A0A075BIZ9_DROME Loading...

RNA helicase

AlphaFold DB , UniProt , Accession A0A075BIZ9, Species DROME (Drosophila melanogaster, Fruit fly), Gene fs(1)Yb, Length 1,046 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M30.3Very low49.1Very low227 Ų227115.1 Ų115.1100%1.11864%0.641SS**  0121.20-81.3170.9161.300107.2
2E21.6Very low51.2Low178 Ų178114.8 Ų114.883%0.83263%0.629SS**  trans-83157.8166-66.6-178.6139.400109.2I4E2-I4 PolarHBondContact O-N 3.37Å
3P26.1Very low53.7Low130 Ų130115.9 Ų115.984%0.84462%0.623SS**  trans-69.9110.7176.328.4-33.5000110.4G5P3-G5 PolarHBondContact O-N 3.16Å
4I33.6Very low55.6Low139 Ų139112 Ų11271%0.71361%0.605SS**PPolyproline II helixtrans-65.1120.1172.2-58.5173.1000108.2E2 L7E2-I4 PolarHBondContact O-N 3.37Å; I4-L7 HydrophobicContact CG2-CD1 3.91Å
5G33.4Very low56.8Low56 Ų56111.4 Ų111.458%0.57761%0.607SS**PPolyproline II helixtrans-64.6165177.800000113.3P3 L7P3-G5 PolarHBondContact O-N 3.16Å; G5-L7 PolarHBondContact O-N 3.13Å; G5-L7 VanDerWaalsContact O-N 3.16Å
6D42.7Very low57.3Low107 Ų107109.1 Ų109.157%0.57260%0.601SS**PPolyproline II helixtrans-57117.9-179.4-85.2-27.8000112Q8 H38 K42D6-Q8 PolarHBondContact O-N 3.04Å; D6-H38 IonicContact OD1-CE1 2.69Å; D6-H38 PolarHBondContact OD1-CE1 2.86Å; D6-H38 IonicContact OD1-NE2 3.29Å; D6-H38 PolarHBondContact OD1-NE2 3.07Å; D6-K42 IonicContact OD1-NZ 2.66Å; D6-K42 PolarHBondContact OD1-NZ 2.85Å; D6-K42 IonicContact OD2-NZ 3.03Å; D6-K42 PolarHBondContact OD2-NZ 2.84Å
7L56.2Low57.5Low57 Ų57107.6 Ų107.630%0.29862%0.617SS.*  trans-6997.2174.9-88.480.1000109.9I4 G5 V9 D34 F35I4-L7 HydrophobicContact CG2-CD1 3.91Å; G5-L7 PolarHBondContact O-N 3.13Å; G5-L7 VanDerWaalsContact O-N 3.16Å; L7-V9 PolarHBondContact O-N 2.89Å; L7-D34 HydrophobicContact CD2-CB 3.92Å; L7-F35 HydrophobicContact CD2-CB 4.4Å
8Q60.2Low57.9Low190 Ų190105.8 Ų105.889%0.88863%0.625SS**  trans-72.4109.7167.7-68.3-168.4-0.300110.1D6D6-Q8 PolarHBondContact O-N 3.04Å
9V76.3Confident58.7Low26 Ų26102.9 Ų102.916%0.15861%0.609CS.*  trans-107.2133.7173.7169.60000109.1L7 S11 A24 P26 F35L7-V9 PolarHBondContact O-N 2.89Å; V9-S11 PolarHBondContact O-N 2.82Å; V9-A24 HydrophobicContact CG1-CB 4.06Å; V9-P26 HydrophobicContact CG1-CB 4.22Å; V9-P26 HydrophobicContact CG1-CG 3.93Å; V9-P26 HydrophobicContact CG2-CB 4.3Å; V9-F35 HydrophobicContact CB-CD2 3.94Å; V9-F35 HydrophobicContact CB-CE2 3.99Å; V9-F35 HydrophobicContact CB-CG 4.42Å; V9-F35 HydrophobicContact CG2-CB 3.98Å; V9-F35 HydrophobicContact CG2-CD2 3.47Å; V9-F35 VanDerWaalsContact CG2-CD2 3.47Å; V9-F35 HydrophobicContact CG2-CE2 4.05Å; V9-F35 HydrophobicContact CG2-CG 3.76Å
10P78.9Confident59.6Low78 Ų78100.7 Ų100.751%0.50660%0.596SS.*  trans-53.4128171.8-25.734.7000110.9A24 S25P10-A24 WeakPolarHBondContact O-CA 3.46Å; P10-S25 PolarHBondContact O-N 3.27Å
11S81.2Confident60.7Low78 Ų7896.2 Ų96.255%0.54557%0.569SS.*EExtended strand (participates in β ladder)trans-149.7150.3-178.464.10000112.4V9 Y23V9-S11 PolarHBondContact O-N 2.82Å; S11-Y23 CarbonylContact C-O 3.28Å; S11-Y23 WeakPolarHBondContact CA-O 3.49Å; S11-Y23 WeakPolarHBondContact CB-O 3.29Å
12F74.6Confident63.4Low112 Ų11286 Ų8649%0.49152%0.52SS..EExtended strand (participates in β ladder)trans-140157.4177.163.7-85.5000110.3V14 T22 Y23F12-V14 HydrophobicContact CD2-CG2 3.76Å; F12-V14 HydrophobicContact CE2-CG2 3.65Å; F12-T22 CarbonylContact O-C 3.55Å; F12-T22 WeakPolarHBondContact O-CA 3.1Å; F12-Y23 HydrophobicContact CD2-CD2 4.35Å; F12-Y23 HydrophobicContact CE1-CG 4.3Å; F12-Y23 AromaticContact CE2-CD2 3.77Å; F12-Y23 HydrophobicContact CE2-CD2 3.77Å; F12-Y23 AromaticContact CE2-CG 3.9Å; F12-Y23 HydrophobicContact CE2-CG 3.9Å; F12-Y23 VanDerWaalsContact CZ-CB 3.46Å; F12-Y23 HydrophobicContact CZ-CD1 4.36Å; F12-Y23 HydrophobicContact CZ-CD2 4.09Å; F12-Y23 AromaticContact CZ-CG 3.72Å; F12-Y23 HydrophobicContact CZ-CG 3.72Å; F12-Y23 PolarHBondContact N-O 2.87Å; F12-Y23 PolarHBondContact O-N 2.88Å
13K83.3Confident66.4Low129 Ų12979.8 Ų79.856%0.56149%0.489SS*.EExtended strand (participates in β ladder)trans-114.6134.6-179.9-61.4-155.8178.6-147.50111.6T20 F21 T22 E144K13-T20 HydrophobicContact CB-CG2 4.25Å; K13-T20 HydrophobicContact CD-CG2 3.97Å; K13-F21 CarbonylContact C-O 3.6Å; K13-F21 VanDerWaalsContact CA-O 3.29Å; K13-F21 WeakPolarHBondContact CA-O 3.35Å; K13-T22 WeakPolarHBondContact CE-OG1 3.44Å; K13-T22 HydrophobicContact CG-CG2 4.17Å; K13-T22 PolarHBondContact NZ-OG1 3.43Å; K13-E144 IonicContact NZ-OE1 2.85Å; K13-E144 PolarHBondContact NZ-OE1 2.81Å
14V79.6Confident69.2Low61 Ų6173.7 Ų73.737%0.3745%0.449SS..EExtended strand (participates in β ladder)trans-124.1132.2176.5-176.50000108.5F12 F21 Y23F12-V14 HydrophobicContact CD2-CG2 3.76Å; F12-V14 HydrophobicContact CE2-CG2 3.65Å; V14-F21 PolarHBondContact N-O 2.97Å; V14-F21 PolarHBondContact O-N 3.13Å; V14-Y23 HydrophobicContact CB-CD2 4.47Å; V14-Y23 HydrophobicContact CB-CE2 4.11Å; V14-Y23 HydrophobicContact CG2-CD2 4.01Å; V14-Y23 HydrophobicContact CG2-CE2 3.97Å
15V74Confident71.6Confident103 Ų10369 Ų6962%0.62443%0.429SS*.EExtended strand (participates in β ladder)trans-100.5121.7173.5-174.90000108.7T19V15-T19 WeakPolarHBondContact CA-O 3.31Å
16S64.6Low74Confident74 Ų7466.3 Ų66.352%0.51740%0.402SS..EExtended strand (participates in β ladder)trans-139.9134.6177.1-173.80000110.3G18 T19S16-G18 PolarHBondContact O-N 3.24Å; S16-G18 VanDerWaalsContact O-N 3.1Å; S16-T19 PolarHBondContact N-O 3.07Å; S16-T19 PolarHBondContact O-N 3.22Å; S16-T19 VanDerWaalsContact O-O 3.13Å
17G61.7Low75.5Confident85 Ų8569.2 Ų69.288%0.87641%0.409SS*.THydrogen-bonded Turntrans57.424-177.700000114.9T19G17-T19 VanDerWaalsContact C-N 3.26Å; G17-T19 PolarHBondContact O-N 3.45Å
18G64.8Low76.6Confident74 Ų7468.6 Ų68.676%0.76341%0.409SS*.THydrogen-bonded Turntrans79.2-1.2-172.800000115.2S16S16-G18 PolarHBondContact O-N 3.24Å; S16-G18 VanDerWaalsContact O-N 3.1Å
19T72.7Confident77.4Confident51 Ų5162 Ų6231%0.31339%0.393SS..EExtended strand (participates in β ladder)trans-98.6140175.3-560000110.2V15 S16 G17 F21 M145V15-T19 WeakPolarHBondContact CA-O 3.31Å; S16-T19 PolarHBondContact N-O 3.07Å; S16-T19 PolarHBondContact O-N 3.22Å; S16-T19 VanDerWaalsContact O-O 3.13Å; G17-T19 VanDerWaalsContact C-N 3.26Å; G17-T19 PolarHBondContact O-N 3.45Å; T19-F21 HydrophobicContact CG2-CD2 4.49Å; T19-F21 HydrophobicContact CG2-CE2 3.94Å; T19-F21 HydrophobicContact CG2-CZ 4.05Å; T19-M145 HydrophobicContact CG2-CB 4.42Å; T19-M145 HydrophobicContact CG2-CE 4.21Å; T19-M145 HydrophobicContact CG2-CG 3.44Å; T19-M145 VanDerWaalsContact CG2-CG 3.44Å
20T76.8Confident77.5Confident58 Ų5863.2 Ų63.236%0.35641%0.406SS..EExtended strand (participates in β ladder)trans-96.9119.8175.9-58.20000110.3K13 M145K13-T20 HydrophobicContact CB-CG2 4.25Å; K13-T20 HydrophobicContact CD-CG2 3.97Å; T20-M145 PolarHBondContact O-N 3.18Å
21F83.2Confident77.5Confident8 Ų860.7 Ų60.74%0.03539%0.391CS..EExtended strand (participates in β ladder)trans-100.4120.4174-64.8-92.2000109.5K13 V14 T19 Y23 F129 L133 M145 V147K13-F21 CarbonylContact C-O 3.6Å; K13-F21 VanDerWaalsContact CA-O 3.29Å; K13-F21 WeakPolarHBondContact CA-O 3.35Å; V14-F21 PolarHBondContact N-O 2.97Å; V14-F21 PolarHBondContact O-N 3.13Å; T19-F21 HydrophobicContact CG2-CD2 4.49Å; T19-F21 HydrophobicContact CG2-CE2 3.94Å; T19-F21 HydrophobicContact CG2-CZ 4.05Å; F21-Y23 HydrophobicContact CB-CD2 4.13Å; F21-Y23 HydrophobicContact CB-CE2 3.55Å; F21-Y23 HydrophobicContact CG-CE2 4.41Å; F21-F129 HydrophobicContact CE1-CZ 4.41Å; F21-L133 HydrophobicContact CE1-CD1 4.41Å; F21-L133 HydrophobicContact CE1-CD2 3.7Å; F21-L133 HydrophobicContact CZ-CD1 3.9Å; F21-L133 HydrophobicContact CZ-CD2 3.67Å; F21-L133 HydrophobicContact CZ-CG 4.46Å; F21-M145 CarbonylContact C-O 3.58Å; F21-M145 WeakPolarHBondContact CA-O 3.41Å; F21-M145 HydrophobicContact CD1-CB 3.36Å; F21-M145 HydrophobicContact CD1-CG 3.93Å; F21-M145 HydrophobicContact CE1-CB 3.59Å; F21-M145 HydrophobicContact CE1-CG 3.61Å; F21-M145 HydrophobicContact CE1-SD 4.4Å; F21-M145 HydrophobicContact CG-CB 4.03Å; F21-M145 HydrophobicContact CZ-CB 4.42Å; F21-M145 HydrophobicContact CZ-CG 4.08Å; F21-V147 HydrophobicContact CD1-CG2 4.11Å
22T86.9Confident77.6Confident13 Ų1357.8 Ų57.88%0.0837%0.371CS..EExtended strand (participates in β ladder)trans-91.1114.6165.3-50.30000107.6F12 K13 M145 L146 V147F12-T22 CarbonylContact O-C 3.55Å; F12-T22 WeakPolarHBondContact O-CA 3.1Å; K13-T22 WeakPolarHBondContact CE-OG1 3.44Å; K13-T22 HydrophobicContact CG-CG2 4.17Å; K13-T22 PolarHBondContact NZ-OG1 3.43Å; T22-M145 PolarHBondContact N-O 3.31Å; T22-L146 HydrophobicContact CG2-CD1 4.14Å; T22-L146 CarbonylContact O-C 3.6Å; T22-L146 WeakPolarHBondContact O-CA 3.31Å; T22-V147 PolarHBondContact O-N 3.21Å
23Y83.4Confident78.3Confident47 Ų4753.7 Ų53.718%0.18435%0.354CS..EExtended strand (participates in β ladder)trans-89.9131.8170.1-70.6-96.6000108.3S11 F12 V14 F21 V147 T149S11-Y23 CarbonylContact C-O 3.28Å; S11-Y23 WeakPolarHBondContact CA-O 3.49Å; S11-Y23 WeakPolarHBondContact CB-O 3.29Å; F12-Y23 HydrophobicContact CD2-CD2 4.35Å; F12-Y23 HydrophobicContact CE1-CG 4.3Å; F12-Y23 AromaticContact CE2-CD2 3.77Å; F12-Y23 HydrophobicContact CE2-CD2 3.77Å; F12-Y23 AromaticContact CE2-CG 3.9Å; F12-Y23 HydrophobicContact CE2-CG 3.9Å; F12-Y23 VanDerWaalsContact CZ-CB 3.46Å; F12-Y23 HydrophobicContact CZ-CD1 4.36Å; F12-Y23 HydrophobicContact CZ-CD2 4.09Å; F12-Y23 AromaticContact CZ-CG 3.72Å; F12-Y23 HydrophobicContact CZ-CG 3.72Å; F12-Y23 PolarHBondContact N-O 2.87Å; F12-Y23 PolarHBondContact O-N 2.88Å; V14-Y23 HydrophobicContact CB-CD2 4.47Å; V14-Y23 HydrophobicContact CB-CE2 4.11Å; V14-Y23 HydrophobicContact CG2-CD2 4.01Å; V14-Y23 HydrophobicContact CG2-CE2 3.97Å; F21-Y23 HydrophobicContact CB-CD2 4.13Å; F21-Y23 HydrophobicContact CB-CE2 3.55Å; F21-Y23 HydrophobicContact CG-CE2 4.41Å; Y23-V147 CarbonylContact C-O 3.56Å; Y23-V147 WeakPolarHBondContact CA-O 3.33Å; Y23-V147 HydrophobicContact CD1-CB 3.68Å; Y23-V147 HydrophobicContact CD1-CG1 3.66Å; Y23-V147 HydrophobicContact CD1-CG2 4.31Å; Y23-V147 HydrophobicContact CE1-CB 3.81Å; Y23-V147 HydrophobicContact CE1-CG1 3.64Å; Y23-V147 HydrophobicContact CE1-CG2 4Å; Y23-V147 HydrophobicContact CG-CB 4.25Å; Y23-T149 HydrophobicContact CD1-CG2 4.07Å
24A85.4Confident78.3Confident1 Ų150.7 Ų50.71%0.00834%0.344CS..EExtended strand (participates in β ladder)trans-125.1136.1176.300000109.4V9 P10 P26 F35 L146 V147 I148 T149V9-A24 HydrophobicContact CG1-CB 4.06Å; P10-A24 WeakPolarHBondContact O-CA 3.46Å; A24-P26 WeakPolarHBondContact O-CD 3.36Å; A24-F35 HydrophobicContact CB-CE1 3.8Å; A24-F35 HydrophobicContact CB-CZ 4.01Å; A24-L146 HydrophobicContact CB-CD1 4.07Å; A24-V147 PolarHBondContact N-O 2.85Å; A24-I148 WeakPolarHBondContact O-CA 3.38Å; A24-T149 PolarHBondContact O-N 2.9Å; A24-T149 PolarHBondContact O-OG1 3.28Å
25S83.9Confident78.6Confident40 Ų4049.2 Ų49.228%0.2833%0.333SS..  trans-124.481.2-173.4-53.30000110.9P10 T149P10-S25 PolarHBondContact O-N 3.27Å; S25-T149 WeakPolarHBondContact CA-OG1 3.11Å; S25-T149 WeakPolarHBondContact CB-OG1 3.18Å; S25-T149 PolarHBondContact OG-OG1 3.31Å
26P83.1Confident79.3Confident1 Ų144.4 Ų44.41%0.00630%0.304CS..  trans-72.1140.1178.8-11.328.4000110.6V9 A24 S28 A31 S32 F35 I148 C151V9-P26 HydrophobicContact CG1-CB 4.22Å; V9-P26 HydrophobicContact CG1-CG 3.93Å; V9-P26 HydrophobicContact CG2-CB 4.3Å; A24-P26 WeakPolarHBondContact O-CD 3.36Å; P26-S28 PolarHBondContact O-N 2.78Å; P26-A31 HydrophobicContact CB-CB 4.12Å; P26-S32 WeakPolarHBondContact CB-OG 3.35Å; P26-S32 WeakPolarHBondContact CG-OG 3.31Å; P26-F35 HydrophobicContact CG-CD1 4.31Å; P26-I148 HydrophobicContact CG-CG2 4.11Å; P26-C151 WeakPolarHBondContact O-CB 3.39Å
27K75.1Confident80.3Confident167 Ų16741 Ų4173%0.72628%0.279SS*.SBendtrans-65.1-7.9-169-60.3-173.7179.1-174.90116.5
28S78.5Confident81.4Confident44 Ų4438.7 Ų38.731%0.30825%0.246SC..SBendtrans-163.9163.1177.672.20000110.6P26 A30 A31 S32P26-S28 PolarHBondContact O-N 2.78Å; S28-A30 PolarHBondContact O-N 3.3Å; S28-A31 PolarHBondContact O-N 3.05Å; S28-A31 VanDerWaalsContact O-N 3.09Å; S28-A31 PolarHBondContact OG-N 3.24Å; S28-S32 PolarHBondContact O-N 3.06Å; S28-S32 PolarHBondContact O-OG 3.25Å
29G77.3Confident82.4Confident53 Ų5336.1 Ų36.155%0.54622%0.215SC..Hα-helixtrans-57.7-32.6176.500000114.1L33G29-L33 WeakPolarHBondContact O-CG 3.3Å; G29-L33 PolarHBondContact O-N 2.73Å
30A78.5Confident83Confident51 Ų5134.5 Ų34.542%0.42121%0.205SC..Hα-helixtrans-68.2-48.417300000111.3S28 S32 L33 D34S28-A30 PolarHBondContact O-N 3.3Å; A30-S32 PolarHBondContact O-N 3.43Å; A30-L33 PolarHBondContact O-N 2.97Å; A30-D34 VanDerWaalsContact O-CG 3.3Å; A30-D34 PolarHBondContact O-N 3.37Å
31A79.3Confident83.1Confident25 Ų2538.3 Ų38.321%0.20721%0.213CC..Hα-helixtrans-60.4-31.9176.500000112.4P26 S28 F35P26-A31 HydrophobicContact CB-CB 4.12Å; S28-A31 PolarHBondContact O-N 3.05Å; S28-A31 VanDerWaalsContact O-N 3.09Å; S28-A31 PolarHBondContact OG-N 3.24Å; A31-F35 WeakPolarHBondContact O-CB 3.22Å; A31-F35 PolarHBondContact O-N 3.19Å
32S83.7Confident82.7Confident16 Ų1644 Ų4411%0.11224%0.238CC..Hα-helixtrans-63.2-42.3172.7-63.30000112.9P26 S28 A30 L36P26-S32 WeakPolarHBondContact CB-OG 3.35Å; P26-S32 WeakPolarHBondContact CG-OG 3.31Å; S28-S32 PolarHBondContact O-N 3.06Å; S28-S32 PolarHBondContact O-OG 3.25Å; A30-S32 PolarHBondContact O-N 3.43Å; S32-L36 WeakPolarHBondContact O-CB 3.32Å; S32-L36 PolarHBondContact O-N 2.91Å
33L87.9Confident81.7Confident26 Ų2646.6 Ų46.614%0.13625%0.246CC..Hα-helixtrans-73.5-35.2178.8-67.1164.7000111.9G29 A30 A37 L63 E66G29-L33 WeakPolarHBondContact O-CG 3.3Å; G29-L33 PolarHBondContact O-N 2.73Å; A30-L33 PolarHBondContact O-N 2.97Å; L33-A37 VanDerWaalsContact O-CB 3.3Å; L33-A37 WeakPolarHBondContact O-CB 3.42Å; L33-A37 PolarHBondContact O-N 2.87Å; L33-L63 HydrophobicContact CD2-CD1 3.72Å; L33-E66 HydrophobicContact CD1-CB 4Å; L33-E66 HydrophobicContact CD1-CG 4.02Å; L33-E66 WeakPolarHBondContact CD1-OE2 3.23Å; L33-E66 HydrophobicContact CD2-CB 3.89Å; L33-E66 HydrophobicContact CD2-CG 4.46Å
34D83.9Confident80.3Confident67 Ų6751 Ų5136%0.35827%0.268SS..Hα-helixtrans-71.3-41.4176.3-62.1-25.9000111.7L7 A30 A37 H38 R70L7-D34 HydrophobicContact CD2-CB 3.92Å; A30-D34 VanDerWaalsContact O-CG 3.3Å; A30-D34 PolarHBondContact O-N 3.37Å; D34-A37 PolarHBondContact O-N 2.73Å; D34-H38 WeakPolarHBondContact O-CB 3.42Å; D34-H38 PolarHBondContact O-N 3.4Å; D34-R70 IonicContact OD1-CZ 3.87Å; D34-R70 IonicContact OD1-NE 2.73Å; D34-R70 PolarHBondContact OD1-NE 2.87Å; D34-R70 IonicContact OD1-NH2 3.71Å; D34-R70 PolarHBondContact OD1-NH2 2.81Å
35F85.9Confident78.7Confident29 Ų2954.2 Ų54.213%0.12730%0.295CS..Hα-helixtrans-61.2-45.7170.9172-109.1000111.5L7 V9 A24 P26 A31 H38 T39 L146 I148L7-F35 HydrophobicContact CD2-CB 4.4Å; V9-F35 HydrophobicContact CB-CD2 3.94Å; V9-F35 HydrophobicContact CB-CE2 3.99Å; V9-F35 HydrophobicContact CB-CG 4.42Å; V9-F35 HydrophobicContact CG2-CB 3.98Å; V9-F35 HydrophobicContact CG2-CD2 3.47Å; V9-F35 VanDerWaalsContact CG2-CD2 3.47Å; V9-F35 HydrophobicContact CG2-CE2 4.05Å; V9-F35 HydrophobicContact CG2-CG 3.76Å; A24-F35 HydrophobicContact CB-CE1 3.8Å; A24-F35 HydrophobicContact CB-CZ 4.01Å; P26-F35 HydrophobicContact CG-CD1 4.31Å; A31-F35 WeakPolarHBondContact O-CB 3.22Å; A31-F35 PolarHBondContact O-N 3.19Å; F35-H38 PolarHBondContact O-N 3.1Å; F35-T39 PolarHBondContact O-N 3.43Å; F35-T39 PolarHBondContact O-OG1 2.16Å; F35-L146 HydrophobicContact CE1-CD2 4.33Å; F35-I148 HydrophobicContact CD1-CD1 4.31Å; F35-I148 HydrophobicContact CE1-CG1 4.46Å
36L88.3Confident77.2Confident3 Ų358.4 Ų58.42%0.01631%0.314CS..Hα-helixtrans-62.4-44.6177.8-17559.4000111.7S32 H38 T39 L40 L52 L63 L67 I119 T121 I148S32-L36 WeakPolarHBondContact O-CB 3.32Å; S32-L36 PolarHBondContact O-N 2.91Å; L36-H38 VanDerWaalsContact C-N 3.34Å; L36-H38 PolarHBondContact O-N 2.86Å; L36-T39 PolarHBondContact O-N 2.88Å; L36-L40 HydrophobicContact CD1-CD1 4.21Å; L36-L40 HydrophobicContact CD1-CG 4.45Å; L36-L40 HydrophobicContact CG-CD1 4.06Å; L36-L40 WeakPolarHBondContact O-CB 3.47Å; L36-L40 VanDerWaalsContact O-CG 3.25Å; L36-L40 WeakPolarHBondContact O-CG 3.47Å; L36-L40 PolarHBondContact O-N 3.48Å; L36-L52 HydrophobicContact CD1-CD2 3.73Å; L36-L52 HydrophobicContact CD2-CD2 4Å; L36-L52 HydrophobicContact CG-CD2 4.24Å; L36-L63 HydrophobicContact CD2-CD1 3.74Å; L36-L67 HydrophobicContact CB-CD2 4.49Å; L36-L67 HydrophobicContact CD2-CD1 4.18Å; L36-L67 HydrophobicContact CD2-CD2 4.19Å; L36-L67 HydrophobicContact CG-CD2 4.12Å; L36-I119 HydrophobicContact CD1-CD1 3.56Å; L36-I119 HydrophobicContact CD1-CG2 3.9Å; L36-T121 HydrophobicContact CD2-CG2 3.92Å; L36-I148 HydrophobicContact CB-CD1 4.24Å; L36-I148 HydrophobicContact CD1-CD1 4Å
37A87.1Confident76Confident1 Ų162.6 Ų62.61%0.00834%0.34CS..Hα-helixtrans-62.5-41.1174.600000111.7L33 D34 L40 R41 L67 R70 V72L33-A37 VanDerWaalsContact O-CB 3.3Å; L33-A37 WeakPolarHBondContact O-CB 3.42Å; L33-A37 PolarHBondContact O-N 2.87Å; D34-A37 PolarHBondContact O-N 2.73Å; A37-L40 PolarHBondContact O-N 3.13Å; A37-R41 VanDerWaalsContact O-CG 3.29Å; A37-R41 WeakPolarHBondContact O-CG 3.25Å; A37-R41 PolarHBondContact O-N 2.73Å; A37-L67 HydrophobicContact CB-CD2 4.13Å; A37-R70 HydrophobicContact CB-CB 3.85Å; A37-V72 HydrophobicContact CB-CG2 3.87Å
38H84.5Confident75.7Confident37 Ų3757.9 Ų57.917%0.17132%0.32CS..Hα-helixtrans-62.1-48.4174.7179.696.6000112D6 D34 F35 L36 L40 R41 K42D6-H38 IonicContact OD1-CE1 2.69Å; D6-H38 PolarHBondContact OD1-CE1 2.86Å; D6-H38 IonicContact OD1-NE2 3.29Å; D6-H38 PolarHBondContact OD1-NE2 3.07Å; D34-H38 WeakPolarHBondContact O-CB 3.42Å; D34-H38 PolarHBondContact O-N 3.4Å; F35-H38 PolarHBondContact O-N 3.1Å; L36-H38 VanDerWaalsContact C-N 3.34Å; L36-H38 PolarHBondContact O-N 2.86Å; H38-L40 VanDerWaalsContact C-N 3.31Å; H38-L40 PolarHBondContact O-N 3.48Å; H38-R41 PolarHBondContact O-N 2.79Å; H38-R41 VanDerWaalsContact O-N 3.14Å; H38-K42 VanDerWaalsContact NE2-CD 3.32Å; H38-K42 WeakPolarHBondContact NE2-CD 3.42Å; H38-K42 VanDerWaalsContact O-CB 3.29Å; H38-K42 WeakPolarHBondContact O-CB 2.87Å; H38-K42 PolarHBondContact O-N 3.33Å
39T84.2Confident76Confident20 Ų2057.4 Ų57.412%0.12331%0.313CS..Hα-helixtrans-57.5-42.7176.2-64.60000112.1F35 L36 R41 K42 R43 L117 L146F35-T39 PolarHBondContact O-N 3.43Å; F35-T39 PolarHBondContact O-OG1 2.16Å; L36-T39 PolarHBondContact O-N 2.88Å; T39-R41 VanDerWaalsContact C-N 3.35Å; T39-K42 PolarHBondContact O-N 2.95Å; T39-R43 PolarHBondContact O-N 3.48Å; T39-L117 HydrophobicContact CG2-CD2 4.3Å; T39-L146 HydrophobicContact CG2-CD2 4.34Å
40L85.3Confident76.5Confident18 Ų1855.3 Ų55.39%0.09429%0.289CS..Hα-helixtrans-73.9-19.8179.1-67.4171.6000114.1L36 A37 H38 T50 L52 L67 V72 A99 I119L36-L40 HydrophobicContact CD1-CD1 4.21Å; L36-L40 HydrophobicContact CD1-CG 4.45Å; L36-L40 HydrophobicContact CG-CD1 4.06Å; L36-L40 WeakPolarHBondContact O-CB 3.47Å; L36-L40 VanDerWaalsContact O-CG 3.25Å; L36-L40 WeakPolarHBondContact O-CG 3.47Å; L36-L40 PolarHBondContact O-N 3.48Å; A37-L40 PolarHBondContact O-N 3.13Å; H38-L40 VanDerWaalsContact C-N 3.31Å; H38-L40 PolarHBondContact O-N 3.48Å; L40-T50 HydrophobicContact CD2-CG2 3.72Å; L40-L52 HydrophobicContact CD1-CD1 4.02Å; L40-L52 HydrophobicContact CD1-CD2 4.26Å; L40-L67 HydrophobicContact CD1-CD1 3.96Å; L40-L67 HydrophobicContact CD1-CD2 4.24Å; L40-V72 HydrophobicContact CB-CG1 3.78Å; L40-V72 HydrophobicContact CD1-CG1 3.84Å; L40-V72 HydrophobicContact CG-CG1 4.45Å; L40-A99 HydrophobicContact CD2-CB 3.83Å; L40-I119 HydrophobicContact CD2-CD1 4.25Å
41R80.6Confident77.1Confident138 Ų13852.9 Ų52.952%0.52127%0.269SS..Hα-helixtrans-89.4-29.1171.6-69-175.3-147.1128.8-10.2113.3A37 H38 T39 R70 V72A37-R41 VanDerWaalsContact O-CG 3.29Å; A37-R41 WeakPolarHBondContact O-CG 3.25Å; A37-R41 PolarHBondContact O-N 2.73Å; H38-R41 PolarHBondContact O-N 2.79Å; H38-R41 VanDerWaalsContact O-N 3.14Å; T39-R41 VanDerWaalsContact C-N 3.35Å; R41-R70 PolarHBondContact NE-O 3.29Å; R41-R70 PolarHBondContact NH2-O 3.45Å; R41-V72 HydrophobicContact CG-CG2 3.95Å
42K73.4Confident77.7Confident128 Ų12851.7 Ų51.756%0.55726%0.259SS*.Hα-helixtrans-82-25.4-174.8-169.8162.7-174.8170.10113.3D6 H38 T39D6-K42 IonicContact OD1-NZ 2.66Å; D6-K42 PolarHBondContact OD1-NZ 2.85Å; D6-K42 IonicContact OD2-NZ 3.03Å; D6-K42 PolarHBondContact OD2-NZ 2.84Å; H38-K42 VanDerWaalsContact NE2-CD 3.32Å; H38-K42 WeakPolarHBondContact NE2-CD 3.42Å; H38-K42 VanDerWaalsContact O-CB 3.29Å; H38-K42 WeakPolarHBondContact O-CB 2.87Å; H38-K42 PolarHBondContact O-N 3.33Å; T39-K42 PolarHBondContact O-N 2.95Å
43R66.6Low78.1Confident67 Ų6751 Ų5125%0.25325%0.254SS..SBendtrans-83.2137.8167.1-71.8166.3179.8-106.68.5109.4T39 A45 E48 E144T39-R43 PolarHBondContact O-N 3.48Å; R43-A45 PolarHBondContact O-N 3.37Å; R43-A45 VanDerWaalsContact O-N 3.13Å; R43-E48 WeakPolarHBondContact CD-OE2 3.36Å; R43-E48 WeakPolarHBondContact CG-OE2 3.33Å; R43-E48 IonicContact CZ-OE2 3.66Å; R43-E48 IonicContact NE-OE2 3.79Å; R43-E48 IonicContact NH1-OE1 3.17Å; R43-E48 IonicContact NH1-OE2 3.32Å; R43-E48 PolarHBondContact NH1-OE2 2.94Å; R43-E144 IonicContact CZ-OE2 3.74Å; R43-E144 IonicContact NH1-OE2 3.17Å; R43-E144 IonicContact NH2-OE2 2.72Å; R43-E144 PolarHBondContact NH2-OE2 3.22Å
44E52.9Low78.2Confident138 Ų13849.8 Ų49.865%0.64525%0.248SC*.  trans-65.7113.3-175.5-76-172.2160.900111.6N46 T47 E48E44-N46 PolarHBondContact O-N 3.23Å; E44-T47 VanDerWaalsContact CB-OG1 3.27Å; E44-T47 WeakPolarHBondContact CB-OG1 3.26Å; E44-T47 PolarHBondContact O-N 2.94Å; E44-T47 VanDerWaalsContact O-N 3.11Å; E44-T47 PolarHBondContact O-OG1 3.03Å; E44-T47 PolarHBondContact OE2-OG1 2.8Å; E44-E48 PolarHBondContact O-N 3.15Å
45A53.1Low78.5Confident69 Ų6949.4 Ų49.457%0.5724%0.244SC*.THydrogen-bonded Turntrans-68.824.4-176.600000115.4R43 N97R43-A45 PolarHBondContact O-N 3.37Å; R43-A45 VanDerWaalsContact O-N 3.13Å; A45-N97 WeakPolarHBondContact O-CB 3.49Å
46N52.4Low78.5Confident128 Ų12852.8 Ų52.868%0.68426%0.26SS*.THydrogen-bonded Turntrans-134.1-6.2174.2-77.6-44.4000114.1E44 N97E44-N46 PolarHBondContact O-N 3.23Å; N46-N97 PolarHBondContact OD1-ND2 2.93Å
47T56.9Low78.3Confident90 Ų9054.7 Ų54.755%0.55227%0.271SS*.THydrogen-bonded Turntrans-126.6-31.4-173.645.90000113.6E44E44-T47 VanDerWaalsContact CB-OG1 3.27Å; E44-T47 WeakPolarHBondContact CB-OG1 3.26Å; E44-T47 PolarHBondContact O-N 2.94Å; E44-T47 VanDerWaalsContact O-N 3.11Å; E44-T47 PolarHBondContact O-OG1 3.03Å; E44-T47 PolarHBondContact OE2-OG1 2.8Å
48E70.1Confident78.1Confident67 Ų6760.7 Ų60.731%0.31330%0.297SS..  trans-105.3121.1179.8-68.9-170.1-170.400113.9R43 E44 T50 N116R43-E48 WeakPolarHBondContact CD-OE2 3.36Å; R43-E48 WeakPolarHBondContact CG-OE2 3.33Å; R43-E48 IonicContact CZ-OE2 3.66Å; R43-E48 IonicContact NE-OE2 3.79Å; R43-E48 IonicContact NH1-OE1 3.17Å; R43-E48 IonicContact NH1-OE2 3.32Å; R43-E48 PolarHBondContact NH1-OE2 2.94Å; E44-E48 PolarHBondContact O-N 3.15Å; E48-T50 PolarHBondContact O-N 2.99Å; E48-N116 HydrophobicContact CB-CB 4.19Å; E48-N116 HydrophobicContact CG-CB 4.31Å
49K83.8Confident78.3Confident35 Ų3560.3 Ų60.315%0.15230%0.295CS..  trans-83.1108174.6-70.7169.7-177.1163.30110.3W91 S92 E114 N116 L117K49-W91 HydrophobicContact CB-CH2 3.73Å; K49-W91 HydrophobicContact CB-CZ2 3.79Å; K49-W91 HydrophobicContact CB-CZ3 4.43Å; K49-W91 HydrophobicContact CG-CH2 4.44Å; K49-W91 HydrophobicContact CG-CZ2 4.39Å; K49-S92 WeakPolarHBondContact CE-O 3.36Å; K49-S92 PolarHBondContact NZ-O 2.98Å; K49-E114 WeakPolarHBondContact CD-O 3.43Å; K49-E114 IonicContact NZ-OE2 2.72Å; K49-N116 PolarHBondContact N-OD1 2.85Å; K49-N116 PolarHBondContact O-N 3.42Å; K49-L117 PolarHBondContact O-N 2.74Å
50T88.2Confident78.4Confident9 Ų959.4 Ų59.46%0.05529%0.289CS..EExtended strand (participates in β ladder)trans-105.5132.6-179.7-59.40000112.5L40 E48 A99 L100 L117 I119L40-T50 HydrophobicContact CD2-CG2 3.72Å; E48-T50 PolarHBondContact O-N 2.99Å; T50-A99 HydrophobicContact CG2-CB 4.39Å; T50-A99 WeakPolarHBondContact O-CA 3.41Å; T50-L100 PolarHBondContact O-N 3.12Å; T50-L117 WeakPolarHBondContact CA-O 3.49Å; T50-L117 HydrophobicContact CG2-CB 4.17Å; T50-L117 HydrophobicContact CG2-CD2 3.87Å; T50-L117 HydrophobicContact CG2-CG 4.09Å; T50-I119 HydrophobicContact CG2-CD1 3.87Å; T50-I119 HydrophobicContact CG2-CG1 4.06Å
51I90.8Very high78.6Confident0 Ų063.6 Ų63.60%031%0.309CS..EExtended strand (participates in β ladder)trans-106.1141.4171.5-58.6179.8000109.7I53 W91 L100 L102 L110 V113 A115 L117 V118 I119I51-I53 HydrophobicContact CG2-CD1 4.35Å; I51-I53 HydrophobicContact CG2-CG1 3.82Å; I51-W91 HydrophobicContact CD1-CH2 4.01Å; I51-W91 HydrophobicContact CD1-CZ3 4.35Å; I51-W91 HydrophobicContact CG1-CH2 3.55Å; I51-W91 HydrophobicContact CG1-CZ2 4.12Å; I51-W91 HydrophobicContact CG1-CZ3 4.33Å; I51-L100 CarbonylContact C-O 3.42Å; I51-L100 WeakPolarHBondContact CA-O 3.4Å; I51-L102 HydrophobicContact CG2-CD2 3.73Å; I51-L102 HydrophobicContact CG2-CG 4.17Å; I51-L110 HydrophobicContact CD1-CD2 4.05Å; I51-V113 HydrophobicContact CD1-CG2 4.2Å; I51-A115 HydrophobicContact CD1-CB 3.71Å; I51-A115 HydrophobicContact CG1-CB 4Å; I51-L117 PolarHBondContact N-O 2.8Å; I51-V118 HydrophobicContact CB-CG2 4.33Å; I51-I119 PolarHBondContact O-N 3.34Å
52L92.4Very high78.9Confident0 Ų064.9 Ų64.90%031%0.313CS..EExtended strand (participates in β ladder)trans-121.1116.1178.5-71.5150.5000108.3L36 L40 L63 L67 T74 A99 L100 I101 L102 I119 T121L36-L52 HydrophobicContact CD1-CD2 3.73Å; L36-L52 HydrophobicContact CD2-CD2 4Å; L36-L52 HydrophobicContact CG-CD2 4.24Å; L40-L52 HydrophobicContact CD1-CD1 4.02Å; L40-L52 HydrophobicContact CD1-CD2 4.26Å; L52-L63 HydrophobicContact CB-CD2 4.42Å; L52-L67 HydrophobicContact CD1-CD1 4.28Å; L52-T74 HydrophobicContact CD1-CG2 4.19Å; L52-A99 HydrophobicContact CD1-CB 3.66Å; L52-L100 PolarHBondContact N-O 3.39Å; L52-I101 HydrophobicContact CB-CB 4.29Å; L52-I101 HydrophobicContact CB-CG1 3.8Å; L52-I101 HydrophobicContact CB-CG2 4.48Å; L52-I101 HydrophobicContact CD1-CD1 4.34Å; L52-I101 HydrophobicContact CD1-CG1 3.56Å; L52-I101 HydrophobicContact CG-CG1 4.3Å; L52-I101 WeakPolarHBondContact O-CA 3.39Å; L52-L102 PolarHBondContact O-N 2.86Å; L52-I119 HydrophobicContact CD2-CB 4.05Å; L52-I119 HydrophobicContact CD2-CD1 4.01Å; L52-I119 HydrophobicContact CD2-CG1 4.46Å; L52-I119 HydrophobicContact CD2-CG2 4.45Å; L52-T121 HydrophobicContact CD2-CG2 3.92Å
53I91.7Very high79.6Confident0 Ų059.5 Ų59.50%029%0.291CS..EExtended strand (participates in β ladder)trans-111.4120.1-174-49.4179.2000110.5I51 L102 L107 V118 I119 T121 L136I51-I53 HydrophobicContact CG2-CD1 4.35Å; I51-I53 HydrophobicContact CG2-CG1 3.82Å; I53-L102 WeakPolarHBondContact CA-O 3.19Å; I53-L102 HydrophobicContact CG1-CD1 4.16Å; I53-L102 HydrophobicContact CG2-CD1 4.24Å; I53-L107 HydrophobicContact CD1-CD2 4.24Å; I53-V118 HydrophobicContact CD1-CG1 3.42Å; I53-V118 VanDerWaalsContact CD1-CG1 3.42Å; I53-V118 HydrophobicContact CG1-CG1 4.07Å; I53-I119 PolarHBondContact N-O 3.41Å; I53-T121 PolarHBondContact O-N 2.85Å; I53-T121 PolarHBondContact O-OG1 2.93Å; I53-L136 HydrophobicContact CD1-CD1 3.76Å; I53-L136 HydrophobicContact CD1-CD2 3.87Å; I53-L136 HydrophobicContact CD1-CG 4.31Å
54C91.1Very high80.8Confident2 Ų260.3 Ų60.31%0.01430%0.296CS..EExtended strand (participates in β ladder)trans-101.4166.5167.3-58.60000110.2E59 A60 L102 C103 D104 T121 T122C54-E59 HydrophobicContact CB-CB 3.78Å; C54-A60 HydrophobicContact CB-CB 4.09Å; C54-L102 PolarHBondContact N-O 2.91Å; C54-C103 CarbonylContact O-C 3.56Å; C54-C103 VanDerWaalsContact O-CA 3.29Å; C54-C103 WeakPolarHBondContact O-CA 3.5Å; C54-D104 PolarHBondContact O-N 2.87Å; C54-T121 PolarHBondContact SG-OG1 3.37Å; C54-T121 VanDerWaalsContact SG-OG1 3.34Å; C54-T122 WeakPolarHBondContact CA-OG1 3.46Å
55Q88.6Confident82.5Confident58 Ų5859.8 Ų59.827%0.27129%0.292SS..SBendtrans-78.6-50.3171.7-169.9-179.731.500110E59 D104 T122 P124Q55-E59 PolarHBondContact N-OE2 2.97Å; Q55-D104 WeakPolarHBondContact CA-OD2 3.47Å; Q55-D104 PolarHBondContact O-N 3.39Å; Q55-T122 PolarHBondContact N-OG1 2.94Å; Q55-P124 HydrophobicContact CG-CB 4.23Å
56Q86.4Confident84.2Confident100 Ų10057.9 Ų57.947%0.46727%0.271SS..SBendtrans-116.6159.1-174.9-54.5-172.354.700113.7F58 E59 A60Q56-F58 VanDerWaalsContact C-N 3.33Å; Q56-F58 HydrophobicContact CB-CD1 3.81Å; Q56-F58 HydrophobicContact CB-CE1 3.77Å; Q56-F58 HydrophobicContact CG-CE1 4.23Å; Q56-F58 PolarHBondContact O-N 2.93Å; Q56-E59 HydrophobicContact CB-CG 4.46Å; Q56-E59 VanDerWaalsContact CB-OE1 3.22Å; Q56-E59 WeakPolarHBondContact CB-OE1 3.47Å; Q56-E59 VanDerWaalsContact CG-OE1 3.3Å; Q56-E59 WeakPolarHBondContact CG-OE1 3.15Å; Q56-E59 PolarHBondContact N-OE1 3.3Å; Q56-E59 VanDerWaalsContact N-OE1 3.08Å; Q56-E59 PolarHBondContact N-OE2 2.89Å; Q56-E59 WeakPolarHBondContact O-CB 3.29Å; Q56-E59 PolarHBondContact O-N 2.76Å; Q56-A60 PolarHBondContact O-N 3.04Å
57N84.9Confident85.9Confident43 Ų4351.8 Ų51.823%0.2324%0.239CC..Hα-helixtrans-65.3-32.4-178.8-179.674.5000113.2E59 A60 E61 P79N57-E59 VanDerWaalsContact C-N 3.34Å; N57-A60 WeakPolarHBondContact O-CB 3.46Å; N57-A60 PolarHBondContact O-N 2.74Å; N57-E61 VanDerWaalsContact ND2-CD 3.32Å; N57-E61 PolarHBondContact ND2-OE1 3.08Å; N57-E61 WeakPolarHBondContact O-CG 3.28Å; N57-E61 PolarHBondContact O-N 3.35Å; N57-P79 HydrophobicContact CB-CG 4.16Å; N57-P79 WeakPolarHBondContact OD1-CD 3.46Å; N57-P79 WeakPolarHBondContact OD1-CG 3.13Å
58F82.8Confident87.2Confident127 Ų12750.3 Ų50.356%0.55724%0.236SC*.Hα-helixtrans-69.2-33.9178.879-98.1000112Q56 A60 R62Q56-F58 VanDerWaalsContact C-N 3.33Å; Q56-F58 HydrophobicContact CB-CD1 3.81Å; Q56-F58 HydrophobicContact CB-CE1 3.77Å; Q56-F58 HydrophobicContact CG-CE1 4.23Å; Q56-F58 PolarHBondContact O-N 2.93Å; F58-A60 VanDerWaalsContact C-N 3.34Å; F58-R62 WeakPolarHBondContact O-CB 3.34Å; F58-R62 PolarHBondContact O-N 3.14Å
59E87.3Confident87.9Confident30 Ų3053.4 Ų53.414%0.1425%0.25CC..Hα-helixtrans-62.4-45.2170.9-63.6157.7-134.800109.8C54 Q55 Q56 N57 E61 R62 L63 T122C54-E59 HydrophobicContact CB-CB 3.78Å; Q55-E59 PolarHBondContact N-OE2 2.97Å; Q56-E59 HydrophobicContact CB-CG 4.46Å; Q56-E59 VanDerWaalsContact CB-OE1 3.22Å; Q56-E59 WeakPolarHBondContact CB-OE1 3.47Å; Q56-E59 VanDerWaalsContact CG-OE1 3.3Å; Q56-E59 WeakPolarHBondContact CG-OE1 3.15Å; Q56-E59 PolarHBondContact N-OE1 3.3Å; Q56-E59 VanDerWaalsContact N-OE1 3.08Å; Q56-E59 PolarHBondContact N-OE2 2.89Å; Q56-E59 WeakPolarHBondContact O-CB 3.29Å; Q56-E59 PolarHBondContact O-N 2.76Å; N57-E59 VanDerWaalsContact C-N 3.34Å; E59-E61 PolarHBondContact O-N 2.85Å; E59-R62 PolarHBondContact O-N 3.48Å; E59-L63 WeakPolarHBondContact O-CB 3.14Å; E59-L63 PolarHBondContact O-N 3.17Å; E59-T122 WeakPolarHBondContact OE2-CB 3.06Å; E59-T122 WeakPolarHBondContact OE2-CG2 3.28Å; E59-T122 PolarHBondContact OE2-OG1 2.78Å
60A88Confident88.1Confident0 Ų053.8 Ų53.80%025%0.25CS..Hα-helixtrans-65.1-37.7179.500000113C54 Q56 N57 F58 K64 L76 I101C54-A60 HydrophobicContact CB-CB 4.09Å; Q56-A60 PolarHBondContact O-N 3.04Å; N57-A60 WeakPolarHBondContact O-CB 3.46Å; N57-A60 PolarHBondContact O-N 2.74Å; F58-A60 VanDerWaalsContact C-N 3.34Å; A60-K64 WeakPolarHBondContact O-CB 3.45Å; A60-K64 PolarHBondContact O-N 3.13Å; A60-L76 HydrophobicContact CB-CD1 3.51Å; A60-I101 HydrophobicContact CB-CG2 3.79Å
61E87.6Confident87.8Confident107 Ų10759 Ų5950%0.528%0.278SS..Hα-helixtrans-67.6-44.1171.8-75.8177.9-171.200112.3N57 E59 K64 F65 L76N57-E61 VanDerWaalsContact ND2-CD 3.32Å; N57-E61 PolarHBondContact ND2-OE1 3.08Å; N57-E61 WeakPolarHBondContact O-CG 3.28Å; N57-E61 PolarHBondContact O-N 3.35Å; E59-E61 PolarHBondContact O-N 2.85Å; E61-K64 PolarHBondContact O-N 3.37Å; E61-F65 PolarHBondContact O-N 2.87Å; E61-L76 HydrophobicContact CB-CD2 4.37Å; E61-L76 HydrophobicContact CG-CD2 3.45Å; E61-L76 VanDerWaalsContact CG-CD2 3.45Å
62R88.2Confident87.4Confident164 Ų16459.7 Ų59.762%0.61928%0.282SS*.Hα-helixtrans-63.6-47.8175.3-179179.3174.6-174.8-2111.5F58 E59 K64 F65 E66F58-R62 WeakPolarHBondContact O-CB 3.34Å; F58-R62 PolarHBondContact O-N 3.14Å; E59-R62 PolarHBondContact O-N 3.48Å; R62-K64 VanDerWaalsContact C-N 3.27Å; R62-K64 PolarHBondContact O-N 3.08Å; R62-F65 WeakPolarHBondContact O-CA 3.25Å; R62-F65 WeakPolarHBondContact O-CB 3.37Å; R62-F65 PolarHBondContact O-N 3.07Å; R62-E66 HydrophobicContact CG-CG 3.93Å; R62-E66 IonicContact CZ-OE1 3.74Å; R62-E66 IonicContact NE-OE1 3.6Å; R62-E66 PolarHBondContact NE-OE1 2.95Å; R62-E66 IonicContact NH2-OE1 2.74Å; R62-E66 PolarHBondContact NH2-OE1 3.35Å; R62-E66 VanDerWaalsContact O-CG 3.27Å; R62-E66 WeakPolarHBondContact O-CG 3.28Å; R62-E66 PolarHBondContact O-N 3.32Å
63L88.9Confident86.9Confident15 Ų1565 Ų658%0.07931%0.311CS..Hα-helixtrans-57.9-40.8-179.9-17865.2000111.5L33 L36 L52 E59 F65 E66 L67 I101 T121L33-L63 HydrophobicContact CD2-CD1 3.72Å; L36-L63 HydrophobicContact CD2-CD1 3.74Å; L52-L63 HydrophobicContact CB-CD2 4.42Å; E59-L63 WeakPolarHBondContact O-CB 3.14Å; E59-L63 PolarHBondContact O-N 3.17Å; L63-F65 VanDerWaalsContact C-N 3.32Å; L63-F65 PolarHBondContact O-N 3.41Å; L63-E66 PolarHBondContact O-N 3.48Å; L63-L67 HydrophobicContact CD1-CD1 4.07Å; L63-L67 HydrophobicContact CD1-CG 4.23Å; L63-L67 HydrophobicContact CG-CD1 3.99Å; L63-L67 WeakPolarHBondContact O-CB 3.44Å; L63-L67 WeakPolarHBondContact O-CG 3.42Å; L63-L67 PolarHBondContact O-N 2.87Å; L63-I101 HydrophobicContact CD2-CD1 4.38Å; L63-I101 HydrophobicContact CD2-CG1 4.45Å; L63-I101 HydrophobicContact CD2-CG2 4.14Å; L63-I101 HydrophobicContact CG-CD1 4.29Å; L63-T121 HydrophobicContact CD2-CG2 3.93Å
64K91.8Very high86.8Confident85 Ų8565.5 Ų65.537%0.3731%0.314SS..Hα-helixtrans-61.1-39.6174178.1168.5177.9-175.70112.5A60 E61 R62 A68 T74 L76 I101A60-K64 WeakPolarHBondContact O-CB 3.45Å; A60-K64 PolarHBondContact O-N 3.13Å; E61-K64 PolarHBondContact O-N 3.37Å; R62-K64 VanDerWaalsContact C-N 3.27Å; R62-K64 PolarHBondContact O-N 3.08Å; K64-A68 VanDerWaalsContact O-CB 3.29Å; K64-A68 WeakPolarHBondContact O-CB 3.41Å; K64-A68 PolarHBondContact O-N 2.94Å; K64-A68 VanDerWaalsContact O-N 3.11Å; K64-T74 WeakPolarHBondContact CE-O 3.07Å; K64-L76 HydrophobicContact CD-CB 3.59Å; K64-I101 HydrophobicContact CB-CD1 3.78Å; K64-I101 HydrophobicContact CG-CD1 4.49Å
65F87.6Confident86.7Confident126 Ų12667 Ų6755%0.55332%0.321SS*.Hα-helixtrans-68.7-51.1177.4-175.7-90.1000111.2E61 R62 L63 L67 A68 E69E61-F65 PolarHBondContact O-N 2.87Å; R62-F65 WeakPolarHBondContact O-CA 3.25Å; R62-F65 WeakPolarHBondContact O-CB 3.37Å; R62-F65 PolarHBondContact O-N 3.07Å; L63-F65 VanDerWaalsContact C-N 3.32Å; L63-F65 PolarHBondContact O-N 3.41Å; F65-L67 VanDerWaalsContact C-N 3.28Å; F65-L67 PolarHBondContact O-N 3.48Å; F65-A68 WeakPolarHBondContact O-CB 3.49Å; F65-A68 PolarHBondContact O-N 3.03Å; F65-E69 HydrophobicContact CD1-CG 4.33Å; F65-E69 HydrophobicContact CE1-CG 3.9Å; F65-E69 VanDerWaalsContact CE1-OE1 3.32Å; F65-E69 WeakPolarHBondContact CE1-OE1 3.29Å; F65-E69 WeakPolarHBondContact CE1-OE2 3.41Å; F65-E69 HydrophobicContact CZ-CG 4.17Å; F65-E69 WeakPolarHBondContact CZ-OE1 3.45Å; F65-E69 PolarHBondContact O-N 3.46Å
66E89.4Confident86.7Confident30 Ų3065.4 Ų65.414%0.1431%0.314CS..Hα-helixtrans-58.9-34.9179.4-65.6-90.8-164.500112.9L33 R62 L63 R70L33-E66 HydrophobicContact CD1-CB 4Å; L33-E66 HydrophobicContact CD1-CG 4.02Å; L33-E66 WeakPolarHBondContact CD1-OE2 3.23Å; L33-E66 HydrophobicContact CD2-CB 3.89Å; L33-E66 HydrophobicContact CD2-CG 4.46Å; R62-E66 HydrophobicContact CG-CG 3.93Å; R62-E66 IonicContact CZ-OE1 3.74Å; R62-E66 IonicContact NE-OE1 3.6Å; R62-E66 PolarHBondContact NE-OE1 2.95Å; R62-E66 IonicContact NH2-OE1 2.74Å; R62-E66 PolarHBondContact NH2-OE1 3.35Å; R62-E66 VanDerWaalsContact O-CG 3.27Å; R62-E66 WeakPolarHBondContact O-CG 3.28Å; R62-E66 PolarHBondContact O-N 3.32Å; L63-E66 PolarHBondContact O-N 3.48Å; E66-R70 WeakPolarHBondContact O-CD 3.38Å; E66-R70 WeakPolarHBondContact O-CG 3.14Å; E66-R70 PolarHBondContact O-NH1 2.93Å; E66-R70 IonicContact OE2-CZ 3.57Å; E66-R70 IonicContact OE2-NH1 3.5Å; E66-R70 PolarHBondContact OE2-NH1 3.29Å
67L87Confident86.5Confident0 Ų060.7 Ų60.70%029%0.292CS..Hα-helixtrans-77.6-31.8174-73.7175.6000112.8L36 A37 L40 L52 L63 F65 R70 D71 V72 T74 I101L36-L67 HydrophobicContact CB-CD2 4.49Å; L36-L67 HydrophobicContact CD2-CD1 4.18Å; L36-L67 HydrophobicContact CD2-CD2 4.19Å; L36-L67 HydrophobicContact CG-CD2 4.12Å; A37-L67 HydrophobicContact CB-CD2 4.13Å; L40-L67 HydrophobicContact CD1-CD1 3.96Å; L40-L67 HydrophobicContact CD1-CD2 4.24Å; L52-L67 HydrophobicContact CD1-CD1 4.28Å; L63-L67 HydrophobicContact CD1-CD1 4.07Å; L63-L67 HydrophobicContact CD1-CG 4.23Å; L63-L67 HydrophobicContact CG-CD1 3.99Å; L63-L67 WeakPolarHBondContact O-CB 3.44Å; L63-L67 WeakPolarHBondContact O-CG 3.42Å; L63-L67 PolarHBondContact O-N 2.87Å; F65-L67 VanDerWaalsContact C-N 3.28Å; F65-L67 PolarHBondContact O-N 3.48Å; L67-R70 CarbonylContact O-C 3.56Å; L67-R70 VanDerWaalsContact O-C 3.29Å; L67-R70 WeakPolarHBondContact O-CA 3.39Å; L67-R70 PolarHBondContact O-N 2.91Å; L67-R70 VanDerWaalsContact O-N 3.12Å; L67-D71 PolarHBondContact O-N 2.62Å; L67-V72 CarbonylContact C-O 3.59Å; L67-V72 HydrophobicContact CB-CB 4.26Å; L67-V72 HydrophobicContact CD2-CB 4.48Å; L67-V72 PolarHBondContact O-N 3.47Å; L67-T74 HydrophobicContact CB-CG2 4.4Å; L67-T74 HydrophobicContact CD1-CG2 3.9Å; L67-I101 HydrophobicContact CD1-CD1 4.36Å
68A85Confident85.9Confident59 Ų5961.6 Ų61.649%0.48830%0.301SS..Hα-helixtrans-70.9-34.9175.800000112.6K64 F65 R70 D71K64-A68 VanDerWaalsContact O-CB 3.29Å; K64-A68 WeakPolarHBondContact O-CB 3.41Å; K64-A68 PolarHBondContact O-N 2.94Å; K64-A68 VanDerWaalsContact O-N 3.11Å; F65-A68 WeakPolarHBondContact O-CB 3.49Å; F65-A68 PolarHBondContact O-N 3.03Å; A68-R70 PolarHBondContact O-N 3.16Å; A68-D71 PolarHBondContact O-N 3.34Å
69E85.5Confident85.1Confident131 Ų13157.6 Ų57.661%0.61229%0.287SS*.THydrogen-bonded Turntrans-66.7-15.6169.1-66.5-165.2138.500112.7F65F65-E69 HydrophobicContact CD1-CG 4.33Å; F65-E69 HydrophobicContact CE1-CG 3.9Å; F65-E69 VanDerWaalsContact CE1-OE1 3.32Å; F65-E69 WeakPolarHBondContact CE1-OE1 3.29Å; F65-E69 WeakPolarHBondContact CE1-OE2 3.41Å; F65-E69 HydrophobicContact CZ-CG 4.17Å; F65-E69 WeakPolarHBondContact CZ-OE1 3.45Å; F65-E69 PolarHBondContact O-N 3.46Å
70R86.2Confident84Confident44 Ų4464.2 Ų64.217%0.16632%0.318CS..THydrogen-bonded Turntrans-103.624.6174.6-64.6169.4173.986-2.8112.3D34 A37 R41 E66 L67 A68 V72D34-R70 IonicContact OD1-CZ 3.87Å; D34-R70 IonicContact OD1-NE 2.73Å; D34-R70 PolarHBondContact OD1-NE 2.87Å; D34-R70 IonicContact OD1-NH2 3.71Å; D34-R70 PolarHBondContact OD1-NH2 2.81Å; A37-R70 HydrophobicContact CB-CB 3.85Å; R41-R70 PolarHBondContact NE-O 3.29Å; R41-R70 PolarHBondContact NH2-O 3.45Å; E66-R70 WeakPolarHBondContact O-CD 3.38Å; E66-R70 WeakPolarHBondContact O-CG 3.14Å; E66-R70 PolarHBondContact O-NH1 2.93Å; E66-R70 IonicContact OE2-CZ 3.57Å; E66-R70 IonicContact OE2-NH1 3.5Å; E66-R70 PolarHBondContact OE2-NH1 3.29Å; L67-R70 CarbonylContact O-C 3.56Å; L67-R70 VanDerWaalsContact O-C 3.29Å; L67-R70 WeakPolarHBondContact O-CA 3.39Å; L67-R70 PolarHBondContact O-N 2.91Å; L67-R70 VanDerWaalsContact O-N 3.12Å; A68-R70 PolarHBondContact O-N 3.16Å; R70-V72 PolarHBondContact O-N 3.19Å
71D82.2Confident82.9Confident119 Ų11965.4 Ų65.464%0.63633%0.33SS*.THydrogen-bonded Turntrans58.912.3178.9-68.1-51.4000115.9L67 A68L67-D71 PolarHBondContact O-N 2.62Å; A68-D71 PolarHBondContact O-N 3.34Å
72V82.9Confident81.4Confident13 Ų1364.1 Ų64.18%0.07934%0.338CS..  trans-95.1105.8179.4-176.70000110.5A37 L40 R41 L67 R70 T74A37-V72 HydrophobicContact CB-CG2 3.87Å; L40-V72 HydrophobicContact CB-CG1 3.78Å; L40-V72 HydrophobicContact CD1-CG1 3.84Å; L40-V72 HydrophobicContact CG-CG1 4.45Å; R41-V72 HydrophobicContact CG-CG2 3.95Å; L67-V72 CarbonylContact C-O 3.59Å; L67-V72 HydrophobicContact CB-CB 4.26Å; L67-V72 HydrophobicContact CD2-CB 4.48Å; L67-V72 PolarHBondContact O-N 3.47Å; R70-V72 PolarHBondContact O-N 3.19Å; V72-T74 HydrophobicContact CG1-CG2 3.97Å; V72-T74 PolarHBondContact O-N 2.96Å
73N81.8Confident80.5Confident113 Ų11361.6 Ų61.660%0.60433%0.334SS*.  trans-74.5114178.9-75.3-86.1000111.3Q98N73-Q98 HydrophobicContact CB-CG 4.33Å; N73-Q98 WeakPolarHBondContact O-CB 3.37Å; N73-Q98 WeakPolarHBondContact O-CG 3.26Å
74T89.3Confident80.1Confident10 Ų1061.5 Ų61.56%0.06133%0.334CS..EExtended strand (participates in β ladder)trans-126.3153.8-177.356.90000112.8L52 K64 L67 V72 A99 I101L52-T74 HydrophobicContact CD1-CG2 4.19Å; K64-T74 WeakPolarHBondContact CE-O 3.07Å; L67-T74 HydrophobicContact CB-CG2 4.4Å; L67-T74 HydrophobicContact CD1-CG2 3.9Å; V72-T74 HydrophobicContact CG1-CG2 3.97Å; V72-T74 PolarHBondContact O-N 2.96Å; T74-A99 WeakPolarHBondContact CA-O 3.5Å; T74-A99 HydrophobicContact CG2-CB 4.33Å; T74-I101 HydrophobicContact CG2-CD1 4.11Å; T74-I101 VanDerWaalsContact OG1-CD1 3.31Å; T74-I101 WeakPolarHBondContact OG1-CD1 3.48Å
75I89.1Confident79.4Confident33 Ų3360.1 Ų60.117%0.16934%0.344CS..EExtended strand (participates in β ladder)trans-112.3105.7176.6-65.7177.3000109.4V87 I96 Q98 A99 L100 I101I75-V87 HydrophobicContact CG2-CG1 3.92Å; I75-I96 HydrophobicContact CD1-CG2 3.29Å; I75-Q98 HydrophobicContact CD1-CB 4.13Å; I75-Q98 HydrophobicContact CG1-CB 4.08Å; I75-Q98 VanDerWaalsContact CG1-OE1 3.28Å; I75-A99 PolarHBondContact N-O 3Å; I75-L100 HydrophobicContact CB-CD1 4.38Å; I75-L100 HydrophobicContact CG2-CD1 4.14Å; I75-L100 CarbonylContact O-C 3.47Å; I75-L100 WeakPolarHBondContact O-CA 3.48Å; I75-I101 PolarHBondContact O-N 3.49Å
76L88.9Confident79.1Confident24 Ų2459.4 Ų59.413%0.12634%0.342CS..EExtended strand (participates in β ladder)trans-66.8130.4161.5175.864.6000110.1A60 E61 K64 P78 I101A60-L76 HydrophobicContact CB-CD1 3.51Å; E61-L76 HydrophobicContact CB-CD2 4.37Å; E61-L76 HydrophobicContact CG-CD2 3.45Å; E61-L76 VanDerWaalsContact CG-CD2 3.45Å; K64-L76 HydrophobicContact CD-CB 3.59Å; L76-P78 VanDerWaalsContact O-CD 3.31Å; L76-P78 WeakPolarHBondContact O-CD 3.47Å; L76-I101 CarbonylContact C-O 3.52Å; L76-I101 WeakPolarHBondContact CA-O 3.47Å; L76-I101 HydrophobicContact CD1-CB 4.29Å; L76-I101 HydrophobicContact CD1-CG2 4.06Å
77L82.4Confident78.7Confident2 Ų259.6 Ų59.61%0.0135%0.346CS..  trans-90101.7169.4-152.580.8000108.7V84 V87 L88 L100 I101 L102 M106L77-V84 HydrophobicContact CD2-CG1 4.07Å; L77-V84 HydrophobicContact CG-CG1 4.28Å; L77-V84 HydrophobicContact CG-CG2 4.28Å; L77-V87 HydrophobicContact CD1-CB 4.24Å; L77-V87 HydrophobicContact CD1-CG1 3.87Å; L77-L88 HydrophobicContact CD1-CD2 4.08Å; L77-L88 HydrophobicContact CD1-CG 3.99Å; L77-L88 HydrophobicContact CD2-CD1 4.09Å; L77-L88 HydrophobicContact CD2-CD2 3.9Å; L77-L88 HydrophobicContact CD2-CG 4.05Å; L77-L100 HydrophobicContact CD1-CD1 4.16Å; L77-I101 PolarHBondContact N-O 3.43Å; L77-L102 HydrophobicContact CB-CB 4.26Å; L77-M106 HydrophobicContact CD2-CB 4.49Å; L77-M106 HydrophobicContact CD2-CE 3.86Å; L77-M106 HydrophobicContact CG-CE 4.31Å
78P71.9Confident78.6Confident62 Ų6260.2 Ų60.240%0.40335%0.349SS..  trans-76.3136.8-172.630.4-34.8000111.4L76 H80 G81 V84L76-P78 VanDerWaalsContact O-CD 3.31Å; L76-P78 WeakPolarHBondContact O-CD 3.47Å; P78-H80 PolarHBondContact O-N 2.91Å; P78-G81 PolarHBondContact O-N 3.21Å; P78-G81 VanDerWaalsContact O-N 3.11Å; P78-V84 WeakPolarHBondContact O-CG2 3.45Å
79P66.4Low78.4Confident43 Ų4362 Ų6228%0.27935%0.349SS..THydrogen-bonded Turntrans-59.5132.6176.124-32.7000111.3N57 G81 M106N57-P79 HydrophobicContact CB-CG 4.16Å; N57-P79 WeakPolarHBondContact OD1-CD 3.46Å; N57-P79 WeakPolarHBondContact OD1-CG 3.13Å; P79-G81 PolarHBondContact O-N 3.07Å; P79-M106 VanDerWaalsContact CA-SD 3.58Å; P79-M106 HydrophobicContact CB-SD 4Å
80H64.9Low78.3Confident169 Ų16959.3 Ų59.378%0.78234%0.339SS*.THydrogen-bonded Turntrans60.919.5-176.4-34.8-66.1000115.5P78 A82P78-H80 PolarHBondContact O-N 2.91Å; H80-A82 PolarHBondContact O-N 2.96Å
81G64.1Low78.3Confident25 Ų2557.3 Ų57.326%0.25833%0.331SS..  trans-67.4124.817500000113P78 P79 M83 V84P78-G81 PolarHBondContact O-N 3.21Å; P78-G81 VanDerWaalsContact O-N 3.11Å; P79-G81 PolarHBondContact O-N 3.07Å; G81-M83 PolarHBondContact O-N 3.19Å; G81-V84 WeakPolarHBondContact O-CB 3.37Å; G81-V84 WeakPolarHBondContact O-CG2 3.49Å; G81-V84 PolarHBondContact O-N 3.25Å
82A56.2Low78.2Confident80 Ų8053.2 Ų53.266%0.66131%0.312SS*.THydrogen-bonded Turntrans-59.7-12.6179.500000115.3H80 M715H80-A82 PolarHBondContact O-N 2.96Å; A82-M715 HydrophobicContact CB-SD 3.79Å
83M69.1Low78.1Confident111 Ų11159 Ų5955%0.54734%0.336SS..THydrogen-bonded Turntrans-99.6-3.7176.3-60.3-65.1-69.600113.6G81 G85 Q86 V87G81-M83 PolarHBondContact O-N 3.19Å; M83-G85 PolarHBondContact O-N 3.04Å; M83-Q86 HydrophobicContact CE-CB 4.43Å; M83-Q86 WeakPolarHBondContact O-CA 3.48Å; M83-Q86 WeakPolarHBondContact O-CB 3.25Å; M83-Q86 PolarHBondContact O-N 3.22Å; M83-V87 HydrophobicContact CB-CG2 4.28Å; M83-V87 WeakPolarHBondContact O-CG2 3.46Å; M83-V87 PolarHBondContact O-N 3.41Å
84V79.7Confident77.7Confident13 Ų1355.1 Ų55.18%0.07932%0.324CS..Hα-helixtrans-50.3-53.4-172.7162.20000112.1L77 P78 G81 Q86 V87 L88 M106 H109L77-V84 HydrophobicContact CD2-CG1 4.07Å; L77-V84 HydrophobicContact CG-CG1 4.28Å; L77-V84 HydrophobicContact CG-CG2 4.28Å; P78-V84 WeakPolarHBondContact O-CG2 3.45Å; G81-V84 WeakPolarHBondContact O-CB 3.37Å; G81-V84 WeakPolarHBondContact O-CG2 3.49Å; G81-V84 PolarHBondContact O-N 3.25Å; V84-Q86 VanDerWaalsContact C-N 3.27Å; V84-Q86 PolarHBondContact O-N 3.09Å; V84-V87 PolarHBondContact O-N 2.84Å; V84-L88 HydrophobicContact CG1-CD1 3.89Å; V84-L88 WeakPolarHBondContact O-CB 3.39Å; V84-L88 WeakPolarHBondContact O-CG 3.35Å; V84-L88 PolarHBondContact O-N 2.88Å; V84-M106 HydrophobicContact CG1-CE 3.79Å; V84-M106 HydrophobicContact CG2-CE 3.93Å; V84-H109 HydrophobicContact CG1-CB 4.48Å
85G78.1Confident77.2Confident55 Ų5562.8 Ų62.857%0.56735%0.353SS*.Hα-helixtrans-64.1-27.1178.800000114.2M83 L89M83-G85 PolarHBondContact O-N 3.04Å; G85-L89 WeakPolarHBondContact O-CB 3.46Å; G85-L89 PolarHBondContact O-N 2.87Å; G85-L89 VanDerWaalsContact O-N 3.11Å
86Q80.1Confident76.8Confident111 Ų11162.9 Ų62.952%0.51935%0.353SS..Hα-helixtrans-78.9-39.6174.9-64.2-171.35.200111.9M83 V84 L89 L90M83-Q86 HydrophobicContact CE-CB 4.43Å; M83-Q86 WeakPolarHBondContact O-CA 3.48Å; M83-Q86 WeakPolarHBondContact O-CB 3.25Å; M83-Q86 PolarHBondContact O-N 3.22Å; V84-Q86 VanDerWaalsContact C-N 3.27Å; V84-Q86 PolarHBondContact O-N 3.09Å; Q86-L89 PolarHBondContact O-N 3.17Å; Q86-L90 WeakPolarHBondContact O-CB 3.33Å; Q86-L90 VanDerWaalsContact O-CG 3.25Å; Q86-L90 WeakPolarHBondContact O-CG 3.3Å; Q86-L90 PolarHBondContact O-N 3.42Å
87V82.8Confident76.3Confident35 Ų3564.4 Ų64.421%0.21236%0.361CS..Hα-helixtrans-64.1-47.2175.4173.60000110.1I75 L77 M83 V84 L89 L90 W91I75-V87 HydrophobicContact CG2-CG1 3.92Å; L77-V87 HydrophobicContact CD1-CB 4.24Å; L77-V87 HydrophobicContact CD1-CG1 3.87Å; M83-V87 HydrophobicContact CB-CG2 4.28Å; M83-V87 WeakPolarHBondContact O-CG2 3.46Å; M83-V87 PolarHBondContact O-N 3.41Å; V84-V87 PolarHBondContact O-N 2.84Å; V87-L89 PolarHBondContact O-N 3.27Å; V87-L90 PolarHBondContact O-N 3.39Å; V87-W91 VanDerWaalsContact O-CB 3.26Å; V87-W91 WeakPolarHBondContact O-CB 3.27Å; V87-W91 PolarHBondContact O-N 3.02Å
88L84.6Confident76.4Confident13 Ų1368.2 Ų68.27%0.06838%0.379CS..Hα-helixtrans-59.8-42.8174.5-73.3173000112.4L77 V84 L90 W91 S92 L100 H109 L110L77-L88 HydrophobicContact CD1-CD2 4.08Å; L77-L88 HydrophobicContact CD1-CG 3.99Å; L77-L88 HydrophobicContact CD2-CD1 4.09Å; L77-L88 HydrophobicContact CD2-CD2 3.9Å; L77-L88 HydrophobicContact CD2-CG 4.05Å; V84-L88 HydrophobicContact CG1-CD1 3.89Å; V84-L88 WeakPolarHBondContact O-CB 3.39Å; V84-L88 WeakPolarHBondContact O-CG 3.35Å; V84-L88 PolarHBondContact O-N 2.88Å; L88-L90 PolarHBondContact O-N 3.41Å; L88-W91 PolarHBondContact O-N 3.17Å; L88-S92 VanDerWaalsContact O-CB 3.29Å; L88-S92 WeakPolarHBondContact O-CB 3.44Å; L88-S92 PolarHBondContact O-N 3.11Å; L88-S92 PolarHBondContact O-OG 2.83Å; L88-L100 HydrophobicContact CD2-CD2 3.88Å; L88-H109 WeakPolarHBondContact CD1-O 3.47Å; L88-L110 HydrophobicContact CD2-CD2 4.12Å
89L81.3Confident77.2Confident95 Ų9565.8 Ų65.850%0.49736%0.364SS..Hα-helixtrans-67.3-33.3178-178.863.2000113.3G85 Q86 V87 S92 K93G85-L89 WeakPolarHBondContact O-CB 3.46Å; G85-L89 PolarHBondContact O-N 2.87Å; G85-L89 VanDerWaalsContact O-N 3.11Å; Q86-L89 PolarHBondContact O-N 3.17Å; V87-L89 PolarHBondContact O-N 3.27Å; L89-S92 PolarHBondContact O-OG 2.79Å; L89-K93 HydrophobicContact CD1-CD 4.25Å; L89-K93 WeakPolarHBondContact O-CB 3.34Å; L89-K93 WeakPolarHBondContact O-CG 3.16Å; L89-K93 PolarHBondContact O-N 2.91Å
90L81.9Confident78.4Confident76 Ų7663.7 Ų63.740%0.39835%0.351SS..Hα-helixtrans-76.3-38176.1-71.8170000111.6Q86 V87 L88 G94 Y95 I96Q86-L90 WeakPolarHBondContact O-CB 3.33Å; Q86-L90 VanDerWaalsContact O-CG 3.25Å; Q86-L90 WeakPolarHBondContact O-CG 3.3Å; Q86-L90 PolarHBondContact O-N 3.42Å; V87-L90 PolarHBondContact O-N 3.39Å; L88-L90 PolarHBondContact O-N 3.41Å; L90-G94 PolarHBondContact O-N 3.26Å; L90-Y95 HydrophobicContact CD2-CD2 3.76Å; L90-Y95 HydrophobicContact CD2-CG 4.18Å; L90-Y95 WeakPolarHBondContact O-CB 3.36Å; L90-Y95 PolarHBondContact O-N 3.06Å; L90-I96 HydrophobicContact CB-CD1 3.54Å; L90-I96 HydrophobicContact CB-CG1 3.95Å; L90-I96 HydrophobicContact CD1-CD1 4.29Å
91W87.1Confident79.7Confident1 Ų155.7 Ų55.70%0.00431%0.313CS..Hα-helixtrans-69.6-47.9176.9-171.588.3000112.4K49 I51 V87 L88 K93 G94 I96 Q98 L100 V113 A115K49-W91 HydrophobicContact CB-CH2 3.73Å; K49-W91 HydrophobicContact CB-CZ2 3.79Å; K49-W91 HydrophobicContact CB-CZ3 4.43Å; K49-W91 HydrophobicContact CG-CH2 4.44Å; K49-W91 HydrophobicContact CG-CZ2 4.39Å; I51-W91 HydrophobicContact CD1-CH2 4.01Å; I51-W91 HydrophobicContact CD1-CZ3 4.35Å; I51-W91 HydrophobicContact CG1-CH2 3.55Å; I51-W91 HydrophobicContact CG1-CZ2 4.12Å; I51-W91 HydrophobicContact CG1-CZ3 4.33Å; V87-W91 VanDerWaalsContact O-CB 3.26Å; V87-W91 WeakPolarHBondContact O-CB 3.27Å; V87-W91 PolarHBondContact O-N 3.02Å; L88-W91 PolarHBondContact O-N 3.17Å; W91-K93 PolarHBondContact O-N 3.21Å; W91-G94 PolarHBondContact O-N 3.03Å; W91-I96 HydrophobicContact CB-CB 4.32Å; W91-I96 VanDerWaalsContact CD1-O 3.29Å; W91-Q98 PolarHBondContact NE1-O 3.3Å; W91-L100 HydrophobicContact CD2-CB 4.38Å; W91-L100 HydrophobicContact CD2-CD2 4.05Å; W91-L100 HydrophobicContact CE3-CD2 4.12Å; W91-L100 HydrophobicContact CG-CD1 4.36Å; W91-L100 HydrophobicContact CZ2-CB 3.85Å; W91-L100 HydrophobicContact CZ2-CD2 4.46Å; W91-L100 HydrophobicContact CZ3-CD2 4.36Å; W91-V113 HydrophobicContact CZ3-CB 4.23Å; W91-V113 HydrophobicContact CZ3-CG2 4.19Å; W91-A115 HydrophobicContact CH2-CB 4.31Å
92S80.8Confident81Confident33 Ų3354.5 Ų54.523%0.23130%0.301CS..Hα-helixtrans-61.5-31.2177.467.50000112.6K49 L88 L89K49-S92 WeakPolarHBondContact CE-O 3.36Å; K49-S92 PolarHBondContact NZ-O 2.98Å; L88-S92 VanDerWaalsContact O-CB 3.29Å; L88-S92 WeakPolarHBondContact O-CB 3.44Å; L88-S92 PolarHBondContact O-N 3.11Å; L88-S92 PolarHBondContact O-OG 2.83Å; L89-S92 PolarHBondContact O-OG 2.79Å
93K80.4Confident82.6Confident134 Ų13451.1 Ų51.158%0.58327%0.273SS*.THydrogen-bonded Turntrans-84.11173.6-70.5-171.7173.9-169.20115.5L89 W91 Y95L89-K93 HydrophobicContact CD1-CD 4.25Å; L89-K93 WeakPolarHBondContact O-CB 3.34Å; L89-K93 WeakPolarHBondContact O-CG 3.16Å; L89-K93 PolarHBondContact O-N 2.91Å; W91-K93 PolarHBondContact O-N 3.21Å; K93-Y95 VanDerWaalsContact C-N 3.33Å; K93-Y95 HydrophobicContact CB-CD2 3.68Å; K93-Y95 HydrophobicContact CB-CE2 3.65Å; K93-Y95 HydrophobicContact CD-CE2 4.02Å; K93-Y95 HydrophobicContact CG-CE2 4.49Å; K93-Y95 PolarHBondContact O-N 3.41Å
94G73.8Confident83.4Confident33 Ų3347.4 Ų47.434%0.3426%0.255SS..THydrogen-bonded Turntrans71.12317800000114.8L90 W91 N97L90-G94 PolarHBondContact O-N 3.26Å; W91-G94 PolarHBondContact O-N 3.03Å; G94-N97 PolarHBondContact O-OD1 2.94Å
95Y78.1Confident83.5Confident171 Ų17149.4 Ų49.467%0.67128%0.278SS*.SBendtrans-82.3-7.1165.8-61.4-66.9000112.4L90 K93L90-Y95 HydrophobicContact CD2-CD2 3.76Å; L90-Y95 HydrophobicContact CD2-CG 4.18Å; L90-Y95 WeakPolarHBondContact O-CB 3.36Å; L90-Y95 PolarHBondContact O-N 3.06Å; K93-Y95 VanDerWaalsContact C-N 3.33Å; K93-Y95 HydrophobicContact CB-CD2 3.68Å; K93-Y95 HydrophobicContact CB-CE2 3.65Å; K93-Y95 HydrophobicContact CD-CE2 4.02Å; K93-Y95 HydrophobicContact CG-CE2 4.49Å; K93-Y95 PolarHBondContact O-N 3.41Å
96I81.4Confident83.9Confident34 Ų3446.9 Ų46.917%0.17425%0.252CS..  trans-141.2113-178.2-60.2178.7000107.2I75 L90 W91 Q98I75-I96 HydrophobicContact CD1-CG2 3.29Å; L90-I96 HydrophobicContact CB-CD1 3.54Å; L90-I96 HydrophobicContact CB-CG1 3.95Å; L90-I96 HydrophobicContact CD1-CD1 4.29Å; W91-I96 HydrophobicContact CB-CB 4.32Å; W91-I96 VanDerWaalsContact CD1-O 3.29Å; I96-Q98 HydrophobicContact CG2-CB 4.5Å
97N76.8Confident84Confident57 Ų5741.9 Ų41.931%0.30523%0.229SC..  trans-1042.6-174.6-54.4-17.7000113A45 N46 G94A45-N97 WeakPolarHBondContact O-CB 3.49Å; N46-N97 PolarHBondContact OD1-ND2 2.93Å; G94-N97 PolarHBondContact O-OD1 2.94Å
98Q86.1Confident83.9Confident81 Ų8146.2 Ų46.238%0.37925%0.246SC..SBendtrans-72.5144.3177.1-68.8179.3-1.400110.8N73 I75 W91 I96N73-Q98 HydrophobicContact CB-CG 4.33Å; N73-Q98 WeakPolarHBondContact O-CB 3.37Å; N73-Q98 WeakPolarHBondContact O-CG 3.26Å; I75-Q98 HydrophobicContact CD1-CB 4.13Å; I75-Q98 HydrophobicContact CG1-CB 4.08Å; I75-Q98 VanDerWaalsContact CG1-OE1 3.28Å; W91-Q98 PolarHBondContact NE1-O 3.3Å; I96-Q98 HydrophobicContact CG2-CB 4.5Å
99A88.2Confident83.5Confident11 Ų1149.4 Ų49.49%0.09126%0.261CS..EExtended strand (participates in β ladder)trans-64.6139.8179.100000111.5L40 T50 L52 T74 I75L40-A99 HydrophobicContact CD2-CB 3.83Å; T50-A99 HydrophobicContact CG2-CB 4.39Å; T50-A99 WeakPolarHBondContact O-CA 3.41Å; L52-A99 HydrophobicContact CD1-CB 3.66Å; T74-A99 WeakPolarHBondContact CA-O 3.5Å; T74-A99 HydrophobicContact CG2-CB 4.33Å; I75-A99 PolarHBondContact N-O 3Å
100L90.6Very high83.3Confident0 Ų045.2 Ų45.20%024%0.239CC..EExtended strand (participates in β ladder)trans-100.4109.1-168.2-166.773.5000110.9T50 I51 L52 I75 L77 L88 W91 L102 L110T50-L100 PolarHBondContact O-N 3.12Å; I51-L100 CarbonylContact C-O 3.42Å; I51-L100 WeakPolarHBondContact CA-O 3.4Å; L52-L100 PolarHBondContact N-O 3.39Å; I75-L100 HydrophobicContact CB-CD1 4.38Å; I75-L100 HydrophobicContact CG2-CD1 4.14Å; I75-L100 CarbonylContact O-C 3.47Å; I75-L100 WeakPolarHBondContact O-CA 3.48Å; L77-L100 HydrophobicContact CD1-CD1 4.16Å; L88-L100 HydrophobicContact CD2-CD2 3.88Å; W91-L100 HydrophobicContact CD2-CB 4.38Å; W91-L100 HydrophobicContact CD2-CD2 4.05Å; W91-L100 HydrophobicContact CE3-CD2 4.12Å; W91-L100 HydrophobicContact CG-CD1 4.36Å; W91-L100 HydrophobicContact CZ2-CB 3.85Å; W91-L100 HydrophobicContact CZ2-CD2 4.46Å; W91-L100 HydrophobicContact CZ3-CD2 4.36Å; L100-L102 HydrophobicContact CD2-CD2 4.27Å; L100-L110 HydrophobicContact CD2-CD2 4.45Å
101I91.9Very high82.9Confident0 Ų043.5 Ų43.50%024%0.24CC..EExtended strand (participates in β ladder)trans-89.6132.2176.4-54.9168.3000109.6L52 A60 L63 K64 L67 T74 I75 L76 L77L52-I101 HydrophobicContact CB-CB 4.29Å; L52-I101 HydrophobicContact CB-CG1 3.8Å; L52-I101 HydrophobicContact CB-CG2 4.48Å; L52-I101 HydrophobicContact CD1-CD1 4.34Å; L52-I101 HydrophobicContact CD1-CG1 3.56Å; L52-I101 HydrophobicContact CG-CG1 4.3Å; L52-I101 WeakPolarHBondContact O-CA 3.39Å; A60-I101 HydrophobicContact CB-CG2 3.79Å; L63-I101 HydrophobicContact CD2-CD1 4.38Å; L63-I101 HydrophobicContact CD2-CG1 4.45Å; L63-I101 HydrophobicContact CD2-CG2 4.14Å; L63-I101 HydrophobicContact CG-CD1 4.29Å; K64-I101 HydrophobicContact CB-CD1 3.78Å; K64-I101 HydrophobicContact CG-CD1 4.49Å; L67-I101 HydrophobicContact CD1-CD1 4.36Å; T74-I101 HydrophobicContact CG2-CD1 4.11Å; T74-I101 VanDerWaalsContact OG1-CD1 3.31Å; T74-I101 WeakPolarHBondContact OG1-CD1 3.48Å; I75-I101 PolarHBondContact O-N 3.49Å; L76-I101 CarbonylContact C-O 3.52Å; L76-I101 WeakPolarHBondContact CA-O 3.47Å; L76-I101 HydrophobicContact CD1-CB 4.29Å; L76-I101 HydrophobicContact CD1-CG2 4.06Å; L77-I101 PolarHBondContact N-O 3.43Å
102L91.2Very high82.1Confident0 Ų049.1 Ų49.10%027%0.274CS..EExtended strand (participates in β ladder)trans-149160.7175.661.491.6000111.7I51 L52 I53 C54 L77 L100 M106 L107 L110I51-L102 HydrophobicContact CG2-CD2 3.73Å; I51-L102 HydrophobicContact CG2-CG 4.17Å; L52-L102 PolarHBondContact O-N 2.86Å; I53-L102 WeakPolarHBondContact CA-O 3.19Å; I53-L102 HydrophobicContact CG1-CD1 4.16Å; I53-L102 HydrophobicContact CG2-CD1 4.24Å; C54-L102 PolarHBondContact N-O 2.91Å; L77-L102 HydrophobicContact CB-CB 4.26Å; L100-L102 HydrophobicContact CD2-CD2 4.27Å; L102-M106 HydrophobicContact CB-CB 4.15Å; L102-L107 HydrophobicContact CD1-CD2 3.78Å; L102-L107 HydrophobicContact CD1-CG 4.39Å; L102-L110 HydrophobicContact CD1-CD1 4.47Å; L102-L110 HydrophobicContact CD2-CD1 3.88Å; L102-L110 HydrophobicContact CD2-CD2 4.03Å; L102-L110 HydrophobicContact CD2-CG 4.07Å
103C90.6Very high81.9Confident9 Ų948 Ų486%0.06127%0.266CS..EExtended strand (participates in β ladder)trans-105167.117360.70000111.7C54 G105 M106C54-C103 CarbonylContact O-C 3.56Å; C54-C103 VanDerWaalsContact O-CA 3.29Å; C54-C103 WeakPolarHBondContact O-CA 3.5Å; C103-G105 VanDerWaalsContact C-N 3.25Å; C103-G105 PolarHBondContact O-N 2.8Å; C103-G105 VanDerWaalsContact O-N 3.13Å; C103-M106 WeakPolarHBondContact O-CB 3.47Å; C103-M106 PolarHBondContact O-N 2.9Å
104D85.8Confident81.6Confident34 Ų3448.7 Ų48.718%0.18227%0.271CS..G310 helixtrans-51.1-40.8-178.1-77.7-38.1000113.7C54 Q55 M106 L107 R132C54-D104 PolarHBondContact O-N 2.87Å; Q55-D104 WeakPolarHBondContact CA-OD2 3.47Å; Q55-D104 PolarHBondContact O-N 3.39Å; D104-M106 PolarHBondContact O-N 3.13Å; D104-L107 HydrophobicContact CB-CD1 4.27Å; D104-L107 WeakPolarHBondContact O-CB 3.49Å; D104-L107 VanDerWaalsContact O-CG 3.28Å; D104-L107 WeakPolarHBondContact O-CG 3.32Å; D104-L107 PolarHBondContact O-N 3.3Å; D104-L107 WeakPolarHBondContact OD1-CD1 3.14Å; D104-R132 IonicContact OD1-CZ 2.66Å; D104-R132 IonicContact OD1-NE 2.66Å; D104-R132 PolarHBondContact OD1-NE 3.25Å; D104-R132 IonicContact OD1-NH2 3.91Å; D104-R132 PolarHBondContact OD1-NH2 3.06Å; D104-R132 IonicContact OD2-CZ 3.53Å; D104-R132 IonicContact OD2-NE 3.77Å; D104-R132 IonicContact OD2-NH2 3.54Å; D104-R132 PolarHBondContact OD2-NH2 3.44Å
105G82.8Confident82Confident55 Ų5547.4 Ų47.457%0.56726%0.257SS*.G310 helixtrans-64.20.7176.200000116C103C103-G105 VanDerWaalsContact C-N 3.25Å; C103-G105 PolarHBondContact O-N 2.8Å; C103-G105 VanDerWaalsContact O-N 3.13Å
106M85.3Confident82.3Confident2 Ų242.8 Ų42.81%0.0124%0.244CC..G310 helixtrans-111.50.9173.9-62.6-55.1-67.900113.3L77 P79 V84 L102 C103 D104 H109 L110L77-M106 HydrophobicContact CD2-CB 4.49Å; L77-M106 HydrophobicContact CD2-CE 3.86Å; L77-M106 HydrophobicContact CG-CE 4.31Å; P79-M106 VanDerWaalsContact CA-SD 3.58Å; P79-M106 HydrophobicContact CB-SD 4Å; V84-M106 HydrophobicContact CG1-CE 3.79Å; V84-M106 HydrophobicContact CG2-CE 3.93Å; L102-M106 HydrophobicContact CB-CB 4.15Å; C103-M106 WeakPolarHBondContact O-CB 3.47Å; C103-M106 PolarHBondContact O-N 2.9Å; D104-M106 PolarHBondContact O-N 3.13Å; M106-H109 HydrophobicContact CE-CB 4.02Å; M106-H109 WeakPolarHBondContact O-CB 3.35Å; M106-H109 PolarHBondContact O-N 3.17Å; M106-H109 VanDerWaalsContact O-N 3.11Å; M106-L110 PolarHBondContact O-N 2.95Å
107L83.6Confident82.5Confident6 Ų641.2 Ų41.23%0.03124%0.236CC..G310 helixtrans-66.1-39.6-178.6-67.1169.4000112.5I53 L102 D104 H109 L110 R132 W135I53-L107 HydrophobicContact CD1-CD2 4.24Å; L102-L107 HydrophobicContact CD1-CD2 3.78Å; L102-L107 HydrophobicContact CD1-CG 4.39Å; D104-L107 HydrophobicContact CB-CD1 4.27Å; D104-L107 WeakPolarHBondContact O-CB 3.49Å; D104-L107 VanDerWaalsContact O-CG 3.28Å; D104-L107 WeakPolarHBondContact O-CG 3.32Å; D104-L107 PolarHBondContact O-N 3.3Å; D104-L107 WeakPolarHBondContact OD1-CD1 3.14Å; L107-H109 PolarHBondContact O-N 2.78Å; L107-L110 HydrophobicContact CD2-CD1 4.01Å; L107-L110 PolarHBondContact O-N 2.79Å; L107-R132 HydrophobicContact CD1-CB 3.97Å; L107-R132 HydrophobicContact CD1-CG 3.79Å; L107-W135 HydrophobicContact CB-CB 3.99Å; L107-W135 HydrophobicContact CB-CG 4.06Å
108E79.4Confident83.1Confident125 Ų12538.5 Ų38.558%0.58422%0.222SC*.G310 helixtrans-60.1-26.217369.717917800112.8W135E108-W135 HydrophobicContact CB-CH2 3.95Å; E108-W135 HydrophobicContact CB-CZ2 4.07Å; E108-W135 HydrophobicContact CB-CZ3 4.29Å
109H77.3Confident83.3Confident81 Ų8134.7 Ų34.738%0.37520%0.204SC..G310 helixtrans-84.6-15.9-176.2-72.581.7000113.3V84 L88 M106 L107 G111V84-H109 HydrophobicContact CG1-CB 4.48Å; L88-H109 WeakPolarHBondContact CD1-O 3.47Å; M106-H109 HydrophobicContact CE-CB 4.02Å; M106-H109 WeakPolarHBondContact O-CB 3.35Å; M106-H109 PolarHBondContact O-N 3.17Å; M106-H109 VanDerWaalsContact O-N 3.11Å; L107-H109 PolarHBondContact O-N 2.78Å; H109-G111 VanDerWaalsContact C-N 3.29Å; H109-G111 PolarHBondContact O-N 2.83Å
110L76.8Confident83.4Confident7 Ų734.1 Ų34.14%0.03720%0.199CC..  trans-62.8-32.8-178.5-90.4160.1000113.1I51 L88 L100 L102 M106 L107 V112 V113I51-L110 HydrophobicContact CD1-CD2 4.05Å; L88-L110 HydrophobicContact CD2-CD2 4.12Å; L100-L110 HydrophobicContact CD2-CD2 4.45Å; L102-L110 HydrophobicContact CD1-CD1 4.47Å; L102-L110 HydrophobicContact CD2-CD1 3.88Å; L102-L110 HydrophobicContact CD2-CD2 4.03Å; L102-L110 HydrophobicContact CD2-CG 4.07Å; M106-L110 PolarHBondContact O-N 2.95Å; L107-L110 HydrophobicContact CD2-CD1 4.01Å; L107-L110 PolarHBondContact O-N 2.79Å; L110-V112 PolarHBondContact O-N 2.84Å; L110-V113 HydrophobicContact CD2-CG2 3.91Å
111G72.6Confident83.2Confident40 Ų4035.3 Ų35.341%0.41221%0.206SC..  trans67-127.1-173.800000111.5H109 S139H109-G111 VanDerWaalsContact C-N 3.29Å; H109-G111 PolarHBondContact O-N 2.83Å; G111-S139 VanDerWaalsContact O-CA 3.29Å; G111-S139 WeakPolarHBondContact O-CA 3.49Å; G111-S139 VanDerWaalsContact O-CB 3.22Å; G111-S139 WeakPolarHBondContact O-CB 3.44Å; G111-S139 PolarHBondContact O-OG 3.2Å
112V71.6Confident82.9Confident118 Ų11837.4 Ų37.472%0.71522%0.219SC*.SBendtrans-118.7118.9171.5-179.30000108.3L110L110-V112 PolarHBondContact O-N 2.84Å
113V76.3Confident82.4Confident10 Ų1040.5 Ų40.56%0.06124%0.236CC..  trans-131.7148.6177-64.40000111.1I51 W91 L110 A115 S139I51-V113 HydrophobicContact CD1-CG2 4.2Å; W91-V113 HydrophobicContact CZ3-CB 4.23Å; W91-V113 HydrophobicContact CZ3-CG2 4.19Å; L110-V113 HydrophobicContact CD2-CG2 3.91Å; V113-A115 PolarHBondContact O-N 2.85Å; V113-S139 CarbonylContact C-O 3.6Å; V113-S139 WeakPolarHBondContact CG2-O 3.32Å; V113-S139 PolarHBondContact N-O 3.06Å
114E74.2Confident81.8Confident148 Ų14840.7 Ų40.769%0.69224%0.237SC*.  trans-84.2113.9166.5-67.2170.8161.700107.7K49K49-E114 WeakPolarHBondContact CD-O 3.43Å; K49-E114 IonicContact NZ-OE2 2.72Å
115A81.6Confident81.5Confident7 Ų745.1 Ų45.16%0.05826%0.256CS..  trans-120.7138.7170.600000108.4I51 W91 V113 V118 A140 A143I51-A115 HydrophobicContact CD1-CB 3.71Å; I51-A115 HydrophobicContact CG1-CB 4Å; W91-A115 HydrophobicContact CH2-CB 4.31Å; V113-A115 PolarHBondContact O-N 2.85Å; A115-V118 HydrophobicContact CB-CG2 4.45Å; A115-A140 HydrophobicContact CB-CB 4.23Å; A115-A143 VanDerWaalsContact O-CB 3.3Å; A115-A143 WeakPolarHBondContact O-CB 3.4Å
116N83.8Confident81.1Confident74 Ų7448.1 Ų48.140%0.39626%0.259SS..SBendtrans-89.5-33.4-179.7-59.392.8000111.3E48 K49 E144E48-N116 HydrophobicContact CB-CB 4.19Å; E48-N116 HydrophobicContact CG-CB 4.31Å; K49-N116 PolarHBondContact N-OD1 2.85Å; K49-N116 PolarHBondContact O-N 3.42Å; N116-E144 PolarHBondContact O-N 3.45Å
117L85.6Confident80.6Confident1 Ų154.1 Ų54.11%0.00529%0.291CS..EExtended strand (participates in β ladder)trans-138.5134-178.217966.9000109.8T39 K49 T50 I51 I119 E144 L146T39-L117 HydrophobicContact CG2-CD2 4.3Å; K49-L117 PolarHBondContact O-N 2.74Å; T50-L117 WeakPolarHBondContact CA-O 3.49Å; T50-L117 HydrophobicContact CG2-CB 4.17Å; T50-L117 HydrophobicContact CG2-CD2 3.87Å; T50-L117 HydrophobicContact CG2-CG 4.09Å; I51-L117 PolarHBondContact N-O 2.8Å; L117-I119 HydrophobicContact CD1-CG1 4.39Å; L117-I119 HydrophobicContact CD2-CD1 3.77Å; L117-I119 HydrophobicContact CD2-CG1 3.84Å; L117-I119 HydrophobicContact CG-CD1 4.32Å; L117-I119 HydrophobicContact CG-CG1 3.81Å; L117-E144 WeakPolarHBondContact CA-O 3.45Å; L117-E144 HydrophobicContact CD1-CB 4.09Å; L117-E144 HydrophobicContact CD1-CG 4.21Å; L117-L146 HydrophobicContact CD1-CB 4Å
