-E901 IonicContact NH2-OE1 2.67Å; R899-E901 PolarHBondContact NH2-OE1 2.87Å; R899-E901 IonicContact NH2-OE2 3.38Å
900Y94Very high89.2Confident8 Ų840 Ų403%0.03121%0.212CC..EExtended strand (participates in β ladder)trans-90.9119.9171.5-68-81.8000109.4Y874 R880 V893 V894 K895 Y934Y874-Y900 VanDerWaalsContact CB-CD1 3.46Å; Y874-Y900 VanDerWaalsContact CB-CG 3.43Å; Y874-Y900 HydrophobicContact CG-CD1 4.27Å; Y874-Y900 HydrophobicContact CG-CG 4.43Å; Y874-Y900 WeakPolarHBondContact O-CE2 3.42Å; Y874-Y900 VanDerWaalsContact O-CZ 3.29Å; Y874-Y900 PolarHBondContact O-OH 2.75Å; R880-Y900 VanDerWaalsContact CZ-OH 3.23Å; R880-Y900 PolarHBondContact NE-OH 2.89Å; V893-Y900 HydrophobicContact CG1-CD1 4.23Å; V894-Y900 WeakPolarHBondContact O-CA 3.42Å; K895-Y900 HydrophobicContact CB-CD1 4.15Å; K895-Y900 HydrophobicContact CB-CE1 3.83Å; K895-Y900 HydrophobicContact CD-CE1 4.04Å; K895-Y900 HydrophobicContact CD-CE2 4.24Å; K895-Y900 WeakPolarHBondContact CD-OH 3.2Å; K895-Y900 WeakPolarHBondContact CE-OH 3.42Å; K895-Y900 HydrophobicContact CG-CD1 4.39Å; K895-Y900 HydrophobicContact CG-CE1 4Å; K895-Y900 HydrophobicContact CG-CE2 4.45Å; K895-Y900 PolarHBondContact NZ-OH 3.3Å; Y900-Y934 HydrophobicContact CD1-CD2 4.45Å; Y900-Y934 HydrophobicContact CD1-CE2 4.31Å; Y900-Y934 HydrophobicContact CE1-CD2 4.3Å; Y900-Y934 AromaticContact CE1-CE2 3.79Å; Y900-Y934 HydrophobicContact CE1-CE2 3.79Å
901E93.6Very high87.9Confident7 Ų742.9 Ų42.93%0.03323%0.23CC..EExtended strand (participates in β ladder)trans-125.2136.5-173-63.1-176.8146.100110.1V893 V894 N896 R899 L918 T921V893-E901 WeakPolarHBondContact CA-O 3.24Å; V894-E901 PolarHBondContact N-O 2.77Å; V894-E901 PolarHBondContact O-N 3.27Å; N896-E901 VanDerWaalsContact CB-OE2 3.24Å; N896-E901 WeakPolarHBondContact CB-OE2 3.4Å; N896-E901 PolarHBondContact ND2-OE2 2.76Å; R899-E901 HydrophobicContact CB-CG 4.36Å; R899-E901 IonicContact CZ-OE1 2.74Å; R899-E901 IonicContact NH1-OE1 2.68Å; R899-E901 PolarHBondContact NH1-OE1 2.95Å; R899-E901 IonicContact NH2-OE1 2.67Å; R899-E901 PolarHBondContact NH2-OE1 2.87Å; R899-E901 IonicContact NH2-OE2 3.38Å; E901-L918 WeakPolarHBondContact OE2-CD1 3.4Å; E901-T921 HydrophobicContact CG-CG2 4.21Å; E901-T921 WeakPolarHBondContact OE1-CB 3.02Å; E901-T921 WeakPolarHBondContact OE1-CG2 3.34Å; E901-T921 PolarHBondContact OE1-OG1 2.7Å; E901-T921 PolarHBondContact OE2-OG1 2.75Å
902R95.7Very high87.1Confident1 Ų143.4 Ų43.40%0.00424%0.242CC..EExtended strand (participates in β ladder)trans-72.1138.2172-56.7-174.9-56151.84.1109.6V870 A892 V893 L919 D920 F940 S943 P944V870-R902 HydrophobicContact CG1-CG 4.4Å; V870-R902 HydrophobicContact CG2-CG 4.1Å; A892-R902 WeakPolarHBondContact O-CA 3.17Å; V893-R902 HydrophobicContact CG2-CG 4.41Å; R902-L919 HydrophobicContact CB-CB 4.45Å; R902-L919 HydrophobicContact CB-CD1 4.21Å; R902-L919 WeakPolarHBondContact O-CB 3.33Å; R902-L919 PolarHBondContact O-N 2.65Å; R902-L919 VanDerWaalsContact O-N 3.11Å; R902-D920 IonicContact CZ-OD1 3.38Å; R902-D920 IonicContact CZ-OD2 3.67Å; R902-D920 IonicContact NE-OD1 3.57Å; R902-D920 IonicContact NE-OD2 3.39Å; R902-D920 PolarHBondContact NE-OD2 2.69Å; R902-D920 IonicContact NH2-OD1 3.73Å; R902-D920 PolarHBondContact NH2-OD1 2.86Å; R902-D920 IonicContact NH2-OD2 3.42Å; R902-D920 PolarHBondContact NH2-OD2 2.77Å; R902-F940 WeakPolarHBondContact CD-O 3.48Å; R902-F940 PolarHBondContact NH1-O 2.77Å; R902-S943 PolarHBondContact NH1-O 3.11Å; R902-P944 PolarHBondContact NH2-O 2.88Å
903V95.3Very high86.8Confident0 Ų045.6 Ų45.60%025%0.253CS..EExtended strand (participates in β ladder)trans-134.4153.4-178.3-51.60000111M891 A892 V894 V916 Q917 L918 L933M891-V903 CarbonylContact C-O 3.57Å; M891-V903 VanDerWaalsContact CA-O 3.3Å; M891-V903 WeakPolarHBondContact CA-O 3.28Å; A892-V903 HydrophobicContact CB-CG2 4.01Å; A892-V903 PolarHBondContact N-O 3.31Å; A892-V903 PolarHBondContact O-N 2.85Å; V894-V903 HydrophobicContact CB-CG1 4.47Å; V894-V903 HydrophobicContact CG1-CG1 4.22Å; V894-V903 HydrophobicContact CG1-CG2 4.11Å; V894-V903 HydrophobicContact CG2-CG1 3.6Å; V903-V916 HydrophobicContact CB-CB 3.83Å; V903-V916 HydrophobicContact CB-CG2 3.8Å; V903-V916 HydrophobicContact CG1-CB 4.49Å; V903-V916 HydrophobicContact CG1-CG2 3.92Å; V903-V916 HydrophobicContact CG2-CB 3.71Å; V903-V916 HydrophobicContact CG2-CG1 4.06Å; V903-V916 HydrophobicContact CG2-CG2 3.85Å; V903-Q917 CarbonylContact C-O 3.5Å; V903-Q917 WeakPolarHBondContact CA-O 3.45Å; V903-Q917 WeakPolarHBondContact CB-O 3.34Å; V903-L918 HydrophobicContact CG1-CD2 3.53Å; V903-L933 HydrophobicContact CG2-CD1 4Å
904H93Very high86.5Confident35 Ų3545.6 Ų45.616%0.16225%0.253CS..EExtended strand (participates in β ladder)trans-109.3125.8171174.8-66.8000108.8V906 V916 Q917 L919H904-V906 PolarHBondContact O-N 3.25Å; H904-V916 WeakPolarHBondContact O-CA 3.34Å; H904-Q917 PolarHBondContact N-O 3.24Å; H904-Q917 PolarHBondContact O-N 2.9Å; H904-L919 HydrophobicContact CB-CD1 4.27Å; H904-L919 HydrophobicContact CB-CD2 3.92Å; H904-L919 HydrophobicContact CB-CG 4.34Å
905I92Very high86.4Confident0 Ų047.7 Ų47.70%026%0.264CS..EExtended strand (participates in β ladder)trans-70.5121.4-179.8-56.8164.5000108.2P886 V887 G889 E890 A892 V908 V916 L933P886-I905 HydrophobicContact CB-CD1 3.85Å; V887-I905 WeakPolarHBondContact O-CB 3.37Å; G889-I905 PolarHBondContact N-O 2.84Å; E890-I905 HydrophobicContact CB-CD1 4.17Å; E890-I905 PolarHBondContact O-N 3.04Å; A892-I905 HydrophobicContact CB-CD1 4.33Å; A892-I905 HydrophobicContact CB-CG1 4.43Å; I905-V908 HydrophobicContact CG2-CG2 4.16Å; I905-V916 HydrophobicContact CG1-CG1 4.35Å; I905-L933 HydrophobicContact CD1-CD2 3.87Å; I905-L933 HydrophobicContact CG1-CD2 4.21Å
906V88.4Confident86.3Confident61 Ų6144.1 Ų44.137%0.3725%0.248SC..EExtended strand (participates in β ladder)trans-93.1-46-177.8-177.70000110.2H904 L915 Q917H904-V906 PolarHBondContact O-N 3.25Å; V906-L915 HydrophobicContact CB-CD2 4.31Å; V906-L915 HydrophobicContact CB-CG 4.29Å; V906-L915 WeakPolarHBondContact CB-O 3.44Å; V906-L915 HydrophobicContact CG1-CD2 4.23Å; V906-L915 PolarHBondContact N-O 2.66Å; V906-Q917 HydrophobicContact CG2-CB 3.73Å
907S85.8Confident86.6Confident41 Ų4144.8 Ų44.829%0.28725%0.251SS..EExtended strand (participates in β ladder)trans-154.2154.2175.550.60000110.5L915S907-L915 PolarHBondContact N-O 2.9Å; S907-L915 PolarHBondContact O-N 2.93Å; S907-L915 WeakPolarHBondContact OG-CB 3.33Å
908V83.8Confident87.1Confident67 Ų6738.5 Ų38.541%0.40622%0.219SC..EExtended strand (participates in β ladder)trans-107.6118.5171.4-177.10000106.2P886 P888 I905 V914P886-V908 HydrophobicContact CB-CG2 4.26Å; P886-V908 WeakPolarHBondContact O-CG2 3.24Å; P888-V908 HydrophobicContact CG-CG2 4.24Å; I905-V908 HydrophobicContact CG2-CG2 4.16Å; V908-V914 HydrophobicContact CG1-CG1 4.22Å; V908-V914 HydrophobicContact CG2-CG1 4.23Å
909E78.7Confident87.5Confident83 Ų8333.6 Ų33.639%0.38819%0.192SC..EExtended strand (participates in β ladder)trans-91.5147.6179.1-63.8169.9-174.800108.8N911 M913E909-N911 PolarHBondContact O-N 3Å; E909-N911 VanDerWaalsContact O-N 3.1Å; E909-M913 HydrophobicContact CB-CB 4.23Å; E909-M913 WeakPolarHBondContact CB-O 3.15Å; E909-M913 PolarHBondContact N-O 2.92Å
910S61.3Low87.5Confident69 Ų6932.9 Ų32.948%0.48319%0.191SC..THydrogen-bonded Turntrans-58.9-28.3-170.554.80000114.7E153 A912E153-S910 WeakPolarHBondContact OE2-CB 3.16Å; E153-S910 PolarHBondContact OE2-OG 2.85Å; S910-A912 PolarHBondContact O-N 3Å
911N62.2Low87.3Confident117 Ų11733.4 Ų33.463%0.62619%0.194SC*.THydrogen-bonded Turntrans-81.332.6-175.1-80.2-91.1000114.6E153 E909 M913E153-N911 PolarHBondContact OE2-ND2 2.77Å; E909-N911 PolarHBondContact O-N 3Å; E909-N911 VanDerWaalsContact O-N 3.1Å; N911-M913 PolarHBondContact O-N 2.78Å; N911-M913 VanDerWaalsContact O-N 3.14Å
912A78.3Confident87.1Confident62 Ų6233.2 Ų33.251%0.51219%0.194SC..THydrogen-bonded Turntrans52.629.8-171.800000113.8S910 K929 T930S910-A912 PolarHBondContact O-N 3Å; A912-K929 WeakPolarHBondContact O-CA 3.42Å; A912-T930 PolarHBondContact O-N 3.22Å; A912-T930 PolarHBondContact O-OG1 3.45Å
913M88.6Confident86.9Confident46 Ų4634.2 Ų34.223%0.22720%0.2CC..EExtended strand (participates in β ladder)trans-105.9143174.1-65.6-62.4-62.800109.2E909 N911 S927 Y928 K929E909-M913 HydrophobicContact CB-CB 4.23Å; E909-M913 WeakPolarHBondContact CB-O 3.15Å; E909-M913 PolarHBondContact N-O 2.92Å; N911-M913 PolarHBondContact O-N 2.78Å; N911-M913 VanDerWaalsContact O-N 3.14Å; M913-S927 WeakPolarHBondContact CE-OG 3.4Å; M913-Y928 CarbonylContact C-O 3.55Å; M913-Y928 VanDerWaalsContact CA-O 3.32Å; M913-Y928 WeakPolarHBondContact CA-O 3.07Å; M913-Y928 VanDerWaalsContact CE-C 3.41Å; M913-Y928 WeakPolarHBondContact CE-O 3.5Å; M913-K929 HydrophobicContact CE-CG 4.48Å; M913-K929 HydrophobicContact SD-CB 4.32Å; M913-K929 HydrophobicContact SD-CG 3.54Å; M913-K929 VanDerWaalsContact SD-CG 3.54Å
914V89.9Confident86.6Confident0 Ų038 Ų380%022%0.218CC..EExtended strand (participates in β ladder)trans-124.2124.2178.4-72.10000109P886 V908 V916 S927 Y928 L933P886-V914 HydrophobicContact CB-CG1 3.83Å; P886-V914 HydrophobicContact CG-CG1 4.08Å; V908-V914 HydrophobicContact CG1-CG1 4.22Å; V908-V914 HydrophobicContact CG2-CG1 4.23Å; V914-V916 HydrophobicContact CB-CG1 4.16Å; V914-V916 HydrophobicContact CG2-CG1 4.02Å; V914-S927 WeakPolarHBondContact O-CA 3.24Å; V914-Y928 WeakPolarHBondContact CG2-O 3.47Å; V914-Y928 PolarHBondContact N-O 3.5Å; V914-Y928 PolarHBondContact O-N 2.91Å; V914-L933 HydrophobicContact CG2-CD1 4.33Å; V914-L933 HydrophobicContact CG2-CD2 4.3Å
915L91.8Very high86.5Confident44 Ų4439.3 Ų39.323%0.2323%0.23CC..EExtended strand (participates in β ladder)trans-84.2116.9171.8-174.968000107.8V906 S907 C925V906-L915 HydrophobicContact CB-CD2 4.31Å; V906-L915 HydrophobicContact CB-CG 4.29Å; V906-L915 WeakPolarHBondContact CB-O 3.44Å; V906-L915 HydrophobicContact CG1-CD2 4.23Å; V906-L915 PolarHBondContact N-O 2.66Å; S907-L915 PolarHBondContact N-O 2.9Å; S907-L915 PolarHBondContact O-N 2.93Å; S907-L915 WeakPolarHBondContact OG-CB 3.33Å; L915-C925 HydrophobicContact CD1-CB 3.85Å; L915-C925 HydrophobicContact CG-CB 4.15Å
916V93Very high86.4Confident0 Ų042.6 Ų42.60%025%0.245CC..EExtended strand (participates in β ladder)trans-124.5138.4-176.3-49.30000110.9V894 V903 H904 I905 V914 C925 F926 Y928 L933V894-V916 HydrophobicContact CG1-CG2 4.38Å; V903-V916 HydrophobicContact CB-CB 3.83Å; V903-V916 HydrophobicContact CB-CG2 3.8Å; V903-V916 HydrophobicContact CG1-CB 4.49Å; V903-V916 HydrophobicContact CG1-CG2 3.92Å; V903-V916 HydrophobicContact CG2-CB 3.71Å; V903-V916 HydrophobicContact CG2-CG1 4.06Å; V903-V916 HydrophobicContact CG2-CG2 3.85Å; H904-V916 WeakPolarHBondContact O-CA 3.34Å; I905-V916 HydrophobicContact CG1-CG1 4.35Å; V914-V916 HydrophobicContact CB-CG1 4.16Å; V914-V916 HydrophobicContact CG2-CG1 4.02Å; V916-C925 CarbonylContact O-C 3.57Å; V916-C925 VanDerWaalsContact O-CA 3.24Å; V916-C925 WeakPolarHBondContact O-CA 3.46Å; V916-F926 PolarHBondContact N-O 3.11Å; V916-F926 PolarHBondContact O-N 2.74Å; V916-Y928 HydrophobicContact CG2-CD2 3.64Å; V916-Y928 HydrophobicContact CG2-CE2 3.93Å; V916-L933 HydrophobicContact CG1-CD1 4.01Å
917Q93.6Very high86.6Confident34 Ų3442.5 Ų42.516%0.15925%0.246CC..EExtended strand (participates in β ladder)trans-93.1128.4174.5174.6167.463.300109.5V903 H904 V906 T923 E924V903-Q917 CarbonylContact C-O 3.5Å; V903-Q917 WeakPolarHBondContact CA-O 3.45Å; V903-Q917 WeakPolarHBondContact CB-O 3.34Å; H904-Q917 PolarHBondContact N-O 3.24Å; H904-Q917 PolarHBondContact O-N 2.9Å; V906-Q917 HydrophobicContact CG2-CB 3.73Å; Q917-T923 PolarHBondContact NE2-O 3.41Å; Q917-E924 WeakPolarHBondContact CA-O 3.35Å