118V89.1Confident80.3Confident0 Ų058.3 Ų58.30%031%0.309CS..EExtended strand (participates in β ladder)trans-120.2120.3170.11780000108.1I51 I53 A115 L136 A140 A143 E144 M145 L146I51-V118 HydrophobicContact CB-CG2 4.33Å; I53-V118 HydrophobicContact CD1-CG1 3.42Å; I53-V118 VanDerWaalsContact CD1-CG1 3.42Å; I53-V118 HydrophobicContact CG1-CG1 4.07Å; A115-V118 HydrophobicContact CB-CG2 4.45Å; V118-L136 HydrophobicContact CG1-CD1 4.08Å; V118-L136 HydrophobicContact CG1-CD2 4.24Å; V118-L136 HydrophobicContact CG2-CD2 4.41Å; V118-A140 HydrophobicContact CG2-CB 4.2Å; V118-A143 HydrophobicContact CG2-CB 3.84Å; V118-E144 PolarHBondContact N-O 2.86Å; V118-M145 HydrophobicContact CB-CE 4.46Å; V118-M145 HydrophobicContact CB-SD 3.7Å; V118-M145 HydrophobicContact CG1-SD 4.06Å; V118-M145 HydrophobicContact CG2-CE 4.4Å; V118-M145 HydrophobicContact CG2-SD 4.27Å; V118-L146 PolarHBondContact O-N 2.95Å
119I90.7Very high80.4Confident0 Ų053.4 Ų53.40%029%0.285CS..EExtended strand (participates in β ladder)trans-107114.5-179.3-47.3-178.2000109.3L36 L40 T50 I51 L52 I53 L117 T121 L146 I148L36-I119 HydrophobicContact CD1-CD1 3.56Å; L36-I119 HydrophobicContact CD1-CG2 3.9Å; L40-I119 HydrophobicContact CD2-CD1 4.25Å; T50-I119 HydrophobicContact CG2-CD1 3.87Å; T50-I119 HydrophobicContact CG2-CG1 4.06Å; I51-I119 PolarHBondContact O-N 3.34Å; L52-I119 HydrophobicContact CD2-CB 4.05Å; L52-I119 HydrophobicContact CD2-CD1 4.01Å; L52-I119 HydrophobicContact CD2-CG1 4.46Å; L52-I119 HydrophobicContact CD2-CG2 4.45Å; I53-I119 PolarHBondContact N-O 3.41Å; L117-I119 HydrophobicContact CD1-CG1 4.39Å; L117-I119 HydrophobicContact CD2-CD1 3.77Å; L117-I119 HydrophobicContact CD2-CG1 3.84Å; L117-I119 HydrophobicContact CG-CD1 4.32Å; L117-I119 HydrophobicContact CG-CG1 3.81Å; I119-T121 HydrophobicContact CG2-CG2 3.94Å; I119-T121 PolarHBondContact O-N 3.35Å; I119-L146 CarbonylContact C-O 3.51Å; I119-L146 VanDerWaalsContact CA-O 3.3Å; I119-L146 WeakPolarHBondContact CA-O 3.27Å; I119-L146 HydrophobicContact CD1-CD2 4.18Å; I119-L146 HydrophobicContact CG1-CB 4.29Å; I119-L146 HydrophobicContact CG1-CD2 4.16Å; I119-L146 HydrophobicContact CG2-CB 4.39Å; I119-L146 HydrophobicContact CG2-CD2 4.1Å; I119-L146 HydrophobicContact CG2-CG 4.2Å; I119-I148 HydrophobicContact CG2-CD1 4.06Å; I119-I148 HydrophobicContact CG2-CG1 4.39Å
120H91Very high80.6Confident0 Ų055 Ų550%029%0.293CS..EExtended strand (participates in β ladder)trans-83.7104.6171.3-61.4-120.1000107.6F129 R132 L146 V147 I148H120-F129 AromaticContact CE1-CE2 3.77Å; H120-F129 AromaticContact ND1-CE2 3.45Å; H120-F129 WeakPolarHBondContact ND1-CE2 3.44Å; H120-R132 VanDerWaalsContact CE1-CD 3.49Å; H120-R132 WeakPolarHBondContact CE1-CD 3.42Å; H120-R132 WeakPolarHBondContact ND1-CD 3.48Å; H120-L146 PolarHBondContact N-O 3.27Å; H120-V147 HydrophobicContact CB-CG1 4.44Å; H120-V147 HydrophobicContact CB-CG2 4.23Å; H120-I148 PolarHBondContact O-N 2.86Å
121T86.8Confident80.7Confident24 Ų2459.9 Ų59.915%0.14732%0.316CS..SBendtrans-91-23-175.756.60000113.3L36 L52 I53 C54 L63 I119L36-T121 HydrophobicContact CD2-CG2 3.92Å; L52-T121 HydrophobicContact CD2-CG2 3.92Å; I53-T121 PolarHBondContact O-N 2.85Å; I53-T121 PolarHBondContact O-OG1 2.93Å; C54-T121 PolarHBondContact SG-OG1 3.37Å; C54-T121 VanDerWaalsContact SG-OG1 3.34Å; L63-T121 HydrophobicContact CD2-CG2 3.93Å; I119-T121 HydrophobicContact CG2-CG2 3.94Å; I119-T121 PolarHBondContact O-N 3.35Å
122T84.1Confident81.5Confident44 Ų4458 Ų5827%0.2730%0.296SS..SBendtrans-134.6141.3163.751.20000109.5C54 Q55 E59 R132C54-T122 WeakPolarHBondContact CA-OG1 3.46Å; Q55-T122 PolarHBondContact N-OG1 2.94Å; E59-T122 WeakPolarHBondContact OE2-CB 3.06Å; E59-T122 WeakPolarHBondContact OE2-CG2 3.28Å; E59-T122 PolarHBondContact OE2-OG1 2.78Å; T122-R132 PolarHBondContact O-NH1 2.93Å
123L81Confident82.1Confident66 Ų6654.6 Ų54.635%0.34627%0.274SS..PPolyproline II helixtrans-99.2126.1179.6-78.6173.5000110.5F129 V147 T149L123-F129 HydrophobicContact CD2-CD2 3.77Å; L123-F129 HydrophobicContact CD2-CE2 3.43Å; L123-F129 VanDerWaalsContact CD2-CE2 3.43Å; L123-F129 HydrophobicContact CD2-CZ 4.13Å; L123-V147 HydrophobicContact CD1-CG1 3.71Å; L123-V147 HydrophobicContact CD2-CG1 3.72Å; L123-V147 HydrophobicContact CG-CG1 3.88Å; L123-T149 HydrophobicContact CD1-CG2 4.49Å
124P79Confident82.3Confident13 Ų1361.2 Ų61.28%0.08430%0.302CS..PPolyproline II helixtrans-87.5170.5171.338.7-34.6000111Q55 K128 F129Q55-P124 HydrophobicContact CG-CB 4.23Å; P124-K128 HydrophobicContact CB-CB 3.9Å; P124-K128 HydrophobicContact CG-CB 4.14Å; P124-F129 HydrophobicContact CG-CB 4.04Å; P124-F129 HydrophobicContact CG-CD2 4.44Å
125E78.3Confident82.7Confident127 Ų12758.3 Ų58.359%0.59328%0.284SS*.PPolyproline II helixtrans-48.9146.9170-61.1160.1157.300112.2N127 K128 F129E125-N127 VanDerWaalsContact C-N 3.32Å; E125-N127 PolarHBondContact O-N 3.27Å; E125-N127 VanDerWaalsContact O-N 3.11Å; E125-K128 WeakPolarHBondContact O-CA 3.22Å; E125-K128 WeakPolarHBondContact O-CB 3.24Å; E125-K128 PolarHBondContact O-N 3.41Å; E125-K128 IonicContact OE2-NZ 2.95Å; E125-K128 PolarHBondContact OE2-NZ 3.42Å; E125-F129 PolarHBondContact O-N 3.09Å
126L74.6Confident82.7Confident117 Ų11758.1 Ų58.161%0.61328%0.282SS*.Hα-helixtrans-46.4-49-171.8-176.163.6000113.9K128 F129 E130L126-K128 VanDerWaalsContact C-N 3.29Å; L126-K128 PolarHBondContact O-N 3.12Å; L126-F129 CarbonylContact O-C 3.58Å; L126-F129 WeakPolarHBondContact O-CA 3.42Å; L126-F129 WeakPolarHBondContact O-CB 3.43Å; L126-F129 PolarHBondContact O-N 3.29Å; L126-E130 WeakPolarHBondContact O-CG 3.41Å; L126-E130 PolarHBondContact O-N 3.38Å
127N74.6Confident82.3Confident128 Ų12858 Ų5868%0.68429%0.287SS*.Hα-helixtrans-59.1-37.4-179.6-59.3-12.1000113.1E125 E131E125-N127 VanDerWaalsContact C-N 3.32Å; E125-N127 PolarHBondContact O-N 3.27Å; E125-N127 VanDerWaalsContact O-N 3.11Å; N127-E131 PolarHBondContact O-N 3.07Å
128K77.3Confident81.7Confident94 Ų9461.7 Ų61.741%0.40931%0.307SS..Hα-helixtrans-79.3-29.8176.4-70.5170.6-176.3146.90111.6P124 E125 L126 E131 R132P124-K128 HydrophobicContact CB-CB 3.9Å; P124-K128 HydrophobicContact CG-CB 4.14Å; E125-K128 WeakPolarHBondContact O-CA 3.22Å; E125-K128 WeakPolarHBondContact O-CB 3.24Å; E125-K128 PolarHBondContact O-N 3.41Å; E125-K128 IonicContact OE2-NZ 2.95Å; E125-K128 PolarHBondContact OE2-NZ 3.42Å; L126-K128 VanDerWaalsContact C-N 3.29Å; L126-K128 PolarHBondContact O-N 3.12Å; K128-E131 PolarHBondContact O-N 2.89Å; K128-R132 WeakPolarHBondContact O-CB 3.43Å; K128-R132 PolarHBondContact O-N 3.42Å
129F82.9Confident80.7Confident22 Ų2261.9 Ų61.910%0.09631%0.308CS..Hα-helixtrans-67.5-42172.4-173-110.1000111F21 H120 L123 P124 E125 L126 E131 R132 L133F21-F129 HydrophobicContact CE1-CZ 4.41Å; H120-F129 AromaticContact CE1-CE2 3.77Å; H120-F129 AromaticContact ND1-CE2 3.45Å; H120-F129 WeakPolarHBondContact ND1-CE2 3.44Å; L123-F129 HydrophobicContact CD2-CD2 3.77Å; L123-F129 HydrophobicContact CD2-CE2 3.43Å; L123-F129 VanDerWaalsContact CD2-CE2 3.43Å; L123-F129 HydrophobicContact CD2-CZ 4.13Å; P124-F129 HydrophobicContact CG-CB 4.04Å; P124-F129 HydrophobicContact CG-CD2 4.44Å; E125-F129 PolarHBondContact O-N 3.09Å; L126-F129 CarbonylContact O-C 3.58Å; L126-F129 WeakPolarHBondContact O-CA 3.42Å; L126-F129 WeakPolarHBondContact O-CB 3.43Å; L126-F129 PolarHBondContact O-N 3.29Å; F129-E131 PolarHBondContact O-N 3.44Å; F129-R132 WeakPolarHBondContact O-CB 3.43Å; F129-R132 PolarHBondContact O-N 3.01Å; F129-L133 HydrophobicContact CD1-CD1 3.98Å; F129-L133 HydrophobicContact CD1-CG 4.35Å; F129-L133 HydrophobicContact CE1-CD1 3.63Å; F129-L133 HydrophobicContact CE1-CG 4.15Å; F129-L133 HydrophobicContact CZ-CD1 4.19Å; F129-L133 HydrophobicContact CZ-CD2 4.31Å; F129-L133 HydrophobicContact CZ-CG 4.35Å; F129-L133 WeakPolarHBondContact O-CG 3.23Å; F129-L133 PolarHBondContact O-N 2.87Å
130E80.3Confident79.7Confident115 Ų11562 Ų6254%0.53731%0.309SS..Hα-helixtrans-61.2-41.4171.8-71.9-177.6-177.400112.1L126 L133 K134L126-E130 WeakPolarHBondContact O-CG 3.41Å; L126-E130 PolarHBondContact O-N 3.38Å; E130-L133 PolarHBondContact O-N 3.11Å; E130-K134 WeakPolarHBondContact O-CB 3.41Å; E130-K134 PolarHBondContact O-N 3.21Å
131E80.6Confident78.5Confident110 Ų11070.9 Ų70.951%0.51434%0.342SS..Hα-helixtrans-62.3-45.1172.1-175.2173.5-165.500112N127 K128 F129 L133 K134 W135N127-E131 PolarHBondContact O-N 3.07Å; K128-E131 PolarHBondContact O-N 2.89Å; F129-E131 PolarHBondContact O-N 3.44Å; E131-L133 VanDerWaalsContact C-N 3.33Å; E131-L133 PolarHBondContact O-N 2.73Å; E131-K134 WeakPolarHBondContact O-CB 3.4Å; E131-K134 PolarHBondContact O-N 3.36Å; E131-W135 VanDerWaalsContact O-CD1 3.24Å; E131-W135 PolarHBondContact O-N 2.97Å
132R88Confident77.6Confident1 Ų177.9 Ų77.90%0.00438%0.379CS..Hα-helixtrans-56.4-46.3174.2178-172.8-66.9-176.67.4111.2D104 L107 H120 T122 K128 F129 W135 L136D104-R132 IonicContact OD1-CZ 2.66Å; D104-R132 IonicContact OD1-NE 2.66Å; D104-R132 PolarHBondContact OD1-NE 3.25Å; D104-R132 IonicContact OD1-NH2 3.91Å; D104-R132 PolarHBondContact OD1-NH2 3.06Å; D104-R132 IonicContact OD2-CZ 3.53Å; D104-R132 IonicContact OD2-NE 3.77Å; D104-R132 IonicContact OD2-NH2 3.54Å; D104-R132 PolarHBondContact OD2-NH2 3.44Å; L107-R132 HydrophobicContact CD1-CB 3.97Å; L107-R132 HydrophobicContact CD1-CG 3.79Å; H120-R132 VanDerWaalsContact CE1-CD 3.49Å; H120-R132 WeakPolarHBondContact CE1-CD 3.42Å; H120-R132 WeakPolarHBondContact ND1-CD 3.48Å; T122-R132 PolarHBondContact O-NH1 2.93Å; K128-R132 WeakPolarHBondContact O-CB 3.43Å; K128-R132 PolarHBondContact O-N 3.42Å; F129-R132 WeakPolarHBondContact O-CB 3.43Å; F129-R132 PolarHBondContact O-N 3.01Å; R132-W135 PolarHBondContact O-N 3.29Å; R132-L136 HydrophobicContact CG-CD1 3.96Å; R132-L136 VanDerWaalsContact O-CG 3.29Å; R132-L136 WeakPolarHBondContact O-CG 3.16Å; R132-L136 PolarHBondContact O-N 3.47Å
133L83.8Confident77.3Confident46 Ų4676 Ų7624%0.24137%0.368CS..Hα-helixtrans-65.8-37177.3-68.5-174.9000112.6F21 F129 E130 E131 L136 S137F21-L133 HydrophobicContact CE1-CD1 4.41Å; F21-L133 HydrophobicContact CE1-CD2 3.7Å; F21-L133 HydrophobicContact CZ-CD1 3.9Å; F21-L133 HydrophobicContact CZ-CD2 3.67Å; F21-L133 HydrophobicContact CZ-CG 4.46Å; F129-L133 HydrophobicContact CD1-CD1 3.98Å; F129-L133 HydrophobicContact CD1-CG 4.35Å; F129-L133 HydrophobicContact CE1-CD1 3.63Å; F129-L133 HydrophobicContact CE1-CG 4.15Å; F129-L133 HydrophobicContact CZ-CD1 4.19Å; F129-L133 HydrophobicContact CZ-CD2 4.31Å; F129-L133 HydrophobicContact CZ-CG 4.35Å; F129-L133 WeakPolarHBondContact O-CG 3.23Å; F129-L133 PolarHBondContact O-N 2.87Å; E130-L133 PolarHBondContact O-N 3.11Å; E131-L133 VanDerWaalsContact C-N 3.33Å; E131-L133 PolarHBondContact O-N 2.73Å; L133-L136 HydrophobicContact CD2-CD1 4.42Å; L133-L136 PolarHBondContact O-N 3.05Å; L133-S137 WeakPolarHBondContact O-CB 3.31Å; L133-S137 PolarHBondContact O-N 2.9Å
134K81.6Confident77.4Confident149 Ų14975.8 Ų75.865%0.64837%0.365SS*.Hα-helixtrans-60.4-46.6174.9-176.4-178.8178.1-176.50111.1E130 E131 S137E130-K134 WeakPolarHBondContact O-CB 3.41Å; E130-K134 PolarHBondContact O-N 3.21Å; E131-K134 WeakPolarHBondContact O-CB 3.4Å; E131-K134 PolarHBondContact O-N 3.36Å; K134-S137 PolarHBondContact O-N 3.44Å; K134-S137 PolarHBondContact O-OG 3.47Å
135W81.9Confident77.8Confident86 Ų8675.6 Ų75.633%0.32636%0.363SS..Hα-helixtrans-62.4-45.8173.9-74.5110.8000111.9L107 E108 E131 R132 S137 I138 S139L107-W135 HydrophobicContact CB-CB 3.99Å; L107-W135 HydrophobicContact CB-CG 4.06Å; E108-W135 HydrophobicContact CB-CH2 3.95Å; E108-W135 HydrophobicContact CB-CZ2 4.07Å; E108-W135 HydrophobicContact CB-CZ3 4.29Å; E131-W135 VanDerWaalsContact O-CD1 3.24Å; E131-W135 PolarHBondContact O-N 2.97Å; R132-W135 PolarHBondContact O-N 3.29Å; W135-S137 VanDerWaalsContact C-N 3.31Å; W135-S137 PolarHBondContact O-N 3.32Å; W135-I138 WeakPolarHBondContact O-CB 3.44Å; W135-I138 PolarHBondContact O-N 3.45Å; W135-I138 VanDerWaalsContact O-N 3.08Å; W135-S139 WeakPolarHBondContact O-CB 3.08Å; W135-S139 PolarHBondContact O-N 2.56Å; W135-S139 PolarHBondContact O-OG 3.41Å; W135-S139 VanDerWaalsContact O-OG 3.13Å
136L81.7Confident78.2Confident3 Ų370.1 Ų70.12%0.01634%0.338CS..Hα-helixtrans-63.4-31.3177.7-67.4167.7000113.6I53 V118 R132 L133 I138 S139 A140 M145I53-L136 HydrophobicContact CD1-CD1 3.76Å; I53-L136 HydrophobicContact CD1-CD2 3.87Å; I53-L136 HydrophobicContact CD1-CG 4.31Å; V118-L136 HydrophobicContact CG1-CD1 4.08Å; V118-L136 HydrophobicContact CG1-CD2 4.24Å; V118-L136 HydrophobicContact CG2-CD2 4.41Å; R132-L136 HydrophobicContact CG-CD1 3.96Å; R132-L136 VanDerWaalsContact O-CG 3.29Å; R132-L136 WeakPolarHBondContact O-CG 3.16Å; R132-L136 PolarHBondContact O-N 3.47Å; L133-L136 HydrophobicContact CD2-CD1 4.42Å; L133-L136 PolarHBondContact O-N 3.05Å; L136-I138 PolarHBondContact O-N 3.14Å; L136-S139 PolarHBondContact O-N 3.35Å; L136-A140 HydrophobicContact CD2-CB 4.16Å; L136-A140 CarbonylContact O-C 3.59Å; L136-A140 WeakPolarHBondContact O-CA 3.4Å; L136-A140 PolarHBondContact O-N 3.03Å; L136-M145 HydrophobicContact CB-CE 4.39Å; L136-M145 HydrophobicContact CD1-SD 4.5Å
137S75.1Confident78.8Confident72 Ų7264.6 Ų64.650%0.50331%0.309SS..Hα-helixtrans-64.5-26.1174.8800000113.4L133 K134 W135 R141L133-S137 WeakPolarHBondContact O-CB 3.31Å; L133-S137 PolarHBondContact O-N 2.9Å; K134-S137 PolarHBondContact O-N 3.44Å; K134-S137 PolarHBondContact O-OG 3.47Å; W135-S137 VanDerWaalsContact C-N 3.31Å; W135-S137 PolarHBondContact O-N 3.32Å; S137-R141 WeakPolarHBondContact O-CG 3.39Å
138I72.8Confident79.4Confident79 Ų7958.9 Ų58.941%0.40528%0.278SS..Hα-helixtrans-85.5-45.9172.9-59.5166.7000109.5W135 L136W135-I138 WeakPolarHBondContact O-CB 3.44Å; W135-I138 PolarHBondContact O-N 3.45Å; W135-I138 VanDerWaalsContact O-N 3.08Å; L136-I138 PolarHBondContact O-N 3.14Å
139S69.3Low79.4Confident3 Ų355.9 Ų55.92%0.02127%0.268CS..Hα-helixtrans-92.6-21-163.6-60.50000116.4G111 V113 W135 L136G111-S139 VanDerWaalsContact O-CA 3.29Å; G111-S139 WeakPolarHBondContact O-CA 3.49Å; G111-S139 VanDerWaalsContact O-CB 3.22Å; G111-S139 WeakPolarHBondContact O-CB 3.44Å; G111-S139 PolarHBondContact O-OG 3.2Å; V113-S139 CarbonylContact C-O 3.6Å; V113-S139 WeakPolarHBondContact CG2-O 3.32Å; V113-S139 PolarHBondContact N-O 3.06Å; W135-S139 WeakPolarHBondContact O-CB 3.08Å; W135-S139 PolarHBondContact O-N 2.56Å; W135-S139 PolarHBondContact O-OG 3.41Å; W135-S139 VanDerWaalsContact O-OG 3.13Å; L136-S139 PolarHBondContact O-N 3.35Å
140A69.6Low78.3Confident3 Ų358.5 Ų58.53%0.02529%0.287CS..SBendtrans-146.857.3-169.900000111.6A115 V118 L136 N142 A143A115-A140 HydrophobicContact CB-CB 4.23Å; V118-A140 HydrophobicContact CG2-CB 4.2Å; L136-A140 HydrophobicContact CD2-CB 4.16Å; L136-A140 CarbonylContact O-C 3.59Å; L136-A140 WeakPolarHBondContact O-CA 3.4Å; L136-A140 PolarHBondContact O-N 3.03Å; A140-N142 PolarHBondContact O-N 2.94Å; A140-A143 HydrophobicContact CB-CB 4.49Å; A140-A143 PolarHBondContact O-N 3.39Å
141R65Low76.9Confident187 Ų18756 Ų5671%0.70628%0.282SS*.THydrogen-bonded Turntrans-61.7135.5-176.1-68.9-176.3176.3-172.4-0.1112.1S137 A143S137-R141 WeakPolarHBondContact O-CG 3.39Å; R141-A143 PolarHBondContact O-N 3.33Å
142N67.7Low75.1Confident171 Ų17154.5 Ų54.591%0.91428%0.277SS*.THydrogen-bonded Turntrans63.215.8177.4-50.8-13.6000115.7A140A140-N142 PolarHBondContact O-N 2.94Å
143A78.6Confident72.8Confident5 Ų562.4 Ų62.44%0.04131%0.314CS..PPolyproline II helixtrans-66144.4171.200000111.5A115 V118 A140 R141 M145A115-A143 VanDerWaalsContact O-CB 3.3Å; A115-A143 WeakPolarHBondContact O-CB 3.4Å; V118-A143 HydrophobicContact CG2-CB 3.84Å; A140-A143 HydrophobicContact CB-CB 4.49Å; A140-A143 PolarHBondContact O-N 3.39Å; R141-A143 PolarHBondContact O-N 3.33Å; A143-M145 HydrophobicContact CB-CE 4.31Å
144E83.1Confident70.6Confident60 Ų6067 Ų6728%0.2834%0.335SS..EExtended strand (participates in β ladder)trans-67.5132.9164.3-176.2171.9-149.200108.9K13 R43 N116 L117 V118K13-E144 IonicContact NZ-OE1 2.85Å; K13-E144 PolarHBondContact NZ-OE1 2.81Å; R43-E144 IonicContact CZ-OE2 3.74Å; R43-E144 IonicContact NH1-OE2 3.17Å; R43-E144 IonicContact NH2-OE2 2.72Å; R43-E144 PolarHBondContact NH2-OE2 3.22Å; N116-E144 PolarHBondContact O-N 3.45Å; L117-E144 WeakPolarHBondContact CA-O 3.45Å; L117-E144 HydrophobicContact CD1-CB 4.09Å; L117-E144 HydrophobicContact CD1-CG 4.21Å; V118-E144 PolarHBondContact N-O 2.86Å
145M86.6Confident68.1Low9 Ų965.4 Ų65.44%0.04433%0.333CS..EExtended strand (participates in β ladder)trans-100.1120.6176.4-59.5-71.2167.600108.9T19 T20 F21 T22 V118 L136 A143T19-M145 HydrophobicContact CG2-CB 4.42Å; T19-M145 HydrophobicContact CG2-CE 4.21Å; T19-M145 HydrophobicContact CG2-CG 3.44Å; T19-M145 VanDerWaalsContact CG2-CG 3.44Å; T20-M145 PolarHBondContact O-N 3.18Å; F21-M145 CarbonylContact C-O 3.58Å; F21-M145 WeakPolarHBondContact CA-O 3.41Å; F21-M145 HydrophobicContact CD1-CB 3.36Å; F21-M145 HydrophobicContact CD1-CG 3.93Å; F21-M145 HydrophobicContact CE1-CB 3.59Å; F21-M145 HydrophobicContact CE1-CG 3.61Å; F21-M145 HydrophobicContact CE1-SD 4.4Å; F21-M145 HydrophobicContact CG-CB 4.03Å; F21-M145 HydrophobicContact CZ-CB 4.42Å; F21-M145 HydrophobicContact CZ-CG 4.08Å; T22-M145 PolarHBondContact N-O 3.31Å; V118-M145 HydrophobicContact CB-CE 4.46Å; V118-M145 HydrophobicContact CB-SD 3.7Å; V118-M145 HydrophobicContact CG1-SD 4.06Å; V118-M145 HydrophobicContact CG2-CE 4.4Å; V118-M145 HydrophobicContact CG2-SD 4.27Å; L136-M145 HydrophobicContact CB-CE 4.39Å; L136-M145 HydrophobicContact CD1-SD 4.5Å; A143-M145 HydrophobicContact CB-CE 4.31Å
146L87.8Confident65.6Low13 Ų1370.3 Ų70.37%0.06836%0.36CS..EExtended strand (participates in β ladder)trans-109.7129.7170.7177.363000108.4T22 A24 F35 T39 L117 V118 I119 H120T22-L146 HydrophobicContact CG2-CD1 4.14Å; T22-L146 CarbonylContact O-C 3.6Å; T22-L146 WeakPolarHBondContact O-CA 3.31Å; A24-L146 HydrophobicContact CB-CD1 4.07Å; F35-L146 HydrophobicContact CE1-CD2 4.33Å; T39-L146 HydrophobicContact CG2-CD2 4.34Å; L117-L146 HydrophobicContact CD1-CB 4Å; V118-L146 PolarHBondContact O-N 2.95Å; I119-L146 CarbonylContact C-O 3.51Å; I119-L146 VanDerWaalsContact CA-O 3.3Å; I119-L146 WeakPolarHBondContact CA-O 3.27Å; I119-L146 HydrophobicContact CD1-CD2 4.18Å; I119-L146 HydrophobicContact CG1-CB 4.29Å; I119-L146 HydrophobicContact CG1-CD2 4.16Å; I119-L146 HydrophobicContact CG2-CB 4.39Å; I119-L146 HydrophobicContact CG2-CD2 4.1Å; I119-L146 HydrophobicContact CG2-CG 4.2Å; H120-L146 PolarHBondContact N-O 3.27Å
147V87.8Confident63.3Low0 Ų079.6 Ų79.60%040%0.4CS..EExtended strand (participates in β ladder)trans-118.5118.8178.3-179.60000108.1F21 T22 Y23 A24 H120 L123F21-V147 HydrophobicContact CD1-CG2 4.11Å; T22-V147 PolarHBondContact O-N 3.21Å; Y23-V147 CarbonylContact C-O 3.56Å; Y23-V147 WeakPolarHBondContact CA-O 3.33Å; Y23-V147 HydrophobicContact CD1-CB 3.68Å; Y23-V147 HydrophobicContact CD1-CG1 3.66Å; Y23-V147 HydrophobicContact CD1-CG2 4.31Å; Y23-V147 HydrophobicContact CE1-CB 3.81Å; Y23-V147 HydrophobicContact CE1-CG1 3.64Å; Y23-V147 HydrophobicContact CE1-CG2 4Å; Y23-V147 HydrophobicContact CG-CB 4.25Å; A24-V147 PolarHBondContact N-O 2.85Å; H120-V147 HydrophobicContact CB-CG1 4.44Å; H120-V147 HydrophobicContact CB-CG2 4.23Å; L123-V147 HydrophobicContact CD1-CG1 3.71Å; L123-V147 HydrophobicContact CD2-CG1 3.72Å; L123-V147 HydrophobicContact CG-CG1 3.88Å
148I86.6Confident61.3Low8 Ų885.5 Ų85.54%0.04142%0.419CS..EExtended strand (participates in β ladder)trans-90.7108.9171-64.8172.4000106.9A24 P26 F35 L36 I119 H120A24-I148 WeakPolarHBondContact O-CA 3.38Å; P26-I148 HydrophobicContact CG-CG2 4.11Å; F35-I148 HydrophobicContact CD1-CD1 4.31Å; F35-I148 HydrophobicContact CE1-CG1 4.46Å; L36-I148 HydrophobicContact CB-CD1 4.24Å; L36-I148 HydrophobicContact CD1-CD1 4Å; I119-I148 HydrophobicContact CG2-CD1 4.06Å; I119-I148 HydrophobicContact CG2-CG1 4.39Å; H120-I148 PolarHBondContact O-N 2.86Å
149T77.1Confident59.2Low31 Ų3185.2 Ų85.219%0.1944%0.436CS..  trans-76.3132.216858.20000108.1Y23 A24 S25 L123Y23-T149 HydrophobicContact CD1-CG2 4.07Å; A24-T149 PolarHBondContact O-N 2.9Å; A24-T149 PolarHBondContact O-OG1 3.28Å; S25-T149 WeakPolarHBondContact CA-OG1 3.11Å; S25-T149 WeakPolarHBondContact CB-OG1 3.18Å; S25-T149 PolarHBondContact OG-OG1 3.31Å; L123-T149 HydrophobicContact CD1-CG2 4.49Å
150P59.2Low57.3Low77 Ų7795.4 Ų95.450%0.548%0.479SS..  trans-58.9147.916529.4-34.4000109.3
151C50.8Low55.3Low64 Ų6498.6 Ų98.643%0.43251%0.513SS..  trans-98.1100.7166.7-174.80000106.6P26 E153P26-C151 WeakPolarHBondContact O-CB 3.39Å; C151-E153 PolarHBondContact O-N 3.39Å
152D43.8Very low53.6Low78 Ų7899 Ų9942%0.41752%0.522SS..  trans-80.899.3-178.3-52-36000109.1E154 N155D152-E154 PolarHBondContact O-N 3.47Å; D152-N155 HydrophobicContact CB-CB 4.15Å; D152-N155 WeakPolarHBondContact CB-ND2 3.38Å; D152-N155 PolarHBondContact O-N 3.29Å; D152-N155 VanDerWaalsContact O-N 3.08Å; D152-N155 PolarHBondContact OD2-ND2 2.94Å
153E38.3Very low51.7Low166 Ų16697.1 Ų97.178%0.77652%0.518SS*.THydrogen-bonded Turntrans-60.7-8.7168-66.1-173.2166.400112.4C151C151-E153 PolarHBondContact O-N 3.39Å
154E37.3Very low49.3Very low144 Ų144105.8 Ų105.867%0.67356%0.557SS**THydrogen-bonded Turntrans-79.5-19.3175.2-58.7-173.815400113.2D152D152-E154 PolarHBondContact O-N 3.47Å
155N30.7Very low46.6Very low114 Ų114109 Ų10961%0.6158%0.583SS**SBendtrans-98.6-8-170-83.8-43.3000116.5D152 K157D152-N155 HydrophobicContact CB-CB 4.15Å; D152-N155 WeakPolarHBondContact CB-ND2 3.38Å; D152-N155 PolarHBondContact O-N 3.29Å; D152-N155 VanDerWaalsContact O-N 3.08Å; D152-N155 PolarHBondContact OD2-ND2 2.94Å; N155-K157 VanDerWaalsContact C-N 3.26Å; N155-K157 PolarHBondContact O-N 2.96Å
156E29.9Very low43.6Very low190 Ų190117.7 Ų117.789%0.88862%0.624SS**THydrogen-bonded Turntrans-82.315.7178.4-80.7-159158.300115
157K32.7Very low40.8Very low198 Ų198124.5 Ų124.586%0.86166%0.659SS**THydrogen-bonded Turntrans-125.33.1-176.7-74.5-176.2-178.9167.40117.3N155N155-K157 VanDerWaalsContact C-N 3.26Å; N155-K157 PolarHBondContact O-N 2.96Å
158E32.8Very low37.8Very low196 Ų196130.5 Ų130.592%0.91670%0.695SS**SBendtrans-11597.8163.3-64.9-161.1149.900109.5
159G28.2Very low34.9Very low72 Ų72138.7 Ų138.774%0.74273%0.733SS**  trans167.845.9-172.600000116.8
160K29.9Very low32.3Very low217 Ų217146 Ų14694%0.94377%0.765SS**  trans-130.2113163.1-83.1-165.9174.5-176.40110.3
161G27.2Very low30.5Very low70 Ų70153.5 Ų153.572%0.72278%0.783SS**  trans105.2125.4-158.400000108.7
162E28.7Very low29.1Very low195 Ų195158.7 Ų158.791%0.91180%0.803SS**  cis-137.9-174.42.4-66.8-170.1127.400112.3
163T27.8Very low28.3Very low133 Ų133160.2 Ų160.282%0.81682%0.818SS**  trans-59.6158.7-167.938.10000117.4
164E29.3Very low27.6Very low186 Ų186159.9 Ų159.987%0.86982%0.82SS**  trans-50.7156.4163.3-57.5175.5120.400112.8
165P27.2Very low26.8Very low127 Ų127163.1 Ų163.183%0.82583%0.832SS**  -138.3165.5116.737.6-27000116.4
166E22.3Very low26.5Very low192 Ų192162.9 Ų162.990%0.89783%0.834SS**  trans-61.2169.3-165.7-57.2173.1116.300118.8
167I30.1Very low26.2Very low156 Ų156162.1 Ų162.180%0.884%0.837SS**  trans-80.4129178.1-58.9162.5000111.7
168V23.3Very low25.8Very low126 Ų126155.9 Ų155.976%0.76482%0.822SS**  trans-134119.9157.5-178.90000111Q170V168-Q170 HydrophobicContact CG1-CG 4.38Å
169Q26Very low25.4Very low180 Ų180154.1 Ų154.184%0.84182%0.818SS**  trans-84.6133.5166-68-178.5-9.100110.5
170Q23.8Very low25.2Very low186 Ų186157.1 Ų157.187%0.86982%0.817SS**  trans-130.9153.6156.5-72.9-161.2-3.800111.5V168V168-Q170 HydrophobicContact CG1-CG 4.38Å
171R20.9Very low25Very low233 Ų233151.7 Ų151.788%0.87981%0.807SS**  trans-102.2139.5-164.7-63.3168.7167.8166.7-6.4111.6
172M21.2Very low24.9Very low173 Ų173156.8 Ų156.885%0.85281%0.814SS**  trans46.5161.8132.3-65.9-170.777.700121
173P26.6Very low24.8Very low110 Ų110155 Ų15571%0.71481%0.806SS**  cis-124.6166.43.138.6-23.4000115.2
174L23.6Very low24.6Very low159 Ų159155 Ų15583%0.83280%0.8SS**  trans-69.3154.6159.1-73.8142.1000110.6
175K21.3Very low24.3Very low213 Ų213155.1 Ų155.193%0.92679%0.793SS**  trans-101.5147.2158.1-138.7-174.4-175.9-168.70109.8
176V23.3Very low24.2Very low108 Ų108157 Ų15766%0.65579%0.791SS**  trans-118.9134.3-170.1173.80000109.7A178V176-A178 HydrophobicContact CG1-CB 4.07Å
177D23.7Very low24.3Very low175 Ų175153.7 Ų153.794%0.93678%0.779SS**  trans-127.493.4149.5-76.1-49.4000105.4
178A25.3Very low24.1Very low67 Ų67154.2 Ų154.255%0.55478%0.775SS**  cis106.494.940.400000111.1V176V176-A178 HydrophobicContact CG1-CB 4.07Å
179L22.9Very low24.2Very low159 Ų159154.1 Ų154.183%0.83277%0.766SS**  trans-159.5121.3136-133.372.8000113.7
180N24.7Very low24.2Very low134 Ų134151.6 Ų151.672%0.71776%0.759SS**  trans51.585.3145.8-59.3-0.1000121.6
181S26.8Very low24.2Very low104 Ų104148.7 Ų148.773%0.72775%0.754SS**  5.1141.3122.259.90000121.4
182M23.5Very low25.5Very low177 Ų177143 Ų14387%0.87275%0.747SS**  -145.5162.3117.8-110.1-169.974.800111
183Q27.2Very low26.7Very low158 Ų158139.2 Ų139.274%0.73874%0.735SS**  trans-104.6164.8-165.9-53151.5-61.800112.5
184L22.7Very low26.8Very low132 Ų132140.3 Ų140.369%0.69174%0.74SS**  170.6126.4103.7-101.6107.4000114
185Y24.3Very low27Very low188 Ų188137.6 Ų137.674%0.73773%0.734SS**  trans60.5100.8142.3-72.9-114.3000123.2
186E24.2Very low27.4Very low166 Ų166131.9 Ų131.978%0.77672%0.721SS**  41.8136.491.3-155.8-176-94.800121.5
187I26Very low27.6Very low124 Ų124135.5 Ų135.564%0.63673%0.731SS**  155.1115.8129.1-81.1172.3000114.7
188K25.5Very low27.8Very low166 Ų166133.3 Ų133.372%0.72272%0.719SS**  trans50.3160.5134.6-61.1-172.1164.5-135.30122.7
189E25.7Very low27.9Very low125 Ų125138.9 Ų138.958%0.58473%0.727SS**  cis-166.5170.6-8.3-118.8174.3-154.400114.8
190N24.7Very low28.1Very low127 Ų127140 Ų14068%0.67973%0.725SS**  trans70.198.7145.7-59-21000124.8
191T23.9Very low28.2Very low125 Ų125138.1 Ų138.177%0.76773%0.728SS**  -26.8-177.7121.229.90000119.4
192P49.6Very low28.2Very low113 Ų113141.7 Ų141.773%0.73473%0.733SS**  cis-127.6-120.9-18.431.4-7.3000110.5
193P45Very low28.4Very low94 Ų94137.3 Ų137.361%0.6173%0.725SS**  cis-132.7169.8-43.335.6-17000117.3
194T28.1Very low28.4Very low133 Ų133136.7 Ų136.782%0.81673%0.727SS**  trans61.2150.3146.8450000121.9
195S29.2Very low28.7Very low101 Ų101135.5 Ų135.571%0.70673%0.725SS**  cis-168.1-167.1-12.162.40000108.7
196S28.2Very low28.9Very low94 Ų94133.6 Ų133.666%0.65773%0.727SS**  cis-167.2145.3-1.721.10000111.8
197E29.1Very low29Very low184 Ų184132.4 Ų132.486%0.8673%0.725SS**  trans49.6108139.9-62.7177.817300124.4
198D27.8Very low29.1Very low128 Ų128131.5 Ų131.568%0.68473%0.73SS**  70.6139.2110.9-88.56.8000128.9
199Y27.2Very low29.1Very low185 Ų185128.2 Ų128.273%0.72573%0.734SS**  trans82.9127.4147.6-72.8-55.4000127.6
200K26.7Very low29.1Very low183 Ų183126.8 Ų126.880%0.79674%0.743SS**  trans69.8118.6142.1-70.4175.4-175.5178.80120.3
201A26.6Very low29.1Very low93 Ų93127.2 Ų127.277%0.76975%0.75SS**  87.2153.290.300000112.4
202E26.7Very low29.9Very low180 Ų180127.1 Ų127.184%0.84175%0.752SS**  cis-163.8159.814.6-160167.9-127.600110
203A27.7Very low28.6Very low85 Ų85126.7 Ų126.770%0.70276%0.758SS**  trans56160.8156.500000119.8
204D28.2Very low27.6Very low145 Ų145128.7 Ų128.778%0.77577%0.768SS**  cis-167.9174.6-7.8-117.930.6000107.2
205V28.8Very low27.5Very low106 Ų106129.6 Ų129.664%0.64277%0.767SS**  cis-175-173.5-29.1132.60000106.7
206L27.9Very low27.6Very low149 Ų149130.2 Ų130.278%0.7877%0.768SS**  trans81.5147.8176-45.7178.8000115.4
207L27.7Very low27.4Very low140 Ų140133.6 Ų133.673%0.73378%0.779SS**  cis-160.2152.3-15.2-120.5175.2000111.9
208S26.4Very low27.2Very low106 Ų106131.5 Ų131.574%0.74177%0.774SS**  trans62.7141.6155.165.10000119.5
209A26.7Very low27.1Very low97 Ų97133.2 Ų133.280%0.80278%0.783SS**  cis-171.8160.4-400000108.2
210A24.8Very low27Very low94 Ų94133.1 Ų133.178%0.77779%0.786SS**  cis-159.9-160.6-9.900000109.5
211T24.7Very low27Very low136 Ų136133.8 Ų133.883%0.83479%0.792SS**  trans-157.1-177.1-165.513.90000110.3
212P41.3Very low27Very low123 Ų123137.9 Ų137.980%0.79980%0.796SS**  cis-133.7173.5-14.434.8-16.6000115.3
213A22.5Very low26.9Very low104 Ų104138.2 Ų138.286%0.8680%0.797SS**  trans-156.3148.2152.800000113.4
214T23.2Very low26.7Very low136 Ų136141.3 Ų141.383%0.83480%0.8SS**  trans-95.2168-154.4-22.80000117
215I26.7Very low26.6Very low152 Ų152141.6 Ų141.678%0.77980%0.802SS**  trans74.1167160.90.1-178000117.9
216P29.9Very low26.4Very low114 Ų114144.4 Ų144.474%0.7481%0.812SS**  -125.3-173.9-101.244.4-29.5000116.5
217N25.3Very low26.3Very low165 Ų165141.1 Ų141.188%0.88280%0.802SS**  trans-48.7137.4166.8-83.6-9.5000114
218D24.7Very low26.4Very low140 Ų140141.6 Ų141.675%0.74981%0.81SS**  trans-148.3128.4142.4-142.2-19.2000108.6
219N26.1Very low26.5Very low165 Ų165143.1 Ų143.188%0.88281%0.806SS**  trans-157.7103.8175.8-126.6-0000108.9
220K25.3Very low26.5Very low182 Ų182144.9 Ų144.979%0.79180%0.801SS**  trans-116.7110.2174.8-74.8-178.7179.6172.30109.3
221E26.5Very low26.7Very low197 Ų197144.6 Ų144.692%0.92180%0.799SS**  trans-74.9148.7162.8-63.8-171.5127.100109.7
222Q25Very low26.9Very low180 Ų180143.2 Ų143.284%0.84179%0.791SS**  trans-107.4112-173-67.6179.8-34.800110.8
223E25Very low26.2Very low186 Ų186145.2 Ų145.287%0.86979%0.79SS**  trans-83.9132.9165.2-71.2-162.2127.700111.3
224I24.9Very low26.5Very low151 Ų151148.5 Ų148.577%0.77478%0.784SS**  trans-97.4107.8-174.7-61.7169.7000109.6
225N24.9Very low26.7Very low150 Ų150149 Ų14980%0.80278%0.781SS**  trans-94.7124168.5-84.8-78.8000110.7S227N225-S227 PolarHBondContact O-N 3.38Å
226L25.2Very low26.7Very low166 Ų166149.3 Ų149.387%0.86978%0.783SS**  trans-85.693.4179.8-77163.8000111.1
227S25.3Very low26.5Very low80 Ų80148.6 Ų148.656%0.55979%0.787SS**  trans-84.5148.8168.6-165.10000112N225 E229N225-S227 PolarHBondContact O-N 3.38Å; S227-E229 WeakPolarHBondContact CB-OE2 3.2Å; S227-E229 VanDerWaalsContact OG-CD 3.26Å; S227-E229 PolarHBondContact OG-OE2 3.17Å
228V30.2Very low26.5Very low150 Ų150144.9 Ų144.991%0.90977%0.774SS**SBendtrans-104.768.1-179-172.20000109.8
229E28.7Very low26.6Very low138 Ų138148 Ų14865%0.64578%0.781SS**  trans-124.2-26.8-174.3-72.4171.1123.900114.3S227 A231 T232S227-E229 WeakPolarHBondContact CB-OE2 3.2Å; S227-E229 VanDerWaalsContact OG-CD 3.26Å; S227-E229 PolarHBondContact OG-OE2 3.17Å; E229-A231 PolarHBondContact O-N 2.83Å; E229-T232 PolarHBondContact O-OG1 2.83Å
230D27.3Very low26.4Very low133 Ų133148.9 Ų148.971%0.71178%0.78SS**THydrogen-bonded Turntrans-79.341.2-169.3-165.215.9000114.9K234D230-K234 IonicContact OD1-NZ 2.69Å
231A27.3Very low26.4Very low88 Ų88149 Ų14973%0.72779%0.789SS**THydrogen-bonded Turntrans-127.3-13.9179.600000114.6E229E229-A231 PolarHBondContact O-N 2.83Å
232T28.9Very low26.3Very low108 Ų108142.6 Ų142.666%0.66378%0.775SS**SBendtrans-105.4-21.5-171.322.90000115.9E229E229-T232 PolarHBondContact O-OG1 2.83Å
233E27.8Very low26.1Very low165 Ų165139.4 Ų139.477%0.77177%0.773SS**G310 helixtrans-78.8-24.4-174.2-62.7-161.312900114.3L235E233-L235 PolarHBondContact O-N 2.82Å; E233-L235 VanDerWaalsContact O-N 3.15Å
234K27.6Very low26.1Very low173 Ų173136 Ų13675%0.75277%0.765SS**G310 helixtrans-81.215-175.6-73.9170-177.5139.30115.2D230D230-K234 IonicContact OD1-NZ 2.69Å
235L27.9Very low26Very low147 Ų147135.5 Ų135.577%0.7776%0.764SS**G310 helixtrans-125.54.3180-83.2170.9000115.3E233E233-L235 PolarHBondContact O-N 2.82Å; E233-L235 VanDerWaalsContact O-N 3.15Å
236L27Very low26Very low157 Ų157133.9 Ų133.982%0.82276%0.764SS**SBendtrans-104.42.9178.9-71.7170.7000114.4S238L236-S238 PolarHBondContact O-N 2.78Å
237A25.1Very low25.9Very low100 Ų100130.8 Ų130.883%0.82676%0.763SS**SBendtrans-98.451.3179.800000113.1
238S26.8Very low25.8Very low86 Ų86131.8 Ų131.860%0.60178%0.776SS**  trans-162.9157.4165.544.60000110.9L236L236-S238 PolarHBondContact O-N 2.78Å
239F25Very low25.6Very low205 Ų205131.9 Ų131.990%0.89978%0.776SS**  trans74.665.6-174.2-51.9-74.8000116.6
240E23.1Very low25.3Very low185 Ų185132.4 Ų132.486%0.86478%0.784SS**  trans-92174.6140.6-70.2-163.7134.200110.4
241L24.6Very low25.2Very low185 Ų185133.9 Ų133.997%0.96979%0.786SS**  trans76.5124.1-171.8-60.2148000114.7
242G23.9Very low25Very low62 Ų62135.6 Ų135.664%0.63979%0.793SS**  cis178.1149.3-9.300000115.8
243S22.6Very low24.8Very low113 Ų113135.6 Ų135.679%0.7980%0.797SS**  trans52.9155.714562.40000124.1
244T23.8Very low25.3Very low115 Ų115133.3 Ų133.371%0.70680%0.797SS**  trans86.394.5160.960.90000120.7
245D23.3Very low25.1Very low140 Ų140130.2 Ų130.275%0.74980%0.803SS**  76.1116.5110.9-53.9-14.1000123.7
246S23.6Very low24.9Very low116 Ų116128.3 Ų128.381%0.81181%0.809SS**  trans52.9120134.269.80000121.7
247A24.5Very low24.8Very low101 Ų101126 Ų12684%0.83581%0.812SS**  -160.9148.5106.900000110.6
248A23.1Very low24.7Very low101 Ų101130 Ų13084%0.83581%0.811SS**  trans-125.3134.4167.200000109.1
249V25.4Very low24.5Very low151 Ų151135.3 Ų135.392%0.91582%0.824SS**  trans-140.8147.3165.3-175.60000106.9
250D22.9Very low24.4Very low150 Ų150132.1 Ų132.180%0.80282%0.816SS**  trans-116.5-169.3-163.3-159.3-9.8000111.3
251E24Very low24.3Very low164 Ų164127.6 Ų127.677%0.76681%0.81SS**  trans7899.9159.1-63-162.9139.100120
252S24.2Very low24.3Very low123 Ų123125 Ų12586%0.8680%0.804SS**  100.4167.5115.882.30000120.6
253S24.5Very low24.2Very low109 Ų109127.9 Ų127.976%0.76281%0.809SS**  trans-130.9-171.1-162.9-138.60000108.3
254P38.8Very low24.2Very low117 Ų117133.2 Ų133.276%0.7681%0.814SS**  cis-132.8-179.8-13.639.6-23.4000113.4
255A23.9Very low24.2Very low107 Ų107132.3 Ų132.388%0.88481%0.812SS**  trans-144.9137.5154.100000110.3
256A23.2Very low24.6Very low107 Ų107130.8 Ų130.888%0.88481%0.81SS**  trans-125.5142.5-175.300000112.2
257A24.8Very low24.6Very low108 Ų108135.4 Ų135.489%0.89382%0.816SS**  trans-139.9120.6168.800000110.2
258K22.2Very low24.6Very low185 Ų185136.8 Ų136.880%0.80481%0.813SS**  trans-119.7126.7171.1-72.7-179.1177.1179.50109.1
259F23.2Very low24.7Very low198 Ų198137.9 Ų137.987%0.86881%0.81SS**  trans-152.899.3149.8-92.5-80.4000106
260N23.6Very low24.7Very low137 Ų137139.9 Ų139.973%0.73381%0.809SS**  78.8111.385-74.71000112.9
261A21Very low25Very low91 Ų91139.7 Ų139.775%0.75281%0.808SS**  trans-94.4156.716600000110.8
262P23.7Very low25.1Very low130 Ų130137.2 Ų137.284%0.84481%0.806SS**  trans-86.9144.4166.534.2-31.6000111.8
263V21.9Very low25.6Very low123 Ų123137 Ų13775%0.74580%0.8SS**  trans-139121.7174173.70000109.2
264Y23.2Very low25.9Very low225 Ų225140.8 Ų140.888%0.88280%0.803SS**  trans-169.7103.2157.2-91.2-74.6000104.6
265S23.2Very low25.7Very low95 Ų95138.9 Ų138.966%0.66479%0.792SS**  83162.762.192.40000112.8
266P32.4Very low26.1Very low108 Ų108140 Ų14070%0.70178%0.783SS**  -119.4164.3-106.639.3-27000114.6
267F23.1Very low26.7Very low214 Ų214140.3 Ų140.394%0.93977%0.77SS**  trans-137160.9164.6-100.5-79.9000114
268V23.8Very low27Very low129 Ų129138.3 Ų138.378%0.78275%0.753SS**  trans-83.8159.8-1571740000113.5
269T26.4Very low27.6Very low125 Ų125135.1 Ų135.177%0.76774%0.741SS**  trans-58.5145.2176.550.60000115.7
270E23.7Very low28.4Very low193 Ų193131.5 Ų131.590%0.90273%0.725SS**  trans-145.4150.5146.7-117.5175.9-152.800110.8
271N29.7Very low29.1Very low146 Ų146130.8 Ų130.878%0.78172%0.717SS**  trans-101.9135.3-171.8-82.4-42000112.8
272P26.9Very low29.6Very low112 Ų112133.2 Ų133.273%0.72771%0.713SS**  trans-119.441.7162.739.2-29.3000113.8K274P272-K274 VanDerWaalsContact C-N 3.26Å; P272-K274 PolarHBondContact O-N 2.7Å
273T35.1Very low30.1Very low119 Ų119131.6 Ų131.673%0.7370%0.697SS**THydrogen-bonded Turntrans-69.976.3171.532.40000112.2
274K31.1Very low30.8Very low187 Ų187129.1 Ų129.181%0.81368%0.682SS**THydrogen-bonded Turntrans-166.3-12.6163.7-110.9152-170.9173.90117.1P272P272-K274 VanDerWaalsContact C-N 3.26Å; P272-K274 PolarHBondContact O-N 2.7Å
275S34.5Very low31.1Very low78 Ų78124.7 Ų124.755%0.54567%0.667SS.*SBendtrans-81.3-40.1-178.9-159.20000113.5D277 A278 E279S275-D277 PolarHBondContact O-N 3.16Å; S275-A278 WeakPolarHBondContact O-CB 3.42Å; S275-A278 PolarHBondContact O-N 3.21Å; S275-E279 PolarHBondContact O-N 3.25Å
276L32.2Very low31.4Very low129 Ų129122.8 Ų122.868%0.67565%0.654SS**Hα-helixtrans-68.1-31.3-169.6-79.5158.2000114.4A278 F280L276-A278 VanDerWaalsContact C-N 3.28Å; L276-A278 PolarHBondContact O-N 3.3Å; L276-F280 VanDerWaalsContact O-CB 3.23Å; L276-F280 WeakPolarHBondContact O-CB 3.31Å; L276-F280 PolarHBondContact O-N 3.12Å
277D34.3Very low31.4Very low115 Ų115126.1 Ų126.162%0.61566%0.657SS**Hα-helixtrans-68-28.7177.1-70.3-46.3000112.5S275 Q281S275-D277 PolarHBondContact O-N 3.16Å; D277-Q281 WeakPolarHBondContact O-CB 3.37Å; D277-Q281 WeakPolarHBondContact O-CG 3.29Å; D277-Q281 PolarHBondContact O-N 3.22Å
278A31.7Very low31.7Very low65 Ų65124.4 Ų124.454%0.53765%0.649SS.*Hα-helixtrans-71.6-5117600000110.8S275 L276 F280 Q281 E282S275-A278 WeakPolarHBondContact O-CB 3.42Å; S275-A278 PolarHBondContact O-N 3.21Å; L276-A278 VanDerWaalsContact C-N 3.28Å; L276-A278 PolarHBondContact O-N 3.3Å; A278-F280 VanDerWaalsContact C-N 3.3Å; A278-F280 PolarHBondContact O-N 3.02Å; A278-Q281 PolarHBondContact O-N 2.93Å; A278-E282 WeakPolarHBondContact O-CB 3.45Å; A278-E282 PolarHBondContact O-N 3.18Å
279E35.3Very low32Very low118 Ų118123.8 Ų123.855%0.55165%0.646SS**Hα-helixtrans-59.6-40.3175-67.8-179.8117.900111.6S275 E282 L283S275-E279 PolarHBondContact O-N 3.25Å; E279-E282 PolarHBondContact O-N 3.34Å; E279-L283 WeakPolarHBondContact O-CB 3.27Å; E279-L283 PolarHBondContact O-N 3.25Å
280F40.5Very low32Very low122 Ų122126.1 Ų126.154%0.53565%0.648SS.*Hα-helixtrans-67-41.1178.1-172.6-112.8000112.6L276 A278 E282 L283 V284L276-F280 VanDerWaalsContact O-CB 3.23Å; L276-F280 WeakPolarHBondContact O-CB 3.31Å; L276-F280 PolarHBondContact O-N 3.12Å; A278-F280 VanDerWaalsContact C-N 3.3Å; A278-F280 PolarHBondContact O-N 3.02Å; F280-E282 VanDerWaalsContact C-N 3.32Å; F280-E282 PolarHBondContact O-N 3.22Å; F280-L283 PolarHBondContact O-N 3.18Å; F280-V284 HydrophobicContact CE1-CG2 4.28Å; F280-V284 HydrophobicContact CE2-CG2 4.48Å; F280-V284 HydrophobicContact CZ-CG2 4.22Å; F280-V284 VanDerWaalsContact O-CG2 3.32Å; F280-V284 WeakPolarHBondContact O-CG2 3.35Å; F280-V284 PolarHBondContact O-N 3.13Å
281Q36.3Very low32.2Very low122 Ų122123.6 Ų123.657%0.5764%0.641SS**Hα-helixtrans-69.8-27.5173.3-75.3-163.823.700113.4D277 A278 K285D277-Q281 WeakPolarHBondContact O-CB 3.37Å; D277-Q281 WeakPolarHBondContact O-CG 3.29Å; D277-Q281 PolarHBondContact O-N 3.22Å; A278-Q281 PolarHBondContact O-N 2.93Å; Q281-K285 WeakPolarHBondContact O-CD 3.41Å; Q281-K285 VanDerWaalsContact O-CG 3.27Å; Q281-K285 WeakPolarHBondContact O-CG 3.39Å; Q281-K285 PolarHBondContact O-N 3.47Å
282E32.1Very low31.9Very low142 Ų142122.8 Ų122.866%0.66464%0.641SS**Hα-helixtrans-72.8-39.7172.6-167.8155.4-130.300111.5A278 E279 F280 K285 S286A278-E282 WeakPolarHBondContact O-CB 3.45Å; A278-E282 PolarHBondContact O-N 3.18Å; E279-E282 PolarHBondContact O-N 3.34Å; F280-E282 VanDerWaalsContact C-N 3.32Å; F280-E282 PolarHBondContact O-N 3.22Å; E282-K285 CarbonylContact O-C 3.26Å; E282-K285 WeakPolarHBondContact O-CB 3.44Å; E282-K285 PolarHBondContact O-N 3.22Å; E282-K285 VanDerWaalsContact O-N 3.12Å; E282-S286 PolarHBondContact O-N 2.99Å
283L35.3Very low32Very low96 Ų96127.4 Ų127.450%0.50365%0.65SS.*Hα-helixtrans-62.1-42.4171.6-153.485.5000112.1E279 F280 K285 S286 F287E279-L283 WeakPolarHBondContact O-CB 3.27Å; E279-L283 PolarHBondContact O-N 3.25Å; F280-L283 PolarHBondContact O-N 3.18Å; L283-K285 PolarHBondContact O-N 3.28Å; L283-S286 PolarHBondContact O-N 3.08Å; L283-S286 PolarHBondContact O-OG 3.39Å; L283-F287 HydrophobicContact CD2-CE2 4.4Å; L283-F287 HydrophobicContact CG-CE2 4.4Å; L283-F287 WeakPolarHBondContact O-CD2 3.32Å; L283-F287 PolarHBondContact O-N 3.06Å; L283-F287 VanDerWaalsContact O-N 3.16Å
284V35.1Very low31.5Very low71 Ų71130.2 Ų130.243%0.4365%0.652SS.*Hα-helixtrans-66.5-23.3175.5170.30000112.1F280F280-V284 HydrophobicContact CE1-CG2 4.28Å; F280-V284 HydrophobicContact CE2-CG2 4.48Å; F280-V284 HydrophobicContact CZ-CG2 4.22Å; F280-V284 VanDerWaalsContact O-CG2 3.32Å; F280-V284 WeakPolarHBondContact O-CG2 3.35Å; F280-V284 PolarHBondContact O-N 3.13Å
285K30.7Very low31.2Very low133 Ų133127.6 Ų127.658%0.57865%0.647SS**Hα-helixtrans-80.3-37.8170.2-72.9163.7-173.7164.70112.4Q281 E282 L283 F287 K288 V289Q281-K285 WeakPolarHBondContact O-CD 3.41Å; Q281-K285 VanDerWaalsContact O-CG 3.27Å; Q281-K285 WeakPolarHBondContact O-CG 3.39Å; Q281-K285 PolarHBondContact O-N 3.47Å; E282-K285 CarbonylContact O-C 3.26Å; E282-K285 WeakPolarHBondContact O-CB 3.44Å; E282-K285 PolarHBondContact O-N 3.22Å; E282-K285 VanDerWaalsContact O-N 3.12Å; L283-K285 PolarHBondContact O-N 3.28Å; K285-F287 VanDerWaalsContact C-N 3.3Å; K285-F287 PolarHBondContact O-N 2.78Å; K285-K288 WeakPolarHBondContact O-CA 3.46Å; K285-K288 PolarHBondContact O-N 3.18Å; K285-V289 PolarHBondContact O-N 2.97Å
286S29.1Very low30.6Very low54 Ų54133 Ų13338%0.37867%0.666SS.*Hα-helixtrans-63.7-35.6177.772.30000112E282 L283 K288 V289E282-S286 PolarHBondContact O-N 2.99Å; L283-S286 PolarHBondContact O-N 3.08Å; L283-S286 PolarHBondContact O-OG 3.39Å; S286-K288 PolarHBondContact O-N 3.4Å; S286-K288 VanDerWaalsContact O-N 3.15Å; S286-V289 CarbonylContact O-C 3.59Å; S286-V289 PolarHBondContact O-N 3.37Å
287F32.8Very low30.2Very low178 Ų178134.3 Ų134.378%0.78167%0.673SS**THydrogen-bonded Turntrans-63.9-12169.7-85.2-72.5000115.1L283 K285L283-F287 HydrophobicContact CD2-CE2 4.4Å; L283-F287 HydrophobicContact CG-CE2 4.4Å; L283-F287 WeakPolarHBondContact O-CD2 3.32Å; L283-F287 PolarHBondContact O-N 3.06Å; L283-F287 VanDerWaalsContact O-N 3.16Å; K285-F287 VanDerWaalsContact C-N 3.3Å; K285-F287 PolarHBondContact O-N 2.78Å
288K29.8Very low29.8Very low178 Ų178136.6 Ų136.677%0.77469%0.685SS**THydrogen-bonded Turntrans-106.1-11.7175.7-72.9-173.9174.1-178.10114.3K285 S286K285-K288 WeakPolarHBondContact O-CA 3.46Å; K285-K288 PolarHBondContact O-N 3.18Å; S286-K288 PolarHBondContact O-N 3.4Å; S286-K288 VanDerWaalsContact O-N 3.15Å
289V30.2Very low29.5Very low116 Ų116138.7 Ų138.770%0.70369%0.693SS**SBendtrans-143.383.5179.8-171.10000111.3K285 S286K285-V289 PolarHBondContact O-N 2.97Å; S286-V289 CarbonylContact O-C 3.59Å; S286-V289 PolarHBondContact O-N 3.37Å
290Q25.3Very low29.2Very low174 Ų174138.8 Ų138.881%0.81370%0.704SS**  trans-154.260.4155.8-123.7169.246.100114.9
291N27.5Very low28.5Very low140 Ų140138.5 Ų138.575%0.74971%0.714SS**  trans-74.5111.3145.4-103.9-32.8000107.8
292V24.8Very low28Very low130 Ų130138.4 Ų138.479%0.78872%0.724SS**  trans175.5118.6149.2147.90000109.1
293F27.6Very low27.7Very low209 Ų209137.6 Ų137.692%0.91773%0.734SS**  trans-88.2128.9159.6-100.1-96.7000108.9
294K25.2Very low27.2Very low178 Ų178139.2 Ų139.277%0.77475%0.748SS**  trans-167.7138.5147.5-113.6167.1-175.6176.30114.8
295N23.9Very low26.6Very low132 Ų132140.8 Ų140.871%0.70676%0.762SS**  trans51.498.6151.2-59.93.7000119.4
296M22.2Very low26.4Very low190 Ų190142 Ų14294%0.93677%0.773SS**  -117138.1128.1-79.2-165.2170.100109.1
297N23.7Very low26.2Very low157 Ų157147.9 Ų147.984%0.8480%0.795SS**PPolyproline II helixtrans-80.5128.8177.7-67-33.9000109.7
298L25.9Very low25.9Very low163 Ų163147.8 Ų147.885%0.85380%0.797SS**PPolyproline II helixtrans-98.3144.1164.8-78.5164.1000109.6
299P26.7Very low25.8Very low109 Ų109145.4 Ų145.471%0.70880%0.799SS**PPolyproline II helixtrans-69156.4177.830.2-35.2000111.5
300P27.6Very low25.5Very low120 Ų120146.3 Ų146.378%0.77981%0.805SS**PPolyproline II helixtrans-65.3143178.627.8-34.9000111.5
301P27.7Very low25.6Very low117 Ų117143.4 Ų143.476%0.7680%0.804SS**PPolyproline II helixtrans-69.6151.7176.430-35.1000111.5
302P25.4Very low25.5Very low120 Ų120142.8 Ų142.878%0.77981%0.81SS**PPolyproline II helixtrans-67.8136.1178.728.8-34.9000111.5V304P302-V304 PolarHBondContact O-N 3.21Å
303S24.4Very low25.4Very low124 Ų124141.5 Ų141.587%0.86781%0.813SS**  trans-72115.2173.3550000111
304V25.1Very low25.3Very low131 Ų131137.6 Ų137.679%0.79481%0.812SS**PPolyproline II helixtrans-100.1128.3165.5-179.10000108.3P302P302-V304 PolarHBondContact O-N 3.21Å
305S23.4Very low25.2Very low104 Ų104133.4 Ų133.473%0.72781%0.81SS**PPolyproline II helixtrans-69140.5-179.943.40000112.1
306I25.9Very low25.2Very low159 Ų159132.7 Ų132.782%0.81582%0.816SS**PPolyproline II helixtrans-87.5120.4172.7-59.3172.5000108.2
307E24.3Very low25.3Very low177 Ų177129.8 Ų129.883%0.82780%0.804SS**PPolyproline II helixtrans-103.6134.3160.4-68.3-171.7145.400108.9
308E27.5Very low25.4Very low175 Ų175130.4 Ų130.482%0.81880%0.796SS**PPolyproline II helixtrans-84.8129.5178.4-63.9-174.3134.400111.2
309P27.5Very low25.2Very low128 Ų128132.1 Ų132.183%0.83179%0.791SS**PPolyproline II helixtrans-81.3119.7165.9-5.323.1000110.5
310V23.8Very low25.1Very low136 Ų136134.9 Ų134.982%0.82479%0.794SS**PPolyproline II helixtrans-68.4151.5176.2178.80000111.3
311S26.5Very low24.9Very low112 Ų112138.6 Ų138.678%0.78380%0.801SS**PPolyproline II helixtrans-71.114617856.10000113.9
312S25.6Very low24.7Very low127 Ų127139.4 Ų139.489%0.88880%0.798SS**  trans-160.2161.9151.952.50000109.8
313A24.3Very low24.6Very low103 Ų103141.2 Ų141.285%0.85180%0.801SS**  trans-140.5143.6-17700000111.3
314S24.6Very low24.7Very low127 Ų127140.3 Ų140.389%0.88879%0.79SS**  trans-160.8153.8164.550.70000110.2
315A23.7Very low24.7Very low90 Ų90141 Ų14174%0.74480%0.795SS**  trans-115.8-164179.600000111.1
316S23.8Very low24.8Very low117 Ų117141.1 Ų141.182%0.81880%0.796SS**  trans77.1147.8177.580.30000116.2
317D24.5Very low24.7Very low129 Ų129141.9 Ų141.969%0.6980%0.8SS**  cis-163.1170.4-34.3-145.7-27.5000110.9
318Y24.5Very low24.8Very low171 Ų171140.6 Ų140.667%0.67180%0.799SS**  trans68.1121.9155.7-72.1-52.1000124.6
319R22.7Very low24.6Very low199 Ų199137.2 Ų137.275%0.75180%0.795SS**  trans80.6109.1130.1-71.9170-167.4-158.21.1122
320H24.4Very low24.5Very low167 Ų167139 Ų13977%0.77380%0.796SS**  35.6118126.1-72-69.4000120.1
321Q23.6Very low24.5Very low198 Ų198143.9 Ų143.993%0.92580%0.799SS**  -139.6161.3106.1-127167.1-7.600110.4
322I23.4Very low24.5Very low133 Ų133144.1 Ų144.168%0.68280%0.796SS**  trans-105.6134.5178.7-63.3168.3000107
323D23.4Very low24.4Very low159 Ų159144.5 Ų144.585%0.8579%0.793SS**  trans-145150.3152.2-129.9-34.5000111.1
324T25.8Very low24.4Very low105 Ų105149 Ų14964%0.64479%0.794SS**  trans-112.5124-167.852.80000112.3
325T25.2Very low24.5Very low145 Ų145151 Ų15189%0.8979%0.794SS**  trans169.5171.414333.20000111.6
326S25.6Very low24.4Very low107 Ų107151.3 Ų151.375%0.74879%0.791SS**  trans74.3120.5-178.5-161.60000116
327L24.4Very low24.5Very low174 Ų174152.4 Ų152.491%0.91180%0.795SS**  trans-12327179-122.9172.3000111.5
328D25.9Very low24.4Very low151 Ų151150.1 Ų150.181%0.80780%0.795SS**  trans-123.477.7-173.7-82.2-61.9000112.6
329S23.6Very low24.7Very low104 Ų104147.3 Ų147.373%0.72780%0.8SS**  trans-159.657.1165.766.50000114.9R331S329-R331 PolarHBondContact O-N 3.2Å; S329-R331 VanDerWaalsContact O-N 3.09Å
330I25.2Very low25Very low166 Ų166145.3 Ų145.385%0.85180%0.803SS**  trans-75.194.6162.2-59179.2000108T332I330-T332 PolarHBondContact O-N 2.65Å
331R23.2Very low25.3Very low237 Ų237140.5 Ų140.589%0.89479%0.792SS**  trans-74.6107171.4-74.6-174.9174.6-178.7-0.6109.7S329S329-R331 PolarHBondContact O-N 3.2Å; S329-R331 VanDerWaalsContact O-N 3.09Å
332T26.4Very low26.1Very low117 Ų117133.6 Ų133.672%0.71876%0.764SS**PPolyproline II helixtrans-66.8134166.740.90000110.2I330I330-T332 PolarHBondContact O-N 2.65Å
333V24.2Very low26.7Very low136 Ų136132.2 Ų132.282%0.82476%0.761SS**PPolyproline II helixtrans-73.8136.4168.6176.90000107.6D335V333-D335 PolarHBondContact O-N 3.23Å
334K24.4Very low27.6Very low198 Ų198126 Ų12686%0.86173%0.729SS**PPolyproline II helixtrans-67.3127.7179.8-73.6-176.3173.7-177.20110.9
335D25.4Very low28.7Very low168 Ų168124.2 Ų124.290%0.89871%0.712SS**PPolyproline II helixtrans-63.3141.4167-71.3-59.3000111.4V333V333-D335 PolarHBondContact O-N 3.23Å
336S21.6Very low29.4Very low97 Ų97123.7 Ų123.768%0.67872%0.715SS**  trans-144.3141.3168.9-177.10000106.6A338S336-A338 PolarHBondContact O-N 3.03Å
337P26.7Very low30.4Very low139 Ų139120.2 Ų120.290%0.90369%0.693SS**  trans-75.965.5-169.831.4-36.9000113
338A22.7Very low32.1Very low82 Ų82119 Ų11968%0.67869%0.692SS**  trans-87.4149.6167.500000110.4S336 L340S336-A338 PolarHBondContact O-N 3.03Å; A338-L340 PolarHBondContact O-N 3.21Å
339S30.1Very low34.3Very low111 Ų111113 Ų11378%0.77667%0.666SS**  trans-66.8125.1-17645.80000112.2A341S339-A341 PolarHBondContact O-N 3.27Å
340L29.2Very low37.1Very low158 Ų158111.6 Ų111.683%0.82765%0.649SS**  trans-73.348.8171-73.1169.8000112.2A338 V342A338-L340 PolarHBondContact O-N 3.21Å; L340-V342 VanDerWaalsContact C-N 3.27Å; L340-V342 PolarHBondContact O-N 3.2Å
341A30.5Very low40Very low65 Ų65104.6 Ų104.654%0.53761%0.614SS.*  trans-73.484.5166.800000108.5S339 V343S339-A341 PolarHBondContact O-N 3.27Å; A341-V343 PolarHBondContact O-N 3.21Å
342V40Very low42.9Very low54 Ų5494.8 Ų94.833%0.32758%0.577SS.*  trans-55.3109.7174.5-179.60000108.6L340 P344 T579L340-V342 VanDerWaalsContact C-N 3.27Å; L340-V342 PolarHBondContact O-N 3.2Å; V342-P344 WeakPolarHBondContact O-CD 3.31Å; V342-T579 HydrophobicContact CG2-CG2 3.84Å
343V36.2Very low45.6Very low103 Ų10392 Ų9262%0.62456%0.558SS**  trans-68.8111.2171.1179.90000107A341A341-V343 PolarHBondContact O-N 3.21Å
344P42.2Very low48.5Very low28 Ų2889.1 Ų89.118%0.18254%0.538CS..  trans-73.3150.4-179.7-320.6000109.2V342 S346 P733V342-P344 WeakPolarHBondContact O-CD 3.31Å; P344-S346 PolarHBondContact O-N 3.1Å; P344-P733 HydrophobicContact CB-CB 3.65Å; P344-P733 HydrophobicContact CG-CB 3.69Å
345F50Low51.4Low68 Ų6885.3 Ų85.330%0.29852%0.519SS..  trans-32.4125.1-167.4-62.7-83.1000116.2A347 W360 L587F345-A347 PolarHBondContact O-N 2.96Å; F345-W360 HydrophobicContact CB-CH2 4.5Å; F345-W360 HydrophobicContact CB-CZ2 4.19Å; F345-W360 HydrophobicContact CD2-CH2 4.2Å; F345-W360 HydrophobicContact CD2-CZ2 4.29Å; F345-W360 HydrophobicContact CG-CH2 4.31Å; F345-W360 HydrophobicContact CG-CZ2 4.4Å; F345-L587 HydrophobicContact CE2-CD1 4.09Å; F345-L587 HydrophobicContact CZ-CB 4.37Å; F345-L587 HydrophobicContact CZ-CD1 3.7Å
346S39.1Very low54.2Low135 Ų13579.1 Ų79.194%0.94450%0.496SS*.SBendtrans-66.85.6175.654.40000115.1P344P344-S346 PolarHBondContact O-N 3.1Å
347A46.3Very low57.5Low34 Ų3474.5 Ų74.528%0.28146%0.463SS..SBendtrans-105.3135.6179.300000110.7F345 G349 R362F345-A347 PolarHBondContact O-N 2.96Å; A347-G349 PolarHBondContact O-N 3.18Å; A347-G349 VanDerWaalsContact O-N 3.13Å; A347-R362 VanDerWaalsContact CB-NH1 3.31Å
348V60.7Low60.6Low149 Ų14968 Ų6890%0.90342%0.421SS*.  trans-59.3117.1178-177.10000109.9
349G71.8Confident63.9Low24 Ų2464.1 Ų64.125%0.24739%0.388CS..  trans-135.8159.4177.700000111A347A347-G349 PolarHBondContact O-N 3.18Å; A347-G349 VanDerWaalsContact O-N 3.13Å
350I83.6Confident66.9Low75 Ų7559.9 Ų59.939%0.38536%0.355SS..EExtended strand (participates in β ladder)trans-100.2123-173-51.7173.4000109.7Y352 W360 S361 A364I350-Y352 HydrophobicContact CB-CE2 4.18Å; I350-Y352 HydrophobicContact CG2-CE1 3.86Å; I350-Y352 HydrophobicContact CG2-CE2 4.03Å; I350-Y352 WeakPolarHBondContact CG2-OH 3.34Å; I350-Y352 WeakPolarHBondContact O-CE2 3.34Å; I350-W360 WeakPolarHBondContact O-CA 3.45Å; I350-S361 PolarHBondContact N-O 2.87Å; I350-S361 PolarHBondContact O-N 3.41Å; I350-A364 HydrophobicContact CD1-CB 4.18Å
351T85Confident69.8Low18 Ų1852.3 Ų52.311%0.1132%0.316CS..EExtended strand (participates in β ladder)trans-101.1117.9176.6-54.20000112.4L358 G359 L730 K731T351-L358 HydrophobicContact CG2-CD1 3.58Å; T351-L358 HydrophobicContact CG2-CG 4.36Å; T351-G359 CarbonylContact C-O 3.55Å; T351-G359 VanDerWaalsContact CA-O 3.29Å; T351-G359 WeakPolarHBondContact CA-O 3.21Å; T351-L730 WeakPolarHBondContact CG2-O 3.23Å; T351-L730 PolarHBondContact OG1-O 2.7Å; T351-K731 HydrophobicContact CG2-CG 3.96Å; T351-K731 WeakPolarHBondContact O-CE 3.4Å; T351-K731 PolarHBondContact O-NZ 3.16Å; T351-K731 VanDerWaalsContact O-NZ 3.15Å
352Y85.7Confident72.3Confident31 Ų3154.4 Ų54.412%0.12231%0.31CS..EExtended strand (participates in β ladder)trans-93.1144.9174.8-53-79.5000110.8I350 L358 G359 H363 A364 V365 F401I350-Y352 HydrophobicContact CB-CE2 4.18Å; I350-Y352 HydrophobicContact CG2-CE1 3.86Å; I350-Y352 HydrophobicContact CG2-CE2 4.03Å; I350-Y352 WeakPolarHBondContact CG2-OH 3.34Å; I350-Y352 WeakPolarHBondContact O-CE2 3.34Å; Y352-L358 WeakPolarHBondContact O-CA 3.39Å; Y352-G359 PolarHBondContact N-O 2.84Å; Y352-G359 PolarHBondContact O-N 2.82Å; Y352-H363 PolarHBondContact OH-O 2.93Å; Y352-A364 WeakPolarHBondContact OH-CA 3.43Å; Y352-V365 WeakPolarHBondContact CE1-O 3.48Å; Y352-V365 HydrophobicContact CE2-CB 4.29Å; Y352-V365 PolarHBondContact OH-N 2.82Å; Y352-F401 HydrophobicContact CD1-CE1 4.24Å; Y352-F401 HydrophobicContact CG-CD1 4.43Å; Y352-F401 HydrophobicContact CG-CE1 4.02Å
353N82.9Confident74.5Confident59 Ų5954.3 Ų54.332%0.31631%0.306SS..  trans-145.548.1176.169.1-35.6000112.1V357 L358 Y727 K731N353-V357 CarbonylContact C-O 3.52Å; N353-V357 WeakPolarHBondContact CA-O 3.47Å; N353-L358 HydrophobicContact CB-CD1 4.47Å; N353-Y727 HydrophobicContact CB-CD2 3.99Å; N353-Y727 HydrophobicContact CB-CG 4.33Å; N353-K731 VanDerWaalsContact CG-CE 3.44Å; N353-K731 WeakPolarHBondContact OD1-CE 3.41Å; N353-K731 PolarHBondContact OD1-NZ 2.88Å
354N83.8Confident76.9Confident76 Ų7653.4 Ų53.441%0.40631%0.309SS..  trans-110.7152.9-175.6-55.416.5000110.6G356 V357 F401N354-G356 PolarHBondContact O-N 3.32Å; N354-V357 PolarHBondContact N-O 3.39Å; N354-V357 PolarHBondContact O-N 3.23Å; N354-F401 HydrophobicContact CB-CZ 4.12Å
355Y85.1Confident79.2Confident117 Ų11752.5 Ų52.546%0.45930%0.303SS..THydrogen-bonded Turntrans59.421.3178.1-42.4-67000115.5V357 P367 A397 R400 F401Y355-V357 VanDerWaalsContact C-N 3.35Å; Y355-P367 HydrophobicContact CE2-CB 4.08Å; Y355-P367 HydrophobicContact CE2-CG 4.04Å; Y355-A397 WeakPolarHBondContact O-CB 3.32Å; Y355-R400 VanDerWaalsContact CE1-NH1 3.27Å; Y355-F401 HydrophobicContact CD2-CE2 4.14Å; Y355-F401 HydrophobicContact CD2-CZ 4.19Å
356G85.1Confident81.1Confident39 Ų3955 Ų5540%0.40232%0.324SS..THydrogen-bonded Turntrans90.1-10.6-178.500000114.9N354 Y727N354-G356 PolarHBondContact O-N 3.32Å; G356-Y727 VanDerWaalsContact O-CE2 3.31Å; G356-Y727 WeakPolarHBondContact O-CE2 3.32Å; G356-Y727 PolarHBondContact O-OH 3.05Å
357V90.4Very high83.6Confident0 Ų050.1 Ų50.10%029%0.289CS..  trans-95.9133.8-178.7165.10000110.8N353 N354 Y355 A397 V398 F401 L596 F597 D598N353-V357 CarbonylContact C-O 3.52Å; N353-V357 WeakPolarHBondContact CA-O 3.47Å; N354-V357 PolarHBondContact N-O 3.39Å; N354-V357 PolarHBondContact O-N 3.23Å; Y355-V357 VanDerWaalsContact C-N 3.35Å; V357-A397 HydrophobicContact CG2-CB 3.52Å; V357-V398 HydrophobicContact CG1-CG1 4.28Å; V357-V398 HydrophobicContact CG2-CG1 3.62Å; V357-F401 HydrophobicContact CB-CE2 4.14Å; V357-F401 HydrophobicContact CG1-CD2 4.14Å; V357-F401 HydrophobicContact CG1-CE2 4.09Å; V357-L596 HydrophobicContact CG1-CB 4.37Å; V357-L596 HydrophobicContact CG1-CD2 4.01Å; V357-F597 VanDerWaalsContact CA-O 3.32Å; V357-F597 WeakPolarHBondContact CA-O 3.48Å; V357-D598 HydrophobicContact CG2-CB 4.46Å
358L92.5Very high85.7Confident2 Ų248.6 Ų48.61%0.0128%0.276CS..EExtended strand (participates in β ladder)trans-85.3129.1160.5-174.380.8000108.5T351 Y352 N353 L596 F597 A603 Y727 L730T351-L358 HydrophobicContact CG2-CD1 3.58Å; T351-L358 HydrophobicContact CG2-CG 4.36Å; Y352-L358 WeakPolarHBondContact O-CA 3.39Å; N353-L358 HydrophobicContact CB-CD1 4.47Å; L358-L596 WeakPolarHBondContact O-CA 3.42Å; L358-F597 HydrophobicContact CB-CB 4.33Å; L358-F597 HydrophobicContact CD2-CD2 4.13Å; L358-F597 PolarHBondContact N-O 2.89Å; L358-F597 PolarHBondContact O-N 3.45Å; L358-A603 HydrophobicContact CB-CB 4.46Å; L358-A603 HydrophobicContact CD2-CB 3.9Å; L358-Y727 HydrophobicContact CB-CD1 3.98Å; L358-Y727 HydrophobicContact CB-CD2 4.48Å; L358-Y727 HydrophobicContact CB-CE1 3.72Å; L358-Y727 HydrophobicContact CB-CE2 4.25Å; L358-Y727 HydrophobicContact CB-CG 4.34Å; L358-Y727 HydrophobicContact CD1-CD1 3.95Å; L358-Y727 HydrophobicContact CD1-CG 3.94Å; L358-Y727 HydrophobicContact CD2-CD1 4.49Å; L358-Y727 HydrophobicContact CG-CD1 4.38Å; L358-L730 HydrophobicContact CD1-CB 4.2Å; L358-L730 HydrophobicContact CD1-CD1 4.29Å; L358-L730 HydrophobicContact CD2-CB 4.26Å; L358-L730 HydrophobicContact CD2-CD1 3.49Å; L358-L730 VanDerWaalsContact CD2-CD1 3.49Å; L358-L730 HydrophobicContact CD2-CG 4.45Å
359G92.5Very high87Confident0 Ų046.7 Ų46.70%025%0.253CS..EExtended strand (participates in β ladder)trans-123.9146.1172.100000111.6T351 Y352 V595T351-G359 CarbonylContact C-O 3.55Å; T351-G359 VanDerWaalsContact CA-O 3.29Å; T351-G359 WeakPolarHBondContact CA-O 3.21Å; Y352-G359 PolarHBondContact N-O 2.84Å; Y352-G359 PolarHBondContact O-N 2.82Å; G359-V595 CarbonylContact C-O 3.49Å; G359-V595 VanDerWaalsContact CA-O 3.27Å; G359-V595 WeakPolarHBondContact CA-O 3.4Å
360W91.5Very high87.7Confident22 Ų2245.9 Ų45.98%0.08325%0.245CC..EExtended strand (participates in β ladder)trans-134.2133.8170.4-179.890.7000110.3F345 I350 R362 V593 L594 V595F345-W360 HydrophobicContact CB-CH2 4.5Å; F345-W360 HydrophobicContact CB-CZ2 4.19Å; F345-W360 HydrophobicContact CD2-CH2 4.2Å; F345-W360 HydrophobicContact CD2-CZ2 4.29Å; F345-W360 HydrophobicContact CG-CH2 4.31Å; F345-W360 HydrophobicContact CG-CZ2 4.4Å; I350-W360 WeakPolarHBondContact O-CA 3.45Å; W360-R362 HydrophobicContact CH2-CG 4.15Å; W360-V593 HydrophobicContact CZ3-CG1 3.97Å; W360-L594 CarbonylContact O-C 3.5Å; W360-L594 WeakPolarHBondContact O-CA 3.36Å; W360-V595 HydrophobicContact CE3-CG2 4.25Å; W360-V595 PolarHBondContact N-O 2.95Å; W360-V595 PolarHBondContact O-N 3.19Å
361S90.5Very high87.7Confident0 Ų042.8 Ų42.80%023%0.229CC..EExtended strand (participates in β ladder)trans-153.2149.7178.5172.30000110.6I350 H363I350-S361 PolarHBondContact N-O 2.87Å; I350-S361 PolarHBondContact O-N 3.41Å; S361-H363 WeakPolarHBondContact CB-O 3.31Å; S361-H363 PolarHBondContact O-N 3.4Å; S361-H363 PolarHBondContact OG-N 3.41Å; S361-H363 PolarHBondContact OG-O 2.89Å
362R83.8Confident87.6Confident108 Ų10847.3 Ų47.341%0.40826%0.257SS..SBendtrans-67.6-25.8167-60.5-176.6-169.8-92.60.9112.6A347 W360 P591A347-R362 VanDerWaalsContact CB-NH1 3.31Å; W360-R362 HydrophobicContact CH2-CG 4.15Å; R362-P591 WeakPolarHBondContact CD-O 3.38Å; R362-P591 PolarHBondContact NE-O 3.39Å
363H84.7Confident87.5Confident53 Ų5350.6 Ų50.625%0.24527%0.274CS..SBendtrans-106.5148-173.1-64.7-93.4000111.7Y352 S361 V365 K410 D592Y352-H363 PolarHBondContact OH-O 2.93Å; S361-H363 WeakPolarHBondContact CB-O 3.31Å; S361-H363 PolarHBondContact O-N 3.4Å; S361-H363 PolarHBondContact OG-N 3.41Å; S361-H363 PolarHBondContact OG-O 2.89Å; H363-V365 PolarHBondContact O-N 3.27Å; H363-K410 PolarHBondContact CE1-NZ 3.46Å; H363-K410 PolarHBondContact ND1-NZ 2.91Å; H363-D592 IonicContact CD2-OD1 2.84Å; H363-D592 IonicContact CE1-OD1 3.71Å; H363-D592 IonicContact NE2-OD1 2.98Å; H363-D592 PolarHBondContact NE2-OD1 3.06Å
364A87.8Confident87.6Confident83 Ų8347.8 Ų47.869%0.68626%0.259SS*.  trans-64.4116.6172.100000111.4I350 Y352I350-A364 HydrophobicContact CD1-CB 4.18Å; Y352-A364 WeakPolarHBondContact OH-CA 3.43Å
365V89.4Confident86.9Confident10 Ų1047.6 Ų47.66%0.06126%0.261CS..  trans-107.4119.5173.1-177.60000109.5Y352 H363 F401 P404 H405 L594Y352-V365 WeakPolarHBondContact CE1-O 3.48Å; Y352-V365 HydrophobicContact CE2-CB 4.29Å; Y352-V365 PolarHBondContact OH-N 2.82Å; H363-V365 PolarHBondContact O-N 3.27Å; V365-F401 HydrophobicContact CG1-CB 4.25Å; V365-F401 HydrophobicContact CG1-CD1 4.33Å; V365-F401 WeakPolarHBondContact CG1-O 3.32Å; V365-P404 HydrophobicContact CG1-CG 4.4Å; V365-H405 HydrophobicContact CG1-CB 4.45Å; V365-H405 HydrophobicContact CG2-CB 4.25Å; V365-L594 HydrophobicContact CG1-CD2 4.49Å; V365-L594 HydrophobicContact CG2-CD1 4.26Å; V365-L594 HydrophobicContact CG2-CD2 4.36Å
366V89.9Confident86.9Confident120 Ų12045.4 Ų45.473%0.72726%0.258SS*.PPolyproline II helixtrans-92.1119171.2-1800000108.1P404V366-P404 VanDerWaalsContact O-CG 3.29Å; V366-P404 WeakPolarHBondContact O-CG 3.5Å
367P91.8Very high87.1Confident32 Ų3243.6 Ų43.621%0.20824%0.239CC..PPolyproline II helixtrans-78.2132.5-176.228.9-33.1000112.6Y355 R400 F401Y355-P367 HydrophobicContact CE2-CB 4.08Å; Y355-P367 HydrophobicContact CE2-CG 4.04Å; P367-R400 CarbonylContact C-O 3.57Å; P367-R400 WeakPolarHBondContact CA-O 3.49Å; P367-R400 HydrophobicContact CB-CB 4.12Å; P367-F401 HydrophobicContact CB-CD1 3.85Å; P367-F401 HydrophobicContact CB-CE1 3.81Å; P367-F401 HydrophobicContact CB-CG 4.33Å; P367-F401 HydrophobicContact CB-CZ 4.28Å; P367-F401 HydrophobicContact CG-CD1 4.42Å; P367-F401 HydrophobicContact CG-CE1 4Å
368C91.5Very high87.1Confident3 Ų345 Ų452%0.0225%0.249CC..PPolyproline II helixtrans-82.7140.9172.863.10000111.7E373 R400C368-E373 HydrophobicContact CB-CB 3.66Å; C368-R400 PolarHBondContact N-O 2.91Å; C368-R400 WeakPolarHBondContact O-CA 3.41Å; C368-R400 VanDerWaalsContact O-CB 3.24Å; C368-R400 WeakPolarHBondContact O-CB 3.38Å; C368-R400 VanDerWaalsContact O-CG 3.23Å; C368-R400 WeakPolarHBondContact O-CG 3.47Å; C368-R400 PolarHBondContact SG-O 2.75Å; C368-R400 VanDerWaalsContact SG-O 3.39Å
369Y88.2Confident87Confident108 Ų10850 Ų5042%0.42428%0.28SS..SBendtrans-80.7-33.7175.5-171.3-91.4000112.9E373 R394 A395 R400Y369-E373 VanDerWaalsContact CB-OE2 3.31Å; Y369-E373 WeakPolarHBondContact CB-OE2 3.27Å; Y369-E373 PolarHBondContact N-OE2 3.48Å; Y369-R394 HydrophobicContact CD1-CB 4.34Å; Y369-R394 HydrophobicContact CE1-CB 3.84Å; Y369-A395 WeakPolarHBondContact O-CB 3.34Å; Y369-A395 PolarHBondContact O-N 3.38Å; Y369-R400 PolarHBondContact O-NH2 3.05Å
370G85.8Confident86.9Confident8 Ų852.9 Ų52.98%0.08229%0.294CS..SBendtrans-150.2179.5-18000000114T372 E373G370-T372 PolarHBondContact O-N 3.21Å; G370-T372 VanDerWaalsContact O-N 3.16Å; G370-E373 PolarHBondContact O-N 3.09Å; G370-E373 VanDerWaalsContact O-N 3.1Å
371L83.8Confident86.9Confident9 Ų951.9 Ų51.95%0.04729%0.29CS..THydrogen-bonded Turntrans-61.7-21.3-176.9-77.7169.7000114.3E373 R382 M385 Q386 A391 W403L371-E373 VanDerWaalsContact C-N 3.33Å; L371-R382 HydrophobicContact CB-CG 4.35Å; L371-R382 VanDerWaalsContact O-CD 3.31Å; L371-R382 WeakPolarHBondContact O-CD 3.4Å; L371-R382 PolarHBondContact O-NE 3.12Å; L371-R382 PolarHBondContact O-NH1 2.93Å; L371-M385 HydrophobicContact CD1-CB 4.05Å; L371-M385 HydrophobicContact CD2-CE 3.62Å; L371-M385 HydrophobicContact CD2-SD 3.68Å; L371-Q386 HydrophobicContact CD1-CG 4.21Å; L371-A391 HydrophobicContact CD1-CB 4.11Å; L371-A391 HydrophobicContact CG-CB 4.12Å; L371-W403 HydrophobicContact CD2-CE3 4.09Å; L371-W403 HydrophobicContact CD2-CH2 3.53Å; L371-W403 HydrophobicContact CD2-CZ2 4.21Å; L371-W403 HydrophobicContact CD2-CZ3 3.45Å; L371-W403 VanDerWaalsContact CD2-CZ3 3.45Å; L371-W403 HydrophobicContact CG-CH2 3.98Å; L371-W403 HydrophobicContact CG-CZ3 3.85Å
372T82.6Confident87Confident113 Ų11354.1 Ų54.169%0.69330%0.299SS*.THydrogen-bonded Turntrans-65.5-33.7174.238.10000112.9G370 R382G370-T372 PolarHBondContact O-N 3.21Å; G370-T372 VanDerWaalsContact O-N 3.16Å; T372-R382 VanDerWaalsContact C-NH1 3.3Å; T372-R382 PolarHBondContact O-NH1 3.43Å
373E84.2Confident87.2Confident101 Ų10156.1 Ų56.147%0.47231%0.306SS..THydrogen-bonded Turntrans-97.3-6.2-171.9-68.1152.6-118.500113.7C368 Y369 G370 L371 P375C368-E373 HydrophobicContact CB-CB 3.66Å; Y369-E373 VanDerWaalsContact CB-OE2 3.31Å; Y369-E373 WeakPolarHBondContact CB-OE2 3.27Å; Y369-E373 PolarHBondContact N-OE2 3.48Å; G370-E373 PolarHBondContact O-N 3.09Å; G370-E373 VanDerWaalsContact O-N 3.1Å; L371-E373 VanDerWaalsContact C-N 3.33Å; E373-P375 WeakPolarHBondContact O-CD 3.41Å
374A84Confident87.5Confident0 Ų053.6 Ų53.60%030%0.295CS..  trans-75.4115.617000000108.6I377 R382 W403A374-I377 HydrophobicContact CB-CD1 3.74Å; A374-I377 HydrophobicContact CB-CG1 4.06Å; A374-R382 VanDerWaalsContact O-CZ 3.28Å; A374-R382 PolarHBondContact O-NH1 3.23Å; A374-R382 PolarHBondContact O-NH2 2.6Å; A374-W403 HydrophobicContact CB-CB 4.16Å; A374-W403 HydrophobicContact CB-CE3 4.34Å
375P70.7Confident87.7Confident71 Ų7149.6 Ų49.646%0.46126%0.262SS..SBendtrans-65.4-60.6-164.921.2-30.8000112.8E373 I377 R382E373-P375 WeakPolarHBondContact O-CD 3.41Å; P375-I377 PolarHBondContact O-N 3.45Å; P375-R382 PolarHBondContact O-NH2 2.91Å; P375-R382 VanDerWaalsContact O-NH2 3.08Å