918L93.8Very high86.8Confident3 Ų341.7 Ų41.72%0.01624%0.237CC..EExtended strand (participates in β ladder)trans-66.4146.8172-57.8-171.7000110.5V894 E901 V903 S922 E924 F926V894-L918 HydrophobicContact CG2-CD2 4.46Å; E901-L918 WeakPolarHBondContact OE2-CD1 3.4Å; V903-L918 HydrophobicContact CG1-CD2 3.53Å; L918-S922 CarbonylContact C-O 3.56Å; L918-S922 VanDerWaalsContact C-O 3.29Å; L918-E924 PolarHBondContact N-O 2.74Å; L918-F926 HydrophobicContact CD1-CD2 3.93Å; L918-F926 HydrophobicContact CD1-CE2 3.49Å; L918-F926 VanDerWaalsContact CD1-CE2 3.49Å; L918-F926 HydrophobicContact CD1-CZ 4.44Å; L918-F926 HydrophobicContact CD2-CD2 4.3Å; L918-F926 HydrophobicContact CG-CD2 3.82Å; L918-F926 HydrophobicContact CG-CE2 3.82Å
919L93.8Very high87.2Confident3 Ų344.1 Ų44.12%0.01624%0.242CC..SBendtrans-110.2-27.5-175.8-64.7178.3000114.9M891 R902 H904 R945 E946 A947M891-L919 HydrophobicContact CG-CD1 3.94Å; M891-L919 HydrophobicContact SD-CD1 3.76Å; R902-L919 HydrophobicContact CB-CB 4.45Å; R902-L919 HydrophobicContact CB-CD1 4.21Å; R902-L919 WeakPolarHBondContact O-CB 3.33Å; R902-L919 PolarHBondContact O-N 2.65Å; R902-L919 VanDerWaalsContact O-N 3.11Å; H904-L919 HydrophobicContact CB-CD1 4.27Å; H904-L919 HydrophobicContact CB-CD2 3.92Å; H904-L919 HydrophobicContact CB-CG 4.34Å; L919-R945 HydrophobicContact CB-CB 4.17Å; L919-R945 HydrophobicContact CD2-CB 4.3Å; L919-R945 WeakPolarHBondContact O-CB 3.19Å; L919-E946 PolarHBondContact O-N 2.93Å; L919-A947 WeakPolarHBondContact O-CB 3.41Å; L919-A947 PolarHBondContact O-N 3.48Å
920D92.1Very high87.7Confident10 Ų1041.8 Ų41.85%0.05323%0.234CC..SBendtrans-120.6-22.4-166.6-59.4-40.8000114.6L836 R902 E946L836-D920 WeakPolarHBondContact CD1-O 3.35Å; R902-D920 IonicContact CZ-OD1 3.38Å; R902-D920 IonicContact CZ-OD2 3.67Å; R902-D920 IonicContact NE-OD1 3.57Å; R902-D920 IonicContact NE-OD2 3.39Å; R902-D920 PolarHBondContact NE-OD2 2.69Å; R902-D920 IonicContact NH2-OD1 3.73Å; R902-D920 PolarHBondContact NH2-OD1 2.86Å; R902-D920 IonicContact NH2-OD2 3.42Å; R902-D920 PolarHBondContact NH2-OD2 2.77Å; D920-E946 HydrophobicContact CB-CB 4.31Å; D920-E946 PolarHBondContact OD1-N 3.12Å; D920-E946 VanDerWaalsContact OD1-N 3.16Å
921T88Confident89Confident18 Ų1841.8 Ų41.811%0.1123%0.234CC..SBendtrans-122.3-17.2-170.360.80000113.6L836 F861 E901L836-T921 WeakPolarHBondContact CB-O 3.49Å; F861-T921 HydrophobicContact CD1-CG2 4.49Å; F861-T921 HydrophobicContact CE1-CG2 3.57Å; F861-T921 HydrophobicContact CZ-CG2 3.78Å; E901-T921 HydrophobicContact CG-CG2 4.21Å; E901-T921 WeakPolarHBondContact OE1-CB 3.02Å; E901-T921 WeakPolarHBondContact OE1-CG2 3.34Å; E901-T921 PolarHBondContact OE1-OG1 2.7Å; E901-T921 PolarHBondContact OE2-OG1 2.75Å
922S90.9Very high90.4Very high4 Ų440.5 Ų40.53%0.02822%0.224CC..  trans-159.2173.1174.3-170.30000107.5Y839 L918 E924 A947Y839-S922 PolarHBondContact OH-OG 3.02Å; L918-S922 CarbonylContact C-O 3.56Å; L918-S922 VanDerWaalsContact C-O 3.29Å; S922-E924 PolarHBondContact OG-N 3.14Å; S922-E924 PolarHBondContact OG-OE2 3.46Å; S922-A947 VanDerWaalsContact O-CB 3.29Å; S922-A947 WeakPolarHBondContact O-CB 3.28Å
923T90.8Very high91.1Very high22 Ų2237.5 Ų37.514%0.13520%0.2CC..  trans-114.25167.760.30000112.3Y839 A845 Q917 A947Y839-T923 WeakPolarHBondContact CE2-OG1 3.4Å; Y839-T923 WeakPolarHBondContact OH-CA 3.33Å; Y839-T923 PolarHBondContact OH-N 3.25Å; Y839-T923 PolarHBondContact OH-OG1 2.52Å; A845-T923 HydrophobicContact CB-CG2 4.49Å; Q917-T923 PolarHBondContact NE2-O 3.41Å; T923-A947 HydrophobicContact CG2-CB 3.99Å
924E89.7Confident91.5Very high80 Ų8037.2 Ų37.237%0.37420%0.196SC..  trans-66153.9175.1-81.3162.2145.700113.2Y839 Q917 L918 S922 F926Y839-E924 HydrophobicContact CD1-CG 4.16Å; Y839-E924 HydrophobicContact CE1-CG 3.47Å; Y839-E924 VanDerWaalsContact CE1-CG 3.47Å; Y839-E924 PolarHBondContact OH-N 3.24Å; Q917-E924 WeakPolarHBondContact CA-O 3.35Å; L918-E924 PolarHBondContact N-O 2.74Å; S922-E924 PolarHBondContact OG-N 3.14Å; S922-E924 PolarHBondContact OG-OE2 3.46Å; E924-F926 HydrophobicContact CB-CD2 4.3Å; E924-F926 HydrophobicContact CB-CE2 3.49Å; E924-F926 VanDerWaalsContact CB-CE2 3.49Å; E924-F926 HydrophobicContact CB-CZ 3.84Å
925C90.1Very high91.6Very high61 Ų6138.9 Ų38.941%0.41221%0.208SC..EExtended strand (participates in β ladder)trans-100.2138170.9-57.30000110.6L915 V916L915-C925 HydrophobicContact CD1-CB 3.85Å; L915-C925 HydrophobicContact CG-CB 4.15Å; V916-C925 CarbonylContact O-C 3.57Å; V916-C925 VanDerWaalsContact O-CA 3.24Å; V916-C925 WeakPolarHBondContact O-CA 3.46Å
926F90.1Very high91.8Very high70 Ų7037 Ų3731%0.30720%0.199SC..EExtended strand (participates in β ladder)trans-130.3145.4178-63.9-89.6000109.7V916 L918 E924 Y928V916-F926 PolarHBondContact N-O 3.11Å; V916-F926 PolarHBondContact O-N 2.74Å; L918-F926 HydrophobicContact CD1-CD2 3.93Å; L918-F926 HydrophobicContact CD1-CE2 3.49Å; L918-F926 VanDerWaalsContact CD1-CE2 3.49Å; L918-F926 HydrophobicContact CD1-CZ 4.44Å; L918-F926 HydrophobicContact CD2-CD2 4.3Å; L918-F926 HydrophobicContact CG-CD2 3.82Å; L918-F926 HydrophobicContact CG-CE2 3.82Å; E924-F926 HydrophobicContact CB-CD2 4.3Å; E924-F926 HydrophobicContact CB-CE2 3.49Å; E924-F926 VanDerWaalsContact CB-CE2 3.49Å; E924-F926 HydrophobicContact CB-CZ 3.84Å; F926-Y928 HydrophobicContact CB-CD2 4.07Å; F926-Y928 HydrophobicContact CB-CE2 3.55Å; F926-Y928 HydrophobicContact CG-CE2 4.44Å
927S91.7Very high91.7Very high58 Ų5839.3 Ų39.341%0.40621%0.212SC..EExtended strand (participates in β ladder)trans-94.2123.3174.5-169.50000109.5M913 V914M913-S927 WeakPolarHBondContact CE-OG 3.4Å; V914-S927 WeakPolarHBondContact O-CA 3.24Å
928Y91.4Very high91.5Very high25 Ų2543 Ų4310%0.09823%0.23CC..EExtended strand (participates in β ladder)trans-121.9158177.6-75.2-89.1000110.2V894 N896 M913 V914 V916 F926 Q932V894-Y928 HydrophobicContact CB-CE1 4.26Å; V894-Y928 HydrophobicContact CB-CE2 4.33Å; V894-Y928 HydrophobicContact CG1-CD1 4.43Å; V894-Y928 HydrophobicContact CG1-CD2 4.07Å; V894-Y928 HydrophobicContact CG1-CE2 4.22Å; V894-Y928 HydrophobicContact CG1-CG 4.17Å; V894-Y928 HydrophobicContact CG2-CE1 4.43Å; V894-Y928 HydrophobicContact CG2-CE2 3.98Å; N896-Y928 WeakPolarHBondContact CB-OH 3.21Å; N896-Y928 VanDerWaalsContact CG-OH 3.29Å; N896-Y928 PolarHBondContact OD1-OH 2.9Å; M913-Y928 CarbonylContact C-O 3.55Å; M913-Y928 VanDerWaalsContact CA-O 3.32Å; M913-Y928 WeakPolarHBondContact CA-O 3.07Å; M913-Y928 VanDerWaalsContact CE-C 3.41Å; M913-Y928 WeakPolarHBondContact CE-O 3.5Å; V914-Y928 WeakPolarHBondContact CG2-O 3.47Å; V914-Y928 PolarHBondContact N-O 3.5Å; V914-Y928 PolarHBondContact O-N 2.91Å; V916-Y928 HydrophobicContact CG2-CD2 3.64Å; V916-Y928 HydrophobicContact CG2-CE2 3.93Å; F926-Y928 HydrophobicContact CB-CD2 4.07Å; F926-Y928 HydrophobicContact CB-CE2 3.55Å; F926-Y928 HydrophobicContact CG-CE2 4.44Å; Y928-Q932 HydrophobicContact CD1-CB 4.31Å
929K91.6Very high91.2Very high118 Ų11847.8 Ų47.851%0.51325%0.254SS..EExtended strand (participates in β ladder)trans-70.7146.4167.3-66.2179.2177.2-173.90109.7A912 M913 S931 Q932A912-K929 WeakPolarHBondContact O-CA 3.42Å; M913-K929 HydrophobicContact CE-CG 4.48Å; M913-K929 HydrophobicContact SD-CB 4.32Å; M913-K929 HydrophobicContact SD-CG 3.54Å; M913-K929 VanDerWaalsContact SD-CG 3.54Å; K929-S931 PolarHBondContact O-N 3Å; K929-S931 VanDerWaalsContact O-N 3.12Å; K929-Q932 HydrophobicContact CB-CG 4.15Å; K929-Q932 WeakPolarHBondContact O-CB 3.42Å; K929-Q932 PolarHBondContact O-N 3.11Å
930T88.9Confident91.2Very high34 Ų3447.8 Ų47.821%0.20925%0.254CS..G310 helixtrans-52.7-34.2172-63.10000112.3P886 A912 Q932 L933P886-T930 HydrophobicContact CG-CG2 3.61Å; A912-T930 PolarHBondContact O-N 3.22Å; A912-T930 PolarHBondContact O-OG1 3.45Å; T930-Q932 PolarHBondContact O-N 3.47Å; T930-L933 WeakPolarHBondContact O-CB 3.4Å; T930-L933 PolarHBondContact O-N 3.39Å; T930-L933 VanDerWaalsContact O-N 3.14Å
931S89.1Confident91Very high69 Ų6949.7 Ų49.748%0.48326%0.262SS..G310 helixtrans-69.7-9.517657.90000115.6K929K929-S931 PolarHBondContact O-N 3Å; K929-S931 VanDerWaalsContact O-N 3.12Å
932Q91.4Very high91Very high89 Ų8955.4 Ų55.442%0.41629%0.292SS..G310 helixtrans-99.70.4175.1-61.6171.7-48.100112.2Y928 K929 T930Y928-Q932 HydrophobicContact CD1-CB 4.31Å; K929-Q932 HydrophobicContact CB-CG 4.15Å; K929-Q932 WeakPolarHBondContact O-CB 3.42Å; K929-Q932 PolarHBondContact O-N 3.11Å; T930-Q932 PolarHBondContact O-N 3.47Å
933L93.9Very high90.9Very high0 Ų056.5 Ų56.50%030%0.299CS..EExtended strand (participates in β ladder)trans-97.6127.5-179.4-157.274.6000109.8H883 P886 A892 V894 V903 I905 V914 V916 T930H883-L933 HydrophobicContact CB-CB 4.14Å; H883-L933 HydrophobicContact CB-CD2 3.89Å; H883-L933 HydrophobicContact CB-CG 4.08Å; H883-L933 PolarHBondContact N-O 3.3Å; P886-L933 HydrophobicContact CB-CD2 3.84Å; P886-L933 HydrophobicContact CG-CD2 3.74Å; A892-L933 HydrophobicContact CB-CD1 3.71Å; A892-L933 HydrophobicContact CB-CD2 3.81Å; A892-L933 HydrophobicContact CB-CG 3.64Å; V894-L933 HydrophobicContact CG1-CD1 3.59Å; V903-L933 HydrophobicContact CG2-CD1 4Å; I905-L933 HydrophobicContact CD1-CD2 3.87Å; I905-L933 HydrophobicContact CG1-CD2 4.21Å; V914-L933 HydrophobicContact CG2-CD1 4.33Å; V914-L933 HydrophobicContact CG2-CD2 4.3Å; V916-L933 HydrophobicContact CG1-CD1 4.01Å; T930-L933 WeakPolarHBondContact O-CB 3.4Å; T930-L933 PolarHBondContact O-N 3.39Å; T930-L933 VanDerWaalsContact O-N 3.14Å
934Y95.1Very high91Very high39 Ų3958.2 Ų58.215%0.15331%0.311CS..EExtended strand (participates in β ladder)trans-107.3146.6176-53.7-66.7000111R880 H881 A892 V893 Y900 C936R880-Y934 HydrophobicContact CB-CD1 4Å; R880-Y934 HydrophobicContact CB-CE1 3.78Å; H881-Y934 CarbonylContact O-C 3.56Å; H881-Y934 VanDerWaalsContact O-CA 3.24Å; H881-Y934 WeakPolarHBondContact O-CA 3.49Å; A892-Y934 WeakPolarHBondContact CA-O 3.45Å; A892-Y934 WeakPolarHBondContact CB-O 3.47Å; V893-Y934 PolarHBondContact N-O 3.34Å; V893-Y934 PolarHBondContact O-N 2.86Å; Y900-Y934 HydrophobicContact CD1-CD2 4.45Å; Y900-Y934 HydrophobicContact CD1-CE2 4.31Å; Y900-Y934 HydrophobicContact CE1-CD2 4.3Å; Y900-Y934 AromaticContact CE1-CE2 3.79Å; Y900-Y934 HydrophobicContact CE1-CE2 3.79Å; Y934-C936 PolarHBondContact O-N 3.08Å
935S93.8Very high91.1Very high35 Ų3556.4 Ų56.425%0.24530%0.301CS..EExtended strand (participates in β ladder)trans-61.9125.3172.7-61.10000110.5Y874 H881Y874-S935 PolarHBondContact OH-O 2.72Å; H881-S935 PolarHBondContact O-N 2.67Å
936C94.3Very high91.3Very high6 Ų653.8 Ų53.84%0.04128%0.282CS..PPolyproline II helixtrans-72.3127.5171.2-165.70000108.9Y874 M891 V893 Y934 K941Y874-C936 WeakPolarHBondContact OH-CA 3.48Å; M891-C936 HydrophobicContact CB-CB 4.46Å; M891-C936 WeakPolarHBondContact O-CB 3.37Å; V893-C936 HydrophobicContact CG2-CB 4.26Å; Y934-C936 PolarHBondContact O-N 3.08Å; C936-K941 HydrophobicContact CB-CG 4.07Å; C936-K941 WeakPolarHBondContact O-CE 3.47Å
937V92.6Very high91.5Very high47 Ų4750.5 Ų50.529%0.28527%0.268SS..PPolyproline II helixtrans-77.5145.3173.1-73.90000111Y874 I939 F940 K941Y874-V937 PolarHBondContact OH-N 2.95Å; V937-I939 HydrophobicContact CB-CG1 4.25Å; V937-I939 HydrophobicContact CG2-CD1 4.07Å; V937-I939 HydrophobicContact CG2-CG1 3.62Å; V937-I939 PolarHBondContact O-N 2.97Å; V937-I939 VanDerWaalsContact O-N 3.09Å; V937-F940 HydrophobicContact CG2-CD2 3.36Å; V937-F940 HydrophobicContact CG2-CE2 3.59Å; V937-F940 HydrophobicContact CG2-CG 4.23Å; V937-F940 PolarHBondContact O-N 3.33Å; V937-K941 PolarHBondContact O-N 3.47Å
938E88.4Confident91.7Very high113 Ų11347.8 Ų47.853%0.52825%0.249SC..Hα-helixtrans-51.5-39-171.7-60.3-53.1130.600113.8F940 K941 D942E938-F940 PolarHBondContact O-N 2.98Å; E938-K941 PolarHBondContact O-N 3.47Å; E938-K941 WeakPolarHBondContact OE1-CE 3.27Å; E938-K941 IonicContact OE1-NZ 3.13Å; E938-K941 PolarHBondContact OE1-NZ 3.08Å; E938-K941 WeakPolarHBondContact OE2-CD 3.17Å; E938-K941 IonicContact OE2-NZ 2.08Å; E938-D942 PolarHBondContact O-N 3.28Å
939I88.4Confident91.9Very high102 Ų10247.3 Ų47.352%0.52325%0.248SC..Hα-helixtrans-54.3-19.2175.861.4167.7000114.7V937V937-I939 HydrophobicContact CB-CG1 4.25Å; V937-I939 HydrophobicContact CG2-CD1 4.07Å; V937-I939 HydrophobicContact CG2-CG1 3.62Å; V937-I939 PolarHBondContact O-N 2.97Å; V937-I939 VanDerWaalsContact O-N 3.09Å
940F92.4Very high92.1Very high4 Ų441.7 Ų41.72%0.01822%0.224CC..Hα-helixtrans-109.9-12.6176.5-57.8-38.4000113.3L866 R869 V870 H873 Y874 R902 V937 E938L866-F940 HydrophobicContact CD1-CD1 3.92Å; R869-F940 HydrophobicContact CB-CE1 3.95Å; R869-F940 HydrophobicContact CB-CZ 4.36Å; V870-F940 HydrophobicContact CG2-CB 4.39Å; V870-F940 HydrophobicContact CG2-CD1 3.8Å; V870-F940 HydrophobicContact CG2-CD2 3.96Å; V870-F940 HydrophobicContact CG2-CE1 4Å; V870-F940 HydrophobicContact CG2-CE2 4.15Å; V870-F940 HydrophobicContact CG2-CG 3.79Å; V870-F940 HydrophobicContact CG2-CZ 4.17Å; H873-F940 HydrophobicContact CB-CE2 3.76Å; H873-F940 HydrophobicContact CB-CZ 3.77Å; H873-F940 AromaticContact CD2-CE2 3.84Å; H873-F940 AromaticContact CG-CE2 3.74Å; Y874-F940 HydrophobicContact CD2-CE2 4.44Å; Y874-F940 AromaticContact CE2-CD2 3.89Å; Y874-F940 HydrophobicContact CE2-CD2 3.89Å; Y874-F940 AromaticContact CE2-CE2 3.84Å; Y874-F940 HydrophobicContact CE2-CE2 3.84Å; R902-F940 WeakPolarHBondContact CD-O 3.48Å; R902-F940 PolarHBondContact NH1-O 2.77Å; V937-F940 HydrophobicContact CG2-CD2 3.36Å; V937-F940 HydrophobicContact CG2-CE2 3.59Å; V937-F940 HydrophobicContact CG2-CG 4.23Å; V937-F940 PolarHBondContact O-N 3.33Å; E938-F940 PolarHBondContact O-N 2.98Å
941K89.1Confident92.5Very high50 Ų5041.9 Ų41.922%0.21722%0.221CC..Hα-helixtrans-75.4-38.4172.7-67.8-171.4-171.9163.10111.6M891 C936 V937 E938 S943M891-K941 HydrophobicContact CB-CG 4.45Å; M891-K941 HydrophobicContact CE-CB 4.06Å; M891-K941 HydrophobicContact CE-CG 4.46Å; M891-K941 VanDerWaalsContact CE-O 3.29Å; M891-K941 WeakPolarHBondContact CE-O 3.5Å; C936-K941 HydrophobicContact CB-CG 4.07Å; C936-K941 WeakPolarHBondContact O-CE 3.47Å; V937-K941 PolarHBondContact O-N 3.47Å; E938-K941 PolarHBondContact O-N 3.47Å; E938-K941 WeakPolarHBondContact OE1-CE 3.27Å; E938-K941 IonicContact OE1-NZ 3.13Å; E938-K941 PolarHBondContact OE1-NZ 3.08Å; E938-K941 WeakPolarHBondContact OE2-CD 3.17Å; E938-K941 IonicContact OE2-NZ 2.08Å; K941-S943 PolarHBondContact O-N 2.77Å
942D86.8Confident92.8Very high138 Ų13838.9 Ų38.974%0.73820%0.199SC*.SBendtrans-67.4-16.4-179.1-66.2-25.7000114.2E938E938-D942 PolarHBondContact O-N 3.28Å
943S89.8Confident93Very high27 Ų2735.7 Ų35.719%0.18919%0.185CC..SBendtrans-82135.9-177.8-630000111.7R902 K941R902-S943 PolarHBondContact NH1-O 3.11Å; K941-S943 PolarHBondContact O-N 2.77Å
944P91.9Very high93Very high57 Ų5735.7 Ų35.737%0.3719%0.185SC..PPolyproline II helixtrans-62.4163.1176.928.6-36.3000111.8F852 R902F852-P944 HydrophobicContact CE1-CG 3.93Å; F852-P944 HydrophobicContact CZ-CG 4.03Å; R902-P944 PolarHBondContact NH2-O 2.88Å
945R92.4Very high93Very high43 Ų4333.9 Ų33.916%0.16218%0.177CC..PPolyproline II helixtrans-73.6139.6173.865.6-177.669-146-1.9110.2H824 Y825 L919H824-R945 WeakPolarHBondContact NE2-CG 3.45Å; H824-R945 PolarHBondContact NE2-O 2.99Å; Y825-R945 HydrophobicContact CE2-CG 4.35Å; L919-R945 HydrophobicContact CB-CB 4.17Å; L919-R945 HydrophobicContact CD2-CB 4.3Å; L919-R945 WeakPolarHBondContact O-CB 3.19Å
946E93.9Very high92.9Very high6 Ų632.2 Ų32.23%0.02817%0.166CC..  trans-94.8-26.1-179.6-60.4-169.5-178.100114.3R847 F852 S864 L866 L919 D920R847-E946 WeakPolarHBondContact CD-OE2 3.36Å; R847-E946 HydrophobicContact CG-CB 4.22Å; R847-E946 IonicContact CZ-OE2 2.77Å; R847-E946 IonicContact NE-OE2 2.73Å; R847-E946 IonicContact NH1-OE2 3.64Å; R847-E946 PolarHBondContact NH1-OE2 3.22Å; F852-E946 HydrophobicContact CB-CG 4.24Å; F852-E946 HydrophobicContact CD1-CG 3.81Å; F852-E946 HydrophobicContact CD2-CB 4.42Å; F852-E946 HydrophobicContact CD2-CG 4.44Å; F852-E946 HydrophobicContact CE1-CG 4.3Å; F852-E946 HydrophobicContact CG-CB 4.26Å; F852-E946 HydrophobicContact CG-CG 3.89Å; S864-E946 WeakPolarHBondContact CB-OE1 3.49Å; S864-E946 WeakPolarHBondContact CB-OE2 3.5Å; S864-E946 PolarHBondContact OG-OE1 3.4Å; S864-E946 PolarHBondContact OG-OE2 3.33Å; L866-E946 WeakPolarHBondContact CB-OE1 3.42Å; L919-E946 PolarHBondContact O-N 2.93Å; D920-E946 HydrophobicContact CB-CB 4.31Å; D920-E946 PolarHBondContact OD1-N 3.12Å; D920-E946 VanDerWaalsContact OD1-N 3.16Å
947A94.4Very high92.7Very high1 Ų132.2 Ų32.21%0.00817%0.166CC..  trans-86.6126.417800000110.8L836 L919 S922 T923L836-A947 HydrophobicContact CD1-CB 3.9Å; L919-A947 WeakPolarHBondContact O-CB 3.41Å; L919-A947 PolarHBondContact O-N 3.48Å; S922-A947 VanDerWaalsContact O-CB 3.29Å; S922-A947 WeakPolarHBondContact O-CB 3.28Å; T923-A947 HydrophobicContact CG2-CB 3.99Å
948M95.4Very high92.2Very high0 Ų033.2 Ų33.20%017%0.167CC..EExtended strand (participates in β ladder)trans-119.3139.4179-56.3-176.1174.900109.8Y825 A845 V846 L848 F852 I1000Y825-M948 HydrophobicContact CD1-SD 4.31Å; Y825-M948 HydrophobicContact CD2-CE 3.81Å; Y825-M948 HydrophobicContact CD2-SD 4.2Å; Y825-M948 HydrophobicContact CE1-CB 3.99Å; Y825-M948 HydrophobicContact CE1-CG 3.99Å; Y825-M948 HydrophobicContact CE1-SD 4.29Å; Y825-M948 HydrophobicContact CE2-CE 3.91Å; Y825-M948 HydrophobicContact CE2-CG 3.92Å; Y825-M948 HydrophobicContact CE2-SD 4.2Å; Y825-M948 HydrophobicContact CG-CE 4.35Å; Y825-M948 HydrophobicContact CG-SD 4.27Å; A845-M948 WeakPolarHBondContact CA-O 3.48Å; V846-M948 HydrophobicContact CG2-CB 4.23Å; V846-M948 PolarHBondContact N-O 2.89Å; V846-M948 PolarHBondContact O-N 2.85Å; L848-M948 HydrophobicContact CD1-CE 3.77Å; L848-M948 HydrophobicContact CD1-SD 3.57Å; L848-M948 VanDerWaalsContact CD1-SD 3.57Å; L848-M948 HydrophobicContact CD2-SD 4.33Å; L848-M948 HydrophobicContact CG-CE 4.18Å; L848-M948 HydrophobicContact CG-SD 3.69Å; F852-M948 HydrophobicContact CE2-CE 3.98Å; M948-I1000 HydrophobicContact CB-CD1 4.01Å; M948-I1000 HydrophobicContact CG-CD1 4.44Å; M948-I1000 HydrophobicContact SD-CD1 3.64Å
949D95.5Very high92Very high16 Ų1629.5 Ų29.59%0.08615%0.154CC..EExtended strand (participates in β ladder)trans-78.9122.1170.9-173.3-7.5000108.6R951 T999 I1000D949-R951 VanDerWaalsContact OD1-CG 3.31Å; D949-R951 WeakPolarHBondContact OD1-CG 3.33Å; D949-R951 IonicContact OD1-CZ 3.47Å; D949-R951 IonicContact OD1-NE 3.71Å; D949-R951 PolarHBondContact OD1-NE 3.42Å; D949-R951 IonicContact OD2-CZ 2.67Å; D949-R951 IonicContact OD2-NE 2.69Å; D949-R951 PolarHBondContact OD2-NE 3.33Å; D949-R951 IonicContact OD2-NH2 3.2Å; D949-R951 PolarHBondContact OD2-NH2 3.04Å; D949-T999 WeakPolarHBondContact O-CA 3.39Å; D949-I1000 PolarHBondContact O-N 3.43Å
950L97.1Very high91.9Very high0 Ų024.7 Ų24.70%013%0.129CC..EExtended strand (participates in β ladder)trans-123.9126.3-179.9-179.8141.4000109.9I831 F833 L844 V846 I1000 V1002 I1005I831-L950 HydrophobicContact CD1-CD1 3.55Å; F833-L950 HydrophobicContact CD1-CD1 4.46Å; F833-L950 HydrophobicContact CE1-CD1 4.09Å; F833-L950 HydrophobicContact CZ-CD1 4.25Å; F833-L950 HydrophobicContact CZ-CD2 4.17Å; L844-L950 HydrophobicContact CD1-CD2 4.28Å; L844-L950 PolarHBondContact N-O 2.99Å; L844-L950 PolarHBondContact O-N 2.93Å; V846-L950 HydrophobicContact CB-CB 4.5Å; V846-L950 HydrophobicContact CG1-CB 3.99Å; V846-L950 HydrophobicContact CG1-CD2 4.43Å; V846-L950 HydrophobicContact CG2-CB 3.65Å; V846-L950 HydrophobicContact CG2-CD1 4.08Å; V846-L950 HydrophobicContact CG2-CG 4.44Å; L950-I1000 WeakPolarHBondContact CA-O 3.44Å; L950-I1000 HydrophobicContact CD1-CB 4.48Å; L950-I1000 HydrophobicContact CD1-CG2 4.21Å; L950-V1002 HydrophobicContact CD1-CG1 4.03Å; L950-V1002 HydrophobicContact CD2-CG2 3.99Å; L950-V1002 HydrophobicContact CG-CG1 4.35Å; L950-V1002 HydrophobicContact CG-CG2 4.36Å; L950-I1005 HydrophobicContact CD2-CD1 3.33Å; L950-I1005 HydrophobicContact CD2-CG1 4.02Å
951R96.4Very high91.5Very high38 Ų3828 Ų2814%0.14315%0.147CC..EExtended strand (participates in β ladder)trans-128.6141-171.3-58-170.3-176.2-173.40.7112.7A799 A842 A843 D949 L953 T999 I1000 F1001 V1002A799-R951 VanDerWaalsContact CB-NH1 3.28Å; A842-R951 CarbonylContact O-C 3.57Å; A842-R951 VanDerWaalsContact O-CA 3.24Å; A842-R951 WeakPolarHBondContact O-CA 3.48Å; A843-R951 HydrophobicContact CB-CG 4.04Å; D949-R951 VanDerWaalsContact OD1-CG 3.31Å; D949-R951 WeakPolarHBondContact OD1-CG 3.33Å; D949-R951 IonicContact OD1-CZ 3.47Å; D949-R951 IonicContact OD1-NE 3.71Å; D949-R951 PolarHBondContact OD1-NE 3.42Å; D949-R951 IonicContact OD2-CZ 2.67Å; D949-R951 IonicContact OD2-NE 2.69Å; D949-R951 PolarHBondContact OD2-NE 3.33Å; D949-R951 IonicContact OD2-NH2 3.2Å; D949-R951 PolarHBondContact OD2-NH2 3.04Å; R951-L953 PolarHBondContact O-N 2.96Å; R951-T999 HydrophobicContact CB-CG2 4.36Å; R951-T999 HydrophobicContact CG-CG2 3.82Å; R951-I1000 PolarHBondContact N-O 3.34Å; R951-F1001 HydrophobicContact CB-CD1 4.26Å; R951-F1001 HydrophobicContact CB-CE1 4.29Å; R951-V1002 PolarHBondContact O-N 3.39Å
952I96.7Very high91.5Very high6 Ų626.4 Ų26.43%0.03114%0.14CC..EExtended strand (participates in β ladder)trans-80.1116.2171-60.3179.6000108.2A842 G954 L955 V1002 I1005 L1013 L1014A842-I952 PolarHBondContact O-N 3.43Å; I952-G954 PolarHBondContact O-N 3.46Å; I952-L955 HydrophobicContact CB-CB 4.06Å; I952-L955 HydrophobicContact CB-CD2 3.99Å; I952-L955 HydrophobicContact CD1-CD2 3.93Å; I952-L955 HydrophobicContact CG2-CB 3.71Å; I952-L955 HydrophobicContact CG2-CD2 3.85Å; I952-L955 HydrophobicContact CG2-CG 4.43Å; I952-L955 PolarHBondContact O-N 2.78Å; I952-V1002 WeakPolarHBondContact CA-O 3.45Å; I952-V1002 HydrophobicContact CG1-CG2 4.4Å; I952-I1005 HydrophobicContact CD1-CD1 4.35Å; I952-I1005 HydrophobicContact CD1-CG1 4.39Å; I952-I1005 HydrophobicContact CG1-CD1 4.23Å; I952-I1005 HydrophobicContact CG1-CG1 4.3Å; I952-L1013 HydrophobicContact CD1-CD2 3.99Å; I952-L1013 HydrophobicContact CD1-CG 4.16Å; I952-L1014 HydrophobicContact CG2-CD1 4.22Å
953L95.6Very high91.4Very high22 Ų2225.8 Ų25.812%0.11514%0.135CC..THydrogen-bonded Turntrans-57.5127.3-176.2-178.272000111.6R951 L955 F1001 V1002 C1029 Q1030 L1033R951-L953 PolarHBondContact O-N 2.96Å; L953-L955 PolarHBondContact O-N 3.23Å; L953-L955 VanDerWaalsContact O-N 3.11Å; L953-F1001 HydrophobicContact CD1-CB 4.42Å; L953-F1001 HydrophobicContact CD1-CD1 4.05Å; L953-F1001 HydrophobicContact CD1-CG 4.45Å; L953-V1002 WeakPolarHBondContact CB-O 3.37Å; L953-V1002 PolarHBondContact N-O 3.23Å; L953-C1029 HydrophobicContact CD1-CB 4.06Å; L953-C1029 HydrophobicContact CG-CB 4.27Å; L953-Q1030 HydrophobicContact CD1-CB 4.42Å; L953-Q1030 HydrophobicContact CD2-CB 4.05Å; L953-L1033 HydrophobicContact CD1-CD1 3.76Å
954G93.6Very high91.3Very high0 Ų025.8 Ų25.80%013%0.131CC..THydrogen-bonded Turntrans72.5-8.4175.500000116.5I952 Q956 D1026 C1029I952-G954 PolarHBondContact O-N 3.46Å; G954-Q956 PolarHBondContact O-N 2.85Å; G954-D1026 PolarHBondContact O-N 2.56Å; G954-C1029 VanDerWaalsContact CA-CB 3.47Å; G954-C1029 PolarHBondContact N-SG 3.39Å; G954-C1029 VanDerWaalsContact N-SG 3.44Å