376D84.6Confident87.7Confident71 Ų7154 Ų5438%0.3828%0.282SS..SBendtrans-93.57.9-165.3-24.3-76.8000114.5S407 Q432D376-S407 WeakPolarHBondContact OD2-CB 3.39Å; D376-S407 PolarHBondContact OD2-OG 3.1Å; D376-Q432 PolarHBondContact O-NE2 3.12Å; D376-Q432 PolarHBondContact O-OE1 3.39Å
377I88.8Confident87.6Confident2 Ų253.9 Ų53.91%0.0127%0.273CS..SBendtrans-77.3125.9171.9-56.7-174.6000108.6A374 P375 I381 R382 W403A374-I377 HydrophobicContact CB-CD1 3.74Å; A374-I377 HydrophobicContact CB-CG1 4.06Å; P375-I377 PolarHBondContact O-N 3.45Å; I377-I381 HydrophobicContact CG2-CB 4.05Å; I377-I381 HydrophobicContact CG2-CG2 3.54Å; I377-R382 HydrophobicContact CG2-CG 3.95Å; I377-R382 PolarHBondContact O-NE 2.95Å; I377-R382 PolarHBondContact O-NH2 2.89Å; I377-W403 HydrophobicContact CD1-CB 4.11Å; I377-W403 HydrophobicContact CD1-CD2 4.24Å; I377-W403 HydrophobicContact CD1-CG 3.99Å
378S90.3Very high87.4Confident29 Ų2955 Ų5520%0.20328%0.276CS..  trans-68.3153.2-175.880.60000112.8I380 I381 R382S378-I380 PolarHBondContact O-N 3.4Å; S378-I381 PolarHBondContact O-N 3.44Å; S378-I381 WeakPolarHBondContact OG-CG1 3.47Å; S378-I381 PolarHBondContact OG-N 3.16Å; S378-I381 VanDerWaalsContact OG-N 3.16Å; S378-R382 VanDerWaalsContact O-CG 3.31Å; S378-R382 WeakPolarHBondContact O-CG 3.46Å; S378-R382 PolarHBondContact O-N 3.19Å
379T89.8Confident87.2Confident108 Ų10856.2 Ų56.266%0.66329%0.29SS*.Hα-helixtrans-60.3-30.9176.950.40000112.7R383T379-R383 PolarHBondContact O-N 3.21Å; T379-R383 VanDerWaalsContact O-N 3.09Å
380I91.2Very high87.1Confident60 Ų6051.9 Ų51.931%0.30827%0.274SS..Hα-helixtrans-65.6-49.9174.4-60.8173.5000110.4S378 R382 R383 A384 L473 L474S378-I380 PolarHBondContact O-N 3.4Å; I380-R382 PolarHBondContact O-N 3.41Å; I380-R383 WeakPolarHBondContact O-CB 3.42Å; I380-R383 PolarHBondContact O-N 2.91Å; I380-R383 VanDerWaalsContact O-N 3.13Å; I380-A384 PolarHBondContact O-N 3.15Å; I380-L473 VanDerWaalsContact CG2-C 3.47Å; I380-L473 HydrophobicContact CG2-CB 3.66Å; I380-L473 WeakPolarHBondContact CG2-O 3.43Å; I380-L474 HydrophobicContact CB-CD2 4.13Å; I380-L474 HydrophobicContact CD1-CD2 4.32Å; I380-L474 HydrophobicContact CG2-CD2 3.87Å; I380-L474 HydrophobicContact CG2-CG 4.39Å
381I92.4Very high87Confident0 Ų052.5 Ų52.50%028%0.278CS..Hα-helixtrans-65.3-40.2178.5-71.5-76.3000111I377 S378 R383 A384 M385 P428 Q432 L470 L474I377-I381 HydrophobicContact CG2-CB 4.05Å; I377-I381 HydrophobicContact CG2-CG2 3.54Å; S378-I381 PolarHBondContact O-N 3.44Å; S378-I381 WeakPolarHBondContact OG-CG1 3.47Å; S378-I381 PolarHBondContact OG-N 3.16Å; S378-I381 VanDerWaalsContact OG-N 3.16Å; I381-R383 VanDerWaalsContact C-N 3.26Å; I381-R383 PolarHBondContact O-N 3.26Å; I381-A384 PolarHBondContact O-N 3.2Å; I381-M385 HydrophobicContact CG2-CG 4.38Å; I381-M385 HydrophobicContact CG2-SD 3.99Å; I381-M385 WeakPolarHBondContact O-CB 2.96Å; I381-M385 VanDerWaalsContact O-CG 3.24Å; I381-M385 WeakPolarHBondContact O-CG 3.34Å; I381-M385 PolarHBondContact O-N 3.19Å; I381-P428 HydrophobicContact CG2-CB 3.67Å; I381-Q432 HydrophobicContact CD1-CB 4.47Å; I381-Q432 HydrophobicContact CG1-CB 4.08Å; I381-Q432 HydrophobicContact CG1-CG 4.28Å; I381-L470 HydrophobicContact CD1-CB 3.98Å; I381-L470 HydrophobicContact CD1-CD2 4.02Å; I381-L470 WeakPolarHBondContact CD1-O 3.36Å; I381-L470 HydrophobicContact CG2-CD2 4.25Å; I381-L474 HydrophobicContact CD1-CD1 4.17Å; I381-L474 HydrophobicContact CD1-CG 4.39Å; I381-L474 HydrophobicContact CG1-CD2 4.23Å
382R90.8Very high86.6Confident47 Ų4761.3 Ų61.318%0.17731%0.311CS..Hα-helixtrans-56.3-40.3172.2-66.1173.5-150.7-146.512.6111.5L371 T372 A374 P375 I377 S378 I380 Q386L371-R382 HydrophobicContact CB-CG 4.35Å; L371-R382 VanDerWaalsContact O-CD 3.31Å; L371-R382 WeakPolarHBondContact O-CD 3.4Å; L371-R382 PolarHBondContact O-NE 3.12Å; L371-R382 PolarHBondContact O-NH1 2.93Å; T372-R382 VanDerWaalsContact C-NH1 3.3Å; T372-R382 PolarHBondContact O-NH1 3.43Å; A374-R382 VanDerWaalsContact O-CZ 3.28Å; A374-R382 PolarHBondContact O-NH1 3.23Å; A374-R382 PolarHBondContact O-NH2 2.6Å; P375-R382 PolarHBondContact O-NH2 2.91Å; P375-R382 VanDerWaalsContact O-NH2 3.08Å; I377-R382 HydrophobicContact CG2-CG 3.95Å; I377-R382 PolarHBondContact O-NE 2.95Å; I377-R382 PolarHBondContact O-NH2 2.89Å; S378-R382 VanDerWaalsContact O-CG 3.31Å; S378-R382 WeakPolarHBondContact O-CG 3.46Å; S378-R382 PolarHBondContact O-N 3.19Å; I380-R382 PolarHBondContact O-N 3.41Å; R382-Q386 VanDerWaalsContact O-CG 3.27Å; R382-Q386 WeakPolarHBondContact O-CG 3.41Å; R382-Q386 PolarHBondContact O-N 2.89Å
383R88.8Confident86.4Confident150 Ų15061 Ų6157%0.56631%0.314SS*.Hα-helixtrans-67.3-45.6176.3-173.8-176.2-67.5149.2-2.5112.5T379 I380 I381 M385 Q386 Q387T379-R383 PolarHBondContact O-N 3.21Å; T379-R383 VanDerWaalsContact O-N 3.09Å; I380-R383 WeakPolarHBondContact O-CB 3.42Å; I380-R383 PolarHBondContact O-N 2.91Å; I380-R383 VanDerWaalsContact O-N 3.13Å; I381-R383 VanDerWaalsContact C-N 3.26Å; I381-R383 PolarHBondContact O-N 3.26Å; R383-M385 VanDerWaalsContact C-N 3.32Å; R383-M385 PolarHBondContact O-N 3.29Å; R383-Q386 PolarHBondContact O-N 3.44Å; R383-Q387 WeakPolarHBondContact O-CG 3.22Å; R383-Q387 PolarHBondContact O-N 3Å
384A90.9Very high86.6Confident0 Ų063.4 Ų63.40%032%0.318CS..Hα-helixtrans-57.7-45.7174.900000111.5I380 I381 Q386 Q387 M388 L470 L473I380-A384 PolarHBondContact O-N 3.15Å; I381-A384 PolarHBondContact O-N 3.2Å; A384-Q386 PolarHBondContact O-N 2.74Å; A384-Q387 PolarHBondContact O-N 2.75Å; A384-M388 HydrophobicContact CB-CE 4.13Å; A384-M388 WeakPolarHBondContact O-CE 3.31Å; A384-M388 PolarHBondContact O-N 2.84Å; A384-M388 VanDerWaalsContact O-N 3.1Å; A384-L470 HydrophobicContact CB-CD2 4.01Å; A384-L473 HydrophobicContact CB-CD1 3.78Å; A384-L473 HydrophobicContact CB-CG 4.28Å
385M92Very high86.9Confident0 Ų063.4 Ų63.40%032%0.319CS..Hα-helixtrans-59-44.5176-71.2177.779.100112.3L371 I381 R383 M388 G389 V390 W403 W424 P428 L470L371-M385 HydrophobicContact CD1-CB 4.05Å; L371-M385 HydrophobicContact CD2-CE 3.62Å; L371-M385 HydrophobicContact CD2-SD 3.68Å; I381-M385 HydrophobicContact CG2-CG 4.38Å; I381-M385 HydrophobicContact CG2-SD 3.99Å; I381-M385 WeakPolarHBondContact O-CB 2.96Å; I381-M385 VanDerWaalsContact O-CG 3.24Å; I381-M385 WeakPolarHBondContact O-CG 3.34Å; I381-M385 PolarHBondContact O-N 3.19Å; R383-M385 VanDerWaalsContact C-N 3.32Å; R383-M385 PolarHBondContact O-N 3.29Å; M385-M388 CarbonylContact O-C 3.54Å; M385-M388 PolarHBondContact O-N 3.48Å; M385-G389 PolarHBondContact O-N 3.02Å; M385-V390 HydrophobicContact CB-CB 4.1Å; M385-V390 HydrophobicContact CE-CB 4.36Å; M385-V390 HydrophobicContact CE-CG1 3.64Å; M385-V390 WeakPolarHBondContact O-CB 3.25Å; M385-V390 PolarHBondContact O-N 2.75Å; M385-W403 HydrophobicContact CE-CH2 3.96Å; M385-W403 HydrophobicContact CE-CZ2 3.49Å; M385-W403 VanDerWaalsContact CE-CZ2 3.49Å; M385-W424 HydrophobicContact CE-CE3 4.23Å; M385-W424 HydrophobicContact CG-CZ3 4.13Å; M385-P428 HydrophobicContact CE-CB 4.16Å; M385-P428 HydrophobicContact CE-CG 3.41Å; M385-P428 VanDerWaalsContact CE-CG 3.41Å; M385-P428 HydrophobicContact CG-CG 4.34Å; M385-P428 HydrophobicContact SD-CB 3.56Å; M385-P428 VanDerWaalsContact SD-CB 3.56Å; M385-P428 HydrophobicContact SD-CG 3.49Å; M385-P428 WeakPolarHBondContact SD-CG 3.31Å; M385-L470 HydrophobicContact CG-CD2 3.98Å
386Q88.8Confident87.9Confident103 Ų10366.1 Ų66.148%0.48132%0.32SS..Hα-helixtrans-63-41.2177.5-75.5168.9-22.100112.8L371 R382 R383 A384 G389L371-Q386 HydrophobicContact CD1-CG 4.21Å; R382-Q386 VanDerWaalsContact O-CG 3.27Å; R382-Q386 WeakPolarHBondContact O-CG 3.41Å; R382-Q386 PolarHBondContact O-N 2.89Å; R383-Q386 PolarHBondContact O-N 3.44Å; A384-Q386 PolarHBondContact O-N 2.74Å; Q386-G389 WeakPolarHBondContact O-CA 3.41Å; Q386-G389 PolarHBondContact O-N 3.47Å
387Q87.9Confident88.2Confident117 Ų11763.9 Ų63.955%0.54731%0.311SS..Hα-helixtrans-60-47.6175.2-73.1174.4-19.300111.2R383 A384 G389R383-Q387 WeakPolarHBondContact O-CG 3.22Å; R383-Q387 PolarHBondContact O-N 3Å; A384-Q387 PolarHBondContact O-N 2.75Å; Q387-G389 PolarHBondContact O-N 2.87Å
388M88.8Confident88.4Confident55 Ų5563.8 Ų63.827%0.27131%0.31SS..THydrogen-bonded Turntrans-68.63.4172.7-71.9178.8-79.400114.5A384 M385 V390 W424 T469 L470A384-M388 HydrophobicContact CB-CE 4.13Å; A384-M388 WeakPolarHBondContact O-CE 3.31Å; A384-M388 PolarHBondContact O-N 2.84Å; A384-M388 VanDerWaalsContact O-N 3.1Å; M385-M388 CarbonylContact O-C 3.54Å; M385-M388 PolarHBondContact O-N 3.48Å; M388-V390 VanDerWaalsContact C-N 3.26Å; M388-V390 HydrophobicContact CB-CG2 4.22Å; M388-V390 PolarHBondContact O-N 2.99Å; M388-W424 HydrophobicContact CE-CH2 3.74Å; M388-W424 HydrophobicContact CE-CZ3 4.45Å; M388-W424 HydrophobicContact SD-CH2 3.75Å; M388-W424 HydrophobicContact SD-CZ2 4.15Å; M388-T469 HydrophobicContact CE-CG2 3.77Å; M388-T469 HydrophobicContact CG-CG2 3.87Å; M388-T469 HydrophobicContact SD-CG2 3.7Å; M388-L470 HydrophobicContact CE-CD2 3.75Å; M388-L470 HydrophobicContact CE-CG 3.92Å
389G86.8Confident88.6Confident29 Ų2962.5 Ų62.530%0.29930%0.301SS..THydrogen-bonded Turntrans75.87178.200000115.4M385 Q386 Q387 A391M385-G389 PolarHBondContact O-N 3.02Å; Q386-G389 WeakPolarHBondContact O-CA 3.41Å; Q386-G389 PolarHBondContact O-N 3.47Å; Q387-G389 PolarHBondContact O-N 2.87Å; G389-A391 PolarHBondContact O-N 3.25Å
390V87.1Confident88.8Confident17 Ų1757.9 Ų57.910%0.10327%0.272CS..THydrogen-bonded Turntrans-71.1122.6178.7-174.10000109.4M385 M388 R392 W424M385-V390 HydrophobicContact CB-CB 4.1Å; M385-V390 HydrophobicContact CE-CB 4.36Å; M385-V390 HydrophobicContact CE-CG1 3.64Å; M385-V390 WeakPolarHBondContact O-CB 3.25Å; M385-V390 PolarHBondContact O-N 2.75Å; M388-V390 VanDerWaalsContact C-N 3.26Å; M388-V390 HydrophobicContact CB-CG2 4.22Å; M388-V390 PolarHBondContact O-N 2.99Å; V390-R392 VanDerWaalsContact C-N 3.29Å; V390-R392 PolarHBondContact O-N 2.74Å; V390-W424 HydrophobicContact CG1-CD2 4.29Å; V390-W424 HydrophobicContact CG1-CE3 4.12Å; V390-W424 HydrophobicContact CG2-CD2 3.89Å; V390-W424 HydrophobicContact CG2-CE3 3.94Å; V390-W424 HydrophobicContact CG2-CH2 3.96Å; V390-W424 HydrophobicContact CG2-CZ2 3.88Å; V390-W424 HydrophobicContact CG2-CZ3 3.98Å
391A82.5Confident89Confident20 Ų2055 Ų5517%0.16526%0.257CS..THydrogen-bonded Turntrans53.634.5176.100000116L371 G389 S393 R394 W403L371-A391 HydrophobicContact CD1-CB 4.11Å; L371-A391 HydrophobicContact CG-CB 4.12Å; G389-A391 PolarHBondContact O-N 3.25Å; A391-S393 PolarHBondContact O-N 2.97Å; A391-R394 WeakPolarHBondContact CA-O 3.29Å; A391-R394 WeakPolarHBondContact CB-O 3.14Å; A391-W403 HydrophobicContact CB-CH2 3.76Å; A391-W403 HydrophobicContact CB-CZ3 4.41Å
392R76.8Confident89.1Confident194 Ų19455 Ų5573%0.73226%0.257SS*.SBendtrans-45.3-33.8176.4-77.8-177.5176.7165.76.5115V390V390-R392 VanDerWaalsContact C-N 3.29Å; V390-R392 PolarHBondContact O-N 2.74Å
393S78.4Confident89.3Confident108 Ų10852.8 Ų52.876%0.75525%0.249SC*.SBendtrans-122.2-27.2178.958.40000114.9A391A391-S393 PolarHBondContact O-N 2.97Å
394R86.7Confident89.5Confident150 Ų15046.4 Ų46.457%0.56623%0.226SC*.  trans-166.7154.6177.763.6-172.9-178-173.9-0.2112Y369 A391Y369-R394 HydrophobicContact CD1-CB 4.34Å; Y369-R394 HydrophobicContact CE1-CB 3.84Å; A391-R394 WeakPolarHBondContact CA-O 3.29Å; A391-R394 WeakPolarHBondContact CB-O 3.14Å
395A90.8Very high89.6Confident1 Ų146.6 Ų46.61%0.00823%0.227CC..  trans-68.6143169.300000111.2Y369 Q399 R400 W403Y369-A395 WeakPolarHBondContact O-CB 3.34Å; Y369-A395 PolarHBondContact O-N 3.38Å; A395-Q399 HydrophobicContact CB-CB 4.44Å; A395-R400 HydrophobicContact CB-CG 3.95Å; A395-R400 PolarHBondContact O-NE 2.97Å; A395-R400 PolarHBondContact O-NH2 3.24Å; A395-R400 VanDerWaalsContact O-NH2 3.1Å; A395-W403 HydrophobicContact CB-CE3 4.1Å; A395-W403 HydrophobicContact CB-CH2 4.03Å; A395-W403 HydrophobicContact CB-CZ3 3.51Å
396R91.9Very high89.6Confident128 Ų12846.6 Ų46.648%0.48323%0.227SC..  trans-74.4156175.6-57.6-179.4172.6-164.4-5.7110.9V398 Q399 R400 Q419 I420R396-V398 PolarHBondContact O-N 3.1Å; R396-Q399 HydrophobicContact CB-CG 4.28Å; R396-Q399 VanDerWaalsContact N-OE1 3.15Å; R396-Q399 WeakPolarHBondContact O-CA 3.28Å; R396-Q399 VanDerWaalsContact O-CB 3.31Å; R396-Q399 WeakPolarHBondContact O-CB 3.35Å; R396-Q399 PolarHBondContact O-N 2.9Å; R396-R400 WeakPolarHBondContact O-CG 3.46Å; R396-R400 PolarHBondContact O-N 3.08Å; R396-Q419 PolarHBondContact NH1-O 2.89Å; R396-I420 WeakPolarHBondContact CD-O 3.22Å; R396-I420 VanDerWaalsContact NH1-C 3.25Å; R396-I420 PolarHBondContact NH1-O 2.87Å; R396-I420 VanDerWaalsContact NH1-O 3.11Å
397A91Very high89.7Confident23 Ų2341.9 Ų41.919%0.1921%0.206CC..Hα-helixtrans-49.2-53.1-164.500000114.7Y355 V357 Q399 R400Y355-A397 WeakPolarHBondContact O-CB 3.32Å; V357-A397 HydrophobicContact CG2-CB 3.52Å; A397-Q399 PolarHBondContact O-N 3.44Å; A397-R400 WeakPolarHBondContact O-CB 3.48Å; A397-R400 PolarHBondContact O-N 3.38Å
398V93.6Very high89.7Confident0 Ų040.5 Ų40.50%020%0.202CC..Hα-helixtrans-65.9-34.3176.9-680000113.8V357 R396 R400 F401 A402 V414 I420 L596 D598V357-V398 HydrophobicContact CG1-CG1 4.28Å; V357-V398 HydrophobicContact CG2-CG1 3.62Å; R396-V398 PolarHBondContact O-N 3.1Å; V398-R400 PolarHBondContact O-N 2.83Å; V398-F401 PolarHBondContact O-N 3.48Å; V398-A402 WeakPolarHBondContact O-CB 3.25Å; V398-A402 PolarHBondContact O-N 3.28Å; V398-V414 HydrophobicContact CB-CG1 4.04Å; V398-V414 HydrophobicContact CG1-CG1 4.03Å; V398-V414 HydrophobicContact CG2-CG1 4.19Å; V398-I420 HydrophobicContact CG2-CD1 4.46Å; V398-L596 HydrophobicContact CB-CD1 4.14Å; V398-L596 HydrophobicContact CG1-CB 4.33Å; V398-L596 WeakPolarHBondContact O-CD1 3.43Å; V398-D598 HydrophobicContact CG1-CB 3.8Å
399Q94.3Very high89.7Confident3 Ų338.1 Ų38.11%0.01419%0.191CC..Hα-helixtrans-64.6-31.5-179.3-64.2170.4-18.500111.8A395 R396 A397 F401 A402 W403 G421 W424 S425A395-Q399 HydrophobicContact CB-CB 4.44Å; R396-Q399 HydrophobicContact CB-CG 4.28Å; R396-Q399 VanDerWaalsContact N-OE1 3.15Å; R396-Q399 WeakPolarHBondContact O-CA 3.28Å; R396-Q399 VanDerWaalsContact O-CB 3.31Å; R396-Q399 WeakPolarHBondContact O-CB 3.35Å; R396-Q399 PolarHBondContact O-N 2.9Å; A397-Q399 PolarHBondContact O-N 3.44Å; Q399-F401 VanDerWaalsContact C-N 3.25Å; Q399-F401 PolarHBondContact O-N 3.05Å; Q399-A402 PolarHBondContact O-N 3.1Å; Q399-W403 HydrophobicContact CB-CD2 4.09Å; Q399-W403 HydrophobicContact CB-CH2 4.34Å; Q399-W403 HydrophobicContact CB-CZ2 3.88Å; Q399-W403 HydrophobicContact CG-CZ2 4.09Å; Q399-W403 WeakPolarHBondContact O-CB 3.47Å; Q399-W403 PolarHBondContact O-N 3.32Å; Q399-G421 PolarHBondContact NE2-O 2.83Å; Q399-W424 VanDerWaalsContact NE2-CB 3.31Å; Q399-S425 WeakPolarHBondContact CG-OG 3.42Å
400R93.6Very high89.9Confident11 Ų1138.1 Ų38.14%0.04218%0.183CC..Hα-helixtrans-55.6-39.1177.9-60.1-179.6172.4-121.5-28.9112.9Y355 P367 C368 Y369 A395 R396 A397 V398 P404Y355-R400 VanDerWaalsContact CE1-NH1 3.27Å; P367-R400 CarbonylContact C-O 3.57Å; P367-R400 WeakPolarHBondContact CA-O 3.49Å; P367-R400 HydrophobicContact CB-CB 4.12Å; C368-R400 PolarHBondContact N-O 2.91Å; C368-R400 WeakPolarHBondContact O-CA 3.41Å; C368-R400 VanDerWaalsContact O-CB 3.24Å; C368-R400 WeakPolarHBondContact O-CB 3.38Å; C368-R400 VanDerWaalsContact O-CG 3.23Å; C368-R400 WeakPolarHBondContact O-CG 3.47Å; C368-R400 PolarHBondContact SG-O 2.75Å; C368-R400 VanDerWaalsContact SG-O 3.39Å; Y369-R400 PolarHBondContact O-NH2 3.05Å; A395-R400 HydrophobicContact CB-CG 3.95Å; A395-R400 PolarHBondContact O-NE 2.97Å; A395-R400 PolarHBondContact O-NH2 3.24Å; A395-R400 VanDerWaalsContact O-NH2 3.1Å; R396-R400 WeakPolarHBondContact O-CG 3.46Å; R396-R400 PolarHBondContact O-N 3.08Å; A397-R400 WeakPolarHBondContact O-CB 3.48Å; A397-R400 PolarHBondContact O-N 3.38Å; V398-R400 PolarHBondContact O-N 2.83Å; R400-P404 WeakPolarHBondContact O-CD 3.4Å; R400-P404 WeakPolarHBondContact O-CG 3.38Å
401F94.4Very high90.3Very high0 Ų037.6 Ų37.60%018%0.18CC..Hα-helixtrans-92.6-38.5178.8-59-86.8000111.8Y352 N354 Y355 V357 V365 P367 V398 Q399 L594 L596Y352-F401 HydrophobicContact CD1-CE1 4.24Å; Y352-F401 HydrophobicContact CG-CD1 4.43Å; Y352-F401 HydrophobicContact CG-CE1 4.02Å; N354-F401 HydrophobicContact CB-CZ 4.12Å; Y355-F401 HydrophobicContact CD2-CE2 4.14Å; Y355-F401 HydrophobicContact CD2-CZ 4.19Å; V357-F401 HydrophobicContact CB-CE2 4.14Å; V357-F401 HydrophobicContact CG1-CD2 4.14Å; V357-F401 HydrophobicContact CG1-CE2 4.09Å; V365-F401 HydrophobicContact CG1-CB 4.25Å; V365-F401 HydrophobicContact CG1-CD1 4.33Å; V365-F401 WeakPolarHBondContact CG1-O 3.32Å; P367-F401 HydrophobicContact CB-CD1 3.85Å; P367-F401 HydrophobicContact CB-CE1 3.81Å; P367-F401 HydrophobicContact CB-CG 4.33Å; P367-F401 HydrophobicContact CB-CZ 4.28Å; P367-F401 HydrophobicContact CG-CD1 4.42Å; P367-F401 HydrophobicContact CG-CE1 4Å; V398-F401 PolarHBondContact O-N 3.48Å; Q399-F401 VanDerWaalsContact C-N 3.25Å; Q399-F401 PolarHBondContact O-N 3.05Å; F401-L594 HydrophobicContact CB-CD2 4.07Å; F401-L594 WeakPolarHBondContact O-CD2 3.32Å; F401-L596 HydrophobicContact CB-CD1 4.08Å; F401-L596 HydrophobicContact CB-CD2 3.8Å; F401-L596 HydrophobicContact CD2-CD2 4.37Å; F401-L596 HydrophobicContact CG-CD2 4.2Å
402A95.1Very high90.9Very high0 Ų036.7 Ų36.70%017%0.172CC..Hα-helixtrans-67.5-46.2-175.300000112.9V398 Q399 H405 V406 V412 L596V398-A402 WeakPolarHBondContact O-CB 3.25Å; V398-A402 PolarHBondContact O-N 3.28Å; Q399-A402 PolarHBondContact O-N 3.1Å; A402-H405 PolarHBondContact O-N 2.93Å; A402-V406 VanDerWaalsContact O-CB 3.27Å; A402-V406 WeakPolarHBondContact O-CB 3.41Å; A402-V406 VanDerWaalsContact O-CG2 3.22Å; A402-V406 WeakPolarHBondContact O-CG2 3.44Å; A402-V406 PolarHBondContact O-N 2.81Å; A402-V412 HydrophobicContact CB-CG2 4.4Å; A402-L596 HydrophobicContact CB-CD1 3.9Å
403W94.7Very high91.9Very high0 Ų027.4 Ų27.40%014%0.137CC..Hα-helixtrans-55-56-177.9-69.3-17.8000113.5L371 A374 I377 M385 A391 A395 Q399 H405 V406 S407 W424L371-W403 HydrophobicContact CD2-CE3 4.09Å; L371-W403 HydrophobicContact CD2-CH2 3.53Å; L371-W403 HydrophobicContact CD2-CZ2 4.21Å; L371-W403 HydrophobicContact CD2-CZ3 3.45Å; L371-W403 VanDerWaalsContact CD2-CZ3 3.45Å; L371-W403 HydrophobicContact CG-CH2 3.98Å; L371-W403 HydrophobicContact CG-CZ3 3.85Å; A374-W403 HydrophobicContact CB-CB 4.16Å; A374-W403 HydrophobicContact CB-CE3 4.34Å; I377-W403 HydrophobicContact CD1-CB 4.11Å; I377-W403 HydrophobicContact CD1-CD2 4.24Å; I377-W403 HydrophobicContact CD1-CG 3.99Å; M385-W403 HydrophobicContact CE-CH2 3.96Å; M385-W403 HydrophobicContact CE-CZ2 3.49Å; M385-W403 VanDerWaalsContact CE-CZ2 3.49Å; A391-W403 HydrophobicContact CB-CH2 3.76Å; A391-W403 HydrophobicContact CB-CZ3 4.41Å; A395-W403 HydrophobicContact CB-CE3 4.1Å; A395-W403 HydrophobicContact CB-CH2 4.03Å; A395-W403 HydrophobicContact CB-CZ3 3.51Å; Q399-W403 HydrophobicContact CB-CD2 4.09Å; Q399-W403 HydrophobicContact CB-CH2 4.34Å; Q399-W403 HydrophobicContact CB-CZ2 3.88Å; Q399-W403 HydrophobicContact CG-CZ2 4.09Å; Q399-W403 WeakPolarHBondContact O-CB 3.47Å; Q399-W403 PolarHBondContact O-N 3.32Å; W403-H405 PolarHBondContact O-N 3.46Å; W403-V406 PolarHBondContact O-N 2.86Å; W403-S407 WeakPolarHBondContact O-CB 3.19Å; W403-S407 PolarHBondContact O-N 2.99Å; W403-S407 PolarHBondContact O-OG 3.16Å; W403-S407 VanDerWaalsContact O-OG 3.06Å; W403-W424 PolarHBondContact NE1-O 3.03Å
404P92.8Very high92.7Very high15 Ų1522.3 Ų22.310%0.09710%0.102CC..Hα-helixtrans-69.6-11.1-179.727.7-35.8000115V365 V366 R400 L408V365-P404 HydrophobicContact CG1-CG 4.4Å; V366-P404 VanDerWaalsContact O-CG 3.29Å; V366-P404 WeakPolarHBondContact O-CG 3.5Å; R400-P404 WeakPolarHBondContact O-CD 3.4Å; R400-P404 WeakPolarHBondContact O-CG 3.38Å; P404-L408 WeakPolarHBondContact O-CD1 3.48Å; P404-L408 WeakPolarHBondContact O-CG 3.43Å
405H92.8Very high93.2Very high4 Ų415.1 Ų15.12%0.0198%0.075CC..Hα-helixtrans-94.3-42.9174.4-17791.6000111.9V365 A402 W403 L408 K410 S411 D592 L594V365-H405 HydrophobicContact CG1-CB 4.45Å; V365-H405 HydrophobicContact CG2-CB 4.25Å; A402-H405 PolarHBondContact O-N 2.93Å; W403-H405 PolarHBondContact O-N 3.46Å; H405-L408 PolarHBondContact O-N 3.02Å; H405-K410 WeakPolarHBondContact NE2-CB 3.49Å; H405-K410 PolarHBondContact O-N 3.02Å; H405-S411 PolarHBondContact CD2-O 2.86Å; H405-S411 PolarHBondContact NE2-O 3.36Å; H405-D592 PolarHBondContact CE1-O 3.42Å; H405-D592 PolarHBondContact NE2-O 2.83Å; H405-L594 HydrophobicContact CB-CD2 3.69Å; H405-L594 VanDerWaalsContact CD2-CB 3.42Å; H405-L594 WeakPolarHBondContact CD2-CB 3.26Å; H405-L594 VanDerWaalsContact NE2-CB 3.31Å; H405-L594 WeakPolarHBondContact NE2-CB 3.28Å; H405-L594 PolarHBondContact NE2-N 3.3Å
406V93Very high93.2Very high0 Ų015.1 Ų15.10%07%0.074CC..Hα-helixtrans-71.4-35.8178.5174.10000111.1A402 W403 L408 G409 V412 T429 Q569 L571A402-V406 VanDerWaalsContact O-CB 3.27Å; A402-V406 WeakPolarHBondContact O-CB 3.41Å; A402-V406 VanDerWaalsContact O-CG2 3.22Å; A402-V406 WeakPolarHBondContact O-CG2 3.44Å; A402-V406 PolarHBondContact O-N 2.81Å; W403-V406 PolarHBondContact O-N 2.86Å; V406-L408 PolarHBondContact O-N 3.46Å; V406-G409 WeakPolarHBondContact O-CA 3.45Å; V406-G409 PolarHBondContact O-N 3.03Å; V406-V412 HydrophobicContact CG2-CB 3.77Å; V406-V412 HydrophobicContact CG2-CG1 3.61Å; V406-V412 HydrophobicContact CG2-CG2 4.32Å; V406-T429 HydrophobicContact CG1-CG2 4.07Å; V406-Q569 PolarHBondContact O-NE2 3.47Å; V406-Q569 VanDerWaalsContact O-NE2 3.1Å; V406-L571 HydrophobicContact CG1-CD2 4.03Å; V406-L571 HydrophobicContact CG2-CD2 4.2Å
407S90.1Very high93Very high4 Ų412.1 Ų12.13%0.0287%0.068CC..THydrogen-bonded Turntrans-60.9-31176.870.50000112.8D376 W403 G409 R433D376-S407 WeakPolarHBondContact OD2-CB 3.39Å; D376-S407 PolarHBondContact OD2-OG 3.1Å; W403-S407 WeakPolarHBondContact O-CB 3.19Å; W403-S407 PolarHBondContact O-N 2.99Å; W403-S407 PolarHBondContact O-OG 3.16Å; W403-S407 VanDerWaalsContact O-OG 3.06Å; S407-G409 VanDerWaalsContact C-N 3.28Å; S407-G409 PolarHBondContact O-N 3.35Å; S407-R433 PolarHBondContact O-NH2 2.9Å
408L88.6Confident92.6Very high88 Ų8815.6 Ų15.646%0.4618%0.083SC..THydrogen-bonded Turntrans-79.4-1.1171.8-61.9176.5000114.2P404 H405 V406P404-L408 WeakPolarHBondContact O-CD1 3.48Å; P404-L408 WeakPolarHBondContact O-CG 3.43Å; H405-L408 PolarHBondContact O-N 3.02Å; V406-L408 PolarHBondContact O-N 3.46Å
409G88.8Confident92Very high5 Ų524 Ų245%0.05212%0.122CC..THydrogen-bonded Turntrans84.315.6176.400000115.3V406 S407 R433 Q569V406-G409 WeakPolarHBondContact O-CA 3.45Å; V406-G409 PolarHBondContact O-N 3.03Å; S407-G409 VanDerWaalsContact C-N 3.28Å; S407-G409 PolarHBondContact O-N 3.35Å; G409-R433 VanDerWaalsContact N-NH2 3.15Å; G409-Q569 VanDerWaalsContact C-CD 3.45Å
410K91.6Very high91.5Very high30 Ų3025 Ų2513%0.1313%0.127CC..  trans-91.1145.4178.2-59.6-177-177.5-179.60111.3H363 H405 Q569H363-K410 PolarHBondContact CE1-NZ 3.46Å; H363-K410 PolarHBondContact ND1-NZ 2.91Å; H405-K410 WeakPolarHBondContact NE2-CB 3.49Å; H405-K410 PolarHBondContact O-N 3.02Å; K410-Q569 PolarHBondContact O-NE2 3.06Å
411S94.4Very high91.3Very high6 Ų624.9 Ų24.94%0.04213%0.129CC..  trans-66.3149.6-176.2-610000112.2H405 L570 V593 L594H405-S411 PolarHBondContact CD2-O 2.86Å; H405-S411 PolarHBondContact NE2-O 3.36Å; S411-L570 WeakPolarHBondContact CA-O 3.18Å; S411-L570 WeakPolarHBondContact CB-O 3.44Å; S411-L570 PolarHBondContact OG-N 2.78Å; S411-L570 VanDerWaalsContact OG-N 3.14Å; S411-L570 PolarHBondContact OG-O 2.77Å; S411-V593 WeakPolarHBondContact O-CA 3.43Å; S411-L594 PolarHBondContact O-N 3Å
412V95.8Very high91.3Very high0 Ų025.4 Ų25.40%013%0.131CC..EExtended strand (participates in β ladder)trans-137.8140.3-178.978.40000111.7A402 V406 V414 Y426 L570 L571 V572 M590 L594A402-V412 HydrophobicContact CB-CG2 4.4Å; V406-V412 HydrophobicContact CG2-CB 3.77Å; V406-V412 HydrophobicContact CG2-CG1 3.61Å; V406-V412 HydrophobicContact CG2-CG2 4.32Å; V412-V414 HydrophobicContact CG1-CG2 4.34Å; V412-V414 HydrophobicContact CG2-CG2 3.89Å; V412-Y426 HydrophobicContact CG1-CD1 4.27Å; V412-L570 PolarHBondContact N-O 3.25Å; V412-L571 HydrophobicContact CG1-CD2 3.75Å; V412-V572 PolarHBondContact O-N 3.43Å; V412-M590 VanDerWaalsContact O-CE 3.27Å; V412-M590 WeakPolarHBondContact O-CE 3.21Å; V412-L594 WeakPolarHBondContact CA-O 3.5Å; V412-L594 HydrophobicContact CG2-CB 4.22Å; V412-L594 HydrophobicContact CG2-CD2 4.27Å; V412-L594 HydrophobicContact CG2-CG 4.31Å; V412-L594 VanDerWaalsContact CG2-O 3.31Å; V412-L594 WeakPolarHBondContact CG2-O 3.42Å
413L96.6Very high91.3Very high0 Ų026.2 Ų26.20%014%0.136CC..EExtended strand (participates in β ladder)trans-122.6112.2172.6171.857.9000108.9V415 V572 W577 M582 L587 M590 V593 L594 V595 L596L413-V415 HydrophobicContact CD1-CG2 4.13Å; L413-V415 HydrophobicContact CG-CG2 4.33Å; L413-V572 CarbonylContact C-O 3.57Å; L413-V572 WeakPolarHBondContact CA-O 3.43Å; L413-V572 HydrophobicContact CD1-CB 3.73Å; L413-V572 HydrophobicContact CD1-CG1 3.6Å; L413-W577 HydrophobicContact CD2-CH2 4.06Å; L413-W577 HydrophobicContact CD2-CZ3 3.63Å; L413-W577 HydrophobicContact CG-CZ3 4.48Å; L413-M582 HydrophobicContact CD1-CE 4.39Å; L413-M582 HydrophobicContact CD1-SD 3.98Å; L413-M582 HydrophobicContact CD2-SD 4.03Å; L413-L587 HydrophobicContact CD2-CD2 3.87Å; L413-M590 HydrophobicContact CB-CE 4.25Å; L413-V593 HydrophobicContact CB-CG2 3.98Å; L413-L594 PolarHBondContact N-O 3.31Å; L413-V595 HydrophobicContact CB-CG2 4.47Å; L413-V595 HydrophobicContact CD2-CG1 4.25Å; L413-V595 HydrophobicContact CD2-CG2 4.46Å; L413-V595 HydrophobicContact CG-CG1 4.33Å; L413-V595 CarbonylContact O-C 3.26Å; L413-V595 WeakPolarHBondContact O-CA 3.23Å; L413-L596 PolarHBondContact O-N 3.19Å
414V96.9Very high91.3Very high0 Ų027.4 Ų27.40%014%0.141CC..EExtended strand (participates in β ladder)trans-112.2117.5-176.9-169.80000110.6V398 V412 K422 V572 S573 G574 L596V398-V414 HydrophobicContact CB-CG1 4.04Å; V398-V414 HydrophobicContact CG1-CG1 4.03Å; V398-V414 HydrophobicContact CG2-CG1 4.19Å; V412-V414 HydrophobicContact CG1-CG2 4.34Å; V412-V414 HydrophobicContact CG2-CG2 3.89Å; V414-K422 HydrophobicContact CB-CD 4.44Å; V414-K422 HydrophobicContact CB-CG 4.44Å; V414-K422 HydrophobicContact CG1-CB 4.38Å; V414-K422 HydrophobicContact CG1-CD 4.16Å; V414-K422 HydrophobicContact CG1-CG 3.88Å; V414-K422 WeakPolarHBondContact O-CD 3.17Å; V414-V572 PolarHBondContact N-O 3.49Å; V414-S573 CarbonylContact O-C 3.57Å; V414-S573 WeakPolarHBondContact O-CA 3.37Å; V414-G574 PolarHBondContact O-N 3.4Å; V414-L596 HydrophobicContact CG1-CB 4.37Å; V414-L596 HydrophobicContact CG2-CD1 4.31Å
415V95.7Very high91.4Very high0 Ų026.7 Ų26.70%014%0.136CC..EExtended strand (participates in β ladder)trans-118.1134.3-178.4177.20000110.6L413 W577 L596 F597 D598 E602L413-V415 HydrophobicContact CD1-CG2 4.13Å; L413-V415 HydrophobicContact CG-CG2 4.33Å; V415-W577 HydrophobicContact CG2-CE3 4.13Å; V415-L596 PolarHBondContact N-O 3.47Å; V415-F597 HydrophobicContact CB-CD1 4.02Å; V415-F597 HydrophobicContact CB-CE1 4.23Å; V415-F597 HydrophobicContact CG1-CD1 4.12Å; V415-F597 HydrophobicContact CG1-CE1 4.29Å; V415-F597 WeakPolarHBondContact O-CA 3.43Å; V415-D598 PolarHBondContact O-N 2.96Å; V415-E602 HydrophobicContact CG1-CB 4.27Å
416G92.1Very high91.5Very high0 Ų026.5 Ų26.50%014%0.135CC..  trans155.9-175.4176.200000112.7K422 G574 R575G416-K422 PolarHBondContact O-NZ 3.21Å; G416-G574 PolarHBondContact N-O 2.73Å; G416-G574 VanDerWaalsContact N-O 3.16Å; G416-G574 VanDerWaalsContact O-O 3.12Å; G416-R575 WeakPolarHBondContact O-CA 3.36Å
417N87.1Confident91.6Very high66 Ų6626.5 Ų26.535%0.35314%0.135SC..  trans-59.4173.3-167.6-62.2-80.9000114.7I420 K422 D599 K720N417-I420 HydrophobicContact CB-CG2 4.03Å; N417-K422 PolarHBondContact O-NZ 2.95Å; N417-D599 PolarHBondContact ND2-OD2 3.08Å; N417-D599 PolarHBondContact OD1-OD2 3.46Å; N417-K720 PolarHBondContact OD1-NZ 3.02Å
418L81.6Confident91.8Very high95 Ų9526.3 Ų26.350%0.49713%0.134SC..THydrogen-bonded Turntrans-60.8156.3167.6-87.7-180000111.1I420L418-I420 PolarHBondContact O-N 2.75Å
419Q81.4Confident92Very high178 Ų17822.3 Ų22.383%0.83211%0.114SC*.THydrogen-bonded Turntrans58.36.1172.1-60.8-179.9-2.900116.9R396 G421R396-Q419 PolarHBondContact NH1-O 2.89Å; Q419-G421 PolarHBondContact O-N 3.26Å
420I84.5Confident92.3Very high24 Ų2422.3 Ų22.312%0.12311%0.113CC..SBendtrans-66.5-21175.969.4171.6000112.9R396 V398 N417 L418 K422 D598R396-I420 WeakPolarHBondContact CD-O 3.22Å; R396-I420 VanDerWaalsContact NH1-C 3.25Å; R396-I420 PolarHBondContact NH1-O 2.87Å; R396-I420 VanDerWaalsContact NH1-O 3.11Å; V398-I420 HydrophobicContact CG2-CD1 4.46Å; N417-I420 HydrophobicContact CB-CG2 4.03Å; L418-I420 PolarHBondContact O-N 2.75Å; I420-K422 HydrophobicContact CD1-CD 4.16Å; I420-K422 HydrophobicContact CD1-CG 3.66Å; I420-K422 HydrophobicContact CG1-CD 4.4Å; I420-K422 HydrophobicContact CG1-CG 3.56Å; I420-D598 HydrophobicContact CD1-CB 3.46Å; I420-D598 VanDerWaalsContact CD1-CB 3.46Å; I420-D598 VanDerWaalsContact CG2-OD2 3.29Å; I420-D598 WeakPolarHBondContact CG2-OD2 3.18Å
421G88.8Confident92.5Very high8 Ų820.9 Ų20.98%0.08211%0.106CC..  trans104.930.2177.900000114.6Q399 Q419 W424 S425Q399-G421 PolarHBondContact NE2-O 2.83Å; Q419-G421 PolarHBondContact O-N 3.26Å; G421-W424 CarbonylContact O-C 3.6Å; G421-W424 PolarHBondContact O-N 3.46Å; G421-S425 PolarHBondContact O-N 3.1Å; G421-S425 VanDerWaalsContact O-N 3.13Å; G421-S425 PolarHBondContact O-OG 3.3Å
422K94.1Very high92.4Very high10 Ų1021.3 Ų21.34%0.04311%0.107CC..SBendtrans-55.8-56-179.1-61.3-164-69.9-970113.2V414 G416 N417 I420 W424 S425 Y426 N538 S573 G574V414-K422 HydrophobicContact CB-CD 4.44Å; V414-K422 HydrophobicContact CB-CG 4.44Å; V414-K422 HydrophobicContact CG1-CB 4.38Å; V414-K422 HydrophobicContact CG1-CD 4.16Å; V414-K422 HydrophobicContact CG1-CG 3.88Å; V414-K422 WeakPolarHBondContact O-CD 3.17Å; G416-K422 PolarHBondContact O-NZ 3.21Å; N417-K422 PolarHBondContact O-NZ 2.95Å; I420-K422 HydrophobicContact CD1-CD 4.16Å; I420-K422 HydrophobicContact CD1-CG 3.66Å; I420-K422 HydrophobicContact CG1-CD 4.4Å; I420-K422 HydrophobicContact CG1-CG 3.56Å; K422-W424 VanDerWaalsContact C-N 3.27Å; K422-W424 PolarHBondContact O-N 2.9Å; K422-S425 WeakPolarHBondContact O-CA 3.46Å; K422-S425 WeakPolarHBondContact O-CB 3.47Å; K422-S425 PolarHBondContact O-N 3.04Å; K422-S425 PolarHBondContact O-OG 3.21Å; K422-Y426 VanDerWaalsContact O-CE1 3.31Å; K422-Y426 WeakPolarHBondContact O-CE1 3.36Å; K422-N538 WeakPolarHBondContact CE-OD1 3.4Å; K422-S573 WeakPolarHBondContact CB-OG 3.35Å; K422-S573 WeakPolarHBondContact CD-OG 3.27Å; K422-S573 WeakPolarHBondContact CE-OG 3.46Å; K422-G574 WeakPolarHBondContact CD-O 3.49Å; K422-G574 WeakPolarHBondContact CE-O 3.08Å; K422-G574 PolarHBondContact NZ-O 3.31Å
423T95.1Very high92.2Very high17 Ų1725.2 Ų25.210%0.10412%0.122CC..G310 helixtrans-52.1-47.6176.4-33.90000111.1S425 Y426 L427 F452 I463 W466 D537T423-S425 PolarHBondContact O-N 3.21Å; T423-S425 VanDerWaalsContact O-N 3.1Å; T423-Y426 PolarHBondContact O-N 2.91Å; T423-Y426 VanDerWaalsContact O-N 3.16Å; T423-L427 HydrophobicContact CG2-CB 4.4Å; T423-L427 HydrophobicContact CG2-CD2 4.3Å; T423-L427 WeakPolarHBondContact O-CB 3.32Å; T423-L427 PolarHBondContact O-N 3.4Å; T423-F452 HydrophobicContact CG2-CZ 4Å; T423-I463 HydrophobicContact CG2-CD1 4.15Å; T423-I463 HydrophobicContact CG2-CG1 4.18Å; T423-W466 HydrophobicContact CG2-CZ3 4.32Å; T423-D537 WeakPolarHBondContact CB-OD2 3.19Å; T423-D537 VanDerWaalsContact CG2-OD2 3.25Å; T423-D537 WeakPolarHBondContact CG2-OD2 3.4Å; T423-D537 PolarHBondContact OG1-OD2 3.08Å
424W94.8Very high92Very high25 Ų2525.4 Ų25.410%0.09512%0.124CC..G310 helixtrans-65.6-8.9176.2-76.2105.1000115.4M385 M388 V390 Q399 W403 G421 K422 Y426 L427 P428 W466 L470M385-W424 HydrophobicContact CE-CE3 4.23Å; M385-W424 HydrophobicContact CG-CZ3 4.13Å; M388-W424 HydrophobicContact CE-CH2 3.74Å; M388-W424 HydrophobicContact CE-CZ3 4.45Å; M388-W424 HydrophobicContact SD-CH2 3.75Å; M388-W424 HydrophobicContact SD-CZ2 4.15Å; V390-W424 HydrophobicContact CG1-CD2 4.29Å; V390-W424 HydrophobicContact CG1-CE3 4.12Å; V390-W424 HydrophobicContact CG2-CD2 3.89Å; V390-W424 HydrophobicContact CG2-CE3 3.94Å; V390-W424 HydrophobicContact CG2-CH2 3.96Å; V390-W424 HydrophobicContact CG2-CZ2 3.88Å; V390-W424 HydrophobicContact CG2-CZ3 3.98Å; Q399-W424 VanDerWaalsContact NE2-CB 3.31Å; W403-W424 PolarHBondContact NE1-O 3.03Å; G421-W424 CarbonylContact O-C 3.6Å; G421-W424 PolarHBondContact O-N 3.46Å; K422-W424 VanDerWaalsContact C-N 3.27Å; K422-W424 PolarHBondContact O-N 2.9Å; W424-Y426 VanDerWaalsContact C-N 3.25Å; W424-L427 HydrophobicContact CH2-CD2 4.42Å; W424-L427 HydrophobicContact CZ2-CD2 4.48Å; W424-L427 HydrophobicContact CZ3-CD2 4.5Å; W424-P428 HydrophobicContact CE3-CG 3.93Å; W424-P428 HydrophobicContact CZ3-CG 4.15Å; W424-W466 HydrophobicContact CH2-CB 4.14Å; W424-W466 HydrophobicContact CH2-CG 4.29Å; W424-W466 HydrophobicContact CZ2-CB 3.86Å; W424-W466 AromaticContact CZ2-CD1 3.8Å; W424-W466 AromaticContact CZ2-CD2 3.76Å; W424-W466 HydrophobicContact CZ2-CD2 3.76Å; W424-W466 HydrophobicContact CZ2-CE3 4.33Å; W424-W466 AromaticContact CZ2-CG 3.54Å; W424-W466 HydrophobicContact CZ2-CG 3.54Å; W424-W466 AromaticContact NE1-CD2 3.85Å; W424-W466 AromaticContact NE1-CE2 3.87Å; W424-W466 AromaticContact NE1-CE3 3.86Å; W424-W466 AromaticContact NE1-CH2 3.98Å; W424-W466 AromaticContact NE1-CZ2 3.93Å; W424-W466 AromaticContact NE1-CZ3 3.94Å; W424-L470 HydrophobicContact CH2-CD1 4.21Å; W424-L470 HydrophobicContact CH2-CG 4.47Å; W424-L470 HydrophobicContact CZ3-CD1 4.03Å; W424-L470 HydrophobicContact CZ3-CD2 4.22Å; W424-L470 HydrophobicContact CZ3-CG 4.49Å
425S95.1Very high91.9Very high0 Ų026.2 Ų26.20%013%0.127CC..G310 helixtrans-76.6-12.5173.7-56.60000112.9Q399 G421 K422 T423Q399-S425 WeakPolarHBondContact CG-OG 3.42Å; G421-S425 PolarHBondContact O-N 3.1Å; G421-S425 VanDerWaalsContact O-N 3.13Å; G421-S425 PolarHBondContact O-OG 3.3Å; K422-S425 WeakPolarHBondContact O-CA 3.46Å; K422-S425 WeakPolarHBondContact O-CB 3.47Å; K422-S425 PolarHBondContact O-N 3.04Å; K422-S425 PolarHBondContact O-OG 3.21Å; T423-S425 PolarHBondContact O-N 3.21Å; T423-S425 VanDerWaalsContact O-N 3.1Å
426Y95.4Very high91.6Very high0 Ų029.3 Ų29.30%014%0.142CC..THydrogen-bonded Turntrans-143.9-25.3178.954.7-99.5000114.9V412 K422 T423 W424 T429 V430 F452 A535 D537 L571V412-Y426 HydrophobicContact CG1-CD1 4.27Å; K422-Y426 VanDerWaalsContact O-CE1 3.31Å; K422-Y426 WeakPolarHBondContact O-CE1 3.36Å; T423-Y426 PolarHBondContact O-N 2.91Å; T423-Y426 VanDerWaalsContact O-N 3.16Å; W424-Y426 VanDerWaalsContact C-N 3.25Å; Y426-T429 WeakPolarHBondContact O-CB 3.35Å; Y426-T429 PolarHBondContact O-N 2.99Å; Y426-V430 HydrophobicContact CD2-CG2 4.14Å; Y426-V430 PolarHBondContact O-N 3.23Å; Y426-F452 HydrophobicContact CD2-CE2 4.5Å; Y426-F452 AromaticContact CE2-CE2 3.82Å; Y426-F452 HydrophobicContact CE2-CE2 3.82Å; Y426-F452 AromaticContact CE2-CZ 3.88Å; Y426-F452 HydrophobicContact CE2-CZ 3.88Å; Y426-A535 HydrophobicContact CE2-CB 4.15Å; Y426-D537 VanDerWaalsContact OH-CB 3.28Å; Y426-D537 WeakPolarHBondContact OH-CB 3.04Å; Y426-D537 PolarHBondContact OH-OD1 3.27Å; Y426-L571 HydrophobicContact CD1-CB 4.49Å; Y426-L571 HydrophobicContact CD2-CB 4.21Å; Y426-L571 HydrophobicContact CD2-CD1 3.7Å; Y426-L571 HydrophobicContact CE2-CB 4.47Å; Y426-L571 HydrophobicContact CG-CB 4.23Å; Y426-L571 HydrophobicContact CG-CD1 3.94Å; Y426-L571 HydrophobicContact CG-CG 4.48Å
427L95.9Very high91.6Very high0 Ų031.2 Ų31.20%015%0.152CC..Hα-helixtrans-48.9-42-179.9-176.667.1000115.2T423 W424 T429 V430 C431 F452 I463 W466 M467 L470T423-L427 HydrophobicContact CG2-CB 4.4Å; T423-L427 HydrophobicContact CG2-CD2 4.3Å; T423-L427 WeakPolarHBondContact O-CB 3.32Å; T423-L427 PolarHBondContact O-N 3.4Å; W424-L427 HydrophobicContact CH2-CD2 4.42Å; W424-L427 HydrophobicContact CZ2-CD2 4.48Å; W424-L427 HydrophobicContact CZ3-CD2 4.5Å; L427-T429 VanDerWaalsContact C-N 3.35Å; L427-T429 PolarHBondContact O-N 3.22Å; L427-V430 PolarHBondContact O-N 3.2Å; L427-C431 PolarHBondContact O-N 3.06Å; L427-C431 PolarHBondContact O-SG 3.06Å; L427-C431 VanDerWaalsContact O-SG 3.41Å; L427-F452 HydrophobicContact CD1-CE2 3.97Å; L427-I463 HydrophobicContact CD1-CG2 4.31Å; L427-W466 HydrophobicContact CD2-CB 3.8Å; L427-W466 HydrophobicContact CD2-CE3 4Å; L427-M467 HydrophobicContact CD1-CE 3.64Å; L427-M467 HydrophobicContact CD1-CG 3.81Å; L427-L470 HydrophobicContact CD2-CD1 4.18Å; L427-L470 HydrophobicContact CG-CD1 3.88Å
428P94.4Very high91.8Very high0 Ų028 Ų280%014%0.135CC..Hα-helixtrans-60-44.6177.7-21.933.3000112.6I381 M385 W424 C431 Q432I381-P428 HydrophobicContact CG2-CB 3.67Å; M385-P428 HydrophobicContact CE-CB 4.16Å; M385-P428 HydrophobicContact CE-CG 3.41Å; M385-P428 VanDerWaalsContact CE-CG 3.41Å; M385-P428 HydrophobicContact CG-CG 4.34Å; M385-P428 HydrophobicContact SD-CB 3.56Å; M385-P428 VanDerWaalsContact SD-CB 3.56Å; M385-P428 HydrophobicContact SD-CG 3.49Å; M385-P428 WeakPolarHBondContact SD-CG 3.31Å; W424-P428 HydrophobicContact CE3-CG 3.93Å; W424-P428 HydrophobicContact CZ3-CG 4.15Å; P428-C431 PolarHBondContact O-N 2.9Å; P428-Q432 WeakPolarHBondContact O-CB 3.33Å; P428-Q432 PolarHBondContact O-N 2.74Å
429T92.6Very high92.1Very high5 Ų526.7 Ų26.73%0.03113%0.126CC..Hα-helixtrans-68.5-37.2178.1-47.60000111.6V406 Y426 L427 R433V406-T429 HydrophobicContact CG1-CG2 4.07Å; Y426-T429 WeakPolarHBondContact O-CB 3.35Å; Y426-T429 PolarHBondContact O-N 2.99Å; L427-T429 VanDerWaalsContact C-N 3.35Å; L427-T429 PolarHBondContact O-N 3.22Å; T429-R433 HydrophobicContact CG2-CG 4.13Å; T429-R433 VanDerWaalsContact O-CB 3.3Å; T429-R433 WeakPolarHBondContact O-CB 3.15Å; T429-R433 WeakPolarHBondContact O-CG 3.39Å; T429-R433 PolarHBondContact O-N 2.64Å
430V94.8Very high92.5Very high5 Ų525.8 Ų25.83%0.0312%0.115CC..Hα-helixtrans-59.5-52.7174169.50000110.6Y426 L427 Q432 S434 C450 F452 I505 L571Y426-V430 HydrophobicContact CD2-CG2 4.14Å; Y426-V430 PolarHBondContact O-N 3.23Å; L427-V430 PolarHBondContact O-N 3.2Å; V430-Q432 PolarHBondContact O-N 2.79Å; V430-S434 WeakPolarHBondContact O-CB 3.34Å; V430-S434 PolarHBondContact O-N 3.14Å; V430-C450 HydrophobicContact CG1-CB 4.41Å; V430-C450 VanDerWaalsContact CG1-SG 3.56Å; V430-F452 HydrophobicContact CG1-CD2 4.46Å; V430-I505 HydrophobicContact CG1-CD1 4.14Å; V430-L571 HydrophobicContact CG2-CD1 3.35Å
431C95.1Very high92.6Very high0 Ų026.5 Ų26.50%012%0.116CC..Hα-helixtrans-60.2-48178.9-65.50000111.7L427 P428 H435 L470 L471L427-C431 PolarHBondContact O-N 3.06Å; L427-C431 PolarHBondContact O-SG 3.06Å; L427-C431 VanDerWaalsContact O-SG 3.41Å; P428-C431 PolarHBondContact O-N 2.9Å; C431-H435 WeakPolarHBondContact O-CB 3.27Å; C431-H435 PolarHBondContact O-N 2.74Å; C431-L470 HydrophobicContact CB-CB 3.87Å; C431-L470 HydrophobicContact CB-CD1 4.11Å; C431-L470 VanDerWaalsContact SG-CD1 3.55Å; C431-L471 HydrophobicContact CB-CD2 3.89Å; C431-L471 HydrophobicContact CB-CG 4.06Å; C431-L471 WeakPolarHBondContact O-CD2 3.35Å
432Q93.1Very high92.2Very high14 Ų1430.3 Ų30.37%0.06514%0.14CC..Hα-helixtrans-59.5-55-179.8-169.8-172.7-4500112.2D376 I381 P428 V430 H435 E436D376-Q432 PolarHBondContact O-NE2 3.12Å; D376-Q432 PolarHBondContact O-OE1 3.39Å; I381-Q432 HydrophobicContact CD1-CB 4.47Å; I381-Q432 HydrophobicContact CG1-CB 4.08Å; I381-Q432 HydrophobicContact CG1-CG 4.28Å; P428-Q432 WeakPolarHBondContact O-CB 3.33Å; P428-Q432 PolarHBondContact O-N 2.74Å; V430-Q432 PolarHBondContact O-N 2.79Å; Q432-H435 PolarHBondContact O-N 3.03Å; Q432-E436 HydrophobicContact CG-CG 4.48Å; Q432-E436 WeakPolarHBondContact CG-OE1 3.37Å; Q432-E436 PolarHBondContact NE2-OE1 3.27Å; Q432-E436 WeakPolarHBondContact O-CB 3.45Å; Q432-E436 WeakPolarHBondContact O-CG 3.45Å; Q432-E436 PolarHBondContact O-N 3.01Å
433R91.4Very high91.5Very high82 Ų8236 Ų3631%0.30917%0.171SC..Hα-helixtrans-65-42.6-178.3-72.1-178.6165.3-131.9-11.8111.9S407 G409 T429 H435 E436 D437S407-R433 PolarHBondContact O-NH2 2.9Å; G409-R433 VanDerWaalsContact N-NH2 3.15Å; T429-R433 HydrophobicContact CG2-CG 4.13Å; T429-R433 VanDerWaalsContact O-CB 3.3Å; T429-R433 WeakPolarHBondContact O-CB 3.15Å; T429-R433 WeakPolarHBondContact O-CG 3.39Å; T429-R433 PolarHBondContact O-N 2.64Å; R433-H435 VanDerWaalsContact C-N 3.27Å; R433-H435 PolarHBondContact O-N 3.28Å; R433-E436 PolarHBondContact O-N 3.27Å; R433-D437 WeakPolarHBondContact O-CB 3.38Å; R433-D437 PolarHBondContact O-N 3.08Å
434S93.3Very high90.8Very high4 Ų441.7 Ų41.73%0.02821%0.205CC..Hα-helixtrans-62.3-37.5179.7-169.80000111.8V430 L438 G504 I505V430-S434 WeakPolarHBondContact O-CB 3.34Å; V430-S434 PolarHBondContact O-N 3.14Å; S434-L438 WeakPolarHBondContact O-CB 3.22Å; S434-L438 PolarHBondContact O-N 3.11Å; S434-L438 VanDerWaalsContact O-N 3.08Å; S434-G504 WeakPolarHBondContact OG-CA 3.37Å; S434-G504 PolarHBondContact OG-O 3.36Å; S434-G504 VanDerWaalsContact OG-O 3.1Å; S434-I505 WeakPolarHBondContact OG-CG1 3.41Å
435H92.8Very high90.2Very high18 Ų1841 Ų418%0.08321%0.205CC..Hα-helixtrans-72.9-49.1174.3176.985.4000111.8C431 Q432 R433 D437 L438 Q439 L471 L474 G475 D482C431-H435 WeakPolarHBondContact O-CB 3.27Å; C431-H435 PolarHBondContact O-N 2.74Å; Q432-H435 PolarHBondContact O-N 3.03Å; R433-H435 VanDerWaalsContact C-N 3.27Å; R433-H435 PolarHBondContact O-N 3.28Å; H435-D437 VanDerWaalsContact C-N 3.3Å; H435-D437 PolarHBondContact O-N 3.07Å; H435-L438 WeakPolarHBondContact O-CA 3.36Å; H435-L438 WeakPolarHBondContact O-CB 3.46Å; H435-L438 PolarHBondContact O-N 3Å; H435-L438 VanDerWaalsContact O-N 3.07Å; H435-Q439 PolarHBondContact CE1-NE2 2.77Å; H435-Q439 WeakPolarHBondContact O-CG 3.42Å; H435-Q439 PolarHBondContact O-N 3.34Å; H435-L471 HydrophobicContact CB-CD2 3.85Å; H435-L474 HydrophobicContact CB-CD1 3.79Å; H435-G475 PolarHBondContact CE1-O 2.89Å; H435-D482 IonicContact CE1-OD1 3.06Å; H435-D482 IonicContact CG-OD1 2.71Å; H435-D482 IonicContact ND1-OD1 3.83Å; H435-D482 PolarHBondContact ND1-OD1 2.79Å
436E91.2Very high90Very high64 Ų6445.5 Ų45.530%0.29922%0.222SC..Hα-helixtrans-54.7-44178-84.7-171.9-134.100112.6Q432 R433 R440Q432-E436 HydrophobicContact CG-CG 4.48Å; Q432-E436 WeakPolarHBondContact CG-OE1 3.37Å; Q432-E436 PolarHBondContact NE2-OE1 3.27Å; Q432-E436 WeakPolarHBondContact O-CB 3.45Å; Q432-E436 WeakPolarHBondContact O-CG 3.45Å; Q432-E436 PolarHBondContact O-N 3.01Å; R433-E436 PolarHBondContact O-N 3.27Å; E436-R440 WeakPolarHBondContact O-CD 3.31Å; E436-R440 WeakPolarHBondContact O-CG 3.24Å; E436-R440 PolarHBondContact O-NE 3.17Å; E436-R440 IonicContact OE2-CZ 2.62Å; E436-R440 IonicContact OE2-NH1 2.78Å; E436-R440 PolarHBondContact OE2-NH1 2.82Å; E436-R440 IonicContact OE2-NH2 2.79Å; E436-R440 PolarHBondContact OE2-NH2 3.3Å
437D90.8Very high89.8Confident40 Ų4045.5 Ų45.521%0.21422%0.222CC..Hα-helixtrans-76.4-29.5177.1-75.9-25.6000112.1R433 H435 R440 R441 T449R433-D437 WeakPolarHBondContact O-CB 3.38Å; R433-D437 PolarHBondContact O-N 3.08Å; H435-D437 VanDerWaalsContact C-N 3.3Å; H435-D437 PolarHBondContact O-N 3.07Å; D437-R440 WeakPolarHBondContact O-CB 3.23Å; D437-R440 PolarHBondContact O-N 2.62Å; D437-R440 IonicContact OD1-CZ 2.93Å; D437-R440 IonicContact OD1-NH1 3.23Å; D437-R440 PolarHBondContact OD1-NH1 3.49Å; D437-R441 WeakPolarHBondContact O-CG 3.46Å; D437-R441 PolarHBondContact O-N 2.99Å; D437-T449 HydrophobicContact CB-CG2 3.66Å
438L91.3Very high89.8Confident0 Ų045.5 Ų45.50%022%0.222CC..Hα-helixtrans-60.2-43.9170.5-175.861.9000111.6S434 H435 R440 R441 F480 P502S434-L438 WeakPolarHBondContact O-CB 3.22Å; S434-L438 PolarHBondContact O-N 3.11Å; S434-L438 VanDerWaalsContact O-N 3.08Å; H435-L438 WeakPolarHBondContact O-CA 3.36Å; H435-L438 WeakPolarHBondContact O-CB 3.46Å; H435-L438 PolarHBondContact O-N 3Å; H435-L438 VanDerWaalsContact O-N 3.07Å; L438-R440 PolarHBondContact O-N 3.47Å; L438-R440 VanDerWaalsContact O-N 3.14Å; L438-R441 PolarHBondContact O-N 3.47Å; L438-R441 VanDerWaalsContact O-N 3.16Å; L438-F480 HydrophobicContact CD1-CB 3.91Å; L438-F480 HydrophobicContact CD1-CD2 3.85Å; L438-F480 HydrophobicContact CD1-CG 4.24Å; L438-F480 HydrophobicContact CD2-CB 4.09Å; L438-F480 HydrophobicContact CG-CB 4.23Å; L438-F480 HydrophobicContact CG-CD2 4.3Å; L438-P502 HydrophobicContact CD1-CB 3.92Å
439Q88.8Confident89.8Confident67 Ų6745.6 Ų45.631%0.31322%0.223SC..THydrogen-bonded Turntrans-62.8-16.2174.4-58.7-44.4-59.100113.3H435 S478H435-Q439 PolarHBondContact CE1-NE2 2.77Å; H435-Q439 WeakPolarHBondContact O-CG 3.42Å; H435-Q439 PolarHBondContact O-N 3.34Å; Q439-S478 PolarHBondContact NE2-OG 3.19Å; Q439-S478 VanDerWaalsContact OE1-CB 3.28Å; Q439-S478 PolarHBondContact OE1-OG 2.93Å
440R88.6Confident90Very high159 Ų15945.4 Ų45.460%0.622%0.222SC*.THydrogen-bonded Turntrans-99.9-2.8179.3-62.5165.7-169.4138.17.1113.2E436 D437 L438E436-R440 WeakPolarHBondContact O-CD 3.31Å; E436-R440 WeakPolarHBondContact O-CG 3.24Å; E436-R440 PolarHBondContact O-NE 3.17Å; E436-R440 IonicContact OE2-CZ 2.62Å; E436-R440 IonicContact OE2-NH1 2.78Å; E436-R440 PolarHBondContact OE2-NH1 2.82Å; E436-R440 IonicContact OE2-NH2 2.79Å; E436-R440 PolarHBondContact OE2-NH2 3.3Å; D437-R440 WeakPolarHBondContact O-CB 3.23Å; D437-R440 PolarHBondContact O-N 2.62Å; D437-R440 IonicContact OD1-CZ 2.93Å; D437-R440 IonicContact OD1-NH1 3.23Å; D437-R440 PolarHBondContact OD1-NH1 3.49Å; L438-R440 PolarHBondContact O-N 3.47Å; L438-R440 VanDerWaalsContact O-N 3.14Å
441R86.8Confident90.2Very high38 Ų3845.2 Ų45.214%0.14322%0.22CC..SBendtrans-84.1140.7-177.8-55.2-152.871.1-157.6-2.9111.3D437 L438 R446 G447 P502 D527 A530D437-R441 WeakPolarHBondContact O-CG 3.46Å; D437-R441 PolarHBondContact O-N 2.99Å; L438-R441 PolarHBondContact O-N 3.47Å; L438-R441 VanDerWaalsContact O-N 3.16Å; R441-R446 PolarHBondContact NH1-O 2.88Å; R441-G447 PolarHBondContact NH1-O 3.5Å; R441-P502 HydrophobicContact CB-CB 4.24Å; R441-D527 IonicContact NH2-OD2 2.93Å; R441-D527 PolarHBondContact NH2-OD2 3.27Å; R441-A530 VanDerWaalsContact CZ-CB 3.42Å; R441-A530 VanDerWaalsContact NH2-CB 3.28Å
442P81.9Confident90.3Very high88 Ų8845.2 Ų45.257%0.57122%0.22SC*.  trans-72.4153170.131.9-35.2000110.9V444 G445P442-V444 PolarHBondContact O-N 3.08Å; P442-V444 VanDerWaalsContact O-N 3.1Å; P442-G445 WeakPolarHBondContact O-CA 3.4Å; P442-G445 PolarHBondContact O-N 3.42Å
443D78.4Confident90.6Very high130 Ų13044.5 Ų44.570%0.69522%0.217SC*.THydrogen-bonded Turntrans-59.2-24.9-179.3-52.9-15.1000114.3F480D443-F480 HydrophobicContact CB-CZ 4.39Å
444V80.2Confident90.8Very high137 Ų13740.6 Ų40.683%0.8320%0.203SC*.THydrogen-bonded Turntrans-83.8-1.3176.8-161.60000111.9P442P442-V444 PolarHBondContact O-N 3.08Å; P442-V444 VanDerWaalsContact O-N 3.1Å
445G82.9Confident90.6Very high9 Ų941 Ų419%0.09321%0.205CC..  trans-67.6165.5170.100000112.3P442 P502P442-G445 WeakPolarHBondContact O-CA 3.4Å; P442-G445 PolarHBondContact O-N 3.42Å; G445-P502 WeakPolarHBondContact O-CD 3.4Å; G445-P502 WeakPolarHBondContact O-CG 3.11Å
446R89.7Confident90.4Very high95 Ų9543.5 Ų43.536%0.35822%0.219SC..  trans-150.7161.8-178.566-163.9-173.7-88.3-3.6112.1R441 K500 K501 G523 D527R441-R446 PolarHBondContact NH1-O 2.88Å; R446-K500 WeakPolarHBondContact CB-O 3.42Å; R446-K501 CarbonylContact C-O 3.53Å; R446-K501 WeakPolarHBondContact CA-O 3.38Å; R446-G523 VanDerWaalsContact CZ-O 3.32Å; R446-G523 PolarHBondContact NE-O 3.02Å; R446-G523 PolarHBondContact NH2-O 3.22Å; R446-D527 HydrophobicContact CG-CB 4.31Å
447G92.8Very high90.4Very high0 Ų044.4 Ų44.40%022%0.223CC..EExtended strand (participates in β ladder)trans69.8176.2179.900000114.4R441 L499 K501 V503 I525R441-G447 PolarHBondContact NH1-O 3.5Å; G447-L499 WeakPolarHBondContact CA-O 3.26Å; G447-L499 PolarHBondContact N-O 2.86Å; G447-K501 PolarHBondContact N-O 3.03Å; G447-K501 VanDerWaalsContact N-O 3.1Å; G447-V503 PolarHBondContact O-N 2.89Å; G447-V503 VanDerWaalsContact O-N 3.12Å; G447-I525 WeakPolarHBondContact CA-O 3.34Å
448P95.4Very high90.4Very high0 Ų045 Ų450%024%0.238CC..EExtended strand (participates in β ladder)trans-79.1153.6-176.533.8-32.9000111.8C450 I451 V503 L506 F526 V531P448-C450 WeakPolarHBondContact CB-O 3.37Å; P448-I451 HydrophobicContact CG-CD1 4.42Å; P448-I451 HydrophobicContact CG-CG1 3.78Å; P448-V503 CarbonylContact C-O 3.53Å; P448-V503 WeakPolarHBondContact CA-O 3.44Å; P448-V503 HydrophobicContact CB-CG1 4.45Å; P448-L506 HydrophobicContact CB-CB 3.77Å; P448-L506 HydrophobicContact CG-CB 3.9Å; P448-L506 HydrophobicContact CG-CD2 4.4Å; P448-F526 HydrophobicContact CG-CD1 4.1Å; P448-F526 HydrophobicContact CG-CE1 3.97Å; P448-V531 WeakPolarHBondContact O-CG2 3.49Å
449T94.8Very high90.3Very high2 Ų246.9 Ų46.91%0.01225%0.247CC..EExtended strand (participates in β ladder)trans-80.6-31.8168.6-54.80000111D437 V503 G504 V531 K532D437-T449 HydrophobicContact CB-CG2 3.66Å; T449-V503 PolarHBondContact N-O 3.38Å; T449-V503 PolarHBondContact OG1-O 3.1Å; T449-V503 VanDerWaalsContact OG1-O 3.11Å; T449-G504 WeakPolarHBondContact CA-O 3.4Å; T449-G504 WeakPolarHBondContact CB-O 3.38Å; T449-G504 PolarHBondContact N-O 3.42Å; T449-V531 WeakPolarHBondContact O-CA 3.31Å; T449-K532 HydrophobicContact CG2-CG 4.27Å; T449-K532 PolarHBondContact O-N 3.28Å
450C96.7Very high90.5Very high1 Ų143.7 Ų43.71%0.00723%0.232CC..EExtended strand (participates in β ladder)trans-134.2139.5174.5-178.90000111.7V430 P448 G504 I505 L506 C533V430-C450 HydrophobicContact CG1-CB 4.41Å; V430-C450 VanDerWaalsContact CG1-SG 3.56Å; P448-C450 WeakPolarHBondContact CB-O 3.37Å; C450-G504 PolarHBondContact N-O 2.91Å; C450-I505 HydrophobicContact CB-CG1 4.27Å; C450-I505 CarbonylContact O-C 3.58Å; C450-I505 WeakPolarHBondContact O-CA 3.5Å; C450-L506 PolarHBondContact O-N 2.84Å; C450-C533 VanDerWaalsContact CA-O 3.29Å; C450-C533 WeakPolarHBondContact CA-O 3.44Å; C450-C533 HydrophobicContact CB-CB 4.2Å; C450-C533 PolarHBondContact SG-O 3.24Å; C450-C533 VanDerWaalsContact SG-O 3.39Å
451I97.8Very high90.8Very high1 Ų140.5 Ų40.51%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-106.5128169.7-54.8174000108.4P448 V453 L513 F526 V531 C533 I534 A535 F561P448-I451 HydrophobicContact CG-CD1 4.42Å; P448-I451 HydrophobicContact CG-CG1 3.78Å; I451-V453 HydrophobicContact CG2-CG2 4.14Å; I451-L513 HydrophobicContact CG2-CD1 4.08Å; I451-L513 HydrophobicContact CG2-CD2 3.81Å; I451-F526 HydrophobicContact CD1-CD1 3.97Å; I451-F526 HydrophobicContact CD1-CE1 3.72Å; I451-F526 HydrophobicContact CG1-CE1 4.36Å; I451-V531 HydrophobicContact CD1-CG1 4.26Å; I451-V531 HydrophobicContact CD1-CG2 4.18Å; I451-V531 HydrophobicContact CG1-CG1 4.21Å; I451-V531 HydrophobicContact CG1-CG2 4.4Å; I451-C533 PolarHBondContact N-O 2.88Å; I451-I534 HydrophobicContact CB-CG1 4.3Å; I451-I534 CarbonylContact O-C 3.57Å; I451-I534 VanDerWaalsContact O-CA 3.31Å; I451-I534 WeakPolarHBondContact O-CA 3.42Å; I451-A535 PolarHBondContact O-N 3.44Å; I451-F561 HydrophobicContact CD1-CE1 4.37Å; I451-F561 HydrophobicContact CD1-CE2 4.19Å; I451-F561 HydrophobicContact CD1-CZ 3.73Å
452F98.3Very high91.1Very high0 Ų043.6 Ų43.60%024%0.239CC..EExtended strand (participates in β ladder)trans-120.9120.9178.1-157.1-63.9000109.3T423 Y426 L427 V430 I463 M467 I505 L506 L507 T508 A535 D537T423-F452 HydrophobicContact CG2-CZ 4Å; Y426-F452 HydrophobicContact CD2-CE2 4.5Å; Y426-F452 AromaticContact CE2-CE2 3.82Å; Y426-F452 HydrophobicContact CE2-CE2 3.82Å; Y426-F452 AromaticContact CE2-CZ 3.88Å; Y426-F452 HydrophobicContact CE2-CZ 3.88Å; L427-F452 HydrophobicContact CD1-CE2 3.97Å; V430-F452 HydrophobicContact CG1-CD2 4.46Å; F452-I463 HydrophobicContact CD1-CG2 4.49Å; F452-I463 HydrophobicContact CE1-CD1 3.83Å; F452-I463 HydrophobicContact CE1-CG2 4.1Å; F452-I463 HydrophobicContact CE2-CG2 4.49Å; F452-I463 HydrophobicContact CZ-CD1 4.27Å; F452-I463 HydrophobicContact CZ-CG2 4.09Å; F452-M467 HydrophobicContact CB-CE 4.02Å; F452-M467 HydrophobicContact CD1-CE 4.39Å; F452-M467 HydrophobicContact CD2-CE 3.27Å; F452-M467 HydrophobicContact CE2-CE 3.77Å; F452-M467 HydrophobicContact CG-CE 3.64Å; F452-I505 HydrophobicContact CB-CG2 4Å; F452-L506 PolarHBondContact N-O 3.16Å; F452-L507 HydrophobicContact CB-CB 4.39Å; F452-L507 HydrophobicContact CB-CD1 3.88Å; F452-L507 HydrophobicContact CD1-CD1 3.52Å; F452-L507 HydrophobicContact CE1-CD1 4.39Å; F452-L507 HydrophobicContact CG-CD1 3.94Å; F452-L507 WeakPolarHBondContact O-CA 3.46Å; F452-T508 PolarHBondContact O-N 3.38Å; F452-A535 HydrophobicContact CD1-CB 4.41Å; F452-A535 HydrophobicContact CD2-CB 3.56Å; F452-A535 HydrophobicContact CE2-CB 3.74Å; F452-A535 HydrophobicContact CG-CB 3.93Å; F452-A535 HydrophobicContact CZ-CB 4.22Å; F452-D537 HydrophobicContact CE1-CB 3.73Å; F452-D537 HydrophobicContact CZ-CB 4.04Å
453V98.1Very high91.8Very high0 Ų039.6 Ų39.60%021%0.213CC..EExtended strand (participates in β ladder)trans-114.7132.8-179.3-164.20000109I451 T508 V510 L513 A535 L536 D537 M542I451-V453 HydrophobicContact CG2-CG2 4.14Å; V453-T508 WeakPolarHBondContact CA-O 3.49Å; V453-V510 HydrophobicContact CG1-CG2 3.83Å; V453-L513 HydrophobicContact CG2-CD2 3.55Å; V453-A535 PolarHBondContact N-O 3.46Å; V453-L536 HydrophobicContact CB-CD2 3.87Å; V453-L536 HydrophobicContact CG2-CD2 3.82Å; V453-D537 PolarHBondContact O-N 2.85Å; V453-M542 VanDerWaalsContact C-CE 3.45Å; V453-M542 HydrophobicContact CB-CE 3.86Å; V453-M542 HydrophobicContact CG1-CE 3.78Å; V453-M542 HydrophobicContact CG1-SD 4.29Å; V453-M542 WeakPolarHBondContact O-CE 3.39Å
454C95.4Very high92.6Very high0 Ų035.8 Ų35.80%019%0.191CC..  trans-133.5166.817268.20000111.4N456 G460 I463 W487 T508C454-N456 PolarHBondContact O-N 3Å; C454-N456 PolarHBondContact SG-O 3.39Å; C454-G460 WeakPolarHBondContact SG-CA 3.43Å; C454-G460 PolarHBondContact SG-N 3.49Å; C454-I463 HydrophobicContact CB-CD1 4.22Å; C454-W487 VanDerWaalsContact SG-CH2 3.52Å; C454-T508 PolarHBondContact N-O 2.95Å
455P90.1Very high93.2Very high12 Ų1238.1 Ų38.18%0.07819%0.185CC..SBendtrans-74.2-20.1-167.1-16.631.5000115.1Q459 D537 N538 D541 M542P455-Q459 VanDerWaalsContact CD-OE1 3.24Å; P455-D537 WeakPolarHBondContact CD-O 3.49Å; P455-N538 HydrophobicContact CG-CB 3.93Å; P455-D541 HydrophobicContact CB-CB 3.71Å; P455-D541 HydrophobicContact CG-CB 3.51Å; P455-M542 HydrophobicContact CB-CG 4.26Å; P455-M542 HydrophobicContact CG-CG 4.13Å
456N88.4Confident93.8Very high70 Ų7040.6 Ų40.637%0.37419%0.191SC..SBendtrans-164.1163.4-18055.971.8000111.9C454 G458 Q459 G460C454-N456 PolarHBondContact O-N 3Å; C454-N456 PolarHBondContact SG-O 3.39Å; N456-G458 PolarHBondContact O-N 3.05Å; N456-G458 WeakPolarHBondContact OD1-CA 3.47Å; N456-G458 PolarHBondContact OD1-N 3.18Å; N456-G458 VanDerWaalsContact OD1-N 3.11Å; N456-Q459 PolarHBondContact O-N 3.18Å; N456-Q459 PolarHBondContact OD1-N 2.9Å; N456-G460 PolarHBondContact O-N 2.75Å
457Q90.6Very high94.1Very high83 Ų8336.1 Ų36.139%0.38817%0.174SC..Hα-helixtrans-57.1-31.8177.1-175.6-168.783.300113.4G460 K461 W487Q457-G460 CarbonylContact O-C 3.29Å; Q457-G460 WeakPolarHBondContact O-CA 3.26Å; Q457-G460 PolarHBondContact O-N 2.75Å; Q457-K461 VanDerWaalsContact CD-CE 3.46Å; Q457-K461 VanDerWaalsContact CD-NZ 3.3Å; Q457-K461 HydrophobicContact CG-CD 3.91Å; Q457-K461 HydrophobicContact CG-CG 4.12Å; Q457-K461 WeakPolarHBondContact O-CB 3.39Å; Q457-K461 WeakPolarHBondContact O-CG 3.41Å; Q457-K461 PolarHBondContact O-N 3.37Å; Q457-W487 HydrophobicContact CB-CB 4.37Å; Q457-W487 HydrophobicContact CB-CD2 4.06Å; Q457-W487 HydrophobicContact CB-CE3 4.03Å; Q457-W487 HydrophobicContact CB-CG 4.22Å; Q457-W487 HydrophobicContact CG-CB 3.91Å; Q457-W487 HydrophobicContact CG-CD2 3.84Å; Q457-W487 HydrophobicContact CG-CE3 4.35Å; Q457-W487 HydrophobicContact CG-CG 3.63Å
458G90.5Very high94Very high52 Ų5239.1 Ų39.154%0.53620%0.195SC..Hα-helixtrans-64.4-48.1-179.200000112.7N456 G460 Q462N456-G458 PolarHBondContact O-N 3.05Å; N456-G458 WeakPolarHBondContact OD1-CA 3.47Å; N456-G458 PolarHBondContact OD1-N 3.18Å; N456-G458 VanDerWaalsContact OD1-N 3.11Å; G458-G460 VanDerWaalsContact C-N 3.33Å; G458-Q462 PolarHBondContact O-N 3.42Å
459Q89.4Confident93.8Very high40 Ų4041.8 Ų41.819%0.18721%0.212CC..Hα-helixtrans-65.7-38.8170.4-65.7-174.41900111P455 N456 Q462 I463 N538P455-Q459 VanDerWaalsContact CD-OE1 3.24Å; N456-Q459 PolarHBondContact O-N 3.18Å; N456-Q459 PolarHBondContact OD1-N 2.9Å; Q459-Q462 WeakPolarHBondContact O-CB 3.28Å; Q459-Q462 PolarHBondContact O-N 3.45Å; Q459-I463 WeakPolarHBondContact O-CG1 3.28Å; Q459-I463 PolarHBondContact O-N 3.23Å; Q459-N538 PolarHBondContact OE1-ND2 3.05Å; Q459-N538 VanDerWaalsContact OE1-ND2 3.1Å
460G94Very high93.8Very high0 Ų041.7 Ų41.70%021%0.211CC..Hα-helixtrans-53.7-55.7176.100000113.7C454 N456 Q457 G458 Q462 I463 E464 W487C454-G460 WeakPolarHBondContact SG-CA 3.43Å; C454-G460 PolarHBondContact SG-N 3.49Å; N456-G460 PolarHBondContact O-N 2.75Å; Q457-G460 CarbonylContact O-C 3.29Å; Q457-G460 WeakPolarHBondContact O-CA 3.26Å; Q457-G460 PolarHBondContact O-N 2.75Å; G458-G460 VanDerWaalsContact C-N 3.33Å; G460-Q462 PolarHBondContact O-N 2.99Å; G460-I463 PolarHBondContact O-N 3.12Å; G460-E464 WeakPolarHBondContact O-CB 3.38Å; G460-E464 PolarHBondContact O-N 3.09Å; G460-W487 VanDerWaalsContact CA-CH2 3.47Å; G460-W487 VanDerWaalsContact CA-CZ2 3.4Å
461K94Very high93.5Very high92 Ų9242.1 Ų42.140%0.421%0.213SC..Hα-helixtrans-59.6-28.3177.3-76.3173170.21700113.3Q457 R465Q457-K461 VanDerWaalsContact CD-CE 3.46Å; Q457-K461 VanDerWaalsContact CD-NZ 3.3Å; Q457-K461 HydrophobicContact CG-CD 3.91Å; Q457-K461 HydrophobicContact CG-CG 4.12Å; Q457-K461 WeakPolarHBondContact O-CB 3.39Å; Q457-K461 WeakPolarHBondContact O-CG 3.41Å; Q457-K461 PolarHBondContact O-N 3.37Å; K461-R465 WeakPolarHBondContact O-CD 3.48Å; K461-R465 VanDerWaalsContact O-CG 3.29Å; K461-R465 WeakPolarHBondContact O-CG 3.25Å; K461-R465 PolarHBondContact O-N 2.73Å
462Q93.6Very high93Very high104 Ų10446.7 Ų46.749%0.48624%0.244SC..Hα-helixtrans-73.4-42.5173-175.5173.54500111.8G458 Q459 G460 R465 W466G458-Q462 PolarHBondContact O-N 3.42Å; Q459-Q462 WeakPolarHBondContact O-CB 3.28Å; Q459-Q462 PolarHBondContact O-N 3.45Å; G460-Q462 PolarHBondContact O-N 2.99Å; Q462-R465 PolarHBondContact O-N 3.29Å; Q462-W466 HydrophobicContact CG-CD2 4.43Å; Q462-W466 HydrophobicContact CG-CH2 3.77Å; Q462-W466 HydrophobicContact CG-CZ2 3.58Å; Q462-W466 HydrophobicContact CG-CZ3 4.29Å; Q462-W466 PolarHBondContact O-N 2.79Å
463I95.7Very high92.2Very high4 Ų449.9 Ų49.92%0.02126%0.261CS..Hα-helixtrans-68.9-40.5178.3-65.9169.7000110.9T423 L427 F452 C454 Q459 G460 R465 W466 M467 L507T423-I463 HydrophobicContact CG2-CD1 4.15Å; T423-I463 HydrophobicContact CG2-CG1 4.18Å; L427-I463 HydrophobicContact CD1-CG2 4.31Å; F452-I463 HydrophobicContact CD1-CG2 4.49Å; F452-I463 HydrophobicContact CE1-CD1 3.83Å; F452-I463 HydrophobicContact CE1-CG2 4.1Å; F452-I463 HydrophobicContact CE2-CG2 4.49Å; F452-I463 HydrophobicContact CZ-CD1 4.27Å; F452-I463 HydrophobicContact CZ-CG2 4.09Å; C454-I463 HydrophobicContact CB-CD1 4.22Å; Q459-I463 WeakPolarHBondContact O-CG1 3.28Å; Q459-I463 PolarHBondContact O-N 3.23Å; G460-I463 PolarHBondContact O-N 3.12Å; I463-R465 PolarHBondContact O-N 2.92Å; I463-W466 HydrophobicContact CG1-CE3 4.11Å; I463-W466 HydrophobicContact CG1-CZ3 4.06Å; I463-W466 PolarHBondContact O-N 3.29Å; I463-W466 VanDerWaalsContact O-N 3.13Å; I463-M467 HydrophobicContact CG2-CE 3.66Å; I463-M467 HydrophobicContact CG2-CG 4.31Å; I463-M467 HydrophobicContact CG2-SD 4.14Å; I463-M467 WeakPolarHBondContact O-CG 3.38Å; I463-M467 PolarHBondContact O-N 3.49Å; I463-L507 HydrophobicContact CB-CD2 4.49Å; I463-L507 HydrophobicContact CG2-CD1 4.38Å; I463-L507 HydrophobicContact CG2-CD2 4.27Å
464E95.6Very high91.5Very high49 Ų4951.8 Ų51.823%0.22927%0.271CS..Hα-helixtrans-53.1-49.1172.8-177.9173.3-149.600111.5G460 W466 M467 S468 T485 L507G460-E464 WeakPolarHBondContact O-CB 3.38Å; G460-E464 PolarHBondContact O-N 3.09Å; E464-W466 PolarHBondContact O-N 2.9Å; E464-M467 PolarHBondContact O-N 2.78Å; E464-S468 PolarHBondContact O-N 3.06Å; E464-S468 PolarHBondContact O-OG 3.12Å; E464-T485 HydrophobicContact CB-CG2 4.43Å; E464-T485 VanDerWaalsContact CD-CG2 3.45Å; E464-T485 HydrophobicContact CG-CG2 3.86Å; E464-T485 WeakPolarHBondContact OE1-CB 3.26Å; E464-T485 WeakPolarHBondContact OE1-CG2 3.43Å; E464-T485 PolarHBondContact OE1-OG1 2.94Å; E464-L507 HydrophobicContact CB-CD2 3.9Å
465R94Very high90.4Very high187 Ų18753.5 Ų53.571%0.70629%0.288SS*.Hα-helixtrans-57.7-44.8175-71.4168.5-176.4-169.8-0.2112.1K461 Q462 I463 T469K461-R465 WeakPolarHBondContact O-CD 3.48Å; K461-R465 VanDerWaalsContact O-CG 3.29Å; K461-R465 WeakPolarHBondContact O-CG 3.25Å; K461-R465 PolarHBondContact O-N 2.73Å; Q462-R465 PolarHBondContact O-N 3.29Å; I463-R465 PolarHBondContact O-N 2.92Å; R465-T469 PolarHBondContact O-N 2.62Å; R465-T469 VanDerWaalsContact O-N 3.13Å; R465-T469 PolarHBondContact O-OG1 3.16Å; R465-T469 VanDerWaalsContact O-OG1 3.07Å
466W94.8Very high89.2Confident61 Ų6156.2 Ų56.223%0.23131%0.308CS..Hα-helixtrans-66.1-40.5176.8-62.1-29.2000112.7T423 W424 L427 Q462 I463 E464 T469 L470T423-W466 HydrophobicContact CG2-CZ3 4.32Å; W424-W466 HydrophobicContact CH2-CB 4.14Å; W424-W466 HydrophobicContact CH2-CG 4.29Å; W424-W466 HydrophobicContact CZ2-CB 3.86Å; W424-W466 AromaticContact CZ2-CD1 3.8Å; W424-W466 AromaticContact CZ2-CD2 3.76Å; W424-W466 HydrophobicContact CZ2-CD2 3.76Å; W424-W466 HydrophobicContact CZ2-CE3 4.33Å; W424-W466 AromaticContact CZ2-CG 3.54Å; W424-W466 HydrophobicContact CZ2-CG 3.54Å; W424-W466 AromaticContact NE1-CD2 3.85Å; W424-W466 AromaticContact NE1-CE2 3.87Å; W424-W466 AromaticContact NE1-CE3 3.86Å; W424-W466 AromaticContact NE1-CH2 3.98Å; W424-W466 AromaticContact NE1-CZ2 3.93Å; W424-W466 AromaticContact NE1-CZ3 3.94Å; L427-W466 HydrophobicContact CD2-CB 3.8Å; L427-W466 HydrophobicContact CD2-CE3 4Å; Q462-W466 HydrophobicContact CG-CD2 4.43Å; Q462-W466 HydrophobicContact CG-CH2 3.77Å; Q462-W466 HydrophobicContact CG-CZ2 3.58Å; Q462-W466 HydrophobicContact CG-CZ3 4.29Å; Q462-W466 PolarHBondContact O-N 2.79Å; I463-W466 HydrophobicContact CG1-CE3 4.11Å; I463-W466 HydrophobicContact CG1-CZ3 4.06Å; I463-W466 PolarHBondContact O-N 3.29Å; I463-W466 VanDerWaalsContact O-N 3.13Å; E464-W466 PolarHBondContact O-N 2.9Å; W466-T469 PolarHBondContact O-N 2.97Å; W466-L470 VanDerWaalsContact O-CG 3.28Å; W466-L470 WeakPolarHBondContact O-CG 3.23Å; W466-L470 PolarHBondContact O-N 2.85Å
467M95.4Very high87.9Confident0 Ų057.4 Ų57.40%033%0.327CS..Hα-helixtrans-59.3-51.6174.7-73.1177.3171.100110.6L427 F452 I463 E464 T469 L470 L471 V483 I505 L507L427-M467 HydrophobicContact CD1-CE 3.64Å; L427-M467 HydrophobicContact CD1-CG 3.81Å; F452-M467 HydrophobicContact CB-CE 4.02Å; F452-M467 HydrophobicContact CD1-CE 4.39Å; F452-M467 HydrophobicContact CD2-CE 3.27Å; F452-M467 HydrophobicContact CE2-CE 3.77Å; F452-M467 HydrophobicContact CG-CE 3.64Å; I463-M467 HydrophobicContact CG2-CE 3.66Å; I463-M467 HydrophobicContact CG2-CG 4.31Å; I463-M467 HydrophobicContact CG2-SD 4.14Å; I463-M467 WeakPolarHBondContact O-CG 3.38Å; I463-M467 PolarHBondContact O-N 3.49Å; E464-M467 PolarHBondContact O-N 2.78Å; M467-T469 VanDerWaalsContact C-N 3.31Å; M467-T469 PolarHBondContact O-N 2.96Å; M467-L470 PolarHBondContact O-N 3.3Å; M467-L471 HydrophobicContact CB-CD1 4.14Å; M467-L471 WeakPolarHBondContact O-CB 3.38Å; M467-L471 WeakPolarHBondContact O-CD1 3.3Å; M467-L471 VanDerWaalsContact O-CG 3.25Å; M467-L471 WeakPolarHBondContact O-CG 3.21Å; M467-L471 PolarHBondContact O-N 2.58Å; M467-V483 HydrophobicContact CB-CG2 4.18Å; M467-V483 HydrophobicContact SD-CG1 4.41Å; M467-I505 HydrophobicContact CE-CD1 4.03Å; M467-I505 HydrophobicContact CE-CG2 3.89Å; M467-I505 HydrophobicContact CG-CD1 4.28Å; M467-I505 HydrophobicContact SD-CD1 3.89Å; M467-I505 HydrophobicContact SD-CG2 4.05Å; M467-L507 HydrophobicContact SD-CD2 3.97Å
468S92.2Very high86.6Confident63 Ų6354.7 Ų54.744%0.44132%0.318SS..Hα-helixtrans-58.6-38.9179.3-61.20000112.6E464 C472E464-S468 PolarHBondContact O-N 3.06Å; E464-S468 PolarHBondContact O-OG 3.12Å; S468-C472 WeakPolarHBondContact O-CB 3.13Å; S468-C472 PolarHBondContact O-N 3.47Å
469T91.3Very high85.8Confident56 Ų5656 Ų5634%0.34433%0.33SS..Hα-helixtrans-69-36.2174.6-49.70000113.1M388 R465 W466 M467M388-T469 HydrophobicContact CE-CG2 3.77Å; M388-T469 HydrophobicContact CG-CG2 3.87Å; M388-T469 HydrophobicContact SD-CG2 3.7Å; R465-T469 PolarHBondContact O-N 2.62Å; R465-T469 VanDerWaalsContact O-N 3.13Å; R465-T469 PolarHBondContact O-OG1 3.16Å; R465-T469 VanDerWaalsContact O-OG1 3.07Å; W466-T469 PolarHBondContact O-N 2.97Å; M467-T469 VanDerWaalsContact C-N 3.31Å; M467-T469 PolarHBondContact O-N 2.96Å