955L95.4Very high90.6Very high0 Ų025.4 Ų25.40%013%0.129CC..EExtended strand (participates in β ladder)trans-77109.8-176.6-179.661.2000111.2A842 I952 L953 W964 L1014 V1017 I1018A842-L955 HydrophobicContact CB-CB 4.03Å; A842-L955 HydrophobicContact CB-CD2 3.93Å; A842-L955 HydrophobicContact CB-CG 3.92Å; A842-L955 VanDerWaalsContact CB-O 3.27Å; A842-L955 WeakPolarHBondContact CB-O 3.45Å; I952-L955 HydrophobicContact CB-CB 4.06Å; I952-L955 HydrophobicContact CB-CD2 3.99Å; I952-L955 HydrophobicContact CD1-CD2 3.93Å; I952-L955 HydrophobicContact CG2-CB 3.71Å; I952-L955 HydrophobicContact CG2-CD2 3.85Å; I952-L955 HydrophobicContact CG2-CG 4.43Å; I952-L955 PolarHBondContact O-N 2.78Å; L953-L955 PolarHBondContact O-N 3.23Å; L953-L955 VanDerWaalsContact O-N 3.11Å; L955-W964 HydrophobicContact CD1-CH2 4.37Å; L955-W964 HydrophobicContact CD1-CZ2 4.4Å; L955-W964 HydrophobicContact CG-CH2 4.43Å; L955-W964 HydrophobicContact CG-CZ2 4.05Å; L955-L1014 HydrophobicContact CB-CD1 4.49Å; L955-L1014 HydrophobicContact CD1-CD1 3.88Å; L955-L1014 HydrophobicContact CD2-CD1 3.88Å; L955-L1014 HydrophobicContact CG-CD1 4.28Å; L955-V1017 HydrophobicContact CD1-CG1 4.34Å; L955-V1017 HydrophobicContact CD2-CG1 4.22Å; L955-I1018 HydrophobicContact CD1-CG1 4.5Å
956Q91.8Very high90Very high0 Ų027.9 Ų27.90%015%0.145CC..EExtended strand (participates in β ladder)trans-133.1154.3-177.673.6-161.8-82.900111.3F800 G954 S1023 H1024 D1026F800-Q956 HydrophobicContact CE1-CB 3.92Å; F800-Q956 HydrophobicContact CZ-CB 4.08Å; G954-Q956 PolarHBondContact O-N 2.85Å; Q956-S1023 CarbonylContact O-C 3.54Å; Q956-S1023 VanDerWaalsContact O-CA 3.29Å; Q956-S1023 WeakPolarHBondContact O-CA 3.41Å; Q956-S1023 WeakPolarHBondContact O-CB 3.49Å; Q956-H1024 HydrophobicContact CG-CB 4.48Å; Q956-H1024 PolarHBondContact N-O 2.85Å; Q956-H1024 PolarHBondContact O-N 3.32Å; Q956-D1026 VanDerWaalsContact NE2-CB 3.31Å
957P89Confident89.1Confident7 Ų729.2 Ų29.25%0.04515%0.152CC..EExtended strand (participates in β ladder)trans-73.8162173.731.8-30.5000110.1S959 R962 W964P957-S959 PolarHBondContact O-N 2.89Å; P957-R962 VanDerWaalsContact CG-C 3.46Å; P957-W964 HydrophobicContact CB-CD2 3.91Å; P957-W964 HydrophobicContact CB-CE3 3.97Å; P957-W964 HydrophobicContact CB-CG 4.4Å; P957-W964 HydrophobicContact CB-CZ2 4.47Å; P957-W964 HydrophobicContact CB-CZ3 4.32Å; P957-W964 HydrophobicContact CG-CD2 4.09Å; P957-W964 HydrophobicContact CG-CG 4.16Å
958E81.6Confident88.5Confident67 Ų6729.2 Ų29.231%0.31315%0.152SC..SBendtrans-73.755175.6-69.5-175.4159.100113.1M761 R1022M761-E958 HydrophobicContact CE-CB 3.74Å; M761-E958 HydrophobicContact CE-CG 4.05Å; E958-R1022 HydrophobicContact CB-CB 4.14Å; E958-R1022 HydrophobicContact CG-CB 4.11Å; E958-R1022 PolarHBondContact N-O 2.86Å; E958-R1022 VanDerWaalsContact OE2-CB 3.32Å; E958-R1022 WeakPolarHBondContact OE2-CB 3.39Å; E958-R1022 WeakPolarHBondContact OE2-CD 3.43Å
959S84.4Confident88.2Confident35 Ų3532.7 Ų32.725%0.24517%0.165CC..SBendtrans-143.3147.5176.468.60000111.7P957 D961 R962P957-S959 PolarHBondContact O-N 2.89Å; S959-D961 VanDerWaalsContact C-N 3.33Å; S959-R962 PolarHBondContact O-N 2.84Å; S959-R962 PolarHBondContact OG-N 3.33Å
960L87Confident87.6Confident2 Ų234.4 Ų34.41%0.0118%0.175CC..THydrogen-bonded Turntrans-69.4-30.7178.2-63.3-170.9000112.8W754 C757 D758 M761 L772 Q796 L804 R962W754-L960 HydrophobicContact CD2-CD1 3.92Å; W754-L960 HydrophobicContact CG-CD1 4.22Å; W754-L960 HydrophobicContact CH2-CD1 4.46Å; W754-L960 HydrophobicContact CZ2-CB 3.93Å; W754-L960 HydrophobicContact CZ2-CD1 3.81Å; W754-L960 HydrophobicContact CZ2-CG 4.49Å; C757-L960 HydrophobicContact CB-CD1 3.83Å; C757-L960 HydrophobicContact CB-CD2 4.22Å; D758-L960 HydrophobicContact CB-CD1 3.89Å; M761-L960 HydrophobicContact CG-CD2 4.17Å; L772-L960 HydrophobicContact CD2-CD2 3.65Å; Q796-L960 PolarHBondContact NE2-O 2.8Å; Q796-L960 VanDerWaalsContact NE2-O 3.16Å; L804-L960 HydrophobicContact CD1-CD2 4.44Å; L960-R962 PolarHBondContact O-N 2.85Å
961D83.8Confident87Confident74 Ų7436.1 Ų36.140%0.39618%0.184SC..THydrogen-bonded Turntrans-70.8-16.1174.7-57.8-48.8000112.2Q796 S959 I963Q796-D961 PolarHBondContact NE2-O 2.92Å; S959-D961 VanDerWaalsContact C-N 3.33Å; D961-I963 HydrophobicContact CB-CD1 4.08Å; D961-I963 HydrophobicContact CB-CG1 4.06Å; D961-I963 PolarHBondContact O-N 2.86Å
962R88.8Confident86.7Confident15 Ų1534.3 Ų34.36%0.05718%0.177CC..  trans56.526.4-179.2-59.7178.9169.4154.3-20.8114.2F800 D802 P957 S959 L960F800-R962 VanDerWaalsContact CD2-CD 3.42Å; F800-R962 HydrophobicContact CE2-CB 4.11Å; F800-R962 VanDerWaalsContact CE2-CD 3.41Å; F800-R962 HydrophobicContact CE2-CG 4.39Å; D802-R962 PolarHBondContact O-NH1 3.43Å; D802-R962 VanDerWaalsContact O-NH1 3.13Å; D802-R962 IonicContact OD1-CZ 3.6Å; D802-R962 IonicContact OD1-NH1 3.45Å; D802-R962 PolarHBondContact OD1-NH1 2.98Å; D802-R962 IonicContact OD1-NH2 3.56Å; D802-R962 PolarHBondContact OD1-NH2 2.81Å; D802-R962 IonicContact OD2-NH2 3.68Å; D802-R962 PolarHBondContact OD2-NH2 2.78Å; P957-R962 VanDerWaalsContact CG-C 3.46Å; S959-R962 PolarHBondContact O-N 2.84Å; S959-R962 PolarHBondContact OG-N 3.33Å; L960-R962 PolarHBondContact O-N 2.85Å
963I85.7Confident86.2Confident125 Ų12538.7 Ų38.764%0.64119%0.193SC*.PPolyproline II helixtrans-88.7125177.8-58.4175.1000108.9D961D961-I963 HydrophobicContact CB-CD1 4.08Å; D961-I963 HydrophobicContact CB-CG1 4.06Å; D961-I963 PolarHBondContact O-N 2.86Å
964W86.3Confident85.7Confident28 Ų2844.5 Ų44.511%0.10622%0.217CC..PPolyproline II helixtrans-80.2140172-70.395.5000110.6P841 A842 L955 P957 A968 V1017 F1021 S1023P841-W964 HydrophobicContact CB-CD2 4.18Å; P841-W964 HydrophobicContact CB-CE3 4.07Å; P841-W964 HydrophobicContact CB-CH2 4.02Å; P841-W964 HydrophobicContact CB-CZ2 4.17Å; P841-W964 HydrophobicContact CB-CZ3 3.98Å; P841-W964 HydrophobicContact CG-CD2 3.85Å; P841-W964 HydrophobicContact CG-CE3 3.6Å; P841-W964 HydrophobicContact CG-CG 4.36Å; P841-W964 HydrophobicContact CG-CH2 4.44Å; P841-W964 HydrophobicContact CG-CZ3 3.91Å; A842-W964 HydrophobicContact CB-CZ2 4.23Å; L955-W964 HydrophobicContact CD1-CH2 4.37Å; L955-W964 HydrophobicContact CD1-CZ2 4.4Å; L955-W964 HydrophobicContact CG-CH2 4.43Å; L955-W964 HydrophobicContact CG-CZ2 4.05Å; P957-W964 HydrophobicContact CB-CD2 3.91Å; P957-W964 HydrophobicContact CB-CE3 3.97Å; P957-W964 HydrophobicContact CB-CG 4.4Å; P957-W964 HydrophobicContact CB-CZ2 4.47Å; P957-W964 HydrophobicContact CB-CZ3 4.32Å; P957-W964 HydrophobicContact CG-CD2 4.09Å; P957-W964 HydrophobicContact CG-CG 4.16Å; W964-A968 HydrophobicContact CE3-CB 4.29Å; W964-V1017 HydrophobicContact CH2-CG1 3.67Å; W964-V1017 HydrophobicContact CZ3-CG1 4.08Å; W964-F1021 HydrophobicContact CZ3-CB 4.12Å; W964-S1023 VanDerWaalsContact CH2-CB 3.48Å
965P78.3Confident85.2Confident49 Ų4946.7 Ų46.732%0.31823%0.229SC..PPolyproline II helixtrans-69.7146.5174.629.1-33.5000111.2D967 A968 R969P965-D967 PolarHBondContact O-N 3.2Å; P965-D967 VanDerWaalsContact O-N 3.16Å; P965-A968 HydrophobicContact CG-CB 3.92Å; P965-A968 WeakPolarHBondContact O-CB 3.41Å; P965-A968 PolarHBondContact O-N 2.87Å; P965-R969 PolarHBondContact O-N 3.14Å
966D79.3Confident84.9Confident95 Ų9547 Ų4751%0.50823%0.23SC..Hα-helixtrans-54.9-34.8179.3-73.8-49.3000112.7A968 R969 N970D966-A968 VanDerWaalsContact C-N 3.33Å; D966-A968 PolarHBondContact O-N 2.91Å; D966-R969 PolarHBondContact O-N 3.37Å; D966-R969 IonicContact OD1-CZ 2.72Å; D966-R969 IonicContact OD1-NH1 3.82Å; D966-R969 PolarHBondContact OD1-NH1 2.89Å; D966-R969 IonicContact OD1-NH2 3.08Å; D966-R969 PolarHBondContact OD1-NH2 2.81Å; D966-N970 VanDerWaalsContact O-CB 3.24Å; D966-N970 WeakPolarHBondContact O-CB 3.29Å; D966-N970 PolarHBondContact O-N 3.46Å; D966-N970 PolarHBondContact O-ND2 3.36Å; D966-N970 VanDerWaalsContact O-ND2 3.15Å
967D74.4Confident84.6Confident33 Ų3347.9 Ų47.918%0.17623%0.234CC..Hα-helixtrans-59.3-39.1174.9-87.18.5000112.9P965 N970 L971P965-D967 PolarHBondContact O-N 3.2Å; P965-D967 VanDerWaalsContact O-N 3.16Å; D967-N970 PolarHBondContact O-N 3.26Å; D967-L971 VanDerWaalsContact O-CB 3.24Å; D967-L971 WeakPolarHBondContact O-CB 3.27Å; D967-L971 PolarHBondContact O-N 3.5Å
968A83.2Confident84Confident1 Ų155.9 Ų55.91%0.00826%0.263CS..Hα-helixtrans-69.7-44.4178.500000111P841 W964 P965 D966 N970 L971 V972 F1021P841-A968 HydrophobicContact CG-CB 3.84Å; W964-A968 HydrophobicContact CE3-CB 4.29Å; P965-A968 HydrophobicContact CG-CB 3.92Å; P965-A968 WeakPolarHBondContact O-CB 3.41Å; P965-A968 PolarHBondContact O-N 2.87Å; D966-A968 VanDerWaalsContact C-N 3.33Å; D966-A968 PolarHBondContact O-N 2.91Å; A968-N970 VanDerWaalsContact C-N 3.35Å; A968-N970 PolarHBondContact O-N 2.8Å; A968-L971 PolarHBondContact O-N 2.86Å; A968-V972 WeakPolarHBondContact O-CB 3.45Å; A968-V972 WeakPolarHBondContact O-CG2 3.27Å; A968-V972 PolarHBondContact O-N 3.06Å; A968-F1021 VanDerWaalsContact CA-CE1 3.49Å; A968-F1021 HydrophobicContact CB-CD1 3.66Å; A968-F1021 HydrophobicContact CB-CD2 4.44Å; A968-F1021 HydrophobicContact CB-CE1 3.47Å; A968-F1021 VanDerWaalsContact CB-CE1 3.47Å; A968-F1021 HydrophobicContact CB-CE2 4.29Å; A968-F1021 HydrophobicContact CB-CG 4.14Å; A968-F1021 HydrophobicContact CB-CZ 3.79Å
969R88Confident82.8Confident73 Ų7357.8 Ų57.828%0.27527%0.268SS..Hα-helixtrans-57.7-46.9171.2-177.7-168.270.3-139.5-11.9111.2C838 Y839 P965 D966 R973C838-R969 WeakPolarHBondContact O-CD 3.3Å; C838-R969 WeakPolarHBondContact O-CG 3.37Å; Y839-R969 WeakPolarHBondContact O-CD 3.34Å; Y839-R969 WeakPolarHBondContact O-CG 3.38Å; P965-R969 PolarHBondContact O-N 3.14Å; D966-R969 PolarHBondContact O-N 3.37Å; D966-R969 IonicContact OD1-CZ 2.72Å; D966-R969 IonicContact OD1-NH1 3.82Å; D966-R969 PolarHBondContact OD1-NH1 2.89Å; D966-R969 IonicContact OD1-NH2 3.08Å; D966-R969 PolarHBondContact OD1-NH2 2.81Å; R969-R973 WeakPolarHBondContact O-CB 3.35Å; R969-R973 PolarHBondContact O-N 3.15Å
970N83.6Confident81Confident52 Ų5261.1 Ų61.128%0.27829%0.287SS..Hα-helixtrans-65.7-41.7-177.9-78.7-32.6000112.3D966 D967 A968 R973 K974D966-N970 VanDerWaalsContact O-CB 3.24Å; D966-N970 WeakPolarHBondContact O-CB 3.29Å; D966-N970 PolarHBondContact O-N 3.46Å; D966-N970 PolarHBondContact O-ND2 3.36Å; D966-N970 VanDerWaalsContact O-ND2 3.15Å; D967-N970 PolarHBondContact O-N 3.26Å; A968-N970 VanDerWaalsContact C-N 3.35Å; A968-N970 PolarHBondContact O-N 2.8Å; N970-R973 PolarHBondContact O-N 3.34Å; N970-R973 PolarHBondContact OD1-NH2 2.87Å; N970-K974 VanDerWaalsContact O-CB 3.3Å; N970-K974 WeakPolarHBondContact O-CB 3.32Å; N970-K974 PolarHBondContact O-N 2.83Å
971L84Confident79Confident36 Ų3668.4 Ų68.419%0.18832%0.32CS..Hα-helixtrans-67.9-48.2176.7-169.3158.7000110.4D967 A968 R973 K974 D975 F1016 F1021D967-L971 VanDerWaalsContact O-CB 3.24Å; D967-L971 WeakPolarHBondContact O-CB 3.27Å; D967-L971 PolarHBondContact O-N 3.5Å; A968-L971 PolarHBondContact O-N 2.86Å; L971-R973 VanDerWaalsContact C-N 3.3Å; L971-R973 PolarHBondContact O-N 3.27Å; L971-K974 PolarHBondContact O-N 3.41Å; L971-K974 VanDerWaalsContact O-N 3.16Å; L971-D975 HydrophobicContact CD2-CB 4.06Å; L971-D975 WeakPolarHBondContact O-CA 3.45Å; L971-D975 VanDerWaalsContact O-CB 3.28Å; L971-D975 WeakPolarHBondContact O-CB 3.15Å; L971-D975 PolarHBondContact O-N 3.39Å; L971-F1016 HydrophobicContact CD2-CE1 3.7Å; L971-F1016 HydrophobicContact CD2-CZ 3.51Å; L971-F1021 HydrophobicContact CB-CZ 4.08Å; L971-F1021 HydrophobicContact CD1-CZ 4.29Å; L971-F1021 HydrophobicContact CD2-CZ 3.91Å; L971-F1021 HydrophobicContact CG-CZ 4.31Å
972V89.4Confident77.3Confident0 Ų072.8 Ų72.80%034%0.344CS..Iπ-helixtrans-57.3-44.1174.1169.90000111.3P841 A968 K974 F976 F977 L1013 F1016 V1017 F1021P841-V972 HydrophobicContact CB-CG2 4.09Å; P841-V972 HydrophobicContact CG-CG2 4.02Å; A968-V972 WeakPolarHBondContact O-CB 3.45Å; A968-V972 WeakPolarHBondContact O-CG2 3.27Å; A968-V972 PolarHBondContact O-N 3.06Å; V972-K974 PolarHBondContact O-N 3.33Å; V972-F976 HydrophobicContact CG1-CB 4.32Å; V972-F976 WeakPolarHBondContact O-CA 3.4Å; V972-F976 VanDerWaalsContact O-CB 3.32Å; V972-F976 WeakPolarHBondContact O-CB 3.18Å; V972-F976 PolarHBondContact O-N 3.34Å; V972-F977 HydrophobicContact CG1-CD2 3.95Å; V972-F977 HydrophobicContact CG1-CE2 3.53Å; V972-F977 HydrophobicContact CG1-CZ 4.28Å; V972-F977 PolarHBondContact O-N 2.98Å; V972-F977 VanDerWaalsContact O-N 3.08Å; V972-L1013 HydrophobicContact CG1-CD1 3.75Å; V972-F1016 HydrophobicContact CG2-CD1 4.23Å; V972-F1016 HydrophobicContact CG2-CE1 3.91Å; V972-V1017 HydrophobicContact CG2-CG2 3.96Å; V972-F1021 HydrophobicContact CG2-CE2 3.88Å; V972-F1021 HydrophobicContact CG2-CZ 4.42Å
973R88.2Confident75.6Confident99 Ų9978 Ų7837%0.37437%0.367SS..Iπ-helixtrans-60.5-41.4175.9-176.4176.564.6155.2-3.9113C838 R969 N970 L971 R978C838-R973 HydrophobicContact CB-CB 4.5Å; R969-R973 WeakPolarHBondContact O-CB 3.35Å; R969-R973 PolarHBondContact O-N 3.15Å; N970-R973 PolarHBondContact O-N 3.34Å; N970-R973 PolarHBondContact OD1-NH2 2.87Å; L971-R973 VanDerWaalsContact C-N 3.3Å; L971-R973 PolarHBondContact O-N 3.27Å; R973-R978 VanDerWaalsContact O-CB 3.29Å; R973-R978 WeakPolarHBondContact O-CB 3.42Å; R973-R978 WeakPolarHBondContact O-CD 3.37Å; R973-R978 WeakPolarHBondContact O-CG 3.47Å; R973-R978 PolarHBondContact O-N 2.89Å; R973-R978 VanDerWaalsContact O-N 3.11Å
974K83.9Confident74.3Confident144 Ų14481.6 Ų81.663%0.62637%0.372SS*.Iπ-helixtrans-80.6-45.7-177.7-171.9-171.1173.9-168.40112.5N970 L971 V972 R978 R979N970-K974 VanDerWaalsContact O-CB 3.3Å; N970-K974 WeakPolarHBondContact O-CB 3.32Å; N970-K974 PolarHBondContact O-N 2.83Å; L971-K974 PolarHBondContact O-N 3.41Å; L971-K974 VanDerWaalsContact O-N 3.16Å; V972-K974 PolarHBondContact O-N 3.33Å; K974-R978 CarbonylContact O-C 3.25Å; K974-R978 VanDerWaalsContact O-C 3.24Å; K974-R978 WeakPolarHBondContact O-CB 3.37Å; K974-R979 PolarHBondContact O-N 2.9Å
975D84Confident73.1Confident45 Ų4584.8 Ų84.824%0.24139%0.392CS..Iπ-helixtrans-104.3-16.8-164.3-76.433.4000113.5L971 R979 F1016L971-D975 HydrophobicContact CD2-CB 4.06Å; L971-D975 WeakPolarHBondContact O-CA 3.45Å; L971-D975 VanDerWaalsContact O-CB 3.28Å; L971-D975 WeakPolarHBondContact O-CB 3.15Å; L971-D975 PolarHBondContact O-N 3.39Å; D975-R979 WeakPolarHBondContact O-CB 3.3Å; D975-R979 WeakPolarHBondContact O-CD 3.42Å; D975-R979 WeakPolarHBondContact O-CG 3.49Å; D975-R979 PolarHBondContact O-NE 3.08Å; D975-R979 PolarHBondContact O-NH1 3.47Å; D975-R979 IonicContact OD2-NH2 3.62Å; D975-F1016 HydrophobicContact CB-CE2 4.34Å; D975-F1016 HydrophobicContact CB-CZ 3.83Å
976F87.4Confident73.2Confident7 Ų783.8 Ų83.83%0.03138%0.382CS..Iπ-helixtrans-102.6-62.1168.3-167.3-89.3000110.1V972 R986 F988 N1011 L1013 F1016V972-F976 HydrophobicContact CG1-CB 4.32Å; V972-F976 WeakPolarHBondContact O-CA 3.4Å; V972-F976 VanDerWaalsContact O-CB 3.32Å; V972-F976 WeakPolarHBondContact O-CB 3.18Å; V972-F976 PolarHBondContact O-N 3.34Å; F976-R986 PolarHBondContact O-NH1 3.44Å; F976-F988 HydrophobicContact CD1-CE1 4.37Å; F976-F988 HydrophobicContact CE1-CD1 4.21Å; F976-F988 AromaticContact CE1-CE1 3.96Å; F976-F988 HydrophobicContact CE1-CE1 3.96Å; F976-N1011 HydrophobicContact CE2-CB 4.06Å; F976-N1011 HydrophobicContact CZ-CB 4.48Å; F976-N1011 WeakPolarHBondContact CZ-O 3.27Å; F976-L1013 HydrophobicContact CB-CD1 4.14Å; F976-L1013 HydrophobicContact CD1-CB 4.35Å; F976-L1013 HydrophobicContact CD1-CD1 3.82Å; F976-L1013 HydrophobicContact CD1-CG 4.45Å; F976-L1013 HydrophobicContact CD2-CB 4.49Å; F976-L1013 HydrophobicContact CD2-CD1 3.99Å; F976-L1013 HydrophobicContact CE1-CB 3.85Å; F976-L1013 HydrophobicContact CE1-CD1 4.21Å; F976-L1013 HydrophobicContact CE1-CG 4.4Å; F976-L1013 HydrophobicContact CE2-CB 4.01Å; F976-L1013 HydrophobicContact CE2-CD1 4.37Å; F976-L1013 HydrophobicContact CG-CD1 3.7Å; F976-L1013 HydrophobicContact CZ-CB 3.66Å; F976-L1013 HydrophobicContact CZ-CD1 4.48Å; F976-F1016 HydrophobicContact CB-CD1 4.31Å; F976-F1016 HydrophobicContact CB-CE1 4.23Å; F976-F1016 HydrophobicContact CB-CE2 4.47Å; F976-F1016 HydrophobicContact CB-CZ 4.3Å; F976-F1016 HydrophobicContact CD2-CB 3.93Å; F976-F1016 HydrophobicContact CD2-CD1 4.35Å; F976-F1016 AromaticContact CD2-CD2 3.94Å; F976-F1016 HydrophobicContact CD2-CD2 3.94Å; F976-F1016 AromaticContact CD2-CG 3.82Å; F976-F1016 HydrophobicContact CD2-CG 3.82Å; F976-F1016 HydrophobicContact CE2-CB 4.28Å
977F86.1Confident73.6Confident19 Ų1982.9 Ų82.98%0.08337%0.374CS..Iπ-helixtrans-71.9-39-174.5-61.7-54.3000113.7V835 C838 L844 V972 R986 F988 L1013V835-F977 HydrophobicContact CB-CD1 4.46Å; V835-F977 HydrophobicContact CG1-CD2 4.49Å; V835-F977 HydrophobicContact CG2-CD1 3.93Å; V835-F977 HydrophobicContact CG2-CE1 3.76Å; V835-F977 HydrophobicContact CG2-CZ 4.31Å; C838-F977 HydrophobicContact CB-CD2 4.09Å; C838-F977 HydrophobicContact CB-CE2 4.01Å; L844-F977 HydrophobicContact CD1-CE1 4.29Å; L844-F977 HydrophobicContact CD1-CE2 4.4Å; L844-F977 HydrophobicContact CD1-CZ 3.65Å; L844-F977 HydrophobicContact CD2-CE2 3.64Å; L844-F977 HydrophobicContact CD2-CZ 3.73Å; L844-F977 HydrophobicContact CG-CZ 4.38Å; V972-F977 HydrophobicContact CG1-CD2 3.95Å; V972-F977 HydrophobicContact CG1-CE2 3.53Å; V972-F977 HydrophobicContact CG1-CZ 4.28Å; V972-F977 PolarHBondContact O-N 2.98Å; V972-F977 VanDerWaalsContact O-N 3.08Å; F977-R986 PolarHBondContact O-NH1 3.17Å; F977-F988 HydrophobicContact CD1-CD1 4.29Å; F977-F988 AromaticContact CD1-CE1 3.7Å; F977-F988 HydrophobicContact CD1-CE1 3.7Å; F977-F988 HydrophobicContact CD1-CE2 4.17Å; F977-F988 AromaticContact CD1-CZ 3.65Å; F977-F988 HydrophobicContact CD1-CZ 3.65Å; F977-F988 HydrophobicContact CE1-CD1 4.33Å; F977-F988 HydrophobicContact CE1-CE1 4.16Å; F977-F988 HydrophobicContact CE1-CZ 4.45Å; F977-L1013 HydrophobicContact CE1-CD2 4.23Å; F977-L1013 HydrophobicContact CZ-CD2 3.64Å
978R76.1Confident74.5Confident174 Ų17481.6 Ų81.666%0.65737%0.367SS*.THydrogen-bonded Turntrans-99.810.6-178.1-66.6173.5177.3-160.2-2115.4R973 K974 T980R973-R978 VanDerWaalsContact O-CB 3.29Å; R973-R978 WeakPolarHBondContact O-CB 3.42Å; R973-R978 WeakPolarHBondContact O-CD 3.37Å; R973-R978 WeakPolarHBondContact O-CG 3.47Å; R973-R978 PolarHBondContact O-N 2.89Å; R973-R978 VanDerWaalsContact O-N 3.11Å; K974-R978 CarbonylContact O-C 3.25Å; K974-R978 VanDerWaalsContact O-C 3.24Å; K974-R978 WeakPolarHBondContact O-CB 3.37Å; R978-T980 PolarHBondContact O-N 2.7Å
979R57.4Low75.1Confident108 Ų10884.3 Ų84.341%0.40838%0.38SS..  trans-60.9110.7179.9-122.4-178.9-148.4151.49.7110.6K974 D975K974-R979 PolarHBondContact O-N 2.9Å; D975-R979 WeakPolarHBondContact O-CB 3.3Å; D975-R979 WeakPolarHBondContact O-CD 3.42Å; D975-R979 WeakPolarHBondContact O-CG 3.49Å; D975-R979 PolarHBondContact O-NE 3.08Å; D975-R979 PolarHBondContact O-NH1 3.47Å; D975-R979 IonicContact OD2-NH2 3.62Å
980T47.1Very low75.5Confident105 Ų10580.9 Ų80.964%0.64437%0.366SS*.SBendtrans21.3113.4155.847.20000118.5R978R978-T980 PolarHBondContact O-N 2.7Å
981H43.7Very low76.2Confident154 Ų15481.9 Ų81.971%0.71338%0.375SS*.SBendtrans16742.3132.7-87.9-57.5000113.9K983H981-K983 PolarHBondContact O-N 3.31Å
982N47.7Very low76.8Confident167 Ų16780.4 Ų80.489%0.89337%0.367SS*.  trans55.6-2.7177.6-70.1-15.7000117.6R984N982-R984 PolarHBondContact O-N 3.35Å
983K54.7Low77.1Confident123 Ų12383.6 Ų83.654%0.53538%0.382SS..  trans-65.193.9173.9-70.4-179-178.7172.70109.2H981 N985 R986H981-K983 PolarHBondContact O-N 3.31Å; K983-N985 PolarHBondContact O-N 3.1Å; K983-R986 HydrophobicContact CB-CG 4.26Å
984R57.2Low77.3Confident201 Ų20179.7 Ų79.776%0.75837%0.37SS*.SBendtrans-59.1-29.2179.7-67.6-179.3176.6176.4-1.9112R857 N982R857-R984 PolarHBondContact NH2-O 2.94Å; N982-R984 PolarHBondContact O-N 3.35Å
985N62.4Low77.8Confident95 Ų9573.5 Ų73.551%0.50835%0.346SS..  trans-115.386.5177.9-61.3-7.9000110.1R857 K983R857-N985 PolarHBondContact NE-OD1 3.48Å; R857-N985 VanDerWaalsContact NE-OD1 3.07Å; R857-N985 PolarHBondContact NH2-OD1 2.89Å; K983-N985 PolarHBondContact O-N 3.1Å
986R79.4Confident78.2Confident29 Ų2972.1 Ų72.111%0.10934%0.338CS..  trans-83.5132163.9-64.1-172.975.7-154.86.5108.7L834 F976 F977 K983 F988 D1007L834-R986 WeakPolarHBondContact CD1-O 3.49Å; F976-R986 PolarHBondContact O-NH1 3.44Å; F977-R986 PolarHBondContact O-NH1 3.17Å; K983-R986 HydrophobicContact CB-CG 4.26Å; R986-F988 HydrophobicContact CB-CE2 4Å; R986-F988 HydrophobicContact CB-CZ 4.08Å; R986-D1007 IonicContact CZ-OD2 2.78Å; R986-D1007 IonicContact NH2-OD2 3.58Å; R986-D1007 PolarHBondContact NH2-OD2 2.72Å
987Q86.7Confident78.2Confident75 Ų7574.4 Ų74.435%0.3535%0.349SS..  trans-98.5158.9169.7-71.6-174-11.100109.7D1008Q987-D1008 WeakPolarHBondContact CB-OD1 3.46Å; Q987-D1008 PolarHBondContact N-OD2 3.17Å; Q987-D1008 VanDerWaalsContact O-CG 3.3Å
988F94Very high78.3Confident6 Ų676.8 Ų76.83%0.02636%0.357CS..EExtended strand (participates in β ladder)trans-133.7151175.9-60.3-88000107.8R832 F833 V835 F976 F977 R986 I1005 Y1006 D1007R832-F988 WeakPolarHBondContact CA-O 3.28Å; F833-F988 HydrophobicContact CD2-CB 4.06Å; F833-F988 HydrophobicContact CE1-CB 4.39Å; F833-F988 HydrophobicContact CE2-CB 3.63Å; F833-F988 HydrophobicContact CE2-CG 4.49Å; F833-F988 HydrophobicContact CZ-CB 3.83Å; F833-F988 PolarHBondContact N-O 3.31Å; F833-F988 PolarHBondContact O-N 3.08Å; V835-F988 HydrophobicContact CG2-CD2 3.8Å; V835-F988 HydrophobicContact CG2-CE2 4.14Å; V835-F988 HydrophobicContact CG2-CG 4.31Å; F976-F988 HydrophobicContact CD1-CE1 4.37Å; F976-F988 HydrophobicContact CE1-CD1 4.21Å; F976-F988 AromaticContact CE1-CE1 3.96Å; F976-F988 HydrophobicContact CE1-CE1 3.96Å; F977-F988 HydrophobicContact CD1-CD1 4.29Å; F977-F988 AromaticContact CD1-CE1 3.7Å; F977-F988 HydrophobicContact CD1-CE1 3.7Å; F977-F988 HydrophobicContact CD1-CE2 4.17Å; F977-F988 AromaticContact CD1-CZ 3.65Å; F977-F988 HydrophobicContact CD1-CZ 3.65Å; F977-F988 HydrophobicContact CE1-CD1 4.33Å; F977-F988 HydrophobicContact CE1-CE1 4.16Å; F977-F988 HydrophobicContact CE1-CZ 4.45Å; R986-F988 HydrophobicContact CB-CE2 4Å; R986-F988 HydrophobicContact CB-CZ 4.08Å; F988-I1005 HydrophobicContact CB-CG2 4.14Å; F988-I1005 HydrophobicContact CD1-CG2 4.43Å; F988-Y1006 CarbonylContact C-O 3.6Å; F988-Y1006 VanDerWaalsContact CA-O 3.28Å; F988-Y1006 WeakPolarHBondContact CA-O 3.28Å; F988-D1007 HydrophobicContact CD1-CB 3.73Å; F988-D1007 HydrophobicContact CE1-CB 3.6Å
989H95.9Very high79.2Confident59 Ų5969.1 Ų69.127%0.27333%0.33SS..EExtended strand (participates in β ladder)trans-134.3149.4179.563.7-84.6000111.9L830 I831 R832 Y1006 D1007L830-H989 HydrophobicContact CD1-CB 4.25Å; I831-H989 WeakPolarHBondContact O-CA 3.5Å; I831-H989 WeakPolarHBondContact O-CB 3.28Å; R832-H989 HydrophobicContact CG-CB 4.4Å; H989-Y1006 PolarHBondContact N-O 3.2Å; H989-Y1006 WeakPolarHBondContact NE2-CB 3.29Å; H989-Y1006 PolarHBondContact O-N 2.87Å; H989-D1007 PolarHBondContact CE1-O 2.87Å
990A97.4Very high81Confident0 Ų064 Ų640%031%0.31CS..EExtended strand (participates in β ladder)trans-152.5158.4-179.900000110.5I831 F833 V1002 N1004 I1005I831-A990 HydrophobicContact CG1-CB 4.34Å; I831-A990 VanDerWaalsContact CG1-O 3.29Å; I831-A990 WeakPolarHBondContact CG1-O 3.44Å; I831-A990 PolarHBondContact N-O 3.29Å; I831-A990 PolarHBondContact O-N 3.42Å; I831-A990 VanDerWaalsContact O-N 3.16Å; F833-A990 HydrophobicContact CE1-CB 3.78Å; F833-A990 HydrophobicContact CZ-CB 4.35Å; A990-V1002 HydrophobicContact CB-CB 3.97Å; A990-V1002 HydrophobicContact CB-CG1 3.69Å; A990-V1002 HydrophobicContact CB-CG2 4.19Å; A990-N1004 VanDerWaalsContact CB-O 3.27Å; A990-N1004 WeakPolarHBondContact CB-O 3.46Å; A990-I1005 HydrophobicContact CB-CG1 4.42Å