470L93.3Very high85.6Confident0 Ų055.6 Ų55.60%033%0.328CS..Hα-helixtrans-68.5-41.4175.8-71.2167.7000112.3I381 A384 M385 M388 W424 L427 C431 W466 M467I381-L470 HydrophobicContact CD1-CB 3.98Å; I381-L470 HydrophobicContact CD1-CD2 4.02Å; I381-L470 WeakPolarHBondContact CD1-O 3.36Å; I381-L470 HydrophobicContact CG2-CD2 4.25Å; A384-L470 HydrophobicContact CB-CD2 4.01Å; M385-L470 HydrophobicContact CG-CD2 3.98Å; M388-L470 HydrophobicContact CE-CD2 3.75Å; M388-L470 HydrophobicContact CE-CG 3.92Å; W424-L470 HydrophobicContact CH2-CD1 4.21Å; W424-L470 HydrophobicContact CH2-CG 4.47Å; W424-L470 HydrophobicContact CZ3-CD1 4.03Å; W424-L470 HydrophobicContact CZ3-CD2 4.22Å; W424-L470 HydrophobicContact CZ3-CG 4.49Å; L427-L470 HydrophobicContact CD2-CD1 4.18Å; L427-L470 HydrophobicContact CG-CD1 3.88Å; C431-L470 HydrophobicContact CB-CB 3.87Å; C431-L470 HydrophobicContact CB-CD1 4.11Å; C431-L470 VanDerWaalsContact SG-CD1 3.55Å; W466-L470 VanDerWaalsContact O-CG 3.28Å; W466-L470 WeakPolarHBondContact O-CG 3.23Å; W466-L470 PolarHBondContact O-N 2.85Å; M467-L470 PolarHBondContact O-N 3.3Å
471L91.6Very high85.4Confident10 Ų1059.1 Ų59.15%0.05235%0.345CS..Hα-helixtrans-80-39.1-174.2-66.4161000112C431 H435 M467 L473 L474 D482 V483 I505C431-L471 HydrophobicContact CB-CD2 3.89Å; C431-L471 HydrophobicContact CB-CG 4.06Å; C431-L471 WeakPolarHBondContact O-CD2 3.35Å; H435-L471 HydrophobicContact CB-CD2 3.85Å; M467-L471 HydrophobicContact CB-CD1 4.14Å; M467-L471 WeakPolarHBondContact O-CB 3.38Å; M467-L471 WeakPolarHBondContact O-CD1 3.3Å; M467-L471 VanDerWaalsContact O-CG 3.25Å; M467-L471 WeakPolarHBondContact O-CG 3.21Å; M467-L471 PolarHBondContact O-N 2.58Å; L471-L473 PolarHBondContact O-N 3.47Å; L471-L473 VanDerWaalsContact O-N 3.14Å; L471-L474 HydrophobicContact CD2-CD1 4.34Å; L471-L474 WeakPolarHBondContact O-CB 3.15Å; L471-L474 PolarHBondContact O-N 2.71Å; L471-D482 HydrophobicContact CD1-CB 4.23Å; L471-V483 HydrophobicContact CD1-CG2 3.35Å; L471-I505 HydrophobicContact CD1-CD1 4.26Å
472C87.1Confident85.3Confident98 Ų9856 Ų5666%0.66233%0.333SS*.Hα-helixtrans-53.3-37.8179.4179.20000113.3S468 L474 G475S468-C472 WeakPolarHBondContact O-CB 3.13Å; S468-C472 PolarHBondContact O-N 3.47Å; C472-L474 VanDerWaalsContact C-N 3.34Å; C472-L474 PolarHBondContact O-N 2.95Å; C472-G475 PolarHBondContact O-N 3.3Å
473L81.8Confident85.3Confident67 Ų6752.4 Ų52.435%0.35132%0.318SS..THydrogen-bonded Turntrans-76.2-16.6178.4-59.8-161.4000114.6I380 A384 L471 G475I380-L473 VanDerWaalsContact CG2-C 3.47Å; I380-L473 HydrophobicContact CG2-CB 3.66Å; I380-L473 WeakPolarHBondContact CG2-O 3.43Å; A384-L473 HydrophobicContact CB-CD1 3.78Å; A384-L473 HydrophobicContact CB-CG 4.28Å; L471-L473 PolarHBondContact O-N 3.47Å; L471-L473 VanDerWaalsContact O-N 3.14Å; L473-G475 VanDerWaalsContact C-N 3.28Å
474L83.3Confident85.3Confident40 Ų4052.2 Ų52.221%0.20932%0.317CS..THydrogen-bonded Turntrans-76.2-20.7171.4-64.3171.8000111.7I380 I381 H435 L471 C472I380-L474 HydrophobicContact CB-CD2 4.13Å; I380-L474 HydrophobicContact CD1-CD2 4.32Å; I380-L474 HydrophobicContact CG2-CD2 3.87Å; I380-L474 HydrophobicContact CG2-CG 4.39Å; I381-L474 HydrophobicContact CD1-CD1 4.17Å; I381-L474 HydrophobicContact CD1-CG 4.39Å; I381-L474 HydrophobicContact CG1-CD2 4.23Å; H435-L474 HydrophobicContact CB-CD1 3.79Å; L471-L474 HydrophobicContact CD2-CD1 4.34Å; L471-L474 WeakPolarHBondContact O-CB 3.15Å; L471-L474 PolarHBondContact O-N 2.71Å; C472-L474 VanDerWaalsContact C-N 3.34Å; C472-L474 PolarHBondContact O-N 2.95Å
475G72.3Confident85.4Confident35 Ų3551.2 Ų51.236%0.36131%0.314SS..  trans78.6-175.2-168.400000111.9H435 C472 L473H435-G475 PolarHBondContact CE1-O 2.89Å; C472-G475 PolarHBondContact O-N 3.3Å; L473-G475 VanDerWaalsContact C-N 3.28Å
476S65Low85.4Confident69 Ų6942.3 Ų42.348%0.48328%0.28SS..  trans-145111.7171.5-162.30000109.1D482S476-D482 WeakPolarHBondContact CB-OD2 3.33Å; S476-D482 PolarHBondContact OG-OD2 3.29Å
477A60.4Low85.4Confident95 Ų9541.1 Ų41.179%0.78528%0.276SS*.  trans-105.2-16.6-177.700000112.9
478S64.4Low85Confident27 Ų2744.1 Ų44.119%0.18929%0.292CS..SBendtrans-86.3-10.7-174.251.50000115.4Q439 F480Q439-S478 PolarHBondContact NE2-OG 3.19Å; Q439-S478 VanDerWaalsContact OE1-CB 3.28Å; Q439-S478 PolarHBondContact OE1-OG 2.93Å; S478-F480 PolarHBondContact O-N 2.89Å
479G72.5Confident84.7Confident78 Ų7846.2 Ų46.280%0.80429%0.293SS*.  trans654.1-176.200000115.7
480F85.1Confident84.5Confident33 Ų3348.9 Ų48.915%0.14531%0.309CS..SBendtrans-90.7161.5174.6-58.6-46000112.1L438 D443 S478 D482 P502L438-F480 HydrophobicContact CD1-CB 3.91Å; L438-F480 HydrophobicContact CD1-CD2 3.85Å; L438-F480 HydrophobicContact CD1-CG 4.24Å; L438-F480 HydrophobicContact CD2-CB 4.09Å; L438-F480 HydrophobicContact CG-CB 4.23Å; L438-F480 HydrophobicContact CG-CD2 4.3Å; D443-F480 HydrophobicContact CB-CZ 4.39Å; S478-F480 PolarHBondContact O-N 2.89Å; F480-D482 PolarHBondContact O-N 3.5Å; F480-P502 HydrophobicContact CD1-CB 4.33Å; F480-P502 HydrophobicContact CD1-CG 4.29Å; F480-P502 HydrophobicContact CD2-CB 3.85Å; F480-P502 HydrophobicContact CD2-CG 4.19Å; F480-P502 HydrophobicContact CE1-CB 4.49Å; F480-P502 HydrophobicContact CE1-CG 3.99Å; F480-P502 HydrophobicContact CE2-CB 4.03Å; F480-P502 HydrophobicContact CE2-CG 3.88Å; F480-P502 HydrophobicContact CG-CB 4.05Å; F480-P502 HydrophobicContact CG-CG 4.42Å; F480-P502 HydrophobicContact CZ-CB 4.38Å; F480-P502 HydrophobicContact CZ-CG 3.81Å
481E90.7Very high84.2Confident73 Ų7353.2 Ų53.234%0.34133%0.33SS..EExtended strand (participates in β ladder)trans-77113178.1-58.4-171.6-11000110.8V483 V484 R498 G504E481-V483 VanDerWaalsContact C-N 3.28Å; E481-V483 PolarHBondContact O-N 3.39Å; E481-V484 HydrophobicContact CB-CG2 3.93Å; E481-R498 WeakPolarHBondContact OE1-CG 3.28Å; E481-R498 IonicContact OE1-CZ 2.85Å; E481-R498 IonicContact OE1-NE 3.43Å; E481-R498 PolarHBondContact OE1-NE 3.44Å; E481-R498 IonicContact OE2-CZ 3.41Å; E481-R498 VanDerWaalsContact OE2-CZ 3.25Å; E481-R498 IonicContact OE2-NE 2.69Å; E481-R498 PolarHBondContact OE2-NE 3.4Å; E481-R498 IonicContact OE2-NH2 3.19Å; E481-R498 PolarHBondContact OE2-NH2 2.86Å; E481-G504 PolarHBondContact O-N 2.91Å
482D91.1Very high84.1Confident27 Ų2753.8 Ų53.814%0.14433%0.333CS..EExtended strand (participates in β ladder)trans-63.7-30.8176.3-73.2-83.7000112.7H435 L471 S476 F480 G504 I505H435-D482 IonicContact CE1-OD1 3.06Å; H435-D482 IonicContact CG-OD1 2.71Å; H435-D482 IonicContact ND1-OD1 3.83Å; H435-D482 PolarHBondContact ND1-OD1 2.79Å; L471-D482 HydrophobicContact CD1-CB 4.23Å; S476-D482 WeakPolarHBondContact CB-OD2 3.33Å; S476-D482 PolarHBondContact OG-OD2 3.29Å; F480-D482 PolarHBondContact O-N 3.5Å; D482-G504 CarbonylContact O-C 3.6Å; D482-G504 WeakPolarHBondContact O-CA 3.49Å; D482-I505 PolarHBondContact O-N 3.48Å
483V94.9Very high84.2Confident29 Ų2954.8 Ų54.818%0.17634%0.336CS..EExtended strand (participates in β ladder)trans-139.7131.2173.8-170.50000110.9M467 L471 E481 T485 I505M467-V483 HydrophobicContact CB-CG2 4.18Å; M467-V483 HydrophobicContact SD-CG1 4.41Å; L471-V483 HydrophobicContact CD1-CG2 3.35Å; E481-V483 VanDerWaalsContact C-N 3.28Å; E481-V483 PolarHBondContact O-N 3.39Å; V483-T485 HydrophobicContact CG1-CG2 3.89Å; V483-I505 CarbonylContact C-O 3.55Å; V483-I505 WeakPolarHBondContact CA-O 3.27Å; V483-I505 HydrophobicContact CG2-CB 4.48Å
484V95.6Very high84.7Confident0 Ų054.5 Ų54.50%033%0.334CS..EExtended strand (participates in β ladder)trans-115.8122.2166.2172.10000108.3E481 I495 R498 V503 I505 L506 L507E481-V484 HydrophobicContact CB-CG2 3.93Å; V484-I495 HydrophobicContact CG1-CD1 3.88Å; V484-I495 HydrophobicContact CG1-CG2 4.33Å; V484-R498 HydrophobicContact CG2-CB 4.5Å; V484-V503 HydrophobicContact CB-CG1 4.02Å; V484-V503 HydrophobicContact CG2-CB 4.45Å; V484-V503 HydrophobicContact CG2-CG1 3.62Å; V484-V503 HydrophobicContact CG2-CG2 3.89Å; V484-I505 PolarHBondContact N-O 3.03Å; V484-L506 HydrophobicContact CG1-CD1 4.35Å; V484-L506 WeakPolarHBondContact O-CA 3.49Å; V484-L507 PolarHBondContact O-N 2.99Å
485T96.4Very high85.2Confident27 Ų2752.6 Ų52.617%0.16632%0.324CS..EExtended strand (participates in β ladder)trans-103.7140.8176.557.60000111.7E464 V483 I495 L507E464-T485 HydrophobicContact CB-CG2 4.43Å; E464-T485 VanDerWaalsContact CD-CG2 3.45Å; E464-T485 HydrophobicContact CG-CG2 3.86Å; E464-T485 WeakPolarHBondContact OE1-CB 3.26Å; E464-T485 WeakPolarHBondContact OE1-CG2 3.43Å; E464-T485 PolarHBondContact OE1-OG1 2.94Å; V483-T485 HydrophobicContact CG1-CG2 3.89Å; T485-I495 WeakPolarHBondContact O-CD1 3.45Å; T485-L507 WeakPolarHBondContact CA-O 3.43Å; T485-L507 HydrophobicContact CG2-CB 4.09Å; T485-L507 HydrophobicContact CG2-CD2 4Å; T485-L507 HydrophobicContact CG2-CG 4.29Å
486H95.4Very high86.2Confident0 Ų052.4 Ų52.40%032%0.316CS..EExtended strand (participates in β ladder)trans-135.2111.6-179.6178.639.9000109.9D488 I495 L506 L507 T508 L512H486-D488 PolarHBondContact CE1-O 3.17Å; H486-D488 PolarHBondContact ND1-O 3.29Å; H486-I495 HydrophobicContact CB-CD1 4.3Å; H486-I495 HydrophobicContact CB-CG1 3.98Å; H486-I495 HydrophobicContact CB-CG2 4.09Å; H486-L506 HydrophobicContact CB-CD1 4.46Å; H486-L507 PolarHBondContact N-O 3.03Å; H486-T508 WeakPolarHBondContact O-CA 3.12Å; H486-T508 WeakPolarHBondContact O-CB 3.32Å; H486-T508 PolarHBondContact O-OG1 2.98Å; H486-L512 VanDerWaalsContact O-CD1 3.24Å; H486-L512 WeakPolarHBondContact O-CD1 3.3Å
487W92.9Very high87.5Confident36 Ų3656.2 Ų56.214%0.13632%0.32CS..  trans-130.5-5.3-174.2-56.9122.8000115.1C454 Q457 G460 L507 T508 L512C454-W487 VanDerWaalsContact SG-CH2 3.52Å; Q457-W487 HydrophobicContact CB-CB 4.37Å; Q457-W487 HydrophobicContact CB-CD2 4.06Å; Q457-W487 HydrophobicContact CB-CE3 4.03Å; Q457-W487 HydrophobicContact CB-CG 4.22Å; Q457-W487 HydrophobicContact CG-CB 3.91Å; Q457-W487 HydrophobicContact CG-CD2 3.84Å; Q457-W487 HydrophobicContact CG-CE3 4.35Å; Q457-W487 HydrophobicContact CG-CG 3.63Å; G460-W487 VanDerWaalsContact CA-CH2 3.47Å; G460-W487 VanDerWaalsContact CA-CZ2 3.4Å; W487-L507 HydrophobicContact CH2-CD1 4.15Å; W487-L507 HydrophobicContact CH2-CG 3.94Å; W487-L507 HydrophobicContact CZ2-CD1 4.39Å; W487-L507 HydrophobicContact CZ2-CD2 4.11Å; W487-L507 HydrophobicContact CZ2-CG 3.73Å; W487-T508 VanDerWaalsContact CZ3-C 3.41Å; W487-L512 VanDerWaalsContact C-CD1 3.43Å; W487-L512 VanDerWaalsContact CA-CD1 3.41Å
488D88.6Confident89Confident64 Ų6454.1 Ų54.134%0.34229%0.291SS..  trans-135.7137.5-178.8-179.48.4000110.3H486 T490 Q491H486-D488 PolarHBondContact CE1-O 3.17Å; H486-D488 PolarHBondContact ND1-O 3.29Å; D488-T490 VanDerWaalsContact C-N 3.31Å; D488-T490 VanDerWaalsContact CG-OG1 3.24Å; D488-T490 PolarHBondContact OD1-N 3.1Å; D488-T490 PolarHBondContact OD2-OG1 2.99Å; D488-Q491 HydrophobicContact CB-CG 4.13Å; D488-Q491 PolarHBondContact O-N 2.75Å
489K84.9Confident90.4Very high107 Ų10752.8 Ų52.847%0.46528%0.282SS..SBendtrans-70.2-26.3-179.9-63.5-175.9175.3164.80112.3Q491 L492 D511 L512K489-Q491 PolarHBondContact O-N 3.22Å; K489-L492 PolarHBondContact O-N 3.16Å; K489-D511 WeakPolarHBondContact CE-OD2 3.41Å; K489-D511 IonicContact NZ-OD2 3.51Å; K489-D511 PolarHBondContact NZ-OD2 2.82Å; K489-L512 HydrophobicContact CB-CD2 4.48Å; K489-L512 HydrophobicContact CD-CD2 4.22Å; K489-L512 HydrophobicContact CG-CD2 3.38Å
490T86.4Confident91.3Very high112 Ų11255.4 Ų55.469%0.68727%0.272SS*.THydrogen-bonded Turntrans-62.4-34.3173.873.30000111.6D488 L492D488-T490 VanDerWaalsContact C-N 3.31Å; D488-T490 VanDerWaalsContact CG-OG1 3.24Å; D488-T490 PolarHBondContact OD1-N 3.1Å; D488-T490 PolarHBondContact OD2-OG1 2.99Å; T490-L492 PolarHBondContact O-N 3.19Å
491Q88.6Confident91.6Very high91 Ų9160.4 Ų60.443%0.42529%0.293SS..THydrogen-bonded Turntrans-79.10.3-174.2-60.7178.7-11.200113.9D488 K489 V493 D494 I495D488-Q491 HydrophobicContact CB-CG 4.13Å; D488-Q491 PolarHBondContact O-N 2.75Å; K489-Q491 PolarHBondContact O-N 3.22Å; Q491-V493 VanDerWaalsContact C-N 3.25Å; Q491-V493 PolarHBondContact O-N 3.06Å; Q491-V493 VanDerWaalsContact O-N 3.12Å; Q491-D494 PolarHBondContact O-N 3.16Å; Q491-I495 HydrophobicContact CB-CG1 4.43Å; Q491-I495 PolarHBondContact O-N 3.27Å
492L88.5Confident91.7Very high22 Ų2257 Ų5712%0.11528%0.277CS..Hα-helixtrans-47.8-46-175.5178.872000112.7K489 T490 D494 I495 V496 Q515 L516K489-L492 PolarHBondContact O-N 3.16Å; T490-L492 PolarHBondContact O-N 3.19Å; L492-D494 VanDerWaalsContact C-N 3.32Å; L492-D494 PolarHBondContact O-N 3.3Å; L492-I495 PolarHBondContact O-N 3.14Å; L492-V496 HydrophobicContact CD1-CG2 4.13Å; L492-V496 HydrophobicContact CG-CG2 4.26Å; L492-V496 VanDerWaalsContact O-CB 3.3Å; L492-V496 WeakPolarHBondContact O-CB 3.46Å; L492-V496 WeakPolarHBondContact O-CG2 3.19Å; L492-V496 PolarHBondContact O-N 2.9Å; L492-Q515 HydrophobicContact CD1-CG 4.06Å; L492-Q515 HydrophobicContact CD2-CG 4.36Å; L492-L516 HydrophobicContact CD1-CD2 3.7Å; L492-L516 HydrophobicContact CD1-CG 4.35Å
493V89.6Confident91.8Very high119 Ų11955.7 Ų55.772%0.72127%0.271SS*.Hα-helixtrans-64.3-37-177-178.10000111.7Q491 R497Q491-V493 VanDerWaalsContact C-N 3.25Å; Q491-V493 PolarHBondContact O-N 3.06Å; Q491-V493 VanDerWaalsContact O-N 3.12Å; V493-R497 VanDerWaalsContact O-CB 3.31Å; V493-R497 WeakPolarHBondContact O-CB 3.48Å; V493-R497 PolarHBondContact O-N 2.97Å
494D92.8Very high91.8Very high60 Ų6054.4 Ų54.432%0.32126%0.263SS..Hα-helixtrans-72.3-42.9177-174.464.7000112.3Q491 L492 V496 R497 R498Q491-D494 PolarHBondContact O-N 3.16Å; L492-D494 VanDerWaalsContact C-N 3.32Å; L492-D494 PolarHBondContact O-N 3.3Å; D494-V496 PolarHBondContact O-N 3.45Å; D494-R497 CarbonylContact O-C 3.53Å; D494-R497 WeakPolarHBondContact O-CA 3.4Å; D494-R497 VanDerWaalsContact O-CB 3.32Å; D494-R497 WeakPolarHBondContact O-CB 3.42Å; D494-R497 PolarHBondContact O-N 2.82Å; D494-R497 VanDerWaalsContact O-N 3.1Å; D494-R497 IonicContact OD1-CZ 3.18Å; D494-R497 IonicContact OD1-NE 3.2Å; D494-R497 PolarHBondContact OD1-NE 3.11Å; D494-R497 IonicContact OD1-NH2 2.72Å; D494-R497 PolarHBondContact OD1-NH2 3.08Å; D494-R497 IonicContact OD2-NH2 2.87Å; D494-R498 WeakPolarHBondContact O-CG 3.36Å; D494-R498 PolarHBondContact O-N 3.07Å; D494-R498 WeakPolarHBondContact OD2-CD 3.48Å; D494-R498 IonicContact OD2-NH1 2.8Å; D494-R498 PolarHBondContact OD2-NH1 2.87Å
495I94.1Very high91.9Very high0 Ų054.4 Ų54.40%026%0.263CS..Hα-helixtrans-64.8-42.5177.2-58.5-55.3000110.5V484 T485 H486 Q491 L492 R497 R498 L499 L506 L516V484-I495 HydrophobicContact CG1-CD1 3.88Å; V484-I495 HydrophobicContact CG1-CG2 4.33Å; T485-I495 WeakPolarHBondContact O-CD1 3.45Å; H486-I495 HydrophobicContact CB-CD1 4.3Å; H486-I495 HydrophobicContact CB-CG1 3.98Å; H486-I495 HydrophobicContact CB-CG2 4.09Å; Q491-I495 HydrophobicContact CB-CG1 4.43Å; Q491-I495 PolarHBondContact O-N 3.27Å; L492-I495 PolarHBondContact O-N 3.14Å; I495-R497 VanDerWaalsContact C-N 3.29Å; I495-R497 PolarHBondContact O-N 3.21Å; I495-R498 PolarHBondContact O-N 3.33Å; I495-L499 HydrophobicContact CG2-CD1 3.84Å; I495-L499 HydrophobicContact CG2-CG 4.23Å; I495-L499 WeakPolarHBondContact O-CB 3.21Å; I495-L499 VanDerWaalsContact O-CG 3.28Å; I495-L499 WeakPolarHBondContact O-CG 3.39Å; I495-L499 PolarHBondContact O-N 3.35Å; I495-L506 HydrophobicContact CG2-CD1 4.49Å; I495-L516 HydrophobicContact CG2-CD1 4.08Å; I495-L516 HydrophobicContact CG2-CD2 4.04Å
496V92.6Very high92Very high31 Ų3153.1 Ų53.119%0.18826%0.255CS..Hα-helixtrans-60.1-37.3171.3166.80000111.7L492 D494 K500 L516 I525L492-V496 HydrophobicContact CD1-CG2 4.13Å; L492-V496 HydrophobicContact CG-CG2 4.26Å; L492-V496 VanDerWaalsContact O-CB 3.3Å; L492-V496 WeakPolarHBondContact O-CB 3.46Å; L492-V496 WeakPolarHBondContact O-CG2 3.19Å; L492-V496 PolarHBondContact O-N 2.9Å; D494-V496 PolarHBondContact O-N 3.45Å; V496-K500 WeakPolarHBondContact O-CG 3.32Å; V496-K500 PolarHBondContact O-N 3.4Å; V496-L516 HydrophobicContact CG2-CD2 3.87Å; V496-I525 HydrophobicContact CG1-CG2 4.08Å; V496-I525 HydrophobicContact CG2-CD1 4.1Å
497R91.6Very high92.1Very high150 Ų15053.1 Ų53.157%0.56626%0.255SS*.Hα-helixtrans-66.1-40.8175.1179.3-166.270801112V493 D494 I495V493-R497 VanDerWaalsContact O-CB 3.31Å; V493-R497 WeakPolarHBondContact O-CB 3.48Å; V493-R497 PolarHBondContact O-N 2.97Å; D494-R497 CarbonylContact O-C 3.53Å; D494-R497 WeakPolarHBondContact O-CA 3.4Å; D494-R497 VanDerWaalsContact O-CB 3.32Å; D494-R497 WeakPolarHBondContact O-CB 3.42Å; D494-R497 PolarHBondContact O-N 2.82Å; D494-R497 VanDerWaalsContact O-N 3.1Å; D494-R497 IonicContact OD1-CZ 3.18Å; D494-R497 IonicContact OD1-NE 3.2Å; D494-R497 PolarHBondContact OD1-NE 3.11Å; D494-R497 IonicContact OD1-NH2 2.72Å; D494-R497 PolarHBondContact OD1-NH2 3.08Å; D494-R497 IonicContact OD2-NH2 2.87Å; I495-R497 VanDerWaalsContact C-N 3.29Å; I495-R497 PolarHBondContact O-N 3.21Å
498R93.1Very high92.3Very high50 Ų5051.4 Ų51.419%0.18925%0.248CC..Hα-helixtrans-71.3-45179.1-70.4161.771.1-169.91.1111.7E481 V484 D494 I495 K500 K501E481-R498 WeakPolarHBondContact OE1-CG 3.28Å; E481-R498 IonicContact OE1-CZ 2.85Å; E481-R498 IonicContact OE1-NE 3.43Å; E481-R498 PolarHBondContact OE1-NE 3.44Å; E481-R498 IonicContact OE2-CZ 3.41Å; E481-R498 VanDerWaalsContact OE2-CZ 3.25Å; E481-R498 IonicContact OE2-NE 2.69Å; E481-R498 PolarHBondContact OE2-NE 3.4Å; E481-R498 IonicContact OE2-NH2 3.19Å; E481-R498 PolarHBondContact OE2-NH2 2.86Å; V484-R498 HydrophobicContact CG2-CB 4.5Å; D494-R498 WeakPolarHBondContact O-CG 3.36Å; D494-R498 PolarHBondContact O-N 3.07Å; D494-R498 WeakPolarHBondContact OD2-CD 3.48Å; D494-R498 IonicContact OD2-NH1 2.8Å; D494-R498 PolarHBondContact OD2-NH1 2.87Å; I495-R498 PolarHBondContact O-N 3.33Å; R498-K500 PolarHBondContact O-N 3.47Å; R498-K500 VanDerWaalsContact O-N 3.08Å; R498-K501 PolarHBondContact O-N 2.98Å
499L93.6Very high92.6Very high0 Ų049 Ų490%024%0.236CC..THydrogen-bonded Turntrans-67.5-5.9178.2-64.3176.9000114.9G447 I495 K501 V503 L506 L516 I525G447-L499 WeakPolarHBondContact CA-O 3.26Å; G447-L499 PolarHBondContact N-O 2.86Å; I495-L499 HydrophobicContact CG2-CD1 3.84Å; I495-L499 HydrophobicContact CG2-CG 4.23Å; I495-L499 WeakPolarHBondContact O-CB 3.21Å; I495-L499 VanDerWaalsContact O-CG 3.28Å; I495-L499 WeakPolarHBondContact O-CG 3.39Å; I495-L499 PolarHBondContact O-N 3.35Å; L499-K501 PolarHBondContact O-N 2.86Å; L499-V503 HydrophobicContact CD2-CB 4.39Å; L499-V503 HydrophobicContact CD2-CG1 4.49Å; L499-V503 HydrophobicContact CD2-CG2 4.22Å; L499-L506 HydrophobicContact CD1-CD1 4.39Å; L499-L506 HydrophobicContact CD1-CD2 4.07Å; L499-L506 HydrophobicContact CD2-CD1 4.46Å; L499-L516 HydrophobicContact CD1-CD1 4.09Å; L499-L516 HydrophobicContact CD1-CD2 4.29Å; L499-I525 HydrophobicContact CB-CB 3.92Å; L499-I525 HydrophobicContact CB-CG2 4.1Å
500K91.3Very high93.1Very high132 Ų13244 Ų4457%0.57422%0.215SC*.THydrogen-bonded Turntrans-70.8-15.7167.5-77.4172.7-177.6-177.60113.5R446 V496 R498 I525R446-K500 WeakPolarHBondContact CB-O 3.42Å; V496-K500 WeakPolarHBondContact O-CG 3.32Å; V496-K500 PolarHBondContact O-N 3.4Å; R498-K500 PolarHBondContact O-N 3.47Å; R498-K500 VanDerWaalsContact O-N 3.08Å; K500-I525 HydrophobicContact CG-CG2 4.3Å
501K91Very high93.3Very high138 Ų13840.2 Ų40.260%0.619%0.191SC*.SBendtrans-101.8169.5172.3-70.5-168.2175.5-168.70111R446 G447 R498 L499R446-K501 CarbonylContact C-O 3.53Å; R446-K501 WeakPolarHBondContact CA-O 3.38Å; G447-K501 PolarHBondContact N-O 3.03Å; G447-K501 VanDerWaalsContact N-O 3.1Å; R498-K501 PolarHBondContact O-N 2.98Å; L499-K501 PolarHBondContact O-N 2.86Å
502P93.1Very high93.6Very high1 Ų136.1 Ų36.11%0.00617%0.172CC..EExtended strand (participates in β ladder)trans-60.4136.7166.2-18.632.7000110.2L438 R441 G445 F480L438-P502 HydrophobicContact CD1-CB 3.92Å; R441-P502 HydrophobicContact CB-CB 4.24Å; G445-P502 WeakPolarHBondContact O-CD 3.4Å; G445-P502 WeakPolarHBondContact O-CG 3.11Å; F480-P502 HydrophobicContact CD1-CB 4.33Å; F480-P502 HydrophobicContact CD1-CG 4.29Å; F480-P502 HydrophobicContact CD2-CB 3.85Å; F480-P502 HydrophobicContact CD2-CG 4.19Å; F480-P502 HydrophobicContact CE1-CB 4.49Å; F480-P502 HydrophobicContact CE1-CG 3.99Å; F480-P502 HydrophobicContact CE2-CB 4.03Å; F480-P502 HydrophobicContact CE2-CG 3.88Å; F480-P502 HydrophobicContact CG-CB 4.05Å; F480-P502 HydrophobicContact CG-CG 4.42Å; F480-P502 HydrophobicContact CZ-CB 4.38Å; F480-P502 HydrophobicContact CZ-CG 3.81Å
503V94Very high93.9Very high1 Ų135 Ų351%0.00617%0.166CC..EExtended strand (participates in β ladder)trans-133.2149.4175.3168.20000108.6G447 P448 T449 V484 L499G447-V503 PolarHBondContact O-N 2.89Å; G447-V503 VanDerWaalsContact O-N 3.12Å; P448-V503 CarbonylContact C-O 3.53Å; P448-V503 WeakPolarHBondContact CA-O 3.44Å; P448-V503 HydrophobicContact CB-CG1 4.45Å; T449-V503 PolarHBondContact N-O 3.38Å; T449-V503 PolarHBondContact OG1-O 3.1Å; T449-V503 VanDerWaalsContact OG1-O 3.11Å; V484-V503 HydrophobicContact CB-CG1 4.02Å; V484-V503 HydrophobicContact CG2-CB 4.45Å; V484-V503 HydrophobicContact CG2-CG1 3.62Å; V484-V503 HydrophobicContact CG2-CG2 3.89Å; L499-V503 HydrophobicContact CD2-CB 4.39Å; L499-V503 HydrophobicContact CD2-CG1 4.49Å; L499-V503 HydrophobicContact CD2-CG2 4.22Å
504G94.4Very high94Very high1 Ų129.9 Ų29.91%0.0113%0.134CC..EExtended strand (participates in β ladder)trans-69.2-89.9170.200000110.6S434 T449 C450 E481 D482S434-G504 WeakPolarHBondContact OG-CA 3.37Å; S434-G504 PolarHBondContact OG-O 3.36Å; S434-G504 VanDerWaalsContact OG-O 3.1Å; T449-G504 WeakPolarHBondContact CA-O 3.4Å; T449-G504 WeakPolarHBondContact CB-O 3.38Å; T449-G504 PolarHBondContact N-O 3.42Å; C450-G504 PolarHBondContact N-O 2.91Å; E481-G504 PolarHBondContact O-N 2.91Å; D482-G504 CarbonylContact O-C 3.6Å; D482-G504 WeakPolarHBondContact O-CA 3.49Å
505I97.3Very high94Very high0 Ų029.3 Ų29.30%013%0.13CC..EExtended strand (participates in β ladder)trans-106.9126.7-175.2-52.8172.4000110.6V430 S434 C450 F452 M467 L471 D482 V483 V484 L507V430-I505 HydrophobicContact CG1-CD1 4.14Å; S434-I505 WeakPolarHBondContact OG-CG1 3.41Å; C450-I505 HydrophobicContact CB-CG1 4.27Å; C450-I505 CarbonylContact O-C 3.58Å; C450-I505 WeakPolarHBondContact O-CA 3.5Å; F452-I505 HydrophobicContact CB-CG2 4Å; M467-I505 HydrophobicContact CE-CD1 4.03Å; M467-I505 HydrophobicContact CE-CG2 3.89Å; M467-I505 HydrophobicContact CG-CD1 4.28Å; M467-I505 HydrophobicContact SD-CD1 3.89Å; M467-I505 HydrophobicContact SD-CG2 4.05Å; L471-I505 HydrophobicContact CD1-CD1 4.26Å; D482-I505 PolarHBondContact O-N 3.48Å; V483-I505 CarbonylContact C-O 3.55Å; V483-I505 WeakPolarHBondContact CA-O 3.27Å; V483-I505 HydrophobicContact CG2-CB 4.48Å; V484-I505 PolarHBondContact N-O 3.03Å; I505-L507 HydrophobicContact CG2-CB 4.47Å
506L97.7Very high93.9Very high0 Ų029.3 Ų29.30%013%0.13CC..EExtended strand (participates in β ladder)trans-90.9116.9160.6171.663.1000108.7P448 C450 F452 V484 H486 I495 L499 T508 L513 L516 F526P448-L506 HydrophobicContact CB-CB 3.77Å; P448-L506 HydrophobicContact CG-CB 3.9Å; P448-L506 HydrophobicContact CG-CD2 4.4Å; C450-L506 PolarHBondContact O-N 2.84Å; F452-L506 PolarHBondContact N-O 3.16Å; V484-L506 HydrophobicContact CG1-CD1 4.35Å; V484-L506 WeakPolarHBondContact O-CA 3.49Å; H486-L506 HydrophobicContact CB-CD1 4.46Å; I495-L506 HydrophobicContact CG2-CD1 4.49Å; L499-L506 HydrophobicContact CD1-CD1 4.39Å; L499-L506 HydrophobicContact CD1-CD2 4.07Å; L499-L506 HydrophobicContact CD2-CD1 4.46Å; L506-T508 HydrophobicContact CG-CG2 4.38Å; L506-L513 HydrophobicContact CD2-CD1 4.35Å; L506-L516 HydrophobicContact CD1-CD1 4.39Å; L506-L516 HydrophobicContact CD2-CD1 3.94Å; L506-F526 HydrophobicContact CD2-CE1 3.8Å; L506-F526 HydrophobicContact CD2-CZ 3.87Å
507L98.3Very high93.7Very high0 Ų028.3 Ų28.30%012%0.123CC..EExtended strand (participates in β ladder)trans-114.4121.2179.2168.667.8000110.9F452 I463 E464 M467 V484 T485 H486 W487 I505F452-L507 HydrophobicContact CB-CB 4.39Å; F452-L507 HydrophobicContact CB-CD1 3.88Å; F452-L507 HydrophobicContact CD1-CD1 3.52Å; F452-L507 HydrophobicContact CE1-CD1 4.39Å; F452-L507 HydrophobicContact CG-CD1 3.94Å; F452-L507 WeakPolarHBondContact O-CA 3.46Å; I463-L507 HydrophobicContact CB-CD2 4.49Å; I463-L507 HydrophobicContact CG2-CD1 4.38Å; I463-L507 HydrophobicContact CG2-CD2 4.27Å; E464-L507 HydrophobicContact CB-CD2 3.9Å; M467-L507 HydrophobicContact SD-CD2 3.97Å; V484-L507 PolarHBondContact O-N 2.99Å; T485-L507 WeakPolarHBondContact CA-O 3.43Å; T485-L507 HydrophobicContact CG2-CB 4.09Å; T485-L507 HydrophobicContact CG2-CD2 4Å; T485-L507 HydrophobicContact CG2-CG 4.29Å; H486-L507 PolarHBondContact N-O 3.03Å; W487-L507 HydrophobicContact CH2-CD1 4.15Å; W487-L507 HydrophobicContact CH2-CG 3.94Å; W487-L507 HydrophobicContact CZ2-CD1 4.39Å; W487-L507 HydrophobicContact CZ2-CD2 4.11Å; W487-L507 HydrophobicContact CZ2-CG 3.73Å; I505-L507 HydrophobicContact CG2-CB 4.47Å
508T97.5Very high93.5Very high0 Ų025.9 Ų25.90%012%0.121CC..EExtended strand (participates in β ladder)trans-160.3-174-169.1-166.20000113.7F452 V453 C454 H486 W487 L506 L512 L513F452-T508 PolarHBondContact O-N 3.38Å; V453-T508 WeakPolarHBondContact CA-O 3.49Å; C454-T508 PolarHBondContact N-O 2.95Å; H486-T508 WeakPolarHBondContact O-CA 3.12Å; H486-T508 WeakPolarHBondContact O-CB 3.32Å; H486-T508 PolarHBondContact O-OG1 2.98Å; W487-T508 VanDerWaalsContact CZ3-C 3.41Å; L506-T508 HydrophobicContact CG-CG2 4.38Å; T508-L512 VanDerWaalsContact OG1-CB 3.27Å; T508-L512 WeakPolarHBondContact OG1-CB 3.16Å; T508-L513 HydrophobicContact CG2-CB 3.87Å
509S95.3Very high93Very high13 Ų1328.4 Ų28.49%0.09114%0.135CC..  trans-103.1170.4173.261.90000112.6D511 L512 L513S509-D511 WeakPolarHBondContact CB-OD1 3.37Å; S509-D511 PolarHBondContact OG-OD1 3.39Å; S509-L512 WeakPolarHBondContact OG-CD1 3.49Å; S509-L512 VanDerWaalsContact OG-CG 3.28Å; S509-L512 WeakPolarHBondContact OG-CG 3.31Å; S509-L513 WeakPolarHBondContact O-CB 3.19Å; S509-L513 PolarHBondContact O-N 2.85Å
510V94Very high92.1Very high2 Ų229.3 Ų29.31%0.01214%0.14CC..Hα-helixtrans-60.4-48.1-175.8170.70000113.2V453 L514 M542 L546 D549 L553V453-V510 HydrophobicContact CG1-CG2 3.83Å; V510-L514 PolarHBondContact O-N 3.27Å; V510-M542 HydrophobicContact CG2-CB 4.02Å; V510-M542 HydrophobicContact CG2-CG 3.98Å; V510-M542 HydrophobicContact CG2-SD 3.67Å; V510-L546 HydrophobicContact CB-CD1 4.29Å; V510-D549 VanDerWaalsContact CG1-C 3.5Å; V510-D549 HydrophobicContact CG1-CB 4.22Å; V510-D549 WeakPolarHBondContact CG1-O 3.45Å; V510-L553 HydrophobicContact CB-CD2 4.32Å; V510-L553 HydrophobicContact CG1-CB 4.21Å; V510-L553 HydrophobicContact CG1-CD2 4Å; V510-L553 HydrophobicContact CG2-CD2 4.14Å
511D90.9Very high90.7Very high33 Ų3328.4 Ų28.418%0.17615%0.148CC..Hα-helixtrans-68.9-39.3-178.161-40.1000112.3K489 S509 L514 Q515 L546K489-D511 WeakPolarHBondContact CE-OD2 3.41Å; K489-D511 IonicContact NZ-OD2 3.51Å; K489-D511 PolarHBondContact NZ-OD2 2.82Å; S509-D511 WeakPolarHBondContact CB-OD1 3.37Å; S509-D511 PolarHBondContact OG-OD1 3.39Å; D511-L514 PolarHBondContact O-N 2.97Å; D511-Q515 WeakPolarHBondContact O-CB 3.34Å; D511-Q515 PolarHBondContact O-N 3.06Å; D511-L546 HydrophobicContact CB-CD1 3.88Å
512L94.4Very high89.3Confident5 Ų528 Ų283%0.02616%0.157CC..Hα-helixtrans-69.2-40176.1-66.8-178.3000112H486 W487 K489 T508 S509 Q515 L516H486-L512 VanDerWaalsContact O-CD1 3.24Å; H486-L512 WeakPolarHBondContact O-CD1 3.3Å; W487-L512 VanDerWaalsContact C-CD1 3.43Å; W487-L512 VanDerWaalsContact CA-CD1 3.41Å; K489-L512 HydrophobicContact CB-CD2 4.48Å; K489-L512 HydrophobicContact CD-CD2 4.22Å; K489-L512 HydrophobicContact CG-CD2 3.38Å; T508-L512 VanDerWaalsContact OG1-CB 3.27Å; T508-L512 WeakPolarHBondContact OG1-CB 3.16Å; S509-L512 WeakPolarHBondContact OG-CD1 3.49Å; S509-L512 VanDerWaalsContact OG-CG 3.28Å; S509-L512 WeakPolarHBondContact OG-CG 3.31Å; L512-Q515 WeakPolarHBondContact O-CB 3.39Å; L512-Q515 PolarHBondContact O-N 3.49Å; L512-L516 PolarHBondContact O-N 3.18Å
513L95.3Very high88.1Confident0 Ų028.9 Ų28.90%017%0.166CC..Hα-helixtrans-62.6-46.9170.9-178.356.7000111I451 V453 L506 T508 S509 Q515 L516 L517 F526 L553I451-L513 HydrophobicContact CG2-CD1 4.08Å; I451-L513 HydrophobicContact CG2-CD2 3.81Å; V453-L513 HydrophobicContact CG2-CD2 3.55Å; L506-L513 HydrophobicContact CD2-CD1 4.35Å; T508-L513 HydrophobicContact CG2-CB 3.87Å; S509-L513 WeakPolarHBondContact O-CB 3.19Å; S509-L513 PolarHBondContact O-N 2.85Å; L513-Q515 VanDerWaalsContact C-N 3.27Å; L513-Q515 PolarHBondContact O-N 2.91Å; L513-L516 PolarHBondContact O-N 2.76Å; L513-L516 VanDerWaalsContact O-N 3.13Å; L513-L517 HydrophobicContact CD1-CD1 4.36Å; L513-L517 HydrophobicContact CD1-CD2 4.21Å; L513-L517 HydrophobicContact CD1-CG 4.04Å; L513-L517 HydrophobicContact CG-CD1 4.02Å; L513-L517 HydrophobicContact CG-CG 4.17Å; L513-L517 VanDerWaalsContact O-CG 3.3Å; L513-L517 WeakPolarHBondContact O-CG 3.45Å; L513-L517 PolarHBondContact O-N 2.88Å; L513-F526 HydrophobicContact CD1-CE1 4.44Å; L513-F526 HydrophobicContact CD1-CZ 3.97Å; L513-L553 HydrophobicContact CD2-CD1 3.74Å; L513-L553 HydrophobicContact CD2-CD2 4.09Å; L513-L553 HydrophobicContact CG-CD1 4.07Å
514L92.4Very high87.4Confident11 Ų1131 Ų316%0.05818%0.181CC..Hα-helixtrans-58.2-38.6175.1-83.6178.9000112.7V510 D511 L517 N518 D549 K552 L553 R556V510-L514 PolarHBondContact O-N 3.27Å; D511-L514 PolarHBondContact O-N 2.97Å; L514-L517 PolarHBondContact O-N 3.43Å; L514-N518 WeakPolarHBondContact O-CB 3.29Å; L514-N518 VanDerWaalsContact O-CG 3.28Å; L514-N518 PolarHBondContact O-N 3.48Å; L514-N518 PolarHBondContact O-ND2 2.87Å; L514-D549 HydrophobicContact CD1-CB 3.79Å; L514-D549 VanDerWaalsContact CD1-O 3.29Å; L514-D549 WeakPolarHBondContact CD1-O 3.38Å; L514-K552 HydrophobicContact CD1-CB 4.01Å; L514-K552 HydrophobicContact CD2-CB 4.41Å; L514-L553 HydrophobicContact CD1-CB 4.5Å; L514-L553 HydrophobicContact CD2-CB 4.22Å; L514-L553 HydrophobicContact CD2-CD1 4.33Å; L514-L553 HydrophobicContact CG-CB 4.2Å; L514-R556 HydrophobicContact CD2-CG 4.27Å
515Q91.3Very high87.1Confident47 Ų4731 Ų3122%0.2218%0.181CC..Hα-helixtrans-60.4-48.6174.4-168.8171.2-3.800110.7L492 D511 L512 L513 N518 H519L492-Q515 HydrophobicContact CD1-CG 4.06Å; L492-Q515 HydrophobicContact CD2-CG 4.36Å; D511-Q515 WeakPolarHBondContact O-CB 3.34Å; D511-Q515 PolarHBondContact O-N 3.06Å; L512-Q515 WeakPolarHBondContact O-CB 3.39Å; L512-Q515 PolarHBondContact O-N 3.49Å; L513-Q515 VanDerWaalsContact C-N 3.27Å; L513-Q515 PolarHBondContact O-N 2.91Å; Q515-N518 PolarHBondContact O-N 2.8Å; Q515-H519 PolarHBondContact O-CD2 2.84Å; Q515-H519 PolarHBondContact O-N 3.16Å
516L92.9Very high86.6Confident0 Ų031.3 Ų31.30%018%0.182CC..Hα-helixtrans-60.6-45174.6-70171.2000112.8L492 I495 V496 L499 L506 L512 L513 N518 H519 I525 F526L492-L516 HydrophobicContact CD1-CD2 3.7Å; L492-L516 HydrophobicContact CD1-CG 4.35Å; I495-L516 HydrophobicContact CG2-CD1 4.08Å; I495-L516 HydrophobicContact CG2-CD2 4.04Å; V496-L516 HydrophobicContact CG2-CD2 3.87Å; L499-L516 HydrophobicContact CD1-CD1 4.09Å; L499-L516 HydrophobicContact CD1-CD2 4.29Å; L506-L516 HydrophobicContact CD1-CD1 4.39Å; L506-L516 HydrophobicContact CD2-CD1 3.94Å; L512-L516 PolarHBondContact O-N 3.18Å; L513-L516 PolarHBondContact O-N 2.76Å; L513-L516 VanDerWaalsContact O-N 3.13Å; L516-N518 VanDerWaalsContact C-N 3.33Å; L516-N518 PolarHBondContact O-N 2.75Å; L516-H519 CarbonylContact O-C 3.54Å; L516-H519 PolarHBondContact O-N 2.82Å; L516-H519 VanDerWaalsContact O-N 3.16Å; L516-I525 HydrophobicContact CB-CD1 4.38Å; L516-I525 HydrophobicContact CD2-CD1 4.15Å; L516-F526 HydrophobicContact CB-CE2 3.88Å; L516-F526 HydrophobicContact CB-CZ 4.02Å; L516-F526 HydrophobicContact CD1-CZ 4.49Å
517L89.4Confident86.2Confident11 Ų1133.1 Ų33.16%0.05819%0.192CC..Hα-helixtrans-63.6-37.5179.6-63.2175.7000111.9L513 L514 N520 F526 L553 M560 F561L513-L517 HydrophobicContact CD1-CD1 4.36Å; L513-L517 HydrophobicContact CD1-CD2 4.21Å; L513-L517 HydrophobicContact CD1-CG 4.04Å; L513-L517 HydrophobicContact CG-CD1 4.02Å; L513-L517 HydrophobicContact CG-CG 4.17Å; L513-L517 VanDerWaalsContact O-CG 3.3Å; L513-L517 WeakPolarHBondContact O-CG 3.45Å; L513-L517 PolarHBondContact O-N 2.88Å; L514-L517 PolarHBondContact O-N 3.43Å; L517-N520 WeakPolarHBondContact O-CB 3.42Å; L517-N520 PolarHBondContact O-N 2.79Å; L517-F526 HydrophobicContact CD2-CD2 3.8Å; L517-F526 HydrophobicContact CD2-CE2 3.65Å; L517-F526 HydrophobicContact CD2-CG 4.32Å; L517-F526 HydrophobicContact CD2-CZ 4.03Å; L517-F526 HydrophobicContact CG-CE2 4.43Å; L517-L553 HydrophobicContact CD1-CD1 3.74Å; L517-M560 HydrophobicContact CB-CE 4.48Å; L517-M560 HydrophobicContact CB-SD 4.09Å; L517-M560 HydrophobicContact CD1-SD 4.33Å; L517-M560 HydrophobicContact CD2-CE 3.59Å; L517-M560 HydrophobicContact CD2-SD 3.72Å; L517-M560 HydrophobicContact CG-SD 4.23Å; L517-F561 HydrophobicContact CD2-CE2 4.42Å; L517-F561 HydrophobicContact CD2-CZ 4.37Å
518N86.1Confident85.6Confident98 Ų9835.1 Ų35.152%0.52421%0.208SC..Hα-helixtrans-72.1-26.5175.2-69.9-40.8000112.8L514 Q515 L516 N520 R556L514-N518 WeakPolarHBondContact O-CB 3.29Å; L514-N518 VanDerWaalsContact O-CG 3.28Å; L514-N518 PolarHBondContact O-N 3.48Å; L514-N518 PolarHBondContact O-ND2 2.87Å; Q515-N518 PolarHBondContact O-N 2.8Å; L516-N518 VanDerWaalsContact C-N 3.33Å; L516-N518 PolarHBondContact O-N 2.75Å; N518-N520 VanDerWaalsContact C-N 3.28Å; N518-N520 PolarHBondContact O-N 3.13Å; N518-R556 PolarHBondContact OD1-NH2 3.39Å
519H82.1Confident85.1Confident103 Ų10339 Ų3948%0.47723%0.227SC..THydrogen-bonded Turntrans-87.722.2174.7-77.4-72.7000114Q515 L516 P521Q515-H519 PolarHBondContact O-CD2 2.84Å; Q515-H519 PolarHBondContact O-N 3.16Å; L516-H519 CarbonylContact O-C 3.54Å; L516-H519 PolarHBondContact O-N 2.82Å; L516-H519 VanDerWaalsContact O-N 3.16Å; H519-P521 WeakPolarHBondContact O-CD 3.06Å
520N75.9Confident84.8Confident19 Ų1938.6 Ų38.610%0.10222%0.224CC..  trans-115.160.6-175.7-174.951.7000113.2L517 N518 V522 G523 S524 I525 F526 M560L517-N520 WeakPolarHBondContact O-CB 3.42Å; L517-N520 PolarHBondContact O-N 2.79Å; N518-N520 VanDerWaalsContact C-N 3.28Å; N518-N520 PolarHBondContact O-N 3.13Å; N520-V522 VanDerWaalsContact C-N 3.32Å; N520-V522 PolarHBondContact O-N 2.68Å; N520-V522 VanDerWaalsContact O-N 3.16Å; N520-G523 PolarHBondContact O-N 2.67Å; N520-G523 VanDerWaalsContact OD1-CA 3.31Å; N520-G523 WeakPolarHBondContact OD1-CA 3.3Å; N520-S524 PolarHBondContact OD1-N 2.89Å; N520-I525 HydrophobicContact CB-CD1 4.38Å; N520-I525 HydrophobicContact CB-CG1 3.94Å; N520-I525 VanDerWaalsContact OD1-CG1 3.3Å; N520-I525 WeakPolarHBondContact OD1-CG1 3.49Å; N520-I525 PolarHBondContact OD1-N 3.39Å; N520-F526 HydrophobicContact CB-CD2 4.23Å; N520-F526 PolarHBondContact OD1-N 3.02Å; N520-M560 WeakPolarHBondContact ND2-CE 3.43Å
521P61.5Low84.8Confident113 Ų11338.6 Ų38.673%0.73422%0.224SC*.THydrogen-bonded Turntrans-64.2-25.4-16425.1-35.9000115.9H519H519-P521 WeakPolarHBondContact O-CD 3.06Å
522V62.6Low84.9Confident130 Ų13040.9 Ų40.979%0.78823%0.232SC*.THydrogen-bonded Turntrans-139.242.6177.2-159.40000111N520 S524N520-V522 VanDerWaalsContact C-N 3.32Å; N520-V522 PolarHBondContact O-N 2.68Å; N520-V522 VanDerWaalsContact O-N 3.16Å; V522-S524 PolarHBondContact O-N 3.38Å
523G67.4Low84.9Confident20 Ų2041.1 Ų41.121%0.20623%0.234CC..SBendtrans6032.1-178.900000113.2R446 N520 F526R446-G523 VanDerWaalsContact CZ-O 3.32Å; R446-G523 PolarHBondContact NE-O 3.02Å; R446-G523 PolarHBondContact NH2-O 3.22Å; N520-G523 PolarHBondContact O-N 2.67Å; N520-G523 VanDerWaalsContact OD1-CA 3.31Å; N520-G523 WeakPolarHBondContact OD1-CA 3.3Å; G523-F526 CarbonylContact C-O 3.58Å; G523-F526 WeakPolarHBondContact CA-O 3.41Å
524S78.5Confident85Confident46 Ų4641.2 Ų41.232%0.32223%0.234SC..SBendtrans-75.2-22.1-171.647.80000114.5N520 V522N520-S524 PolarHBondContact OD1-N 2.89Å; V522-S524 PolarHBondContact O-N 3.38Å
525I87.8Confident85.3Confident1 Ų140.7 Ų40.71%0.00523%0.232CC..SBendtrans-127.2-10.7177.156.7171.8000113.4G447 V496 L499 K500 L516 N520G447-I525 WeakPolarHBondContact CA-O 3.34Å; V496-I525 HydrophobicContact CG1-CG2 4.08Å; V496-I525 HydrophobicContact CG2-CD1 4.1Å; L499-I525 HydrophobicContact CB-CB 3.92Å; L499-I525 HydrophobicContact CB-CG2 4.1Å; K500-I525 HydrophobicContact CG-CG2 4.3Å; L516-I525 HydrophobicContact CB-CD1 4.38Å; L516-I525 HydrophobicContact CD2-CD1 4.15Å; N520-I525 HydrophobicContact CB-CD1 4.38Å; N520-I525 HydrophobicContact CB-CG1 3.94Å; N520-I525 VanDerWaalsContact OD1-CG1 3.3Å; N520-I525 WeakPolarHBondContact OD1-CG1 3.49Å; N520-I525 PolarHBondContact OD1-N 3.39Å
526F88.3Confident85.6Confident6 Ų638.5 Ų38.53%0.02622%0.221CC..  trans-126.6121.3169-62.6-78.8000110.4P448 I451 L506 L513 L516 L517 N520 G523 F561P448-F526 HydrophobicContact CG-CD1 4.1Å; P448-F526 HydrophobicContact CG-CE1 3.97Å; I451-F526 HydrophobicContact CD1-CD1 3.97Å; I451-F526 HydrophobicContact CD1-CE1 3.72Å; I451-F526 HydrophobicContact CG1-CE1 4.36Å; L506-F526 HydrophobicContact CD2-CE1 3.8Å; L506-F526 HydrophobicContact CD2-CZ 3.87Å; L513-F526 HydrophobicContact CD1-CE1 4.44Å; L513-F526 HydrophobicContact CD1-CZ 3.97Å; L516-F526 HydrophobicContact CB-CE2 3.88Å; L516-F526 HydrophobicContact CB-CZ 4.02Å; L516-F526 HydrophobicContact CD1-CZ 4.49Å; L517-F526 HydrophobicContact CD2-CD2 3.8Å; L517-F526 HydrophobicContact CD2-CE2 3.65Å; L517-F526 HydrophobicContact CD2-CG 4.32Å; L517-F526 HydrophobicContact CD2-CZ 4.03Å; L517-F526 HydrophobicContact CG-CE2 4.43Å; N520-F526 HydrophobicContact CB-CD2 4.23Å; N520-F526 PolarHBondContact OD1-N 3.02Å; G523-F526 CarbonylContact C-O 3.58Å; G523-F526 WeakPolarHBondContact CA-O 3.41Å; F526-F561 HydrophobicContact CD1-CZ 4.39Å
527D88.1Confident85.7Confident38 Ų3838.5 Ų38.520%0.20322%0.222CC..  trans-97.6117167.9162.113.2000108.4R441 R446 Q529 A530 V531R441-D527 IonicContact NH2-OD2 2.93Å; R441-D527 PolarHBondContact NH2-OD2 3.27Å; R446-D527 HydrophobicContact CG-CB 4.31Å; D527-Q529 PolarHBondContact O-N 3Å; D527-Q529 PolarHBondContact OD1-N 3.1Å; D527-A530 HydrophobicContact CB-CB 3.74Å; D527-A530 VanDerWaalsContact O-CB 3.22Å; D527-A530 WeakPolarHBondContact O-CB 3.41Å; D527-A530 PolarHBondContact O-N 3.38Å; D527-A530 PolarHBondContact OD1-N 2.55Å; D527-A530 WeakPolarHBondContact OD2-CB 3.4Å; D527-V531 PolarHBondContact O-N 2.95Å
528A85.4Confident85.9Confident42 Ų4238.7 Ų38.735%0.34722%0.223SC..THydrogen-bonded Turntrans-65.4-18-176.500000114.2M560A528-M560 WeakPolarHBondContact CB-O 3.3Å
529Q87.6Confident86.3Confident82 Ų8234 Ų3438%0.38320%0.198SC..THydrogen-bonded Turntrans-96.1-12173-59.3-60.1-63.100112.3D527 K532D527-Q529 PolarHBondContact O-N 3Å; D527-Q529 PolarHBondContact OD1-N 3.1Å; Q529-K532 PolarHBondContact O-NZ 2.86Å
530A89.7Confident86.7Confident4 Ų429.4 Ų29.43%0.03318%0.177CC..THydrogen-bonded Turntrans-69.9-50.6171.100000112R441 D527 K532R441-A530 VanDerWaalsContact CZ-CB 3.42Å; R441-A530 VanDerWaalsContact NH2-CB 3.28Å; D527-A530 HydrophobicContact CB-CB 3.74Å; D527-A530 VanDerWaalsContact O-CB 3.22Å; D527-A530 WeakPolarHBondContact O-CB 3.41Å; D527-A530 PolarHBondContact O-N 3.38Å; D527-A530 PolarHBondContact OD1-N 2.55Å; D527-A530 WeakPolarHBondContact OD2-CB 3.4Å; A530-K532 WeakPolarHBondContact O-CD 3.31Å; A530-K532 WeakPolarHBondContact O-CG 3.49Å; A530-K532 PolarHBondContact O-N 3.13Å
531V93.2Very high87.3Confident1 Ų128.6 Ų28.61%0.00617%0.172CC..  trans-69.1105.6-169.4-177.30000109.5P448 T449 I451 D527 I534 F561 C568P448-V531 WeakPolarHBondContact O-CG2 3.49Å; T449-V531 WeakPolarHBondContact O-CA 3.31Å; I451-V531 HydrophobicContact CD1-CG1 4.26Å; I451-V531 HydrophobicContact CD1-CG2 4.18Å; I451-V531 HydrophobicContact CG1-CG1 4.21Å; I451-V531 HydrophobicContact CG1-CG2 4.4Å; D527-V531 PolarHBondContact O-N 2.95Å; V531-I534 HydrophobicContact CG1-CD1 4.12Å; V531-I534 HydrophobicContact CG1-CG1 3.69Å; V531-F561 HydrophobicContact CB-CD1 3.93Å; V531-F561 HydrophobicContact CB-CE1 3.95Å; V531-F561 HydrophobicContact CG1-CD1 4.29Å; V531-F561 HydrophobicContact CG1-CE1 4.36Å; V531-F561 HydrophobicContact CG2-CD1 4.11Å; V531-F561 HydrophobicContact CG2-CE1 3.6Å; V531-F561 HydrophobicContact CG2-CZ 4.4Å; V531-C568 WeakPolarHBondContact O-CB 3.38Å
532K93.6Very high88.6Confident81 Ų8123.3 Ų23.335%0.35214%0.138SC..  trans-90.9-17.5178.3-55.8-46-172.6-172.60112.8T449 Q529 A530 C568 Q569T449-K532 HydrophobicContact CG2-CG 4.27Å; T449-K532 PolarHBondContact O-N 3.28Å; Q529-K532 PolarHBondContact O-NZ 2.86Å; A530-K532 WeakPolarHBondContact O-CD 3.31Å; A530-K532 WeakPolarHBondContact O-CG 3.49Å; A530-K532 PolarHBondContact O-N 3.13Å; K532-C568 WeakPolarHBondContact O-CA 3.44Å; K532-Q569 PolarHBondContact O-N 3.31Å
533C94.8Very high89.8Confident11 Ų1118.3 Ų18.37%0.07411%0.108CC..EExtended strand (participates in β ladder)trans-150.8136.4-173.6-179.10000111.6C450 I451 Q569 L571C450-C533 VanDerWaalsContact CA-O 3.29Å; C450-C533 WeakPolarHBondContact CA-O 3.44Å; C450-C533 HydrophobicContact CB-CB 4.2Å; C450-C533 PolarHBondContact SG-O 3.24Å; C450-C533 VanDerWaalsContact SG-O 3.39Å; I451-C533 PolarHBondContact N-O 2.88Å; C533-Q569 CarbonylContact C-O 3.57Å; C533-Q569 WeakPolarHBondContact CA-O 3.46Å; C533-L571 WeakPolarHBondContact SG-CD1 3.29Å
534I96.9Very high90.4Very high1 Ų124.6 Ų24.61%0.00513%0.125CC..EExtended strand (participates in β ladder)trans-125.1128.6168.9-63.3172.8000108I451 V531 L536 L557 F561 L563 Q569 L570 L571I451-I534 HydrophobicContact CB-CG1 4.3Å; I451-I534 CarbonylContact O-C 3.57Å; I451-I534 VanDerWaalsContact O-CA 3.31Å; I451-I534 WeakPolarHBondContact O-CA 3.42Å; V531-I534 HydrophobicContact CG1-CD1 4.12Å; V531-I534 HydrophobicContact CG1-CG1 3.69Å; I534-L536 HydrophobicContact CG2-CD2 4.28Å; I534-L557 HydrophobicContact CD1-CD2 4.2Å; I534-L557 HydrophobicContact CG2-CD1 4.27Å; I534-F561 HydrophobicContact CD1-CB 4.11Å; I534-F561 HydrophobicContact CD1-CD1 4.46Å; I534-F561 HydrophobicContact CD1-CD2 3.51Å; I534-F561 HydrophobicContact CD1-CE2 4.02Å; I534-F561 HydrophobicContact CD1-CG 3.76Å; I534-L563 HydrophobicContact CD1-CD2 4.17Å; I534-Q569 PolarHBondContact N-O 2.91Å; I534-L570 HydrophobicContact CB-CD1 3.92Å; I534-L570 HydrophobicContact CG2-CD1 3.86Å; I534-L571 PolarHBondContact O-N 3.47Å
535A97.8Very high90.4Very high0 Ų025.6 Ų25.60%013%0.129CC..EExtended strand (participates in β ladder)trans-117.1129.3178.400000111.3Y426 I451 F452 V453 L571Y426-A535 HydrophobicContact CE2-CB 4.15Å; I451-A535 PolarHBondContact O-N 3.44Å; F452-A535 HydrophobicContact CD1-CB 4.41Å; F452-A535 HydrophobicContact CD2-CB 3.56Å; F452-A535 HydrophobicContact CE2-CB 3.74Å; F452-A535 HydrophobicContact CG-CB 3.93Å; F452-A535 HydrophobicContact CZ-CB 4.22Å; V453-A535 PolarHBondContact N-O 3.46Å; A535-L571 CarbonylContact C-O 3.52Å; A535-L571 WeakPolarHBondContact CA-O 3.44Å; A535-L571 HydrophobicContact CB-CB 4.2Å; A535-L571 HydrophobicContact CB-CD1 4.37Å
536L97.5Very high90.1Very high1 Ų127.1 Ų27.11%0.00514%0.137CC..EExtended strand (participates in β ladder)trans-118.187.3176.8-55-179.9000108.7V453 I534 L539 M542 L554 L557 L570 L571 V572 S573V453-L536 HydrophobicContact CB-CD2 3.87Å; V453-L536 HydrophobicContact CG2-CD2 3.82Å; I534-L536 HydrophobicContact CG2-CD2 4.28Å; L536-L539 HydrophobicContact CD1-CD1 4.48Å; L536-M542 HydrophobicContact CB-CE 4.24Å; L536-L554 HydrophobicContact CD1-CD2 3.75Å; L536-L557 HydrophobicContact CD1-CD1 4.32Å; L536-L570 HydrophobicContact CD1-CD1 4.38Å; L536-L570 HydrophobicContact CG-CD1 4.46Å; L536-L571 PolarHBondContact N-O 3.08Å; L536-V572 HydrophobicContact CB-CG2 4.47Å; L536-V572 HydrophobicContact CD1-CG2 4.41Å; L536-S573 PolarHBondContact O-N 3.03Å
537D96.2Very high89.8Confident1 Ų128.3 Ų28.31%0.00515%0.145CC..THydrogen-bonded Turntrans-85.6128.5-175.6-161.822.7000112.3T423 Y426 F452 V453 P455 M542 S573T423-D537 WeakPolarHBondContact CB-OD2 3.19Å; T423-D537 VanDerWaalsContact CG2-OD2 3.25Å; T423-D537 WeakPolarHBondContact CG2-OD2 3.4Å; T423-D537 PolarHBondContact OG1-OD2 3.08Å; Y426-D537 VanDerWaalsContact OH-CB 3.28Å; Y426-D537 WeakPolarHBondContact OH-CB 3.04Å; Y426-D537 PolarHBondContact OH-OD1 3.27Å; F452-D537 HydrophobicContact CE1-CB 3.73Å; F452-D537 HydrophobicContact CZ-CB 4.04Å; V453-D537 PolarHBondContact O-N 2.85Å; P455-D537 WeakPolarHBondContact CD-O 3.49Å; D537-M542 WeakPolarHBondContact O-CE 3.39Å; D537-S573 WeakPolarHBondContact OD1-CB 3.29Å; D537-S573 PolarHBondContact OD1-OG 3.42Å
538N93.3Very high89.4Confident14 Ų1428.7 Ų28.78%0.07515%0.147CC..THydrogen-bonded Turntrans54.652.5-173.4-56.3-59.7000113.7K422 P455 Q459 N540 D541 M542 S573K422-N538 WeakPolarHBondContact CE-OD1 3.4Å; P455-N538 HydrophobicContact CG-CB 3.93Å; Q459-N538 PolarHBondContact OE1-ND2 3.05Å; Q459-N538 VanDerWaalsContact OE1-ND2 3.1Å; N538-N540 PolarHBondContact O-N 2.81Å; N538-N540 VanDerWaalsContact O-N 3.07Å; N538-D541 HydrophobicContact CB-CB 4.21Å; N538-D541 WeakPolarHBondContact CB-OD2 3.47Å; N538-D541 WeakPolarHBondContact O-CA 3.43Å; N538-D541 WeakPolarHBondContact O-CB 3.36Å; N538-D541 PolarHBondContact O-N 3.07Å; N538-M542 PolarHBondContact O-N 2.83Å; N538-S573 CarbonylContact C-O 3.53Å; N538-S573 WeakPolarHBondContact CA-O 3.31Å; N538-S573 PolarHBondContact N-O 2.97Å; N538-S573 PolarHBondContact N-OG 3.39Å
539L94.6Very high89.5Confident1 Ų128.6 Ų28.61%0.00514%0.141CC..Hα-helixtrans-48.9-35.9178.8-179.765.8000114.2L536 D541 M542 V543 T550 V572 S573 L581 M582 I586L536-L539 HydrophobicContact CD1-CD1 4.48Å; L539-D541 VanDerWaalsContact C-N 3.29Å; L539-D541 PolarHBondContact O-N 3.31Å; L539-M542 HydrophobicContact CD1-SD 3.93Å; L539-M542 WeakPolarHBondContact O-CB 3.35Å; L539-M542 PolarHBondContact O-N 3.15Å; L539-M542 VanDerWaalsContact O-N 3.15Å; L539-V543 HydrophobicContact CD1-CG2 4.41Å; L539-V543 PolarHBondContact O-N 2.77Å; L539-T550 HydrophobicContact CD1-CG2 3.83Å; L539-V572 HydrophobicContact CB-CG1 4.16Å; L539-V572 HydrophobicContact CD2-CG1 3.83Å; L539-S573 PolarHBondContact N-O 2.73Å; L539-L581 HydrophobicContact CD2-CD2 4.02Å; L539-L581 HydrophobicContact CD2-CG 4.35Å; L539-L581 HydrophobicContact CG-CD2 4.21Å; L539-M582 HydrophobicContact CD2-CE 4.4Å; L539-I586 HydrophobicContact CD2-CD1 3.56Å; L539-I586 HydrophobicContact CD2-CG1 3.73Å
540N90.1Very high89.7Confident6 Ų624.8 Ų24.83%0.03212%0.123CC..Hα-helixtrans-63.3-33.4175.2-55.195000113.2N538 R544 G574 R575 I576 H578N538-N540 PolarHBondContact O-N 2.81Å; N538-N540 VanDerWaalsContact O-N 3.07Å; N540-R544 WeakPolarHBondContact O-CB 3.28Å; N540-R544 PolarHBondContact O-N 3.05Å; N540-R544 VanDerWaalsContact O-N 3.08Å; N540-G574 WeakPolarHBondContact OD1-CA 3.39Å; N540-R575 PolarHBondContact OD1-N 2.76Å; N540-I576 PolarHBondContact ND2-O 3.35Å; N540-I576 PolarHBondContact OD1-N 3.32Å; N540-I576 PolarHBondContact OD1-O 3.17Å; N540-H578 PolarHBondContact ND2-CD2 3.39Å; N540-H578 PolarHBondContact ND2-NE2 2.88Å
541D88Confident89.7Confident1 Ų126.9 Ų26.91%0.00513%0.133CC..Hα-helixtrans-71.8-35.7174.6-71.4-42.8000110.3P455 N538 L539 R544 V545 R575P455-D541 HydrophobicContact CB-CB 3.71Å; P455-D541 HydrophobicContact CG-CB 3.51Å; N538-D541 HydrophobicContact CB-CB 4.21Å; N538-D541 WeakPolarHBondContact CB-OD2 3.47Å; N538-D541 WeakPolarHBondContact O-CA 3.43Å; N538-D541 WeakPolarHBondContact O-CB 3.36Å; N538-D541 PolarHBondContact O-N 3.07Å; L539-D541 VanDerWaalsContact C-N 3.29Å; L539-D541 PolarHBondContact O-N 3.31Å; D541-R544 PolarHBondContact O-N 3.24Å; D541-R544 IonicContact OD1-CZ 2.84Å; D541-R544 IonicContact OD1-NH1 3.13Å; D541-R544 PolarHBondContact OD1-NH1 3.02Å; D541-R544 IonicContact OD1-NH2 2.79Å; D541-R544 PolarHBondContact OD1-NH2 3.08Å; D541-V545 WeakPolarHBondContact O-CG2 3.01Å; D541-V545 PolarHBondContact O-N 3.07Å; D541-V545 VanDerWaalsContact O-N 3.16Å; D541-R575 IonicContact OD1-CZ 2.67Å; D541-R575 IonicContact OD1-NE 2.69Å; D541-R575 PolarHBondContact OD1-NE 3.46Å; D541-R575 IonicContact OD1-NH2 2.91Å; D541-R575 PolarHBondContact OD1-NH2 2.94Å; D541-R575 IonicContact OD2-CZ 3.48Å; D541-R575 IonicContact OD2-NE 3.17Å; D541-R575 PolarHBondContact OD2-NE 2.92Å; D541-R575 IonicContact OD2-NH2 2.65Å; D541-R575 PolarHBondContact OD2-NH2 3.16Å
542M90.1Very high89.5Confident3 Ų331.6 Ų31.62%0.01515%0.153CC..Hα-helixtrans-60.2-53.5172.3-57.1178.3-177.300111.3V453 P455 V510 L536 D537 N538 L539 R544 V545 L546 T550V453-M542 VanDerWaalsContact C-CE 3.45Å; V453-M542 HydrophobicContact CB-CE 3.86Å; V453-M542 HydrophobicContact CG1-CE 3.78Å; V453-M542 HydrophobicContact CG1-SD 4.29Å; V453-M542 WeakPolarHBondContact O-CE 3.39Å; P455-M542 HydrophobicContact CB-CG 4.26Å; P455-M542 HydrophobicContact CG-CG 4.13Å; V510-M542 HydrophobicContact CG2-CB 4.02Å; V510-M542 HydrophobicContact CG2-CG 3.98Å; V510-M542 HydrophobicContact CG2-SD 3.67Å; L536-M542 HydrophobicContact CB-CE 4.24Å; D537-M542 WeakPolarHBondContact O-CE 3.39Å; N538-M542 PolarHBondContact O-N 2.83Å; L539-M542 HydrophobicContact CD1-SD 3.93Å; L539-M542 WeakPolarHBondContact O-CB 3.35Å; L539-M542 PolarHBondContact O-N 3.15Å; L539-M542 VanDerWaalsContact O-N 3.15Å; M542-R544 PolarHBondContact O-N 3.11Å; M542-V545 PolarHBondContact O-N 2.96Å; M542-V545 VanDerWaalsContact O-N 3.12Å; M542-L546 PolarHBondContact O-N 2.92Å; M542-T550 HydrophobicContact CB-CG2 4.07Å; M542-T550 PolarHBondContact O-OG1 3.27Å
543V86.7Confident89.5Confident25 Ų2527.9 Ų27.915%0.15214%0.137CC..Hα-helixtrans-63.9-28.1-179.4176.50000112.1L539 P547 T550 L581L539-V543 HydrophobicContact CD1-CG2 4.41Å; L539-V543 PolarHBondContact O-N 2.77Å; V543-P547 VanDerWaalsContact O-CA 3.29Å; V543-P547 WeakPolarHBondContact O-CA 3.4Å; V543-P547 VanDerWaalsContact O-CB 3.3Å; V543-P547 WeakPolarHBondContact O-CB 3.28Å; V543-P547 WeakPolarHBondContact O-CD 3.31Å; V543-T550 HydrophobicContact CG2-CG2 3.58Å; V543-L581 HydrophobicContact CG2-CD1 4.23Å; V543-L581 HydrophobicContact CG2-CD2 3.86Å
544R80.1Confident89.5Confident151 Ų15127.6 Ų27.657%0.5714%0.135SC*.Hα-helixtrans-70.8-40173.3-173.4-178.263.9-105.1-7.2112.7N540 D541 M542N540-R544 WeakPolarHBondContact O-CB 3.28Å; N540-R544 PolarHBondContact O-N 3.05Å; N540-R544 VanDerWaalsContact O-N 3.08Å; D541-R544 PolarHBondContact O-N 3.24Å; D541-R544 IonicContact OD1-CZ 2.84Å; D541-R544 IonicContact OD1-NH1 3.13Å; D541-R544 PolarHBondContact OD1-NH1 3.02Å; D541-R544 IonicContact OD1-NH2 2.79Å; D541-R544 PolarHBondContact OD1-NH2 3.08Å; M542-R544 PolarHBondContact O-N 3.11Å
545V78.9Confident89.2Confident68 Ų6832.9 Ų32.941%0.41216%0.16SC..Hα-helixtrans-85.5-46-174.6-178.20000111.4D541 M542D541-V545 WeakPolarHBondContact O-CG2 3.01Å; D541-V545 PolarHBondContact O-N 3.07Å; D541-V545 VanDerWaalsContact O-N 3.16Å; M542-V545 PolarHBondContact O-N 2.96Å; M542-V545 VanDerWaalsContact O-N 3.12Å
546L81.3Confident88.9Confident33 Ų3337.2 Ų37.217%0.17318%0.176CC..SBendtrans-129.266.7-176.1-63.8176000110.7V510 D511 M542 N548 D549 T550 D967V510-L546 HydrophobicContact CB-CD1 4.29Å; D511-L546 HydrophobicContact CB-CD1 3.88Å; M542-L546 PolarHBondContact O-N 2.92Å; L546-N548 PolarHBondContact O-N 3.11Å; L546-D549 HydrophobicContact CB-CB 4.41Å; L546-T550 VanDerWaalsContact O-CB 3.28Å; L546-T550 WeakPolarHBondContact O-CB 3.09Å; L546-T550 PolarHBondContact O-N 2.88Å; L546-T550 PolarHBondContact O-OG1 3.34Å; L546-D967 WeakPolarHBondContact CA-OD2 3.44Å
547P81.4Confident88.6Confident30 Ų3037.2 Ų37.220%0.19518%0.176CC..Hα-helixtrans-57.1-52.2-17419.3-31.1000112.5V543 T550 M551 D967V543-P547 VanDerWaalsContact O-CA 3.29Å; V543-P547 WeakPolarHBondContact O-CA 3.4Å; V543-P547 VanDerWaalsContact O-CB 3.3Å; V543-P547 WeakPolarHBondContact O-CB 3.28Å; V543-P547 WeakPolarHBondContact O-CD 3.31Å; P547-T550 PolarHBondContact O-N 2.92Å; P547-M551 WeakPolarHBondContact O-CG 3.31Å; P547-M551 PolarHBondContact O-N 3.29Å; P547-D967 HydrophobicContact CG-CB 4.37Å
548N81.1Confident88.3Confident46 Ų4640.2 Ų40.225%0.24620%0.196CC..Hα-helixtrans-66.9-42.9-173.6-68.9-37.1000111.9L546 M551 K552 L971L546-N548 PolarHBondContact O-N 3.11Å; N548-M551 PolarHBondContact O-N 2.92Å; N548-K552 WeakPolarHBondContact O-CG 3.31Å; N548-K552 PolarHBondContact O-N 3Å; N548-L971 WeakPolarHBondContact ND2-CD1 3.3Å
549D86.7Confident88.1Confident40 Ų4045.4 Ų45.421%0.21422%0.22CC..Hα-helixtrans-74.5-30.3-179.9-77.24.7000111.7V510 L514 L546 K552 L553V510-D549 VanDerWaalsContact CG1-C 3.5Å; V510-D549 HydrophobicContact CG1-CB 4.22Å; V510-D549 WeakPolarHBondContact CG1-O 3.45Å; L514-D549 HydrophobicContact CD1-CB 3.79Å; L514-D549 VanDerWaalsContact CD1-O 3.29Å; L514-D549 WeakPolarHBondContact CD1-O 3.38Å; L546-D549 HydrophobicContact CB-CB 4.41Å; D549-K552 PolarHBondContact O-N 3Å; D549-K552 WeakPolarHBondContact OD1-CD 3.44Å; D549-K552 WeakPolarHBondContact OD1-CE 3.3Å; D549-K552 IonicContact OD1-NZ 3.57Å; D549-K552 PolarHBondContact OD1-NZ 2.85Å; D549-L553 WeakPolarHBondContact O-CB 3.49Å; D549-L553 PolarHBondContact O-N 3Å
550T90.9Very high87.7Confident2 Ų247.5 Ų47.51%0.01223%0.23CC..Hα-helixtrans-65-41.8169.7-52.40000111.2L539 M542 V543 L546 P547 L553 L554L539-T550 HydrophobicContact CD1-CG2 3.83Å; M542-T550 HydrophobicContact CB-CG2 4.07Å; M542-T550 PolarHBondContact O-OG1 3.27Å; V543-T550 HydrophobicContact CG2-CG2 3.58Å; L546-T550 VanDerWaalsContact O-CB 3.28Å; L546-T550 WeakPolarHBondContact O-CB 3.09Å; L546-T550 PolarHBondContact O-N 2.88Å; L546-T550 PolarHBondContact O-OG1 3.34Å; P547-T550 PolarHBondContact O-N 2.92Å; T550-L553 PolarHBondContact O-N 3.28Å; T550-L554 WeakPolarHBondContact O-CG 3.46Å; T550-L554 PolarHBondContact O-N 3.17Å
551M89.7Confident87.7Confident48 Ų4847.6 Ų47.624%0.23623%0.23CC..Hα-helixtrans-65-42.6176.5-65-43-57.700112.6P547 N548 L553 L554 Q555 L581 H585P547-M551 WeakPolarHBondContact O-CG 3.31Å; P547-M551 PolarHBondContact O-N 3.29Å; N548-M551 PolarHBondContact O-N 2.92Å; M551-L553 VanDerWaalsContact C-N 3.33Å; M551-L553 PolarHBondContact O-N 2.81Å; M551-L554 HydrophobicContact CE-CD1 4.43Å; M551-L554 PolarHBondContact O-N 3.18Å; M551-L554 HydrophobicContact SD-CD1 4.41Å; M551-Q555 WeakPolarHBondContact O-CG 3.1Å; M551-Q555 PolarHBondContact O-N 3.33Å; M551-Q555 VanDerWaalsContact O-N 3.1Å; M551-L581 HydrophobicContact CE-CD1 4.34Å; M551-L581 HydrophobicContact SD-CD1 3.88Å; M551-H585 HydrophobicContact CE-CB 4.25Å; M551-H585 WeakPolarHBondContact CE-CD2 3.49Å; M551-H585 WeakPolarHBondContact CE-NE2 3.5Å
552K90.9Very high87.7Confident101 Ų10152 Ų5244%0.43925%0.25SS..Hα-helixtrans-58.3-44.6172.6-69.2169.4-161164.10111.5L514 N548 D549 L554 Q555 R556L514-K552 HydrophobicContact CD1-CB 4.01Å; L514-K552 HydrophobicContact CD2-CB 4.41Å; N548-K552 WeakPolarHBondContact O-CG 3.31Å; N548-K552 PolarHBondContact O-N 3Å; D549-K552 PolarHBondContact O-N 3Å; D549-K552 WeakPolarHBondContact OD1-CD 3.44Å; D549-K552 WeakPolarHBondContact OD1-CE 3.3Å; D549-K552 IonicContact OD1-NZ 3.57Å; D549-K552 PolarHBondContact OD1-NZ 2.85Å; K552-L554 PolarHBondContact O-N 3Å; K552-Q555 PolarHBondContact O-N 2.69Å; K552-R556 VanDerWaalsContact O-CG 3.32Å; K552-R556 WeakPolarHBondContact O-CG 3.17Å; K552-R556 PolarHBondContact O-N 2.69Å
553L93.4Very high87.5Confident2 Ų252.6 Ų52.61%0.0125%0.253CS..Hα-helixtrans-59.6-48.2178.4178.460.9000111V510 L513 L514 L517 D549 T550 M551 Q555 R556 L557V510-L553 HydrophobicContact CB-CD2 4.32Å; V510-L553 HydrophobicContact CG1-CB 4.21Å; V510-L553 HydrophobicContact CG1-CD2 4Å; V510-L553 HydrophobicContact CG2-CD2 4.14Å; L513-L553 HydrophobicContact CD2-CD1 3.74Å; L513-L553 HydrophobicContact CD2-CD2 4.09Å; L513-L553 HydrophobicContact CG-CD1 4.07Å; L514-L553 HydrophobicContact CD1-CB 4.5Å; L514-L553 HydrophobicContact CD2-CB 4.22Å; L514-L553 HydrophobicContact CD2-CD1 4.33Å; L514-L553 HydrophobicContact CG-CB 4.2Å; L517-L553 HydrophobicContact CD1-CD1 3.74Å; D549-L553 WeakPolarHBondContact O-CB 3.49Å; D549-L553 PolarHBondContact O-N 3Å; T550-L553 PolarHBondContact O-N 3.28Å; M551-L553 VanDerWaalsContact C-N 3.33Å; M551-L553 PolarHBondContact O-N 2.81Å; L553-Q555 PolarHBondContact O-N 3.47Å; L553-R556 PolarHBondContact O-N 2.95Å; L553-L557 HydrophobicContact CD1-CD2 3.92Å; L553-L557 HydrophobicContact CD1-CG 4.3Å; L553-L557 HydrophobicContact CG-CD2 4.49Å; L553-L557 HydrophobicContact CG-CG 4.42Å; L553-L557 WeakPolarHBondContact O-CG 3.29Å; L553-L557 PolarHBondContact O-N 3.09Å
554L93.4Very high87.1Confident6 Ų654.7 Ų54.73%0.03127%0.267CS..Hα-helixtrans-61.2-30.9178.6-67179.4000113.4L536 T550 M551 K552 L557 P558 L581 H585 I586L536-L554 HydrophobicContact CD1-CD2 3.75Å; T550-L554 WeakPolarHBondContact O-CG 3.46Å; T550-L554 PolarHBondContact O-N 3.17Å; M551-L554 HydrophobicContact CE-CD1 4.43Å; M551-L554 PolarHBondContact O-N 3.18Å; M551-L554 HydrophobicContact SD-CD1 4.41Å; K552-L554 PolarHBondContact O-N 3Å; L554-L557 HydrophobicContact CD2-CD1 4.44Å; L554-P558 VanDerWaalsContact O-CD 3.23Å; L554-P558 WeakPolarHBondContact O-CD 3.01Å; L554-L581 HydrophobicContact CD1-CD1 3.75Å; L554-H585 HydrophobicContact CD1-CB 4.18Å; L554-I586 HydrophobicContact CD1-CD1 3.82Å; L554-I586 HydrophobicContact CD2-CD1 3.53Å; L554-I586 HydrophobicContact CG-CD1 4.33Å
555Q91.5Very high86.6Confident112 Ų11250.9 Ų50.952%0.52326%0.255SS..Hα-helixtrans-71.3-41.6171.7-69.9168.1-26.100112.1M551 K552 L553 P558M551-Q555 WeakPolarHBondContact O-CG 3.1Å; M551-Q555 PolarHBondContact O-N 3.33Å; M551-Q555 VanDerWaalsContact O-N 3.1Å; K552-Q555 PolarHBondContact O-N 2.69Å; L553-Q555 PolarHBondContact O-N 3.47Å; Q555-P558 VanDerWaalsContact O-CD 3.31Å; Q555-P558 WeakPolarHBondContact O-CD 3.19Å; Q555-P558 WeakPolarHBondContact O-CG 3.46Å
556R90.8Very high86.3Confident91 Ų9154 Ų5434%0.34327%0.27SS..Hα-helixtrans-70.5-30.1180-69.4-61.3-143.3162.310.4114.5L514 N518 K552 L553 E559 M560L514-R556 HydrophobicContact CD2-CG 4.27Å; N518-R556 PolarHBondContact OD1-NH2 3.39Å; K552-R556 VanDerWaalsContact O-CG 3.32Å; K552-R556 WeakPolarHBondContact O-CG 3.17Å; K552-R556 PolarHBondContact O-N 2.69Å; L553-R556 PolarHBondContact O-N 2.95Å; R556-E559 WeakPolarHBondContact CD-OE2 3.45Å; R556-E559 IonicContact CZ-OE2 3.97Å; R556-E559 IonicContact NE-OE2 3.18Å; R556-E559 IonicContact NH1-OE2 2.62Å; R556-E559 PolarHBondContact NH1-OE2 3.39Å; R556-E559 WeakPolarHBondContact O-CB 3.09Å; R556-E559 PolarHBondContact O-N 2.88Å; R556-M560 PolarHBondContact O-N 3.42Å
557L91.4Very high86.5Confident1 Ų156.3 Ų56.31%0.00528%0.278CS..Hα-helixtrans-56.1-51.2-177.9-69.3-172.7000113.8I534 L536 L553 L554 E559 M560 F561 L563I534-L557 HydrophobicContact CD1-CD2 4.2Å; I534-L557 HydrophobicContact CG2-CD1 4.27Å; L536-L557 HydrophobicContact CD1-CD1 4.32Å; L553-L557 HydrophobicContact CD1-CD2 3.92Å; L553-L557 HydrophobicContact CD1-CG 4.3Å; L553-L557 HydrophobicContact CG-CD2 4.49Å; L553-L557 HydrophobicContact CG-CG 4.42Å; L553-L557 WeakPolarHBondContact O-CG 3.29Å; L553-L557 PolarHBondContact O-N 3.09Å; L554-L557 HydrophobicContact CD2-CD1 4.44Å; L557-E559 VanDerWaalsContact C-N 3.33Å; L557-E559 PolarHBondContact O-N 2.77Å; L557-M560 PolarHBondContact O-N 3.12Å; L557-F561 HydrophobicContact CD2-CD2 4.09Å; L557-F561 HydrophobicContact CD2-CE2 4.11Å; L557-F561 WeakPolarHBondContact O-CD2 3.35Å; L557-F561 PolarHBondContact O-N 3.3Å; L557-L563 HydrophobicContact CB-CD1 4.21Å
558P90.6Very high87Confident64 Ų6455 Ų5542%0.41627%0.269SS..Hα-helixtrans-70.1-21.4176.527.1-36000114.7L554 Q555 M560 L589L554-P558 VanDerWaalsContact O-CD 3.23Å; L554-P558 WeakPolarHBondContact O-CD 3.01Å; Q555-P558 VanDerWaalsContact O-CD 3.31Å; Q555-P558 WeakPolarHBondContact O-CD 3.19Å; Q555-P558 WeakPolarHBondContact O-CG 3.46Å; P558-M560 PolarHBondContact O-N 3.38Å; P558-L589 HydrophobicContact CB-CD2 3.97Å; P558-L589 HydrophobicContact CG-CD2 3.94Å
559E89.6Confident87.6Confident123 Ų12353.2 Ų53.258%0.57526%0.26SS*.Hα-helixtrans-65.3-32.4171.5-62.6173.4-166.400111.5R556 L557R556-E559 WeakPolarHBondContact CD-OE2 3.45Å; R556-E559 IonicContact CZ-OE2 3.97Å; R556-E559 IonicContact NE-OE2 3.18Å; R556-E559 IonicContact NH1-OE2 2.62Å; R556-E559 PolarHBondContact NH1-OE2 3.39Å; R556-E559 WeakPolarHBondContact O-CB 3.09Å; R556-E559 PolarHBondContact O-N 2.88Å; L557-E559 VanDerWaalsContact C-N 3.33Å; L557-E559 PolarHBondContact O-N 2.77Å
560M85.6Confident88Confident44 Ų4451.3 Ų51.322%0.21725%0.25CC..Hα-helixtrans-109-22.3-169-64-173.365.900114.5L517 N520 A528 R556 L557 P558L517-M560 HydrophobicContact CB-CE 4.48Å; L517-M560 HydrophobicContact CB-SD 4.09Å; L517-M560 HydrophobicContact CD1-SD 4.33Å; L517-M560 HydrophobicContact CD2-CE 3.59Å; L517-M560 HydrophobicContact CD2-SD 3.72Å; L517-M560 HydrophobicContact CG-SD 4.23Å; N520-M560 WeakPolarHBondContact ND2-CE 3.43Å; A528-M560 WeakPolarHBondContact CB-O 3.3Å; R556-M560 PolarHBondContact O-N 3.42Å; L557-M560 PolarHBondContact O-N 3.12Å; P558-M560 PolarHBondContact O-N 3.38Å
561F89.7Confident88.3Confident9 Ų951.2 Ų51.24%0.03925%0.249CC..SBendtrans-133.5139.1-171.6-54.1-68.2000112.7I451 L517 F526 V531 I534 L557 L563I451-F561 HydrophobicContact CD1-CE1 4.37Å; I451-F561 HydrophobicContact CD1-CE2 4.19Å; I451-F561 HydrophobicContact CD1-CZ 3.73Å; L517-F561 HydrophobicContact CD2-CE2 4.42Å; L517-F561 HydrophobicContact CD2-CZ 4.37Å; F526-F561 HydrophobicContact CD1-CZ 4.39Å; V531-F561 HydrophobicContact CB-CD1 3.93Å; V531-F561 HydrophobicContact CB-CE1 3.95Å; V531-F561 HydrophobicContact CG1-CD1 4.29Å; V531-F561 HydrophobicContact CG1-CE1 4.36Å; V531-F561 HydrophobicContact CG2-CD1 4.11Å; V531-F561 HydrophobicContact CG2-CE1 3.6Å; V531-F561 HydrophobicContact CG2-CZ 4.4Å; I534-F561 HydrophobicContact CD1-CB 4.11Å; I534-F561 HydrophobicContact CD1-CD1 4.46Å; I534-F561 HydrophobicContact CD1-CD2 3.51Å; I534-F561 HydrophobicContact CD1-CE2 4.02Å; I534-F561 HydrophobicContact CD1-CG 3.76Å; L557-F561 HydrophobicContact CD2-CD2 4.09Å; L557-F561 HydrophobicContact CD2-CE2 4.11Å; L557-F561 WeakPolarHBondContact O-CD2 3.35Å; L557-F561 PolarHBondContact O-N 3.3Å; F561-L563 HydrophobicContact CB-CD2 4.03Å; F561-L563 HydrophobicContact CB-CG 4.43Å; F561-L563 PolarHBondContact O-N 2.69Å
562Q87.6Confident88.7Confident93 Ų9348.9 Ų48.944%0.43524%0.238SC..  trans-81.984.4178.4-71177.1-12.900110.4T564 K567 C568Q562-T564 PolarHBondContact O-N 3.37Å; Q562-K567 HydrophobicContact CB-CB 4.01Å; Q562-K567 HydrophobicContact CB-CD 4.48Å; Q562-K567 HydrophobicContact CB-CG 4.27Å; Q562-K567 WeakPolarHBondContact O-CB 3.16Å; Q562-C568 WeakPolarHBondContact O-CB 3.48Å; Q562-C568 PolarHBondContact O-N 2.91Å
563L87.2Confident89Confident15 Ų1544.1 Ų44.18%0.07922%0.217CC..  trans-76.162.6-175.6-56.6178.9000112.8I534 L557 F561 C568 L589I534-L563 HydrophobicContact CD1-CD2 4.17Å; L557-L563 HydrophobicContact CB-CD1 4.21Å; F561-L563 HydrophobicContact CB-CD2 4.03Å; F561-L563 HydrophobicContact CB-CG 4.43Å; F561-L563 PolarHBondContact O-N 2.69Å; L563-C568 HydrophobicContact CD2-CB 4.07Å; L563-L589 HydrophobicContact CD1-CB 3.85Å; L563-L589 HydrophobicContact CD1-CD1 3.96Å; L563-L589 HydrophobicContact CD1-CD2 4.22Å; L563-L589 HydrophobicContact CD1-CG 4.23Å
564T78.2Confident89Confident70 Ų7044 Ų4443%0.42922%0.216SC..SBendtrans-129.7163.1178.468.10000111.4Q562 N566 K567 C568Q562-T564 PolarHBondContact O-N 3.37Å; T564-N566 PolarHBondContact O-N 2.75Å; T564-K567 PolarHBondContact O-N 3.44Å; T564-K567 VanDerWaalsContact O-N 3.11Å; T564-K567 WeakPolarHBondContact OG1-CB 3.39Å; T564-K567 WeakPolarHBondContact OG1-CG 3.44Å; T564-C568 PolarHBondContact O-N 3.29Å
565Q69.6Low88.9Confident70 Ų7047.1 Ų47.133%0.32723%0.228SC..THydrogen-bonded Turntrans-51.1140172.3-158.3-169.7-23.400110.7K567Q565-K567 PolarHBondContact O-N 2.84Å; Q565-K567 VanDerWaalsContact O-N 3.07Å
566N72.9Confident88.9Confident134 Ų13443.3 Ų43.372%0.71721%0.21SC*.THydrogen-bonded Turntrans61.76.5-179.2-49.7-23.2000116T564T564-N566 PolarHBondContact O-N 2.75Å
567K85.4Confident89Confident82 Ų8239 Ų3936%0.35719%0.194SC..THydrogen-bonded Turntrans-109.8-82.2173.5-75.7-72.2-170.6150.30111.2Q562 T564 Q565Q562-K567 HydrophobicContact CB-CB 4.01Å; Q562-K567 HydrophobicContact CB-CD 4.48Å; Q562-K567 HydrophobicContact CB-CG 4.27Å; Q562-K567 WeakPolarHBondContact O-CB 3.16Å; T564-K567 PolarHBondContact O-N 3.44Å; T564-K567 VanDerWaalsContact O-N 3.11Å; T564-K567 WeakPolarHBondContact OG1-CB 3.39Å; T564-K567 WeakPolarHBondContact OG1-CG 3.44Å; Q565-K567 PolarHBondContact O-N 2.84Å; Q565-K567 VanDerWaalsContact O-N 3.07Å
568C91.4Very high88.9Confident1 Ų140.3 Ų40.31%0.00720%0.2CC..  trans-127.5113.9172.9-178.80000110V531 K532 Q562 L563 T564V531-C568 WeakPolarHBondContact O-CB 3.38Å; K532-C568 WeakPolarHBondContact O-CA 3.44Å; Q562-C568 WeakPolarHBondContact O-CB 3.48Å; Q562-C568 PolarHBondContact O-N 2.91Å; L563-C568 HydrophobicContact CD2-CB 4.07Å; T564-C568 PolarHBondContact O-N 3.29Å
569Q93.1Very high88.7Confident9 Ų938.9 Ų38.94%0.04219%0.191CC..EExtended strand (participates in β ladder)trans-70.7136.5174-171.8175.113.900109.9V406 G409 K410 K532 C533 I534 L571V406-Q569 PolarHBondContact O-NE2 3.47Å; V406-Q569 VanDerWaalsContact O-NE2 3.1Å; G409-Q569 VanDerWaalsContact C-CD 3.45Å; K410-Q569 PolarHBondContact O-NE2 3.06Å; K532-Q569 PolarHBondContact O-N 3.31Å; C533-Q569 CarbonylContact C-O 3.57Å; C533-Q569 WeakPolarHBondContact CA-O 3.46Å; I534-Q569 PolarHBondContact N-O 2.91Å; Q569-L571 HydrophobicContact CG-CD2 3.92Å; Q569-L571 HydrophobicContact CG-CG 4.35Å
570L95.9Very high88.5Confident0 Ų035.3 Ų35.30%018%0.175CC..EExtended strand (participates in β ladder)trans-109.7128.8172.9-171.662.8000109.7S411 V412 I534 L536 V572 L589 M590S411-L570 WeakPolarHBondContact CA-O 3.18Å; S411-L570 WeakPolarHBondContact CB-O 3.44Å; S411-L570 PolarHBondContact OG-N 2.78Å; S411-L570 VanDerWaalsContact OG-N 3.14Å; S411-L570 PolarHBondContact OG-O 2.77Å; V412-L570 PolarHBondContact N-O 3.25Å; I534-L570 HydrophobicContact CB-CD1 3.92Å; I534-L570 HydrophobicContact CG2-CD1 3.86Å; L536-L570 HydrophobicContact CD1-CD1 4.38Å; L536-L570 HydrophobicContact CG-CD1 4.46Å; L570-V572 HydrophobicContact CD2-CG2 4.28Å; L570-V572 HydrophobicContact CG-CG2 3.96Å; L570-L589 HydrophobicContact CD2-CB 3.81Å; L570-L589 HydrophobicContact CD2-CD1 4.32Å; L570-M590 HydrophobicContact CB-CE 4.43Å; L570-M590 HydrophobicContact CB-CG 4.2Å; L570-M590 HydrophobicContact CD2-CG 3.74Å; L570-M590 HydrophobicContact CD2-SD 4.19Å; L570-M590 HydrophobicContact CG-CE 4.44Å; L570-M590 HydrophobicContact CG-CG 4.31Å; L570-M590 WeakPolarHBondContact O-CE 3.44Å
571L97.1Very high88.7Confident0 Ų033.6 Ų33.60%017%0.167CC..EExtended strand (participates in β ladder)trans-120.9120.4-178.5-53.8171.7000108.1V406 V412 Y426 V430 C533 I534 A535 L536 Q569V406-L571 HydrophobicContact CG1-CD2 4.03Å; V406-L571 HydrophobicContact CG2-CD2 4.2Å; V412-L571 HydrophobicContact CG1-CD2 3.75Å; Y426-L571 HydrophobicContact CD1-CB 4.49Å; Y426-L571 HydrophobicContact CD2-CB 4.21Å; Y426-L571 HydrophobicContact CD2-CD1 3.7Å; Y426-L571 HydrophobicContact CE2-CB 4.47Å; Y426-L571 HydrophobicContact CG-CB 4.23Å; Y426-L571 HydrophobicContact CG-CD1 3.94Å; Y426-L571 HydrophobicContact CG-CG 4.48Å; V430-L571 HydrophobicContact CG2-CD1 3.35Å; C533-L571 WeakPolarHBondContact SG-CD1 3.29Å; I534-L571 PolarHBondContact O-N 3.47Å; A535-L571 CarbonylContact C-O 3.52Å; A535-L571 WeakPolarHBondContact CA-O 3.44Å; A535-L571 HydrophobicContact CB-CB 4.2Å; A535-L571 HydrophobicContact CB-CD1 4.37Å; L536-L571 PolarHBondContact N-O 3.08Å; Q569-L571 HydrophobicContact CG-CD2 3.92Å; Q569-L571 HydrophobicContact CG-CG 4.35Å
572V97.2Very high88.8Confident0 Ų033.1 Ų33.10%017%0.165CC..EExtended strand (participates in β ladder)trans-127.7137-175.9-1730000110V412 L413 V414 L536 L539 L570 I586 M590V412-V572 PolarHBondContact O-N 3.43Å; L413-V572 CarbonylContact C-O 3.57Å; L413-V572 WeakPolarHBondContact CA-O 3.43Å; L413-V572 HydrophobicContact CD1-CB 3.73Å; L413-V572 HydrophobicContact CD1-CG1 3.6Å; V414-V572 PolarHBondContact N-O 3.49Å; L536-V572 HydrophobicContact CB-CG2 4.47Å; L536-V572 HydrophobicContact CD1-CG2 4.41Å; L539-V572 HydrophobicContact CB-CG1 4.16Å; L539-V572 HydrophobicContact CD2-CG1 3.83Å; L570-V572 HydrophobicContact CD2-CG2 4.28Å; L570-V572 HydrophobicContact CG-CG2 3.96Å; V572-I586 HydrophobicContact CB-CG2 4.46Å; V572-I586 HydrophobicContact CG1-CG2 4.36Å; V572-I586 HydrophobicContact CG2-CG2 3.98Å; V572-M590 HydrophobicContact CB-CE 4.45Å; V572-M590 HydrophobicContact CG2-CE 3.98Å; V572-M590 HydrophobicContact CG2-SD 4.08Å
573S96.6Very high88.8Confident0 Ų031.2 Ų31.20%016%0.159CC..EExtended strand (participates in β ladder)trans-129.9137.9178.4148.40000109.8V414 K422 L536 D537 N538 L539V414-S573 CarbonylContact O-C 3.57Å; V414-S573 WeakPolarHBondContact O-CA 3.37Å; K422-S573 WeakPolarHBondContact CB-OG 3.35Å; K422-S573 WeakPolarHBondContact CD-OG 3.27Å; K422-S573 WeakPolarHBondContact CE-OG 3.46Å; L536-S573 PolarHBondContact O-N 3.03Å; D537-S573 WeakPolarHBondContact OD1-CB 3.29Å; D537-S573 PolarHBondContact OD1-OG 3.42Å; N538-S573 CarbonylContact C-O 3.53Å; N538-S573 WeakPolarHBondContact CA-O 3.31Å; N538-S573 PolarHBondContact N-O 2.97Å; N538-S573 PolarHBondContact N-OG 3.39Å; L539-S573 PolarHBondContact N-O 2.73Å
574G94.6Very high88.8Confident0 Ų036.4 Ų36.40%018%0.183CC..EExtended strand (participates in β ladder)trans-142.6159.9-173.700000113.4V414 G416 K422 N540V414-G574 PolarHBondContact O-N 3.4Å; G416-G574 PolarHBondContact N-O 2.73Å; G416-G574 VanDerWaalsContact N-O 3.16Å; G416-G574 VanDerWaalsContact O-O 3.12Å; K422-G574 WeakPolarHBondContact CD-O 3.49Å; K422-G574 WeakPolarHBondContact CE-O 3.08Å; K422-G574 PolarHBondContact NZ-O 3.31Å; N540-G574 WeakPolarHBondContact OD1-CA 3.39Å
575R91.2Very high89.3Confident72 Ų7235.8 Ų35.827%0.27218%0.175SC..SBendtrans-93.6-33168.5-58.9-169.5-164.1-159.88.2112.6G416 N540 D541G416-R575 WeakPolarHBondContact O-CA 3.36Å; N540-R575 PolarHBondContact OD1-N 2.76Å; D541-R575 IonicContact OD1-CZ 2.67Å; D541-R575 IonicContact OD1-NE 2.69Å; D541-R575 PolarHBondContact OD1-NE 3.46Å; D541-R575 IonicContact OD1-NH2 2.91Å; D541-R575 PolarHBondContact OD1-NH2 2.94Å; D541-R575 IonicContact OD2-CZ 3.48Å; D541-R575 IonicContact OD2-NE 3.17Å; D541-R575 PolarHBondContact OD2-NE 2.92Å; D541-R575 IonicContact OD2-NH2 2.65Å; D541-R575 PolarHBondContact OD2-NH2 3.16Å
576I91.7Very high90.4Very high31 Ų3132.5 Ų32.516%0.15916%0.16CC..SBendtrans-137.8140.5-164.7-60.4164.4000109.3N540 H578 E602 K762 H763N540-I576 PolarHBondContact ND2-O 3.35Å; N540-I576 PolarHBondContact OD1-N 3.32Å; N540-I576 PolarHBondContact OD1-O 3.17Å; I576-H578 PolarHBondContact O-N 2.86Å; I576-E602 VanDerWaalsContact CA-OE2 3.26Å; I576-E602 WeakPolarHBondContact CA-OE2 3.27Å; I576-K762 HydrophobicContact CD1-CD 4.09Å; I576-H763 WeakPolarHBondContact CG2-CE1 3.49Å
577W92.3Very high91.3Very high2 Ų226.8 Ų26.81%0.00813%0.129CC..  trans-81.683.7171.6-172.2-94.4000111.9L413 V415 T579 M582 V583 L587 V595 F597 E602 Y606 H763L413-W577 HydrophobicContact CD2-CH2 4.06Å; L413-W577 HydrophobicContact CD2-CZ3 3.63Å; L413-W577 HydrophobicContact CG-CZ3 4.48Å; V415-W577 HydrophobicContact CG2-CE3 4.13Å; W577-T579 PolarHBondContact NE1-OG1 3.09Å; W577-T579 PolarHBondContact O-N 3.1Å; W577-T579 VanDerWaalsContact O-N 3.16Å; W577-M582 HydrophobicContact CD2-CB 4.36Å; W577-M582 HydrophobicContact CD2-CG 4.12Å; W577-M582 HydrophobicContact CE3-CB 4.35Å; W577-M582 HydrophobicContact CE3-CG 3.96Å; W577-M582 HydrophobicContact CH2-CB 3.73Å; W577-M582 HydrophobicContact CH2-CG 4.21Å; W577-M582 HydrophobicContact CZ2-CB 3.66Å; W577-M582 HydrophobicContact CZ2-CG 4.3Å; W577-M582 HydrophobicContact CZ3-CB 4.07Å; W577-M582 HydrophobicContact CZ3-CG 4.03Å; W577-V583 HydrophobicContact CZ2-CG2 4.26Å; W577-L587 HydrophobicContact CH2-CD1 3.9Å; W577-L587 HydrophobicContact CZ2-CD1 4.23Å; W577-V595 HydrophobicContact CH2-CG1 4.43Å; W577-V595 HydrophobicContact CZ3-CG1 3.96Å; W577-F597 HydrophobicContact CB-CE1 4.22Å; W577-F597 AromaticContact CD2-CE1 3.9Å; W577-F597 HydrophobicContact CD2-CE1 3.9Å; W577-F597 AromaticContact CD2-CZ 3.92Å; W577-F597 HydrophobicContact CD2-CZ 3.92Å; W577-F597 AromaticContact CE3-CE1 3.42Å; W577-F597 HydrophobicContact CE3-CE1 3.42Å; W577-F597 VanDerWaalsContact CE3-CE1 3.42Å; W577-F597 AromaticContact CE3-CZ 3.38Å; W577-F597 HydrophobicContact CE3-CZ 3.38Å; W577-F597 HydrophobicContact CG-CE1 4.22Å; W577-F597 HydrophobicContact CH2-CZ 4.26Å; W577-F597 HydrophobicContact CZ3-CE1 4.06Å; W577-F597 AromaticContact CZ3-CZ 3.56Å; W577-F597 HydrophobicContact CZ3-CZ 3.56Å; W577-E602 PolarHBondContact N-OE2 3.32Å; W577-Y606 HydrophobicContact CD2-CD2 4.36Å; W577-Y606 AromaticContact CE2-CD2 3.67Å; W577-Y606 AromaticContact CH2-CD2 3.8Å; W577-Y606 HydrophobicContact CH2-CD2 3.8Å; W577-Y606 HydrophobicContact CH2-CE2 4.14Å; W577-Y606 AromaticContact CZ2-CD2 3.4Å; W577-Y606 HydrophobicContact CZ2-CD2 3.4Å; W577-Y606 AromaticContact CZ2-CE2 4Å; W577-Y606 HydrophobicContact CZ2-CE2 4Å; W577-Y606 HydrophobicContact CZ2-CG 4.35Å; W577-Y606 HydrophobicContact CZ3-CD2 4.45Å; W577-H763 PolarHBondContact O-CE1 3.31Å; W577-H763 VanDerWaalsContact O-CE1 3.25Å; W577-H763 PolarHBondContact O-ND1 3.09Å; W577-H763 VanDerWaalsContact O-ND1 3.12Å
578H88.6Confident91.5Very high27 Ų2727 Ų2713%0.12514%0.139CC..  trans-77.499.8167.4-62.5-39.6000109.5N540 I576 D580 L581 M582 K762N540-H578 PolarHBondContact ND2-CD2 3.39Å; N540-H578 PolarHBondContact ND2-NE2 2.88Å; I576-H578 PolarHBondContact O-N 2.86Å; H578-D580 PolarHBondContact O-N 2.81Å; H578-L581 HydrophobicContact CB-CB 3.97Å; H578-L581 HydrophobicContact CB-CD2 4.41Å; H578-L581 PolarHBondContact O-N 3.12Å; H578-L581 VanDerWaalsContact O-N 3.17Å; H578-M582 WeakPolarHBondContact O-CG 3.41Å; H578-M582 PolarHBondContact O-N 3.12Å; H578-K762 PolarHBondContact CE1-O 3.35Å; H578-K762 PolarHBondContact ND1-O 2.88Å
579T87.9Confident91.4Very high35 Ų3528 Ų2822%0.21515%0.145CC..Hα-helixtrans-47.1-54.5-175.3-60.70000113.3V342 W577 L581 M582 V583V342-T579 HydrophobicContact CG2-CG2 3.84Å; W577-T579 PolarHBondContact NE1-OG1 3.09Å; W577-T579 PolarHBondContact O-N 3.1Å; W577-T579 VanDerWaalsContact O-N 3.16Å; T579-L581 PolarHBondContact O-N 3.28Å; T579-M582 PolarHBondContact O-N 2.96Å; T579-V583 HydrophobicContact CG2-CG2 4.12Å; T579-V583 VanDerWaalsContact O-CB 3.3Å; T579-V583 WeakPolarHBondContact O-CB 3.44Å; T579-V583 WeakPolarHBondContact O-CG2 3.45Å; T579-V583 PolarHBondContact O-N 2.91Å
580D85.3Confident91.3Very high47 Ų4727.7 Ų27.725%0.25114%0.143SC..Hα-helixtrans-56.1-50.2-178.5-37.4-25000111.7H578 M582 Q584 K764H578-D580 PolarHBondContact O-N 2.81Å; D580-M582 PolarHBondContact O-N 2.72Å; D580-Q584 WeakPolarHBondContact O-CB 3.31Å; D580-Q584 WeakPolarHBondContact O-CG 3.31Å; D580-Q584 PolarHBondContact O-N 3.13Å; D580-K764 WeakPolarHBondContact OD2-CD 3.48Å; D580-K764 WeakPolarHBondContact OD2-CE 3.31Å; D580-K764 IonicContact OD2-NZ 3.65Å; D580-K764 PolarHBondContact OD2-NZ 3.39Å
581L89.2Confident90.6Very high8 Ų830 Ų304%0.04216%0.158CC..Iπ-helixtrans-60.3-48.8-179.2177.867.5000111.1L539 V543 M551 L554 H578 T579 H585 I586L539-L581 HydrophobicContact CD2-CD2 4.02Å; L539-L581 HydrophobicContact CD2-CG 4.35Å; L539-L581 HydrophobicContact CG-CD2 4.21Å; V543-L581 HydrophobicContact CG2-CD1 4.23Å; V543-L581 HydrophobicContact CG2-CD2 3.86Å; M551-L581 HydrophobicContact CE-CD1 4.34Å; M551-L581 HydrophobicContact SD-CD1 3.88Å; L554-L581 HydrophobicContact CD1-CD1 3.75Å; H578-L581 HydrophobicContact CB-CB 3.97Å; H578-L581 HydrophobicContact CB-CD2 4.41Å; H578-L581 PolarHBondContact O-N 3.12Å; H578-L581 VanDerWaalsContact O-N 3.17Å; T579-L581 PolarHBondContact O-N 3.28Å; L581-H585 WeakPolarHBondContact O-CB 3.33Å; L581-H585 PolarHBondContact O-N 3.35Å; L581-I586 PolarHBondContact O-N 3.03Å
582M91.1Very high89.9Confident0 Ų031.4 Ų31.40%017%0.166CC..Iπ-helixtrans-70-47.4-175.9-62.1-59.2175.900111.1L413 L539 W577 H578 T579 D580 I586 L587L413-M582 HydrophobicContact CD1-CE 4.39Å; L413-M582 HydrophobicContact CD1-SD 3.98Å; L413-M582 HydrophobicContact CD2-SD 4.03Å; L539-M582 HydrophobicContact CD2-CE 4.4Å; W577-M582 HydrophobicContact CD2-CB 4.36Å; W577-M582 HydrophobicContact CD2-CG 4.12Å; W577-M582 HydrophobicContact CE3-CB 4.35Å; W577-M582 HydrophobicContact CE3-CG 3.96Å; W577-M582 HydrophobicContact CH2-CB 3.73Å; W577-M582 HydrophobicContact CH2-CG 4.21Å; W577-M582 HydrophobicContact CZ2-CB 3.66Å; W577-M582 HydrophobicContact CZ2-CG 4.3Å; W577-M582 HydrophobicContact CZ3-CB 4.07Å; W577-M582 HydrophobicContact CZ3-CG 4.03Å; H578-M582 WeakPolarHBondContact O-CG 3.41Å; H578-M582 PolarHBondContact O-N 3.12Å; T579-M582 PolarHBondContact O-N 2.96Å; D580-M582 PolarHBondContact O-N 2.72Å; M582-I586 PolarHBondContact O-N 3.48Å; M582-I586 HydrophobicContact SD-CB 4.4Å; M582-I586 HydrophobicContact SD-CG1 4.25Å; M582-I586 HydrophobicContact SD-CG2 4.49Å; M582-L587 WeakPolarHBondContact O-CB 3.35Å; M582-L587 VanDerWaalsContact O-CG 3.25Å; M582-L587 WeakPolarHBondContact O-CG 3.09Å; M582-L587 PolarHBondContact O-N 2.91Å
583V87.9Confident89.7Confident53 Ų5331.7 Ų31.732%0.32117%0.167SC..Iπ-helixtrans-78-38.6-173.6179.60000112.7W577 T579 L587 P588W577-V583 HydrophobicContact CZ2-CG2 4.26Å; T579-V583 HydrophobicContact CG2-CG2 4.12Å; T579-V583 VanDerWaalsContact O-CB 3.3Å; T579-V583 WeakPolarHBondContact O-CB 3.44Å; T579-V583 WeakPolarHBondContact O-CG2 3.45Å; T579-V583 PolarHBondContact O-N 2.91Å; V583-L587 HydrophobicContact CG2-CD1 4.28Å; V583-P588 WeakPolarHBondContact O-CD 3.32Å; V583-P588 WeakPolarHBondContact O-CG 3.44Å
584Q87Confident89.6Confident124 Ų12431.7 Ų31.758%0.57917%0.167SC*.Iπ-helixtrans-90-26.6-175-54.9176.62.300113.3D580D580-Q584 WeakPolarHBondContact O-CB 3.31Å; D580-Q584 WeakPolarHBondContact O-CG 3.31Å; D580-Q584 PolarHBondContact O-N 3.13Å
585H89.6Confident89.6Confident57 Ų5731.7 Ų31.726%0.26417%0.167SC..Iπ-helixtrans-125.8-19.4-170.4-57.2-74000115.9M551 L554 L581 L589M551-H585 HydrophobicContact CE-CB 4.25Å; M551-H585 WeakPolarHBondContact CE-CD2 3.49Å; M551-H585 WeakPolarHBondContact CE-NE2 3.5Å; L554-H585 HydrophobicContact CD1-CB 4.18Å; L581-H585 WeakPolarHBondContact O-CB 3.33Å; L581-H585 PolarHBondContact O-N 3.35Å; H585-L589 VanDerWaalsContact O-CD1 3.31Å; H585-L589 WeakPolarHBondContact O-CD1 3.47Å
586I93.3Very high89.9Confident0 Ų028.3 Ų28.30%015%0.154CC..Iπ-helixtrans-106.8-58.2-177.5-61.7-62.4000112L539 L554 V572 L581 M582 P588 L589 M590L539-I586 HydrophobicContact CD2-CD1 3.56Å; L539-I586 HydrophobicContact CD2-CG1 3.73Å; L554-I586 HydrophobicContact CD1-CD1 3.82Å; L554-I586 HydrophobicContact CD2-CD1 3.53Å; L554-I586 HydrophobicContact CG-CD1 4.33Å; V572-I586 HydrophobicContact CB-CG2 4.46Å; V572-I586 HydrophobicContact CG1-CG2 4.36Å; V572-I586 HydrophobicContact CG2-CG2 3.98Å; L581-I586 PolarHBondContact O-N 3.03Å; M582-I586 PolarHBondContact O-N 3.48Å; M582-I586 HydrophobicContact SD-CB 4.4Å; M582-I586 HydrophobicContact SD-CG1 4.25Å; M582-I586 HydrophobicContact SD-CG2 4.49Å; I586-P588 VanDerWaalsContact C-CD 3.42Å; I586-L589 WeakPolarHBondContact O-CA 3.47Å; I586-L589 WeakPolarHBondContact O-CB 3.35Å; I586-L589 PolarHBondContact O-N 2.93Å; I586-M590 HydrophobicContact CG2-SD 3.44Å; I586-M590 WeakPolarHBondContact CG2-SD 3.49Å; I586-M590 WeakPolarHBondContact O-CG 3.28Å
587L91Very high90Very high14 Ų1426.9 Ų26.97%0.07315%0.147CC..G310 helixtrans-60.3-32.9-176.9-63.5169.8000114.5F345 L413 W577 M582 V583 L589 M590 V593 V595F345-L587 HydrophobicContact CE2-CD1 4.09Å; F345-L587 HydrophobicContact CZ-CB 4.37Å; F345-L587 HydrophobicContact CZ-CD1 3.7Å; L413-L587 HydrophobicContact CD2-CD2 3.87Å; W577-L587 HydrophobicContact CH2-CD1 3.9Å; W577-L587 HydrophobicContact CZ2-CD1 4.23Å; M582-L587 WeakPolarHBondContact O-CB 3.35Å; M582-L587 VanDerWaalsContact O-CG 3.25Å; M582-L587 WeakPolarHBondContact O-CG 3.09Å; M582-L587 PolarHBondContact O-N 2.91Å; V583-L587 HydrophobicContact CG2-CD1 4.28Å; L587-L589 PolarHBondContact O-N 2.9Å; L587-M590 PolarHBondContact O-N 2.92Å; L587-V593 HydrophobicContact CD2-CG1 4.06Å; L587-V593 HydrophobicContact CD2-CG2 4.37Å; L587-V595 HydrophobicContact CD2-CG2 4.05Å
588P89.8Confident90.1Very high88 Ų8829.1 Ų29.157%0.57116%0.159SC*.G310 helixtrans-61-22.9172-25.436.9000113.9V583 I586 M590V583-P588 WeakPolarHBondContact O-CD 3.32Å; V583-P588 WeakPolarHBondContact O-CG 3.44Å; I586-P588 VanDerWaalsContact C-CD 3.42Å; P588-M590 VanDerWaalsContact C-N 3.32Å
589L89.9Confident90.3Very high22 Ų2228.1 Ų28.112%0.11516%0.155CC..G310 helixtrans-89.46.1177.3-47.8-176.8000112.9P558 L563 L570 H585 I586 L587P558-L589 HydrophobicContact CB-CD2 3.97Å; P558-L589 HydrophobicContact CG-CD2 3.94Å; L563-L589 HydrophobicContact CD1-CB 3.85Å; L563-L589 HydrophobicContact CD1-CD1 3.96Å; L563-L589 HydrophobicContact CD1-CD2 4.22Å; L563-L589 HydrophobicContact CD1-CG 4.23Å; L570-L589 HydrophobicContact CD2-CB 3.81Å; L570-L589 HydrophobicContact CD2-CD1 4.32Å; H585-L589 VanDerWaalsContact O-CD1 3.31Å; H585-L589 WeakPolarHBondContact O-CD1 3.47Å; I586-L589 WeakPolarHBondContact O-CA 3.47Å; I586-L589 WeakPolarHBondContact O-CB 3.35Å; I586-L589 PolarHBondContact O-N 2.93Å; L587-L589 PolarHBondContact O-N 2.9Å
590M90.6Very high90.6Very high2 Ų226.7 Ų26.71%0.0115%0.146CC..  trans-139.966.9-169-51.8174.984.900111.7V412 L413 L570 V572 I586 L587 P588 D592 V593V412-M590 VanDerWaalsContact O-CE 3.27Å; V412-M590 WeakPolarHBondContact O-CE 3.21Å; L413-M590 HydrophobicContact CB-CE 4.25Å; L570-M590 HydrophobicContact CB-CE 4.43Å; L570-M590 HydrophobicContact CB-CG 4.2Å; L570-M590 HydrophobicContact CD2-CG 3.74Å; L570-M590 HydrophobicContact CD2-SD 4.19Å; L570-M590 HydrophobicContact CG-CE 4.44Å; L570-M590 HydrophobicContact CG-CG 4.31Å; L570-M590 WeakPolarHBondContact O-CE 3.44Å; V572-M590 HydrophobicContact CB-CE 4.45Å; V572-M590 HydrophobicContact CG2-CE 3.98Å; V572-M590 HydrophobicContact CG2-SD 4.08Å; I586-M590 HydrophobicContact CG2-SD 3.44Å; I586-M590 WeakPolarHBondContact CG2-SD 3.49Å; I586-M590 WeakPolarHBondContact O-CG 3.28Å; L587-M590 PolarHBondContact O-N 2.92Å; P588-M590 VanDerWaalsContact C-N 3.32Å; M590-D592 VanDerWaalsContact C-N 3.27Å; M590-D592 PolarHBondContact O-N 2.89Å; M590-V593 HydrophobicContact CB-CB 3.8Å; M590-V593 HydrophobicContact CB-CG2 4.24Å; M590-V593 HydrophobicContact CE-CG2 3.84Å; M590-V593 WeakPolarHBondContact O-CB 3.47Å; M590-V593 WeakPolarHBondContact O-CG1 3.47Å; M590-V593 PolarHBondContact O-N 2.76Å; M590-V593 HydrophobicContact SD-CG2 4.22Å
591P80.8Confident91Very high49 Ų4924.5 Ų24.532%0.31814%0.135SC..THydrogen-bonded Turntrans-54.6-41.2-175.319.7-32.1000113.4R362R362-P591 WeakPolarHBondContact CD-O 3.38Å; R362-P591 PolarHBondContact NE-O 3.39Å
592D83.4Confident91.3Very high29 Ų2924.7 Ų24.716%0.15514%0.135CC..THydrogen-bonded Turntrans-105.836.1-175.7-58.2-77.9000113.1H363 H405 M590H363-D592 IonicContact CD2-OD1 2.84Å; H363-D592 IonicContact CE1-OD1 3.71Å; H363-D592 IonicContact NE2-OD1 2.98Å; H363-D592 PolarHBondContact NE2-OD1 3.06Å; H405-D592 PolarHBondContact CE1-O 3.42Å; H405-D592 PolarHBondContact NE2-O 2.83Å; M590-D592 VanDerWaalsContact C-N 3.27Å; M590-D592 PolarHBondContact O-N 2.89Å
593V92.1Very high91.3Very high5 Ų524.7 Ų24.73%0.0314%0.135CC..  trans-64.1137.7-178.266.70000113.3W360 S411 L413 L587 M590 V595W360-V593 HydrophobicContact CZ3-CG1 3.97Å; S411-V593 WeakPolarHBondContact O-CA 3.43Å; L413-V593 HydrophobicContact CB-CG2 3.98Å; L587-V593 HydrophobicContact CD2-CG1 4.06Å; L587-V593 HydrophobicContact CD2-CG2 4.37Å; M590-V593 HydrophobicContact CB-CB 3.8Å; M590-V593 HydrophobicContact CB-CG2 4.24Å; M590-V593 HydrophobicContact CE-CG2 3.84Å; M590-V593 WeakPolarHBondContact O-CB 3.47Å; M590-V593 WeakPolarHBondContact O-CG1 3.47Å; M590-V593 PolarHBondContact O-N 2.76Å; M590-V593 HydrophobicContact SD-CG2 4.22Å; V593-V595 HydrophobicContact CG1-CG2 3.97Å; V593-V595 HydrophobicContact CG2-CG2 3.83Å
594L94.7Very high91.5Very high0 Ų022.2 Ų22.20%012%0.12CC..EExtended strand (participates in β ladder)trans-97.7114.4153.4169.767000108W360 V365 F401 H405 S411 V412 L413 L596W360-L594 CarbonylContact O-C 3.5Å; W360-L594 WeakPolarHBondContact O-CA 3.36Å; V365-L594 HydrophobicContact CG1-CD2 4.49Å; V365-L594 HydrophobicContact CG2-CD1 4.26Å; V365-L594 HydrophobicContact CG2-CD2 4.36Å; F401-L594 HydrophobicContact CB-CD2 4.07Å; F401-L594 WeakPolarHBondContact O-CD2 3.32Å; H405-L594 HydrophobicContact CB-CD2 3.69Å; H405-L594 VanDerWaalsContact CD2-CB 3.42Å; H405-L594 WeakPolarHBondContact CD2-CB 3.26Å; H405-L594 VanDerWaalsContact NE2-CB 3.31Å; H405-L594 WeakPolarHBondContact NE2-CB 3.28Å; H405-L594 PolarHBondContact NE2-N 3.3Å; S411-L594 PolarHBondContact O-N 3Å; V412-L594 WeakPolarHBondContact CA-O 3.5Å; V412-L594 HydrophobicContact CG2-CB 4.22Å; V412-L594 HydrophobicContact CG2-CD2 4.27Å; V412-L594 HydrophobicContact CG2-CG 4.31Å; V412-L594 VanDerWaalsContact CG2-O 3.31Å; V412-L594 WeakPolarHBondContact CG2-O 3.42Å; L413-L594 PolarHBondContact N-O 3.31Å; L594-L596 HydrophobicContact CD1-CD2 3.74Å; L594-L596 HydrophobicContact CD1-CG 4.34Å; L594-L596 HydrophobicContact CD2-CD1 4.14Å; L594-L596 HydrophobicContact CD2-CD2 4.08Å; L594-L596 HydrophobicContact CD2-CG 4.15Å; L594-L596 HydrophobicContact CG-CD1 4.44Å; L594-L596 HydrophobicContact CG-CD2 3.86Å; L594-L596 HydrophobicContact CG-CG 3.93Å
595V95.1Very high91.7Very high1 Ų117.1 Ų17.11%0.00610%0.098CC..EExtended strand (participates in β ladder)trans-92.7130.4172.3-171.20000108.2G359 W360 L413 W577 L587 V593 F597G359-V595 CarbonylContact C-O 3.49Å; G359-V595 VanDerWaalsContact CA-O 3.27Å; G359-V595 WeakPolarHBondContact CA-O 3.4Å; W360-V595 HydrophobicContact CE3-CG2 4.25Å; W360-V595 PolarHBondContact N-O 2.95Å; W360-V595 PolarHBondContact O-N 3.19Å; L413-V595 HydrophobicContact CB-CG2 4.47Å; L413-V595 HydrophobicContact CD2-CG1 4.25Å; L413-V595 HydrophobicContact CD2-CG2 4.46Å; L413-V595 HydrophobicContact CG-CG1 4.33Å; L413-V595 CarbonylContact O-C 3.26Å; L413-V595 WeakPolarHBondContact O-CA 3.23Å; W577-V595 HydrophobicContact CH2-CG1 4.43Å; W577-V595 HydrophobicContact CZ3-CG1 3.96Å; L587-V595 HydrophobicContact CD2-CG2 4.05Å; V593-V595 HydrophobicContact CG1-CG2 3.97Å; V593-V595 HydrophobicContact CG2-CG2 3.83Å; V595-F597 HydrophobicContact CG1-CD2 4.19Å; V595-F597 HydrophobicContact CG1-CE2 3.46Å; V595-F597 VanDerWaalsContact CG1-CE2 3.46Å; V595-F597 HydrophobicContact CG1-CZ 3.87Å
596L95.9Very high91.7Very high0 Ų015.6 Ų15.60%09%0.09CC..EExtended strand (participates in β ladder)trans-126.3130.3178.9-62.6179.1000110.9V357 L358 V398 F401 A402 L413 V414 V415 L594V357-L596 HydrophobicContact CG1-CB 4.37Å; V357-L596 HydrophobicContact CG1-CD2 4.01Å; L358-L596 WeakPolarHBondContact O-CA 3.42Å; V398-L596 HydrophobicContact CB-CD1 4.14Å; V398-L596 HydrophobicContact CG1-CB 4.33Å; V398-L596 WeakPolarHBondContact O-CD1 3.43Å; F401-L596 HydrophobicContact CB-CD1 4.08Å; F401-L596 HydrophobicContact CB-CD2 3.8Å; F401-L596 HydrophobicContact CD2-CD2 4.37Å; F401-L596 HydrophobicContact CG-CD2 4.2Å; A402-L596 HydrophobicContact CB-CD1 3.9Å; L413-L596 PolarHBondContact O-N 3.19Å; V414-L596 HydrophobicContact CG1-CB 4.37Å; V414-L596 HydrophobicContact CG2-CD1 4.31Å; V415-L596 PolarHBondContact N-O 3.47Å; L594-L596 HydrophobicContact CD1-CD2 3.74Å; L594-L596 HydrophobicContact CD1-CG 4.34Å; L594-L596 HydrophobicContact CD2-CD1 4.14Å; L594-L596 HydrophobicContact CD2-CD2 4.08Å; L594-L596 HydrophobicContact CD2-CG 4.15Å; L594-L596 HydrophobicContact CG-CD1 4.44Å; L594-L596 HydrophobicContact CG-CD2 3.86Å; L594-L596 HydrophobicContact CG-CG 3.93Å
597F95.3Very high91.3Very high2 Ų215.7 Ų15.71%0.0099%0.091CC..EExtended strand (participates in β ladder)trans-116117.5170.5-59.1-96.1000110.1V357 L358 V415 W577 V595 E602 A603 Y606V357-F597 VanDerWaalsContact CA-O 3.32Å; V357-F597 WeakPolarHBondContact CA-O 3.48Å; L358-F597 HydrophobicContact CB-CB 4.33Å; L358-F597 HydrophobicContact CD2-CD2 4.13Å; L358-F597 PolarHBondContact N-O 2.89Å; L358-F597 PolarHBondContact O-N 3.45Å; V415-F597 HydrophobicContact CB-CD1 4.02Å; V415-F597 HydrophobicContact CB-CE1 4.23Å; V415-F597 HydrophobicContact CG1-CD1 4.12Å; V415-F597 HydrophobicContact CG1-CE1 4.29Å; V415-F597 WeakPolarHBondContact O-CA 3.43Å; W577-F597 HydrophobicContact CB-CE1 4.22Å; W577-F597 AromaticContact CD2-CE1 3.9Å; W577-F597 HydrophobicContact CD2-CE1 3.9Å; W577-F597 AromaticContact CD2-CZ 3.92Å; W577-F597 HydrophobicContact CD2-CZ 3.92Å; W577-F597 AromaticContact CE3-CE1 3.42Å; W577-F597 HydrophobicContact CE3-CE1 3.42Å; W577-F597 VanDerWaalsContact CE3-CE1 3.42Å; W577-F597 AromaticContact CE3-CZ 3.38Å; W577-F597 HydrophobicContact CE3-CZ 3.38Å; W577-F597 HydrophobicContact CG-CE1 4.22Å; W577-F597 HydrophobicContact CH2-CZ 4.26Å; W577-F597 HydrophobicContact CZ3-CE1 4.06Å; W577-F597 AromaticContact CZ3-CZ 3.56Å; W577-F597 HydrophobicContact CZ3-CZ 3.56Å; V595-F597 HydrophobicContact CG1-CD2 4.19Å; V595-F597 HydrophobicContact CG1-CE2 3.46Å; V595-F597 VanDerWaalsContact CG1-CE2 3.46Å; V595-F597 HydrophobicContact CG1-CZ 3.87Å; F597-E602 HydrophobicContact CD1-CB 4.25Å; F597-A603 HydrophobicContact CB-CB 3.69Å; F597-A603 HydrophobicContact CD1-CB 4.03Å; F597-A603 HydrophobicContact CD2-CB 4.25Å; F597-A603 HydrophobicContact CG-CB 3.75Å; F597-Y606 HydrophobicContact CD2-CD1 4.41Å; F597-Y606 HydrophobicContact CE1-CG 4.27Å; F597-Y606 AromaticContact CE2-CD1 3.47Å; F597-Y606 HydrophobicContact CE2-CD1 3.47Å; F597-Y606 VanDerWaalsContact CE2-CD1 3.47Å; F597-Y606 HydrophobicContact CE2-CD2 4.41Å; F597-Y606 AromaticContact CE2-CE1 3.93Å; F597-Y606 HydrophobicContact CE2-CE1 3.93Å; F597-Y606 AromaticContact CE2-CG 3.74Å; F597-Y606 HydrophobicContact CE2-CG 3.74Å; F597-Y606 AromaticContact CZ-CD1 3.62Å; F597-Y606 HydrophobicContact CZ-CD1 3.62Å; F597-Y606 AromaticContact CZ-CD2 3.95Å; F597-Y606 HydrophobicContact CZ-CD2 3.95Å; F597-Y606 HydrophobicContact CZ-CE1 4.39Å; F597-Y606 AromaticContact CZ-CG 3.36Å; F597-Y606 HydrophobicContact CZ-CG 3.36Å
598D92.9Very high91.1Very high49 Ų4916.1 Ų16.126%0.26210%0.099SC..SBendtrans-83.8-20.3166.9-164.984.1000111.5V357 V398 V415 I420V357-D598 HydrophobicContact CG2-CB 4.46Å; V398-D598 HydrophobicContact CG1-CB 3.8Å; V415-D598 PolarHBondContact O-N 2.96Å; I420-D598 HydrophobicContact CD1-CB 3.46Å; I420-D598 VanDerWaalsContact CD1-CB 3.46Å; I420-D598 VanDerWaalsContact CG2-OD2 3.29Å; I420-D598 WeakPolarHBondContact CG2-OD2 3.18Å
599D93.6Very high91.1Very high6 Ų612.5 Ų12.53%0.0328%0.075CC..  trans-106.2114.6-179.9-162.6-58.1000111.4N417 L601 E602 A603 K720N417-D599 PolarHBondContact ND2-OD2 3.08Å; N417-D599 PolarHBondContact OD1-OD2 3.46Å; D599-L601 VanDerWaalsContact C-N 3.31Å; D599-L601 PolarHBondContact O-N 2.92Å; D599-L601 PolarHBondContact OD1-N 3.12Å; D599-E602 HydrophobicContact CB-CB 4.02Å; D599-E602 HydrophobicContact CB-CG 3.76Å; D599-E602 PolarHBondContact O-N 2.93Å; D599-E602 PolarHBondContact OD1-N 3.17Å; D599-A603 WeakPolarHBondContact O-CB 3.42Å; D599-A603 PolarHBondContact O-N 3.04Å; D599-K720 WeakPolarHBondContact OD2-CE 3.48Å; D599-K720 IonicContact OD2-NZ 2.67Å; D599-K720 PolarHBondContact OD2-NZ 2.89Å
600A93.6Very high91.1Very high4 Ų416.4 Ų16.43%0.0339%0.093CC..Hα-helixtrans-72.2-21.5-17400000114.2S604 F723 S724 Y727A600-S604 WeakPolarHBondContact O-CB 3.43Å; A600-S604 PolarHBondContact O-N 3.18Å; A600-S604 VanDerWaalsContact O-N 3.13Å; A600-S604 PolarHBondContact O-OG 3.1Å; A600-F723 HydrophobicContact CB-CB 3.99Å; A600-F723 WeakPolarHBondContact O-CB 3.43Å; A600-S724 VanDerWaalsContact CB-N 3.33Å; A600-Y727 HydrophobicContact CB-CE1 3.63Å; A600-Y727 WeakPolarHBondContact CB-OH 3.22Å
601L94.9Very high91.2Very high2 Ų218 Ų181%0.0110%0.101CC..Hα-helixtrans-77.3-41.3174.7174.359.2000110.3D599 A603 S604 V605 L611 W716 K720 F723 F759D599-L601 VanDerWaalsContact C-N 3.31Å; D599-L601 PolarHBondContact O-N 2.92Å; D599-L601 PolarHBondContact OD1-N 3.12Å; L601-A603 VanDerWaalsContact C-N 3.32Å; L601-A603 PolarHBondContact O-N 2.79Å; L601-S604 WeakPolarHBondContact O-CB 3.36Å; L601-S604 PolarHBondContact O-N 3.07Å; L601-S604 VanDerWaalsContact O-N 3.08Å; L601-V605 PolarHBondContact O-N 2.88Å; L601-L611 HydrophobicContact CD1-CD1 4.2Å; L601-W716 HydrophobicContact CD2-CH2 4.26Å; L601-W716 HydrophobicContact CD2-CZ2 4.12Å; L601-K720 HydrophobicContact CB-CB 4.05Å; L601-K720 HydrophobicContact CB-CD 4.13Å; L601-K720 HydrophobicContact CB-CG 3.94Å; L601-K720 HydrophobicContact CD2-CD 3.93Å; L601-K720 HydrophobicContact CD2-CG 3.77Å; L601-F723 HydrophobicContact CB-CD2 4.03Å; L601-F723 HydrophobicContact CB-CG 4.24Å; L601-F723 HydrophobicContact CD1-CD1 3.95Å; L601-F723 HydrophobicContact CD1-CD2 3.97Å; L601-F723 HydrophobicContact CD1-CE1 3.77Å; L601-F723 HydrophobicContact CD1-CE2 3.8Å; L601-F723 HydrophobicContact CD1-CG 4.06Å; L601-F723 HydrophobicContact CD1-CZ 3.71Å; L601-F723 HydrophobicContact CG-CD2 4.48Å; L601-F759 HydrophobicContact CD1-CE1 4.01Å; L601-F759 HydrophobicContact CD1-CE2 4.31Å; L601-F759 HydrophobicContact CD1-CZ 3.73Å; L601-F759 HydrophobicContact CD2-CD1 4.41Å; L601-F759 HydrophobicContact CD2-CD2 3.74Å; L601-F759 HydrophobicContact CD2-CE1 4.2Å; L601-F759 HydrophobicContact CD2-CE2 3.47Å; L601-F759 VanDerWaalsContact CD2-CE2 3.47Å; L601-F759 HydrophobicContact CD2-CG 4.2Å; L601-F759 HydrophobicContact CD2-CZ 3.74Å; L601-F759 HydrophobicContact CG-CD2 4.27Å; L601-F759 HydrophobicContact CG-CE1 4.08Å; L601-F759 HydrophobicContact CG-CE2 3.48Å; L601-F759 VanDerWaalsContact CG-CE2 3.48Å; L601-F759 HydrophobicContact CG-CZ 3.38Å
602E94.4Very high91.7Very high11 Ų1117.7 Ų17.75%0.05110%0.097CC..Hα-helixtrans-60.4-42.2170.6-61.7-66.2146.900111.4V415 I576 W577 F597 D599 S604 V605 Y606 F759 H763V415-E602 HydrophobicContact CG1-CB 4.27Å; I576-E602 VanDerWaalsContact CA-OE2 3.26Å; I576-E602 WeakPolarHBondContact CA-OE2 3.27Å; W577-E602 PolarHBondContact N-OE2 3.32Å; F597-E602 HydrophobicContact CD1-CB 4.25Å; D599-E602 HydrophobicContact CB-CB 4.02Å; D599-E602 HydrophobicContact CB-CG 3.76Å; D599-E602 PolarHBondContact O-N 2.93Å; D599-E602 PolarHBondContact OD1-N 3.17Å; E602-S604 PolarHBondContact O-N 3.16Å; E602-V605 PolarHBondContact O-N 2.82Å; E602-Y606 PolarHBondContact O-N 3.1Å; E602-Y606 VanDerWaalsContact O-N 3.11Å; E602-F759 WeakPolarHBondContact OE1-CE2 3.07Å; E602-H763 IonicContact OE1-CE1 2.93Å; E602-H763 IonicContact OE1-NE2 2.7Å; E602-H763 PolarHBondContact OE1-NE2 3.12Å; E602-H763 VanDerWaalsContact OE1-NE2 3.11Å; E602-H763 IonicContact OE2-CE1 2.7Å; E602-H763 PolarHBondContact OE2-CE1 2.99Å; E602-H763 IonicContact OE2-NE2 3.9Å; E602-H763 PolarHBondContact OE2-NE2 3.44Å
603A92.4Very high92.2Very high0 Ų017.6 Ų17.60%010%0.097CC..Hα-helixtrans-61.4-27.9173.800000113.4L358 F597 D599 L601 G607 Y727L358-A603 HydrophobicContact CB-CB 4.46Å; L358-A603 HydrophobicContact CD2-CB 3.9Å; F597-A603 HydrophobicContact CB-CB 3.69Å; F597-A603 HydrophobicContact CD1-CB 4.03Å; F597-A603 HydrophobicContact CD2-CB 4.25Å; F597-A603 HydrophobicContact CG-CB 3.75Å; D599-A603 WeakPolarHBondContact O-CB 3.42Å; D599-A603 PolarHBondContact O-N 3.04Å; L601-A603 VanDerWaalsContact C-N 3.32Å; L601-A603 PolarHBondContact O-N 2.79Å; A603-G607 PolarHBondContact O-N 3.03Å; A603-Y727 HydrophobicContact CB-CE1 3.97Å
604S91.8Very high92.3Very high1 Ų120 Ų201%0.00711%0.106CC..Hα-helixtrans-78.6-31.8178.4-64.80000112.4A600 L601 E602 G607 G608 V609 F723A600-S604 WeakPolarHBondContact O-CB 3.43Å; A600-S604 PolarHBondContact O-N 3.18Å; A600-S604 VanDerWaalsContact O-N 3.13Å; A600-S604 PolarHBondContact O-OG 3.1Å; L601-S604 WeakPolarHBondContact O-CB 3.36Å; L601-S604 PolarHBondContact O-N 3.07Å; L601-S604 VanDerWaalsContact O-N 3.08Å; E602-S604 PolarHBondContact O-N 3.16Å; S604-G607 CarbonylContact O-C 3.57Å; S604-G607 WeakPolarHBondContact O-CA 3.38Å; S604-G607 PolarHBondContact O-N 3.26Å; S604-G608 PolarHBondContact O-N 3.33Å; S604-G608 VanDerWaalsContact O-N 3.17Å; S604-V609 WeakPolarHBondContact O-CB 3.39Å; S604-V609 PolarHBondContact O-N 3.43Å; S604-F723 WeakPolarHBondContact OG-CB 3.49Å
605V91.1Very high92.2Very high17 Ų1721.5 Ų21.510%0.10312%0.115CC..Hα-helixtrans-68.9-44.8169.8177.50000110.9L601 E602 G607 G608 F759L601-V605 PolarHBondContact O-N 2.88Å; E602-V605 PolarHBondContact O-N 2.82Å; V605-G607 PolarHBondContact O-N 2.87Å; V605-G608 PolarHBondContact O-N 3.31Å; V605-F759 HydrophobicContact CG2-CE1 3.77Å; V605-F759 HydrophobicContact CG2-CZ 3.53Å
606Y89.3Confident92.1Very high25 Ų2521.5 Ų21.510%0.09812%0.115CC..Hα-helixtrans-52.7-37.5168.8165.2-112.1000112.2W577 F597 E602W577-Y606 HydrophobicContact CD2-CD2 4.36Å; W577-Y606 AromaticContact CE2-CD2 3.67Å; W577-Y606 AromaticContact CH2-CD2 3.8Å; W577-Y606 HydrophobicContact CH2-CD2 3.8Å; W577-Y606 HydrophobicContact CH2-CE2 4.14Å; W577-Y606 AromaticContact CZ2-CD2 3.4Å; W577-Y606 HydrophobicContact CZ2-CD2 3.4Å; W577-Y606 AromaticContact CZ2-CE2 4Å; W577-Y606 HydrophobicContact CZ2-CE2 4Å; W577-Y606 HydrophobicContact CZ2-CG 4.35Å; W577-Y606 HydrophobicContact CZ3-CD2 4.45Å; F597-Y606 HydrophobicContact CD2-CD1 4.41Å; F597-Y606 HydrophobicContact CE1-CG 4.27Å; F597-Y606 AromaticContact CE2-CD1 3.47Å; F597-Y606 HydrophobicContact CE2-CD1 3.47Å; F597-Y606 VanDerWaalsContact CE2-CD1 3.47Å; F597-Y606 HydrophobicContact CE2-CD2 4.41Å; F597-Y606 AromaticContact CE2-CE1 3.93Å; F597-Y606 HydrophobicContact CE2-CE1 3.93Å; F597-Y606 AromaticContact CE2-CG 3.74Å; F597-Y606 HydrophobicContact CE2-CG 3.74Å; F597-Y606 AromaticContact CZ-CD1 3.62Å; F597-Y606 HydrophobicContact CZ-CD1 3.62Å; F597-Y606 AromaticContact CZ-CD2 3.95Å; F597-Y606 HydrophobicContact CZ-CD2 3.95Å; F597-Y606 HydrophobicContact CZ-CE1 4.39Å; F597-Y606 AromaticContact CZ-CG 3.36Å; F597-Y606 HydrophobicContact CZ-CG 3.36Å; E602-Y606 PolarHBondContact O-N 3.1Å; E602-Y606 VanDerWaalsContact O-N 3.11Å
607G84.8Confident91.6Very high2 Ų223.6 Ų23.62%0.02113%0.132CC..THydrogen-bonded Turntrans-76.4-7.3177.100000117.2A603 S604 V605 V609 V738A603-G607 PolarHBondContact O-N 3.03Å; S604-G607 CarbonylContact O-C 3.57Å; S604-G607 WeakPolarHBondContact O-CA 3.38Å; S604-G607 PolarHBondContact O-N 3.26Å; V605-G607 PolarHBondContact O-N 2.87Å; G607-V609 VanDerWaalsContact C-N 3.28Å; G607-V609 PolarHBondContact O-N 2.91Å; G607-V738 VanDerWaalsContact O-CB 3.28Å; G607-V738 WeakPolarHBondContact O-CB 3.44Å; G607-V738 WeakPolarHBondContact O-CG2 3.49Å
608G86.6Confident91.3Very high24 Ų2428.6 Ų28.625%0.24716%0.159CC..THydrogen-bonded Turntrans62.931.8-172.500000114S604 V605S604-G608 PolarHBondContact O-N 3.33Å; S604-G608 VanDerWaalsContact O-N 3.17Å; V605-G608 PolarHBondContact O-N 3.31Å
609V89.6Confident91Very high12 Ų1229.7 Ų29.77%0.07316%0.162CC..  trans-69.1128.4170.9175.50000109.1S604 G607 L611 F726 V738 G739S604-V609 WeakPolarHBondContact O-CB 3.39Å; S604-V609 PolarHBondContact O-N 3.43Å; G607-V609 VanDerWaalsContact C-N 3.28Å; G607-V609 PolarHBondContact O-N 2.91Å; V609-L611 HydrophobicContact CG1-CD2 4.38Å; V609-F726 HydrophobicContact CG1-CD2 4.08Å; V609-F726 HydrophobicContact CG1-CE1 4.39Å; V609-F726 HydrophobicContact CG1-CE2 3.68Å; V609-F726 HydrophobicContact CG1-CZ 3.84Å; V609-F726 HydrophobicContact CG2-CB 4.41Å; V609-F726 HydrophobicContact CG2-CD1 4.48Å; V609-F726 HydrophobicContact CG2-CD2 4.21Å; V609-F726 HydrophobicContact CG2-CG 4.14Å; V609-V738 HydrophobicContact CG2-CG1 4.39Å; V609-G739 WeakPolarHBondContact CA-O 3.18Å
610Q90.8Very high90.7Very high103 Ų10333.9 Ų33.948%0.48119%0.19SC..EExtended strand (participates in β ladder)trans-76131.1178.6-66.2178.6-13.700110.5G739 Q740 S741Q610-G739 PolarHBondContact N-O 3.19Å; Q610-Q740 HydrophobicContact CB-CG 4.36Å; Q610-Q740 WeakPolarHBondContact O-CA 3.49Å; Q610-S741 PolarHBondContact O-N 3.3Å
611L92.5Very high90.5Very high37 Ų3737 Ų3719%0.19420%0.204CC..EExtended strand (participates in β ladder)trans-107123.3175.9-54.6-172.9000110.3L601 V609 F723 F759 Y760 L765L601-L611 HydrophobicContact CD1-CD1 4.2Å; V609-L611 HydrophobicContact CG1-CD2 4.38Å; L611-F723 HydrophobicContact CD2-CE1 3.61Å; L611-F723 HydrophobicContact CD2-CZ 4.15Å; L611-F759 HydrophobicContact CD1-CD1 4.25Å; L611-F759 HydrophobicContact CD1-CE1 3.76Å; L611-Y760 VanDerWaalsContact C-OH 3.26Å; L611-Y760 HydrophobicContact CB-CE2 4.22Å; L611-Y760 VanDerWaalsContact CB-OH 3.22Å; L611-Y760 WeakPolarHBondContact CB-OH 3.08Å; L611-Y760 HydrophobicContact CD1-CE2 4.21Å; L611-Y760 PolarHBondContact O-OH 3.4Å; L611-L765 HydrophobicContact CD1-CD1 3.87Å
612D91.9Very high90.3Very high41 Ų4137 Ų3722%0.21920%0.204CC..EExtended strand (participates in β ladder)trans-118.3138.7173178.314.4000108.9R614 S741 V742 V743D612-R614 IonicContact OD1-NE 3.69Å; D612-R614 IonicContact OD2-CZ 3.74Å; D612-R614 VanDerWaalsContact OD2-CZ 3.23Å; D612-R614 IonicContact OD2-NE 3.19Å; D612-R614 PolarHBondContact OD2-NE 3.01Å; D612-R614 IonicContact OD2-NH2 3.29Å; D612-R614 PolarHBondContact OD2-NH2 3.43Å; D612-S741 PolarHBondContact N-O 2.84Å; D612-V742 HydrophobicContact CB-CG1 4.41Å; D612-V742 HydrophobicContact CB-CG2 4.19Å; D612-V742 WeakPolarHBondContact O-CA 3.23Å; D612-V743 PolarHBondContact O-N 3.13Å
613V93.9Very high90Very high28 Ų2837.4 Ų37.417%0.1721%0.206CC..EExtended strand (participates in β ladder)trans-132.1107.3178.9-175.90000108.6V743 A745 L756 Y760 L771V613-V743 WeakPolarHBondContact CA-O 3.5Å; V613-V743 HydrophobicContact CG1-CB 4.43Å; V613-V743 HydrophobicContact CG2-CB 4.25Å; V613-V743 HydrophobicContact CG2-CG2 4.46Å; V613-A745 HydrophobicContact CG1-CB 4.23Å; V613-L756 HydrophobicContact CG1-CD1 4.25Å; V613-L756 HydrophobicContact CG2-CD1 4.11Å; V613-Y760 HydrophobicContact CG2-CE2 4.25Å; V613-L771 HydrophobicContact CB-CD1 4.33Å; V613-L771 HydrophobicContact CG1-CD1 4.03Å; V613-L771 HydrophobicContact CG1-CD2 4.09Å
614R93.5Very high89.8Confident56 Ų5642.1 Ų42.121%0.21123%0.228CC..EExtended strand (participates in β ladder)trans-98.4120.4177.8-55.8-173.3-172-163-6.1108.3D612 V616 V742 V743 F744 A745D612-R614 IonicContact OD1-NE 3.69Å; D612-R614 IonicContact OD2-CZ 3.74Å; D612-R614 VanDerWaalsContact OD2-CZ 3.23Å; D612-R614 IonicContact OD2-NE 3.19Å; D612-R614 PolarHBondContact OD2-NE 3.01Å; D612-R614 IonicContact OD2-NH2 3.29Å; D612-R614 PolarHBondContact OD2-NH2 3.43Å; R614-V616 HydrophobicContact CB-CG2 4.08Å; R614-V742 HydrophobicContact CG-CG1 4.22Å; R614-V743 PolarHBondContact N-O 2.97Å; R614-F744 HydrophobicContact CB-CD1 4.21Å; R614-F744 WeakPolarHBondContact O-CA 3.37Å; R614-A745 PolarHBondContact O-N 2.91Å
615V92.9Very high89.6Confident30 Ų3044.4 Ų44.418%0.18224%0.239CC..EExtended strand (participates in β ladder)trans-87123.1172.9-179.80000107.7A745 P747 L771 I774V615-A745 CarbonylContact C-O 3.51Å; V615-A745 VanDerWaalsContact CA-O 3.25Å; V615-A745 WeakPolarHBondContact CA-O 3.38Å; V615-P747 HydrophobicContact CG1-CG 3.74Å; V615-L771 HydrophobicContact CG2-CD2 3.44Å; V615-L771 VanDerWaalsContact CG2-CD2 3.44Å; V615-I774 HydrophobicContact CB-CD1 4.22Å; V615-I774 HydrophobicContact CG1-CD1 3.71Å; V615-I774 HydrophobicContact CG2-CD1 3.69Å
616V92.3Very high89.5Confident1 Ų143.6 Ų43.61%0.00623%0.234CC..  trans-141.7122.1-171.1-1700000107.5R614 E621 K622 A745R614-V616 HydrophobicContact CB-CG2 4.08Å; V616-E621 HydrophobicContact CG1-CB 3.65Å; V616-E621 HydrophobicContact CG1-CG 3.67Å; V616-E621 VanDerWaalsContact CG1-OE2 3.26Å; V616-E621 WeakPolarHBondContact CG1-OE2 3.37Å; V616-K622 HydrophobicContact CB-CG 3.92Å; V616-K622 HydrophobicContact CG1-CB 4.19Å; V616-K622 HydrophobicContact CG1-CG 3.51Å; V616-A745 PolarHBondContact N-O 3.01Å
617A86.3Confident89.3Confident44 Ų4445.8 Ų45.836%0.36424%0.244SC..  trans-80.2-52.5-175.500000111E621 K746 P747A617-E621 PolarHBondContact N-OE2 3.24Å; A617-K746 PolarHBondContact O-NZ 2.93Å; A617-P747 HydrophobicContact CB-CG 4.47Å
618D87.6Confident89.3Confident107 Ų10748.1 Ų48.157%0.57226%0.263SS*.SBendtrans-104.3146.7-166.1-65.6-53.9000112.6E621 K622D618-E621 WeakPolarHBondContact O-CB 3.41Å; D618-E621 PolarHBondContact O-N 2.77Å; D618-K622 PolarHBondContact O-N 2.93Å; D618-K622 VanDerWaalsContact O-N 3.09Å
619E87.2Confident89.3Confident72 Ų7247 Ų4734%0.33625%0.252SS..Hα-helixtrans-64.4-36.6-179-64.1-64.2133.600113.6E621 K622 I623 Y710 K746E619-E621 VanDerWaalsContact C-N 3.32Å; E619-E621 PolarHBondContact O-N 3.41Å; E619-K622 WeakPolarHBondContact O-CB 3.45Å; E619-K622 PolarHBondContact O-N 3.32Å; E619-K622 WeakPolarHBondContact OE1-CE 3.4Å; E619-K622 IonicContact OE1-NZ 3.65Å; E619-K622 PolarHBondContact OE1-NZ 3.13Å; E619-K622 IonicContact OE2-NZ 2.74Å; E619-I623 WeakPolarHBondContact O-CG1 3.12Å; E619-I623 PolarHBondContact O-N 3.09Å; E619-I623 VanDerWaalsContact O-N 3.09Å; E619-Y710 VanDerWaalsContact OE2-CE1 3.28Å; E619-Y710 WeakPolarHBondContact OE2-CE1 3.38Å; E619-Y710 VanDerWaalsContact OE2-CZ 3.31Å; E619-Y710 PolarHBondContact OE2-OH 3.13Å; E619-K746 WeakPolarHBondContact OE1-CE 3.35Å; E619-K746 IonicContact OE1-NZ 3.76Å; E619-K746 PolarHBondContact OE1-NZ 2.92Å
620P87.9Confident88.8Confident95 Ų9547.9 Ų47.962%0.61726%0.256SS*.Hα-helixtrans-58.2-40.6170.5-26.336.3000113.3K622 I623 E624P620-K622 VanDerWaalsContact C-N 3.35Å; P620-K622 PolarHBondContact O-N 3Å; P620-I623 PolarHBondContact O-N 3.07Å; P620-I623 VanDerWaalsContact O-N 3.12Å; P620-E624 PolarHBondContact O-N 2.99Å
621E88.8Confident88.2Confident69 Ų6945.4 Ų45.432%0.32225%0.253SS..Hα-helixtrans-65-38.2177.3-168-173.7-145.900111.1V616 A617 D618 E619 I623 E624 H625V616-E621 HydrophobicContact CG1-CB 3.65Å; V616-E621 HydrophobicContact CG1-CG 3.67Å; V616-E621 VanDerWaalsContact CG1-OE2 3.26Å; V616-E621 WeakPolarHBondContact CG1-OE2 3.37Å; A617-E621 PolarHBondContact N-OE2 3.24Å; D618-E621 WeakPolarHBondContact O-CB 3.41Å; D618-E621 PolarHBondContact O-N 2.77Å; E619-E621 VanDerWaalsContact C-N 3.32Å; E619-E621 PolarHBondContact O-N 3.41Å; E621-I623 VanDerWaalsContact C-N 3.31Å; E621-I623 PolarHBondContact O-N 2.99Å; E621-E624 PolarHBondContact O-N 3.49Å; E621-H625 PolarHBondContact O-CD2 3.36Å; E621-H625 PolarHBondContact O-N 3.35Å
622K90.1Very high87.4Confident2 Ų248.6 Ų48.61%0.00927%0.266CS..Hα-helixtrans-60.1-40171.2-74.5-172.4179.4178.40112V616 D618 E619 P620 L626 Y710 S711 F744V616-K622 HydrophobicContact CB-CG 3.92Å; V616-K622 HydrophobicContact CG1-CB 4.19Å; V616-K622 HydrophobicContact CG1-CG 3.51Å; D618-K622 PolarHBondContact O-N 2.93Å; D618-K622 VanDerWaalsContact O-N 3.09Å; E619-K622 WeakPolarHBondContact O-CB 3.45Å; E619-K622 PolarHBondContact O-N 3.32Å; E619-K622 WeakPolarHBondContact OE1-CE 3.4Å; E619-K622 IonicContact OE1-NZ 3.65Å; E619-K622 PolarHBondContact OE1-NZ 3.13Å; E619-K622 IonicContact OE2-NZ 2.74Å; P620-K622 VanDerWaalsContact C-N 3.35Å; P620-K622 PolarHBondContact O-N 3Å; K622-L626 WeakPolarHBondContact O-CB 3.34Å; K622-L626 PolarHBondContact O-N 3.22Å; K622-Y710 HydrophobicContact CB-CE2 4.2Å; K622-Y710 HydrophobicContact CD-CE1 3.96Å; K622-Y710 HydrophobicContact CD-CE2 4.15Å; K622-Y710 PolarHBondContact NZ-O 2.83Å; K622-S711 PolarHBondContact NZ-OG 3.01Å; K622-F744 HydrophobicContact CB-CD2 4.15Å; K622-F744 HydrophobicContact CB-CE2 4.28Å; K622-F744 HydrophobicContact CD-CB 4.45Å; K622-F744 HydrophobicContact CD-CD2 4.07Å; K622-F744 HydrophobicContact CG-CD2 4.01Å
623I88.7Confident86.4Confident19 Ų1949.7 Ų49.710%0.09727%0.268CS..Hα-helixtrans-68.2-37.5178.2-62.6-61.4000111.3E619 P620 E621 L626 K627 L654 I661 Y710E619-I623 WeakPolarHBondContact O-CG1 3.12Å; E619-I623 PolarHBondContact O-N 3.09Å; E619-I623 VanDerWaalsContact O-N 3.09Å; P620-I623 PolarHBondContact O-N 3.07Å; P620-I623 VanDerWaalsContact O-N 3.12Å; E621-I623 VanDerWaalsContact C-N 3.31Å; E621-I623 PolarHBondContact O-N 2.99Å; I623-L626 PolarHBondContact O-N 2.99Å; I623-K627 HydrophobicContact CG2-CD 4.47Å; I623-K627 WeakPolarHBondContact O-CG 3.36Å; I623-K627 PolarHBondContact O-N 3.45Å; I623-L654 HydrophobicContact CD1-CD1 3.48Å; I623-L654 VanDerWaalsContact CD1-CD1 3.48Å; I623-I661 HydrophobicContact CG2-CD1 4.14Å; I623-Y710 HydrophobicContact CD1-CE2 4.48Å
624E87.9Confident85Confident99 Ų9955.9 Ų55.946%0.46329%0.288SS..Hα-helixtrans-68.7-42.1173.5-60.3-42.812200112.7P620 E621 L626 K627 A628P620-E624 PolarHBondContact O-N 2.99Å; E621-E624 PolarHBondContact O-N 3.49Å; E624-L626 VanDerWaalsContact C-N 3.26Å; E624-L626 PolarHBondContact O-N 2.98Å; E624-K627 WeakPolarHBondContact O-CB 3.46Å; E624-K627 PolarHBondContact O-N 3.04Å; E624-K627 IonicContact OE1-NZ 2.73Å; E624-K627 PolarHBondContact OE1-NZ 2.86Å; E624-K627 WeakPolarHBondContact OE2-CD 3.48Å; E624-K627 IonicContact OE2-NZ 3.81Å; E624-K627 PolarHBondContact OE2-NZ 2.67Å; E624-A628 PolarHBondContact O-N 3.31Å
625H88.4Confident83.2Confident49 Ų4959.2 Ų59.223%0.22731%0.31CS..Hα-helixtrans-61.3-35.2171.9-79.6-57.4000112.7E621 A628 L629 F744E621-H625 PolarHBondContact O-CD2 3.36Å; E621-H625 PolarHBondContact O-N 3.35Å; H625-A628 PolarHBondContact O-N 2.65Å; H625-L629 WeakPolarHBondContact O-CG 3.41Å; H625-L629 PolarHBondContact O-N 2.73Å; H625-F744 HydrophobicContact CB-CE1 4.4Å; H625-F744 HydrophobicContact CB-CZ 4.17Å
626L88.8Confident81.2Confident0 Ų066 Ų660%034%0.338CS..Hα-helixtrans-71-40.9176-179.252.8000112.4K622 I623 E624 A628 L629 I630 M643 L654 L658 I708 Y710 F744K622-L626 WeakPolarHBondContact O-CB 3.34Å; K622-L626 PolarHBondContact O-N 3.22Å; I623-L626 PolarHBondContact O-N 2.99Å; E624-L626 VanDerWaalsContact C-N 3.26Å; E624-L626 PolarHBondContact O-N 2.98Å; L626-A628 VanDerWaalsContact C-N 3.32Å; L626-A628 PolarHBondContact O-N 2.69Å; L626-L629 PolarHBondContact O-N 3.04Å; L626-I630 HydrophobicContact CD1-CD1 3.75Å; L626-I630 HydrophobicContact CD1-CG1 4.12Å; L626-I630 HydrophobicContact CG-CD1 3.92Å; L626-I630 VanDerWaalsContact O-CG1 3.29Å; L626-I630 WeakPolarHBondContact O-CG1 3.33Å; L626-I630 PolarHBondContact O-N 2.96Å; L626-M643 HydrophobicContact CD1-CE 3.33Å; L626-M643 HydrophobicContact CD2-CE 3.46Å; L626-M643 VanDerWaalsContact CD2-CE 3.46Å; L626-M643 HydrophobicContact CD2-SD 4.35Å; L626-M643 HydrophobicContact CG-CE 4.05Å; L626-L654 HydrophobicContact CD2-CD1 4.38Å; L626-L658 HydrophobicContact CD2-CD2 3.84Å; L626-L658 HydrophobicContact CG-CD2 4.4Å; L626-I708 HydrophobicContact CD1-CD1 3.8Å; L626-Y710 HydrophobicContact CD2-CE2 4.41Å; L626-F744 HydrophobicContact CB-CE2 4.25Å; L626-F744 HydrophobicContact CB-CZ 4.28Å
627K84.4Confident79.4Confident71 Ų7167.8 Ų67.831%0.30935%0.352SS..Hα-helixtrans-56-47.6169.4-79.3162.1168.6177.90111.2I623 E624 I630 A631 I661I623-K627 HydrophobicContact CG2-CD 4.47Å; I623-K627 WeakPolarHBondContact O-CG 3.36Å; I623-K627 PolarHBondContact O-N 3.45Å; E624-K627 WeakPolarHBondContact O-CB 3.46Å; E624-K627 PolarHBondContact O-N 3.04Å; E624-K627 IonicContact OE1-NZ 2.73Å; E624-K627 PolarHBondContact OE1-NZ 2.86Å; E624-K627 WeakPolarHBondContact OE2-CD 3.48Å; E624-K627 IonicContact OE2-NZ 3.81Å; E624-K627 PolarHBondContact OE2-NZ 2.67Å; K627-I630 PolarHBondContact O-N 3.38Å; K627-A631 VanDerWaalsContact O-CB 3.26Å; K627-A631 WeakPolarHBondContact O-CB 3.41Å; K627-A631 PolarHBondContact O-N 3.29Å; K627-I661 HydrophobicContact CD-CD1 4.14Å; K627-I661 HydrophobicContact CG-CD1 3.53Å
628A86.3Confident78.3Confident52 Ų5271.4 Ų71.443%0.4337%0.365SS..Hα-helixtrans-59.2-48.6179.400000111.7E624 H625 L626 I630 A631 E632E624-A628 PolarHBondContact O-N 3.31Å; H625-A628 PolarHBondContact O-N 2.65Å; L626-A628 VanDerWaalsContact C-N 3.32Å; L626-A628 PolarHBondContact O-N 2.69Å; A628-I630 PolarHBondContact O-N 3.03Å; A628-A631 PolarHBondContact O-N 2.83Å; A628-E632 VanDerWaalsContact O-CB 3.25Å; A628-E632 WeakPolarHBondContact O-CB 3.28Å; A628-E632 PolarHBondContact O-N 3.44Å
629L85.4Confident77.6Confident1 Ų169.5 Ų69.51%0.00535%0.353CS..Hα-helixtrans-57.9-44.2176.1-78.8163000113.2H625 L626 R633 V742 F744H625-L629 WeakPolarHBondContact O-CG 3.41Å; H625-L629 PolarHBondContact O-N 2.73Å; L626-L629 PolarHBondContact O-N 3.04Å; L629-R633 WeakPolarHBondContact O-CB 3.24Å; L629-R633 WeakPolarHBondContact O-CG 3.45Å; L629-R633 PolarHBondContact O-N 3.21Å; L629-R633 VanDerWaalsContact O-N 3.1Å; L629-V742 HydrophobicContact CD1-CG1 4.07Å; L629-V742 HydrophobicContact CD2-CG2 4.11Å; L629-F744 HydrophobicContact CD1-CE1 3.94Å; L629-F744 HydrophobicContact CD1-CZ 3.91Å
630I79.3Confident77.3Confident30 Ų3067.2 Ų67.215%0.15434%0.344CS..Hα-helixtrans-70.2-40.6-179.6-67.3168000110.7L626 K627 A628 R634 V663L626-I630 HydrophobicContact CD1-CD1 3.75Å; L626-I630 HydrophobicContact CD1-CG1 4.12Å; L626-I630 HydrophobicContact CG-CD1 3.92Å; L626-I630 VanDerWaalsContact O-CG1 3.29Å; L626-I630 WeakPolarHBondContact O-CG1 3.33Å; L626-I630 PolarHBondContact O-N 2.96Å; K627-I630 PolarHBondContact O-N 3.38Å; A628-I630 PolarHBondContact O-N 3.03Å; I630-R634 WeakPolarHBondContact O-CB 3.39Å; I630-R634 VanDerWaalsContact O-CG 3.29Å; I630-R634 WeakPolarHBondContact O-CG 3.38Å; I630-R634 PolarHBondContact O-N 3.16Å; I630-V663 HydrophobicContact CD1-CG1 4.08Å; I630-V663 HydrophobicContact CD1-CG2 4.32Å
631A78.3Confident77.3Confident51 Ų5163.4 Ų63.442%0.42132%0.321SS..Hα-helixtrans-67.3-43.1177.900000112.1K627 A628 N635K627-A631 VanDerWaalsContact O-CB 3.26Å; K627-A631 WeakPolarHBondContact O-CB 3.41Å; K627-A631 PolarHBondContact O-N 3.29Å; A628-A631 PolarHBondContact O-N 2.83Å; A631-N635 PolarHBondContact O-ND2 2.87Å
632E76.3Confident77.5Confident103 Ų10360.1 Ų60.148%0.48131%0.306SS..Hα-helixtrans-57.4-52174.2-179.1178.3-159.900110.9A628 R634 N635 F636A628-E632 VanDerWaalsContact O-CB 3.25Å; A628-E632 WeakPolarHBondContact O-CB 3.28Å; A628-E632 PolarHBondContact O-N 3.44Å; E632-R634 PolarHBondContact O-N 3.48Å; E632-N635 WeakPolarHBondContact O-CB 3.11Å; E632-N635 PolarHBondContact O-N 2.72Å; E632-F636 WeakPolarHBondContact O-CD2 3.2Å
633R70Confident77.8Confident65 Ų6560 Ų6025%0.24531%0.305CS..Hα-helixtrans-63.5-40.3-179-76.1-75175.7164.5-5113.5L629 N635 F636 A637 E639 L706L629-R633 WeakPolarHBondContact O-CB 3.24Å; L629-R633 WeakPolarHBondContact O-CG 3.45Å; L629-R633 PolarHBondContact O-N 3.21Å; L629-R633 VanDerWaalsContact O-N 3.1Å; R633-N635 PolarHBondContact O-N 2.83Å; R633-N635 VanDerWaalsContact O-N 3.07Å; R633-F636 PolarHBondContact O-N 3.1Å; R633-A637 PolarHBondContact O-N 2.65Å; R633-A637 VanDerWaalsContact O-N 3.16Å; R633-A637 VanDerWaalsContact O-O 3.07Å; R633-E639 IonicContact CZ-OE2 3.87Å; R633-E639 IonicContact NH1-OE2 2.73Å; R633-E639 PolarHBondContact NH1-OE2 3.12Å; R633-L706 HydrophobicContact CG-CD2 4.2Å
634R65.4Low78.1Confident157 Ų15759.1 Ų59.159%0.59230%0.301SS*.Hα-helixtrans-54.4-26.7176.3-82.8176.8178.2-173.31.5113.6I630 E632I630-R634 WeakPolarHBondContact O-CB 3.39Å; I630-R634 VanDerWaalsContact O-CG 3.29Å; I630-R634 WeakPolarHBondContact O-CG 3.38Å; I630-R634 PolarHBondContact O-N 3.16Å; E632-R634 PolarHBondContact O-N 3.48Å
635N55.3Low78.5Confident127 Ų12754.4 Ų54.468%0.67928%0.279SS*.THydrogen-bonded Turntrans-81.3-19.5-179.3-61.8-27.1000114A631 E632 R633A631-N635 PolarHBondContact O-ND2 2.87Å; E632-N635 WeakPolarHBondContact O-CB 3.11Å; E632-N635 PolarHBondContact O-N 2.72Å; R633-N635 PolarHBondContact O-N 2.83Å; R633-N635 VanDerWaalsContact O-N 3.07Å
636F50.1Low78.5Confident173 Ų17354 Ų5476%0.75928%0.281SS*.THydrogen-bonded Turntrans-113.3-35.9-171.7-69.4-69.2000114.2E632 R633E632-F636 WeakPolarHBondContact O-CD2 3.2Å; R633-F636 PolarHBondContact O-N 3.1Å
637A54.5Low78.5Confident37 Ų3757.2 Ų57.231%0.30630%0.299SS..  trans-161.4148.6171.200000111.9R633 E639R633-A637 PolarHBondContact O-N 2.65Å; R633-A637 VanDerWaalsContact O-N 3.16Å; R633-A637 VanDerWaalsContact O-O 3.07Å; A637-E639 HydrophobicContact CB-CB 4.4Å; A637-E639 HydrophobicContact CB-CG 3.6Å; A637-E639 PolarHBondContact O-N 2.86Å
638N63.3Low78.9Confident121 Ų12156.6 Ų56.665%0.64730%0.303SS*.  trans-75.169.2169.6-94.9-52.9000110.1S686N638-S686 VanDerWaalsContact C-CB 3.48Å; N638-S686 WeakPolarHBondContact OD1-CB 3.44Å; N638-S686 PolarHBondContact OD1-OG 2.92Å
639E72.8Confident79.3Confident66 Ų6658.3 Ų58.331%0.30831%0.308SS..  trans-99.4141.3-171.1-88.6179.3173.800113.5R633 A637 P685 P705R633-E639 IonicContact CZ-OE2 3.87Å; R633-E639 IonicContact NH1-OE2 2.73Å; R633-E639 PolarHBondContact NH1-OE2 3.12Å; A637-E639 HydrophobicContact CB-CB 4.4Å; A637-E639 HydrophobicContact CB-CG 3.6Å; A637-E639 PolarHBondContact O-N 2.86Å; E639-P685 CarbonylContact C-O 3.49Å; E639-P705 HydrophobicContact CB-CG 3.59Å; E639-P705 HydrophobicContact CG-CB 4.33Å; E639-P705 HydrophobicContact CG-CG 3.65Å
640P82.1Confident79.6Confident25 Ų2559.6 Ų59.616%0.16231%0.314CS..  trans-76.8141.4179.127.4-30000111.5W680 P685 P705P640-W680 HydrophobicContact CB-CH2 4.07Å; P640-W680 HydrophobicContact CB-CZ2 3.59Å; P640-P685 WeakPolarHBondContact CA-O 3.29Å; P640-P685 VanDerWaalsContact CB-O 3.32Å; P640-P685 WeakPolarHBondContact CB-O 3.32Å; P640-P685 WeakPolarHBondContact CD-O 3.44Å; P640-P685 VanDerWaalsContact N-O 3.09Å; P640-P705 VanDerWaalsContact O-CD 3.3Å; P640-P705 WeakPolarHBondContact O-CD 3.4Å
641A88.3Confident80.4Confident15 Ų1558.2 Ų58.212%0.12431%0.307CS..EExtended strand (participates in β ladder)trans-122.9138.7175.800000111.3G687 L688 L689 L706A641-G687 PolarHBondContact N-O 2.94Å; A641-L688 HydrophobicContact CB-CD1 3.74Å; A641-L689 PolarHBondContact O-N 3.11Å; A641-L706 HydrophobicContact CB-CB 4.23Å; A641-L706 HydrophobicContact CB-CD2 4.21Å; A641-L706 HydrophobicContact CB-CG 4.36Å
642V93Very high81Confident0 Ų060.3 Ų60.30%031%0.311CS..EExtended strand (participates in β ladder)trans-111135.7171.7-1770000109.1W680 L689 V691 C701 I704 L706 L707 I708 L725V642-W680 HydrophobicContact CG2-CH2 3.64Å; V642-W680 HydrophobicContact CG2-CZ2 4.18Å; V642-W680 HydrophobicContact CG2-CZ3 4.45Å; V642-L689 HydrophobicContact CG2-CD2 4.47Å; V642-V691 HydrophobicContact CG1-CG1 4.38Å; V642-V691 HydrophobicContact CG1-CG2 3.94Å; V642-C701 HydrophobicContact CG2-CB 4.28Å; V642-I704 HydrophobicContact CG2-CB 4.46Å; V642-I704 HydrophobicContact CG2-CD1 4.47Å; V642-I704 HydrophobicContact CG2-CG2 3.75Å; V642-L706 PolarHBondContact N-O 3.23Å; V642-L706 VanDerWaalsContact N-O 3.08Å; V642-L707 HydrophobicContact CB-CD1 4.2Å; V642-L707 HydrophobicContact CG1-CD1 4.31Å; V642-L707 CarbonylContact O-C 3.53Å; V642-L707 WeakPolarHBondContact O-CA 3.39Å; V642-I708 PolarHBondContact O-N 2.66Å; V642-L725 HydrophobicContact CG1-CD1 3.94Å
643M94.7Very high81.8Confident0 Ų060.1 Ų60.10%031%0.312CS..EExtended strand (participates in β ladder)trans-122.8124.7177.8-179.2178.6-74.300110.4L626 L654 L688 L689 L690 V691 I708 Y710L626-M643 HydrophobicContact CD1-CE 3.33Å; L626-M643 HydrophobicContact CD2-CE 3.46Å; L626-M643 VanDerWaalsContact CD2-CE 3.46Å; L626-M643 HydrophobicContact CD2-SD 4.35Å; L626-M643 HydrophobicContact CG-CE 4.05Å; M643-L654 HydrophobicContact SD-CD2 3.41Å; M643-L654 WeakPolarHBondContact SD-CD2 3.27Å; M643-L654 HydrophobicContact SD-CG 4.46Å; M643-L688 HydrophobicContact CB-CD1 4.06Å; M643-L688 HydrophobicContact CE-CD1 4.4Å; M643-L688 HydrophobicContact CE-CD2 4.13Å; M643-L689 PolarHBondContact N-O 2.74Å; M643-L690 HydrophobicContact CB-CD2 3.94Å; M643-L690 HydrophobicContact CG-CD2 4.21Å; M643-L690 HydrophobicContact SD-CD2 3.65Å; M643-V691 PolarHBondContact O-N 3Å; M643-I708 CarbonylContact C-O 3.55Å; M643-I708 VanDerWaalsContact CA-O 3.28Å; M643-I708 WeakPolarHBondContact CA-O 3.27Å; M643-I708 HydrophobicContact CB-CB 4.26Å; M643-I708 HydrophobicContact CE-CB 3.99Å; M643-I708 HydrophobicContact CE-CD1 3.82Å; M643-I708 HydrophobicContact CE-CG1 4.5Å; M643-I708 HydrophobicContact CE-CG2 3.71Å; M643-I708 HydrophobicContact CG-CB 4.15Å; M643-I708 HydrophobicContact CG-CG2 4.27Å; M643-Y710 HydrophobicContact CE-CD2 4.41Å; M643-Y710 HydrophobicContact SD-CD2 3.99Å; M643-Y710 HydrophobicContact SD-CG 4.35Å
644V96.5Very high82.9Confident0 Ų057.2 Ų57.20%030%0.302CS..EExtended strand (participates in β ladder)trans-103.4117.2179.2-164.40000110.1V691 V696 L707 I708 Y710 R722 L725V644-V691 WeakPolarHBondContact CA-O 3.4Å; V644-V691 HydrophobicContact CB-CG2 4.27Å; V644-V691 HydrophobicContact CG1-CG2 4.24Å; V644-V691 HydrophobicContact CG2-CG2 3.83Å; V644-V696 HydrophobicContact CG1-CG2 4.28Å; V644-V696 HydrophobicContact CG2-CG2 4.42Å; V644-L707 HydrophobicContact CG2-CD1 3.89Å; V644-I708 PolarHBondContact N-O 2.64Å; V644-Y710 PolarHBondContact O-N 3.45Å; V644-R722 HydrophobicContact CB-CG 4.34Å; V644-R722 HydrophobicContact CG1-CG 4.07Å; V644-R722 VanDerWaalsContact CG1-NE 3.34Å; V644-R722 HydrophobicContact CG2-CB 4.42Å; V644-R722 HydrophobicContact CG2-CG 4.19Å; V644-R722 PolarHBondContact O-NH1 2.96Å; V644-L725 HydrophobicContact CG2-CD1 4.47Å
645C94.7Very high84.1Confident0 Ų054.1 Ų54.10%029%0.29CS..EExtended strand (participates in β ladder)trans-95.8161.8169.8-62.60000110.4E650 V651 V691C645-E650 HydrophobicContact CB-CB 4.26Å; C645-E650 HydrophobicContact CB-CG 3.98Å; C645-E650 WeakPolarHBondContact CB-OE2 3.25Å; C645-V651 HydrophobicContact CB-CG2 3.56Å; C645-V691 PolarHBondContact N-O 3.35Å
646S88.9Confident85.8Confident41 Ų4156.3 Ų56.329%0.28729%0.289SS..SBendtrans-70.3-34.2178.465.70000113.3E650S646-E650 WeakPolarHBondContact CB-OE2 3.43Å; S646-E650 PolarHBondContact N-OE2 2.96Å; S646-E650 PolarHBondContact OG-OE2 2.91Å
647N90.1Very high87.7Confident67 Ų6750.7 Ų50.736%0.35827%0.271SS..SBendtrans-153.9167.7-173.870.580.6000112.8T649 E650 V651 T692N647-T649 WeakPolarHBondContact OD1-CA 3.4Å; N647-T649 VanDerWaalsContact OD1-CB 3.26Å; N647-T649 WeakPolarHBondContact OD1-CB 3.4Å; N647-T649 PolarHBondContact OD1-N 3.36Å; N647-E650 PolarHBondContact O-N 2.8Å; N647-E650 PolarHBondContact OD1-N 2.69Å; N647-V651 PolarHBondContact O-N 2.87Å; N647-T692 VanDerWaalsContact C-CG2 3.43Å
648S92.4Very high89.3Confident58 Ų5849 Ų4941%0.40626%0.256SS..Hα-helixtrans-70.1-29.6-176.250.50000114.3V651 L652S648-V651 PolarHBondContact O-N 2.98Å; S648-L652 WeakPolarHBondContact O-CG 3.26Å; S648-L652 PolarHBondContact O-N 3.25Å
649T93.3Very high90.5Very high87 Ų8747.4 Ų47.453%0.53425%0.245SC..Hα-helixtrans-66.6-43.4175.6-52.10000110.8N647 V651 L652 L653N647-T649 WeakPolarHBondContact OD1-CA 3.4Å; N647-T649 VanDerWaalsContact OD1-CB 3.26Å; N647-T649 WeakPolarHBondContact OD1-CB 3.4Å; N647-T649 PolarHBondContact OD1-N 3.36Å; T649-V651 VanDerWaalsContact C-N 3.34Å; T649-V651 PolarHBondContact O-N 2.88Å; T649-L652 PolarHBondContact O-N 2.97Å; T649-L653 HydrophobicContact CG2-CD1 4.26Å; T649-L653 WeakPolarHBondContact O-CG 3.44Å; T649-L653 PolarHBondContact O-N 3.24Å
650E93.1Very high91.2Very high29 Ų2948.5 Ų48.514%0.13627%0.266CS..Hα-helixtrans-58.9-43.5173.4-176.1175.1-139.200111.4C645 S646 N647 L652 L653 L654 Y710 S711C645-E650 HydrophobicContact CB-CB 4.26Å; C645-E650 HydrophobicContact CB-CG 3.98Å; C645-E650 WeakPolarHBondContact CB-OE2 3.25Å; S646-E650 WeakPolarHBondContact CB-OE2 3.43Å; S646-E650 PolarHBondContact N-OE2 2.96Å; S646-E650 PolarHBondContact OG-OE2 2.91Å; N647-E650 PolarHBondContact O-N 2.8Å; N647-E650 PolarHBondContact OD1-N 2.69Å; E650-L652 PolarHBondContact O-N 3.18Å; E650-L653 PolarHBondContact O-N 3.16Å; E650-L654 WeakPolarHBondContact O-CB 3.35Å; E650-L654 PolarHBondContact O-N 3.29Å; E650-Y710 HydrophobicContact CG-CD1 4.36Å; E650-Y710 WeakPolarHBondContact OE1-CD1 3.02Å; E650-S711 WeakPolarHBondContact OE1-CB 3.48Å; E650-S711 PolarHBondContact OE1-OG 3.22Å
651V94.6Very high91.2Very high0 Ų050 Ų500%027%0.272CS..Hα-helixtrans-59-43.6173.91720000112.3C645 N647 S648 T649 R655 I667 V669 L690 T692C645-V651 HydrophobicContact CB-CG2 3.56Å; N647-V651 PolarHBondContact O-N 2.87Å; S648-V651 PolarHBondContact O-N 2.98Å; T649-V651 VanDerWaalsContact C-N 3.34Å; T649-V651 PolarHBondContact O-N 2.88Å; V651-R655 WeakPolarHBondContact O-CB 3.49Å; V651-R655 PolarHBondContact O-N 2.85Å; V651-I667 HydrophobicContact CG1-CD1 3.9Å; V651-I667 HydrophobicContact CG1-CG1 4Å; V651-I667 HydrophobicContact CG1-CG2 3.84Å; V651-V669 HydrophobicContact CB-CG1 4.08Å; V651-V669 HydrophobicContact CG1-CG1 3.86Å; V651-V669 HydrophobicContact CG2-CG1 4.13Å; V651-L690 HydrophobicContact CG1-CB 3.71Å; V651-L690 HydrophobicContact CG1-CD1 4.12Å; V651-L690 HydrophobicContact CG2-CB 4.5Å; V651-T692 HydrophobicContact CG2-CG2 4.09Å
652L92.7Very high90.9Very high95 Ų9552 Ų5250%0.49729%0.294SS..Hα-helixtrans-70.3-38.9-179.2-71.5173.4000113S648 T649 E650 R656 I667S648-L652 WeakPolarHBondContact O-CG 3.26Å; S648-L652 PolarHBondContact O-N 3.25Å; T649-L652 PolarHBondContact O-N 2.97Å; E650-L652 PolarHBondContact O-N 3.18Å; L652-R656 WeakPolarHBondContact O-CG 3.33Å; L652-R656 PolarHBondContact O-N 2.85Å; L652-I667 HydrophobicContact CD2-CD1 4.41Å
653L92.3Very high90.4Very high99 Ų9952.6 Ų52.652%0.51830%0.298SS..Hα-helixtrans-65.6-49.1174.2-69.5173000110.7T649 E650 R655 R656 S657T649-L653 HydrophobicContact CG2-CD1 4.26Å; T649-L653 WeakPolarHBondContact O-CG 3.44Å; T649-L653 PolarHBondContact O-N 3.24Å; E650-L653 PolarHBondContact O-N 3.16Å; L653-R655 VanDerWaalsContact C-N 3.32Å; L653-R655 PolarHBondContact O-N 2.99Å; L653-R656 WeakPolarHBondContact O-CB 3.16Å; L653-R656 PolarHBondContact O-N 3.33Å; L653-S657 PolarHBondContact O-N 2.94Å; L653-S657 VanDerWaalsContact O-N 3.12Å; L653-S657 PolarHBondContact O-OG 3.23Å
654L92.1Very high89.8Confident5 Ų558.5 Ų58.53%0.02633%0.329CS..Hα-helixtrans-63-36.6-179.4-174.853.5000112.3I623 L626 M643 E650 R656 S657 L658 Y710I623-L654 HydrophobicContact CD1-CD1 3.48Å; I623-L654 VanDerWaalsContact CD1-CD1 3.48Å; L626-L654 HydrophobicContact CD2-CD1 4.38Å; M643-L654 HydrophobicContact SD-CD2 3.41Å; M643-L654 WeakPolarHBondContact SD-CD2 3.27Å; M643-L654 HydrophobicContact SD-CG 4.46Å; E650-L654 WeakPolarHBondContact O-CB 3.35Å; E650-L654 PolarHBondContact O-N 3.29Å; L654-R656 VanDerWaalsContact C-N 3.31Å; L654-R656 PolarHBondContact O-N 3.33Å; L654-S657 PolarHBondContact O-N 2.9Å; L654-L658 HydrophobicContact CD1-CD1 4.32Å; L654-L658 HydrophobicContact CD1-CG 4.19Å; L654-L658 HydrophobicContact CG-CD1 4Å; L654-L658 HydrophobicContact CG-CG 4.37Å; L654-L658 WeakPolarHBondContact O-CB 3.44Å; L654-L658 VanDerWaalsContact O-CG 3.24Å; L654-L658 WeakPolarHBondContact O-CG 3.48Å; L654-L658 PolarHBondContact O-N 2.69Å; L654-Y710 HydrophobicContact CD1-CD2 4.35Å; L654-Y710 HydrophobicContact CD1-CE2 3.71Å; L654-Y710 HydrophobicContact CD2-CD1 4.04Å; L654-Y710 HydrophobicContact CD2-CD2 3.5Å; L654-Y710 VanDerWaalsContact CD2-CD2 3.5Å; L654-Y710 HydrophobicContact CD2-CE1 4.23Å; L654-Y710 HydrophobicContact CD2-CE2 3.69Å; L654-Y710 HydrophobicContact CD2-CG 3.69Å; L654-Y710 HydrophobicContact CG-CE2 4.38Å
655R91.5Very high89.3Confident92 Ų9258.8 Ų58.835%0.34733%0.332SS..Hα-helixtrans-56.9-43.3172.3-163.8-145.1-172.3130.77112V651 L653 L658 Q659 I667 L690V651-R655 WeakPolarHBondContact O-CB 3.49Å; V651-R655 PolarHBondContact O-N 2.85Å; L653-R655 VanDerWaalsContact C-N 3.32Å; L653-R655 PolarHBondContact O-N 2.99Å; R655-L658 PolarHBondContact O-N 3.23Å; R655-Q659 WeakPolarHBondContact O-CB 3.48Å; R655-Q659 VanDerWaalsContact O-CG 3.26Å; R655-Q659 WeakPolarHBondContact O-CG 3.48Å; R655-Q659 PolarHBondContact O-N 2.62Å; R655-Q659 PolarHBondContact O-OE1 2.9Å; R655-I667 HydrophobicContact CB-CD1 3.99Å; R655-I667 HydrophobicContact CG-CD1 3.86Å; R655-L690 HydrophobicContact CB-CD1 4.03Å
656R91.3Very high89.1Confident173 Ų17360.4 Ų60.465%0.65334%0.339SS*.Hα-helixtrans-65.1-46.1178.5-65.9171.6-178.1176.60.4111.1L652 L653 L654 L658 Q659 A660L652-R656 WeakPolarHBondContact O-CG 3.33Å; L652-R656 PolarHBondContact O-N 2.85Å; L653-R656 WeakPolarHBondContact O-CB 3.16Å; L653-R656 PolarHBondContact O-N 3.33Å; L654-R656 VanDerWaalsContact C-N 3.31Å; L654-R656 PolarHBondContact O-N 3.33Å; R656-L658 VanDerWaalsContact C-N 3.32Å; R656-L658 PolarHBondContact O-N 3.08Å; R656-Q659 PolarHBondContact O-N 3.26Å; R656-A660 WeakPolarHBondContact O-CB 3.43Å; R656-A660 PolarHBondContact O-N 2.88Å
657S89.4Confident89.3Confident54 Ų5459.2 Ų59.238%0.37833%0.329SS..Hα-helixtrans-59.3-41.8176.2-56.20000112.1L653 L654 A660 I661L653-S657 PolarHBondContact O-N 2.94Å; L653-S657 VanDerWaalsContact O-N 3.12Å; L653-S657 PolarHBondContact O-OG 3.23Å; L654-S657 PolarHBondContact O-N 2.9Å; S657-A660 PolarHBondContact O-N 3.3Å; S657-I661 PolarHBondContact O-N 2.84Å
658L87.8Confident89.3Confident1 Ų156 Ų561%0.00531%0.312CS..Hα-helixtrans-66.6-43176.3-72.9170.4000112.7L626 L654 R655 R656 A660 I661 G662 V663 A665 L688 L690L626-L658 HydrophobicContact CD2-CD2 3.84Å; L626-L658 HydrophobicContact CG-CD2 4.4Å; L654-L658 HydrophobicContact CD1-CD1 4.32Å; L654-L658 HydrophobicContact CD1-CG 4.19Å; L654-L658 HydrophobicContact CG-CD1 4Å; L654-L658 HydrophobicContact CG-CG 4.37Å; L654-L658 WeakPolarHBondContact O-CB 3.44Å; L654-L658 VanDerWaalsContact O-CG 3.24Å; L654-L658 WeakPolarHBondContact O-CG 3.48Å; L654-L658 PolarHBondContact O-N 2.69Å; R655-L658 PolarHBondContact O-N 3.23Å; R656-L658 VanDerWaalsContact C-N 3.32Å; R656-L658 PolarHBondContact O-N 3.08Å; L658-A660 VanDerWaalsContact C-N 3.34Å; L658-A660 PolarHBondContact O-N 2.83Å; L658-I661 HydrophobicContact CD2-CD1 4.26Å; L658-I661 CarbonylContact O-C 3.51Å; L658-I661 WeakPolarHBondContact O-CG1 3.4Å; L658-I661 PolarHBondContact O-N 2.72Å; L658-I661 VanDerWaalsContact O-N 3.16Å; L658-G662 PolarHBondContact O-N 3.48Å; L658-V663 CarbonylContact C-O 3.57Å; L658-V663 VanDerWaalsContact C-O 3.26Å; L658-V663 HydrophobicContact CB-CB 4.15Å; L658-V663 HydrophobicContact CB-CG1 4.4Å; L658-V663 HydrophobicContact CD2-CB 4.05Å; L658-V663 HydrophobicContact CD2-CG1 4Å; L658-V663 WeakPolarHBondContact O-CA 3.44Å; L658-V663 PolarHBondContact O-N 3.31Å; L658-A665 HydrophobicContact CD1-CB 4.19Å; L658-L688 HydrophobicContact CD1-CD2 3.71Å; L658-L690 HydrophobicContact CD1-CD1 4.18Å; L658-L690 HydrophobicContact CD1-CD2 4.03Å