991V97.1Very high83.4Confident74 Ų7459 Ų5945%0.44828%0.28SS..EExtended strand (participates in β ladder)trans-103.4115.6174.6-177.50000109.1G829 L830 Q993G829-V991 WeakPolarHBondContact O-CA 3.39Å; L830-V991 HydrophobicContact CD1-CG2 4.05Å; V991-Q993 PolarHBondContact O-N 3.25Å; V991-Q993 PolarHBondContact O-NE2 2.76Å
992V97Very high86Confident5 Ų551.7 Ų51.73%0.0325%0.246CC..EExtended strand (participates in β ladder)trans-63.6127.3176.8-179.30000109.6P826 G829 I831 I1000P826-V992 HydrophobicContact CB-CG2 4.29Å; P826-V992 HydrophobicContact CG-CG2 4.21Å; G829-V992 PolarHBondContact O-N 3.08Å; I831-V992 HydrophobicContact CD1-CG2 3.87Å; I831-V992 HydrophobicContact CG1-CG2 3.98Å; I831-V992 HydrophobicContact CG2-CG2 3.74Å; V992-I1000 HydrophobicContact CB-CG2 4.42Å; V992-I1000 HydrophobicContact CG1-CG2 4Å; V992-I1000 HydrophobicContact CG2-CG2 3.74Å
993Q95.1Very high88.2Confident66 Ų6651.6 Ų51.631%0.30823%0.233SC..EExtended strand (participates in β ladder)trans-93.6-45.9173.2-60-58.1-82.800111V991 F1001 R1003V991-Q993 PolarHBondContact O-N 3.25Å; V991-Q993 PolarHBondContact O-NE2 2.76Å; Q993-F1001 PolarHBondContact N-O 2.86Å; Q993-R1003 HydrophobicContact CG-CG 3.68Å
994S93.3Very high90.2Very high17 Ų1746.2 Ų46.212%0.11921%0.21CC..EExtended strand (participates in β ladder)trans-155.5155.7-179.754.50000109.2F1001 Q1030S994-F1001 PolarHBondContact O-N 2.95Å; S994-Q1030 PolarHBondContact OG-NE2 2.98Å; S994-Q1030 PolarHBondContact OG-OE1 3.42Å
995A94.2Very high92.1Very high15 Ų1536.7 Ų36.712%0.12417%0.174CC..EExtended strand (participates in β ladder)trans-128.9122.4168.300000107.5P821 T999P821-A995 HydrophobicContact CB-CB 3.9Å; P821-A995 HydrophobicContact CG-CB 3.94Å; P821-A995 WeakPolarHBondContact CG-O 3.32Å; A995-T999 WeakPolarHBondContact CA-O 3.41Å
996I92.3Very high93.7Very high15 Ų1536.1 Ų36.18%0.07717%0.165CC..EExtended strand (participates in β ladder)trans-130.2125.2-175.2-59.4170.8000106.3M814 R998 T999 F1001 L1033 M1036 V1037M814-I996 HydrophobicContact CE-CG2 3.55Å; M814-I996 HydrophobicContact SD-CG2 4.05Å; I996-R998 PolarHBondContact O-N 3.39Å; I996-T999 PolarHBondContact N-O 2.83Å; I996-T999 WeakPolarHBondContact O-CB 3.45Å; I996-T999 PolarHBondContact O-N 3.38Å; I996-T999 VanDerWaalsContact O-N 3.08Å; I996-F1001 HydrophobicContact CB-CE2 4.16Å; I996-F1001 HydrophobicContact CD1-CE2 4.3Å; I996-F1001 HydrophobicContact CG1-CE2 4.47Å; I996-L1033 HydrophobicContact CD1-CB 3.83Å; I996-M1036 HydrophobicContact CG2-CE 4.27Å; I996-V1037 HydrophobicContact CD1-CG2 4.11Å; I996-V1037 HydrophobicContact CG1-CG2 4.35Å; I996-V1037 HydrophobicContact CG2-CG2 3.8Å
997H87.6Confident94.2Very high56 Ų5634.9 Ų34.926%0.25916%0.161SC..THydrogen-bonded Turntrans49.6-133.5-169.6-163.159.3000111.8M814 E818 V819 P821 P822 T999M814-H997 HydrophobicContact CE-CB 3.74Å; E818-H997 WeakPolarHBondContact CA-ND1 3.45Å; E818-H997 WeakPolarHBondContact O-CA 3.5Å; E818-H997 WeakPolarHBondContact O-CB 3.45Å; E818-H997 PolarHBondContact O-N 3.46Å; E818-H997 PolarHBondContact O-ND1 3.48Å; V819-H997 PolarHBondContact O-N 2.91Å; P821-H997 VanDerWaalsContact CA-O 3.23Å; P821-H997 WeakPolarHBondContact CA-O 3.41Å; P821-H997 VanDerWaalsContact CB-O 3.31Å; P821-H997 WeakPolarHBondContact CB-O 3.33Å; P822-H997 WeakPolarHBondContact CD-O 3.41Å; H997-T999 VanDerWaalsContact C-N 3.26Å; H997-T999 PolarHBondContact O-N 3.39Å
998R88.3Confident94.1Very high68 Ų6835.3 Ų35.326%0.25717%0.166SC..THydrogen-bonded Turntrans-8717.6179.4-60.5170.9-175.5-169.92.3113.2Y825 I996Y825-R998 WeakPolarHBondContact CE1-O 3.48Å; Y825-R998 PolarHBondContact OH-O 3.38Å; I996-R998 PolarHBondContact O-N 3.39Å
999T94.5Very high93.7Very high13 Ų1340.5 Ų40.58%0.0819%0.19CC..EExtended strand (participates in β ladder)trans-120.4130-174.1-47.70000112D949 R951 A995 I996 H997 F1001D949-T999 WeakPolarHBondContact O-CA 3.39Å; R951-T999 HydrophobicContact CB-CG2 4.36Å; R951-T999 HydrophobicContact CG-CG2 3.82Å; A995-T999 WeakPolarHBondContact CA-O 3.41Å; I996-T999 PolarHBondContact N-O 2.83Å; I996-T999 WeakPolarHBondContact O-CB 3.45Å; I996-T999 PolarHBondContact O-N 3.38Å; I996-T999 VanDerWaalsContact O-N 3.08Å; H997-T999 VanDerWaalsContact C-N 3.26Å; H997-T999 PolarHBondContact O-N 3.39Å; T999-F1001 HydrophobicContact CG2-CD2 4.25Å; T999-F1001 HydrophobicContact CG2-CE1 4.15Å; T999-F1001 HydrophobicContact CG2-CE2 3.67Å; T999-F1001 HydrophobicContact CG2-CZ 3.62Å
1000I96.6Very high93.2Very high0 Ų040.1 Ų40.10%020%0.202CC..EExtended strand (participates in β ladder)trans-101.2123.4174-58.1171.1000108.9Y825 P826 I831 M948 D949 L950 R951 V992 V1002Y825-I1000 HydrophobicContact CD1-CD1 3.96Å; Y825-I1000 HydrophobicContact CD1-CG1 3.71Å; Y825-I1000 HydrophobicContact CE1-CD1 4.33Å; Y825-I1000 HydrophobicContact CE1-CG1 4.13Å; P826-I1000 HydrophobicContact CG-CD1 3.88Å; I831-I1000 HydrophobicContact CD1-CG2 4.39Å; M948-I1000 HydrophobicContact CB-CD1 4.01Å; M948-I1000 HydrophobicContact CG-CD1 4.44Å; M948-I1000 HydrophobicContact SD-CD1 3.64Å; D949-I1000 PolarHBondContact O-N 3.43Å; L950-I1000 WeakPolarHBondContact CA-O 3.44Å; L950-I1000 HydrophobicContact CD1-CB 4.48Å; L950-I1000 HydrophobicContact CD1-CG2 4.21Å; R951-I1000 PolarHBondContact N-O 3.34Å; V992-I1000 HydrophobicContact CB-CG2 4.42Å; V992-I1000 HydrophobicContact CG1-CG2 4Å; V992-I1000 HydrophobicContact CG2-CG2 3.74Å; I1000-V1002 HydrophobicContact CG2-CG1 4.3Å
1001F96.9Very high92.9Very high2 Ų243.7 Ų43.71%0.00922%0.221CC..EExtended strand (participates in β ladder)trans-101129.9177.5-66.5-86.5000111.3R951 L953 Q993 S994 I996 T999 L1033R951-F1001 HydrophobicContact CB-CD1 4.26Å; R951-F1001 HydrophobicContact CB-CE1 4.29Å; L953-F1001 HydrophobicContact CD1-CB 4.42Å; L953-F1001 HydrophobicContact CD1-CD1 4.05Å; L953-F1001 HydrophobicContact CD1-CG 4.45Å; Q993-F1001 PolarHBondContact N-O 2.86Å; S994-F1001 PolarHBondContact O-N 2.95Å; I996-F1001 HydrophobicContact CB-CE2 4.16Å; I996-F1001 HydrophobicContact CD1-CE2 4.3Å; I996-F1001 HydrophobicContact CG1-CE2 4.47Å; T999-F1001 HydrophobicContact CG2-CD2 4.25Å; T999-F1001 HydrophobicContact CG2-CE1 4.15Å; T999-F1001 HydrophobicContact CG2-CE2 3.67Å; T999-F1001 HydrophobicContact CG2-CZ 3.62Å; F1001-L1033 HydrophobicContact CD1-CD1 3.99Å; F1001-L1033 HydrophobicContact CD2-CD1 4.43Å; F1001-L1033 HydrophobicContact CE1-CD1 3.67Å; F1001-L1033 HydrophobicContact CE2-CD1 4.16Å; F1001-L1033 HydrophobicContact CG-CD1 4.35Å; F1001-L1033 HydrophobicContact CZ-CD1 3.77Å; F1001-L1033 HydrophobicContact CZ-CD2 4.13Å
1002V97.4Very high92.7Very high0 Ų042.3 Ų42.30%021%0.211CC..EExtended strand (participates in β ladder)trans-127.6151.5178.1-59.30000110L950 R951 I952 L953 A990 I1000 N1004 I1005L950-V1002 HydrophobicContact CD1-CG1 4.03Å; L950-V1002 HydrophobicContact CD2-CG2 3.99Å; L950-V1002 HydrophobicContact CG-CG1 4.35Å; L950-V1002 HydrophobicContact CG-CG2 4.36Å; R951-V1002 PolarHBondContact O-N 3.39Å; I952-V1002 WeakPolarHBondContact CA-O 3.45Å; I952-V1002 HydrophobicContact CG1-CG2 4.4Å; L953-V1002 WeakPolarHBondContact CB-O 3.37Å; L953-V1002 PolarHBondContact N-O 3.23Å; A990-V1002 HydrophobicContact CB-CB 3.97Å; A990-V1002 HydrophobicContact CB-CG1 3.69Å; A990-V1002 HydrophobicContact CB-CG2 4.19Å; I1000-V1002 HydrophobicContact CG2-CG1 4.3Å; V1002-N1004 VanDerWaalsContact C-N 3.33Å; V1002-I1005 HydrophobicContact CG2-CG1 4Å
1003R95.2Very high92.5Very high165 Ų16542.1 Ų42.162%0.62321%0.21SC*.SBendtrans-71.4-32.3172-67.3-170-172.4-155.3-1.8112.4Q993Q993-R1003 HydrophobicContact CG-CG 3.68Å
1004N96.3Very high92.5Very high10 Ų1039.9 Ų39.95%0.05320%0.2CC..  trans-162.5167.2-172.2-155.2-4000111.3A990 V1002 Y1006 D1012 L1014A990-N1004 VanDerWaalsContact CB-O 3.27Å; A990-N1004 WeakPolarHBondContact CB-O 3.46Å; V1002-N1004 VanDerWaalsContact C-N 3.33Å; N1004-Y1006 HydrophobicContact CB-CE2 3.98Å; N1004-Y1006 WeakPolarHBondContact ND2-CE1 3.4Å; N1004-Y1006 PolarHBondContact ND2-OH 3.04Å; N1004-D1012 PolarHBondContact ND2-OD1 2.91Å; N1004-D1012 PolarHBondContact ND2-OD2 3.14Å; N1004-D1012 VanDerWaalsContact ND2-OD2 3.16Å; N1004-D1012 PolarHBondContact OD1-OD1 3.12Å; N1004-D1012 VanDerWaalsContact OD1-OD1 3.08Å; N1004-L1014 WeakPolarHBondContact OD1-CB 3.35Å; N1004-L1014 PolarHBondContact OD1-N 3.14Å
1005I96.7Very high92.4Very high1 Ų141.6 Ų41.61%0.00521%0.212CC..  trans-129.2133.2174.6-59.1177.5000108.5F833 L844 L950 I952 F988 A990 V1002 L1013F833-I1005 HydrophobicContact CE2-CG2 4.34Å; F833-I1005 HydrophobicContact CZ-CD1 4.21Å; F833-I1005 HydrophobicContact CZ-CG1 4.23Å; F833-I1005 HydrophobicContact CZ-CG2 3.73Å; L844-I1005 HydrophobicContact CD1-CD1 3.42Å; L844-I1005 VanDerWaalsContact CD1-CD1 3.42Å; L844-I1005 HydrophobicContact CG-CD1 4.49Å; L950-I1005 HydrophobicContact CD2-CD1 3.33Å; L950-I1005 HydrophobicContact CD2-CG1 4.02Å; I952-I1005 HydrophobicContact CD1-CD1 4.35Å; I952-I1005 HydrophobicContact CD1-CG1 4.39Å; I952-I1005 HydrophobicContact CG1-CD1 4.23Å; I952-I1005 HydrophobicContact CG1-CG1 4.3Å; F988-I1005 HydrophobicContact CB-CG2 4.14Å; F988-I1005 HydrophobicContact CD1-CG2 4.43Å; A990-I1005 HydrophobicContact CB-CG1 4.42Å; V1002-I1005 HydrophobicContact CG2-CG1 4Å; I1005-L1013 HydrophobicContact CB-CB 4.13Å; I1005-L1013 HydrophobicContact CB-CD2 4.14Å; I1005-L1013 HydrophobicContact CD1-CD2 4.05Å; I1005-L1013 WeakPolarHBondContact O-CB 3.24Å; I1005-L1013 PolarHBondContact O-N 3.01Å
1006Y95.5Very high92.2Very high82 Ų8241.4 Ų41.432%0.32221%0.208SC..EExtended strand (participates in β ladder)trans-118.5147.9178-54.3-80.8000110.4F988 H989 N1004 N1011 D1012F988-Y1006 CarbonylContact C-O 3.6Å; F988-Y1006 VanDerWaalsContact CA-O 3.28Å; F988-Y1006 WeakPolarHBondContact CA-O 3.28Å; H989-Y1006 PolarHBondContact N-O 3.2Å; H989-Y1006 WeakPolarHBondContact NE2-CB 3.29Å; H989-Y1006 PolarHBondContact O-N 2.87Å; N1004-Y1006 HydrophobicContact CB-CE2 3.98Å; N1004-Y1006 WeakPolarHBondContact ND2-CE1 3.4Å; N1004-Y1006 PolarHBondContact ND2-OH 3.04Å; Y1006-N1011 WeakPolarHBondContact CA-O 3.36Å; Y1006-D1012 HydrophobicContact CD1-CB 4.25Å; Y1006-D1012 HydrophobicContact CE1-CB 4.07Å
1007D90.5Very high92.2Very high4 Ų440.7 Ų40.72%0.02121%0.205CC..EExtended strand (participates in β ladder)trans-91.8175.2168.67212.6000112.2R986 F988 H989 E1009 G1010 N1011R986-D1007 IonicContact CZ-OD2 2.78Å; R986-D1007 IonicContact NH2-OD2 3.58Å; R986-D1007 PolarHBondContact NH2-OD2 2.72Å; F988-D1007 HydrophobicContact CD1-CB 3.73Å; F988-D1007 HydrophobicContact CE1-CB 3.6Å; H989-D1007 PolarHBondContact CE1-O 2.87Å; D1007-E1009 PolarHBondContact O-N 2.69Å; D1007-E1009 WeakPolarHBondContact OD1-CA 3.35Å; D1007-E1009 WeakPolarHBondContact OD1-CB 3.4Å; D1007-E1009 PolarHBondContact OD1-N 2.81Å; D1007-G1010 PolarHBondContact O-N 2.9Å; D1007-G1010 PolarHBondContact OD1-N 3.02Å; D1007-G1010 VanDerWaalsContact OD1-N 3.16Å; D1007-N1011 PolarHBondContact N-O 2.85Å; D1007-N1011 WeakPolarHBondContact OD1-CB 3.47Å; D1007-N1011 PolarHBondContact OD1-N 2.81Å; D1007-N1011 PolarHBondContact OD1-ND2 3.14Å; D1007-N1011 VanDerWaalsContact OD1-ND2 3.1Å; D1007-N1011 WeakPolarHBondContact OD2-CB 3.12Å; D1007-N1011 PolarHBondContact OD2-ND2 3.31Å
1008D84.6Confident92.2Very high83 Ų8341.5 Ų41.544%0.44421%0.21SC..THydrogen-bonded Turntrans-59.2-13.7178.7-58.7-41.7000114.4Q987Q987-D1008 WeakPolarHBondContact CB-OD1 3.46Å; Q987-D1008 PolarHBondContact N-OD2 3.17Å; Q987-D1008 VanDerWaalsContact O-CG 3.3Å
1009E84.8Confident92Very high116 Ų11644.4 Ų44.454%0.54223%0.231SC..THydrogen-bonded Turntrans-101.50.4178.7-69.6165.5-16000112D1007 N1011D1007-E1009 PolarHBondContact O-N 2.69Å; D1007-E1009 WeakPolarHBondContact OD1-CA 3.35Å; D1007-E1009 WeakPolarHBondContact OD1-CB 3.4Å; D1007-E1009 PolarHBondContact OD1-N 2.81Å; E1009-N1011 VanDerWaalsContact C-N 3.34Å; E1009-N1011 WeakPolarHBondContact CB-ND2 3.18Å