659Q88.4Confident89.2Confident88 Ų8855.3 Ų55.341%0.41131%0.305SS..Hα-helixtrans-64-38.7176.7-74.6175.8-59.200111.9R655 R656 I661 G662R655-Q659 WeakPolarHBondContact O-CB 3.48Å; R655-Q659 VanDerWaalsContact O-CG 3.26Å; R655-Q659 WeakPolarHBondContact O-CG 3.48Å; R655-Q659 PolarHBondContact O-N 2.62Å; R655-Q659 PolarHBondContact O-OE1 2.9Å; R656-Q659 PolarHBondContact O-N 3.26Å; Q659-I661 PolarHBondContact O-N 3.43Å; Q659-G662 PolarHBondContact O-N 2.77Å; Q659-G662 VanDerWaalsContact O-N 3.13Å
660A87.7Confident89.1Confident89 Ų8953.7 Ų53.774%0.73630%0.298SS*.Hα-helixtrans-62.7-20175.700000113.9R656 S657 L658R656-A660 WeakPolarHBondContact O-CB 3.43Å; R656-A660 PolarHBondContact O-N 2.88Å; S657-A660 PolarHBondContact O-N 3.3Å; L658-A660 VanDerWaalsContact C-N 3.34Å; L658-A660 PolarHBondContact O-N 2.83Å
661I82.2Confident88.6Confident57 Ų5756.9 Ų56.929%0.29231%0.312SS..THydrogen-bonded Turntrans-108.616.6177.266.6166000113.1I623 K627 S657 L658 Q659 V663I623-I661 HydrophobicContact CG2-CD1 4.14Å; K627-I661 HydrophobicContact CD-CD1 4.14Å; K627-I661 HydrophobicContact CG-CD1 3.53Å; S657-I661 PolarHBondContact O-N 2.84Å; L658-I661 HydrophobicContact CD2-CD1 4.26Å; L658-I661 CarbonylContact O-C 3.51Å; L658-I661 WeakPolarHBondContact O-CG1 3.4Å; L658-I661 PolarHBondContact O-N 2.72Å; L658-I661 VanDerWaalsContact O-N 3.16Å; Q659-I661 PolarHBondContact O-N 3.43Å; I661-V663 HydrophobicContact CD1-CG2 4.21Å; I661-V663 HydrophobicContact CG1-CB 4.47Å; I661-V663 HydrophobicContact CG1-CG2 4.15Å; I661-V663 PolarHBondContact O-N 2.9Å
662G81.9Confident88.1Confident57 Ų5761.1 Ų61.159%0.58835%0.347SS*.THydrogen-bonded Turntrans74.720.2176.800000115.2L658 Q659L658-G662 PolarHBondContact O-N 3.48Å; Q659-G662 PolarHBondContact O-N 2.77Å; Q659-G662 VanDerWaalsContact O-N 3.13Å
663V82.1Confident87.8Confident13 Ų1357.9 Ų57.98%0.07933%0.332CS..  trans-104107.1174.3179.20000109.9I630 L658 I661I630-V663 HydrophobicContact CD1-CG1 4.08Å; I630-V663 HydrophobicContact CD1-CG2 4.32Å; L658-V663 CarbonylContact C-O 3.57Å; L658-V663 VanDerWaalsContact C-O 3.26Å; L658-V663 HydrophobicContact CB-CB 4.15Å; L658-V663 HydrophobicContact CB-CG1 4.4Å; L658-V663 HydrophobicContact CD2-CB 4.05Å; L658-V663 HydrophobicContact CD2-CG1 4Å; L658-V663 WeakPolarHBondContact O-CA 3.44Å; L658-V663 PolarHBondContact O-N 3.31Å; I661-V663 HydrophobicContact CD1-CG2 4.21Å; I661-V663 HydrophobicContact CG1-CB 4.47Å; I661-V663 HydrophobicContact CG1-CG2 4.15Å; I661-V663 PolarHBondContact O-N 2.9Å
664N82.2Confident87.5Confident124 Ų12456.2 Ų56.266%0.66332%0.32SS*.  trans-75.8131.1169.4-76.1-37.8000110.5
665A87.3Confident87.1Confident6 Ų659.6 Ų59.65%0.0534%0.344CS..EExtended strand (participates in β ladder)trans-131.9137.8176.700000111.2L658 L688 L690L658-A665 HydrophobicContact CD1-CB 4.19Å; A665-L688 CarbonylContact C-O 3.23Å; A665-L688 VanDerWaalsContact CA-O 3.28Å; A665-L688 WeakPolarHBondContact CA-O 3.38Å; A665-L688 HydrophobicContact CB-CB 4.08Å; A665-L688 HydrophobicContact CB-CD2 4.27Å; A665-L688 HydrophobicContact CB-CG 4.36Å; A665-L690 HydrophobicContact CB-CD1 4.14Å; A665-L690 HydrophobicContact CB-CD2 4.4Å; A665-L690 HydrophobicContact CB-CG 3.96Å
666H89.8Confident86.8Confident33 Ų3357.7 Ų57.715%0.15334%0.341CS..EExtended strand (participates in β ladder)trans-83.3160.2171-69.8-99.9000109.8E679 W680 Q683 S684 L688 L689 L690H666-E679 VanDerWaalsContact CE1-CG 3.47Å; H666-E679 WeakPolarHBondContact CE1-CG 3.28Å; H666-W680 HydrophobicContact CB-CB 3.96Å; H666-W680 HydrophobicContact CB-CG 4.28Å; H666-W680 AromaticContact CD2-CD1 3.68Å; H666-Q683 PolarHBondContact CE1-OE1 2.87Å; H666-S684 WeakPolarHBondContact NE2-CB 3.44Å; H666-S684 PolarHBondContact NE2-OG 3.41Å; H666-L688 PolarHBondContact N-O 3.3Å; H666-L689 HydrophobicContact CB-CD1 3.83Å; H666-L690 PolarHBondContact O-N 3.02Å
667I92.4Very high86.5Confident16 Ų1649.8 Ų49.88%0.08231%0.312CS..EExtended strand (participates in β ladder)trans-131.6134.4-174.9-67.5-177.3000111V651 L652 R655 V669 N676 L690V651-I667 HydrophobicContact CG1-CD1 3.9Å; V651-I667 HydrophobicContact CG1-CG1 4Å; V651-I667 HydrophobicContact CG1-CG2 3.84Å; L652-I667 HydrophobicContact CD2-CD1 4.41Å; R655-I667 HydrophobicContact CB-CD1 3.99Å; R655-I667 HydrophobicContact CG-CD1 3.86Å; I667-V669 HydrophobicContact CG2-CG1 3.76Å; I667-V669 HydrophobicContact CG2-CG2 4.46Å; I667-N676 WeakPolarHBondContact O-CB 3.26Å; I667-N676 PolarHBondContact O-ND2 2.95Å; I667-L690 WeakPolarHBondContact CA-O 3.49Å; I667-L690 HydrophobicContact CG1-CB 4.36Å; I667-L690 HydrophobicContact CG1-CD1 4.4Å
668C91.8Very high86.2Confident0 Ų050.3 Ų50.30%032%0.319CS..EExtended strand (participates in β ladder)trans-136.4101.1165.8-169.20000110.3C673 V677 L689 L690 V691 V695C668-C673 HydrophobicContact CB-CB 4.26Å; C668-C673 PolarHBondContact SG-O 3.49Å; C668-C673 VanDerWaalsContact SG-O 3.39Å; C668-V677 HydrophobicContact CB-CG2 3.99Å; C668-L689 HydrophobicContact CB-CD1 4.35Å; C668-L690 PolarHBondContact N-O 3.31Å; C668-V691 HydrophobicContact CB-CG1 4.09Å; C668-V691 VanDerWaalsContact O-CA 3.32Å; C668-V691 WeakPolarHBondContact O-CA 3.24Å; C668-V695 WeakPolarHBondContact O-CG2 3.44Å
669V90.5Very high85.9Confident43 Ų4353.7 Ų53.726%0.26134%0.335SS..  trans-110.6-7.3-178.9-63.90000114.3V651 I667 T692V651-V669 HydrophobicContact CB-CG1 4.08Å; V651-V669 HydrophobicContact CG1-CG1 3.86Å; V651-V669 HydrophobicContact CG2-CG1 4.13Å; I667-V669 HydrophobicContact CG2-CG1 3.76Å; I667-V669 HydrophobicContact CG2-CG2 4.46Å; V669-T692 HydrophobicContact CB-CG2 4.39Å; V669-T692 HydrophobicContact CG1-CG2 4.1Å; V669-T692 PolarHBondContact O-OG1 3.37Å
670S89.3Confident85.8Confident54 Ų5449.5 Ų49.538%0.37832%0.315SS..SBendtrans-152.5167.3176.770.30000110.4A672 C673S670-A672 PolarHBondContact O-N 3.33Å; S670-C673 WeakPolarHBondContact O-CB 3.48Å; S670-C673 PolarHBondContact O-N 3.28Å
671E84.2Confident85.4Confident95 Ų9548.9 Ų48.944%0.44430%0.299SS..G310 helixtrans-61.5-28.9-179.3-53.5-150.3107.300113C673 Y674 R698E671-C673 PolarHBondContact O-N 3.29Å; E671-C673 VanDerWaalsContact O-N 3.17Å; E671-Y674 HydrophobicContact CB-CD2 3.94Å; E671-Y674 HydrophobicContact CB-CE2 3.48Å; E671-Y674 VanDerWaalsContact CB-CE2 3.48Å; E671-Y674 HydrophobicContact CG-CE2 3.67Å; E671-Y674 WeakPolarHBondContact O-CB 3.22Å; E671-Y674 WeakPolarHBondContact O-CD2 3.46Å; E671-Y674 PolarHBondContact O-N 2.97Å; E671-Y674 VanDerWaalsContact O-N 3.13Å; E671-Y674 WeakPolarHBondContact OE1-CE2 3.43Å; E671-Y674 PolarHBondContact OE1-OH 3.49Å; E671-R698 WeakPolarHBondContact OE1-CD 3.47Å; E671-R698 IonicContact OE1-CZ 3.79Å; E671-R698 IonicContact OE1-NE 3.57Å; E671-R698 IonicContact OE1-NH1 2.69Å; E671-R698 PolarHBondContact OE1-NH1 3.47Å; E671-R698 IonicContact OE2-NH1 2.74Å; E671-R698 PolarHBondContact OE2-NH1 3.14Å
672A84.3Confident85.2Confident89 Ų8954.4 Ų54.474%0.73632%0.316SS*.G310 helixtrans-63.3-18.2174.200000113.2S670S670-A672 PolarHBondContact O-N 3.33Å
673C85.4Confident84.7Confident27 Ų2756.2 Ų56.218%0.18231%0.31CS..G310 helixtrans-959.2176.9-57.50000113.6C668 S670 E671 S675 N676C668-C673 HydrophobicContact CB-CB 4.26Å; C668-C673 PolarHBondContact SG-O 3.49Å; C668-C673 VanDerWaalsContact SG-O 3.39Å; S670-C673 WeakPolarHBondContact O-CB 3.48Å; S670-C673 PolarHBondContact O-N 3.28Å; E671-C673 PolarHBondContact O-N 3.29Å; E671-C673 VanDerWaalsContact O-N 3.17Å; C673-S675 PolarHBondContact O-N 2.91Å; C673-N676 VanDerWaalsContact O-CB 3.27Å; C673-N676 WeakPolarHBondContact O-CB 3.45Å; C673-N676 PolarHBondContact O-N 3.3Å; C673-N676 VanDerWaalsContact O-N 3.08Å
674Y86.3Confident83.9Confident64 Ų6457 Ų5725%0.25132%0.316SS..Hα-helixtrans-64.6-25179.1-71.8-36.5000113.6E671 N676 V677 V695 R698 L699E671-Y674 HydrophobicContact CB-CD2 3.94Å; E671-Y674 HydrophobicContact CB-CE2 3.48Å; E671-Y674 VanDerWaalsContact CB-CE2 3.48Å; E671-Y674 HydrophobicContact CG-CE2 3.67Å; E671-Y674 WeakPolarHBondContact O-CB 3.22Å; E671-Y674 WeakPolarHBondContact O-CD2 3.46Å; E671-Y674 PolarHBondContact O-N 2.97Å; E671-Y674 VanDerWaalsContact O-N 3.13Å; E671-Y674 WeakPolarHBondContact OE1-CE2 3.43Å; E671-Y674 PolarHBondContact OE1-OH 3.49Å; Y674-N676 VanDerWaalsContact C-N 3.26Å; Y674-N676 PolarHBondContact O-N 3.46Å; Y674-V677 WeakPolarHBondContact O-CB 3.28Å; Y674-V677 PolarHBondContact O-N 3.29Å; Y674-V677 VanDerWaalsContact O-N 3.13Å; Y674-V695 HydrophobicContact CE1-CB 4.09Å; Y674-V695 HydrophobicContact CE1-CG1 4.29Å; Y674-R698 WeakPolarHBondContact OH-CB 3.41Å; Y674-L699 HydrophobicContact CD1-CD1 4Å; Y674-L699 HydrophobicContact CE1-CD1 3.87Å
675S83.6Confident82.7Confident77 Ų7754.8 Ų54.854%0.53831%0.308SS..Hα-helixtrans-54.7-40.7168.644.80000112.5C673 V677 A678 E679C673-S675 PolarHBondContact O-N 2.91Å; S675-V677 PolarHBondContact O-N 2.66Å; S675-A678 PolarHBondContact O-N 3.01Å; S675-A678 VanDerWaalsContact O-N 3.14Å; S675-E679 PolarHBondContact O-N 2.98Å
676N84Confident81.7Confident51 Ų5157.4 Ų57.427%0.27333%0.326SS..Hα-helixtrans-62.9-23.6-180-53.5-0.5000112.2I667 C673 Y674 W680I667-N676 WeakPolarHBondContact O-CB 3.26Å; I667-N676 PolarHBondContact O-ND2 2.95Å; C673-N676 VanDerWaalsContact O-CB 3.27Å; C673-N676 WeakPolarHBondContact O-CB 3.45Å; C673-N676 PolarHBondContact O-N 3.3Å; C673-N676 VanDerWaalsContact O-N 3.08Å; Y674-N676 VanDerWaalsContact C-N 3.26Å; Y674-N676 PolarHBondContact O-N 3.46Å; N676-W680 VanDerWaalsContact O-CB 3.23Å; N676-W680 WeakPolarHBondContact O-CB 3.3Å; N676-W680 PolarHBondContact O-N 3.1Å
677V86.2Confident81.1Confident8 Ų856.4 Ų56.45%0.04833%0.325CS..Hα-helixtrans-75.1-42.5177.1-171.40000110.5C668 Y674 S675 E679 W680 L681 L689 L699C668-V677 HydrophobicContact CB-CG2 3.99Å; Y674-V677 WeakPolarHBondContact O-CB 3.28Å; Y674-V677 PolarHBondContact O-N 3.29Å; Y674-V677 VanDerWaalsContact O-N 3.13Å; S675-V677 PolarHBondContact O-N 2.66Å; V677-E679 VanDerWaalsContact C-N 3.29Å; V677-W680 HydrophobicContact CG1-CE3 4.01Å; V677-W680 HydrophobicContact CG1-CZ3 4.29Å; V677-W680 PolarHBondContact O-N 3.06Å; V677-L681 HydrophobicContact CG1-CD1 4.49Å; V677-L681 VanDerWaalsContact O-CG 3.31Å; V677-L681 WeakPolarHBondContact O-CG 3.39Å; V677-L681 PolarHBondContact O-N 3.39Å; V677-L689 HydrophobicContact CG1-CD2 4.29Å; V677-L689 HydrophobicContact CG2-CD2 4.33Å; V677-L699 HydrophobicContact CG2-CD1 3.73Å
678A81.8Confident80.9Confident65 Ų6556 Ų5654%0.53732%0.323SS..Hα-helixtrans-67.7-32.2173.200000111.8S675 R682S675-A678 PolarHBondContact O-N 3.01Å; S675-A678 VanDerWaalsContact O-N 3.14Å; A678-R682 VanDerWaalsContact O-CB 3.31Å; A678-R682 WeakPolarHBondContact O-CB 3.41Å; A678-R682 PolarHBondContact O-N 3.22Å
679E82Confident80.9Confident71 Ų7156 Ų5633%0.33232%0.323SS..Hα-helixtrans-68.7-48.2172.3-178.8157.9-117.400112.7H666 S675 V677 L681 R682 Q683H666-E679 VanDerWaalsContact CE1-CG 3.47Å; H666-E679 WeakPolarHBondContact CE1-CG 3.28Å; S675-E679 PolarHBondContact O-N 2.98Å; V677-E679 VanDerWaalsContact C-N 3.29Å; E679-L681 PolarHBondContact O-N 2.9Å; E679-R682 PolarHBondContact O-N 2.89Å; E679-R682 IonicContact OE1-NH2 3.4Å; E679-R682 PolarHBondContact OE1-NH2 3.41Å; E679-Q683 HydrophobicContact CG-CG 3.97Å; E679-Q683 WeakPolarHBondContact O-CB 3.37Å; E679-Q683 PolarHBondContact O-N 2.83Å; E679-Q683 PolarHBondContact OE1-NE2 3.28Å
680W86.6Confident81.1Confident0 Ų054 Ų540%031%0.31CS..Hα-helixtrans-52.4-51.6173.9165.361.8000111.9P640 V642 H666 N676 V677 R682 S684 G687 L689 C701 I704P640-W680 HydrophobicContact CB-CH2 4.07Å; P640-W680 HydrophobicContact CB-CZ2 3.59Å; V642-W680 HydrophobicContact CG2-CH2 3.64Å; V642-W680 HydrophobicContact CG2-CZ2 4.18Å; V642-W680 HydrophobicContact CG2-CZ3 4.45Å; H666-W680 HydrophobicContact CB-CB 3.96Å; H666-W680 HydrophobicContact CB-CG 4.28Å; H666-W680 AromaticContact CD2-CD1 3.68Å; N676-W680 VanDerWaalsContact O-CB 3.23Å; N676-W680 WeakPolarHBondContact O-CB 3.3Å; N676-W680 PolarHBondContact O-N 3.1Å; V677-W680 HydrophobicContact CG1-CE3 4.01Å; V677-W680 HydrophobicContact CG1-CZ3 4.29Å; V677-W680 PolarHBondContact O-N 3.06Å; W680-R682 PolarHBondContact O-N 3.34Å; W680-S684 CarbonylContact O-C 3.6Å; W680-S684 VanDerWaalsContact O-C 3.23Å; W680-S684 WeakPolarHBondContact O-CA 3.03Å; W680-S684 PolarHBondContact O-N 3.37Å; W680-G687 PolarHBondContact NE1-O 3.04Å; W680-L689 HydrophobicContact CD2-CB 3.83Å; 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 4.2Å; W680-L689 HydrophobicContact CE3-CD2 3.79Å; W680-L689 HydrophobicContact CE3-CG 4.41Å; W680-L689 HydrophobicContact CG-CB 4.31Å; W680-L689 HydrophobicContact CG-CD1 4.44Å; W680-L689 HydrophobicContact CH2-CB 4.21Å; W680-L689 HydrophobicContact CH2-CD2 4.28Å; W680-L689 HydrophobicContact CZ2-CB 3.82Å; W680-L689 HydrophobicContact CZ3-CB 4.4Å; W680-L689 HydrophobicContact CZ3-CD2 3.82Å; W680-C701 HydrophobicContact CH2-CB 4.19Å; W680-C701 HydrophobicContact CZ3-CB 3.88Å; W680-I704 HydrophobicContact CH2-CG2 4.29Å
681L80.4Confident81.4Confident77 Ų7751.4 Ų51.440%0.40329%0.293SS..Hα-helixtrans-61.3-24.8177.9-70.9171.6000113.9V677 E679V677-L681 HydrophobicContact CG1-CD1 4.49Å; V677-L681 VanDerWaalsContact O-CG 3.31Å; V677-L681 WeakPolarHBondContact O-CG 3.39Å; V677-L681 PolarHBondContact O-N 3.39Å; E679-L681 PolarHBondContact O-N 2.9Å
682R77.8Confident81.9Confident172 Ų17247.1 Ų47.165%0.64927%0.273SS*.Hα-helixtrans-93.4-39.4-178-179.7-179.662.585.54.9113.3A678 E679 W680A678-R682 VanDerWaalsContact O-CB 3.31Å; A678-R682 WeakPolarHBondContact O-CB 3.41Å; A678-R682 PolarHBondContact O-N 3.22Å; E679-R682 PolarHBondContact O-N 2.89Å; E679-R682 IonicContact OE1-NH2 3.4Å; E679-R682 PolarHBondContact OE1-NH2 3.41Å; W680-R682 PolarHBondContact O-N 3.34Å
683Q70Confident82.3Confident96 Ų9643 Ų4345%0.44924%0.239SC..Hα-helixtrans-99-27.1-173-65.4-177.1-8.800113.3H666 E679H666-Q683 PolarHBondContact CE1-OE1 2.87Å; E679-Q683 HydrophobicContact CG-CG 3.97Å; E679-Q683 WeakPolarHBondContact O-CB 3.37Å; E679-Q683 PolarHBondContact O-N 2.83Å; E679-Q683 PolarHBondContact OE1-NE2 3.28Å
684S65Low82.6Confident30 Ų3046.5 Ų46.521%0.2126%0.255CS..  trans-141.767.7-169.9-54.90000110.8H666 W680 S686 G687H666-S684 WeakPolarHBondContact NE2-CB 3.44Å; H666-S684 PolarHBondContact NE2-OG 3.41Å; W680-S684 CarbonylContact O-C 3.6Å; W680-S684 VanDerWaalsContact O-C 3.23Å; W680-S684 WeakPolarHBondContact O-CA 3.03Å; W680-S684 PolarHBondContact O-N 3.37Å; S684-S686 PolarHBondContact O-N 3.48Å; S684-S686 VanDerWaalsContact O-N 3.13Å; S684-G687 WeakPolarHBondContact O-CA 3.18Å; S684-G687 PolarHBondContact O-N 3.14Å
685P58.7Low82.9Confident77 Ų7743.5 Ų43.550%0.524%0.244SC..THydrogen-bonded Turntrans-61.7-19.8179.525.3-34.7000113.8E639 P640E639-P685 CarbonylContact C-O 3.49Å; P640-P685 WeakPolarHBondContact CA-O 3.29Å; P640-P685 VanDerWaalsContact CB-O 3.32Å; P640-P685 WeakPolarHBondContact CB-O 3.32Å; P640-P685 WeakPolarHBondContact CD-O 3.44Å; P640-P685 VanDerWaalsContact N-O 3.09Å
686S64.9Low83.3Confident60 Ų6040 Ų4042%0.4222%0.219SC..THydrogen-bonded Turntrans-105.816.5169.154.90000114.2N638 S684N638-S686 VanDerWaalsContact C-CB 3.48Å; N638-S686 WeakPolarHBondContact OD1-CB 3.44Å; N638-S686 PolarHBondContact OD1-OG 2.92Å; S684-S686 PolarHBondContact O-N 3.48Å; S684-S686 VanDerWaalsContact O-N 3.13Å
687G77.6Confident83.4Confident12 Ų1241.5 Ų41.512%0.12423%0.231CC..  trans-82.9159.1-178.700000113.1A641 W680 S684A641-G687 PolarHBondContact N-O 2.94Å; W680-G687 PolarHBondContact NE1-O 3.04Å; S684-G687 WeakPolarHBondContact O-CA 3.18Å; S684-G687 PolarHBondContact O-N 3.14Å
688L87.9Confident83.3Confident9 Ų949 Ų495%0.04726%0.259CS..EExtended strand (participates in β ladder)trans-89.9134172-173.465.6000110.6A641 M643 L658 A665 H666 L690A641-L688 HydrophobicContact CB-CD1 3.74Å; M643-L688 HydrophobicContact CB-CD1 4.06Å; M643-L688 HydrophobicContact CE-CD1 4.4Å; M643-L688 HydrophobicContact CE-CD2 4.13Å; L658-L688 HydrophobicContact CD1-CD2 3.71Å; A665-L688 CarbonylContact C-O 3.23Å; A665-L688 VanDerWaalsContact CA-O 3.28Å; A665-L688 WeakPolarHBondContact CA-O 3.38Å; A665-L688 HydrophobicContact CB-CB 4.08Å; A665-L688 HydrophobicContact CB-CD2 4.27Å; A665-L688 HydrophobicContact CB-CG 4.36Å; H666-L688 PolarHBondContact N-O 3.3Å; L688-L690 HydrophobicContact CD2-CD2 3.77Å; L688-L690 HydrophobicContact CG-CD2 4Å
689L92.3Very high83.6Confident0 Ų046.7 Ų46.70%024%0.237CC..EExtended strand (participates in β ladder)trans-109117.7169.8-178.871.5000110.1A641 V642 M643 H666 C668 V677 W680 V691 L699A641-L689 PolarHBondContact O-N 3.11Å; V642-L689 HydrophobicContact CG2-CD2 4.47Å; M643-L689 PolarHBondContact N-O 2.74Å; H666-L689 HydrophobicContact CB-CD1 3.83Å; C668-L689 HydrophobicContact CB-CD1 4.35Å; V677-L689 HydrophobicContact CG1-CD2 4.29Å; V677-L689 HydrophobicContact CG2-CD2 4.33Å; W680-L689 HydrophobicContact CD2-CB 3.83Å; 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 4.2Å; W680-L689 HydrophobicContact CE3-CD2 3.79Å; W680-L689 HydrophobicContact CE3-CG 4.41Å; W680-L689 HydrophobicContact CG-CB 4.31Å; W680-L689 HydrophobicContact CG-CD1 4.44Å; W680-L689 HydrophobicContact CH2-CB 4.21Å; W680-L689 HydrophobicContact CH2-CD2 4.28Å; W680-L689 HydrophobicContact CZ2-CB 3.82Å; W680-L689 HydrophobicContact CZ3-CB 4.4Å; W680-L689 HydrophobicContact CZ3-CD2 3.82Å; L689-V691 HydrophobicContact CD2-CG1 3.81Å; L689-V691 HydrophobicContact CG-CG1 3.75Å; L689-L699 HydrophobicContact CD2-CD2 4.47Å
690L94.3Very high83.8Confident0 Ų051.8 Ų51.80%026%0.258CS..EExtended strand (participates in β ladder)trans-89.8128.6173.5-50.2-179.3000110.3M643 V651 R655 L658 A665 H666 I667 C668 L688M643-L690 HydrophobicContact CB-CD2 3.94Å; M643-L690 HydrophobicContact CG-CD2 4.21Å; M643-L690 HydrophobicContact SD-CD2 3.65Å; V651-L690 HydrophobicContact CG1-CB 3.71Å; V651-L690 HydrophobicContact CG1-CD1 4.12Å; V651-L690 HydrophobicContact CG2-CB 4.5Å; R655-L690 HydrophobicContact CB-CD1 4.03Å; L658-L690 HydrophobicContact CD1-CD1 4.18Å; L658-L690 HydrophobicContact CD1-CD2 4.03Å; A665-L690 HydrophobicContact CB-CD1 4.14Å; A665-L690 HydrophobicContact CB-CD2 4.4Å; A665-L690 HydrophobicContact CB-CG 3.96Å; H666-L690 PolarHBondContact O-N 3.02Å; I667-L690 WeakPolarHBondContact CA-O 3.49Å; I667-L690 HydrophobicContact CG1-CB 4.36Å; I667-L690 HydrophobicContact CG1-CD1 4.4Å; C668-L690 PolarHBondContact N-O 3.31Å; L688-L690 HydrophobicContact CD2-CD2 3.77Å; L688-L690 HydrophobicContact CG-CD2 4Å
691V95.7Very high83.5Confident0 Ų052 Ų520%026%0.26CS..EExtended strand (participates in β ladder)trans-137.5163.7-179.2-52.50000113.1V642 M643 V644 C645 C668 L689 V695 V696 L699V642-V691 HydrophobicContact CG1-CG1 4.38Å; V642-V691 HydrophobicContact CG1-CG2 3.94Å; M643-V691 PolarHBondContact O-N 3Å; V644-V691 WeakPolarHBondContact CA-O 3.4Å; V644-V691 HydrophobicContact CB-CG2 4.27Å; V644-V691 HydrophobicContact CG1-CG2 4.24Å; V644-V691 HydrophobicContact CG2-CG2 3.83Å; C645-V691 PolarHBondContact N-O 3.35Å; C668-V691 HydrophobicContact CB-CG1 4.09Å; C668-V691 VanDerWaalsContact O-CA 3.32Å; C668-V691 WeakPolarHBondContact O-CA 3.24Å; L689-V691 HydrophobicContact CD2-CG1 3.81Å; L689-V691 HydrophobicContact CG-CG1 3.75Å; V691-V695 HydrophobicContact CB-CG2 3.79Å; V691-V695 HydrophobicContact CG1-CG2 4.33Å; V691-V696 HydrophobicContact CG2-CG2 4.3Å; V691-L699 HydrophobicContact CB-CD2 4.47Å; V691-L699 HydrophobicContact CG1-CD2 3.87Å; V691-L699 HydrophobicContact CG2-CD2 4.39Å
692T94.9Very high83.7Confident4 Ų450.2 Ų50.23%0.02526%0.26CS..EExtended strand (participates in β ladder)trans-104159.216951.10000111.4N647 V651 V669 D694 V695N647-T692 VanDerWaalsContact C-CG2 3.43Å; V651-T692 HydrophobicContact CG2-CG2 4.09Å; V669-T692 HydrophobicContact CB-CG2 4.39Å; V669-T692 HydrophobicContact CG1-CG2 4.1Å; V669-T692 PolarHBondContact O-OG1 3.37Å; T692-D694 PolarHBondContact O-N 3.42Å; T692-V695 VanDerWaalsContact O-CG2 3.28Å; T692-V695 WeakPolarHBondContact O-CG2 3.37Å; T692-V695 PolarHBondContact O-N 2.87Å
693D93.2Very high84Confident4 Ų446.9 Ų46.92%0.02125%0.25CS..THydrogen-bonded Turntrans-55.2-20.9174.7-80.7-60.9000114.5A713 R722D693-A713 WeakPolarHBondContact OD2-CB 3.24Å; D693-R722 VanDerWaalsContact OD1-CG 3.32Å; D693-R722 WeakPolarHBondContact OD1-CG 3.33Å; D693-R722 IonicContact OD1-CZ 3.25Å; D693-R722 IonicContact OD1-NE 2.75Å; D693-R722 PolarHBondContact OD1-NE 3.18Å; D693-R722 IonicContact OD1-NH2 2.67Å; D693-R722 IonicContact OD2-CZ 3.89Å; D693-R722 IonicContact OD2-NE 3.47Å; D693-R722 PolarHBondContact OD2-NE 3.33Å; D693-R722 IonicContact OD2-NH2 2.86Å; D693-R722 PolarHBondContact OD2-NH2 3.13Å
694D91.4Very high84.8Confident99 Ų9942.3 Ų42.353%0.52923%0.229SC..THydrogen-bonded Turntrans-76.5-30.5-177.1-61.9-67.7000114.1T692 P697 R718T692-D694 PolarHBondContact O-N 3.42Å; D694-P697 WeakPolarHBondContact O-CD 3.44Å; D694-R718 IonicContact OD1-CZ 3.52Å; D694-R718 VanDerWaalsContact OD1-CZ 3.25Å; D694-R718 IonicContact OD1-NH1 3.58Å; D694-R718 PolarHBondContact OD1-NH1 3.46Å; D694-R718 IonicContact OD1-NH2 2.75Å; D694-R718 PolarHBondContact OD1-NH2 2.85Å; D694-R718 IonicContact OD2-NH2 3.04Å; D694-R718 PolarHBondContact OD2-NH2 2.91Å
695V92.1Very high85.8Confident2 Ų242 Ų421%0.01223%0.226CC..THydrogen-bonded Turntrans-84.6-27177.1-67.50000112.9C668 Y674 V691 T692 R698 L699C668-V695 WeakPolarHBondContact O-CG2 3.44Å; Y674-V695 HydrophobicContact CE1-CB 4.09Å; Y674-V695 HydrophobicContact CE1-CG1 4.29Å; V691-V695 HydrophobicContact CB-CG2 3.79Å; V691-V695 HydrophobicContact CG1-CG2 4.33Å; T692-V695 VanDerWaalsContact O-CG2 3.28Å; T692-V695 WeakPolarHBondContact O-CG2 3.37Å; T692-V695 PolarHBondContact O-N 2.87Å; V695-R698 PolarHBondContact O-N 3.07Å; V695-L699 HydrophobicContact CG2-CD1 4.43Å; V695-L699 WeakPolarHBondContact O-CB 3.3Å; V695-L699 PolarHBondContact O-N 3.22Å; V695-L699 VanDerWaalsContact O-N 3.1Å
696V91.8Very high87.3Confident2 Ų238.7 Ų38.71%0.01220%0.204CC..G310 helixtrans-45.4-47.4-176.9169.10000114.1V644 V691 R698 L699 N721 L725V644-V696 HydrophobicContact CG1-CG2 4.28Å; V644-V696 HydrophobicContact CG2-CG2 4.42Å; V691-V696 HydrophobicContact CG2-CG2 4.3Å; V696-R698 PolarHBondContact O-N 3.04Å; V696-L699 PolarHBondContact O-N 3.4Å; V696-N721 WeakPolarHBondContact CG1-O 3.49Å; V696-L725 HydrophobicContact CG1-CG 4.48Å
697P86.4Confident88.7Confident83 Ų8335.9 Ų35.954%0.53918%0.184SC..G310 helixtrans-62.2-13.4-174-20.531.4000115.7D694D694-P697 WeakPolarHBondContact O-CD 3.44Å
698R85.3Confident89.6Confident166 Ų16635.3 Ų35.363%0.62618%0.179SC*.G310 helixtrans-127.8-4.8-178.9-71.8173.4175-1711.8113.1E671 Y674 V695 V696E671-R698 WeakPolarHBondContact OE1-CD 3.47Å; E671-R698 IonicContact OE1-CZ 3.79Å; E671-R698 IonicContact OE1-NE 3.57Å; E671-R698 IonicContact OE1-NH1 2.69Å; E671-R698 PolarHBondContact OE1-NH1 3.47Å; E671-R698 IonicContact OE2-NH1 2.74Å; E671-R698 PolarHBondContact OE2-NH1 3.14Å; Y674-R698 WeakPolarHBondContact OH-CB 3.41Å; V695-R698 PolarHBondContact O-N 3.07Å; V696-R698 PolarHBondContact O-N 3.04Å
699L88.1Confident89.9Confident16 Ų1634.9 Ų34.98%0.08418%0.176CC..  trans-67.7134.2-176-16370.7000110.9Y674 V677 L689 V691 V695 V696 C701 L725Y674-L699 HydrophobicContact CD1-CD1 4Å; Y674-L699 HydrophobicContact CE1-CD1 3.87Å; V677-L699 HydrophobicContact CG2-CD1 3.73Å; L689-L699 HydrophobicContact CD2-CD2 4.47Å; V691-L699 HydrophobicContact CB-CD2 4.47Å; V691-L699 HydrophobicContact CG1-CD2 3.87Å; V691-L699 HydrophobicContact CG2-CD2 4.39Å; V695-L699 HydrophobicContact CG2-CD1 4.43Å; V695-L699 WeakPolarHBondContact O-CB 3.3Å; V695-L699 PolarHBondContact O-N 3.22Å; V695-L699 VanDerWaalsContact O-N 3.1Å; V696-L699 PolarHBondContact O-N 3.4Å; L699-C701 WeakPolarHBondContact CD2-SG 3.28Å; L699-L725 HydrophobicContact CB-CD2 4.04Å; L699-L725 HydrophobicContact CD2-CD2 3.89Å; L699-L725 HydrophobicContact CG-CD2 4.35Å
700K85.1Confident90.1Very high178 Ų17835.3 Ų35.377%0.77418%0.178SC*.  trans-120.976.4-177.7-68.5179.3-179.4175.40111.1G702K700-G702 VanDerWaalsContact C-N 3.28Å; K700-G702 PolarHBondContact O-N 3.04Å
701C81.7Confident90Very high4 Ų436.3 Ų36.33%0.02719%0.185CC..  trans-77-1.7-178-65.50000115.4V642 W680 L699 I704V642-C701 HydrophobicContact CG2-CB 4.28Å; W680-C701 HydrophobicContact CH2-CB 4.19Å; W680-C701 HydrophobicContact CZ3-CB 3.88Å; L699-C701 WeakPolarHBondContact CD2-SG 3.28Å; C701-I704 HydrophobicContact CB-CG2 3.59Å
702G83.4Confident89.8Confident40 Ų4037.1 Ų37.141%0.41219%0.189SC..  trans66.9-151.9-165.500000110.9K700 A728K700-G702 VanDerWaalsContact C-N 3.28Å; K700-G702 PolarHBondContact O-N 3.04Å; G702-A728 WeakPolarHBondContact O-CB 3.42Å
703K85.3Confident89.6Confident103 Ų10337.2 Ų37.245%0.44819%0.19SC..SBendtrans-79.1128.4177.2-64.9-168.1177.1-173.10110.5A728 N729 S732K703-A728 WeakPolarHBondContact CE-O 3.47Å; K703-A728 HydrophobicContact CG-CB 4.28Å; K703-N729 VanDerWaalsContact CA-OD1 3.25Å; K703-N729 WeakPolarHBondContact CA-OD1 3.02Å; K703-S732 VanDerWaalsContact NZ-CB 3.29Å; K703-S732 PolarHBondContact NZ-OG 2.94Å
704I86.6Confident89.3Confident0 Ų042 Ų420%022%0.223CC..  trans-121.3111-178.955136.4000112V642 W680 C701 L706 L707 L725 F726 N729V642-I704 HydrophobicContact CG2-CB 4.46Å; V642-I704 HydrophobicContact CG2-CD1 4.47Å; V642-I704 HydrophobicContact CG2-CG2 3.75Å; W680-I704 HydrophobicContact CH2-CG2 4.29Å; C701-I704 HydrophobicContact CB-CG2 3.59Å; I704-L706 VanDerWaalsContact C-N 3.35Å; I704-L707 HydrophobicContact CD1-CB 4.18Å; I704-L707 HydrophobicContact CD1-CD1 4.33Å; I704-L725 HydrophobicContact CD1-CB 3.6Å; I704-L725 HydrophobicContact CG1-CB 4.2Å; I704-F726 HydrophobicContact CD1-CD1 4.08Å; I704-F726 HydrophobicContact CD1-CE1 3.98Å; I704-F726 HydrophobicContact CD1-CZ 4.5Å; I704-F726 HydrophobicContact CG1-CD1 4.16Å; I704-F726 HydrophobicContact CG1-CE1 4.37Å; I704-F726 WeakPolarHBondContact O-CE1 3.22Å; I704-N729 PolarHBondContact N-OD1 2.69Å; I704-N729 PolarHBondContact O-ND2 3.1Å
705P86.3Confident89.3Confident23 Ų2341.4 Ų41.415%0.14922%0.219CC..SBendtrans-73.7-22-179.427.7-34.9000113.9E639 P640 G739 Q740E639-P705 HydrophobicContact CB-CG 3.59Å; E639-P705 HydrophobicContact CG-CB 4.33Å; E639-P705 HydrophobicContact CG-CG 3.65Å; P640-P705 VanDerWaalsContact O-CD 3.3Å; P640-P705 WeakPolarHBondContact O-CD 3.4Å; P705-G739 CarbonylContact O-C 3.59Å; P705-G739 WeakPolarHBondContact O-CA 3.49Å; P705-Q740 PolarHBondContact O-N 3.21Å
706L89.5Confident89.3Confident8 Ų843.9 Ų43.94%0.04223%0.228CC..EExtended strand (participates in β ladder)trans-133.9126.7-179.7-178.759.1000112.4R633 A641 V642 I704 I708 Q740 V742R633-L706 HydrophobicContact CG-CD2 4.2Å; A641-L706 HydrophobicContact CB-CB 4.23Å; A641-L706 HydrophobicContact CB-CD2 4.21Å; A641-L706 HydrophobicContact CB-CG 4.36Å; V642-L706 PolarHBondContact N-O 3.23Å; V642-L706 VanDerWaalsContact N-O 3.08Å; I704-L706 VanDerWaalsContact C-N 3.35Å; L706-I708 HydrophobicContact CD1-CG1 4.22Å; L706-I708 HydrophobicContact CD2-CD1 4.06Å; L706-I708 HydrophobicContact CD2-CG1 4.25Å; L706-I708 HydrophobicContact CG-CD1 4.33Å; L706-I708 HydrophobicContact CG-CG1 3.98Å; L706-Q740 WeakPolarHBondContact CA-O 3.25Å; L706-Q740 HydrophobicContact CD1-CB 4.19Å; L706-Q740 HydrophobicContact CD1-CG 4.36Å; L706-V742 HydrophobicContact CD1-CG2 3.89Å
707L94.4Very high89.2Confident0 Ų047.1 Ų47.10%026%0.255CS..EExtended strand (participates in β ladder)trans-116.1125.8170.5-176.461.4000109.5V642 V644 I704 H709 R722 L725 F726 Q740 S741 V742V642-L707 HydrophobicContact CB-CD1 4.2Å; V642-L707 HydrophobicContact CG1-CD1 4.31Å; V642-L707 CarbonylContact O-C 3.53Å; V642-L707 WeakPolarHBondContact O-CA 3.39Å; V644-L707 HydrophobicContact CG2-CD1 3.89Å; I704-L707 HydrophobicContact CD1-CB 4.18Å; I704-L707 HydrophobicContact CD1-CD1 4.33Å; L707-H709 VanDerWaalsContact CD2-NE2 3.32Å; L707-H709 WeakPolarHBondContact CD2-NE2 3.45Å; L707-R722 HydrophobicContact CD2-CB 4.4Å; L707-L725 HydrophobicContact CD1-CD1 3.7Å; L707-F726 HydrophobicContact CB-CE1 4.24Å; L707-F726 HydrophobicContact CB-CE2 3.88Å; L707-F726 HydrophobicContact CB-CZ 3.44Å; L707-F726 VanDerWaalsContact CB-CZ 3.44Å; L707-F726 HydrophobicContact CD2-CD2 4.32Å; L707-F726 HydrophobicContact CD2-CE2 3.63Å; L707-F726 HydrophobicContact CD2-CZ 4.11Å; L707-F726 HydrophobicContact CG-CE2 4.42Å; L707-F726 HydrophobicContact CG-CZ 4.43Å; L707-Q740 PolarHBondContact N-O 3.06Å; L707-S741 CarbonylContact O-C 3.59Å; L707-S741 WeakPolarHBondContact O-CA 3.5Å; L707-V742 PolarHBondContact O-N 3.44Å
708I95.2Very high89.5Confident1 Ų146.4 Ų46.41%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-114.2123.9179.1-55175.3000109.4L626 V642 M643 V644 L706 V742 F744L626-I708 HydrophobicContact CD1-CD1 3.8Å; V642-I708 PolarHBondContact O-N 2.66Å; M643-I708 CarbonylContact C-O 3.55Å; M643-I708 VanDerWaalsContact CA-O 3.28Å; M643-I708 WeakPolarHBondContact CA-O 3.27Å; M643-I708 HydrophobicContact CB-CB 4.26Å; M643-I708 HydrophobicContact CE-CB 3.99Å; M643-I708 HydrophobicContact CE-CD1 3.82Å; M643-I708 HydrophobicContact CE-CG1 4.5Å; M643-I708 HydrophobicContact CE-CG2 3.71Å; M643-I708 HydrophobicContact CG-CB 4.15Å; M643-I708 HydrophobicContact CG-CG2 4.27Å; V644-I708 PolarHBondContact N-O 2.64Å; L706-I708 HydrophobicContact CD1-CG1 4.22Å; L706-I708 HydrophobicContact CD2-CD1 4.06Å; L706-I708 HydrophobicContact CD2-CG1 4.25Å; L706-I708 HydrophobicContact CG-CD1 4.33Å; L706-I708 HydrophobicContact CG-CG1 3.98Å; I708-V742 CarbonylContact C-O 3.57Å; I708-V742 WeakPolarHBondContact CA-O 3.43Å; I708-F744 HydrophobicContact CG2-CE2 4.49Å; I708-F744 HydrophobicContact CG2-CZ 4.45Å
709H96.2Very high90Very high0 Ų038.5 Ų38.50%021%0.212CC..EExtended strand (participates in β ladder)trans-99.590.4175.5-58-130.9000107.2L707 S711 F719 R722 F723 S741 V742 V743 F744L707-H709 VanDerWaalsContact CD2-NE2 3.32Å; L707-H709 WeakPolarHBondContact CD2-NE2 3.45Å; H709-S711 VanDerWaalsContact C-N 3.3Å; H709-S711 PolarHBondContact O-N 2.81Å; H709-F719 HydrophobicContact CB-CE2 4.26Å; H709-F719 AromaticContact CE1-CE2 3.88Å; H709-F719 AromaticContact CG-CE2 3.97Å; H709-F719 AromaticContact ND1-CD2 3.63Å; H709-F719 AromaticContact ND1-CE2 3.14Å; H709-F719 WeakPolarHBondContact ND1-CE2 3.35Å; H709-F719 AromaticContact ND1-CZ 3.71Å; H709-R722 VanDerWaalsContact ND1-CD 3.31Å; 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 3.48Å; H709-F723 AromaticContact CE1-CZ 3.65Å; H709-F723 AromaticContact NE2-CE2 3.93Å; H709-F723 AromaticContact NE2-CZ 3.73Å; H709-S741 PolarHBondContact NE2-OG 3.21Å; H709-V742 PolarHBondContact N-O 3.39Å; H709-V743 HydrophobicContact CB-CB 4.4Å; H709-V743 HydrophobicContact CB-CG1 4.21Å; H709-V743 HydrophobicContact CB-CG2 4.26Å; H709-F744 PolarHBondContact O-N 2.91Å
710Y94.9Very high90.3Very high9 Ų938.7 Ų38.74%0.03521%0.212CC..SBendtrans-66.7-33.7-172.4-173.2-88.5000113E619 K622 I623 L626 M643 V644 E650 L654 F744E619-Y710 VanDerWaalsContact OE2-CE1 3.28Å; E619-Y710 WeakPolarHBondContact OE2-CE1 3.38Å; E619-Y710 VanDerWaalsContact OE2-CZ 3.31Å; E619-Y710 PolarHBondContact OE2-OH 3.13Å; K622-Y710 HydrophobicContact CB-CE2 4.2Å; K622-Y710 HydrophobicContact CD-CE1 3.96Å; K622-Y710 HydrophobicContact CD-CE2 4.15Å; K622-Y710 PolarHBondContact NZ-O 2.83Å; I623-Y710 HydrophobicContact CD1-CE2 4.48Å; L626-Y710 HydrophobicContact CD2-CE2 4.41Å; M643-Y710 HydrophobicContact CE-CD2 4.41Å; M643-Y710 HydrophobicContact SD-CD2 3.99Å; M643-Y710 HydrophobicContact SD-CG 4.35Å; V644-Y710 PolarHBondContact O-N 3.45Å; E650-Y710 HydrophobicContact CG-CD1 4.36Å; E650-Y710 WeakPolarHBondContact OE1-CD1 3.02Å; L654-Y710 HydrophobicContact CD1-CD2 4.35Å; L654-Y710 HydrophobicContact CD1-CE2 3.71Å; L654-Y710 HydrophobicContact CD2-CD1 4.04Å; L654-Y710 HydrophobicContact CD2-CD2 3.5Å; L654-Y710 VanDerWaalsContact CD2-CD2 3.5Å; L654-Y710 HydrophobicContact CD2-CE1 4.23Å; L654-Y710 HydrophobicContact CD2-CE2 3.69Å; L654-Y710 HydrophobicContact CD2-CG 3.69Å; L654-Y710 HydrophobicContact CG-CE2 4.38Å; Y710-F744 AromaticContact CD2-CD2 3.94Å; Y710-F744 HydrophobicContact CD2-CD2 3.94Å; Y710-F744 HydrophobicContact CD2-CE2 4.1Å; Y710-F744 HydrophobicContact CE2-CD2 4.29Å; Y710-F744 HydrophobicContact CE2-CE2 4.32Å
711S92.3Very high90.7Very high21 Ų2132.4 Ų32.415%0.14719%0.187CC..SBendtrans-145.1153.4170.5-69.80000108.7K622 E650 H709 R722K622-S711 PolarHBondContact NZ-OG 3.01Å; E650-S711 WeakPolarHBondContact OE1-CB 3.48Å; E650-S711 PolarHBondContact OE1-OG 3.22Å; H709-S711 VanDerWaalsContact C-N 3.3Å; H709-S711 PolarHBondContact O-N 2.81Å; S711-R722 PolarHBondContact O-NH1 3.08Å; S711-R722 PolarHBondContact O-NH2 3.04Å; S711-R722 VanDerWaalsContact O-NH2 3.12Å
712F92.1Very high91.4Very high17 Ų1732.2 Ų32.28%0.07519%0.185CC..  trans-59.9159.6176.9-76.6-74.7000112.9F719 V743 A745 D749 N752 L756F712-F719 AromaticContact CD1-CD2 3.72Å; F712-F719 HydrophobicContact CD1-CD2 3.72Å; F712-F719 AromaticContact CD1-CE2 3.67Å; F712-F719 HydrophobicContact CD1-CE2 3.67Å; F712-F719 HydrophobicContact CD1-CZ 4.46Å; F712-F719 HydrophobicContact CE1-CD2 4.25Å; F712-F719 AromaticContact CE1-CE2 3.78Å; F712-F719 HydrophobicContact CE1-CE2 3.78Å; F712-F719 HydrophobicContact CE1-CZ 4.17Å; F712-V743 HydrophobicContact CE1-CG1 3.85Å; F712-V743 HydrophobicContact CZ-CG1 3.84Å; F712-A745 HydrophobicContact CE2-CB 3.58Å; F712-A745 HydrophobicContact CZ-CB 3.87Å; F712-D749 HydrophobicContact CD2-CB 3.83Å; F712-D749 VanDerWaalsContact CD2-OD2 3.28Å; F712-D749 WeakPolarHBondContact CD2-OD2 3.07Å; F712-D749 HydrophobicContact CE2-CB 3.66Å; F712-D749 WeakPolarHBondContact CE2-OD2 3.33Å; F712-N752 HydrophobicContact CD1-CB 3.7Å; F712-N752 HydrophobicContact CD2-CB 3.99Å; F712-N752 HydrophobicContact CE1-CB 3.62Å; F712-N752 HydrophobicContact CE2-CB 3.89Å; F712-N752 HydrophobicContact CG-CB 3.9Å; F712-N752 HydrophobicContact CZ-CB 3.72Å; F712-L756 HydrophobicContact CE1-CD1 3.73Å; F712-L756 HydrophobicContact CZ-CD1 3.68Å
713A91Very high91.9Very high5 Ų530.5 Ų30.54%0.04117%0.166CC..  trans-80.7153.1168.600000109.9D693 M715 R718 F719D693-A713 WeakPolarHBondContact OD2-CB 3.24Å; A713-M715 PolarHBondContact O-N 3.32Å; A713-R718 HydrophobicContact CB-CB 3.83Å; A713-F719 HydrophobicContact CB-CB 3.89Å
714S86.9Confident92.3Very high104 Ų10426.4 Ų26.473%0.72715%0.151SC*.SBendtrans-59.9-17.3175.855.30000114.6
715M90.3Very high92.5Very high88 Ų8826.9 Ų26.943%0.43315%0.153SC..SBendtrans-141.4140.4177-67.3-174.6-75.600110.8A82 A713 A717 R718 F719A82-M715 HydrophobicContact CB-SD 3.79Å; A713-M715 PolarHBondContact O-N 3.32Å; M715-A717 PolarHBondContact O-N 3.1Å; M715-R718 HydrophobicContact CE-CG 4.32Å; M715-R718 PolarHBondContact O-N 3.32Å; M715-F719 PolarHBondContact O-N 3.2Å
716W92.3Very high92.8Very high53 Ų5325.8 Ų25.820%0.20115%0.146CC..Hα-helixtrans-55-36.6178-175.4-126000113L601 R718 F719 K720 K755 L756L601-W716 HydrophobicContact CD2-CH2 4.26Å; L601-W716 HydrophobicContact CD2-CZ2 4.12Å; W716-R718 PolarHBondContact O-N 3.49Å; W716-F719 HydrophobicContact CE3-CB 4.26Å; W716-F719 AromaticContact CE3-CD1 3.68Å; W716-F719 HydrophobicContact CE3-CD1 3.68Å; W716-F719 HydrophobicContact CE3-CE1 4.37Å; W716-F719 HydrophobicContact CE3-CG 4.19Å; W716-F719 AromaticContact CH2-CD1 3.91Å; W716-F719 HydrophobicContact CH2-CD1 3.91Å; W716-F719 AromaticContact CH2-CE1 3.89Å; W716-F719 HydrophobicContact CH2-CE1 3.89Å; W716-F719 AromaticContact CZ3-CD1 3.28Å; W716-F719 HydrophobicContact CZ3-CD1 3.28Å; W716-F719 AromaticContact CZ3-CE1 3.53Å; W716-F719 HydrophobicContact CZ3-CE1 3.53Å; W716-F719 HydrophobicContact CZ3-CG 4.1Å; W716-F719 HydrophobicContact CZ3-CZ 4.48Å; W716-F719 PolarHBondContact O-N 3.37Å; W716-K720 HydrophobicContact CD2-CG 4.25Å; W716-K720 HydrophobicContact CZ2-CD 4.11Å; W716-K720 HydrophobicContact CZ2-CG 4.17Å; W716-K720 WeakPolarHBondContact O-CG 3.44Å; W716-K720 PolarHBondContact O-N 3Å; W716-K755 HydrophobicContact CB-CD 4.14Å; W716-K755 HydrophobicContact CD2-CB 4.1Å; W716-K755 HydrophobicContact CD2-CD 3.95Å; W716-K755 HydrophobicContact CE3-CB 4.05Å; W716-K755 HydrophobicContact CE3-CD 4.16Å; W716-K755 HydrophobicContact CG-CD 3.94Å; W716-K755 HydrophobicContact CH2-CB 4.01Å; W716-K755 HydrophobicContact CZ2-CB 4.02Å; W716-K755 HydrophobicContact CZ3-CB 4.01Å; W716-L756 HydrophobicContact CH2-CD2 4.03Å; W716-L756 HydrophobicContact CH2-CG 4.25Å; W716-L756 HydrophobicContact CZ3-CD2 4.4Å; W716-L756 HydrophobicContact CZ3-CG 4.34Å
717A90.8Very high92.8Very high71 Ų7125.9 Ų25.959%0.58715%0.146SC*.Hα-helixtrans-63-38.5175.100000113.1M715 N721M715-A717 PolarHBondContact O-N 3.1Å; A717-N721 WeakPolarHBondContact O-CB 3.28Å; A717-N721 PolarHBondContact O-N 3.47Å
718R92.6Very high92.4Very high67 Ų6726.9 Ų26.925%0.25316%0.155SC..Hα-helixtrans-69.5-42.7174.6-75.2174.165.8117-15.1110.8D694 A713 M715 W716 K720 N721 R722D694-R718 IonicContact OD1-CZ 3.52Å; D694-R718 VanDerWaalsContact OD1-CZ 3.25Å; D694-R718 IonicContact OD1-NH1 3.58Å; D694-R718 PolarHBondContact OD1-NH1 3.46Å; D694-R718 IonicContact OD1-NH2 2.75Å; D694-R718 PolarHBondContact OD1-NH2 2.85Å; D694-R718 IonicContact OD2-NH2 3.04Å; D694-R718 PolarHBondContact OD2-NH2 2.91Å; A713-R718 HydrophobicContact CB-CB 3.83Å; M715-R718 HydrophobicContact CE-CG 4.32Å; M715-R718 PolarHBondContact O-N 3.32Å; W716-R718 PolarHBondContact O-N 3.49Å; R718-K720 PolarHBondContact O-N 2.91Å; R718-N721 WeakPolarHBondContact O-CB 3.5Å; R718-N721 PolarHBondContact O-N 3.24Å; R718-N721 VanDerWaalsContact O-N 3.1Å; R718-R722 PolarHBondContact O-N 2.97Å
719F95.3Very high91.9Very high1 Ų127.4 Ų27.40%0.00416%0.158CC..Hα-helixtrans-56.9-48.3174.3177.9-91.5000112.1H709 F712 A713 M715 W716 N721 R722 F723 V743 L756H709-F719 HydrophobicContact CB-CE2 4.26Å; H709-F719 AromaticContact CE1-CE2 3.88Å; H709-F719 AromaticContact CG-CE2 3.97Å; H709-F719 AromaticContact ND1-CD2 3.63Å; H709-F719 AromaticContact ND1-CE2 3.14Å; H709-F719 WeakPolarHBondContact ND1-CE2 3.35Å; H709-F719 AromaticContact ND1-CZ 3.71Å; F712-F719 AromaticContact CD1-CD2 3.72Å; F712-F719 HydrophobicContact CD1-CD2 3.72Å; F712-F719 AromaticContact CD1-CE2 3.67Å; F712-F719 HydrophobicContact CD1-CE2 3.67Å; F712-F719 HydrophobicContact CD1-CZ 4.46Å; F712-F719 HydrophobicContact CE1-CD2 4.25Å; F712-F719 AromaticContact CE1-CE2 3.78Å; F712-F719 HydrophobicContact CE1-CE2 3.78Å; F712-F719 HydrophobicContact CE1-CZ 4.17Å; A713-F719 HydrophobicContact CB-CB 3.89Å; M715-F719 PolarHBondContact O-N 3.2Å; W716-F719 HydrophobicContact CE3-CB 4.26Å; W716-F719 AromaticContact CE3-CD1 3.68Å; W716-F719 HydrophobicContact CE3-CD1 3.68Å; W716-F719 HydrophobicContact CE3-CE1 4.37Å; W716-F719 HydrophobicContact CE3-CG 4.19Å; W716-F719 AromaticContact CH2-CD1 3.91Å; W716-F719 HydrophobicContact CH2-CD1 3.91Å; W716-F719 AromaticContact CH2-CE1 3.89Å; W716-F719 HydrophobicContact CH2-CE1 3.89Å; W716-F719 AromaticContact CZ3-CD1 3.28Å; W716-F719 HydrophobicContact CZ3-CD1 3.28Å; W716-F719 AromaticContact CZ3-CE1 3.53Å; W716-F719 HydrophobicContact CZ3-CE1 3.53Å; W716-F719 HydrophobicContact CZ3-CG 4.1Å; W716-F719 HydrophobicContact CZ3-CZ 4.48Å; W716-F719 PolarHBondContact O-N 3.37Å; F719-N721 VanDerWaalsContact C-N 3.31Å; F719-N721 PolarHBondContact O-N 3.39Å; F719-R722 VanDerWaalsContact O-CB 3.29Å; F719-R722 WeakPolarHBondContact O-CB 3.45Å; F719-R722 WeakPolarHBondContact O-CG 3.17Å; F719-R722 PolarHBondContact O-N 3.46Å; F719-F723 HydrophobicContact CD1-CE2 4.32Å; F719-F723 AromaticContact CE1-CE2 3.81Å; F719-F723 HydrophobicContact CE1-CE2 3.81Å; F719-F723 HydrophobicContact CE1-CZ 4.44Å; F719-F723 HydrophobicContact CZ-CE2 4.18Å; F719-V743 HydrophobicContact CE2-CG1 4.18Å; F719-V743 HydrophobicContact CE2-CG2 4.33Å; F719-V743 HydrophobicContact CZ-CG1 4.35Å; F719-V743 HydrophobicContact CZ-CG2 3.93Å; F719-L756 HydrophobicContact CE1-CD2 4.12Å; F719-L756 HydrophobicContact CZ-CD2 4.2Å
720K94.8Very high91.1Very high19 Ų1928.4 Ų28.48%0.08316%0.163CC..Hα-helixtrans-62.7-36.5175.6-68.1-163.7-67.8174.10112.2N417 D599 L601 W716 R718 R722 F723N417-K720 PolarHBondContact OD1-NZ 3.02Å; D599-K720 WeakPolarHBondContact OD2-CE 3.48Å; D599-K720 IonicContact OD2-NZ 2.67Å; D599-K720 PolarHBondContact OD2-NZ 2.89Å; L601-K720 HydrophobicContact CB-CB 4.05Å; L601-K720 HydrophobicContact CB-CD 4.13Å; L601-K720 HydrophobicContact CB-CG 3.94Å; L601-K720 HydrophobicContact CD2-CD 3.93Å; L601-K720 HydrophobicContact CD2-CG 3.77Å; W716-K720 HydrophobicContact CD2-CG 4.25Å; W716-K720 HydrophobicContact CZ2-CD 4.11Å; W716-K720 HydrophobicContact CZ2-CG 4.17Å; W716-K720 WeakPolarHBondContact O-CG 3.44Å; W716-K720 PolarHBondContact O-N 3Å; R718-K720 PolarHBondContact O-N 2.91Å; K720-R722 PolarHBondContact O-N 3.25Å; K720-F723 WeakPolarHBondContact O-CB 3.47Å; K720-F723 WeakPolarHBondContact O-CD2 3.27Å; K720-F723 PolarHBondContact O-N 2.76Å
721N93.2Very high90.1Very high47 Ų4732.1 Ų32.125%0.25118%0.179SC..Hα-helixtrans-65-22.2176.8-171.368.7000113.9V696 A717 R718 F719 F723 S724V696-N721 WeakPolarHBondContact CG1-O 3.49Å; A717-N721 WeakPolarHBondContact O-CB 3.28Å; A717-N721 PolarHBondContact O-N 3.47Å; R718-N721 WeakPolarHBondContact O-CB 3.5Å; R718-N721 PolarHBondContact O-N 3.24Å; R718-N721 VanDerWaalsContact O-N 3.1Å; F719-N721 VanDerWaalsContact C-N 3.31Å; F719-N721 PolarHBondContact O-N 3.39Å; N721-F723 PolarHBondContact O-N 2.93Å; N721-S724 VanDerWaalsContact O-CB 3.27Å; N721-S724 WeakPolarHBondContact O-CB 3.34Å; N721-S724 PolarHBondContact O-N 3.49Å; N721-S724 PolarHBondContact O-OG 2.95Å
722R95.1Very high88.5Confident0 Ų033.3 Ų33.30%019%0.187CC..G310 helixtrans-55.6-32.7172.4-62.3178.3176.9-169.40.4112.9V644 D693 L707 H709 S711 R718 F719 K720 S724 L725V644-R722 HydrophobicContact CB-CG 4.34Å; V644-R722 HydrophobicContact CG1-CG 4.07Å; V644-R722 VanDerWaalsContact CG1-NE 3.34Å; V644-R722 HydrophobicContact CG2-CB 4.42Å; V644-R722 HydrophobicContact CG2-CG 4.19Å; V644-R722 PolarHBondContact O-NH1 2.96Å; D693-R722 VanDerWaalsContact OD1-CG 3.32Å; D693-R722 WeakPolarHBondContact OD1-CG 3.33Å; D693-R722 IonicContact OD1-CZ 3.25Å; D693-R722 IonicContact OD1-NE 2.75Å; D693-R722 PolarHBondContact OD1-NE 3.18Å; D693-R722 IonicContact OD1-NH2 2.67Å; D693-R722 IonicContact OD2-CZ 3.89Å; D693-R722 IonicContact OD2-NE 3.47Å; D693-R722 PolarHBondContact OD2-NE 3.33Å; D693-R722 IonicContact OD2-NH2 2.86Å; D693-R722 PolarHBondContact OD2-NH2 3.13Å; L707-R722 HydrophobicContact CD2-CB 4.4Å; H709-R722 VanDerWaalsContact ND1-CD 3.31Å; H709-R722 WeakPolarHBondContact ND1-CD 3.38Å; S711-R722 PolarHBondContact O-NH1 3.08Å; S711-R722 PolarHBondContact O-NH2 3.04Å; S711-R722 VanDerWaalsContact O-NH2 3.12Å; R718-R722 PolarHBondContact O-N 2.97Å; F719-R722 VanDerWaalsContact O-CB 3.29Å; F719-R722 WeakPolarHBondContact O-CB 3.45Å; F719-R722 WeakPolarHBondContact O-CG 3.17Å; F719-R722 PolarHBondContact O-N 3.46Å; K720-R722 PolarHBondContact O-N 3.25Å; R722-S724 PolarHBondContact O-N 3.39Å; R722-L725 WeakPolarHBondContact O-CG 3.22Å; R722-L725 PolarHBondContact O-N 2.65Å
723F94.6Very high86.7Confident3 Ų335.7 Ų35.71%0.01320%0.204CC..G310 helixtrans-69.2-12.6178.9-69.4-92000113.8A600 L601 S604 L611 H709 F719 K720 N721 L725 F726 S741A600-F723 HydrophobicContact CB-CB 3.99Å; A600-F723 WeakPolarHBondContact O-CB 3.43Å; L601-F723 HydrophobicContact CB-CD2 4.03Å; L601-F723 HydrophobicContact CB-CG 4.24Å; L601-F723 HydrophobicContact CD1-CD1 3.95Å; L601-F723 HydrophobicContact CD1-CD2 3.97Å; L601-F723 HydrophobicContact CD1-CE1 3.77Å; L601-F723 HydrophobicContact CD1-CE2 3.8Å; L601-F723 HydrophobicContact CD1-CG 4.06Å; L601-F723 HydrophobicContact CD1-CZ 3.71Å; L601-F723 HydrophobicContact CG-CD2 4.48Å; S604-F723 WeakPolarHBondContact OG-CB 3.49Å; L611-F723 HydrophobicContact CD2-CE1 3.61Å; L611-F723 HydrophobicContact CD2-CZ 4.15Å; H709-F723 AromaticContact CE1-CE2 3.41Å; H709-F723 VanDerWaalsContact CE1-CE2 3.41Å; H709-F723 WeakPolarHBondContact CE1-CE2 3.48Å; H709-F723 AromaticContact CE1-CZ 3.65Å; H709-F723 AromaticContact NE2-CE2 3.93Å; H709-F723 AromaticContact NE2-CZ 3.73Å; F719-F723 HydrophobicContact CD1-CE2 4.32Å; F719-F723 AromaticContact CE1-CE2 3.81Å; F719-F723 HydrophobicContact CE1-CE2 3.81Å; F719-F723 HydrophobicContact CE1-CZ 4.44Å; F719-F723 HydrophobicContact CZ-CE2 4.18Å; K720-F723 WeakPolarHBondContact O-CB 3.47Å; K720-F723 WeakPolarHBondContact O-CD2 3.27Å; K720-F723 PolarHBondContact O-N 2.76Å; N721-F723 PolarHBondContact O-N 2.93Å; F723-L725 PolarHBondContact O-N 2.8Å; F723-L725 VanDerWaalsContact O-N 3.12Å; F723-F726 HydrophobicContact CB-CD2 4.45Å; F723-F726 AromaticContact CD1-CD2 3.98Å; F723-F726 HydrophobicContact CD1-CD2 3.98Å; F723-F726 AromaticContact CD1-CE2 3.85Å; F723-F726 HydrophobicContact CD1-CE2 3.85Å; F723-F726 HydrophobicContact CE1-CE2 4.29Å; F723-F726 WeakPolarHBondContact O-CB 3.36Å; F723-F726 PolarHBondContact O-N 2.89Å; F723-S741 WeakPolarHBondContact CE1-OG 3.36Å; F723-S741 WeakPolarHBondContact CZ-OG 3.45Å
724S93.3Very high84.8Confident18 Ų1840.1 Ų40.113%0.12623%0.231CC..G310 helixtrans-61.9-19.8175.363.40000112.9A600 N721 R722 F726 Y727A600-S724 VanDerWaalsContact CB-N 3.33Å; N721-S724 VanDerWaalsContact O-CB 3.27Å; N721-S724 WeakPolarHBondContact O-CB 3.34Å; N721-S724 PolarHBondContact O-N 3.49Å; N721-S724 PolarHBondContact O-OG 2.95Å; R722-S724 PolarHBondContact O-N 3.39Å; S724-F726 PolarHBondContact O-N 3.4Å; S724-Y727 WeakPolarHBondContact O-CB 3.18Å; S724-Y727 PolarHBondContact O-N 3.05Å
725L92.4Very high83Confident9 Ų941.2 Ų41.25%0.04723%0.233CC..G310 helixtrans-61.9-27.9173-59.6174.4000112.4V642 V644 V696 L699 I704 L707 R722 F723 Y727V642-L725 HydrophobicContact CG1-CD1 3.94Å; V644-L725 HydrophobicContact CG2-CD1 4.47Å; V696-L725 HydrophobicContact CG1-CG 4.48Å; L699-L725 HydrophobicContact CB-CD2 4.04Å; L699-L725 HydrophobicContact CD2-CD2 3.89Å; L699-L725 HydrophobicContact CG-CD2 4.35Å; I704-L725 HydrophobicContact CD1-CB 3.6Å; I704-L725 HydrophobicContact CG1-CB 4.2Å; L707-L725 HydrophobicContact CD1-CD1 3.7Å; R722-L725 WeakPolarHBondContact O-CG 3.22Å; R722-L725 PolarHBondContact O-N 2.65Å; F723-L725 PolarHBondContact O-N 2.8Å; F723-L725 VanDerWaalsContact O-N 3.12Å; L725-Y727 VanDerWaalsContact C-N 3.28Å; L725-Y727 PolarHBondContact O-N 2.99Å
726F91.3Very high81.1Confident0 Ų046.8 Ų46.80%025%0.25CC..G310 helixtrans-75.7-9.1174.4-65.4-62.6000114.1V609 I704 L707 F723 S724 A728 N729 L730V609-F726 HydrophobicContact CG1-CD2 4.08Å; V609-F726 HydrophobicContact CG1-CE1 4.39Å; V609-F726 HydrophobicContact CG1-CE2 3.68Å; V609-F726 HydrophobicContact CG1-CZ 3.84Å; V609-F726 HydrophobicContact CG2-CB 4.41Å; V609-F726 HydrophobicContact CG2-CD1 4.48Å; V609-F726 HydrophobicContact CG2-CD2 4.21Å; V609-F726 HydrophobicContact CG2-CG 4.14Å; I704-F726 HydrophobicContact CD1-CD1 4.08Å; I704-F726 HydrophobicContact CD1-CE1 3.98Å; I704-F726 HydrophobicContact CD1-CZ 4.5Å; I704-F726 HydrophobicContact CG1-CD1 4.16Å; I704-F726 HydrophobicContact CG1-CE1 4.37Å; I704-F726 WeakPolarHBondContact O-CE1 3.22Å; L707-F726 HydrophobicContact CB-CE1 4.24Å; L707-F726 HydrophobicContact CB-CE2 3.88Å; L707-F726 HydrophobicContact CB-CZ 3.44Å; L707-F726 VanDerWaalsContact CB-CZ 3.44Å; L707-F726 HydrophobicContact CD2-CD2 4.32Å; L707-F726 HydrophobicContact CD2-CE2 3.63Å; L707-F726 HydrophobicContact CD2-CZ 4.11Å; L707-F726 HydrophobicContact CG-CE2 4.42Å; L707-F726 HydrophobicContact CG-CZ 4.43Å; F723-F726 HydrophobicContact CB-CD2 4.45Å; F723-F726 AromaticContact CD1-CD2 3.98Å; F723-F726 HydrophobicContact CD1-CD2 3.98Å; F723-F726 AromaticContact CD1-CE2 3.85Å; F723-F726 HydrophobicContact CD1-CE2 3.85Å; F723-F726 HydrophobicContact CE1-CE2 4.29Å; F723-F726 WeakPolarHBondContact O-CB 3.36Å; F723-F726 PolarHBondContact O-N 2.89Å; S724-F726 PolarHBondContact O-N 3.4Å; F726-A728 PolarHBondContact O-N 3.48Å; F726-N729 WeakPolarHBondContact O-CB 3.42Å; F726-N729 PolarHBondContact O-N 3.13Å; F726-L730 PolarHBondContact O-N 2.98Å
727Y89.8Confident79.4Confident10 Ų1048 Ų484%0.03926%0.264CS..G310 helixtrans-58.5-23-178.2-72.2-4.4000114.2N353 G356 L358 A600 A603 S724 L725 L730N353-Y727 HydrophobicContact CB-CD2 3.99Å; N353-Y727 HydrophobicContact CB-CG 4.33Å; G356-Y727 VanDerWaalsContact O-CE2 3.31Å; G356-Y727 WeakPolarHBondContact O-CE2 3.32Å; G356-Y727 PolarHBondContact O-OH 3.05Å; L358-Y727 HydrophobicContact CB-CD1 3.98Å; L358-Y727 HydrophobicContact CB-CD2 4.48Å; L358-Y727 HydrophobicContact CB-CE1 3.72Å; L358-Y727 HydrophobicContact CB-CE2 4.25Å; L358-Y727 HydrophobicContact CB-CG 4.34Å; L358-Y727 HydrophobicContact CD1-CD1 3.95Å; L358-Y727 HydrophobicContact CD1-CG 3.94Å; L358-Y727 HydrophobicContact CD2-CD1 4.49Å; L358-Y727 HydrophobicContact CG-CD1 4.38Å; A600-Y727 HydrophobicContact CB-CE1 3.63Å; A600-Y727 WeakPolarHBondContact CB-OH 3.22Å; A603-Y727 HydrophobicContact CB-CE1 3.97Å; S724-Y727 WeakPolarHBondContact O-CB 3.18Å; S724-Y727 PolarHBondContact O-N 3.05Å; L725-Y727 VanDerWaalsContact C-N 3.28Å; L725-Y727 PolarHBondContact O-N 2.99Å; Y727-L730 HydrophobicContact CD1-CD1 4.31Å
728A85.9Confident78.6Confident22 Ų2245.9 Ų45.918%0.18224%0.244CC..G310 helixtrans-75.9-32.5173.900000112.7G702 K703 F726 K731G702-A728 WeakPolarHBondContact O-CB 3.42Å; K703-A728 WeakPolarHBondContact CE-O 3.47Å; K703-A728 HydrophobicContact CG-CB 4.28Å; F726-A728 PolarHBondContact O-N 3.48Å; A728-K731 WeakPolarHBondContact O-CB 3.33Å; A728-K731 PolarHBondContact O-N 2.9Å
729N84.9Confident78.3Confident12 Ų1242.9 Ų42.96%0.06423%0.234CC..G310 helixtrans-67.9-41.6178.9-50.928.4000109.5K703 I704 F726 K731 S732 V738K703-N729 VanDerWaalsContact CA-OD1 3.25Å; K703-N729 WeakPolarHBondContact CA-OD1 3.02Å; I704-N729 PolarHBondContact N-OD1 2.69Å; I704-N729 PolarHBondContact O-ND2 3.1Å; F726-N729 WeakPolarHBondContact O-CB 3.42Å; F726-N729 PolarHBondContact O-N 3.13Å; N729-K731 PolarHBondContact O-N 3.46Å; N729-S732 PolarHBondContact O-N 2.9Å; N729-V738 HydrophobicContact CB-CG1 3.41Å; N729-V738 VanDerWaalsContact CB-CG1 3.41Å; N729-V738 PolarHBondContact ND2-O 2.83Å
730L79.9Confident78.1Confident21 Ų2144.3 Ų44.311%0.1124%0.241CC..G310 helixtrans-64.63.4177.8-58171.4000114.8T351 L358 F726 Y727 V738T351-L730 WeakPolarHBondContact CG2-O 3.23Å; T351-L730 PolarHBondContact OG1-O 2.7Å; L358-L730 HydrophobicContact CD1-CB 4.2Å; L358-L730 HydrophobicContact CD1-CD1 4.29Å; L358-L730 HydrophobicContact CD2-CB 4.26Å; L358-L730 HydrophobicContact CD2-CD1 3.49Å; L358-L730 VanDerWaalsContact CD2-CD1 3.49Å; L358-L730 HydrophobicContact CD2-CG 4.45Å; F726-L730 PolarHBondContact O-N 2.98Å; Y727-L730 HydrophobicContact CD1-CD1 4.31Å; L730-V738 HydrophobicContact CD2-CG1 3.75Å; L730-V738 HydrophobicContact CG-CG1 4.32Å
731K72.9Confident78.1Confident87 Ų8743.4 Ų43.438%0.37824%0.237SC..G310 helixtrans-88.9-3.4173.2-56.8-152.2173.8-153.70114.7T351 N353 A728 N729T351-K731 HydrophobicContact CG2-CG 3.96Å; T351-K731 WeakPolarHBondContact O-CE 3.4Å; T351-K731 PolarHBondContact O-NZ 3.16Å; T351-K731 VanDerWaalsContact O-NZ 3.15Å; N353-K731 VanDerWaalsContact CG-CE 3.44Å; N353-K731 WeakPolarHBondContact OD1-CE 3.41Å; N353-K731 PolarHBondContact OD1-NZ 2.88Å; A728-K731 WeakPolarHBondContact O-CB 3.33Å; A728-K731 PolarHBondContact O-N 2.9Å; N729-K731 PolarHBondContact O-N 3.46Å
732S59Low78.2Confident46 Ų4641.2 Ų41.232%0.32223%0.225SC..  trans-149.2105.5177.5-37.30000110.5K703 N729 T734K703-S732 VanDerWaalsContact NZ-CB 3.29Å; K703-S732 PolarHBondContact NZ-OG 2.94Å; N729-S732 PolarHBondContact O-N 2.9Å; S732-T734 PolarHBondContact O-N 2.84Å
733P53.5Low78.2Confident66 Ų6641.4 Ų41.443%0.42923%0.226SC..  trans-79.363.3179.634.5-36.6000111.6P344P344-P733 HydrophobicContact CB-CB 3.65Å; P344-P733 HydrophobicContact CG-CB 3.69Å
734T52.5Low78.2Confident98 Ų9841.3 Ų41.360%0.60123%0.226SC*.  trans-82.9148.1169.546.90000110.4S732 R736S732-T734 PolarHBondContact O-N 2.84Å; T734-R736 PolarHBondContact O-N 2.84Å
735T48.6Very low78.3Confident127 Ų12740.4 Ų40.478%0.77922%0.22SC*.SBendtrans-7250.3-16646.40000116.1
736R51.6Low78.3Confident205 Ų20542.6 Ų42.677%0.77423%0.229SC*.SBendtrans-133.1153.3171.6-70.2-172.9178.9-168.6-0.9109.7T734 V738T734-R736 PolarHBondContact O-N 2.84Å; R736-V738 PolarHBondContact O-N 2.92Å
737P55.9Low78.3Confident78 Ų7844.5 Ų44.551%0.50624%0.242SC..  trans-55128.5173.523.8-34000109.8G739P737-G739 PolarHBondContact O-N 2.86Å
738V73.8Confident78.3Confident27 Ų2748.3 Ų48.316%0.16427%0.266CS..  trans-67.1-26.6-166.4171.60000112.3G607 V609 N729 L730 R736G607-V738 VanDerWaalsContact O-CB 3.28Å; G607-V738 WeakPolarHBondContact O-CB 3.44Å; G607-V738 WeakPolarHBondContact O-CG2 3.49Å; V609-V738 HydrophobicContact CG2-CG1 4.39Å; N729-V738 HydrophobicContact CB-CG1 3.41Å; N729-V738 VanDerWaalsContact CB-CG1 3.41Å; N729-V738 PolarHBondContact ND2-O 2.83Å; L730-V738 HydrophobicContact CD2-CG1 3.75Å; L730-V738 HydrophobicContact CG-CG1 4.32Å; R736-V738 PolarHBondContact O-N 2.92Å
739G85.8Confident78.6Confident5 Ų549.2 Ų49.25%0.05227%0.268CS..  trans178.2172.6171.200000111.4V609 Q610 P705 P737V609-G739 WeakPolarHBondContact CA-O 3.18Å; Q610-G739 PolarHBondContact N-O 3.19Å; P705-G739 CarbonylContact O-C 3.59Å; P705-G739 WeakPolarHBondContact O-CA 3.49Å; P737-G739 PolarHBondContact O-N 2.86Å
740Q91.1Very high78.9Confident31 Ų3149.7 Ų49.715%0.14527%0.271CS..EExtended strand (participates in β ladder)trans-120.5134.7172.3-172.6-177.715.900109.8Q610 P705 L706 L707 V742Q610-Q740 HydrophobicContact CB-CG 4.36Å; Q610-Q740 WeakPolarHBondContact O-CA 3.49Å; P705-Q740 PolarHBondContact O-N 3.21Å; L706-Q740 WeakPolarHBondContact CA-O 3.25Å; L706-Q740 HydrophobicContact CD1-CB 4.19Å; L706-Q740 HydrophobicContact CD1-CG 4.36Å; L707-Q740 PolarHBondContact N-O 3.06Å; Q740-V742 HydrophobicContact CG-CG2 4.13Å
741S94.6Very high79.5Confident0 Ų052.8 Ų52.80%029%0.285CS..EExtended strand (participates in β ladder)trans-110.6121.6169.9162.50000108.8Q610 D612 L707 H709 F723Q610-S741 PolarHBondContact O-N 3.3Å; D612-S741 PolarHBondContact N-O 2.84Å; L707-S741 CarbonylContact O-C 3.59Å; L707-S741 WeakPolarHBondContact O-CA 3.5Å; H709-S741 PolarHBondContact NE2-OG 3.21Å; F723-S741 WeakPolarHBondContact CE1-OG 3.36Å; F723-S741 WeakPolarHBondContact CZ-OG 3.45Å
742V95.1Very high80.5Confident0 Ų050 Ų500%027%0.274CS..EExtended strand (participates in β ladder)trans-111.4123.6174.4-173.80000109.4D612 R614 L629 L706 L707 I708 H709 Q740 F744D612-V742 HydrophobicContact CB-CG1 4.41Å; D612-V742 HydrophobicContact CB-CG2 4.19Å; D612-V742 WeakPolarHBondContact O-CA 3.23Å; R614-V742 HydrophobicContact CG-CG1 4.22Å; L629-V742 HydrophobicContact CD1-CG1 4.07Å; L629-V742 HydrophobicContact CD2-CG2 4.11Å; L706-V742 HydrophobicContact CD1-CG2 3.89Å; L707-V742 PolarHBondContact O-N 3.44Å; I708-V742 CarbonylContact C-O 3.57Å; I708-V742 WeakPolarHBondContact CA-O 3.43Å; H709-V742 PolarHBondContact N-O 3.39Å; Q740-V742 HydrophobicContact CG-CG2 4.13Å; V742-F744 HydrophobicContact CG1-CD1 4.22Å; V742-F744 HydrophobicContact CG1-CE1 3.92Å
743V95.9Very high82.2Confident4 Ų447.8 Ų47.82%0.02426%0.259CS..EExtended strand (participates in β ladder)trans-106.6125178.9-173.50000110.1D612 V613 R614 H709 F712 F719 L756D612-V743 PolarHBondContact O-N 3.13Å; V613-V743 WeakPolarHBondContact CA-O 3.5Å; V613-V743 HydrophobicContact CG1-CB 4.43Å; V613-V743 HydrophobicContact CG2-CB 4.25Å; V613-V743 HydrophobicContact CG2-CG2 4.46Å; R614-V743 PolarHBondContact N-O 2.97Å; H709-V743 HydrophobicContact CB-CB 4.4Å; H709-V743 HydrophobicContact CB-CG1 4.21Å; H709-V743 HydrophobicContact CB-CG2 4.26Å; F712-V743 HydrophobicContact CE1-CG1 3.85Å; F712-V743 HydrophobicContact CZ-CG1 3.84Å; F719-V743 HydrophobicContact CE2-CG1 4.18Å; F719-V743 HydrophobicContact CE2-CG2 4.33Å; F719-V743 HydrophobicContact CZ-CG1 4.35Å; F719-V743 HydrophobicContact CZ-CG2 3.93Å; V743-L756 HydrophobicContact CG1-CD1 4.32Å
744F95.4Very high84.2Confident1 Ų146 Ų460%0.00424%0.243CC..EExtended strand (participates in β ladder)trans-92.5114167.8-65.5-8.8000108.7R614 K622 H625 L626 L629 I708 H709 Y710 V742R614-F744 HydrophobicContact CB-CD1 4.21Å; R614-F744 WeakPolarHBondContact O-CA 3.37Å; K622-F744 HydrophobicContact CB-CD2 4.15Å; K622-F744 HydrophobicContact CB-CE2 4.28Å; K622-F744 HydrophobicContact CD-CB 4.45Å; K622-F744 HydrophobicContact CD-CD2 4.07Å; K622-F744 HydrophobicContact CG-CD2 4.01Å; H625-F744 HydrophobicContact CB-CE1 4.4Å; H625-F744 HydrophobicContact CB-CZ 4.17Å; L626-F744 HydrophobicContact CB-CE2 4.25Å; L626-F744 HydrophobicContact CB-CZ 4.28Å; L629-F744 HydrophobicContact CD1-CE1 3.94Å; L629-F744 HydrophobicContact CD1-CZ 3.91Å; I708-F744 HydrophobicContact CG2-CE2 4.49Å; I708-F744 HydrophobicContact CG2-CZ 4.45Å; H709-F744 PolarHBondContact O-N 2.91Å; Y710-F744 AromaticContact CD2-CD2 3.94Å; Y710-F744 HydrophobicContact CD2-CD2 3.94Å; Y710-F744 HydrophobicContact CD2-CE2 4.1Å; Y710-F744 HydrophobicContact CE2-CD2 4.29Å; Y710-F744 HydrophobicContact CE2-CE2 4.32Å; V742-F744 HydrophobicContact CG1-CD1 4.22Å; V742-F744 HydrophobicContact CG1-CE1 3.92Å
745A94.4Very high86.2Confident0 Ų043.5 Ų43.50%022%0.224CC..EExtended strand (participates in β ladder)trans-114.3140.5179.700000110.3V613 R614 V615 V616 F712 I753V613-A745 HydrophobicContact CG1-CB 4.23Å; R614-A745 PolarHBondContact O-N 2.91Å; V615-A745 CarbonylContact C-O 3.51Å; V615-A745 VanDerWaalsContact CA-O 3.25Å; V615-A745 WeakPolarHBondContact CA-O 3.38Å; V616-A745 PolarHBondContact N-O 3.01Å; F712-A745 HydrophobicContact CE2-CB 3.58Å; F712-A745 HydrophobicContact CZ-CB 3.87Å; A745-I753 HydrophobicContact CB-CD1 4.47Å; A745-I753 HydrophobicContact CB-CG1 4.32Å
746K92.4Very high88.4Confident55 Ų5537.6 Ų37.624%0.23919%0.188CC..  trans-89.5150.7170-58.8-159.1175.8-152.30110.6A617 E619 T748 D749 I753A617-K746 PolarHBondContact O-NZ 2.93Å; E619-K746 WeakPolarHBondContact OE1-CE 3.35Å; E619-K746 IonicContact OE1-NZ 3.76Å; E619-K746 PolarHBondContact OE1-NZ 2.92Å; K746-T748 WeakPolarHBondContact CB-OG1 3.17Å; K746-T748 PolarHBondContact O-N 2.89Å; K746-D749 PolarHBondContact N-OD2 2.79Å; K746-D749 WeakPolarHBondContact O-CB 3.32Å; K746-D749 PolarHBondContact O-N 3.41Å; K746-I753 WeakPolarHBondContact O-CD1 3.48Å
747P91.3Very high90.5Very high40 Ų4027.9 Ų27.926%0.2615%0.151SC..THydrogen-bonded Turntrans-58.3-9.2171.1-23.633.2000114.8V615 A617 R778V615-P747 HydrophobicContact CG1-CG 3.74Å; A617-P747 HydrophobicContact CB-CG 4.47Å; P747-R778 PolarHBondContact O-NE 3.29Å; P747-R778 PolarHBondContact O-NH2 2.98Å
748T90.7Very high92.2Very high90 Ų9025.4 Ų25.455%0.55213%0.134SC*.THydrogen-bonded Turntrans-87.2-15172.949.40000113.9K746 V750K746-T748 WeakPolarHBondContact CB-OG1 3.17Å; K746-T748 PolarHBondContact O-N 2.89Å; T748-V750 PolarHBondContact O-N 2.97Å
749D91.4Very high93.1Very high41 Ų4124.6 Ų24.622%0.21913%0.128CC..  trans-82.737.5-171-59.8-23.8000112.6F712 K746 E751 N752 I753F712-D749 HydrophobicContact CD2-CB 3.83Å; F712-D749 VanDerWaalsContact CD2-OD2 3.28Å; F712-D749 WeakPolarHBondContact CD2-OD2 3.07Å; F712-D749 HydrophobicContact CE2-CB 3.66Å; F712-D749 WeakPolarHBondContact CE2-OD2 3.33Å; K746-D749 PolarHBondContact N-OD2 2.79Å; K746-D749 WeakPolarHBondContact O-CB 3.32Å; K746-D749 PolarHBondContact O-N 3.41Å; D749-E751 VanDerWaalsContact C-N 3.26Å; D749-E751 PolarHBondContact O-N 3.46Å; D749-E751 VanDerWaalsContact O-N 3.1Å; D749-N752 PolarHBondContact O-N 3.29Å; D749-I753 HydrophobicContact CB-CD1 4.39Å; D749-I753 HydrophobicContact CB-CG1 4.38Å; D749-I753 WeakPolarHBondContact O-CG1 3.38Å; D749-I753 PolarHBondContact O-N 2.69Å
750V91.5Very high93.4Very high21 Ų2125.2 Ų25.213%0.12713%0.129CC..Hα-helixtrans-46.7-46.2-169.5-172.40000112.3T748 N752 I753 W754 L775 R778T748-V750 PolarHBondContact O-N 2.97Å; V750-N752 VanDerWaalsContact C-N 3.32Å; V750-N752 PolarHBondContact O-N 3.3Å; V750-I753 PolarHBondContact O-N 2.93Å; V750-W754 WeakPolarHBondContact O-CB 3.41Å; V750-W754 PolarHBondContact O-N 3.37Å; V750-L775 HydrophobicContact CG1-CD2 3.78Å; V750-R778 HydrophobicContact CG1-CB 4.4Å; V750-R778 HydrophobicContact CG2-CB 4.15Å; V750-R778 HydrophobicContact CG2-CG 3.72Å
751E92.4Very high93.3Very high87 Ų8724.4 Ų24.441%0.40713%0.125SC..Hα-helixtrans-61.6-33.6-179.9178.961.3-168.300113.8D749 K755 H806D749-E751 VanDerWaalsContact C-N 3.26Å; D749-E751 PolarHBondContact O-N 3.46Å; D749-E751 VanDerWaalsContact O-N 3.1Å; E751-K755 VanDerWaalsContact CD-NZ 3.34Å; E751-K755 VanDerWaalsContact O-CD 3.31Å; E751-K755 WeakPolarHBondContact O-CD 3.36Å; E751-K755 WeakPolarHBondContact O-CE 3.49Å; E751-K755 WeakPolarHBondContact O-CG 3.47Å; E751-K755 WeakPolarHBondContact OE1-CE 3.43Å; E751-K755 IonicContact OE1-NZ 2.77Å; E751-K755 PolarHBondContact OE1-NZ 3.4Å; E751-H806 IonicContact OE1-CE1 3.31Å; E751-H806 IonicContact OE1-NE2 3.25Å; E751-H806 PolarHBondContact OE1-NE2 2.63Å; E751-H806 IonicContact OE2-CD2 2.78Å; E751-H806 IonicContact OE2-CE1 3.18Å; E751-H806 IonicContact OE2-NE2 3.37Å; E751-H806 PolarHBondContact OE2-NE2 2.95Å
752N93.5Very high92.9Very high28 Ų2828.4 Ų28.415%0.1514%0.143CC..Hα-helixtrans-91.6-33.3178.5-68-43.2000111.9F712 D749 V750 W754 K755 L756F712-N752 HydrophobicContact CD1-CB 3.7Å; F712-N752 HydrophobicContact CD2-CB 3.99Å; F712-N752 HydrophobicContact CE1-CB 3.62Å; F712-N752 HydrophobicContact CE2-CB 3.89Å; F712-N752 HydrophobicContact CG-CB 3.9Å; F712-N752 HydrophobicContact CZ-CB 3.72Å; D749-N752 PolarHBondContact O-N 3.29Å; V750-N752 VanDerWaalsContact C-N 3.32Å; V750-N752 PolarHBondContact O-N 3.3Å; N752-W754 VanDerWaalsContact C-N 3.28Å; N752-W754 PolarHBondContact O-N 3.26Å; N752-K755 PolarHBondContact O-N 3.01Å; N752-L756 PolarHBondContact O-N 2.89Å
753I95.3Very high92.6Very high0 Ų029.2 Ų29.20%015%0.146CC..Hα-helixtrans-60.6-39.5170.2-69175.7000110.4A745 K746 D749 V750 S757 L771 I774 L775A745-I753 HydrophobicContact CB-CD1 4.47Å; A745-I753 HydrophobicContact CB-CG1 4.32Å; K746-I753 WeakPolarHBondContact O-CD1 3.48Å; D749-I753 HydrophobicContact CB-CD1 4.39Å; D749-I753 HydrophobicContact CB-CG1 4.38Å; D749-I753 WeakPolarHBondContact O-CG1 3.38Å; D749-I753 PolarHBondContact O-N 2.69Å; V750-I753 PolarHBondContact O-N 2.93Å; I753-S757 VanDerWaalsContact O-CB 3.31Å; I753-S757 WeakPolarHBondContact O-CB 3.5Å; I753-S757 PolarHBondContact O-N 3.36Å; I753-S757 PolarHBondContact O-OG 3.14Å; I753-L771 HydrophobicContact CG2-CB 3.84Å; I753-L771 HydrophobicContact CG2-CD2 4.21Å; I753-L771 HydrophobicContact CG2-CG 4.42Å; I753-I774 HydrophobicContact CD1-CD1 4.45Å; I753-I774 HydrophobicContact CD1-CG2 4.15Å; I753-L775 HydrophobicContact CB-CD2 4.34Å; I753-L775 HydrophobicContact CG2-CD1 4.36Å; I753-L775 HydrophobicContact CG2-CD2 3.96Å; I753-L775 HydrophobicContact CG2-CG 3.97Å
754W95Very high92Very high27 Ų2733.7 Ų33.710%0.10217%0.165CC..Hα-helixtrans-63.1-48174.7-16694.3000111.4V750 N752 L756 S757 D758 L775 L804 H806 L960V750-W754 WeakPolarHBondContact O-CB 3.41Å; V750-W754 PolarHBondContact O-N 3.37Å; N752-W754 VanDerWaalsContact C-N 3.28Å; N752-W754 PolarHBondContact O-N 3.26Å; W754-L756 PolarHBondContact O-N 3.4Å; W754-S757 PolarHBondContact O-N 3.33Å; W754-D758 HydrophobicContact CE3-CB 4.09Å; W754-D758 HydrophobicContact CH2-CB 4.17Å; W754-D758 HydrophobicContact CZ3-CB 3.8Å; W754-D758 VanDerWaalsContact O-CB 3.31Å; W754-D758 WeakPolarHBondContact O-CB 3.19Å; W754-D758 PolarHBondContact O-N 3.49Å; W754-L775 HydrophobicContact CB-CD1 4.32Å; W754-L775 HydrophobicContact CB-CD2 3.88Å; W754-L775 HydrophobicContact CG-CD1 4.44Å; W754-L775 HydrophobicContact CG-CD2 4.49Å; W754-L804 PolarHBondContact NE1-O 3.41Å; W754-H806 HydrophobicContact CD2-CB 4.07Å; W754-H806 AromaticContact CD2-CD2 3.63Å; W754-H806 HydrophobicContact CE3-CB 4.46Å; W754-H806 AromaticContact CE3-CD2 3.76Å; W754-H806 AromaticContact CG-CD2 3.88Å; W754-H806 HydrophobicContact CH2-CB 4.17Å; W754-H806 HydrophobicContact CZ2-CB 3.73Å; W754-L960 HydrophobicContact CD2-CD1 3.99Å; W754-L960 HydrophobicContact CG-CD1 4.24Å; W754-L960 HydrophobicContact CZ2-CB 3.95Å; W754-L960 HydrophobicContact CZ2-CD1 3.91Å
755K94.4Very high91.5Very high46 Ų4635.9 Ų35.920%0.218%0.177CC..Hα-helixtrans-63.8-37.4178.7-70.4165.6-169161.70113.3W716 E751 N752 F759W716-K755 HydrophobicContact CB-CD 4.14Å; W716-K755 HydrophobicContact CD2-CB 4.1Å; W716-K755 HydrophobicContact CD2-CD 3.95Å; W716-K755 HydrophobicContact CE3-CB 4.05Å; W716-K755 HydrophobicContact CE3-CD 4.16Å; W716-K755 HydrophobicContact CG-CD 3.94Å; W716-K755 HydrophobicContact CH2-CB 4.01Å; W716-K755 HydrophobicContact CZ2-CB 4.02Å; W716-K755 HydrophobicContact CZ3-CB 4.01Å; E751-K755 VanDerWaalsContact CD-NZ 3.34Å; E751-K755 VanDerWaalsContact O-CD 3.31Å; E751-K755 WeakPolarHBondContact O-CD 3.36Å; E751-K755 WeakPolarHBondContact O-CE 3.49Å; E751-K755 WeakPolarHBondContact O-CG 3.47Å; E751-K755 WeakPolarHBondContact OE1-CE 3.43Å; E751-K755 IonicContact OE1-NZ 2.77Å; E751-K755 PolarHBondContact OE1-NZ 3.4Å; N752-K755 PolarHBondContact O-N 3.01Å; K755-F759 VanDerWaalsContact O-CB 3.26Å; K755-F759 WeakPolarHBondContact O-CB 3.28Å; K755-F759 PolarHBondContact O-N 2.73Å
756L94.9Very high91.2Very high4 Ų441.2 Ų41.22%0.02121%0.211CC..Hα-helixtrans-66.8-44.6171.6-78.4171.2000111.5V613 F712 W716 F719 V743 N752 W754 D758 F759 Y760V613-L756 HydrophobicContact CG1-CD1 4.25Å; V613-L756 HydrophobicContact CG2-CD1 4.11Å; F712-L756 HydrophobicContact CE1-CD1 3.73Å; F712-L756 HydrophobicContact CZ-CD1 3.68Å; W716-L756 HydrophobicContact CH2-CD2 4.03Å; W716-L756 HydrophobicContact CH2-CG 4.25Å; W716-L756 HydrophobicContact CZ3-CD2 4.4Å; W716-L756 HydrophobicContact CZ3-CG 4.34Å; F719-L756 HydrophobicContact CE1-CD2 4.12Å; F719-L756 HydrophobicContact CZ-CD2 4.2Å; V743-L756 HydrophobicContact CG1-CD1 4.32Å; N752-L756 PolarHBondContact O-N 2.89Å; W754-L756 PolarHBondContact O-N 3.4Å; L756-D758 VanDerWaalsContact C-N 3.34Å; L756-D758 PolarHBondContact O-N 3.18Å; L756-F759 WeakPolarHBondContact O-CB 3.31Å; L756-F759 PolarHBondContact O-N 2.72Å; L756-Y760 VanDerWaalsContact O-CD2 3.25Å; L756-Y760 WeakPolarHBondContact O-CD2 3.32Å; L756-Y760 PolarHBondContact O-N 3.04Å
757S95Very high91.1Very high0 Ų041.6 Ų41.60%021%0.212CC..Hα-helixtrans-63.1-41.9179.4-590000111.9I753 W754 Y760 M761 L771I753-S757 VanDerWaalsContact O-CB 3.31Å; I753-S757 WeakPolarHBondContact O-CB 3.5Å; I753-S757 PolarHBondContact O-N 3.36Å; I753-S757 PolarHBondContact O-OG 3.14Å; W754-S757 PolarHBondContact O-N 3.33Å; S757-Y760 PolarHBondContact O-N 3.02Å; S757-M761 WeakPolarHBondContact O-CG 3.43Å; S757-M761 PolarHBondContact O-N 3.37Å; S757-M761 VanDerWaalsContact O-N 3.08Å; S757-L771 WeakPolarHBondContact OG-CB 3.32Å
758D92.6Very high91.1Very high26 Ų2640.6 Ų40.614%0.13921%0.205CC..Hα-helixtrans-60.7-44.7173.4177.656.9000111.7W754 L756 M761 K762 L960W754-D758 HydrophobicContact CE3-CB 4.09Å; W754-D758 HydrophobicContact CH2-CB 4.17Å; W754-D758 HydrophobicContact CZ3-CB 3.8Å; W754-D758 VanDerWaalsContact O-CB 3.31Å; W754-D758 WeakPolarHBondContact O-CB 3.19Å; W754-D758 PolarHBondContact O-N 3.49Å; L756-D758 VanDerWaalsContact C-N 3.34Å; L756-D758 PolarHBondContact O-N 3.18Å; D758-M761 PolarHBondContact O-N 3.2Å; D758-K762 WeakPolarHBondContact O-CB 3.33Å; D758-K762 WeakPolarHBondContact O-CG 3.39Å; D758-K762 PolarHBondContact O-N 3.2Å; D758-K762 WeakPolarHBondContact OD1-CE 3.07Å; D758-K762 IonicContact OD1-NZ 2.85Å; D758-K762 PolarHBondContact OD1-NZ 2.86Å; D758-K762 IonicContact OD2-NZ 3.68Å; D758-K762 PolarHBondContact OD2-NZ 3.49Å; D758-L960 HydrophobicContact CB-CD1 3.9Å
759F92.8Very high91.1Very high11 Ų1138.5 Ų38.55%0.04820%0.202CC..Hα-helixtrans-61.2-48.2175.8-175.8-88.5000112.2L601 E602 V605 L611 K755 L756 M761 K762 H763 L765L601-F759 HydrophobicContact CD1-CE1 4.01Å; L601-F759 HydrophobicContact CD1-CE2 4.31Å; L601-F759 HydrophobicContact CD1-CZ 3.73Å; L601-F759 HydrophobicContact CD2-CD1 4.41Å; L601-F759 HydrophobicContact CD2-CD2 3.74Å; L601-F759 HydrophobicContact CD2-CE1 4.2Å; L601-F759 HydrophobicContact CD2-CE2 3.47Å; L601-F759 VanDerWaalsContact CD2-CE2 3.47Å; L601-F759 HydrophobicContact CD2-CG 4.2Å; L601-F759 HydrophobicContact CD2-CZ 3.74Å; L601-F759 HydrophobicContact CG-CD2 4.27Å; L601-F759 HydrophobicContact CG-CE1 4.08Å; L601-F759 HydrophobicContact CG-CE2 3.48Å; L601-F759 VanDerWaalsContact CG-CE2 3.48Å; L601-F759 HydrophobicContact CG-CZ 3.38Å; E602-F759 WeakPolarHBondContact OE1-CE2 3.07Å; V605-F759 HydrophobicContact CG2-CE1 3.77Å; V605-F759 HydrophobicContact CG2-CZ 3.53Å; L611-F759 HydrophobicContact CD1-CD1 4.25Å; L611-F759 HydrophobicContact CD1-CE1 3.76Å; K755-F759 VanDerWaalsContact O-CB 3.26Å; K755-F759 WeakPolarHBondContact O-CB 3.28Å; K755-F759 PolarHBondContact O-N 2.73Å; L756-F759 WeakPolarHBondContact O-CB 3.31Å; L756-F759 PolarHBondContact O-N 2.72Å; F759-M761 PolarHBondContact O-N 3.18Å; F759-K762 PolarHBondContact O-N 2.62Å; F759-H763 AromaticContact CD1-CD2 3.85Å; F759-H763 AromaticContact CD2-CD2 3.64Å; F759-H763 AromaticContact CD2-NE2 3.89Å; F759-H763 AromaticContact CE1-CD2 3.51Å; F759-H763 AromaticContact CE2-CD2 3.3Å; F759-H763 WeakPolarHBondContact CE2-CD2 3.47Å; F759-H763 AromaticContact CE2-NE2 3.23Å; F759-H763 WeakPolarHBondContact CE2-NE2 3.29Å; F759-H763 AromaticContact CG-CD2 3.9Å; F759-H763 AromaticContact CZ-CD2 3.21Å; F759-H763 WeakPolarHBondContact CZ-CD2 3.47Å; F759-H763 AromaticContact CZ-NE2 3.36Å; F759-H763 WeakPolarHBondContact CZ-NE2 3.47Å; F759-H763 WeakPolarHBondContact O-CB 3.44Å; F759-H763 PolarHBondContact O-CD2 3.05Å; F759-H763 PolarHBondContact O-N 2.67Å; F759-H763 VanDerWaalsContact O-N 3.08Å; F759-L765 HydrophobicContact CD1-CD1 4.41Å; F759-L765 HydrophobicContact CE1-CD1 4.22Å
760Y92.3Very high91.1Very high18 Ų1842.8 Ų42.87%0.07122%0.22CC..Hα-helixtrans-58.1-48.5178.1-90.6-119.1000111.5L611 V613 L756 S757 K762 H763 K764 L765 P766 P768L611-Y760 VanDerWaalsContact C-OH 3.26Å; L611-Y760 HydrophobicContact CB-CE2 4.22Å; L611-Y760 VanDerWaalsContact CB-OH 3.22Å; L611-Y760 WeakPolarHBondContact CB-OH 3.08Å; L611-Y760 HydrophobicContact CD1-CE2 4.21Å; L611-Y760 PolarHBondContact O-OH 3.4Å; V613-Y760 HydrophobicContact CG2-CE2 4.25Å; L756-Y760 VanDerWaalsContact O-CD2 3.25Å; L756-Y760 WeakPolarHBondContact O-CD2 3.32Å; L756-Y760 PolarHBondContact O-N 3.04Å; S757-Y760 PolarHBondContact O-N 3.02Å; Y760-K762 PolarHBondContact O-N 2.67Å; Y760-H763 PolarHBondContact O-N 3.04Å; Y760-K764 PolarHBondContact O-N 3.48Å; Y760-L765 HydrophobicContact CD1-CB 3.47Å; Y760-L765 VanDerWaalsContact CD1-CB 3.47Å; Y760-L765 HydrophobicContact CD1-CD1 4.15Å; Y760-L765 HydrophobicContact CD1-CG 4.46Å; Y760-L765 HydrophobicContact CD2-CD1 4.1Å; Y760-L765 HydrophobicContact CE1-CB 4.09Å; Y760-L765 HydrophobicContact CE1-CD1 4.33Å; Y760-L765 HydrophobicContact CE2-CD1 4.31Å; Y760-L765 HydrophobicContact CG-CB 3.85Å; Y760-L765 HydrophobicContact CG-CD1 4.04Å; Y760-L765 PolarHBondContact O-N 3.31Å; Y760-P766 WeakPolarHBondContact CD1-O 3.35Å; Y760-P768 HydrophobicContact CD1-CB 4.38Å; Y760-P768 HydrophobicContact CD1-CG 4.39Å; Y760-P768 HydrophobicContact CG-CG 4.33Å
761M88.4Confident91.2Very high13 Ų1342.1 Ų42.16%0.06422%0.216CC..Hα-helixtrans-60.3-45.7177.4-68.4-61.2-51.400111.9S757 D758 F759 H763 K764 R767 E958 L960S757-M761 WeakPolarHBondContact O-CG 3.43Å; S757-M761 PolarHBondContact O-N 3.37Å; S757-M761 VanDerWaalsContact O-N 3.08Å; D758-M761 PolarHBondContact O-N 3.2Å; F759-M761 PolarHBondContact O-N 3.18Å; M761-H763 PolarHBondContact O-N 2.95Å; M761-K764 PolarHBondContact O-N 3.05Å; M761-R767 HydrophobicContact SD-CB 4.37Å; M761-R767 HydrophobicContact SD-CG 3.95Å; M761-E958 HydrophobicContact CE-CB 3.76Å; M761-E958 HydrophobicContact CE-CG 4.14Å; M761-L960 HydrophobicContact CG-CD2 4.05Å
762K86.7Confident91.3Very high84 Ų8438.5 Ų38.537%0.36520%0.199SC..Hα-helixtrans-64.6-24.8179.5-79.3165.8173.6160.10114I576 H578 D758 F759 Y760I576-K762 HydrophobicContact CD1-CD 4.09Å; H578-K762 PolarHBondContact CE1-O 3.35Å; H578-K762 PolarHBondContact ND1-O 2.88Å; D758-K762 WeakPolarHBondContact O-CB 3.33Å; D758-K762 WeakPolarHBondContact O-CG 3.39Å; D758-K762 PolarHBondContact O-N 3.2Å; D758-K762 WeakPolarHBondContact OD1-CE 3.07Å; D758-K762 IonicContact OD1-NZ 2.85Å; D758-K762 PolarHBondContact OD1-NZ 2.86Å; D758-K762 IonicContact OD2-NZ 3.68Å; D758-K762 PolarHBondContact OD2-NZ 3.49Å; F759-K762 PolarHBondContact O-N 2.62Å; Y760-K762 PolarHBondContact O-N 2.67Å
763H87.3Confident91.3Very high17 Ų1738.7 Ų38.78%0.07921%0.207CC..THydrogen-bonded Turntrans-102.36.4-178.2-79.8-68.1000114.7I576 W577 E602 F759 Y760 M761 L765I576-H763 WeakPolarHBondContact CG2-CE1 3.49Å; W577-H763 PolarHBondContact O-CE1 3.31Å; W577-H763 VanDerWaalsContact O-CE1 3.25Å; W577-H763 PolarHBondContact O-ND1 3.09Å; W577-H763 VanDerWaalsContact O-ND1 3.12Å; E602-H763 IonicContact OE1-CE1 2.93Å; E602-H763 IonicContact OE1-NE2 2.7Å; E602-H763 PolarHBondContact OE1-NE2 3.12Å; E602-H763 VanDerWaalsContact OE1-NE2 3.11Å; E602-H763 IonicContact OE2-CE1 2.7Å; E602-H763 PolarHBondContact OE2-CE1 2.99Å; E602-H763 IonicContact OE2-NE2 3.9Å; E602-H763 PolarHBondContact OE2-NE2 3.44Å; F759-H763 AromaticContact CD1-CD2 3.85Å; F759-H763 AromaticContact CD2-CD2 3.64Å; F759-H763 AromaticContact CD2-NE2 3.89Å; F759-H763 AromaticContact CE1-CD2 3.51Å; F759-H763 AromaticContact CE2-CD2 3.3Å; F759-H763 WeakPolarHBondContact CE2-CD2 3.47Å; F759-H763 AromaticContact CE2-NE2 3.23Å; F759-H763 WeakPolarHBondContact CE2-NE2 3.29Å; F759-H763 AromaticContact CG-CD2 3.9Å; F759-H763 AromaticContact CZ-CD2 3.21Å; F759-H763 WeakPolarHBondContact CZ-CD2 3.47Å; F759-H763 AromaticContact CZ-NE2 3.36Å; F759-H763 WeakPolarHBondContact CZ-NE2 3.47Å; F759-H763 WeakPolarHBondContact O-CB 3.44Å; F759-H763 PolarHBondContact O-CD2 3.05Å; F759-H763 PolarHBondContact O-N 2.67Å; F759-H763 VanDerWaalsContact O-N 3.08Å; Y760-H763 PolarHBondContact O-N 3.04Å; M761-H763 PolarHBondContact O-N 2.95Å; H763-L765 HydrophobicContact CB-CD1 4.35Å; H763-L765 HydrophobicContact CB-CG 3.92Å; H763-L765 PolarHBondContact O-N 3.24Å
764K83.8Confident91.2Very high98 Ų9839.4 Ų39.443%0.42621%0.211SC..THydrogen-bonded Turntrans53.729.8-172.7-64.8-178.1161.2-172.40113.5D580 Y760 M761D580-K764 WeakPolarHBondContact OD2-CD 3.48Å; D580-K764 WeakPolarHBondContact OD2-CE 3.31Å; D580-K764 IonicContact OD2-NZ 3.65Å; D580-K764 PolarHBondContact OD2-NZ 3.39Å; Y760-K764 PolarHBondContact O-N 3.48Å; M761-K764 PolarHBondContact O-N 3.05Å
765L86.5Confident91.2Very high48 Ų4838.2 Ų38.225%0.25121%0.207SC..PPolyproline II helixtrans-73.5156.7170.3-57.6-177.3000109.3L611 F759 Y760 H763 R767L611-L765 HydrophobicContact CD1-CD1 3.87Å; F759-L765 HydrophobicContact CD1-CD1 4.41Å; F759-L765 HydrophobicContact CE1-CD1 4.22Å; Y760-L765 HydrophobicContact CD1-CB 3.47Å; Y760-L765 VanDerWaalsContact CD1-CB 3.47Å; Y760-L765 HydrophobicContact CD1-CD1 4.15Å; Y760-L765 HydrophobicContact CD1-CG 4.46Å; Y760-L765 HydrophobicContact CD2-CD1 4.1Å; Y760-L765 HydrophobicContact CE1-CB 4.09Å; Y760-L765 HydrophobicContact CE1-CD1 4.33Å; Y760-L765 HydrophobicContact CE2-CD1 4.31Å; Y760-L765 HydrophobicContact CG-CB 3.85Å; Y760-L765 HydrophobicContact CG-CD1 4.04Å; Y760-L765 PolarHBondContact O-N 3.31Å; H763-L765 HydrophobicContact CB-CD1 4.35Å; H763-L765 HydrophobicContact CB-CG 3.92Å; H763-L765 PolarHBondContact O-N 3.24Å; L765-R767 PolarHBondContact O-N 2.82Å
766P87.9Confident91.1Very high111 Ų11137.1 Ų37.172%0.72121%0.205SC*.PPolyproline II helixtrans-50.6123.8-178.1-2936.1000112.3Y760 P768Y760-P766 WeakPolarHBondContact CD1-O 3.35Å; P766-P768 WeakPolarHBondContact O-CD 3.32Å; P766-P768 VanDerWaalsContact O-N 3.12Å
767R88.9Confident90.9Very high64 Ų6442.3 Ų42.324%0.24223%0.229CC..PPolyproline II helixtrans-54.4116.2-172.6177.7170169.491.4-13.9110.4M761 L765 G769 L772 H1024M761-R767 HydrophobicContact SD-CB 4.37Å; M761-R767 HydrophobicContact SD-CG 3.95Å; L765-R767 PolarHBondContact O-N 2.82Å; R767-G769 VanDerWaalsContact C-N 3.27Å; R767-G769 PolarHBondContact O-N 2.81Å; R767-L772 HydrophobicContact CG-CD1 4.06Å; R767-H1024 PolarHBondContact NE-CD2 3.05Å; R767-H1024 PolarHBondContact NE-NE2 2.94Å; R767-H1024 PolarHBondContact NH2-CD2 2.87Å
768P91.6Very high90.7Very high18 Ų1845.4 Ų45.412%0.11724%0.241CC..  trans-8368.8-165.933.2-36.9000111.6Y760 P766 H770 L771 L772Y760-P768 HydrophobicContact CD1-CB 4.38Å; Y760-P768 HydrophobicContact CD1-CG 4.39Å; Y760-P768 HydrophobicContact CG-CG 4.33Å; P766-P768 WeakPolarHBondContact O-CD 3.32Å; P766-P768 VanDerWaalsContact O-N 3.12Å; P768-H770 VanDerWaalsContact C-N 3.28Å; P768-H770 PolarHBondContact O-N 2.81Å; P768-H770 VanDerWaalsContact O-N 3.12Å; P768-L771 HydrophobicContact CB-CB 4.11Å; P768-L771 HydrophobicContact CB-CD1 3.9Å; P768-L771 HydrophobicContact CB-CG 4Å; P768-L771 HydrophobicContact CG-CB 4.46Å; P768-L771 HydrophobicContact CG-CD1 4.41Å; P768-L771 WeakPolarHBondContact O-CA 3.49Å; P768-L771 WeakPolarHBondContact O-CB 3.1Å; P768-L771 PolarHBondContact O-N 3.35Å; P768-L772 PolarHBondContact O-N 3.07Å; P768-L772 VanDerWaalsContact O-N 3.09Å
769G90.7Very high90.4Very high47 Ų4745 Ų4549%0.48524%0.238SC..Hα-helixtrans-51.4-39.6-170.200000114.8R767 L771 L772 G773R767-G769 VanDerWaalsContact C-N 3.27Å; R767-G769 PolarHBondContact O-N 2.81Å; G769-L771 PolarHBondContact O-N 3.04Å; G769-L772 PolarHBondContact O-N 3.45Å; G769-G773 PolarHBondContact O-N 3.11Å
770H91.3Very high90.1Very high131 Ų13147.8 Ų47.861%0.60625%0.252SS*.Hα-helixtrans-62.9-40.8175.8-174.4-116.5000112.9P768 G773 I774P768-H770 VanDerWaalsContact C-N 3.28Å; P768-H770 PolarHBondContact O-N 2.81Å; P768-H770 VanDerWaalsContact O-N 3.12Å; H770-G773 PolarHBondContact O-N 3.45Å; H770-I774 WeakPolarHBondContact O-CG1 3.4Å; H770-I774 PolarHBondContact O-N 3.05Å; H770-I774 VanDerWaalsContact O-N 3.16Å
771L94.8Very high89.8Confident7 Ų750.1 Ų50.14%0.03726%0.264CS..Hα-helixtrans-66.4-40.5175.9-58.9-170.1000111.2V613 V615 I753 S757 P768 G769 G773 I774 L775V613-L771 HydrophobicContact CB-CD1 4.33Å; V613-L771 HydrophobicContact CG1-CD1 4.03Å; V613-L771 HydrophobicContact CG1-CD2 4.09Å; V615-L771 HydrophobicContact CG2-CD2 3.44Å; V615-L771 VanDerWaalsContact CG2-CD2 3.44Å; I753-L771 HydrophobicContact CG2-CB 3.84Å; I753-L771 HydrophobicContact CG2-CD2 4.21Å; I753-L771 HydrophobicContact CG2-CG 4.42Å; S757-L771 WeakPolarHBondContact OG-CB 3.32Å; P768-L771 HydrophobicContact CB-CB 4.11Å; P768-L771 HydrophobicContact CB-CD1 3.9Å; P768-L771 HydrophobicContact CB-CG 4Å; P768-L771 HydrophobicContact CG-CB 4.46Å; P768-L771 HydrophobicContact CG-CD1 4.41Å; P768-L771 WeakPolarHBondContact O-CA 3.49Å; P768-L771 WeakPolarHBondContact O-CB 3.1Å; P768-L771 PolarHBondContact O-N 3.35Å; G769-L771 PolarHBondContact O-N 3.04Å; L771-G773 VanDerWaalsContact C-N 3.31Å; L771-G773 PolarHBondContact O-N 3.15Å; L771-I774 HydrophobicContact CD2-CD1 4.49Å; L771-I774 PolarHBondContact O-N 2.83Å; L771-L775 WeakPolarHBondContact O-CG 3.46Å; L771-L775 PolarHBondContact O-N 2.9Å; L771-L775 VanDerWaalsContact O-N 3.09Å
772L94.1Very high89.5Confident10 Ų1053.2 Ų53.25%0.05228%0.278CS..Hα-helixtrans-63.4-37.3175-56.6-174.6000111.8R767 P768 G769 L775 S776 L804 L960R767-L772 HydrophobicContact CG-CD1 4.06Å; P768-L772 PolarHBondContact O-N 3.07Å; P768-L772 VanDerWaalsContact O-N 3.09Å; G769-L772 PolarHBondContact O-N 3.45Å; L772-L775 HydrophobicContact CD2-CD1 4.24Å; L772-L775 PolarHBondContact O-N 3Å; L772-S776 PolarHBondContact O-N 3.23Å; L772-S776 PolarHBondContact O-OG 2.91Å; L772-L804 HydrophobicContact CB-CD2 4.1Å; L772-L804 HydrophobicContact CD1-CD1 4.3Å; L772-L804 HydrophobicContact CD2-CD1 4.3Å; L772-L804 HydrophobicContact CD2-CD2 4.49Å; L772-L804 WeakPolarHBondContact O-CD2 3.28Å; L772-L960 HydrophobicContact CD2-CD2 3.64Å
773G93.3Very high89Confident32 Ų3250.5 Ų50.533%0.3327%0.267SS..Hα-helixtrans-56.6-51.8172.200000112.1G769 H770 L771 L775 S776 Q777G769-G773 PolarHBondContact O-N 3.11Å; H770-G773 PolarHBondContact O-N 3.45Å; L771-G773 VanDerWaalsContact C-N 3.31Å; L771-G773 PolarHBondContact O-N 3.15Å; G773-L775 VanDerWaalsContact C-N 3.31Å; G773-L775 PolarHBondContact O-N 2.87Å; G773-S776 PolarHBondContact O-N 2.89Å; G773-S776 VanDerWaalsContact O-N 3.13Å; G773-S776 PolarHBondContact O-OG 2.84Å; G773-Q777 PolarHBondContact O-N 2.64Å
774I93.9Very high88.4Confident16 Ų1656.1 Ų56.18%0.08229%0.293CS..Hα-helixtrans-57.3-44177.2-63.7162.8000111.4V615 I753 H770 L771 Q777 R778V615-I774 HydrophobicContact CB-CD1 4.22Å; V615-I774 HydrophobicContact CG1-CD1 3.71Å; V615-I774 HydrophobicContact CG2-CD1 3.69Å; I753-I774 HydrophobicContact CD1-CD1 4.45Å; I753-I774 HydrophobicContact CD1-CG2 4.15Å; H770-I774 WeakPolarHBondContact O-CG1 3.4Å; H770-I774 PolarHBondContact O-N 3.05Å; H770-I774 VanDerWaalsContact O-N 3.16Å; L771-I774 HydrophobicContact CD2-CD1 4.49Å; L771-I774 PolarHBondContact O-N 2.83Å; I774-Q777 PolarHBondContact O-N 2.85Å; I774-R778 HydrophobicContact CG2-CG 4.35Å; I774-R778 WeakPolarHBondContact O-CB 3.48Å; I774-R778 WeakPolarHBondContact O-CG 3.41Å; I774-R778 PolarHBondContact O-N 3.25Å
775L93.8Very high87.8Confident1 Ų158.2 Ų58.21%0.00531%0.308CS..Hα-helixtrans-61.1-45.2176.9-65.2172.2000111.7V750 I753 W754 L771 L772 G773 R779 L804V750-L775 HydrophobicContact CG1-CD2 3.78Å; I753-L775 HydrophobicContact CB-CD2 4.34Å; I753-L775 HydrophobicContact CG2-CD1 4.36Å; I753-L775 HydrophobicContact CG2-CD2 3.96Å; I753-L775 HydrophobicContact CG2-CG 3.97Å; W754-L775 HydrophobicContact CB-CD1 4.32Å; W754-L775 HydrophobicContact CB-CD2 3.88Å; W754-L775 HydrophobicContact CG-CD1 4.44Å; W754-L775 HydrophobicContact CG-CD2 4.49Å; L771-L775 WeakPolarHBondContact O-CG 3.46Å; L771-L775 PolarHBondContact O-N 2.9Å; L771-L775 VanDerWaalsContact O-N 3.09Å; L772-L775 HydrophobicContact CD2-CD1 4.24Å; L772-L775 PolarHBondContact O-N 3Å; G773-L775 VanDerWaalsContact C-N 3.31Å; G773-L775 PolarHBondContact O-N 2.87Å; L775-R779 WeakPolarHBondContact O-CG 3.5Å; L775-R779 PolarHBondContact O-N 2.87Å; L775-L804 HydrophobicContact CB-CD2 4.23Å
776S92.8Very high86.8Confident24 Ų2461.8 Ų61.817%0.16832%0.323CS..Hα-helixtrans-65.8-42.7178.563.10000113.3L772 G773 R779 L780L772-S776 PolarHBondContact O-N 3.23Å; L772-S776 PolarHBondContact O-OG 2.91Å; G773-S776 PolarHBondContact O-N 2.89Å; G773-S776 VanDerWaalsContact O-N 3.13Å; G773-S776 PolarHBondContact O-OG 2.84Å; S776-R779 PolarHBondContact O-N 3.26Å; S776-L780 PolarHBondContact O-N 3.33Å
777Q90.9Very high85.7Confident112 Ų11264.6 Ų64.652%0.52333%0.327SS..Hα-helixtrans-64.1-44.7178.9-179.6-179.7-2600111G773 I774 R779 L780 E781G773-Q777 PolarHBondContact O-N 2.64Å; I774-Q777 PolarHBondContact O-N 2.85Å; Q777-R779 VanDerWaalsContact C-N 3.27Å; Q777-R779 PolarHBondContact O-N 2.96Å; Q777-L780 WeakPolarHBondContact O-CB 3.48Å; Q777-L780 PolarHBondContact O-N 2.9Å; Q777-E781 HydrophobicContact CG-CG 4.45Å; Q777-E781 WeakPolarHBondContact CG-OE1 3.47Å; Q777-E781 PolarHBondContact NE2-OE1 2.92Å; Q777-E781 PolarHBondContact O-N 2.88Å
778R89.4Confident84.3Confident65 Ų6563.8 Ų63.825%0.24533%0.33CS..Hα-helixtrans-60.5-34.1178.5-72.9-75.4-173.1-1516.7112.8P747 V750 I774 L780 E781 E782P747-R778 PolarHBondContact O-NE 3.29Å; P747-R778 PolarHBondContact O-NH2 2.98Å; V750-R778 HydrophobicContact CG1-CB 4.4Å; V750-R778 HydrophobicContact CG2-CB 4.15Å; V750-R778 HydrophobicContact CG2-CG 3.72Å; I774-R778 HydrophobicContact CG2-CG 4.35Å; I774-R778 WeakPolarHBondContact O-CB 3.48Å; I774-R778 WeakPolarHBondContact O-CG 3.41Å; I774-R778 PolarHBondContact O-N 3.25Å; R778-L780 VanDerWaalsContact C-N 3.27Å; R778-L780 PolarHBondContact O-N 3.24Å; R778-E781 WeakPolarHBondContact CD-OE2 3.31Å; R778-E781 IonicContact CZ-OE2 3.37Å; R778-E781 IonicContact NE-OE2 3.73Å; R778-E781 IonicContact NH1-OE2 3.61Å; R778-E781 PolarHBondContact NH1-OE2 2.65Å; R778-E781 PolarHBondContact O-N 3.3Å; R778-E782 VanDerWaalsContact O-CB 3.32Å; R778-E782 WeakPolarHBondContact O-CB 3.25Å; R778-E782 WeakPolarHBondContact O-CG 3.47Å; R778-E782 PolarHBondContact O-N 2.93Å
779R87.9Confident82.7Confident19 Ų1968.5 Ų68.57%0.07236%0.358CS..Hα-helixtrans-67.4-24.5174.6-69.2-71.8175.7-102.7-12.9113.9L775 S776 Q777 E782 R805 H806L775-R779 WeakPolarHBondContact O-CG 3.5Å; L775-R779 PolarHBondContact O-N 2.87Å; S776-R779 PolarHBondContact O-N 3.26Å; Q777-R779 VanDerWaalsContact C-N 3.27Å; Q777-R779 PolarHBondContact O-N 2.96Å; R779-E782 WeakPolarHBondContact CD-OE2 3.46Å; R779-E782 IonicContact CZ-OE2 2.79Å; R779-E782 IonicContact NE-OE2 2.69Å; R779-E782 IonicContact NH1-OE1 3.78Å; R779-E782 PolarHBondContact NH1-OE1 3.28Å; R779-E782 IonicContact NH1-OE2 3.79Å; R779-E782 PolarHBondContact NH1-OE2 3.5Å; R779-R805 PolarHBondContact NE-O 3.16Å; R779-R805 PolarHBondContact NH2-O 2.79Å; R779-H806 PolarHBondContact NH2-O 3.37Å
780L85.7Confident81.5Confident68 Ų6867.7 Ų67.736%0.35635%0.345SS..Hα-helixtrans-78.6-51.1172-58.1174.9000109.7S776 Q777 R778 E782 Q783 E784 M797 H812S776-L780 PolarHBondContact O-N 3.33Å; Q777-L780 WeakPolarHBondContact O-CB 3.48Å; Q777-L780 PolarHBondContact O-N 2.9Å; R778-L780 VanDerWaalsContact C-N 3.27Å; R778-L780 PolarHBondContact O-N 3.24Å; L780-E782 PolarHBondContact O-N 3.4Å; L780-Q783 PolarHBondContact O-N 3.43Å; L780-E784 PolarHBondContact O-N 3.4Å; L780-M797 HydrophobicContact CD2-CE 3.88Å; L780-M797 HydrophobicContact CD2-SD 4.39Å; L780-H812 HydrophobicContact CD2-CB 3.83Å
781E86.6Confident80.5Confident67 Ų6770.2 Ų70.231%0.31335%0.349SS..Hα-helixtrans-57.2-43.9179-66.3173.3-177.700112.9Q777 R778 Q783 E784 L785Q777-E781 HydrophobicContact CG-CG 4.45Å; Q777-E781 WeakPolarHBondContact CG-OE1 3.47Å; Q777-E781 PolarHBondContact NE2-OE1 2.92Å; Q777-E781 PolarHBondContact O-N 2.88Å; R778-E781 WeakPolarHBondContact CD-OE2 3.31Å; R778-E781 IonicContact CZ-OE2 3.37Å; R778-E781 IonicContact NE-OE2 3.73Å; R778-E781 IonicContact NH1-OE2 3.61Å; R778-E781 PolarHBondContact NH1-OE2 2.65Å; R778-E781 PolarHBondContact O-N 3.3Å; E781-Q783 PolarHBondContact O-N 3.26Å; E781-E784 PolarHBondContact O-N 2.94Å; E781-L785 PolarHBondContact O-N 3.08Å
782E82.3Confident79.9Confident78 Ų7872.5 Ų72.536%0.36437%0.366SS..Hα-helixtrans-55.6-33.7175.3-78.8167.6176.400112.5R778 R779 L780 H786R778-E782 VanDerWaalsContact O-CB 3.32Å; R778-E782 WeakPolarHBondContact O-CB 3.25Å; R778-E782 WeakPolarHBondContact O-CG 3.47Å; R778-E782 PolarHBondContact O-N 2.93Å; R779-E782 WeakPolarHBondContact CD-OE2 3.46Å; R779-E782 IonicContact CZ-OE2 2.79Å; R779-E782 IonicContact NE-OE2 2.69Å; R779-E782 IonicContact NH1-OE1 3.78Å; R779-E782 PolarHBondContact NH1-OE1 3.28Å; R779-E782 IonicContact NH1-OE2 3.79Å; R779-E782 PolarHBondContact NH1-OE2 3.5Å; L780-E782 PolarHBondContact O-N 3.4Å; E782-H786 PolarHBondContact O-N 3.25Å; E782-H786 VanDerWaalsContact O-N 3.16Å; E782-H786 PolarHBondContact O-ND1 3.39Å
783Q75.9Confident79.6Confident28 Ų2873 Ų7313%0.13137%0.369CS..Hα-helixtrans-93.5-13-177.8-162.1-142.9-5100113.6L780 E781 L785 H786 H812L780-Q783 PolarHBondContact O-N 3.43Å; E781-Q783 PolarHBondContact O-N 3.26Å; Q783-L785 VanDerWaalsContact C-N 3.33Å; Q783-H786 CarbonylContact C-O 3.51Å; Q783-H812 VanDerWaalsContact OE1-CA 3.29Å; Q783-H812 VanDerWaalsContact OE1-CB 3.24Å; Q783-H812 PolarHBondContact OE1-ND1 2.87Å
784E73.8Confident79.4Confident135 Ų13571.5 Ų71.563%0.63135%0.353SS*.Hα-helixtrans-77.2-27.1164.5-60.8-154.1125.300111L780 E781 K1041L780-E784 PolarHBondContact O-N 3.4Å; E781-E784 PolarHBondContact O-N 2.94Å; E784-K1041 IonicContact OE1-NZ 3.93Å; E784-K1041 PolarHBondContact OE1-NZ 3.37Å
785L71.5Confident79.2Confident142 Ų14276.1 Ų76.174%0.74337%0.374SS*.Hα-helixtrans-82.2-33.3175.6-164.969000113.6E781 Q783E781-L785 PolarHBondContact O-N 3.08Å; Q783-L785 VanDerWaalsContact C-N 3.33Å
786H66.8Low79.2Confident123 Ų12376.3 Ų76.357%0.56938%0.375SS*.SBendtrans-115125.5-180-55.386000110.9E782 Q783E782-H786 PolarHBondContact O-N 3.25Å; E782-H786 VanDerWaalsContact O-N 3.16Å; E782-H786 PolarHBondContact O-ND1 3.39Å; Q783-H786 CarbonylContact C-O 3.51Å
787Q63.1Low79.1Confident169 Ų16975.5 Ų75.579%0.7937%0.369SS*.  trans-54.4138.7174.9-69.4-173.3-1.500111T789Q787-T789 PolarHBondContact O-N 3.11Å
788P60.4Low79.1Confident47 Ų4771.1 Ų71.131%0.30535%0.352SS..  trans-66110.6-171.625.6-34.2000111.4S790 R811P788-S790 PolarHBondContact O-N 3.28Å; P788-S790 VanDerWaalsContact O-N 3.17Å; P788-R811 HydrophobicContact CB-CB 4.33Å
789T57Low79.3Confident117 Ų11768.5 Ų68.572%0.71834%0.344SS*.SBendtrans-68.4-9.1179.944.80000114.4Q787Q787-T789 PolarHBondContact O-N 3.11Å
790S65.4Low79.5Confident30 Ų3068.8 Ų68.821%0.2135%0.346CS..  trans-127.8136.6172.1178.20000111.2P788 S792 M809P788-S790 PolarHBondContact O-N 3.28Å; P788-S790 VanDerWaalsContact O-N 3.17Å; S790-S792 VanDerWaalsContact C-N 3.26Å; S790-S792 PolarHBondContact O-N 3.06Å; S790-S792 PolarHBondContact OG-N 3.21Å; S790-S792 VanDerWaalsContact OG-N 3.13Å; S790-S792 PolarHBondContact OG-OG 3.12Å; S790-M809 WeakPolarHBondContact CB-O 3.27Å
791R72.1Confident79.9Confident184 Ų18465.9 Ų65.969%0.69433%0.333SS*.SBendtrans-66.7-26.2171-66-178.4177.5-179.2-1.1112.5R811R791-R811 PolarHBondContact O-NE 3.11Å; R791-R811 PolarHBondContact O-NH2 2.85Å
792S81.7Confident80.2Confident55 Ų5563.2 Ų63.239%0.38532%0.321SS..SBendtrans-85.5136-173.155.90000113.7S790 Y810 R811S790-S792 VanDerWaalsContact C-N 3.26Å; S790-S792 PolarHBondContact O-N 3.06Å; S790-S792 PolarHBondContact OG-N 3.21Å; S790-S792 VanDerWaalsContact OG-N 3.13Å; S790-S792 PolarHBondContact OG-OG 3.12Å; S792-Y810 WeakPolarHBondContact OG-CD1 3.11Å; S792-R811 PolarHBondContact O-N 3.21Å; S792-R811 VanDerWaalsContact O-N 3.09Å
793L87Confident80.7Confident22 Ų2259.6 Ų59.612%0.11530%0.304CS..BIsolated β-bridgetrans-64.1141.7175.5-170.869.7000111.1H795 A798 R811 M814L793-H795 PolarHBondContact O-N 3.24Å; L793-A798 HydrophobicContact CD2-CB 3.86Å; L793-A798 HydrophobicContact CG-CB 4.35Å; L793-R811 CarbonylContact C-O 3.59Å; L793-R811 WeakPolarHBondContact CA-O 3.18Å; L793-R811 WeakPolarHBondContact CD1-O 3.33Å; L793-M814 HydrophobicContact CD1-CB 4.48Å; L793-M814 HydrophobicContact CD2-CE 3.72Å
794C90.3Very high81.5Confident0 Ų058.4 Ų58.40%030%0.298CS..PPolyproline II helixtrans-67126.3-178.6178.20000110.6Q796 M797 A798 R811 H812C794-Q796 VanDerWaalsContact C-N 3.25Å; C794-Q796 PolarHBondContact O-N 3.44Å; C794-M797 HydrophobicContact CB-CB 3.86Å; C794-M797 WeakPolarHBondContact O-CA 3.42Å; C794-M797 WeakPolarHBondContact O-CB 3.38Å; C794-M797 PolarHBondContact O-N 2.71Å; C794-A798 PolarHBondContact O-N 3.09Å; C794-R811 WeakPolarHBondContact CB-O 3.41Å; C794-R811 PolarHBondContact N-O 3.45Å; C794-H812 VanDerWaalsContact CB-CD2 3.41Å; C794-H812 WeakPolarHBondContact CB-CD2 3.16Å
795H89.8Confident82.2Confident112 Ų11255 Ų5552%0.51928%0.28SS..THydrogen-bonded Turntrans-61.7-29.6-176.3-72.560.8000113.6L793 A799L793-H795 PolarHBondContact O-N 3.24Å; H795-A799 VanDerWaalsContact O-CB 3.23Å; H795-A799 WeakPolarHBondContact O-CB 3.32Å; H795-A799 PolarHBondContact O-N 3.17Å
796Q92.8Very high82.9Confident6 Ų651 Ų513%0.02826%0.257CS..THydrogen-bonded Turntrans-72.6-42.7171.1-73.3-163.32.400111.5C794 A798 A799 F800 D802 R805 L960 D961C794-Q796 VanDerWaalsContact C-N 3.25Å; C794-Q796 PolarHBondContact O-N 3.44Å; Q796-A798 PolarHBondContact O-N 3.41Å; Q796-A799 PolarHBondContact O-N 3.5Å; Q796-F800 HydrophobicContact CB-CD2 4.3Å; Q796-F800 WeakPolarHBondContact O-CD2 3.42Å; Q796-F800 PolarHBondContact O-N 3.34Å; Q796-D802 CarbonylContact C-O 3.59Å; Q796-D802 VanDerWaalsContact C-O 3.28Å; Q796-R805 HydrophobicContact CG-CG 4.5Å; Q796-L960 PolarHBondContact NE2-O 3.18Å; Q796-L960 VanDerWaalsContact NE2-O 3.08Å; Q796-D961 PolarHBondContact NE2-O 3.5Å
797M91.9Very high83.7Confident6 Ų652.8 Ų52.83%0.0326%0.263CS..Hα-helixtrans-60.1-47.4178-160.175.6-171.500110.9L780 C794 A799 G801 D802 H812 M1036L780-M797 HydrophobicContact CD2-CE 3.88Å; L780-M797 HydrophobicContact CD2-SD 4.39Å; C794-M797 HydrophobicContact CB-CB 3.86Å; C794-M797 WeakPolarHBondContact O-CA 3.42Å; C794-M797 WeakPolarHBondContact O-CB 3.38Å; C794-M797 PolarHBondContact O-N 2.71Å; M797-A799 PolarHBondContact O-N 3.38Å; M797-G801 WeakPolarHBondContact CE-O 3.17Å; M797-G801 VanDerWaalsContact O-CA 3.29Å; M797-G801 WeakPolarHBondContact O-CA 3.46Å; M797-G801 PolarHBondContact O-N 2.78Å; M797-D802 PolarHBondContact N-O 3.13Å; M797-H812 WeakPolarHBondContact CE-O 3.49Å; M797-H812 HydrophobicContact CG-CB 4.23Å; M797-H812 HydrophobicContact SD-CB 4.03Å; M797-M1036 HydrophobicContact CE-CB 4.15Å; M797-M1036 HydrophobicContact CE-CG 4Å; M797-M1036 HydrophobicContact CE-SD 4.4Å; M797-M1036 HydrophobicContact CG-CG 4.42Å; M797-M1036 HydrophobicContact CG-SD 3.72Å
798A91.1Very high84.7Confident20 Ų2046 Ų4617%0.16523%0.234CC..Hα-helixtrans-66.7-14175.700000114.6L793 C794 Q796L793-A798 HydrophobicContact CD2-CB 3.86Å; L793-A798 HydrophobicContact CG-CB 4.35Å; C794-A798 PolarHBondContact O-N 3.09Å; Q796-A798 PolarHBondContact O-N 3.41Å
799A92.2Very high85.8Confident11 Ų1150 Ų509%0.09125%0.25CS..Hα-helixtrans-101.1-36178.800000113.4H795 Q796 M797H795-A799 VanDerWaalsContact O-CB 3.23Å; H795-A799 WeakPolarHBondContact O-CB 3.32Å; H795-A799 PolarHBondContact O-N 3.17Å; Q796-A799 PolarHBondContact O-N 3.5Å; M797-A799 PolarHBondContact O-N 3.38Å
800F93.4Very high87.2Confident24 Ų2448.7 Ų48.711%0.10523%0.233CC..Hα-helixtrans-132.2-5.4-164.3-52.1-65.9000113.9Q796 D802 Q956 R962 K1032Q796-F800 HydrophobicContact CB-CD2 4.3Å; Q796-F800 WeakPolarHBondContact O-CD2 3.42Å; Q796-F800 PolarHBondContact O-N 3.34Å; F800-D802 WeakPolarHBondContact CB-OD1 3.25Å; F800-D802 PolarHBondContact O-N 2.86Å; F800-Q956 HydrophobicContact CE1-CB 3.88Å; F800-Q956 HydrophobicContact CZ-CB 4.03Å; F800-R962 VanDerWaalsContact CD2-CD 3.44Å; F800-R962 HydrophobicContact CE2-CB 4.16Å; F800-R962 VanDerWaalsContact CE2-CD 3.4Å; F800-R962 HydrophobicContact CE2-CG 4.41Å; F800-K1032 WeakPolarHBondContact O-CB 3.35Å; F800-K1032 VanDerWaalsContact O-CD 3.32Å; F800-K1032 WeakPolarHBondContact O-CD 3.44Å
801G92.6Very high88.4Confident8 Ų847.5 Ų47.58%0.08222%0.224CC..SBendtrans70.56.4-174.200000114.8M797M797-G801 WeakPolarHBondContact CE-O 3.17Å; M797-G801 VanDerWaalsContact O-CA 3.29Å; M797-G801 WeakPolarHBondContact O-CA 3.46Å; M797-G801 PolarHBondContact O-N 2.78Å
802D93.5Very high89.2Confident11 Ų1139 Ų396%0.05919%0.192CC..SBendtrans-147.1165.5177.263.48000112.1Q796 M797 F800 R962 K1032Q796-D802 CarbonylContact C-O 3.59Å; Q796-D802 VanDerWaalsContact C-O 3.28Å; M797-D802 PolarHBondContact N-O 3.13Å; F800-D802 WeakPolarHBondContact CB-OD1 3.25Å; F800-D802 PolarHBondContact O-N 2.86Å; D802-R962 PolarHBondContact O-NH1 3.32Å; D802-R962 IonicContact OD1-CZ 2.69Å; D802-R962 IonicContact OD1-NH1 2.69Å; D802-R962 PolarHBondContact OD1-NH1 3.38Å; D802-R962 IonicContact OD1-NH2 3.49Å; D802-R962 PolarHBondContact OD1-NH2 2.85Å; D802-R962 IonicContact OD2-NH2 2.75Å; D802-R962 PolarHBondContact OD2-NH2 3.29Å; D802-K1032 HydrophobicContact CB-CD 4.35Å; D802-K1032 WeakPolarHBondContact OD2-CE 3.43Å; D802-K1032 IonicContact OD2-NZ 2.99Å; D802-K1032 PolarHBondContact OD2-NZ 3.1Å
803C92.6Very high89.5Confident2 Ų237.3 Ų37.31%0.01418%0.179CC..  trans-129.4125.8177.4-173.70000111H812C803-H812 PolarHBondContact SG-NE2 2.88Å
804L92.4Very high89.6Confident2 Ų236.5 Ų36.51%0.0118%0.175CC..  trans-115.18.1-178.8-59.1179.7000113W754 L772 L775 L960W754-L804 PolarHBondContact NE1-O 3.41Å; L772-L804 HydrophobicContact CB-CD2 4.1Å; L772-L804 HydrophobicContact CD1-CD1 4.3Å; L772-L804 HydrophobicContact CD2-CD1 4.3Å; L772-L804 HydrophobicContact CD2-CD2 4.49Å; L772-L804 WeakPolarHBondContact O-CD2 3.28Å; L775-L804 HydrophobicContact CB-CD2 4.23Å; L804-L960 HydrophobicContact CD1-CD2 4.46Å
805R89Confident89.5Confident64 Ų6438.2 Ų38.224%0.24218%0.182CC..  trans-61.9143.6179.4-67.9178.7165.6177.1-7.6111.8R779 Q796 K807 C808 Y810R779-R805 PolarHBondContact NE-O 3.16Å; R779-R805 PolarHBondContact NH2-O 2.79Å; Q796-R805 HydrophobicContact CG-CG 4.5Å; R805-K807 VanDerWaalsContact C-N 3.3Å; R805-K807 WeakPolarHBondContact CB-O 3.35Å; R805-K807 PolarHBondContact O-N 3.08Å; R805-C808 HydrophobicContact CB-CB 4.28Å; R805-Y810 VanDerWaalsContact NH1-CD2 3.28Å; R805-Y810 VanDerWaalsContact NH1-CE2 3.32Å
806H85.1Confident89.5Confident57 Ų5739.5 Ų39.526%0.26418%0.182SC..SBendtrans-61.8-36.8178.5-176-115.1000113.1E751 W754 R779E751-H806 IonicContact OE1-CE1 3.31Å; E751-H806 IonicContact OE1-NE2 3.25Å; E751-H806 PolarHBondContact OE1-NE2 2.63Å; E751-H806 IonicContact OE2-CD2 2.78Å; E751-H806 IonicContact OE2-CE1 3.18Å; E751-H806 IonicContact OE2-NE2 3.37Å; E751-H806 PolarHBondContact OE2-NE2 2.95Å; W754-H806 HydrophobicContact CD2-CB 4.07Å; W754-H806 AromaticContact CD2-CD2 3.63Å; W754-H806 HydrophobicContact CE3-CB 4.46Å; W754-H806 AromaticContact CE3-CD2 3.76Å; W754-H806 AromaticContact CG-CD2 3.88Å; W754-H806 HydrophobicContact CH2-CB 4.17Å; W754-H806 HydrophobicContact CZ2-CB 3.73Å; R779-H806 PolarHBondContact NH2-O 3.37Å
807K83.6Confident89.1Confident161 Ų16143.3 Ų43.370%0.720%0.203SC*.SBendtrans-140.8149.9165-62.2-172.5179.3-172.30108.3R805R805-K807 VanDerWaalsContact C-N 3.3Å; R805-K807 WeakPolarHBondContact CB-O 3.35Å; R805-K807 PolarHBondContact O-N 3.08Å
808C85.5Confident88.8Confident28 Ų2844 Ų4419%0.18921%0.206CC..  trans-146.5125.8178.6-163.60000111R805 H812R805-C808 HydrophobicContact CB-CB 4.28Å; C808-H812 PolarHBondContact SG-NE2 2.99Å
809M83.8Confident88.6Confident129 Ų12944.3 Ų44.364%0.63521%0.205SC*.  trans-98.29178.5-52.2-55.7-66.900112.8S790S790-M809 WeakPolarHBondContact CB-O 3.27Å
810Y86.5Confident88.5Confident91 Ų9150.1 Ų50.136%0.35723%0.234SC..SBendtrans-101.2152.3-176-62.9-92.7000111S792 R805 H812S792-Y810 WeakPolarHBondContact OG-CD1 3.11Å; R805-Y810 VanDerWaalsContact NH1-CD2 3.28Å; R805-Y810 VanDerWaalsContact NH1-CE2 3.32Å; Y810-H812 PolarHBondContact O-CE1 2.91Å; Y810-H812 VanDerWaalsContact O-CE1 3.26Å; Y810-H812 PolarHBondContact O-ND1 2.85Å
811R88.9Confident88.3Confident4 Ų449.6 Ų49.62%0.01523%0.233CC..BIsolated β-bridgetrans-65.6131175171.7168.460.291.2-6.1110.6P788 R791 S792 L793 C794 V813 E818P788-R811 HydrophobicContact CB-CB 4.33Å; R791-R811 PolarHBondContact O-NE 3.11Å; R791-R811 PolarHBondContact O-NH2 2.85Å; S792-R811 PolarHBondContact O-N 3.21Å; S792-R811 VanDerWaalsContact O-N 3.09Å; L793-R811 CarbonylContact C-O 3.59Å; L793-R811 WeakPolarHBondContact CA-O 3.18Å; L793-R811 WeakPolarHBondContact CD1-O 3.33Å; C794-R811 WeakPolarHBondContact CB-O 3.41Å; C794-R811 PolarHBondContact N-O 3.45Å; R811-V813 VanDerWaalsContact CD-O 3.29Å; R811-V813 WeakPolarHBondContact CD-O 3.37Å; R811-V813 HydrophobicContact CG-CB 4.47Å; R811-V813 WeakPolarHBondContact CG-O 3.29Å; R811-V813 PolarHBondContact NH1-O 3.47Å; R811-E818 IonicContact CZ-OE1 2.67Å; R811-E818 IonicContact CZ-OE2 3.81Å; R811-E818 IonicContact NH1-OE1 3.9Å; R811-E818 PolarHBondContact NH1-OE1 2.91Å; R811-E818 IonicContact NH1-OE2 3.2Å; R811-E818 PolarHBondContact NH1-OE2 3.3Å; R811-E818 IonicContact NH2-OE1 2.99Å; R811-E818 PolarHBondContact NH2-OE1 3.45Å; R811-E818 IonicContact NH2-OE2 3.91Å; R811-E818 PolarHBondContact NH2-OE2 2.91Å
812H90.4Very high88.2Confident6 Ų651 Ų513%0.02824%0.241CC..  trans-106.310.4173.6-48.1102.4000112.6L780 Q783 C794 M797 C803 C808 Y810L780-H812 HydrophobicContact CD2-CB 3.83Å; Q783-H812 VanDerWaalsContact OE1-CA 3.29Å; Q783-H812 VanDerWaalsContact OE1-CB 3.24Å; Q783-H812 PolarHBondContact OE1-ND1 2.87Å; C794-H812 VanDerWaalsContact CB-CD2 3.41Å; C794-H812 WeakPolarHBondContact CB-CD2 3.16Å; M797-H812 WeakPolarHBondContact CE-O 3.49Å; M797-H812 HydrophobicContact CG-CB 4.23Å; M797-H812 HydrophobicContact SD-CB 4.03Å; C803-H812 PolarHBondContact SG-NE2 2.88Å; C808-H812 PolarHBondContact SG-NE2 2.99Å; Y810-H812 PolarHBondContact O-CE1 2.91Å; Y810-H812 VanDerWaalsContact O-CE1 3.26Å; Y810-H812 PolarHBondContact O-ND1 2.85Å
813V87.5Confident88Confident20 Ų2057.3 Ų57.312%0.12127%0.274CS..SBendtrans-113.4116.6175.8174.50000108.7R811 K1041R811-V813 VanDerWaalsContact CD-O 3.29Å; R811-V813 WeakPolarHBondContact CD-O 3.37Å; R811-V813 HydrophobicContact CG-CB 4.47Å; R811-V813 WeakPolarHBondContact CG-O 3.29Å; R811-V813 PolarHBondContact NH1-O 3.47Å; V813-K1041 HydrophobicContact CG1-CB 3.98Å; V813-K1041 HydrophobicContact CG1-CD 3.92Å; V813-K1041 HydrophobicContact CG1-CG 3.73Å
814M88.6Confident87.9Confident4 Ų459.5 Ų59.52%0.0229%0.285CS..  trans-70.6141.4173.3178.6165.5-90.500110.5L793 E818 V819 I996 H997 M1036 V1037 S1040 K1041L793-M814 HydrophobicContact CD1-CB 4.48Å; L793-M814 HydrophobicContact CD2-CE 3.72Å; M814-E818 HydrophobicContact CE-CB 4.41Å; M814-E818 HydrophobicContact CG-CB 3.84Å; M814-V819 HydrophobicContact CG-CG2 4.09Å; M814-V819 HydrophobicContact SD-CG2 3.93Å; M814-I996 HydrophobicContact CE-CG2 3.98Å; M814-I996 HydrophobicContact SD-CG2 3.96Å; M814-H997 HydrophobicContact CE-CB 4.03Å; M814-M1036 HydrophobicContact CB-CG 4.21Å; M814-M1036 HydrophobicContact CE-CE 3.79Å; M814-M1036 HydrophobicContact SD-CE 3.99Å; M814-V1037 HydrophobicContact SD-CG2 4.25Å; M814-S1040 VanDerWaalsContact O-CA 3.22Å; M814-S1040 WeakPolarHBondContact O-CA 3.08Å; M814-S1040 WeakPolarHBondContact O-CB 3.48Å; M814-K1041 PolarHBondContact O-N 2.97Å; M814-K1041 VanDerWaalsContact O-N 3.13Å
815W88.9Confident88Confident37 Ų3759.7 Ų59.714%0.1429%0.285CS..BIsolated β-bridgetrans-84.9156.5172.2-62.8-41000111.4D817 E818 V819 K1041 C1043W815-D817 VanDerWaalsContact C-N 3.34Å; W815-D817 WeakPolarHBondContact CB-OD1 3.38Å; W815-D817 PolarHBondContact O-N 3.34Å; W815-E818 HydrophobicContact CB-CG 4.14Å; W815-E818 HydrophobicContact CE3-CG 4.34Å; W815-E818 PolarHBondContact N-OE2 2.94Å; W815-E818 WeakPolarHBondContact O-CB 3.25Å; W815-E818 PolarHBondContact O-N 3.32Å; W815-E818 VanDerWaalsContact O-N 3.09Å; W815-V819 PolarHBondContact O-N 3.05Å; W815-K1041 CarbonylContact C-O 3.58Å; W815-K1041 WeakPolarHBondContact CA-O 3.29Å; W815-C1043 HydrophobicContact CB-CB 4.45Å; W815-C1043 HydrophobicContact CD2-CB 3.93Å; W815-C1043 HydrophobicContact CE3-CB 4.29Å; W815-C1043 HydrophobicContact CG-CB 4.02Å
816R88.5Confident88.2Confident138 Ų13857.6 Ų57.652%0.52128%0.28SS..Hα-helixtrans-64.1-34.9-176.7-69.3-168.9-172.6139.25.8113.9E818 V819 K1041 D1042R816-E818 VanDerWaalsContact C-N 3.29Å; R816-V819 PolarHBondContact O-N 3.2Å; R816-K1041 PolarHBondContact N-O 3.05Å; R816-D1042 WeakPolarHBondContact CD-OD1 3.22Å; R816-D1042 IonicContact CZ-OD1 3.25Å; R816-D1042 VanDerWaalsContact CZ-OD1 3.31Å; R816-D1042 IonicContact CZ-OD2 3.44Å; R816-D1042 IonicContact NE-OD1 3.12Å; R816-D1042 IonicContact NH1-OD1 2.85Å; R816-D1042 PolarHBondContact NH1-OD1 2.84Å; R816-D1042 IonicContact NH1-OD2 2.91Å; R816-D1042 PolarHBondContact NH1-OD2 2.86Å; R816-D1042 IonicContact NH2-OD2 3.36Å; R816-D1042 PolarHBondContact NH2-OD2 2.97Å
817D84.1Confident88.5Confident87 Ų8760 Ų6047%0.46529%0.29SS..Hα-helixtrans-67.3-29.6172.963.6-44000112.2W815 M1046W815-D817 VanDerWaalsContact C-N 3.34Å; W815-D817 WeakPolarHBondContact CB-OD1 3.38Å; W815-D817 PolarHBondContact O-N 3.34Å; D817-M1046 HydrophobicContact CB-CE 4.21Å
818E86Confident88.8Confident21 Ų2158.4 Ų58.410%0.09829%0.288CS..Hα-helixtrans-74.9-21.2175.6-65.6178.214300113.8R811 M814 W815 R816 L820 H997R811-E818 IonicContact CZ-OE1 2.67Å; R811-E818 IonicContact CZ-OE2 3.81Å; R811-E818 IonicContact NH1-OE1 3.9Å; R811-E818 PolarHBondContact NH1-OE1 2.91Å; R811-E818 IonicContact NH1-OE2 3.2Å; R811-E818 PolarHBondContact NH1-OE2 3.3Å; R811-E818 IonicContact NH2-OE1 2.99Å; R811-E818 PolarHBondContact NH2-OE1 3.45Å; R811-E818 IonicContact NH2-OE2 3.91Å; R811-E818 PolarHBondContact NH2-OE2 2.91Å; M814-E818 HydrophobicContact CE-CB 4.41Å; M814-E818 HydrophobicContact CG-CB 3.84Å; W815-E818 HydrophobicContact CB-CG 4.14Å; W815-E818 HydrophobicContact CE3-CG 4.34Å; W815-E818 PolarHBondContact N-OE2 2.94Å; W815-E818 WeakPolarHBondContact O-CB 3.25Å; W815-E818 PolarHBondContact O-N 3.32Å; W815-E818 VanDerWaalsContact O-N 3.09Å; R816-E818 VanDerWaalsContact C-N 3.29Å; E818-L820 PolarHBondContact O-N 2.86Å; E818-H997 WeakPolarHBondContact CA-ND1 3.17Å; E818-H997 WeakPolarHBondContact O-CA 3.42Å; E818-H997 WeakPolarHBondContact O-CB 3.41Å; E818-H997 PolarHBondContact O-N 3.18Å; E818-H997 PolarHBondContact O-ND1 3.5Å
819V88.3Confident89.2Confident26 Ų2658.5 Ų58.516%0.15829%0.294CS..Hα-helixtrans-60.4-48.7-175.3167.60000112.1M814 W815 R816 H997 V1037M814-V819 HydrophobicContact CG-CG2 4.09Å; M814-V819 HydrophobicContact SD-CG2 3.93Å; W815-V819 PolarHBondContact O-N 3.05Å; R816-V819 PolarHBondContact O-N 3.2Å; V819-H997 PolarHBondContact O-N 2.72Å; V819-V1037 HydrophobicContact CG1-CG1 3.62Å; V819-V1037 HydrophobicContact CG1-CG2 4.4Å; V819-V1037 HydrophobicContact CG2-CG1 4.3Å
820L88.8Confident89.8Confident133 Ų13357.8 Ų57.870%0.69629%0.293SS*.SBendtrans-76.7132.7-171.3-65.6176.8000111.1E818E818-L820 PolarHBondContact O-N 2.86Å
821P90.3Very high90.2Very high13 Ų1354 Ų548%0.08428%0.278CS..PPolyproline II helixtrans-74.4149.217232.6-35.6000110.8K827 A995 H997P821-K827 HydrophobicContact CG-CD 4.48Å; P821-K827 HydrophobicContact CG-CG 4.05Å; P821-A995 HydrophobicContact CB-CB 3.87Å; P821-A995 HydrophobicContact CG-CB 3.92Å; P821-A995 WeakPolarHBondContact CG-O 3.21Å; P821-H997 VanDerWaalsContact CA-O 3.27Å; P821-H997 WeakPolarHBondContact CA-O 3.35Å; P821-H997 WeakPolarHBondContact CB-O 3.35Å
822P90Very high90.5Very high37 Ų3759.6 Ų59.624%0.2430%0.299CS..PPolyproline II helixtrans-55.6148.4178.1-23.432.9000112.5H824 Y825P822-H824 PolarHBondContact O-N 2.77Å; P822-Y825 HydrophobicContact CB-CD2 3.83Å; P822-Y825 HydrophobicContact CB-CE2 4.17Å; P822-Y825 HydrophobicContact CG-CD2 3.88Å; P822-Y825 HydrophobicContact CG-CE2 3.85Å; P822-Y825 HydrophobicContact CG-CG 4.5Å; P822-Y825 VanDerWaalsContact O-CB 3.28Å; P822-Y825 WeakPolarHBondContact O-CB 3.34Å; P822-Y825 PolarHBondContact O-N 2.83Å
823D89.5Confident90.7Very high143 Ų14359.3 Ų59.377%0.76530%0.298SS*.THydrogen-bonded Turntrans-65.6-20.2-167.5-68.6-54.2000116.5Y825 K827D823-Y825 VanDerWaalsContact C-N 3.33Å; D823-K827 IonicContact OD1-NZ 2.69Å; D823-K827 PolarHBondContact OD1-NZ 2.9Å; D823-K827 VanDerWaalsContact OD1-NZ 3.17Å
824H91.3Very high91Very high49 Ų4959.2 Ų59.223%0.22730%0.297CS..THydrogen-bonded Turntrans-80.2-12.6172.455.1-78000113.2P822 Q851P822-H824 PolarHBondContact O-N 2.77Å; H824-Q851 PolarHBondContact O-NE2 2.69Å; H824-Q851 PolarHBondContact O-OE1 2.68Å
825Y93.8Very high91.1Very high6 Ų660.4 Ų60.42%0.02430%0.304CS..SBendtrans-74134.2176.9-83.4-129.9000111P822 D823 K827 R945 M948 R998 I1000P822-Y825 HydrophobicContact CB-CD2 3.83Å; P822-Y825 HydrophobicContact CB-CE2 4.17Å; P822-Y825 HydrophobicContact CG-CD2 3.88Å; P822-Y825 HydrophobicContact CG-CE2 3.85Å; P822-Y825 HydrophobicContact CG-CG 4.5Å; P822-Y825 VanDerWaalsContact O-CB 3.28Å; P822-Y825 WeakPolarHBondContact O-CB 3.34Å; P822-Y825 PolarHBondContact O-N 2.83Å; D823-Y825 VanDerWaalsContact C-N 3.33Å; Y825-K827 PolarHBondContact O-N 2.83Å; Y825-R945 HydrophobicContact CE2-CG 4.44Å; Y825-M948 HydrophobicContact CD1-SD 4.35Å; Y825-M948 HydrophobicContact CD2-CE 3.8Å; Y825-M948 HydrophobicContact CD2-CG 4.44Å; Y825-M948 HydrophobicContact CD2-SD 4.14Å; Y825-M948 HydrophobicContact CE1-CB 4.09Å; Y825-M948 HydrophobicContact CE1-CG 4.1Å; Y825-M948 HydrophobicContact CE1-SD 4.37Å; Y825-M948 HydrophobicContact CE2-CE 3.98Å; Y825-M948 HydrophobicContact CE2-CG 3.88Å; Y825-M948 HydrophobicContact CE2-SD 4.18Å; Y825-M948 HydrophobicContact CG-CE 4.36Å; Y825-M948 HydrophobicContact CG-SD 4.24Å; Y825-R998 VanDerWaalsContact CE1-C 3.48Å; Y825-R998 VanDerWaalsContact CE1-O 3.25Å; Y825-R998 WeakPolarHBondContact CE1-O 3.16Å; Y825-R998 PolarHBondContact OH-O 2.71Å; Y825-R998 VanDerWaalsContact OH-O 3.08Å; Y825-I1000 HydrophobicContact CD1-CD1 3.85Å; Y825-I1000 HydrophobicContact CD1-CG1 3.58Å; Y825-I1000 HydrophobicContact CE1-CD1 4.21Å; Y825-I1000 HydrophobicContact CE1-CG1 3.96Å
826P93.7Very high91.2Very high20 Ų2059.8 Ų59.813%0.1330%0.303CS..  trans-68.3120.5175.327.2-32.9000109.9I831 L848 V992 I1000P826-I831 HydrophobicContact CB-CG2 3.75Å; P826-I831 HydrophobicContact CG-CG2 3.63Å; P826-L848 HydrophobicContact CG-CD1 3.8Å; P826-V992 HydrophobicContact CB-CG2 4.36Å; P826-V992 HydrophobicContact CG-CG2 4.26Å; P826-I1000 HydrophobicContact CG-CD1 3.95Å
827K89.8Confident91.3Very high108 Ų10855.1 Ų55.147%0.4729%0.29SS..  trans-85-21-177.3-65.6169.1-175.9170.10112.4P821 D823 Y825P821-K827 HydrophobicContact CG-CD 4.48Å; P821-K827 HydrophobicContact CG-CG 4.05Å; D823-K827 IonicContact OD1-NZ 2.69Å; D823-K827 PolarHBondContact OD1-NZ 2.9Å; D823-K827 VanDerWaalsContact OD1-NZ 3.17Å; Y825-K827 PolarHBondContact O-N 2.83Å
828N90.5Very high91.7Very high126 Ų12651.4 Ų51.467%0.67427%0.271SS*.SBendtrans-160.3178.6172.257.846.8000110.4
829G94Very high92Very high30 Ų3052.5 Ų52.531%0.30927%0.274SS..EExtended strand (participates in β ladder)trans95.3-177170.800000115.6V991 V992G829-V991 CarbonylContact O-C 3.55Å; G829-V991 WeakPolarHBondContact O-CA 3.27Å; G829-V992 PolarHBondContact O-N 3.44Å
830L95.7Very high92.2Very high115 Ų11552 Ų5260%0.60227%0.272SS*.EExtended strand (participates in β ladder)trans-82131.6175.5-179.770.3000109.9H989 V991L830-H989 HydrophobicContact CD1-CB 4.27Å; L830-V991 HydrophobicContact CD1-CG2 4.04Å
831I96.3Very high92.4Very high10 Ų1045.7 Ų45.75%0.05124%0.239CC..EExtended strand (participates in β ladder)trans-119142.8175.656.3163.7000110.7P826 F833 L848 L950 H989 A990 V992P826-I831 HydrophobicContact CB-CG2 3.75Å; P826-I831 HydrophobicContact CG-CG2 3.63Å; I831-F833 HydrophobicContact CD1-CD1 3.87Å; I831-F833 HydrophobicContact CD1-CE1 4.15Å; I831-F833 HydrophobicContact CG1-CD1 4.05Å; I831-F833 HydrophobicContact CG1-CE1 4.29Å; I831-L848 HydrophobicContact CB-CD2 4.2Å; I831-L848 HydrophobicContact CD1-CD2 4.07Å; I831-L848 HydrophobicContact CG2-CD2 4.5Å; I831-L950 HydrophobicContact CD1-CD1 4.1Å; I831-H989 VanDerWaalsContact O-CA 3.22Å; I831-H989 WeakPolarHBondContact O-CA 3.3Å; I831-H989 WeakPolarHBondContact O-CB 3.29Å; I831-A990 HydrophobicContact CG1-CB 4.31Å; I831-A990 VanDerWaalsContact CG1-O 3.3Å; I831-A990 WeakPolarHBondContact CG1-O 3.25Å; I831-A990 PolarHBondContact N-O 3.46Å; I831-A990 PolarHBondContact O-N 2.96Å; I831-A990 VanDerWaalsContact O-N 3.16Å; I831-V992 HydrophobicContact CD1-CG2 3.96Å; I831-V992 HydrophobicContact CG1-CG2 4.03Å; I831-V992 HydrophobicContact CG2-CG2 3.77Å
832R95.4Very high92.6Very high123 Ų12345.5 Ų45.546%0.46424%0.238SC..EExtended strand (participates in β ladder)trans-109.4135.1165.8-63.4178.2-72.7-131.54.6110.2L848 S849 D850 F988 H989R832-L848 WeakPolarHBondContact O-CA 3.48Å; R832-S849 PolarHBondContact O-N 3.32Å; R832-D850 WeakPolarHBondContact CB-OD2 3.46Å; R832-D850 IonicContact CZ-OD1 3.56Å; R832-D850 VanDerWaalsContact CZ-OD1 3.25Å; R832-D850 IonicContact CZ-OD2 3.54Å; R832-D850 IonicContact NE-OD1 3.49Å; R832-D850 PolarHBondContact NE-OD1 2.71Å; R832-D850 IonicContact NE-OD2 2.7Å; R832-D850 PolarHBondContact NE-OD2 3.05Å; R832-D850 VanDerWaalsContact NE-OD2 3.1Å; R832-D850 IonicContact NH2-OD1 2.71Å; R832-D850 PolarHBondContact NH2-OD1 3.49Å; R832-D850 IonicContact NH2-OD2 3.47Å; R832-F988 WeakPolarHBondContact CA-O 3.41Å; R832-H989 HydrophobicContact CG-CB 4.41Å
833F94.6Very high92.9Very high0 Ų044.4 Ų44.40%023%0.233CC..EExtended strand (participates in β ladder)trans-149.7161.9-173.560.1-90.5000113.5I831 V835 V846 R847 L848 L950 F988 A990 I1005I831-F833 HydrophobicContact CD1-CD1 3.87Å; I831-F833 HydrophobicContact CD1-CE1 4.15Å; I831-F833 HydrophobicContact CG1-CD1 4.05Å; I831-F833 HydrophobicContact CG1-CE1 4.29Å; F833-V835 HydrophobicContact CD2-CG2 4.23Å; F833-V835 HydrophobicContact CE2-CG2 3.96Å; F833-V846 HydrophobicContact CB-CB 4.16Å; F833-V846 HydrophobicContact CB-CG2 4.33Å; F833-V846 HydrophobicContact CD2-CB 3.65Å; F833-V846 HydrophobicContact CD2-CG1 3.53Å; F833-V846 HydrophobicContact CD2-CG2 4.27Å; F833-V846 HydrophobicContact CE2-CB 4.36Å; F833-V846 HydrophobicContact CE2-CG1 3.74Å; F833-V846 HydrophobicContact CG-CB 4.11Å; F833-V846 HydrophobicContact CG-CG1 4.38Å; F833-V846 HydrophobicContact CG-CG2 4.32Å; F833-R847 CarbonylContact C-O 3.48Å; F833-R847 VanDerWaalsContact CA-O 3.23Å; F833-R847 WeakPolarHBondContact CA-O 3.35Å; F833-R847 WeakPolarHBondContact CB-O 3.39Å; F833-L848 HydrophobicContact CB-CD2 4.16Å; F833-L950 HydrophobicContact CD1-CD2 4.3Å; F833-L950 HydrophobicContact CD2-CD2 4.26Å; F833-L950 HydrophobicContact CE1-CD2 3.7Å; F833-L950 HydrophobicContact CE2-CD2 3.64Å; F833-L950 HydrophobicContact CZ-CD2 3.32Å; F833-F988 WeakPolarHBondContact CD1-O 3.43Å; F833-F988 HydrophobicContact CD2-CB 4.03Å; F833-F988 HydrophobicContact CE1-CB 4.36Å; F833-F988 HydrophobicContact CE2-CB 3.55Å; F833-F988 HydrophobicContact CE2-CG 4.46Å; F833-F988 HydrophobicContact CZ-CB 3.75Å; F833-F988 PolarHBondContact N-O 2.94Å; F833-F988 PolarHBondContact O-N 3.17Å; F833-A990 HydrophobicContact CE1-CB 3.79Å; F833-A990 HydrophobicContact CZ-CB 4.35Å; F833-I1005 HydrophobicContact CE2-CG2 4.35Å; F833-I1005 HydrophobicContact CZ-CB 4.5Å; F833-I1005 HydrophobicContact CZ-CD1 4.13Å; F833-I1005 HydrophobicContact CZ-CG1 4.09Å; F833-I1005 HydrophobicContact CZ-CG2 3.75Å
834L92.4Very high93.2Very high18 Ų1837.7 Ų37.79%0.09420%0.197CC..EExtended strand (participates in β ladder)trans-107.2131.1170.8-17660000108.5L836 V846 R847 S849 P862 R986L834-L836 PolarHBondContact O-N 3.03Å; L834-V846 CarbonylContact O-C 3.58Å; L834-V846 WeakPolarHBondContact O-CA 3.21Å; L834-R847 PolarHBondContact N-O 3.23Å; L834-R847 PolarHBondContact O-N 2.93Å; L834-S849 PolarHBondContact N-OG 2.84Å; L834-P862 HydrophobicContact CD2-CB 3.65Å; L834-P862 HydrophobicContact CD2-CG 3.52Å; L834-P862 HydrophobicContact CG-CG 4.47Å; L834-R986 WeakPolarHBondContact CD1-O 3.29Å
835V92.1Very high93.4Very high28 Ų2835.4 Ų35.417%0.1719%0.186CC..EExtended strand (participates in β ladder)trans-77.3120.3175179.20000109.1F833 L844 V846 F977 F988F833-V835 HydrophobicContact CD2-CG2 4.23Å; F833-V835 HydrophobicContact CE2-CG2 3.96Å; V835-L844 HydrophobicContact CG2-CD1 4.1Å; V835-V846 HydrophobicContact CG2-CG1 4.35Å; V835-F977 HydrophobicContact CG2-CD1 3.98Å; V835-F977 HydrophobicContact CG2-CE1 3.78Å; V835-F977 HydrophobicContact CG2-CZ 4.3Å; V835-F988 HydrophobicContact CG2-CD2 3.84Å; V835-F988 HydrophobicContact CG2-CE2 4.21Å; V835-F988 HydrophobicContact CG2-CG 4.32Å
836L90.6Very high93.4Very high25 Ų2535.1 Ų35.113%0.13119%0.185CC..EExtended strand (participates in β ladder)trans-88-51.8176.1-56.9175.4000110.3L834 A845 R847 F861 D920 T921 A947L834-L836 PolarHBondContact O-N 3.03Å; L836-A845 HydrophobicContact CB-CB 4.48Å; L836-A845 WeakPolarHBondContact CB-O 3.48Å; L836-A845 PolarHBondContact N-O 3.27Å; L836-R847 HydrophobicContact CD1-CB 3.97Å; L836-R847 HydrophobicContact CD2-CB 4.14Å; L836-R847 HydrophobicContact CG-CB 4.11Å; L836-F861 HydrophobicContact CD2-CZ 4.12Å; L836-D920 WeakPolarHBondContact CD1-O 3.39Å; L836-T921 WeakPolarHBondContact CB-O 3.09Å; L836-A947 HydrophobicContact CD1-CB 3.87Å
837V90.9Very high93.5Very high40 Ų4034.3 Ų34.324%0.24218%0.179CC..EExtended strand (participates in β ladder)trans-138.6142.2-179.1-166.20000110.6Y839 L844 A845 T921V837-Y839 HydrophobicContact CB-CD1 4.36Å; V837-Y839 HydrophobicContact CB-CE1 3.67Å; V837-Y839 HydrophobicContact CG1-CD1 3.77Å; V837-Y839 HydrophobicContact CG1-CE1 3.38Å; V837-Y839 HydrophobicContact CG2-CE1 4.46Å; V837-L844 CarbonylContact O-C 3.54Å; V837-L844 WeakPolarHBondContact O-CA 3.37Å; V837-A845 HydrophobicContact CB-CB 4.27Å; V837-A845 PolarHBondContact N-O 3.19Å; V837-A845 VanDerWaalsContact N-O 3.15Å; V837-A845 PolarHBondContact O-N 3.37Å; V837-T921 WeakPolarHBondContact CG2-O 3.46Å
838C92.7Very high93.7Very high8 Ų829.4 Ų29.45%0.05416%0.158CC..EExtended strand (participates in β ladder)trans-108.798.7174.7170.50000109.3L844 R969 R973 F977C838-L844 HydrophobicContact CB-CD2 3.91Å; C838-R969 WeakPolarHBondContact O-CG 3.42Å; C838-R973 HydrophobicContact CB-CB 4.44Å; C838-F977 HydrophobicContact CB-CD2 4.17Å; C838-F977 HydrophobicContact CB-CE2 4.09Å
839Y91.7Very high93.8Very high44 Ų4424.3 Ų24.317%0.17313%0.133CC..EExtended strand (participates in β ladder)trans-76.5-37.2-180-52.4-51.1000112.2V837 A843 A845 S922 T923 E924 R969V837-Y839 HydrophobicContact CB-CD1 4.36Å; V837-Y839 HydrophobicContact CB-CE1 3.67Å; V837-Y839 HydrophobicContact CG1-CD1 3.77Å; V837-Y839 HydrophobicContact CG1-CE1 3.38Å; V837-Y839 HydrophobicContact CG2-CE1 4.46Å; Y839-A843 WeakPolarHBondContact CB-O 3.49Å; Y839-A843 PolarHBondContact N-O 3.11Å; Y839-A845 HydrophobicContact CE2-CB 3.73Å; Y839-A845 VanDerWaalsContact CE2-N 3.32Å; Y839-A845 WeakPolarHBondContact OH-CB 2.99Å; Y839-S922 PolarHBondContact OH-OG 2.92Å; Y839-T923 PolarHBondContact OH-N 3.44Å; Y839-T923 PolarHBondContact OH-OG1 3.13Å; Y839-E924 HydrophobicContact CD1-CG 4.09Å; Y839-E924 WeakPolarHBondContact CD1-OE1 3.48Å; Y839-E924 HydrophobicContact CE1-CG 3.46Å; Y839-E924 VanDerWaalsContact CE1-CG 3.46Å; Y839-E924 WeakPolarHBondContact CE1-OE1 3.42Å; Y839-E924 WeakPolarHBondContact CE1-OE2 3.46Å; Y839-R969 WeakPolarHBondContact O-CD 3.41Å
840S92.8Very high93.6Very high15 Ų1527.4 Ų27.411%0.10514%0.142CC..EExtended strand (participates in β ladder)trans-157.9170.2174.976.30000110.3A842 A843 W964S840-A842 PolarHBondContact O-N 3.17Å; S840-A842 PolarHBondContact OG-N 3.48Å; S840-A843 PolarHBondContact N-O 2.94Å; S840-A843 PolarHBondContact O-N 2.79Å; S840-A843 VanDerWaalsContact O-O 3.12Å; S840-A843 PolarHBondContact OG-N 3.01Å; S840-A843 VanDerWaalsContact OG-N 3.13Å; S840-W964 VanDerWaalsContact CB-CD1 3.49Å
841P93.5Very high93.4Very high1 Ų126 Ų261%0.00613%0.132CC..THydrogen-bonded Turntrans-52.3-16.6169.2-3038.6000115.9W964 A968 V972 V1017P841-W964 HydrophobicContact CB-CD2 4.2Å; P841-W964 HydrophobicContact CB-CE3 4.06Å; P841-W964 HydrophobicContact CB-CH2 3.98Å; P841-W964 HydrophobicContact CB-CZ2 4.16Å; P841-W964 HydrophobicContact CB-CZ3 3.94Å; P841-W964 HydrophobicContact CG-CD2 3.89Å; P841-W964 HydrophobicContact CG-CE3 3.61Å; P841-W964 HydrophobicContact CG-CG 4.42Å; P841-W964 HydrophobicContact CG-CH2 4.43Å; P841-W964 HydrophobicContact CG-CZ3 3.91Å; P841-A968 HydrophobicContact CG-CB 3.79Å; P841-V972 HydrophobicContact CB-CG2 4.1Å; P841-V972 HydrophobicContact CG-CG2 4.04Å; P841-V1017 HydrophobicContact CB-CG1 3.93Å; P841-V1017 HydrophobicContact CB-CG2 3.78Å
842A94.4Very high93.2Very high9 Ų926.8 Ų26.87%0.07414%0.135CC..THydrogen-bonded Turntrans-120-0.4-177.900000114.8S840 R951 I952 L955 W964S840-A842 PolarHBondContact O-N 3.17Å; S840-A842 PolarHBondContact OG-N 3.48Å; A842-R951 VanDerWaalsContact O-CA 3.26Å; A842-R951 WeakPolarHBondContact O-CA 3.43Å; A842-I952 PolarHBondContact O-N 3.3Å; A842-L955 HydrophobicContact CB-CB 3.99Å; A842-L955 HydrophobicContact CB-CD2 3.92Å; A842-L955 HydrophobicContact CB-CG 3.93Å; A842-L955 VanDerWaalsContact CB-O 3.28Å; A842-L955 WeakPolarHBondContact CB-O 3.21Å; A842-W964 HydrophobicContact CB-CZ2 4.11Å
843A94.9Very high93Very high15 Ų1524 Ų2412%0.12413%0.133CC..EExtended strand (participates in β ladder)trans-148.9130.5-175.900000112.3Y839 S840 L950 R951Y839-A843 WeakPolarHBondContact CB-O 3.49Å; Y839-A843 PolarHBondContact N-O 3.11Å; S840-A843 PolarHBondContact N-O 2.94Å; S840-A843 PolarHBondContact O-N 2.79Å; S840-A843 VanDerWaalsContact O-O 3.12Å; S840-A843 PolarHBondContact OG-N 3.01Å; S840-A843 VanDerWaalsContact OG-N 3.13Å; A843-L950 WeakPolarHBondContact CA-O 3.19Å; A843-R951 HydrophobicContact CB-CG 4.04Å
844L95.6Very high92.8Very high2 Ų226.1 Ų26.11%0.0115%0.146CC..EExtended strand (participates in β ladder)trans-137.1152.3-172.2-48.2174.4000110.3V835 V837 C838 V846 L950 F977 I1005V835-L844 HydrophobicContact CG2-CD1 4.1Å; V837-L844 CarbonylContact O-C 3.54Å; V837-L844 WeakPolarHBondContact O-CA 3.37Å; C838-L844 HydrophobicContact CB-CD2 3.91Å; L844-V846 HydrophobicContact CB-CG1 3.86Å; L844-V846 HydrophobicContact CD1-CG1 4.26Å; L844-L950 PolarHBondContact N-O 3.4Å; L844-L950 PolarHBondContact O-N 2.69Å; L844-F977 HydrophobicContact CD1-CE1 4.29Å; L844-F977 HydrophobicContact CD1-CE2 4.36Å; L844-F977 HydrophobicContact CD1-CZ 3.62Å; L844-F977 HydrophobicContact CD2-CE2 3.61Å; L844-F977 HydrophobicContact CD2-CZ 3.71Å; L844-F977 HydrophobicContact CG-CZ 4.35Å; L844-I1005 HydrophobicContact CD1-CD1 3.49Å; L844-I1005 VanDerWaalsContact CD1-CD1 3.49Å
845A95.3Very high92.6Very high0 Ų027.6 Ų27.60%016%0.161CC..EExtended strand (participates in β ladder)trans-92.7129.8153.400000109.3L836 V837 Y839 T923 M948L836-A845 HydrophobicContact CB-CB 4.48Å; L836-A845 WeakPolarHBondContact CB-O 3.48Å; L836-A845 PolarHBondContact N-O 3.27Å; V837-A845 HydrophobicContact CB-CB 4.27Å; V837-A845 PolarHBondContact N-O 3.19Å; V837-A845 VanDerWaalsContact N-O 3.15Å; V837-A845 PolarHBondContact O-N 3.37Å; Y839-A845 HydrophobicContact CE2-CB 3.73Å; Y839-A845 VanDerWaalsContact CE2-N 3.32Å; Y839-A845 WeakPolarHBondContact OH-CB 2.99Å; A845-T923 HydrophobicContact CB-CG2 4.34Å; A845-M948 WeakPolarHBondContact CA-O 3.48Å
846V95.3Very high92.4Very high0 Ų029.5 Ų29.50%017%0.17CC..EExtended strand (participates in β ladder)trans-130.6161.7-177.9-53.90000110.8F833 L834 V835 L844 M948 L950F833-V846 HydrophobicContact CB-CB 4.16Å; F833-V846 HydrophobicContact CB-CG2 4.33Å; F833-V846 HydrophobicContact CD2-CB 3.65Å; F833-V846 HydrophobicContact CD2-CG1 3.53Å; F833-V846 HydrophobicContact CD2-CG2 4.27Å; F833-V846 HydrophobicContact CE2-CB 4.36Å; F833-V846 HydrophobicContact CE2-CG1 3.74Å; F833-V846 HydrophobicContact CG-CB 4.11Å; F833-V846 HydrophobicContact CG-CG1 4.38Å; F833-V846 HydrophobicContact CG-CG2 4.32Å; L834-V846 CarbonylContact O-C 3.58Å; L834-V846 WeakPolarHBondContact O-CA 3.21Å; V835-V846 HydrophobicContact CG2-CG1 4.35Å; L844-V846 HydrophobicContact CB-CG1 3.86Å; L844-V846 HydrophobicContact CD1-CG1 4.26Å; V846-M948 HydrophobicContact CG2-CB 4.36Å; V846-M948 PolarHBondContact N-O 2.82Å; V846-M948 PolarHBondContact O-N 3.47Å; V846-L950 HydrophobicContact CB-CB 4.45Å; V846-L950 HydrophobicContact CG1-CB 3.86Å; V846-L950 HydrophobicContact CG1-CD2 3.82Å; V846-L950 HydrophobicContact CG1-CG 4.49Å; V846-L950 HydrophobicContact CG2-CB 3.71Å; V846-L950 HydrophobicContact CG2-CD2 4.13Å; V846-L950 HydrophobicContact CG2-CG 4.44Å
847R94.6Very high92.2Very high3 Ų332.1 Ų32.11%0.01118%0.178CC..EExtended strand (participates in β ladder)trans-129125.5173.3-179.2166.768.712310.4110.6F833 L834 L836 S849 F852 P853 T854 S864 E946F833-R847 CarbonylContact C-O 3.48Å; F833-R847 VanDerWaalsContact CA-O 3.23Å; F833-R847 WeakPolarHBondContact CA-O 3.35Å; F833-R847 WeakPolarHBondContact CB-O 3.39Å; L834-R847 PolarHBondContact N-O 3.23Å; L834-R847 PolarHBondContact O-N 2.93Å; L836-R847 HydrophobicContact CD1-CB 3.97Å; L836-R847 HydrophobicContact CD2-CB 4.14Å; L836-R847 HydrophobicContact CG-CB 4.11Å; R847-S849 PolarHBondContact O-N 3.09Å; R847-F852 HydrophobicContact CG-CB 3.7Å; R847-F852 HydrophobicContact CG-CD2 4.44Å; R847-F852 HydrophobicContact CG-CG 4.48Å; R847-F852 PolarHBondContact NH1-O 3.44Å; R847-P853 PolarHBondContact NH1-O 3.15Å; R847-P853 PolarHBondContact NH2-O 2.84Å; R847-T854 PolarHBondContact NH2-OG1 3.5Å; R847-S864 VanDerWaalsContact NH1-N 3.13Å; R847-E946 WeakPolarHBondContact CD-OE2 3.33Å; R847-E946 HydrophobicContact CG-CB 4.18Å; R847-E946 IonicContact CZ-OE2 2.76Å; R847-E946 IonicContact NE-OE2 2.72Å; R847-E946 IonicContact NH1-OE2 3.69Å; R847-E946 PolarHBondContact NH1-OE2 2.86Å
848L94.8Very high91.8Very high6 Ų633.2 Ų33.23%0.03118%0.18CC..EExtended strand (participates in β ladder)trans-68.8114.6-176.9-57.3-176.2000110.2P826 I831 R832 F833 D850 Q851 F852 M948P826-L848 HydrophobicContact CG-CD1 3.8Å; I831-L848 HydrophobicContact CB-CD2 4.2Å; I831-L848 HydrophobicContact CD1-CD2 4.07Å; I831-L848 HydrophobicContact CG2-CD2 4.5Å; R832-L848 WeakPolarHBondContact O-CA 3.48Å; F833-L848 HydrophobicContact CB-CD2 4.16Å; L848-D850 VanDerWaalsContact C-N 3.25Å; L848-D850 PolarHBondContact O-N 2.7Å; L848-Q851 HydrophobicContact CB-CB 4.28Å; L848-Q851 HydrophobicContact CB-CG 4.4Å; L848-Q851 HydrophobicContact CD1-CG 4.49Å; L848-Q851 PolarHBondContact O-N 3.02Å; L848-F852 PolarHBondContact O-N 3.47Å; 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 4.35Å; L848-M948 HydrophobicContact CG-CE 4.19Å; L848-M948 HydrophobicContact CG-SD 3.71Å
849S91.6Very high91.3Very high19 Ų1938 Ų3813%0.13320%0.204CC..THydrogen-bonded Turntrans-72.2-21.3-172.3-61.30000113.3R832 L834 R847R832-S849 PolarHBondContact O-N 3.32Å; L834-S849 PolarHBondContact N-OG 2.84Å; R847-S849 PolarHBondContact O-N 3.09Å
850D90.3Very high90.8Very high94 Ų9442.7 Ų42.750%0.50323%0.232SC..THydrogen-bonded Turntrans-81.7-18.8176.8-60.2-50000113.5R832 L848R832-D850 WeakPolarHBondContact CB-OD2 3.46Å; R832-D850 IonicContact CZ-OD1 3.56Å; R832-D850 VanDerWaalsContact CZ-OD1 3.25Å; R832-D850 IonicContact CZ-OD2 3.54Å; R832-D850 IonicContact NE-OD1 3.49Å; R832-D850 PolarHBondContact NE-OD1 2.71Å; R832-D850 IonicContact NE-OD2 2.7Å; R832-D850 PolarHBondContact NE-OD2 3.05Å; R832-D850 VanDerWaalsContact NE-OD2 3.1Å; R832-D850 IonicContact NH2-OD1 2.71Å; R832-D850 PolarHBondContact NH2-OD1 3.49Å; R832-D850 IonicContact NH2-OD2 3.47Å; L848-D850 VanDerWaalsContact C-N 3.25Å; L848-D850 PolarHBondContact O-N 2.7Å
851Q90.9Very high90.3Very high86 Ų8643.6 Ų43.640%0.40223%0.234SC..THydrogen-bonded Turntrans-105.6-40.8176.8-65.7-177.1-1.500112H824 L848 P853H824-Q851 PolarHBondContact O-NE2 2.69Å; H824-Q851 PolarHBondContact O-OE1 2.68Å; L848-Q851 HydrophobicContact CB-CB 4.28Å; L848-Q851 HydrophobicContact CB-CG 4.4Å; L848-Q851 HydrophobicContact CD1-CG 4.49Å; L848-Q851 PolarHBondContact O-N 3.02Å; Q851-P853 WeakPolarHBondContact O-CD 3.47Å
852F92.5Very high89.9Confident26 Ų2644.2 Ų44.211%0.11424%0.238CC..SBendtrans-127.277.7-172.4-52.3-67000109.4R847 L848 P944 E946 M948R847-F852 HydrophobicContact CG-CB 3.7Å; R847-F852 HydrophobicContact CG-CD2 4.44Å; R847-F852 HydrophobicContact CG-CG 4.48Å; R847-F852 PolarHBondContact NH1-O 3.44Å; L848-F852 PolarHBondContact O-N 3.47Å; F852-P944 HydrophobicContact CE1-CG 3.95Å; F852-P944 HydrophobicContact CZ-CB 4.5Å; F852-P944 HydrophobicContact CZ-CG 3.99Å; F852-E946 HydrophobicContact CB-CB 4.5Å; F852-E946 HydrophobicContact CB-CG 4.2Å; F852-E946 HydrophobicContact CD1-CG 3.73Å; F852-E946 HydrophobicContact CD2-CB 4.46Å; F852-E946 HydrophobicContact CD2-CG 4.41Å; F852-E946 HydrophobicContact CE1-CG 4.21Å; F852-E946 HydrophobicContact CG-CB 4.26Å; F852-E946 HydrophobicContact CG-CG 3.84Å; F852-M948 HydrophobicContact CE2-CE 4.02Å
853P91.3Very high89.6Confident65 Ų6544.6 Ų44.642%0.42224%0.238SC..  trans-62.5168.4-178.425.5-34.3000112.6R847 Q851 S864R847-P853 PolarHBondContact NH1-O 3.15Å; R847-P853 PolarHBondContact NH2-O 2.84Å; Q851-P853 WeakPolarHBondContact O-CD 3.47Å; P853-S864 WeakPolarHBondContact O-CA 3.26Å
854T89.9Confident89.5Confident45 Ų4544 Ų4428%0.27623%0.233SC..  trans-92107.5171.3-56.30000109.2R847 R857 P862 M863R847-T854 PolarHBondContact NH2-OG1 3.5Å; T854-R857 HydrophobicContact CG2-CG 4.43Å; T854-P862 HydrophobicContact CG2-CB 3.66Å; T854-M863 CarbonylContact C-O 3.53Å; T854-M863 WeakPolarHBondContact CA-O 3.41Å
855A89.3Confident89.4Confident49 Ų4948.2 Ų48.241%0.40526%0.256SS..  trans-78.4-47.9175.600000111.1M863 D865A855-M863 PolarHBondContact N-O 3.05Å; A855-D865 WeakPolarHBondContact CB-OD1 3.44Å
856I88.6Confident89.3Confident67 Ų6748.8 Ų48.834%0.34426%0.259SS..EExtended strand (participates in β ladder)trans-141.8162.3-176.2-165.9161.2000112M863 E868I856-M863 HydrophobicContact CG2-CB 4.21Å; I856-M863 HydrophobicContact CG2-CE 3.78Å; I856-M863 PolarHBondContact N-O 2.98Å; I856-M863 PolarHBondContact O-N 2.73Å; I856-E868 WeakPolarHBondContact CD1-OE1 3.11Å; I856-E868 HydrophobicContact CG2-CB 4Å; I856-E868 HydrophobicContact CG2-CG 4.27Å
857R84.9Confident89.2Confident81 Ų8149.4 Ų49.431%0.30627%0.265SS..EExtended strand (participates in β ladder)trans-115.1111.2167.7-74.1-177.3170.9-80.5-7.7110.8T854 N860 F861 R984 N985T854-R857 HydrophobicContact CG2-CG 4.43Å; R857-N860 PolarHBondContact NH1-O 3.19Å; R857-F861 CarbonylContact C-O 3.57Å; R857-F861 VanDerWaalsContact CA-O 3.25Å; R857-F861 WeakPolarHBondContact CA-O 3.29Å; R857-R984 VanDerWaalsContact CZ-O 3.26Å; R857-R984 PolarHBondContact NH2-O 3.49Å; R857-N985 PolarHBondContact NE-OD1 2.88Å; R857-N985 PolarHBondContact NH2-OD1 3.32Å
858F83.6Confident89.2Confident63 Ų6350.8 Ų50.828%0.27627%0.272SS..EExtended strand (participates in β ladder)trans-106.9125.3178.2178.9-97.3000109.5N860 F861 M863 Q871 R899F858-N860 PolarHBondContact O-N 3.28Å; F858-F861 PolarHBondContact N-O 2.85Å; F858-F861 WeakPolarHBondContact O-CA 3.44Å; F858-F861 WeakPolarHBondContact O-CB 3.1Å; F858-F861 PolarHBondContact O-N 3.41Å; F858-M863 HydrophobicContact CB-CE 3.56Å; F858-M863 HydrophobicContact CB-SD 3.96Å; F858-M863 HydrophobicContact CG-CE 4.22Å; F858-Q871 HydrophobicContact CE1-CG 4.49Å; F858-Q871 HydrophobicContact CE2-CG 4.5Å; F858-Q871 HydrophobicContact CZ-CG 4.36Å; F858-R899 HydrophobicContact CD1-CG 3.97Å; F858-R899 HydrophobicContact CE1-CG 4.06Å