1010G86.3Confident91.3Very high50 Ų5049.6 Ų49.652%0.51525%0.249SC..  trans79.611-177.700000114.2D1007D1007-G1010 PolarHBondContact O-N 2.9Å; D1007-G1010 PolarHBondContact OD1-N 3.02Å; D1007-G1010 VanDerWaalsContact OD1-N 3.16Å
1011N90.1Very high90.6Very high76 Ų7651 Ų5141%0.40626%0.255SS..  trans-68.7136175.5-58.5-73.2000110.3F976 Y1006 D1007 E1009F976-N1011 HydrophobicContact CE2-CB 4.06Å; F976-N1011 HydrophobicContact CZ-CB 4.48Å; F976-N1011 WeakPolarHBondContact CZ-O 3.27Å; Y1006-N1011 WeakPolarHBondContact CA-O 3.36Å; D1007-N1011 PolarHBondContact N-O 2.85Å; D1007-N1011 WeakPolarHBondContact OD1-CB 3.47Å; D1007-N1011 PolarHBondContact OD1-N 2.81Å; D1007-N1011 PolarHBondContact OD1-ND2 3.14Å; D1007-N1011 VanDerWaalsContact OD1-ND2 3.1Å; D1007-N1011 WeakPolarHBondContact OD2-CB 3.12Å; D1007-N1011 PolarHBondContact OD2-ND2 3.31Å; E1009-N1011 VanDerWaalsContact C-N 3.34Å; E1009-N1011 WeakPolarHBondContact CB-ND2 3.18Å
1012D93.2Very high89.7Confident44 Ų4455.8 Ų55.824%0.23527%0.273CS..BIsolated β-bridgetrans-95122.4-174.5171.9-14.9000111.3N1004 Y1006 L1014 S1015 F1016N1004-D1012 PolarHBondContact ND2-OD1 2.91Å; N1004-D1012 PolarHBondContact ND2-OD2 3.14Å; N1004-D1012 VanDerWaalsContact ND2-OD2 3.16Å; N1004-D1012 PolarHBondContact OD1-OD1 3.12Å; N1004-D1012 VanDerWaalsContact OD1-OD1 3.08Å; Y1006-D1012 HydrophobicContact CD1-CB 4.25Å; Y1006-D1012 HydrophobicContact CE1-CB 4.07Å; D1012-L1014 WeakPolarHBondContact OD1-CA 3.48Å; D1012-L1014 WeakPolarHBondContact OD1-CB 3.37Å; D1012-L1014 PolarHBondContact OD1-N 2.88Å; D1012-S1015 VanDerWaalsContact CG-OG 3.24Å; D1012-S1015 PolarHBondContact OD1-N 3.15Å; D1012-S1015 VanDerWaalsContact OD2-CB 3.27Å; D1012-S1015 WeakPolarHBondContact OD2-CB 3.49Å; D1012-S1015 PolarHBondContact OD2-OG 2.71Å; D1012-F1016 VanDerWaalsContact O-CB 3.22Å; D1012-F1016 WeakPolarHBondContact O-CB 3.49Å; D1012-F1016 PolarHBondContact O-N 2.92Å
1013L94Very high89.3Confident1 Ų156.5 Ų56.51%0.00528%0.278CS..Hα-helixtrans-73.2-41.9177.8-179.757000113.5I952 V972 F976 F977 I1005 F1016 V1017I952-L1013 HydrophobicContact CD1-CD2 3.99Å; I952-L1013 HydrophobicContact CD1-CG 4.16Å; V972-L1013 HydrophobicContact CG1-CD1 3.75Å; F976-L1013 HydrophobicContact CB-CD1 4.14Å; F976-L1013 HydrophobicContact CD1-CB 4.35Å; F976-L1013 HydrophobicContact CD1-CD1 3.82Å; F976-L1013 HydrophobicContact CD1-CG 4.45Å; F976-L1013 HydrophobicContact CD2-CB 4.49Å; F976-L1013 HydrophobicContact CD2-CD1 3.99Å; F976-L1013 HydrophobicContact CE1-CB 3.85Å; F976-L1013 HydrophobicContact CE1-CD1 4.21Å; F976-L1013 HydrophobicContact CE1-CG 4.4Å; F976-L1013 HydrophobicContact CE2-CB 4.01Å; F976-L1013 HydrophobicContact CE2-CD1 4.37Å; F976-L1013 HydrophobicContact CG-CD1 3.7Å; F976-L1013 HydrophobicContact CZ-CB 3.66Å; F976-L1013 HydrophobicContact CZ-CD1 4.48Å; F977-L1013 HydrophobicContact CE1-CD2 4.23Å; F977-L1013 HydrophobicContact CZ-CD2 3.64Å; I1005-L1013 HydrophobicContact CB-CB 4.13Å; I1005-L1013 HydrophobicContact CB-CD2 4.14Å; I1005-L1013 HydrophobicContact CD1-CD2 4.05Å; I1005-L1013 WeakPolarHBondContact O-CB 3.24Å; I1005-L1013 PolarHBondContact O-N 3.01Å; L1013-F1016 HydrophobicContact CD1-CD1 4.29Å; L1013-F1016 WeakPolarHBondContact O-CB 3.14Å; L1013-F1016 PolarHBondContact O-N 2.91Å; L1013-F1016 VanDerWaalsContact O-N 3.16Å; L1013-V1017 HydrophobicContact CD1-CG2 3.89Å; L1013-V1017 HydrophobicContact CG-CG2 4.36Å; L1013-V1017 VanDerWaalsContact O-CG2 3.28Å; L1013-V1017 WeakPolarHBondContact O-CG2 3.34Å; L1013-V1017 PolarHBondContact O-N 2.99Å
1014L93.9Very high89Confident19 Ų1951.5 Ų51.510%0.09926%0.262CS..Hα-helixtrans-59.4-49178.1176.364.6000110.5I952 L955 N1004 D1012 F1016 V1017 I1018I952-L1014 HydrophobicContact CG2-CD1 4.22Å; L955-L1014 HydrophobicContact CB-CD1 4.49Å; L955-L1014 HydrophobicContact CD1-CD1 3.88Å; L955-L1014 HydrophobicContact CD2-CD1 3.88Å; L955-L1014 HydrophobicContact CG-CD1 4.28Å; N1004-L1014 WeakPolarHBondContact OD1-CB 3.35Å; N1004-L1014 PolarHBondContact OD1-N 3.14Å; D1012-L1014 WeakPolarHBondContact OD1-CA 3.48Å; D1012-L1014 WeakPolarHBondContact OD1-CB 3.37Å; D1012-L1014 PolarHBondContact OD1-N 2.88Å; L1014-F1016 VanDerWaalsContact C-N 3.33Å; L1014-F1016 PolarHBondContact O-N 2.88Å; L1014-V1017 PolarHBondContact O-N 3.38Å; L1014-I1018 HydrophobicContact CD1-CD1 3.65Å; L1014-I1018 HydrophobicContact CD1-CG1 4.18Å; L1014-I1018 HydrophobicContact CG-CD1 3.87Å; L1014-I1018 WeakPolarHBondContact O-CG1 3.3Å; L1014-I1018 PolarHBondContact O-N 3.35Å
1015S92.4Very high88.8Confident53 Ų5354.3 Ų54.337%0.37128%0.275SS..Hα-helixtrans-64.2-36173.8-67.80000112D1012 V1017 N1019D1012-S1015 VanDerWaalsContact CG-OG 3.24Å; D1012-S1015 PolarHBondContact OD1-N 3.15Å; D1012-S1015 VanDerWaalsContact OD2-CB 3.27Å; D1012-S1015 WeakPolarHBondContact OD2-CB 3.49Å; D1012-S1015 PolarHBondContact OD2-OG 2.71Å; S1015-V1017 VanDerWaalsContact C-N 3.29Å; S1015-V1017 PolarHBondContact O-N 3.09Å; S1015-N1019 WeakPolarHBondContact O-CB 3.19Å; S1015-N1019 PolarHBondContact O-N 3.1Å; S1015-N1019 PolarHBondContact O-ND2 3.02Å
1016F90.4Very high88.5Confident12 Ų1255 Ų555%0.05328%0.279CS..Hα-helixtrans-61-39.4174.1176.6-83.8000112.3L971 V972 D975 F976 D1012 L1013 L1014 R1020L971-F1016 HydrophobicContact CD2-CE1 3.7Å; L971-F1016 HydrophobicContact CD2-CZ 3.51Å; V972-F1016 HydrophobicContact CG2-CD1 4.23Å; V972-F1016 HydrophobicContact CG2-CE1 3.91Å; D975-F1016 HydrophobicContact CB-CE2 4.34Å; D975-F1016 HydrophobicContact CB-CZ 3.83Å; F976-F1016 HydrophobicContact CB-CD1 4.31Å; F976-F1016 HydrophobicContact CB-CE1 4.23Å; F976-F1016 HydrophobicContact CB-CE2 4.47Å; F976-F1016 HydrophobicContact CB-CZ 4.3Å; F976-F1016 HydrophobicContact CD2-CB 3.93Å; F976-F1016 HydrophobicContact CD2-CD1 4.35Å; F976-F1016 AromaticContact CD2-CD2 3.94Å; F976-F1016 HydrophobicContact CD2-CD2 3.94Å; F976-F1016 AromaticContact CD2-CG 3.82Å; F976-F1016 HydrophobicContact CD2-CG 3.82Å; F976-F1016 HydrophobicContact CE2-CB 4.28Å; D1012-F1016 VanDerWaalsContact O-CB 3.22Å; D1012-F1016 WeakPolarHBondContact O-CB 3.49Å; D1012-F1016 PolarHBondContact O-N 2.92Å; L1013-F1016 HydrophobicContact CD1-CD1 4.29Å; L1013-F1016 WeakPolarHBondContact O-CB 3.14Å; L1013-F1016 PolarHBondContact O-N 2.91Å; L1013-F1016 VanDerWaalsContact O-N 3.16Å; L1014-F1016 VanDerWaalsContact C-N 3.33Å; L1014-F1016 PolarHBondContact O-N 2.88Å; F1016-R1020 VanDerWaalsContact CD2-NH1 3.28Å; F1016-R1020 WeakPolarHBondContact O-CD 3.45Å; F1016-R1020 WeakPolarHBondContact O-CG 3.49Å; F1016-R1020 PolarHBondContact O-NH1 2.87Å
1017V90.7Very high88.3Confident0 Ų059.9 Ų59.90%030%0.304CS..Hα-helixtrans-76.1-52.8-177.9170.30000111.5P841 L955 W964 V972 L1013 L1014 S1015 N1019 R1020 F1021P841-V1017 HydrophobicContact CB-CG1 3.95Å; P841-V1017 HydrophobicContact CB-CG2 3.79Å; L955-V1017 HydrophobicContact CD1-CG1 4.34Å; L955-V1017 HydrophobicContact CD2-CG1 4.22Å; W964-V1017 HydrophobicContact CH2-CG1 3.67Å; W964-V1017 HydrophobicContact CZ3-CG1 4.08Å; V972-V1017 HydrophobicContact CG2-CG2 3.96Å; L1013-V1017 HydrophobicContact CD1-CG2 3.89Å; L1013-V1017 HydrophobicContact CG-CG2 4.36Å; L1013-V1017 VanDerWaalsContact O-CG2 3.28Å; L1013-V1017 WeakPolarHBondContact O-CG2 3.34Å; L1013-V1017 PolarHBondContact O-N 2.99Å; L1014-V1017 PolarHBondContact O-N 3.38Å; S1015-V1017 VanDerWaalsContact C-N 3.29Å; S1015-V1017 PolarHBondContact O-N 3.09Å; V1017-N1019 VanDerWaalsContact C-N 3.26Å; V1017-N1019 PolarHBondContact O-N 2.54Å; V1017-R1020 PolarHBondContact O-N 3.1Å; V1017-F1021 HydrophobicContact CB-CD2 4.32Å; V1017-F1021 HydrophobicContact CG1-CD2 3.95Å; V1017-F1021 WeakPolarHBondContact O-CD2 3.13Å; V1017-F1021 PolarHBondContact O-N 2.81Å
1018I88.1Confident88.4Confident72 Ų7262.9 Ų62.937%0.36933%0.325SS..Hα-helixtrans-58.8-38.7-177.9-69.7174.3000111.4L955 L1014 R1020L955-I1018 HydrophobicContact CD1-CG1 4.5Å; L1014-I1018 HydrophobicContact CD1-CD1 3.65Å; L1014-I1018 HydrophobicContact CD1-CG1 4.18Å; L1014-I1018 HydrophobicContact CG-CD1 3.87Å; L1014-I1018 WeakPolarHBondContact O-CG1 3.3Å; L1014-I1018 PolarHBondContact O-N 3.35Å; I1018-R1020 PolarHBondContact O-N 3.06Å
1019N84.1Confident88.9Confident130 Ų13058.9 Ų58.970%0.69530%0.303SS*.THydrogen-bonded Turntrans-76.4-2.8179.2-69.4-52.3000114.4S1015 V1017S1015-N1019 WeakPolarHBondContact O-CB 3.19Å; S1015-N1019 PolarHBondContact O-N 3.1Å; S1015-N1019 PolarHBondContact O-ND2 3.02Å; V1017-N1019 VanDerWaalsContact C-N 3.26Å; V1017-N1019 PolarHBondContact O-N 2.54Å
1020R79.4Confident89.3Confident121 Ų12155.2 Ų55.246%0.45729%0.286SS..THydrogen-bonded Turntrans-127.1-23.7-175.8-73-178.717571.110.3114.8F1016 V1017 I1018F1016-R1020 VanDerWaalsContact CD2-NH1 3.28Å; F1016-R1020 WeakPolarHBondContact O-CD 3.45Å; F1016-R1020 WeakPolarHBondContact O-CG 3.49Å; F1016-R1020 PolarHBondContact O-NH1 2.87Å; V1017-R1020 PolarHBondContact O-N 3.1Å; I1018-R1020 PolarHBondContact O-N 3.06Å
1021F82.3Confident89.8Confident31 Ų3158.6 Ų58.614%0.13629%0.292CS..SBendtrans-128.9155.8-173.8-53.6-69.4000111.5W964 A968 L971 V972 V1017 S1023W964-F1021 HydrophobicContact CZ3-CB 4.12Å; A968-F1021 VanDerWaalsContact CA-CE1 3.49Å; A968-F1021 HydrophobicContact CB-CD1 3.66Å; A968-F1021 HydrophobicContact CB-CD2 4.44Å; A968-F1021 HydrophobicContact CB-CE1 3.47Å; A968-F1021 VanDerWaalsContact CB-CE1 3.47Å; A968-F1021 HydrophobicContact CB-CE2 4.29Å; A968-F1021 HydrophobicContact CB-CG 4.14Å; A968-F1021 HydrophobicContact CB-CZ 3.79Å; L971-F1021 HydrophobicContact CB-CZ 4.08Å; L971-F1021 HydrophobicContact CD1-CZ 4.29Å; L971-F1021 HydrophobicContact CD2-CZ 3.91Å; L971-F1021 HydrophobicContact CG-CZ 4.31Å; V972-F1021 HydrophobicContact CG2-CE2 3.88Å; V972-F1021 HydrophobicContact CG2-CZ 4.42Å; V1017-F1021 HydrophobicContact CB-CD2 4.32Å; V1017-F1021 HydrophobicContact CG1-CD2 3.95Å; V1017-F1021 WeakPolarHBondContact O-CD2 3.13Å; V1017-F1021 PolarHBondContact O-N 2.81Å; F1021-S1023 PolarHBondContact O-N 3.45Å
1022R78.8Confident90Very high101 Ų10157.6 Ų57.638%0.38128%0.284SS..  trans-73.896169.6-71.2-168.8-155.8-1612.5109.8H578 E958H578-R1022 PolarHBondContact CD2-NH1 3.32Å; H578-R1022 PolarHBondContact NE2-NH2 3.37Å; E958-R1022 HydrophobicContact CB-CB 4.14Å; E958-R1022 HydrophobicContact CG-CB 4.11Å; E958-R1022 PolarHBondContact N-O 2.86Å; E958-R1022 VanDerWaalsContact OE2-CB 3.32Å; E958-R1022 WeakPolarHBondContact OE2-CB 3.39Å; E958-R1022 WeakPolarHBondContact OE2-CD 3.43Å
1023S87.7Confident90.1Very high16 Ų1655.5 Ų55.511%0.11227%0.273CS..EExtended strand (participates in β ladder)trans-140.2147.9-176.760.70000111.7Q956 W964 F1021Q956-S1023 CarbonylContact O-C 3.54Å; Q956-S1023 VanDerWaalsContact O-CA 3.29Å; Q956-S1023 WeakPolarHBondContact O-CA 3.41Å; Q956-S1023 WeakPolarHBondContact O-CB 3.49Å; W964-S1023 VanDerWaalsContact CH2-CB 3.48Å; F1021-S1023 PolarHBondContact O-N 3.45Å
1024H89.3Confident90.1Very high59 Ų5958.5 Ų58.527%0.27329%0.288SS..EExtended strand (participates in β ladder)trans-120.6140.6176.3169.363.4000109.3R767 Q956R767-H1024 VanDerWaalsContact CD-CD2 3.49Å; R767-H1024 WeakPolarHBondContact CD-CD2 3.4Å; R767-H1024 WeakPolarHBondContact CD-NE2 3.26Å; R767-H1024 VanDerWaalsContact CZ-CD2 3.48Å; R767-H1024 PolarHBondContact NE-CD2 2.7Å; R767-H1024 PolarHBondContact NE-NE2 2.08Å; R767-H1024 VanDerWaalsContact NE-NE2 3.18Å; Q956-H1024 HydrophobicContact CG-CB 4.48Å; Q956-H1024 PolarHBondContact N-O 2.85Å; Q956-H1024 PolarHBondContact O-N 3.32Å
1025Q91.8Very high90Very high70 Ų7059.9 Ų59.933%0.32730%0.303SS..EExtended strand (participates in β ladder)trans-101.9117.6171-172.5167.518.500108.9E1027Q1025-E1027 PolarHBondContact O-N 2.54Å
1026D91.8Very high90Very high16 Ų1657.8 Ų57.89%0.08629%0.287CS..  trans-89.899.2177.7-172.6-20.7000109.5G954 Q956 C1028 C1029 K1032G954-D1026 PolarHBondContact O-N 2.56Å; Q956-D1026 VanDerWaalsContact NE2-CB 3.31Å; D1026-C1028 PolarHBondContact O-N 2.86Å; D1026-C1028 WeakPolarHBondContact OD1-CB 3.33Å; D1026-C1028 PolarHBondContact OD1-N 2.84Å; D1026-C1028 VanDerWaalsContact OD1-N 3.16Å; D1026-C1029 HydrophobicContact CB-CB 4.37Å; D1026-C1029 WeakPolarHBondContact O-CB 3.45Å; D1026-C1029 PolarHBondContact O-N 3.43Å; D1026-C1029 PolarHBondContact OD1-N 3.38Å; D1026-K1032 IonicContact OD1-NZ 3.92Å; D1026-K1032 IonicContact OD2-NZ 3.44Å; D1026-K1032 PolarHBondContact OD2-NZ 3.13Å
1027E91.2Very high90.1Very high183 Ų18358.9 Ų58.986%0.85530%0.295SS*.THydrogen-bonded Turntrans-61.2-26.3-179.4-60.9-177.2166.700112.4Q1025 C1029Q1025-E1027 PolarHBondContact O-N 2.54Å; E1027-C1029 VanDerWaalsContact C-N 3.27Å; E1027-C1029 PolarHBondContact O-N 3.09Å
1028C91.6Very high90.2Very high67 Ų6765.2 Ų65.245%0.45333%0.326SS..THydrogen-bonded Turntrans-81.8-0.6177.7-620000113.3D1026 Q1030 L1031 K1032D1026-C1028 PolarHBondContact O-N 2.86Å; D1026-C1028 WeakPolarHBondContact OD1-CB 3.33Å; D1026-C1028 PolarHBondContact OD1-N 2.84Å; D1026-C1028 VanDerWaalsContact OD1-N 3.16Å; C1028-Q1030 VanDerWaalsContact C-N 3.31Å; C1028-Q1030 PolarHBondContact O-N 2.7Å; C1028-L1031 PolarHBondContact O-N 2.72Å; C1028-L1031 VanDerWaalsContact O-N 3.15Å; C1028-K1032 WeakPolarHBondContact O-CG 3.4Å; C1028-K1032 PolarHBondContact O-N 3.07Å; C1028-K1032 VanDerWaalsContact O-N 3.13Å
1029C94.9Very high90.2Very high0 Ų064.5 Ų64.50%033%0.328CS..Hα-helixtrans-57.5-37.4-175.3-174.10000113.7L953 G954 D1026 E1027 K1032 L1033L953-C1029 HydrophobicContact CD1-CB 4.06Å; L953-C1029 HydrophobicContact CG-CB 4.27Å; G954-C1029 VanDerWaalsContact CA-CB 3.47Å; G954-C1029 PolarHBondContact N-SG 3.39Å; G954-C1029 VanDerWaalsContact N-SG 3.44Å; D1026-C1029 HydrophobicContact CB-CB 4.37Å; D1026-C1029 WeakPolarHBondContact O-CB 3.45Å; D1026-C1029 PolarHBondContact O-N 3.43Å; D1026-C1029 PolarHBondContact OD1-N 3.38Å; E1027-C1029 VanDerWaalsContact C-N 3.27Å; E1027-C1029 PolarHBondContact O-N 3.09Å; C1029-K1032 PolarHBondContact O-N 3.38Å; C1029-L1033 WeakPolarHBondContact O-CG 3.28Å; C1029-L1033 PolarHBondContact O-N 3.17Å; C1029-L1033 VanDerWaalsContact O-N 3.1Å
1030Q94.6Very high90.5Very high39 Ų3959.5 Ų59.518%0.18230%0.303CS..Hα-helixtrans-65.2-47176.9-171.861.260.800110.8L953 S994 C1028 K1032 L1033 D1034L953-Q1030 HydrophobicContact CD1-CB 4.42Å; L953-Q1030 HydrophobicContact CD2-CB 4.05Å; S994-Q1030 PolarHBondContact OG-NE2 2.98Å; S994-Q1030 PolarHBondContact OG-OE1 3.42Å; C1028-Q1030 VanDerWaalsContact C-N 3.31Å; C1028-Q1030 PolarHBondContact O-N 2.7Å; Q1030-K1032 PolarHBondContact O-N 3.03Å; Q1030-L1033 WeakPolarHBondContact O-CB 3.49Å; Q1030-L1033 PolarHBondContact O-N 2.98Å; Q1030-D1034 PolarHBondContact NE2-OD1 2.91Å; Q1030-D1034 PolarHBondContact O-N 2.94Å
1031L94.8Very high90.9Very high120 Ų12058 Ų5863%0.62830%0.3SS*.Hα-helixtrans-58.8-35.8179.1-60.7174.3000112.3C1028 A1035C1028-L1031 PolarHBondContact O-N 2.72Å; C1028-L1031 VanDerWaalsContact O-N 3.15Å; L1031-A1035 VanDerWaalsContact O-CB 3.29Å; L1031-A1035 WeakPolarHBondContact O-CB 3.44Å; L1031-A1035 PolarHBondContact O-N 2.99Å
1032K94.8Very high91Very high56 Ų5661.2 Ų61.224%0.24332%0.318CS..Hα-helixtrans-68.5-42.2174.9-64.5173.6-178.3-178.10112.2F800 D802 D1026 C1028 C1029 Q1030 A1035 M1036F800-K1032 WeakPolarHBondContact O-CB 3.44Å; F800-K1032 WeakPolarHBondContact O-CD 3.48Å; D802-K1032 HydrophobicContact CB-CD 4.39Å; D802-K1032 WeakPolarHBondContact OD2-CE 3.36Å; D802-K1032 IonicContact OD2-NZ 2.75Å; D802-K1032 PolarHBondContact OD2-NZ 3.37Å; D1026-K1032 IonicContact OD1-NZ 3.92Å; D1026-K1032 IonicContact OD2-NZ 3.44Å; D1026-K1032 PolarHBondContact OD2-NZ 3.13Å; C1028-K1032 WeakPolarHBondContact O-CG 3.4Å; C1028-K1032 PolarHBondContact O-N 3.07Å; C1028-K1032 VanDerWaalsContact O-N 3.13Å; C1029-K1032 PolarHBondContact O-N 3.38Å; Q1030-K1032 PolarHBondContact O-N 3.03Å; K1032-A1035 PolarHBondContact O-N 3.25Å; K1032-M1036 WeakPolarHBondContact O-CB 3.47Å; K1032-M1036 PolarHBondContact O-N 3.29Å
1033L94.8Very high90.9Very high0 Ų057.7 Ų57.70%031%0.308CS..Hα-helixtrans-65.9-40.2175.7-70.6167.6000111.5L953 I996 F1001 C1029 Q1030 M1036 V1037L953-L1033 HydrophobicContact CD1-CD1 3.76Å; I996-L1033 HydrophobicContact CD1-CB 3.83Å; F1001-L1033 HydrophobicContact CD1-CD1 3.99Å; F1001-L1033 HydrophobicContact CD2-CD1 4.43Å; F1001-L1033 HydrophobicContact CE1-CD1 3.67Å; F1001-L1033 HydrophobicContact CE2-CD1 4.16Å; F1001-L1033 HydrophobicContact CG-CD1 4.35Å; F1001-L1033 HydrophobicContact CZ-CD1 3.77Å; F1001-L1033 HydrophobicContact CZ-CD2 4.13Å; C1029-L1033 WeakPolarHBondContact O-CG 3.28Å; C1029-L1033 PolarHBondContact O-N 3.17Å; C1029-L1033 VanDerWaalsContact O-N 3.1Å; Q1030-L1033 WeakPolarHBondContact O-CB 3.49Å; Q1030-L1033 PolarHBondContact O-N 2.98Å; L1033-M1036 HydrophobicContact CD2-CE 3.87Å; L1033-M1036 WeakPolarHBondContact O-CB 3.48Å; L1033-M1036 PolarHBondContact O-N 2.91Å; L1033-V1037 WeakPolarHBondContact O-CG2 3.45Å; L1033-V1037 PolarHBondContact O-N 2.92Å
1034D94.1Very high89.9Confident63 Ų6360.9 Ų60.934%0.33733%0.329SS..Hα-helixtrans-64.4-42.9175.3-59.6-24.2000110.8Q1030 V1037 M1038Q1030-D1034 PolarHBondContact NE2-OD1 2.91Å; Q1030-D1034 PolarHBondContact O-N 2.94Å; D1034-V1037 PolarHBondContact O-N 3.44Å; D1034-M1038 WeakPolarHBondContact O-CG 3.48Å; D1034-M1038 PolarHBondContact O-N 3.45Å
1035A92.9Very high88.7Confident49 Ų4965.4 Ų65.441%0.40535%0.345SS..Hα-helixtrans-62-42.3173.900000112.4L1031 K1032 V1037 M1038 S1039L1031-A1035 VanDerWaalsContact O-CB 3.29Å; L1031-A1035 WeakPolarHBondContact O-CB 3.44Å; L1031-A1035 PolarHBondContact O-N 2.99Å; K1032-A1035 PolarHBondContact O-N 3.25Å; A1035-V1037 PolarHBondContact O-N 3Å; A1035-M1038 PolarHBondContact O-N 2.97Å; A1035-S1039 WeakPolarHBondContact O-CB 3.29Å; A1035-S1039 PolarHBondContact O-N 2.83Å; A1035-S1039 PolarHBondContact O-OG 2.81Å
1036M92.3Very high86.4Confident9 Ų972 Ų724%0.04438%0.378CS..Hα-helixtrans-57.7-47.2173176.8-167.365.800111M797 M814 I996 K1032 L1033 S1039 S1040M797-M1036 HydrophobicContact CG-CG 4.25Å; M797-M1036 HydrophobicContact CG-SD 3.56Å; M797-M1036 VanDerWaalsContact CG-SD 3.56Å; M797-M1036 HydrophobicContact SD-CB 4.25Å; M797-M1036 HydrophobicContact SD-CG 3.89Å; M797-M1036 HydrophobicContact SD-SD 3.68Å; M797-M1036 VanDerWaalsContact SD-SD 3.68Å; M814-M1036 HydrophobicContact CB-CG 4.21Å; M814-M1036 HydrophobicContact SD-CE 3.82Å; I996-M1036 HydrophobicContact CG2-CE 4.27Å; K1032-M1036 WeakPolarHBondContact O-CB 3.47Å; K1032-M1036 PolarHBondContact O-N 3.29Å; L1033-M1036 HydrophobicContact CD2-CE 3.87Å; L1033-M1036 WeakPolarHBondContact O-CB 3.48Å; L1033-M1036 PolarHBondContact O-N 2.91Å; M1036-S1039 WeakPolarHBondContact CA-OG 3.41Å; M1036-S1039 PolarHBondContact O-N 3.46Å; M1036-S1039 PolarHBondContact O-OG 2.85Å; M1036-S1040 PolarHBondContact O-N 2.53Å
1037V92.9Very high86.2Confident34 Ų3474.8 Ų74.821%0.20639%0.392CS..Hα-helixtrans-61.7-46.7177.5164.20000111.8M814 V819 I996 L1033 D1034 A1035 S1039 S1040M814-V1037 HydrophobicContact SD-CG2 4.12Å; V819-V1037 HydrophobicContact CG1-CG1 3.58Å; V819-V1037 HydrophobicContact CG1-CG2 4.43Å; V819-V1037 HydrophobicContact CG2-CG1 4.27Å; I996-V1037 HydrophobicContact CD1-CG2 4.11Å; I996-V1037 HydrophobicContact CG1-CG2 4.35Å; I996-V1037 HydrophobicContact CG2-CG2 3.8Å; L1033-V1037 WeakPolarHBondContact O-CG2 3.45Å; L1033-V1037 PolarHBondContact O-N 2.92Å; D1034-V1037 PolarHBondContact O-N 3.44Å; A1035-V1037 PolarHBondContact O-N 3Å; V1037-S1039 PolarHBondContact O-N 2.92Å; V1037-S1040 VanDerWaalsContact O-CB 3.24Å; V1037-S1040 WeakPolarHBondContact O-CB 3.43Å; V1037-S1040 PolarHBondContact O-N 2.82Å; V1037-S1040 VanDerWaalsContact O-N 3.15Å; V1037-S1040 PolarHBondContact O-OG 2.98Å
1038M91.4Very high85.9Confident133 Ų13369.1 Ų69.166%0.65537%0.368SS*.Hα-helixtrans-63.4-28.7176.3-71-173.1-67.200112.9F280 D1034 A1035 S1040F280-M1038 HydrophobicContact CZ-SD 4.16Å; D1034-M1038 WeakPolarHBondContact O-CG 3.48Å; D1034-M1038 PolarHBondContact O-N 3.45Å; A1035-M1038 PolarHBondContact O-N 2.97Å; M1038-S1040 VanDerWaalsContact C-N 3.28Å; M1038-S1040 PolarHBondContact O-N 3.22Å
1039S89.3Confident85.6Confident58 Ų5869.2 Ų69.241%0.40636%0.363SS..THydrogen-bonded Turntrans-83.84.9177.175.20000114.7A1035 M1036 V1037A1035-S1039 WeakPolarHBondContact O-CB 3.29Å; A1035-S1039 PolarHBondContact O-N 2.83Å; A1035-S1039 PolarHBondContact O-OG 2.81Å; M1036-S1039 WeakPolarHBondContact CA-OG 3.41Å; M1036-S1039 PolarHBondContact O-N 3.46Å; M1036-S1039 PolarHBondContact O-OG 2.85Å; V1037-S1039 PolarHBondContact O-N 2.92Å
1040S89.8Confident85Confident24 Ų2473.2 Ų73.217%0.16839%0.385CS..  trans-61.5140.2-176.356.60000113.1M814 M1036 V1037 M1038M814-S1040 VanDerWaalsContact O-CA 3.23Å; M814-S1040 WeakPolarHBondContact O-CA 3.18Å; M814-S1040 WeakPolarHBondContact O-CB 3.05Å; M1036-S1040 PolarHBondContact O-N 2.53Å; V1037-S1040 VanDerWaalsContact O-CB 3.24Å; V1037-S1040 WeakPolarHBondContact O-CB 3.43Å; V1037-S1040 PolarHBondContact O-N 2.82Å; V1037-S1040 VanDerWaalsContact O-N 3.15Å; V1037-S1040 PolarHBondContact O-OG 2.98Å; M1038-S1040 VanDerWaalsContact C-N 3.28Å; M1038-S1040 PolarHBondContact O-N 3.22Å
1041K87.4Confident84.4Confident91 Ų9175.4 Ų75.440%0.39640%0.397SS..BIsolated β-bridgetrans-115.5160.2-177.1-57.6-170.1-171.4179.80110.5E784 V813 M814 W815 R816E784-K1041 IonicContact OE1-NZ 3.3Å; E784-K1041 PolarHBondContact OE1-NZ 2.81Å; V813-K1041 HydrophobicContact CG1-CB 3.99Å; V813-K1041 HydrophobicContact CG1-CD 3.87Å; V813-K1041 HydrophobicContact CG1-CG 3.71Å; M814-K1041 PolarHBondContact O-N 3.1Å; W815-K1041 CarbonylContact C-O 3.54Å; W815-K1041 VanDerWaalsContact CA-O 3.24Å; W815-K1041 WeakPolarHBondContact CA-O 3.18Å; R816-K1041 PolarHBondContact N-O 3.03Å
1042D84.2Confident83.8Confident98 Ų9872.4 Ų72.452%0.52438%0.382SS..  trans-65.8148.3171.7-63.2-54.6000110.5R816R816-D1042 WeakPolarHBondContact CD-OD1 3.43Å; R816-D1042 IonicContact CZ-OD1 3.46Å; R816-D1042 VanDerWaalsContact CZ-OD1 3.31Å; R816-D1042 IonicContact CZ-OD2 2.77Å; R816-D1042 VanDerWaalsContact CZ-OD2 3.23Å; R816-D1042 IonicContact NE-OD1 2.72Å; R816-D1042 IonicContact NH1-OD1 2.74Å; R816-D1042 PolarHBondContact NH1-OD1 3.28Å; R816-D1042 IonicContact NH1-OD2 3.55Å; R816-D1042 PolarHBondContact NH1-OD2 3.4Å; R816-D1042 IonicContact NH2-OD2 2.66Å; R816-D1042 PolarHBondContact NH2-OD2 3.18Å
1043C76.9Confident83Confident26 Ų2673.6 Ų73.618%0.17639%0.392CS..  trans-73.6124.5176.1-174.80000109.3W815 Y1045 M1046W815-C1043 HydrophobicContact CB-CB 4.4Å; W815-C1043 HydrophobicContact CD2-CB 4.07Å; W815-C1043 HydrophobicContact CG-CB 3.97Å; C1043-Y1045 PolarHBondContact O-N 3.32Å; C1043-Y1045 VanDerWaalsContact O-N 3.14Å; C1043-M1046 HydrophobicContact CB-CG 4.25Å
1044P68.1Low82.1Confident84 Ų8479.2 Ų79.255%0.54542%0.422SS..THydrogen-bonded Turntrans-76.24.5-177.632.1-36.2000114
1045Y62.8Low81.1Confident153 Ų15380.6 Ų80.660%0.643%0.429SS*.THydrogen-bonded Turntrans-12426-177.3-55.3-69000112.7C1043C1043-Y1045 PolarHBondContact O-N 3.32Å; C1043-Y1045 VanDerWaalsContact O-N 3.14Å
1046M44.7Very low80Confident208 Ų20883.5 Ų83.5100%1.02543%0.431SS*.  trans-95.30167.6-83.4-166170.500111.1D817 C1043D817-M1046 HydrophobicContact CB-CE 4.28Å; C1043-M1046 HydrophobicContact CB-CG 4.25Å

Retrieved 1,046 of 1,046 residues in 565.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).