859L82.2Confident89.2Confident109 Ų10956.3 Ų56.357%0.57129%0.292SS*.THydrogen-bonded Turntrans48.842.6-171.4-55.6177.8000112.4F861 N898L859-F861 PolarHBondContact O-N 2.69Å; L859-F861 VanDerWaalsContact O-N 3.08Å; L859-N898 HydrophobicContact CD1-CB 3.98Å
860N79.6Confident89.3Confident141 Ų14155.5 Ų55.575%0.75429%0.287SS*.THydrogen-bonded Turntrans64.2-10.7-170.3-61.9-70.1000116.8R857 F858R857-N860 PolarHBondContact NH1-O 3.19Å; F858-N860 PolarHBondContact O-N 3.28Å
861F82.4Confident89.5Confident35 Ų3551.5 Ų51.515%0.15427%0.265CS..EExtended strand (participates in β ladder)trans-75.7133.1178.7-168.2-87.6000111.8L836 R857 F858 L859 M863 T921L836-F861 HydrophobicContact CD2-CZ 4.12Å; R857-F861 CarbonylContact C-O 3.57Å; R857-F861 VanDerWaalsContact CA-O 3.25Å; R857-F861 WeakPolarHBondContact CA-O 3.29Å; F858-F861 PolarHBondContact N-O 2.85Å; F858-F861 WeakPolarHBondContact O-CA 3.44Å; F858-F861 WeakPolarHBondContact O-CB 3.1Å; F858-F861 PolarHBondContact O-N 3.41Å; L859-F861 PolarHBondContact O-N 2.69Å; L859-F861 VanDerWaalsContact O-N 3.08Å; F861-M863 HydrophobicContact CD1-CG 4.13Å; F861-T921 HydrophobicContact CD1-CG2 4.47Å; F861-T921 HydrophobicContact CE1-CG2 3.51Å; F861-T921 HydrophobicContact CZ-CG2 3.7Å
862P86.1Confident89.7Confident14 Ų1455.2 Ų55.29%0.09128%0.275CS..EExtended strand (participates in β ladder)trans-80124.5-17931.4-31.8000112.3L834 T854L834-P862 HydrophobicContact CD2-CB 3.65Å; L834-P862 HydrophobicContact CD2-CG 3.52Å; L834-P862 HydrophobicContact CG-CG 4.47Å; T854-P862 HydrophobicContact CG2-CB 3.66Å
863M88.9Confident89.8Confident16 Ų1656.1 Ų56.18%0.07928%0.28CS..EExtended strand (participates in β ladder)trans-118.5157.7178.8-53.1-165.4-49.200111.6T854 A855 I856 F858 F861 E868 Q871T854-M863 CarbonylContact C-O 3.53Å; T854-M863 WeakPolarHBondContact CA-O 3.41Å; A855-M863 PolarHBondContact N-O 3.05Å; I856-M863 HydrophobicContact CG2-CB 4.21Å; I856-M863 HydrophobicContact CG2-CE 3.78Å; I856-M863 PolarHBondContact N-O 2.98Å; I856-M863 PolarHBondContact O-N 2.73Å; F858-M863 HydrophobicContact CB-CE 3.56Å; F858-M863 HydrophobicContact CB-SD 3.96Å; F858-M863 HydrophobicContact CG-CE 4.22Å; F861-M863 HydrophobicContact CD1-CG 4.13Å; M863-E868 HydrophobicContact CE-CB 4.31Å; M863-Q871 HydrophobicContact CE-CB 4.25Å
864S92.7Very high90Very high3 Ų353 Ų532%0.02126%0.26CS..  trans-85.8178.9166.554.40000111.9R847 P853 L866 G867 E868 E946R847-S864 VanDerWaalsContact NH1-N 3.13Å; P853-S864 WeakPolarHBondContact O-CA 3.26Å; S864-L866 PolarHBondContact O-N 2.89Å; S864-L866 PolarHBondContact OG-N 3.28Å; S864-L866 VanDerWaalsContact OG-N 3.11Å; S864-G867 PolarHBondContact O-N 3.01Å; S864-G867 PolarHBondContact OG-N 3.45Å; S864-E868 VanDerWaalsContact O-CB 3.31Å; S864-E868 WeakPolarHBondContact O-CB 3.21Å; S864-E868 PolarHBondContact O-N 3.4Å; S864-E946 WeakPolarHBondContact CB-OE1 3.4Å; S864-E946 WeakPolarHBondContact CB-OE2 3.42Å; S864-E946 PolarHBondContact OG-OE1 2.74Å; S864-E946 PolarHBondContact OG-OE2 2.79Å
865D93.1Very high90.2Very high91 Ų9154.4 Ų54.449%0.48726%0.263SS..Hα-helixtrans-58.4-24.5163-44.1-80000112.9A855 R869A855-D865 WeakPolarHBondContact CB-OD1 3.44Å; D865-R869 WeakPolarHBondContact O-CB 3.32Å; D865-R869 WeakPolarHBondContact O-CG 3.4Å; D865-R869 PolarHBondContact O-N 2.96Å; D865-R869 PolarHBondContact O-NE 3.49Å
866L93.4Very high90.5Very high11 Ų1157.2 Ų57.26%0.05827%0.271CS..Hα-helixtrans-78.8-51.8173.4178.162.7000111S864 E868 R869 V870 F940 S943 E946S864-L866 PolarHBondContact O-N 2.89Å; S864-L866 PolarHBondContact OG-N 3.28Å; S864-L866 VanDerWaalsContact OG-N 3.11Å; L866-E868 VanDerWaalsContact C-N 3.25Å; L866-E868 PolarHBondContact O-N 2.98Å; L866-R869 PolarHBondContact O-N 3.36Å; L866-R869 VanDerWaalsContact O-N 3.11Å; L866-V870 HydrophobicContact CD1-CG2 4.23Å; L866-V870 WeakPolarHBondContact O-CG2 3.02Å; L866-V870 PolarHBondContact O-N 3.11Å; L866-F940 HydrophobicContact CD1-CD1 3.92Å; L866-S943 VanDerWaalsContact CD2-CB 3.5Å; L866-E946 WeakPolarHBondContact CB-OE1 3.34Å
867G92.6Very high90.7Very high13 Ų1361 Ų6113%0.13429%0.287CS..Hα-helixtrans-58.7-37.9176.700000112.4S864 Q871S864-G867 PolarHBondContact O-N 3.01Å; S864-G867 PolarHBondContact OG-N 3.45Å; G867-Q871 WeakPolarHBondContact O-CB 3.44Å; G867-Q871 PolarHBondContact O-N 3.3Å
868E93.6Very high91.1Very high33 Ų3361.1 Ų61.115%0.15431%0.305CS..Hα-helixtrans-65.7-45.7172177.1161.5-133.100113I856 M863 S864 L866 V870 Q871 R872I856-E868 WeakPolarHBondContact CD1-OE1 3.11Å; I856-E868 HydrophobicContact CG2-CB 4Å; I856-E868 HydrophobicContact CG2-CG 4.27Å; M863-E868 HydrophobicContact CE-CB 4.31Å; S864-E868 VanDerWaalsContact O-CB 3.31Å; S864-E868 WeakPolarHBondContact O-CB 3.21Å; S864-E868 PolarHBondContact O-N 3.4Å; L866-E868 VanDerWaalsContact C-N 3.25Å; L866-E868 PolarHBondContact O-N 2.98Å; E868-V870 VanDerWaalsContact C-N 3.33Å; E868-V870 PolarHBondContact O-N 3.28Å; E868-Q871 PolarHBondContact O-N 3.11Å; E868-R872 VanDerWaalsContact CD-NE 3.31Å; E868-R872 HydrophobicContact CG-CG 4.14Å; E868-R872 VanDerWaalsContact CG-NE 3.31Å; E868-R872 WeakPolarHBondContact O-CB 3.45Å; E868-R872 VanDerWaalsContact O-CG 3.28Å; E868-R872 WeakPolarHBondContact O-CG 3.33Å; E868-R872 PolarHBondContact O-N 3.31Å; E868-R872 IonicContact OE1-CZ 3.48Å; E868-R872 IonicContact OE1-NE 2.62Å; E868-R872 PolarHBondContact OE1-NE 2.86Å; E868-R872 IonicContact OE1-NH2 3.75Å; E868-R872 PolarHBondContact OE1-NH2 3.28Å; E868-R872 IonicContact OE2-CZ 3.37Å; E868-R872 IonicContact OE2-NH2 2.97Å; E868-R872 PolarHBondContact OE2-NH2 2.91Å
869R94.7Very high91.5Very high122 Ų12260 Ų6046%0.4630%0.303SS..Hα-helixtrans-63.2-39.2176.8-76.6178.9-59.1144.95112D865 L866 H873 F940D865-R869 WeakPolarHBondContact O-CB 3.32Å; D865-R869 WeakPolarHBondContact O-CG 3.4Å; D865-R869 PolarHBondContact O-N 2.96Å; D865-R869 PolarHBondContact O-NE 3.49Å; L866-R869 PolarHBondContact O-N 3.36Å; L866-R869 VanDerWaalsContact O-N 3.11Å; R869-H873 WeakPolarHBondContact O-CB 3.14Å; R869-H873 PolarHBondContact O-N 2.88Å; R869-F940 HydrophobicContact CB-CE1 3.87Å; R869-F940 HydrophobicContact CB-CZ 4.26Å
870V94.8Very high92.1Very high2 Ų257.7 Ų57.71%0.01229%0.286CS..Hα-helixtrans-63-50.2174.7173.10000110.3L866 E868 R872 H873 Y874 R902 F940L866-V870 HydrophobicContact CD1-CG2 4.23Å; L866-V870 WeakPolarHBondContact O-CG2 3.02Å; L866-V870 PolarHBondContact O-N 3.11Å; E868-V870 VanDerWaalsContact C-N 3.33Å; E868-V870 PolarHBondContact O-N 3.28Å; V870-R872 PolarHBondContact O-N 2.54Å; V870-H873 PolarHBondContact O-N 2.92Å; V870-Y874 HydrophobicContact CG1-CD2 4.04Å; V870-Y874 HydrophobicContact CG1-CE2 4.38Å; V870-Y874 WeakPolarHBondContact O-CD2 3.39Å; V870-Y874 PolarHBondContact O-N 3.5Å; V870-R902 HydrophobicContact CG1-CG 4.4Å; V870-R902 HydrophobicContact CG2-CG 4.07Å; V870-F940 HydrophobicContact CG2-CB 4.36Å; V870-F940 HydrophobicContact CG2-CD1 3.84Å; V870-F940 HydrophobicContact CG2-CD2 3.91Å; V870-F940 HydrophobicContact CG2-CE1 4.05Å; V870-F940 HydrophobicContact CG2-CE2 4.12Å; V870-F940 HydrophobicContact CG2-CG 3.78Å; V870-F940 HydrophobicContact CG2-CZ 4.19Å
871Q94.9Very high92.7Very high10 Ų1056.5 Ų56.55%0.04728%0.276CS..Hα-helixtrans-56.5-54.4176.4-172.374.931.200111.4F858 M863 G867 E868 H873 Y874 E875 N898F858-Q871 HydrophobicContact CE1-CG 4.49Å; F858-Q871 HydrophobicContact CE2-CG 4.5Å; F858-Q871 HydrophobicContact CZ-CG 4.36Å; M863-Q871 HydrophobicContact CE-CB 4.25Å; G867-Q871 WeakPolarHBondContact O-CB 3.44Å; G867-Q871 PolarHBondContact O-N 3.3Å; E868-Q871 PolarHBondContact O-N 3.11Å; Q871-H873 PolarHBondContact O-N 3.29Å; Q871-Y874 PolarHBondContact O-N 3.18Å; Q871-E875 PolarHBondContact NE2-OE2 2.76Å; Q871-E875 WeakPolarHBondContact O-CB 3.29Å; Q871-E875 PolarHBondContact O-N 2.88Å; Q871-N898 PolarHBondContact NE2-O 2.71Å
872R93.9Very high93.2Very high164 Ų16460.2 Ų60.262%0.61930%0.295SS*.Hα-helixtrans-59.9-33-178.5-70.9178-177.8-162.97.8112.5E868 V870E868-R872 VanDerWaalsContact CD-NE 3.31Å; E868-R872 HydrophobicContact CG-CG 4.14Å; E868-R872 VanDerWaalsContact CG-NE 3.31Å; E868-R872 WeakPolarHBondContact O-CB 3.45Å; E868-R872 VanDerWaalsContact O-CG 3.28Å; E868-R872 WeakPolarHBondContact O-CG 3.33Å; E868-R872 PolarHBondContact O-N 3.31Å; E868-R872 IonicContact OE1-CZ 3.48Å; E868-R872 IonicContact OE1-NE 2.62Å; E868-R872 PolarHBondContact OE1-NE 2.86Å; E868-R872 IonicContact OE1-NH2 3.75Å; E868-R872 PolarHBondContact OE1-NH2 3.28Å; E868-R872 IonicContact OE2-CZ 3.37Å; E868-R872 IonicContact OE2-NH2 2.97Å; E868-R872 PolarHBondContact OE2-NH2 2.91Å; V870-R872 PolarHBondContact O-N 2.54Å
873H95.4Very high93.4Very high44 Ų4459.9 Ų59.920%0.20429%0.292CS..Hα-helixtrans-72.9-51.9178.4-175.887.9000112.1R869 V870 Q871 L876 N879 F940R869-H873 WeakPolarHBondContact O-CB 3.14Å; R869-H873 PolarHBondContact O-N 2.88Å; V870-H873 PolarHBondContact O-N 2.92Å; Q871-H873 PolarHBondContact O-N 3.29Å; H873-L876 PolarHBondContact O-N 2.72Å; H873-N879 WeakPolarHBondContact O-CB 3.26Å; H873-N879 PolarHBondContact O-ND2 3.32Å; H873-F940 HydrophobicContact CB-CE2 3.76Å; H873-F940 HydrophobicContact CB-CZ 3.81Å; H873-F940 AromaticContact CD2-CE2 3.86Å; H873-F940 AromaticContact CG-CE2 3.76Å
874Y95.6Very high93.2Very high0 Ų064.8 Ų64.80%033%0.325CS..Hα-helixtrans-83.3-11.1-174.9-71.5-82.5000114.5V870 Q871 L876 R880 V893 Y900 S935 C936 V937 F940V870-Y874 HydrophobicContact CG1-CD2 4.04Å; V870-Y874 HydrophobicContact CG1-CE2 4.38Å; V870-Y874 WeakPolarHBondContact O-CD2 3.39Å; V870-Y874 PolarHBondContact O-N 3.5Å; Q871-Y874 PolarHBondContact O-N 3.18Å; Y874-L876 PolarHBondContact O-N 2.76Å; Y874-R880 VanDerWaalsContact O-CG 3.3Å; Y874-R880 WeakPolarHBondContact O-CG 3.48Å; Y874-R880 PolarHBondContact O-NE 2.76Å; Y874-V893 HydrophobicContact CD1-CG1 4.46Å; Y874-V893 HydrophobicContact CD2-CG1 4.01Å; Y874-V893 HydrophobicContact CD2-CG2 4.41Å; Y874-V893 HydrophobicContact CE1-CB 4.46Å; Y874-V893 HydrophobicContact CE2-CB 4.25Å; Y874-V893 HydrophobicContact CE2-CG1 4.14Å; Y874-V893 HydrophobicContact CE2-CG2 3.73Å; Y874-V893 HydrophobicContact CG-CG1 4.19Å; Y874-Y900 VanDerWaalsContact CB-CD1 3.46Å; Y874-Y900 VanDerWaalsContact CB-CG 3.44Å; Y874-Y900 HydrophobicContact CG-CD1 4.29Å; Y874-Y900 HydrophobicContact CG-CG 4.45Å; Y874-Y900 VanDerWaalsContact O-CZ 3.31Å; Y874-Y900 PolarHBondContact O-OH 3.09Å; Y874-S935 PolarHBondContact OH-O 3.49Å; Y874-C936 WeakPolarHBondContact OH-CA 3.47Å; Y874-V937 PolarHBondContact OH-N 2.84Å; Y874-V937 VanDerWaalsContact OH-N 3.15Å; Y874-F940 HydrophobicContact CD2-CE2 4.45Å; Y874-F940 AromaticContact CE2-CD2 3.89Å; Y874-F940 HydrophobicContact CE2-CD2 3.89Å; Y874-F940 AromaticContact CE2-CE2 3.87Å; Y874-F940 HydrophobicContact CE2-CE2 3.87Å
875E94.1Very high93Very high75 Ų7570.2 Ų70.235%0.3535%0.354SS..THydrogen-bonded Turntrans-64.2-27.6167.3-151.270.6-107.400111.7Q871 E877 R880 K895Q871-E875 PolarHBondContact NE2-OE2 2.76Å; Q871-E875 WeakPolarHBondContact O-CB 3.29Å; Q871-E875 PolarHBondContact O-N 2.88Å; E875-E877 PolarHBondContact O-N 2.93Å; E875-R880 PolarHBondContact O-NH2 2.89Å; E875-R880 IonicContact OE1-NH2 2.72Å; E875-K895 IonicContact OE1-NZ 3.82Å; E875-K895 PolarHBondContact OE1-NZ 3.22Å
876L95.1Very high92.8Very high108 Ų10866.4 Ų66.457%0.56533%0.334SS*.SBendtrans-74.4119.2171.6-60.9175.5000110.5H873 Y874 A878 N879H873-L876 PolarHBondContact O-N 2.72Å; Y874-L876 PolarHBondContact O-N 2.76Å; L876-A878 VanDerWaalsContact C-N 3.26Å; L876-A878 PolarHBondContact O-N 3.07Å; L876-N879 PolarHBondContact O-N 3.07Å
877E92.1Very high92.6Very high145 Ų14569.2 Ų69.268%0.67835%0.352SS*.G310 helixtrans-61.4-34.9-172.5-44.6-142.3119.200112.8E875 N879 R880E875-E877 PolarHBondContact O-N 2.93Å; E877-N879 PolarHBondContact O-N 2.88Å; E877-N879 VanDerWaalsContact O-N 3.09Å; E877-R880 WeakPolarHBondContact O-CB 3.45Å; E877-R880 PolarHBondContact O-N 2.86Å; E877-R880 IonicContact OE1-CZ 3.12Å; E877-R880 IonicContact OE1-NH1 3.25Å; E877-R880 PolarHBondContact OE1-NH1 3.22Å; E877-R880 IonicContact OE1-NH2 3.1Å; E877-R880 PolarHBondContact OE1-NH2 2.93Å
878A93.8Very high92.4Very high85 Ų8571.9 Ų71.970%0.70237%0.366SS*.G310 helixtrans-61.6-14.9176.600000114.5L876 H881L876-A878 VanDerWaalsContact C-N 3.26Å; L876-A878 PolarHBondContact O-N 3.07Å; A878-H881 PolarHBondContact O-CE1 2.92Å
879N93.1Very high92Very high40 Ų4072.5 Ų72.521%0.21438%0.382CS..G310 helixtrans-95.5-11.5175.9-65.9-27.2000113.1H873 L876 E877 H881H873-N879 WeakPolarHBondContact O-CB 3.26Å; H873-N879 PolarHBondContact O-ND2 3.32Å; L876-N879 PolarHBondContact O-N 3.07Å; E877-N879 PolarHBondContact O-N 2.88Å; E877-N879 VanDerWaalsContact O-N 3.09Å; N879-H881 PolarHBondContact O-N 3.33Å; N879-H881 PolarHBondContact O-ND1 3.39Å
880R93.4Very high91.8Very high59 Ų5969.8 Ų69.822%0.22337%0.374CS..  trans-80.453.7-172.2-58.5-178.2-165.5155.76113.1Y874 E875 E877 M882 Y900 Y934Y874-R880 VanDerWaalsContact O-CG 3.3Å; Y874-R880 WeakPolarHBondContact O-CG 3.48Å; Y874-R880 PolarHBondContact O-NE 2.76Å; E875-R880 PolarHBondContact O-NH2 2.89Å; E875-R880 IonicContact OE1-NH2 2.72Å; E877-R880 WeakPolarHBondContact O-CB 3.45Å; E877-R880 PolarHBondContact O-N 2.86Å; E877-R880 IonicContact OE1-CZ 3.12Å; E877-R880 IonicContact OE1-NH1 3.25Å; E877-R880 PolarHBondContact OE1-NH1 3.22Å; E877-R880 IonicContact OE1-NH2 3.1Å; E877-R880 PolarHBondContact OE1-NH2 2.93Å; R880-M882 PolarHBondContact O-N 3.24Å; R880-Y900 VanDerWaalsContact CZ-OH 3.27Å; R880-Y900 PolarHBondContact NE-OH 3.29Å; R880-Y934 HydrophobicContact CB-CD1 4.01Å; R880-Y934 HydrophobicContact CB-CE1 3.78Å; R880-Y934 WeakPolarHBondContact O-CD1 3.28Å
881H93.3Very high91.8Very high116 Ų11672.2 Ų72.254%0.53739%0.386SS..PPolyproline II helixtrans-66.5116.9176.4-59.388.1000110.1A878 N879 Y934 S935A878-H881 PolarHBondContact O-CE1 2.92Å; N879-H881 PolarHBondContact O-N 3.33Å; N879-H881 PolarHBondContact O-ND1 3.39Å; H881-Y934 CarbonylContact O-C 3.59Å; H881-Y934 WeakPolarHBondContact O-CA 3.49Å; H881-Y934 WeakPolarHBondContact O-CB 3.31Å; H881-S935 PolarHBondContact O-N 2.79Å
882M92.4Very high91.8Very high114 Ų11471.7 Ų71.756%0.56238%0.384SS*.BIsolated β-bridgetrans-58.8143.2173.5-82.7174.946.500111.1R880 P884 L933R880-M882 PolarHBondContact O-N 3.24Å; M882-P884 WeakPolarHBondContact O-CD 3.17Å; M882-L933 WeakPolarHBondContact CA-O 3.37Å
883H90.5Very high91.9Very high7 Ų763.9 Ų63.93%0.03235%0.354CS..PPolyproline II helixtrans-69.6119.5178.4-157.7-66.2000110.2N885 P886 E890 L933H883-N885 PolarHBondContact CE1-O 2.78Å; H883-N885 PolarHBondContact ND1-O 2.78Å; H883-P886 HydrophobicContact CB-CG 4.42Å; H883-P886 WeakPolarHBondContact ND1-CA 3.1Å; H883-E890 IonicContact CE1-OE2 3.37Å; H883-E890 PolarHBondContact CE1-OE2 3.38Å; H883-E890 IonicContact NE2-OE1 3.39Å; H883-E890 IonicContact NE2-OE2 2.66Å; H883-E890 PolarHBondContact NE2-OE2 3.22Å; H883-L933 HydrophobicContact CB-CB 4.16Å; H883-L933 HydrophobicContact CB-CD2 3.9Å; H883-L933 HydrophobicContact CB-CG 4.03Å; H883-L933 PolarHBondContact N-O 3.31Å
884P84.7Confident91.9Very high119 Ų11961.8 Ų61.877%0.77335%0.345SS*.SBendtrans-74.8-34.9-16827.9-35000113.5M882M882-P884 WeakPolarHBondContact O-CD 3.17Å
885N88.1Confident91.8Very high116 Ų11665.1 Ų65.162%0.6236%0.359SS*.SBendtrans-152.496175.3-176.919.2000109.1H883H883-N885 PolarHBondContact CE1-O 2.78Å; H883-N885 PolarHBondContact ND1-O 2.78Å
886P89Confident91.5Very high11 Ų1162.8 Ų62.87%0.07135%0.349CS..  trans-65.7131-178.8-18.731.4000111.7H883 I905 V908 V914 T930 L933H883-P886 HydrophobicContact CB-CG 4.42Å; H883-P886 WeakPolarHBondContact ND1-CA 3.1Å; P886-I905 HydrophobicContact CB-CD1 3.81Å; P886-V908 HydrophobicContact CB-CG2 4.4Å; P886-V908 VanDerWaalsContact O-CG2 3.29Å; P886-V908 WeakPolarHBondContact O-CG2 3.42Å; P886-V914 HydrophobicContact CB-CG1 3.91Å; P886-V914 HydrophobicContact CG-CG1 4.08Å; P886-T930 HydrophobicContact CG-CG2 3.65Å; P886-L933 HydrophobicContact CB-CD2 3.81Å; P886-L933 HydrophobicContact CG-CD2 3.82Å
887V89.4Confident91Very high70 Ų7063.9 Ų63.942%0.42435%0.354SS..  trans-120.7136.1178.1-176.60000110.7G889 E890 I905V887-G889 PolarHBondContact O-N 3.36Å; V887-E890 WeakPolarHBondContact O-CB 3.4Å; V887-E890 PolarHBondContact O-N 3.08Å; V887-E890 VanDerWaalsContact O-N 3.08Å; V887-I905 WeakPolarHBondContact O-CB 3.46Å; V887-I905 WeakPolarHBondContact O-CD1 3.44Å
888P87.6Confident90.7Very high69 Ų6962 Ų6245%0.44835%0.348SS..THydrogen-bonded Turntrans-55.9128.2174.6-25.335.9000112.1V908P888-V908 HydrophobicContact CG-CG2 4.27Å
889G85.7Confident90.6Very high46 Ų4659.4 Ų59.447%0.47432%0.321SS..THydrogen-bonded Turntrans101.9-22.2-173.600000114.6V887 I905V887-G889 PolarHBondContact O-N 3.36Å; G889-I905 PolarHBondContact N-O 2.99Å
890E90.9Very high90.6Very high65 Ų6557.9 Ų57.930%0.30431%0.312SS..  trans-76.9151.3178.6177.9166.5-152.700112.5H883 V887 I905 K941H883-E890 IonicContact CE1-OE2 3.37Å; H883-E890 PolarHBondContact CE1-OE2 3.38Å; H883-E890 IonicContact NE2-OE1 3.39Å; H883-E890 IonicContact NE2-OE2 2.66Å; H883-E890 PolarHBondContact NE2-OE2 3.22Å; V887-E890 WeakPolarHBondContact O-CB 3.4Å; V887-E890 PolarHBondContact O-N 3.08Å; V887-E890 VanDerWaalsContact O-N 3.08Å; E890-I905 HydrophobicContact CB-CD1 4.12Å; E890-I905 PolarHBondContact O-N 2.67Å; E890-K941 IonicContact OE1-NZ 2.65Å
891M94.2Very high90.6Very high53 Ų5355.3 Ų55.326%0.26130%0.303SS..EExtended strand (participates in β ladder)trans-95132.5172.9-77.2-174.1-73.900112.2V903 L919 C936 K941M891-V903 CarbonylContact C-O 3.55Å; M891-V903 VanDerWaalsContact CA-O 3.27Å; M891-V903 WeakPolarHBondContact CA-O 3.24Å; M891-L919 HydrophobicContact CG-CD1 4Å; M891-L919 HydrophobicContact SD-CD1 3.72Å; M891-C936 WeakPolarHBondContact O-CB 3.48Å; M891-K941 HydrophobicContact CB-CG 4.37Å; M891-K941 HydrophobicContact CE-CB 4.05Å; M891-K941 HydrophobicContact CE-CG 4.35Å; M891-K941 VanDerWaalsContact CE-O 3.3Å; M891-K941 WeakPolarHBondContact CE-O 3.35Å
892A95.3Very high90.8Very high0 Ų049.9 Ų49.90%028%0.277CS..EExtended strand (participates in β ladder)trans-135.9-176.8-177.600000110.4V903 I905 L933 Y934A892-V903 HydrophobicContact CB-CG2 3.98Å; A892-V903 PolarHBondContact N-O 3.38Å; A892-V903 PolarHBondContact O-N 2.71Å; A892-I905 HydrophobicContact CB-CD1 4.36Å; A892-I905 HydrophobicContact CB-CG1 4.5Å; A892-L933 HydrophobicContact CB-CD1 3.58Å; A892-L933 HydrophobicContact CB-CD2 3.85Å; A892-L933 HydrophobicContact CB-CG 3.66Å; A892-Y934 WeakPolarHBondContact CA-O 3.43Å; A892-Y934 WeakPolarHBondContact CB-O 3.4Å
893V96.3Very high90.9Very high0 Ų044.4 Ų44.40%025%0.25CS..EExtended strand (participates in β ladder)trans-130.6141.3176.5175.40000110.3Y874 Y900 E901 R902 Y934 C936Y874-V893 HydrophobicContact CD1-CG1 4.46Å; Y874-V893 HydrophobicContact CD2-CG1 4.01Å; Y874-V893 HydrophobicContact CD2-CG2 4.41Å; Y874-V893 HydrophobicContact CE1-CB 4.46Å; Y874-V893 HydrophobicContact CE2-CB 4.25Å; Y874-V893 HydrophobicContact CE2-CG1 4.14Å; Y874-V893 HydrophobicContact CE2-CG2 3.73Å; Y874-V893 HydrophobicContact CG-CG1 4.19Å; V893-Y900 HydrophobicContact CG1-CD1 4.25Å; V893-E901 WeakPolarHBondContact CA-O 3.45Å; V893-R902 HydrophobicContact CG2-CG 4.41Å; V893-Y934 PolarHBondContact N-O 2.91Å; V893-Y934 PolarHBondContact O-N 2.79Å; V893-C936 HydrophobicContact CG2-CB 4.26Å
894V95.2Very high91Very high0 Ų045.7 Ų45.70%026%0.256CS..EExtended strand (participates in β ladder)trans-122.3158.1173.3-60.90000111.1N896 Y900 E901 V903 V916 L918 Y928 L933V894-N896 HydrophobicContact CG2-CB 4.3Å; V894-Y900 WeakPolarHBondContact O-CA 3.39Å; V894-E901 PolarHBondContact N-O 3.19Å; V894-E901 PolarHBondContact O-N 2.57Å; V894-V903 HydrophobicContact CB-CG1 4.43Å; V894-V903 HydrophobicContact CG1-CG1 4.11Å; V894-V903 HydrophobicContact CG1-CG2 4.15Å; V894-V903 HydrophobicContact CG2-CG1 3.63Å; V894-V916 HydrophobicContact CG1-CG2 4.39Å; V894-L918 HydrophobicContact CG2-CD2 4.41Å; V894-Y928 HydrophobicContact CB-CE1 4.28Å; V894-Y928 HydrophobicContact CB-CE2 4.32Å; V894-Y928 HydrophobicContact CG1-CD1 4.49Å; V894-Y928 HydrophobicContact CG1-CD2 4.05Å; V894-Y928 HydrophobicContact CG1-CE2 4.16Å; V894-Y928 HydrophobicContact CG1-CG 4.21Å; V894-Y928 HydrophobicContact CG2-CE1 4.42Å; V894-Y928 HydrophobicContact CG2-CE2 3.99Å; V894-L933 HydrophobicContact CG1-CD1 3.57Å
895K93.5Very high91.4Very high70 Ų7040 Ų4030%0.30422%0.22SC..EExtended strand (participates in β ladder)trans-92.8113.2164-161.7172.3-161.8147.90109.8E875 R899 Y900E875-K895 IonicContact OE1-NZ 3.82Å; E875-K895 PolarHBondContact OE1-NZ 3.22Å; K895-R899 CarbonylContact C-O 3.51Å; K895-R899 VanDerWaalsContact CA-O 3.28Å; K895-R899 WeakPolarHBondContact CA-O 3.49Å; K895-Y900 HydrophobicContact CB-CD1 4.15Å; K895-Y900 HydrophobicContact CB-CE1 3.84Å; K895-Y900 HydrophobicContact CD-CE1 4Å; K895-Y900 HydrophobicContact CD-CE2 4.14Å; K895-Y900 WeakPolarHBondContact CD-OH 3.35Å; K895-Y900 HydrophobicContact CG-CD1 4.34Å; K895-Y900 HydrophobicContact CG-CE1 3.98Å; K895-Y900 HydrophobicContact CG-CE2 4.42Å; K895-Y900 PolarHBondContact NZ-OH 2.88Å
896N88.3Confident91.4Very high25 Ų2537.5 Ų37.513%0.13421%0.208CC..EExtended strand (participates in β ladder)trans-125.1115.5-176.6-17518.8000110.4V894 N898 R899 E901 Y928V894-N896 HydrophobicContact CG2-CB 4.3Å; N896-N898 VanDerWaalsContact C-N 3.3Å; N896-N898 PolarHBondContact O-N 3.13Å; N896-R899 PolarHBondContact N-O 2.87Å; N896-R899 WeakPolarHBondContact O-CB 3.31Å; N896-R899 PolarHBondContact O-N 2.9Å; N896-E901 HydrophobicContact CB-CG 4.43Å; N896-E901 WeakPolarHBondContact CB-OE2 3.5Å; N896-E901 PolarHBondContact ND2-OE2 3.13Å; N896-Y928 WeakPolarHBondContact CB-OH 3.34Å; N896-Y928 VanDerWaalsContact CG-OH 3.26Å; N896-Y928 PolarHBondContact OD1-OH 2.94Å
897I83.9Confident91.3Very high132 Ų13238.8 Ų38.868%0.67722%0.218SC*.THydrogen-bonded Turntrans44.255.7-176.8-44.7176.1000111.3R899I897-R899 PolarHBondContact O-N 3.02Å
898N86.5Confident91.1Very high104 Ų10438.8 Ų38.856%0.55622%0.217SC*.THydrogen-bonded Turntrans60.35.7-177.1-64.2-33.2000117.2L859 Q871 N896L859-N898 HydrophobicContact CD1-CB 3.98Å; Q871-N898 PolarHBondContact NE2-O 2.71Å; N896-N898 VanDerWaalsContact C-N 3.3Å; N896-N898 PolarHBondContact O-N 3.13Å
899R90.7Very high90.7Very high31 Ų3139.3 Ų39.312%0.11721%0.214CC..EExtended strand (participates in β ladder)trans-96.1151.8167.8-61.1-167.1-59.5-87.7-3112F858 K895 N896 I897 E901F858-R899 HydrophobicContact CD1-CG 3.97Å; F858-R899 HydrophobicContact CE1-CG 4.06Å; K895-R899 CarbonylContact C-O 3.51Å; K895-R899 VanDerWaalsContact CA-O 3.28Å; K895-R899 WeakPolarHBondContact CA-O 3.49Å; N896-R899 PolarHBondContact N-O 2.87Å; N896-R899 WeakPolarHBondContact O-CB 3.31Å; N896-R899 PolarHBondContact O-N 2.9Å; I897-R899 PolarHBondContact O-N 3.02Å; R899-E901 HydrophobicContact CB-CG 4.01Å; R899-E901 IonicContact CZ-OE1 2.79Å; R899-E901 IonicContact NE-OE1 3.74Å; R899-E901 PolarHBondContact NE-OE1 3.28Å; R899-E901 IonicContact NH2-OE1 2.98Å; R899-E901 PolarHBondContact NH2-OE1 3.06Å
900Y94.3Very high89.6Confident8 Ų842.4 Ų42.43%0.03123%0.228CC..EExtended strand (participates in β ladder)trans-97.1121.7164.5-69.1-82.8000109.6Y874 R880 V893 V894 K895 Y934Y874-Y900 VanDerWaalsContact CB-CD1 3.46Å; Y874-Y900 VanDerWaalsContact CB-CG 3.44Å; Y874-Y900 HydrophobicContact CG-CD1 4.29Å; Y874-Y900 HydrophobicContact CG-CG 4.45Å; Y874-Y900 VanDerWaalsContact O-CZ 3.31Å; Y874-Y900 PolarHBondContact O-OH 3.09Å; R880-Y900 VanDerWaalsContact CZ-OH 3.27Å; R880-Y900 PolarHBondContact NE-OH 3.29Å; V893-Y900 HydrophobicContact CG1-CD1 4.25Å; V894-Y900 WeakPolarHBondContact O-CA 3.39Å; K895-Y900 HydrophobicContact CB-CD1 4.15Å; K895-Y900 HydrophobicContact CB-CE1 3.84Å; K895-Y900 HydrophobicContact CD-CE1 4Å; K895-Y900 HydrophobicContact CD-CE2 4.14Å; K895-Y900 WeakPolarHBondContact CD-OH 3.35Å; K895-Y900 HydrophobicContact CG-CD1 4.34Å; K895-Y900 HydrophobicContact CG-CE1 3.98Å; K895-Y900 HydrophobicContact CG-CE2 4.42Å; K895-Y900 PolarHBondContact NZ-OH 2.88Å; Y900-Y934 HydrophobicContact CD1-CD2 4.49Å; Y900-Y934 HydrophobicContact CD1-CE2 4.34Å; Y900-Y934 HydrophobicContact CE1-CD2 4.35Å; Y900-Y934 AromaticContact CE1-CE2 3.83Å; Y900-Y934 HydrophobicContact CE1-CE2 3.83Å
901E93.9Very high88.3Confident6 Ų644.4 Ų44.43%0.02824%0.241CC..EExtended strand (participates in β ladder)trans-127135.1-170.6-58.6-172.4144.200110.5V893 V894 N896 R899 L918 T921V893-E901 WeakPolarHBondContact CA-O 3.45Å; V894-E901 PolarHBondContact N-O 3.19Å; V894-E901 PolarHBondContact O-N 2.57Å; N896-E901 HydrophobicContact CB-CG 4.43Å; N896-E901 WeakPolarHBondContact CB-OE2 3.5Å; N896-E901 PolarHBondContact ND2-OE2 3.13Å; R899-E901 HydrophobicContact CB-CG 4.01Å; R899-E901 IonicContact CZ-OE1 2.79Å; R899-E901 IonicContact NE-OE1 3.74Å; R899-E901 PolarHBondContact NE-OE1 3.28Å; R899-E901 IonicContact NH2-OE1 2.98Å; R899-E901 PolarHBondContact NH2-OE1 3.06Å; E901-L918 WeakPolarHBondContact OE2-CD1 3.5Å; E901-T921 HydrophobicContact CG-CG2 4.32Å; E901-T921 VanDerWaalsContact OE1-CB 3.26Å; E901-T921 WeakPolarHBondContact OE1-CB 3.49Å; E901-T921 WeakPolarHBondContact OE1-CG2 3.49Å; E901-T921 PolarHBondContact OE1-OG1 2.89Å; E901-T921 PolarHBondContact OE2-OG1 3.2Å
902R95.9Very high87.5Confident1 Ų144.8 Ų44.80%0.00425%0.253CS..EExtended strand (participates in β ladder)trans-72.4138.3174.2-57-173.9-55.9150.74.6110V870 V893 L919 D920 F940 S943 P944V870-R902 HydrophobicContact CG1-CG 4.4Å; V870-R902 HydrophobicContact CG2-CG 4.07Å; V893-R902 HydrophobicContact CG2-CG 4.41Å; R902-L919 HydrophobicContact CB-CB 4.42Å; R902-L919 HydrophobicContact CB-CD1 4.17Å; R902-L919 WeakPolarHBondContact O-CB 3.19Å; R902-L919 PolarHBondContact O-N 2.76Å; R902-L919 VanDerWaalsContact O-N 3.07Å; R902-D920 IonicContact CZ-OD1 2.73Å; R902-D920 IonicContact CZ-OD2 3.2Å; R902-D920 IonicContact NE-OD1 2.96Å; R902-D920 IonicContact NE-OD2 2.69Å; R902-D920 PolarHBondContact NE-OD2 2.86Å; R902-D920 IonicContact NH2-OD1 3.9Å; R902-D920 PolarHBondContact NH2-OD1 3.13Å; R902-D920 IonicContact NH2-OD2 3.87Å; R902-D920 PolarHBondContact NH2-OD2 3.11Å; R902-F940 WeakPolarHBondContact CD-O 3.22Å; R902-F940 PolarHBondContact NH1-O 2.84Å; R902-S943 PolarHBondContact NH1-O 3.34Å; R902-P944 PolarHBondContact NH2-O 3.4Å
903V95.3Very high87.2Confident0 Ų047 Ų470%026%0.264CS..EExtended strand (participates in β ladder)trans-134.2154.9-178-48.90000111.2M891 A892 V894 V916 Q917 L918 L933M891-V903 CarbonylContact C-O 3.55Å; M891-V903 VanDerWaalsContact CA-O 3.27Å; M891-V903 WeakPolarHBondContact CA-O 3.24Å; A892-V903 HydrophobicContact CB-CG2 3.98Å; A892-V903 PolarHBondContact N-O 3.38Å; A892-V903 PolarHBondContact O-N 2.71Å; V894-V903 HydrophobicContact CB-CG1 4.43Å; V894-V903 HydrophobicContact CG1-CG1 4.11Å; V894-V903 HydrophobicContact CG1-CG2 4.15Å; V894-V903 HydrophobicContact CG2-CG1 3.63Å; V903-V916 HydrophobicContact CB-CB 3.84Å; V903-V916 HydrophobicContact CB-CG2 3.79Å; V903-V916 HydrophobicContact CG1-CG2 3.91Å; V903-V916 HydrophobicContact CG2-CB 3.71Å; V903-V916 HydrophobicContact CG2-CG1 4.04Å; V903-V916 HydrophobicContact CG2-CG2 3.85Å; V903-Q917 CarbonylContact C-O 3.55Å; V903-Q917 VanDerWaalsContact CA-O 3.22Å; V903-Q917 WeakPolarHBondContact CA-O 3.22Å; V903-Q917 WeakPolarHBondContact CB-O 3.29Å; V903-L918 HydrophobicContact CG1-CD2 3.52Å; V903-L933 HydrophobicContact CG2-CD1 3.9Å
904H93.2Very high86.9Confident34 Ų3447 Ų4716%0.15726%0.264CS..EExtended strand (participates in β ladder)trans-112124.4170.7172.2-54.6000108.3V906 V916 Q917 L919H904-V906 PolarHBondContact O-N 3.12Å; H904-V916 WeakPolarHBondContact O-CA 3.3Å; H904-Q917 PolarHBondContact N-O 2.96Å; H904-Q917 PolarHBondContact O-N 2.88Å; H904-L919 HydrophobicContact CB-CD1 4.34Å; H904-L919 HydrophobicContact CB-CD2 3.95Å; H904-L919 HydrophobicContact CB-CG 4.4Å
905I92.3Very high86.8Confident0 Ų049 Ų490%027%0.274CS..EExtended strand (participates in β ladder)trans-68.6124.5179.7-58.2155.8000108.3P886 V887 G889 E890 A892 V908 V916 L933P886-I905 HydrophobicContact CB-CD1 3.81Å; V887-I905 WeakPolarHBondContact O-CB 3.46Å; V887-I905 WeakPolarHBondContact O-CD1 3.44Å; G889-I905 PolarHBondContact N-O 2.99Å; E890-I905 HydrophobicContact CB-CD1 4.12Å; E890-I905 PolarHBondContact O-N 2.67Å; A892-I905 HydrophobicContact CB-CD1 4.36Å; A892-I905 HydrophobicContact CB-CG1 4.5Å; I905-V908 HydrophobicContact CG2-CG2 4.33Å; I905-V916 HydrophobicContact CG1-CG1 4.28Å; I905-L933 HydrophobicContact CD1-CD2 4.01Å; I905-L933 HydrophobicContact CG1-CD2 4.2Å
906V88.8Confident86.8Confident62 Ų6245.7 Ų45.738%0.37626%0.26SS..EExtended strand (participates in β ladder)trans-96.8-44.2-177.6-1790000110.3H904 L915 Q917H904-V906 PolarHBondContact O-N 3.12Å; V906-L915 WeakPolarHBondContact CA-O 3.49Å; V906-L915 HydrophobicContact CB-CD2 4.32Å; V906-L915 HydrophobicContact CB-CG 4.3Å; V906-L915 WeakPolarHBondContact CB-O 3.02Å; V906-L915 HydrophobicContact CG1-CD2 4.21Å; V906-L915 PolarHBondContact N-O 2.85Å; V906-Q917 HydrophobicContact CG2-CB 3.76Å
907S86.3Confident87Confident39 Ų3946 Ų4627%0.27326%0.26SS..EExtended strand (participates in β ladder)trans-155.5151.8173.547.90000110.6L915S907-L915 PolarHBondContact N-O 2.97Å; S907-L915 PolarHBondContact O-N 2.91Å; S907-L915 WeakPolarHBondContact OG-CB 3.46Å
908V84.5Confident87.5Confident69 Ų6939.8 Ų39.842%0.41823%0.229SC..EExtended strand (participates in β ladder)trans-99.8131.6166.2-174.50000106.8P886 P888 I905 V914P886-V908 HydrophobicContact CB-CG2 4.4Å; P886-V908 VanDerWaalsContact O-CG2 3.29Å; P886-V908 WeakPolarHBondContact O-CG2 3.42Å; P888-V908 HydrophobicContact CG-CG2 4.27Å; I905-V908 HydrophobicContact CG2-CG2 4.33Å; V908-V914 HydrophobicContact CG1-CG1 4.31Å; V908-V914 HydrophobicContact CG2-CG1 4.28Å
909E79.3Confident87.8Confident81 Ų8135 Ų3538%0.37920%0.203SC..EExtended strand (participates in β ladder)trans-105.4146.2178.8-64.8170.4-178.800108.5N911 M913E909-N911 PolarHBondContact O-N 2.88Å; E909-M913 HydrophobicContact CB-CB 4.22Å; E909-M913 PolarHBondContact N-O 2.91Å
910S63Low87.9Confident110 Ų11034.1 Ų34.177%0.76920%0.201SC*.THydrogen-bonded Turntrans-51.8-34.7-170.637.50000114.4A912S910-A912 PolarHBondContact O-N 3.37Å
911N62.9Low87.7Confident107 Ų10734.5 Ų34.557%0.57220%0.204SC*.THydrogen-bonded Turntrans-85.637.1-169.7-57.968.5000113.1E909 M913E909-N911 PolarHBondContact O-N 2.88Å; N911-M913 PolarHBondContact O-N 3.47Å
912A78.6Confident87.5Confident62 Ų6234.5 Ų34.551%0.51220%0.204SC..THydrogen-bonded Turntrans52.930.8-173.400000114.5S910 T930S910-A912 PolarHBondContact O-N 3.37Å; A912-T930 PolarHBondContact O-N 2.85Å; A912-T930 PolarHBondContact O-OG1 2.79Å
913M88.9Confident87.3Confident46 Ų4635.4 Ų35.423%0.22721%0.21CC..EExtended strand (participates in β ladder)trans-106144.2175.4-65.7-62.4-62.700110E909 N911 S927 Y928 K929E909-M913 HydrophobicContact CB-CB 4.22Å; E909-M913 PolarHBondContact N-O 2.91Å; N911-M913 PolarHBondContact O-N 3.47Å; M913-S927 WeakPolarHBondContact CE-OG 3.29Å; M913-Y928 CarbonylContact C-O 3.57Å; M913-Y928 WeakPolarHBondContact CA-O 3.45Å; M913-Y928 VanDerWaalsContact CE-C 3.41Å; M913-Y928 WeakPolarHBondContact CE-O 3.37Å; M913-K929 HydrophobicContact CE-CG 4.5Å; M913-K929 HydrophobicContact SD-CB 4.34Å; M913-K929 HydrophobicContact SD-CG 3.56Å; M913-K929 VanDerWaalsContact SD-CG 3.56Å
914V90.2Very high87Confident0 Ų038.6 Ų38.60%023%0.225CC..EExtended strand (participates in β ladder)trans-124.4123178-72.80000109.6P886 V908 V916 S927 Y928 L933P886-V914 HydrophobicContact CB-CG1 3.91Å; P886-V914 HydrophobicContact CG-CG1 4.08Å; V908-V914 HydrophobicContact CG1-CG1 4.31Å; V908-V914 HydrophobicContact CG2-CG1 4.28Å; V914-V916 HydrophobicContact CB-CG1 4.13Å; V914-V916 HydrophobicContact CG2-CG1 4.04Å; V914-S927 WeakPolarHBondContact O-CA 3.35Å; V914-Y928 WeakPolarHBondContact CG2-O 3.34Å; V914-Y928 PolarHBondContact N-O 3.48Å; V914-Y928 PolarHBondContact O-N 3.42Å; V914-L933 HydrophobicContact CG2-CD2 4.32Å
915L92.1Very high86.9Confident43 Ų4339.9 Ų39.923%0.22524%0.237CC..EExtended strand (participates in β ladder)trans-84.2116.6171-175.568.6000108V906 S907 C925V906-L915 WeakPolarHBondContact CA-O 3.49Å; V906-L915 HydrophobicContact CB-CD2 4.32Å; V906-L915 HydrophobicContact CB-CG 4.3Å; V906-L915 WeakPolarHBondContact CB-O 3.02Å; V906-L915 HydrophobicContact CG1-CD2 4.21Å; V906-L915 PolarHBondContact N-O 2.85Å; S907-L915 PolarHBondContact N-O 2.97Å; S907-L915 PolarHBondContact O-N 2.91Å; S907-L915 WeakPolarHBondContact OG-CB 3.46Å; L915-C925 HydrophobicContact CD1-CB 3.86Å; L915-C925 HydrophobicContact CG-CB 4.17Å
916V93.1Very high86.8Confident0 Ų043.3 Ų43.30%025%0.252CS..EExtended strand (participates in β ladder)trans-124.9138.1-176.1-49.30000111V894 V903 H904 I905 V914 C925 F926 Y928 L933V894-V916 HydrophobicContact CG1-CG2 4.39Å; V903-V916 HydrophobicContact CB-CB 3.84Å; V903-V916 HydrophobicContact CB-CG2 3.79Å; V903-V916 HydrophobicContact CG1-CG2 3.91Å; V903-V916 HydrophobicContact CG2-CB 3.71Å; V903-V916 HydrophobicContact CG2-CG1 4.04Å; V903-V916 HydrophobicContact CG2-CG2 3.85Å; H904-V916 WeakPolarHBondContact O-CA 3.3Å; I905-V916 HydrophobicContact CG1-CG1 4.28Å; V914-V916 HydrophobicContact CB-CG1 4.13Å; V914-V916 HydrophobicContact CG2-CG1 4.04Å; V916-C925 CarbonylContact O-C 3.58Å; V916-C925 VanDerWaalsContact O-CA 3.24Å; V916-C925 WeakPolarHBondContact O-CA 3.22Å; V916-F926 PolarHBondContact N-O 2.98Å; V916-F926 PolarHBondContact O-N 3Å; V916-Y928 HydrophobicContact CG2-CD2 3.67Å; V916-Y928 HydrophobicContact CG2-CE2 3.92Å; V916-L933 HydrophobicContact CG1-CD1 4.21Å
917Q93.6Very high86.9Confident30 Ų3043 Ų4314%0.1425%0.253CS..EExtended strand (participates in β ladder)trans-91.5128.3173.3174.116769.700109.4V903 H904 V906 T923 E924V903-Q917 CarbonylContact C-O 3.55Å; V903-Q917 VanDerWaalsContact CA-O 3.22Å; V903-Q917 WeakPolarHBondContact CA-O 3.22Å; V903-Q917 WeakPolarHBondContact CB-O 3.29Å; H904-Q917 PolarHBondContact N-O 2.96Å; H904-Q917 PolarHBondContact O-N 2.88Å; V906-Q917 HydrophobicContact CG2-CB 3.76Å; Q917-T923 PolarHBondContact NE2-O 2.93Å; Q917-E924 WeakPolarHBondContact CA-O 3.42Å
918L93.9Very high87.2Confident3 Ų342.4 Ų42.42%0.01624%0.244CC..EExtended strand (participates in β ladder)trans-67148.7171.9-57.1-172000110.5V894 E901 V903 S922 E924 F926V894-L918 HydrophobicContact CG2-CD2 4.41Å; E901-L918 WeakPolarHBondContact OE2-CD1 3.5Å; V903-L918 HydrophobicContact CG1-CD2 3.52Å; L918-S922 CarbonylContact C-O 3.54Å; L918-S922 VanDerWaalsContact C-O 3.26Å; L918-S922 WeakPolarHBondContact CB-O 3.45Å; L918-E924 PolarHBondContact N-O 2.94Å; L918-F926 HydrophobicContact CD1-CD2 3.91Å; L918-F926 HydrophobicContact CD1-CE2 3.51Å; L918-F926 HydrophobicContact CD1-CZ 4.42Å; L918-F926 HydrophobicContact CD2-CD2 4.32Å; L918-F926 HydrophobicContact CG-CD2 3.8Å; L918-F926 HydrophobicContact CG-CE2 3.81Å
919L93.9Very high87.6Confident2 Ų244.9 Ų44.91%0.0125%0.25CC..SBendtrans-110.5-28.2-175.7-63.9177.8000114.8M891 R902 H904 R945 E946 A947M891-L919 HydrophobicContact CG-CD1 4Å; M891-L919 HydrophobicContact SD-CD1 3.72Å; R902-L919 HydrophobicContact CB-CB 4.42Å; R902-L919 HydrophobicContact CB-CD1 4.17Å; R902-L919 WeakPolarHBondContact O-CB 3.19Å; R902-L919 PolarHBondContact O-N 2.76Å; R902-L919 VanDerWaalsContact O-N 3.07Å; H904-L919 HydrophobicContact CB-CD1 4.34Å; H904-L919 HydrophobicContact CB-CD2 3.95Å; H904-L919 HydrophobicContact CB-CG 4.4Å; L919-R945 HydrophobicContact CB-CB 4.19Å; L919-R945 HydrophobicContact CD2-CB 4.32Å; L919-R945 WeakPolarHBondContact O-CB 3.28Å; L919-E946 PolarHBondContact O-N 2.9Å; L919-A947 WeakPolarHBondContact O-CB 3.13Å; L919-A947 PolarHBondContact O-N 2.98Å
920D92.4Very high88Confident14 Ų1442.5 Ų42.58%0.07524%0.241CC..SBendtrans-121.9-20.5-166.9-57.8-42.9000114.7L836 R902 E946L836-D920 WeakPolarHBondContact CD1-O 3.39Å; R902-D920 IonicContact CZ-OD1 2.73Å; R902-D920 IonicContact CZ-OD2 3.2Å; R902-D920 IonicContact NE-OD1 2.96Å; R902-D920 IonicContact NE-OD2 2.69Å; R902-D920 PolarHBondContact NE-OD2 2.86Å; R902-D920 IonicContact NH2-OD1 3.9Å; R902-D920 PolarHBondContact NH2-OD1 3.13Å; R902-D920 IonicContact NH2-OD2 3.87Å; R902-D920 PolarHBondContact NH2-OD2 3.11Å; D920-E946 HydrophobicContact CB-CB 4.25Å; D920-E946 PolarHBondContact OD1-N 2.62Å
921T88.7Confident89.3Confident16 Ų1640.5 Ų40.510%0.09823%0.227CC..SBendtrans-121.6-16.4-17362.70000114.2L836 V837 F861 E901L836-T921 WeakPolarHBondContact CB-O 3.09Å; V837-T921 WeakPolarHBondContact CG2-O 3.46Å; F861-T921 HydrophobicContact CD1-CG2 4.47Å; F861-T921 HydrophobicContact CE1-CG2 3.51Å; F861-T921 HydrophobicContact CZ-CG2 3.7Å; E901-T921 HydrophobicContact CG-CG2 4.32Å; E901-T921 VanDerWaalsContact OE1-CB 3.26Å; E901-T921 WeakPolarHBondContact OE1-CB 3.49Å; E901-T921 WeakPolarHBondContact OE1-CG2 3.49Å; E901-T921 PolarHBondContact OE1-OG1 2.89Å; E901-T921 PolarHBondContact OE2-OG1 3.2Å
922S91.4Very high90.6Very high5 Ų539.7 Ų39.74%0.03522%0.22CC..  trans-160.3165.1175.5-167.40000107.5Y839 L918 E924 A947Y839-S922 PolarHBondContact OH-OG 2.92Å; L918-S922 CarbonylContact C-O 3.54Å; L918-S922 VanDerWaalsContact C-O 3.26Å; L918-S922 WeakPolarHBondContact CB-O 3.45Å; S922-E924 PolarHBondContact OG-N 3.33Å; S922-E924 PolarHBondContact OG-OE2 3.05Å; S922-A947 WeakPolarHBondContact O-CB 3.35Å
923T91.1Very high91.4Very high20 Ų2036.8 Ų36.812%0.12320%0.195CC..SBendtrans-106.26.2166.2600000112.7Y839 A845 Q917 A947 D949Y839-T923 PolarHBondContact OH-N 3.44Å; Y839-T923 PolarHBondContact OH-OG1 3.13Å; A845-T923 HydrophobicContact CB-CG2 4.34Å; Q917-T923 PolarHBondContact NE2-O 2.93Å; T923-A947 HydrophobicContact CG2-CB 4.03Å; T923-D949 HydrophobicContact CG2-CB 4.47Å
924E89.6Confident91.7Very high68 Ų6836.4 Ų36.432%0.31819%0.192SC..  trans-69.5156.8176-79.3164.8143.700112.9Y839 Q917 L918 S922 F926Y839-E924 HydrophobicContact CD1-CG 4.09Å; Y839-E924 WeakPolarHBondContact CD1-OE1 3.48Å; Y839-E924 HydrophobicContact CE1-CG 3.46Å; Y839-E924 VanDerWaalsContact CE1-CG 3.46Å; Y839-E924 WeakPolarHBondContact CE1-OE1 3.42Å; Y839-E924 WeakPolarHBondContact CE1-OE2 3.46Å; Q917-E924 WeakPolarHBondContact CA-O 3.42Å; L918-E924 PolarHBondContact N-O 2.94Å; S922-E924 PolarHBondContact OG-N 3.33Å; S922-E924 PolarHBondContact OG-OE2 3.05Å; E924-F926 HydrophobicContact CB-CD2 4.34Å; E924-F926 HydrophobicContact CB-CE2 3.51Å; E924-F926 HydrophobicContact CB-CZ 3.83Å
925C90.1Very high91.9Very high60 Ų6038.2 Ų38.241%0.40520%0.204SC..EExtended strand (participates in β ladder)trans-101.7138.9171.2-55.70000110.7L915 V916L915-C925 HydrophobicContact CD1-CB 3.86Å; L915-C925 HydrophobicContact CG-CB 4.17Å; V916-C925 CarbonylContact O-C 3.58Å; V916-C925 VanDerWaalsContact O-CA 3.24Å; V916-C925 WeakPolarHBondContact O-CA 3.22Å
926F90.3Very high92Very high73 Ų7336.4 Ų36.432%0.3220%0.195SC..EExtended strand (participates in β ladder)trans-130.6147.2178.7-62.4-92.2000109.6V916 L918 E924 Y928V916-F926 PolarHBondContact N-O 2.98Å; V916-F926 PolarHBondContact O-N 3Å; L918-F926 HydrophobicContact CD1-CD2 3.91Å; L918-F926 HydrophobicContact CD1-CE2 3.51Å; L918-F926 HydrophobicContact CD1-CZ 4.42Å; L918-F926 HydrophobicContact CD2-CD2 4.32Å; L918-F926 HydrophobicContact CG-CD2 3.8Å; L918-F926 HydrophobicContact CG-CE2 3.81Å; E924-F926 HydrophobicContact CB-CD2 4.34Å; E924-F926 HydrophobicContact CB-CE2 3.51Å; E924-F926 HydrophobicContact CB-CZ 3.83Å; F926-Y928 HydrophobicContact CB-CD2 4.16Å; F926-Y928 HydrophobicContact CB-CE2 3.62Å
927S91.9Very high91.9Very high56 Ų5638.5 Ų38.539%0.39221%0.208SC..EExtended strand (participates in β ladder)trans-97.8123.8175.6-168.70000109.7M913 V914M913-S927 WeakPolarHBondContact CE-OG 3.29Å; V914-S927 WeakPolarHBondContact O-CA 3.35Å
928Y91.8Very high91.7Very high25 Ų2542.5 Ų42.510%0.09823%0.227CC..EExtended strand (participates in β ladder)trans-122.3159.1178.2-73.1-89.6000110.1V894 N896 M913 V914 V916 F926 Q932V894-Y928 HydrophobicContact CB-CE1 4.28Å; V894-Y928 HydrophobicContact CB-CE2 4.32Å; V894-Y928 HydrophobicContact CG1-CD1 4.49Å; V894-Y928 HydrophobicContact CG1-CD2 4.05Å; V894-Y928 HydrophobicContact CG1-CE2 4.16Å; V894-Y928 HydrophobicContact CG1-CG 4.21Å; V894-Y928 HydrophobicContact CG2-CE1 4.42Å; V894-Y928 HydrophobicContact CG2-CE2 3.99Å; N896-Y928 WeakPolarHBondContact CB-OH 3.34Å; N896-Y928 VanDerWaalsContact CG-OH 3.26Å; N896-Y928 PolarHBondContact OD1-OH 2.94Å; M913-Y928 CarbonylContact C-O 3.57Å; M913-Y928 WeakPolarHBondContact CA-O 3.45Å; M913-Y928 VanDerWaalsContact CE-C 3.41Å; M913-Y928 WeakPolarHBondContact CE-O 3.37Å; V914-Y928 WeakPolarHBondContact CG2-O 3.34Å; V914-Y928 PolarHBondContact N-O 3.48Å; V914-Y928 PolarHBondContact O-N 3.42Å; V916-Y928 HydrophobicContact CG2-CD2 3.67Å; V916-Y928 HydrophobicContact CG2-CE2 3.92Å; F926-Y928 HydrophobicContact CB-CD2 4.16Å; F926-Y928 HydrophobicContact CB-CE2 3.62Å; Y928-Q932 HydrophobicContact CD1-CB 4.33Å
929K91.8Very high91.4Very high121 Ų12147.4 Ų47.453%0.52625%0.252SS..EExtended strand (participates in β ladder)trans-71.2146.5167.2-65.1-178.4178.2-172.30109.7M913 S931 Q932M913-K929 HydrophobicContact CE-CG 4.5Å; M913-K929 HydrophobicContact SD-CB 4.34Å; M913-K929 HydrophobicContact SD-CG 3.56Å; M913-K929 VanDerWaalsContact SD-CG 3.56Å; K929-S931 PolarHBondContact O-N 3.35Å; K929-S931 VanDerWaalsContact O-N 3.11Å; K929-Q932 HydrophobicContact CB-CG 4.2Å; K929-Q932 WeakPolarHBondContact O-CB 3.28Å; K929-Q932 PolarHBondContact O-N 3.11Å
930T89Confident91.4Very high32 Ų3247.5 Ų47.520%0.19625%0.252CS..G310 helixtrans-52.8-33.7173.1-64.20000112.5P886 A912 Q932 L933P886-T930 HydrophobicContact CG-CG2 3.65Å; A912-T930 PolarHBondContact O-N 2.85Å; A912-T930 PolarHBondContact O-OG1 2.79Å; T930-Q932 PolarHBondContact O-N 2.89Å; T930-L933 WeakPolarHBondContact O-CB 3.42Å; T930-L933 PolarHBondContact O-N 2.89Å; T930-L933 VanDerWaalsContact O-N 3.17Å
931S89.3Confident91.2Very high68 Ų6849.1 Ų49.148%0.47626%0.258SS..G310 helixtrans-70.9-7.717655.60000115.7K929K929-S931 PolarHBondContact O-N 3.35Å; K929-S931 VanDerWaalsContact O-N 3.11Å
932Q91.4Very high91.1Very high90 Ų9055 Ų5542%0.42129%0.289SS..G310 helixtrans-99.80.4174.1-61.4172.2-54.800112.2Y928 K929 T930Y928-Q932 HydrophobicContact CD1-CB 4.33Å; K929-Q932 HydrophobicContact CB-CG 4.2Å; K929-Q932 WeakPolarHBondContact O-CB 3.28Å; K929-Q932 PolarHBondContact O-N 3.11Å; T930-Q932 PolarHBondContact O-N 2.89Å
933L94.1Very high91Very high0 Ų056.2 Ų56.20%030%0.297CS..EExtended strand (participates in β ladder)trans-99.8128.9-178.8-161.271.8000110.3M882 H883 P886 A892 V894 V903 I905 V914 V916 T930M882-L933 WeakPolarHBondContact CA-O 3.37Å; H883-L933 HydrophobicContact CB-CB 4.16Å; H883-L933 HydrophobicContact CB-CD2 3.9Å; H883-L933 HydrophobicContact CB-CG 4.03Å; H883-L933 PolarHBondContact N-O 3.31Å; P886-L933 HydrophobicContact CB-CD2 3.81Å; P886-L933 HydrophobicContact CG-CD2 3.82Å; A892-L933 HydrophobicContact CB-CD1 3.58Å; A892-L933 HydrophobicContact CB-CD2 3.85Å; A892-L933 HydrophobicContact CB-CG 3.66Å; V894-L933 HydrophobicContact CG1-CD1 3.57Å; V903-L933 HydrophobicContact CG2-CD1 3.9Å; I905-L933 HydrophobicContact CD1-CD2 4.01Å; I905-L933 HydrophobicContact CG1-CD2 4.2Å; V914-L933 HydrophobicContact CG2-CD2 4.32Å; V916-L933 HydrophobicContact CG1-CD1 4.21Å; T930-L933 WeakPolarHBondContact O-CB 3.42Å; T930-L933 PolarHBondContact O-N 2.89Å; T930-L933 VanDerWaalsContact O-N 3.17Å
934Y95.3Very high91.1Very high39 Ų3957.9 Ų57.915%0.15331%0.309CS..EExtended strand (participates in β ladder)trans-108.3147.3176.2-53.2-67.3000111.1R880 H881 A892 V893 Y900 C936R880-Y934 HydrophobicContact CB-CD1 4.01Å; R880-Y934 HydrophobicContact CB-CE1 3.78Å; R880-Y934 WeakPolarHBondContact O-CD1 3.28Å; H881-Y934 CarbonylContact O-C 3.59Å; H881-Y934 WeakPolarHBondContact O-CA 3.49Å; H881-Y934 WeakPolarHBondContact O-CB 3.31Å; A892-Y934 WeakPolarHBondContact CA-O 3.43Å; A892-Y934 WeakPolarHBondContact CB-O 3.4Å; V893-Y934 PolarHBondContact N-O 2.91Å; V893-Y934 PolarHBondContact O-N 2.79Å; Y900-Y934 HydrophobicContact CD1-CD2 4.49Å; Y900-Y934 HydrophobicContact CD1-CE2 4.34Å; Y900-Y934 HydrophobicContact CE1-CD2 4.35Å; Y900-Y934 AromaticContact CE1-CE2 3.83Å; Y900-Y934 HydrophobicContact CE1-CE2 3.83Å; Y934-C936 PolarHBondContact O-N 3.34Å
935S94.1Very high91.2Very high37 Ų3756.4 Ų56.426%0.25930%0.3SS..EExtended strand (participates in β ladder)trans-62.7126.7173-60.20000110.6Y874 H881 V937Y874-S935 PolarHBondContact OH-O 3.49Å; H881-S935 PolarHBondContact O-N 2.79Å; S935-V937 PolarHBondContact O-N 2.83Å
936C94.4Very high91.4Very high5 Ų554 Ų543%0.03428%0.283CS..PPolyproline II helixtrans-74124.8172.3-166.20000109.3Y874 M891 V893 Y934 K941Y874-C936 WeakPolarHBondContact OH-CA 3.47Å; M891-C936 WeakPolarHBondContact O-CB 3.48Å; V893-C936 HydrophobicContact CG2-CB 4.26Å; Y934-C936 PolarHBondContact O-N 3.34Å; C936-K941 HydrophobicContact CB-CG 4.05Å; C936-K941 WeakPolarHBondContact O-CE 3.38Å
937V92.6Very high91.6Very high44 Ų4450.5 Ų50.527%0.26727%0.268SS..PPolyproline II helixtrans-73.9144.4174.3-690000110.9Y874 S935 I939 F940 K941Y874-V937 PolarHBondContact OH-N 2.84Å; Y874-V937 VanDerWaalsContact OH-N 3.15Å; S935-V937 PolarHBondContact O-N 2.83Å; V937-I939 HydrophobicContact CB-CG1 4.28Å; V937-I939 HydrophobicContact CG2-CD1 4.1Å; V937-I939 HydrophobicContact CG2-CG1 3.6Å; V937-I939 PolarHBondContact O-N 2.9Å; V937-I939 VanDerWaalsContact O-N 3.08Å; V937-F940 HydrophobicContact CG2-CD2 3.32Å; V937-F940 HydrophobicContact CG2-CE2 3.59Å; V937-F940 HydrophobicContact CG2-CG 4.15Å; V937-F940 PolarHBondContact O-N 3.44Å; V937-K941 PolarHBondContact O-N 3.17Å
938E88.6Confident91.8Very high115 Ų11547.9 Ų47.954%0.53725%0.249SC..Hα-helixtrans-52.9-37.7-170.9-56.2-52.8125.500113.8F940 K941 D942E938-F940 PolarHBondContact O-N 2.84Å; E938-K941 PolarHBondContact O-N 2.81Å; E938-K941 WeakPolarHBondContact OE1-CD 3.36Å; E938-K941 WeakPolarHBondContact OE1-CE 3.33Å; E938-K941 IonicContact OE1-NZ 3.72Å; E938-K941 PolarHBondContact OE1-NZ 3.25Å; E938-K941 VanDerWaalsContact OE2-CD 3.31Å; E938-K941 WeakPolarHBondContact OE2-CD 3.27Å; E938-K941 IonicContact OE2-NZ 3.56Å; E938-D942 PolarHBondContact O-N 2.77Å
939I88.5Confident91.9Very high106 Ų10647.5 Ų47.554%0.54425%0.249SC..Hα-helixtrans-56.2-15.4175.562.2167.3000114.9V937V937-I939 HydrophobicContact CB-CG1 4.28Å; V937-I939 HydrophobicContact CG2-CD1 4.1Å; V937-I939 HydrophobicContact CG2-CG1 3.6Å; V937-I939 PolarHBondContact O-N 2.9Å; V937-I939 VanDerWaalsContact O-N 3.08Å
940F92.4Very high92.2Very high4 Ų441.7 Ų41.72%0.01822%0.224CC..Hα-helixtrans-113.1-10.5175.2-57.6-37.5000113.5L866 R869 V870 H873 Y874 R902 V937 E938L866-F940 HydrophobicContact CD1-CD1 3.92Å; R869-F940 HydrophobicContact CB-CE1 3.87Å; R869-F940 HydrophobicContact CB-CZ 4.26Å; V870-F940 HydrophobicContact CG2-CB 4.36Å; V870-F940 HydrophobicContact CG2-CD1 3.84Å; V870-F940 HydrophobicContact CG2-CD2 3.91Å; V870-F940 HydrophobicContact CG2-CE1 4.05Å; V870-F940 HydrophobicContact CG2-CE2 4.12Å; V870-F940 HydrophobicContact CG2-CG 3.78Å; V870-F940 HydrophobicContact CG2-CZ 4.19Å; H873-F940 HydrophobicContact CB-CE2 3.76Å; H873-F940 HydrophobicContact CB-CZ 3.81Å; H873-F940 AromaticContact CD2-CE2 3.86Å; H873-F940 AromaticContact CG-CE2 3.76Å; Y874-F940 HydrophobicContact CD2-CE2 4.45Å; Y874-F940 AromaticContact CE2-CD2 3.89Å; Y874-F940 HydrophobicContact CE2-CD2 3.89Å; Y874-F940 AromaticContact CE2-CE2 3.87Å; Y874-F940 HydrophobicContact CE2-CE2 3.87Å; R902-F940 WeakPolarHBondContact CD-O 3.22Å; R902-F940 PolarHBondContact NH1-O 2.84Å; V937-F940 HydrophobicContact CG2-CD2 3.32Å; V937-F940 HydrophobicContact CG2-CE2 3.59Å; V937-F940 HydrophobicContact CG2-CG 4.15Å; V937-F940 PolarHBondContact O-N 3.44Å; E938-F940 PolarHBondContact O-N 2.84Å
941K89Confident92.6Very high47 Ų4742.1 Ų42.120%0.20422%0.222CC..Hα-helixtrans-76.8-39171.6-72.6177.2174.2170.10111.5E890 M891 C936 V937 E938 S943E890-K941 IonicContact OE1-NZ 2.65Å; M891-K941 HydrophobicContact CB-CG 4.37Å; M891-K941 HydrophobicContact CE-CB 4.05Å; M891-K941 HydrophobicContact CE-CG 4.35Å; M891-K941 VanDerWaalsContact CE-O 3.3Å; M891-K941 WeakPolarHBondContact CE-O 3.35Å; C936-K941 HydrophobicContact CB-CG 4.05Å; C936-K941 WeakPolarHBondContact O-CE 3.38Å; V937-K941 PolarHBondContact O-N 3.17Å; E938-K941 PolarHBondContact O-N 2.81Å; E938-K941 WeakPolarHBondContact OE1-CD 3.36Å; E938-K941 WeakPolarHBondContact OE1-CE 3.33Å; E938-K941 IonicContact OE1-NZ 3.72Å; E938-K941 PolarHBondContact OE1-NZ 3.25Å; E938-K941 VanDerWaalsContact OE2-CD 3.31Å; E938-K941 WeakPolarHBondContact OE2-CD 3.27Å; E938-K941 IonicContact OE2-NZ 3.56Å; K941-S943 PolarHBondContact O-N 2.91Å; K941-S943 VanDerWaalsContact O-N 3.17Å
942D86.4Confident92.9Very high141 Ų14139.1 Ų39.175%0.75420%0.2SC*.SBendtrans-65.6-17.3-179.4-67.5-27.3000114.4E938E938-D942 PolarHBondContact O-N 2.77Å
943S89.6Confident93.1Very high29 Ų2935.9 Ų35.920%0.20319%0.186CC..SBendtrans-83.4136.4-176.6-62.90000112L866 R902 K941L866-S943 VanDerWaalsContact CD2-CB 3.5Å; R902-S943 PolarHBondContact NH1-O 3.34Å; K941-S943 PolarHBondContact O-N 2.91Å; K941-S943 VanDerWaalsContact O-N 3.17Å
944P91.9Very high93.1Very high55 Ų5535.9 Ų35.936%0.35719%0.186SC..PPolyproline II helixtrans-62.5165.417728.5-36.3000112.1F852 R902F852-P944 HydrophobicContact CE1-CG 3.95Å; F852-P944 HydrophobicContact CZ-CB 4.5Å; F852-P944 HydrophobicContact CZ-CG 3.99Å; R902-P944 PolarHBondContact NH2-O 3.4Å
945R92.6Very high93.1Very high38 Ų3834 Ų3414%0.14318%0.179CC..PPolyproline II helixtrans-75.6138.9175.265.4-179.867.4-141.9-3.2110.5Y825 L919Y825-R945 HydrophobicContact CE2-CG 4.44Å; L919-R945 HydrophobicContact CB-CB 4.19Å; L919-R945 HydrophobicContact CD2-CB 4.32Å; L919-R945 WeakPolarHBondContact O-CB 3.28Å
946E94.1Very high93Very high9 Ų932.3 Ų32.34%0.04217%0.166CC..  trans-93.3-24.4179.5-61.1-166-171.200114.3R847 F852 S864 L866 L919 D920R847-E946 WeakPolarHBondContact CD-OE2 3.33Å; R847-E946 HydrophobicContact CG-CB 4.18Å; R847-E946 IonicContact CZ-OE2 2.76Å; R847-E946 IonicContact NE-OE2 2.72Å; R847-E946 IonicContact NH1-OE2 3.69Å; R847-E946 PolarHBondContact NH1-OE2 2.86Å; F852-E946 HydrophobicContact CB-CB 4.5Å; F852-E946 HydrophobicContact CB-CG 4.2Å; F852-E946 HydrophobicContact CD1-CG 3.73Å; F852-E946 HydrophobicContact CD2-CB 4.46Å; F852-E946 HydrophobicContact CD2-CG 4.41Å; F852-E946 HydrophobicContact CE1-CG 4.21Å; F852-E946 HydrophobicContact CG-CB 4.26Å; F852-E946 HydrophobicContact CG-CG 3.84Å; S864-E946 WeakPolarHBondContact CB-OE1 3.4Å; S864-E946 WeakPolarHBondContact CB-OE2 3.42Å; S864-E946 PolarHBondContact OG-OE1 2.74Å; S864-E946 PolarHBondContact OG-OE2 2.79Å; L866-E946 WeakPolarHBondContact CB-OE1 3.34Å; L919-E946 PolarHBondContact O-N 2.9Å; D920-E946 HydrophobicContact CB-CB 4.25Å; D920-E946 PolarHBondContact OD1-N 2.62Å
947A94.8Very high92.7Very high0 Ų032.3 Ų32.30%017%0.167CC..  trans-88.8125.217800000111.3L836 L919 S922 T923L836-A947 HydrophobicContact CD1-CB 3.87Å; L919-A947 WeakPolarHBondContact O-CB 3.13Å; L919-A947 PolarHBondContact O-N 2.98Å; S922-A947 WeakPolarHBondContact O-CB 3.35Å; T923-A947 HydrophobicContact CG2-CB 4.03Å
948M95.5Very high92.2Very high0 Ų033.4 Ų33.40%017%0.169CC..EExtended strand (participates in β ladder)trans-120.1139.8179.1-57.2-177.2177.100110.4Y825 A845 V846 L848 F852 L950 I1000Y825-M948 HydrophobicContact CD1-SD 4.35Å; Y825-M948 HydrophobicContact CD2-CE 3.8Å; Y825-M948 HydrophobicContact CD2-CG 4.44Å; Y825-M948 HydrophobicContact CD2-SD 4.14Å; Y825-M948 HydrophobicContact CE1-CB 4.09Å; Y825-M948 HydrophobicContact CE1-CG 4.1Å; Y825-M948 HydrophobicContact CE1-SD 4.37Å; Y825-M948 HydrophobicContact CE2-CE 3.98Å; Y825-M948 HydrophobicContact CE2-CG 3.88Å; Y825-M948 HydrophobicContact CE2-SD 4.18Å; Y825-M948 HydrophobicContact CG-CE 4.36Å; Y825-M948 HydrophobicContact CG-SD 4.24Å; A845-M948 WeakPolarHBondContact CA-O 3.48Å; V846-M948 HydrophobicContact CG2-CB 4.36Å; V846-M948 PolarHBondContact N-O 2.82Å; V846-M948 PolarHBondContact O-N 3.47Å; 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 4.35Å; L848-M948 HydrophobicContact CG-CE 4.19Å; L848-M948 HydrophobicContact CG-SD 3.71Å; F852-M948 HydrophobicContact CE2-CE 4.02Å; M948-L950 PolarHBondContact O-N 2.99Å; M948-I1000 HydrophobicContact CB-CD1 4.03Å; M948-I1000 HydrophobicContact CG-CD1 4.45Å; M948-I1000 HydrophobicContact SD-CD1 3.65Å
949D95.6Very high92Very high17 Ų1729.5 Ų29.59%0.09115%0.154CC..EExtended strand (participates in β ladder)trans-79.3115.7173.8-170.3-25.5000109T923 R951 T999 I1000T923-D949 HydrophobicContact CG2-CB 4.47Å; D949-R951 VanDerWaalsContact CG-NE 3.34Å; D949-R951 WeakPolarHBondContact OD1-CG 3.36Å; D949-R951 IonicContact OD1-CZ 3.66Å; D949-R951 IonicContact OD1-NE 2.69Å; D949-R951 PolarHBondContact OD1-NE 2.91Å; D949-R951 IonicContact OD1-NH2 2.68Å; D949-R951 IonicContact OD2-CZ 3.72Å; D949-R951 VanDerWaalsContact OD2-CZ 3.29Å; D949-R951 IonicContact OD2-NE 2.73Å; D949-R951 PolarHBondContact OD2-NE 2.82Å; D949-R951 IonicContact OD2-NH2 3.22Å; D949-R951 PolarHBondContact OD2-NH2 3.5Å; D949-T999 WeakPolarHBondContact O-CA 3.34Å; D949-I1000 PolarHBondContact O-N 2.84Å
950L97.1Very high91.9Very high0 Ų024.5 Ų24.50%013%0.129CC..EExtended strand (participates in β ladder)trans-113.7123.4179.9-176.172000109.7I831 F833 A843 L844 V846 M948 I1000 V1002 I1005I831-L950 HydrophobicContact CD1-CD1 4.1Å; F833-L950 HydrophobicContact CD1-CD2 4.3Å; F833-L950 HydrophobicContact CD2-CD2 4.26Å; F833-L950 HydrophobicContact CE1-CD2 3.7Å; F833-L950 HydrophobicContact CE2-CD2 3.64Å; F833-L950 HydrophobicContact CZ-CD2 3.32Å; A843-L950 WeakPolarHBondContact CA-O 3.19Å; L844-L950 PolarHBondContact N-O 3.4Å; L844-L950 PolarHBondContact O-N 2.69Å; V846-L950 HydrophobicContact CB-CB 4.45Å; V846-L950 HydrophobicContact CG1-CB 3.86Å; V846-L950 HydrophobicContact CG1-CD2 3.82Å; V846-L950 HydrophobicContact CG1-CG 4.49Å; V846-L950 HydrophobicContact CG2-CB 3.71Å; V846-L950 HydrophobicContact CG2-CD2 4.13Å; V846-L950 HydrophobicContact CG2-CG 4.44Å; M948-L950 PolarHBondContact O-N 2.99Å; L950-I1000 HydrophobicContact CD1-CB 3.8Å; L950-I1000 HydrophobicContact CD1-CG2 3.62Å; L950-V1002 HydrophobicContact CD1-CG1 3.71Å; L950-V1002 HydrophobicContact CD1-CG2 4.08Å; L950-V1002 HydrophobicContact CG-CG2 4.28Å; L950-I1005 HydrophobicContact CD2-CD1 3.65Å; L950-I1005 HydrophobicContact CD2-CG1 4.24Å; L950-I1005 HydrophobicContact CG-CD1 4.33Å
951R96.4Very high91.5Very high40 Ų4027.6 Ų27.615%0.15115%0.146CC..EExtended strand (participates in β ladder)trans-125.6139.5-175.5-56.5-169.5-176.9-177.7-1112.8A842 A843 D949 L953 T999 I1000 F1001 V1002A842-R951 VanDerWaalsContact O-CA 3.26Å; A842-R951 WeakPolarHBondContact O-CA 3.43Å; A843-R951 HydrophobicContact CB-CG 4.04Å; D949-R951 VanDerWaalsContact CG-NE 3.34Å; D949-R951 WeakPolarHBondContact OD1-CG 3.36Å; D949-R951 IonicContact OD1-CZ 3.66Å; D949-R951 IonicContact OD1-NE 2.69Å; D949-R951 PolarHBondContact OD1-NE 2.91Å; D949-R951 IonicContact OD1-NH2 2.68Å; D949-R951 IonicContact OD2-CZ 3.72Å; D949-R951 VanDerWaalsContact OD2-CZ 3.29Å; D949-R951 IonicContact OD2-NE 2.73Å; D949-R951 PolarHBondContact OD2-NE 2.82Å; D949-R951 IonicContact OD2-NH2 3.22Å; D949-R951 PolarHBondContact OD2-NH2 3.5Å; R951-L953 PolarHBondContact O-N 3.26Å; R951-T999 HydrophobicContact CB-CG2 4.41Å; R951-T999 HydrophobicContact CG-CG2 3.82Å; R951-I1000 PolarHBondContact N-O 3.49Å; R951-F1001 HydrophobicContact CB-CD1 4.24Å; R951-F1001 HydrophobicContact CB-CE1 4.29Å; R951-V1002 WeakPolarHBondContact O-CG2 3.49Å; R951-V1002 PolarHBondContact O-N 2.92Å
952I96.7Very high91.5Very high6 Ų626.1 Ų26.13%0.03114%0.138CC..EExtended strand (participates in β ladder)trans-77.8111.6168.3-58.3-178.5000107.5A842 G954 L955 V1002 I1005 L1013 L1014A842-I952 PolarHBondContact O-N 3.3Å; I952-G954 PolarHBondContact O-N 2.88Å; 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 3.75Å; I952-L955 HydrophobicContact CG2-CD2 3.86Å; I952-L955 HydrophobicContact CG2-CG 4.45Å; I952-L955 PolarHBondContact O-N 3.36Å; I952-V1002 WeakPolarHBondContact CA-O 3.43Å; I952-I1005 HydrophobicContact CG1-CD1 4.3Å; I952-I1005 HydrophobicContact CG1-CG1 4.45Å; I952-L1013 HydrophobicContact CD1-CD2 4.03Å; I952-L1013 HydrophobicContact CD1-CG 4.12Å; I952-L1014 HydrophobicContact CG2-CD1 4.24Å
953L95.6Very high91.5Very high21 Ų2125.3 Ų25.311%0.1113%0.133CC..THydrogen-bonded Turntrans-53.1128.3-178.2179.169.4000110.9R951 L955 F1001 V1002 Q1025 C1029 Q1030 L1033R951-L953 PolarHBondContact O-N 3.26Å; L953-L955 PolarHBondContact O-N 2.73Å; L953-L955 VanDerWaalsContact O-N 3.12Å; L953-F1001 HydrophobicContact CD1-CB 4.37Å; L953-F1001 HydrophobicContact CD1-CD1 4.02Å; L953-F1001 HydrophobicContact CD1-CG 4.4Å; L953-V1002 WeakPolarHBondContact CB-O 3.13Å; L953-V1002 PolarHBondContact N-O 2.99Å; L953-Q1025 PolarHBondContact O-NE2 2.86Å; L953-C1029 HydrophobicContact CD1-CB 4.06Å; L953-C1029 HydrophobicContact CG-CB 4.34Å; L953-Q1030 HydrophobicContact CD1-CB 4.46Å; L953-Q1030 HydrophobicContact CD2-CB 4.18Å; L953-L1033 HydrophobicContact CD1-CD1 3.73Å
954G93.7Very high91.3Very high1 Ų125.4 Ų25.41%0.0113%0.129CC..THydrogen-bonded Turntrans74.8-12.9174.400000117.1I952 Q956 D1026 C1029I952-G954 PolarHBondContact O-N 2.88Å; G954-Q956 PolarHBondContact O-N 2.85Å; G954-Q956 PolarHBondContact O-NE2 3.41Å; G954-D1026 PolarHBondContact O-N 3.25Å; G954-C1029 VanDerWaalsContact CA-CB 3.47Å; G954-C1029 PolarHBondContact N-SG 3.45Å; G954-C1029 VanDerWaalsContact N-SG 3.42Å
955L95.4Very high90.7Very high0 Ų024.9 Ų24.90%013%0.125CC..EExtended strand (participates in β ladder)trans-76110-174.8-177.960.3000111.4A842 I952 L953 W964 L1014 V1017 I1018A842-L955 HydrophobicContact CB-CB 3.99Å; A842-L955 HydrophobicContact CB-CD2 3.92Å; A842-L955 HydrophobicContact CB-CG 3.93Å; A842-L955 VanDerWaalsContact CB-O 3.28Å; A842-L955 WeakPolarHBondContact CB-O 3.21Å; 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 3.75Å; I952-L955 HydrophobicContact CG2-CD2 3.86Å; I952-L955 HydrophobicContact CG2-CG 4.45Å; I952-L955 PolarHBondContact O-N 3.36Å; L953-L955 PolarHBondContact O-N 2.73Å; L953-L955 VanDerWaalsContact O-N 3.12Å; L955-W964 HydrophobicContact CD1-CH2 4.41Å; L955-W964 HydrophobicContact CD1-CZ2 4.48Å; L955-W964 HydrophobicContact CG-CH2 4.38Å; L955-W964 HydrophobicContact CG-CZ2 4.05Å; L955-L1014 HydrophobicContact CD1-CD1 3.81Å; L955-L1014 HydrophobicContact CD2-CD1 3.83Å; L955-L1014 HydrophobicContact CG-CD1 4.25Å; L955-V1017 HydrophobicContact CD1-CG1 4.47Å; L955-V1017 HydrophobicContact CD2-CG1 4.25Å; L955-I1018 HydrophobicContact CD1-CG1 4.49Å
956Q91.9Very high90.1Very high0 Ų027.3 Ų27.30%014%0.141CC..EExtended strand (participates in β ladder)trans-133.2154.8-178.274.8-156.9-100.900111.6F800 G954 R962 S1023 H1024 D1026F800-Q956 HydrophobicContact CE1-CB 3.88Å; F800-Q956 HydrophobicContact CZ-CB 4.03Å; G954-Q956 PolarHBondContact O-N 2.85Å; G954-Q956 PolarHBondContact O-NE2 3.41Å; Q956-R962 HydrophobicContact CB-CG 4.5Å; Q956-S1023 CarbonylContact O-C 3.59Å; Q956-S1023 VanDerWaalsContact O-CA 3.28Å; Q956-S1023 WeakPolarHBondContact O-CA 3.38Å; Q956-S1023 WeakPolarHBondContact O-CB 3.33Å; Q956-H1024 PolarHBondContact N-O 3.19Å; Q956-H1024 PolarHBondContact O-N 3.09Å; Q956-D1026 VanDerWaalsContact NE2-CB 3.27Å
957P89Confident89.3Confident6 Ų628.4 Ų28.44%0.03915%0.147CC..EExtended strand (participates in β ladder)trans-74.5163.4174.132.2-31.1000110.4S959 R962 I963 W964 R1022P957-S959 PolarHBondContact O-N 3.23Å; P957-R962 VanDerWaalsContact CG-C 3.49Å; P957-I963 WeakPolarHBondContact CG-O 3.27Å; P957-W964 HydrophobicContact CB-CD2 3.94Å; P957-W964 HydrophobicContact CB-CE3 3.99Å; P957-W964 HydrophobicContact CB-CG 4.42Å; P957-W964 HydrophobicContact CB-CZ3 4.35Å; P957-W964 HydrophobicContact CG-CD2 4.09Å; P957-W964 HydrophobicContact CG-CG 4.15Å; P957-R1022 WeakPolarHBondContact CA-O 3.48Å
958E81.8Confident88.7Confident66 Ų6628.4 Ų28.431%0.30815%0.147SC..SBendtrans-73.354.4176.7-68.2-172.6144.500113.5M761 R1022M761-E958 HydrophobicContact CE-CB 3.76Å; M761-E958 HydrophobicContact CE-CG 4.14Å; E958-R1022 HydrophobicContact CB-CB 4.19Å; E958-R1022 HydrophobicContact CG-CB 4.11Å; E958-R1022 PolarHBondContact N-O 2.88Å; E958-R1022 VanDerWaalsContact OE2-CB 3.28Å; E958-R1022 WeakPolarHBondContact OE2-CB 3.47Å; E958-R1022 WeakPolarHBondContact OE2-CD 3.49Å; E958-R1022 WeakPolarHBondContact OE2-CG 3.21Å
959S84.3Confident88.4Confident34 Ų3432.4 Ų32.424%0.23816%0.163CC..SBendtrans-144147.4177.168.70000112.2P957 D961 R962P957-S959 PolarHBondContact O-N 3.23Å; S959-D961 VanDerWaalsContact C-N 3.33Å; S959-R962 WeakPolarHBondContact O-CG 3.43Å; S959-R962 PolarHBondContact O-N 3.04Å; S959-R962 PolarHBondContact OG-N 3.18Å
960L86.8Confident87.9Confident1 Ų133.6 Ų33.61%0.00517%0.169CC..THydrogen-bonded Turntrans-69.7-30.7178.1-61.1-168.9000112.8W754 D758 M761 L772 Q796 L804 R962W754-L960 HydrophobicContact CD2-CD1 3.99Å; W754-L960 HydrophobicContact CG-CD1 4.24Å; W754-L960 HydrophobicContact CZ2-CB 3.95Å; W754-L960 HydrophobicContact CZ2-CD1 3.91Å; D758-L960 HydrophobicContact CB-CD1 3.9Å; M761-L960 HydrophobicContact CG-CD2 4.05Å; L772-L960 HydrophobicContact CD2-CD2 3.64Å; Q796-L960 PolarHBondContact NE2-O 3.18Å; Q796-L960 VanDerWaalsContact NE2-O 3.08Å; L804-L960 HydrophobicContact CD1-CD2 4.46Å; L960-R962 PolarHBondContact O-N 2.71Å
961D83.4Confident87.3Confident69 Ų6935.1 Ų35.137%0.36918%0.177SC..THydrogen-bonded Turntrans-70.3-17.3174.2-55.6-54.3000112.2Q796 S959 I963Q796-D961 PolarHBondContact NE2-O 3.5Å; S959-D961 VanDerWaalsContact C-N 3.33Å; D961-I963 HydrophobicContact CB-CD1 4.12Å; D961-I963 HydrophobicContact CB-CG1 4.09Å; D961-I963 PolarHBondContact O-N 3.08Å
962R88.8Confident86.9Confident15 Ų1533.2 Ų33.26%0.05717%0.169CC..  trans56.925.3-179.5-60.1179.5170.3151.6-23.7114.3F800 D802 Q956 P957 S959 L960F800-R962 VanDerWaalsContact CD2-CD 3.44Å; F800-R962 HydrophobicContact CE2-CB 4.16Å; F800-R962 VanDerWaalsContact CE2-CD 3.4Å; F800-R962 HydrophobicContact CE2-CG 4.41Å; D802-R962 PolarHBondContact O-NH1 3.32Å; D802-R962 IonicContact OD1-CZ 2.69Å; D802-R962 IonicContact OD1-NH1 2.69Å; D802-R962 PolarHBondContact OD1-NH1 3.38Å; D802-R962 IonicContact OD1-NH2 3.49Å; D802-R962 PolarHBondContact OD1-NH2 2.85Å; D802-R962 IonicContact OD2-NH2 2.75Å; D802-R962 PolarHBondContact OD2-NH2 3.29Å; Q956-R962 HydrophobicContact CB-CG 4.5Å; P957-R962 VanDerWaalsContact CG-C 3.49Å; S959-R962 WeakPolarHBondContact O-CG 3.43Å; S959-R962 PolarHBondContact O-N 3.04Å; S959-R962 PolarHBondContact OG-N 3.18Å; L960-R962 PolarHBondContact O-N 2.71Å
963I85.8Confident86.6Confident124 Ų12438 Ų3864%0.63619%0.187SC*.PPolyproline II helixtrans-85.8126.1177.4-58.1175.2000109P957 D961P957-I963 WeakPolarHBondContact CG-O 3.27Å; D961-I963 HydrophobicContact CB-CD1 4.12Å; D961-I963 HydrophobicContact CB-CG1 4.09Å; D961-I963 PolarHBondContact O-N 3.08Å
964W86.4Confident86Confident32 Ų3243.1 Ų43.112%0.12121%0.208CC..PPolyproline II helixtrans-81141.2171.9-7094.6000110.7S840 P841 A842 L955 P957 A968 V1017 F1021 S1023S840-W964 VanDerWaalsContact CB-CD1 3.49Å; P841-W964 HydrophobicContact CB-CD2 4.2Å; P841-W964 HydrophobicContact CB-CE3 4.06Å; P841-W964 HydrophobicContact CB-CH2 3.98Å; P841-W964 HydrophobicContact CB-CZ2 4.16Å; P841-W964 HydrophobicContact CB-CZ3 3.94Å; P841-W964 HydrophobicContact CG-CD2 3.89Å; P841-W964 HydrophobicContact CG-CE3 3.61Å; P841-W964 HydrophobicContact CG-CG 4.42Å; P841-W964 HydrophobicContact CG-CH2 4.43Å; P841-W964 HydrophobicContact CG-CZ3 3.91Å; A842-W964 HydrophobicContact CB-CZ2 4.11Å; L955-W964 HydrophobicContact CD1-CH2 4.41Å; L955-W964 HydrophobicContact CD1-CZ2 4.48Å; L955-W964 HydrophobicContact CG-CH2 4.38Å; L955-W964 HydrophobicContact CG-CZ2 4.05Å; P957-W964 HydrophobicContact CB-CD2 3.94Å; P957-W964 HydrophobicContact CB-CE3 3.99Å; P957-W964 HydrophobicContact CB-CG 4.42Å; P957-W964 HydrophobicContact CB-CZ3 4.35Å; P957-W964 HydrophobicContact CG-CD2 4.09Å; P957-W964 HydrophobicContact CG-CG 4.15Å; W964-A968 HydrophobicContact CE3-CB 4.29Å; W964-V1017 HydrophobicContact CH2-CG1 3.7Å; W964-V1017 HydrophobicContact CZ3-CG1 4.07Å; W964-F1021 HydrophobicContact CZ3-CB 4.15Å; W964-S1023 VanDerWaalsContact CH2-CB 3.43Å
965P79.5Confident85.6Confident43 Ų4345.1 Ų45.128%0.27922%0.219SC..PPolyproline II helixtrans-71.6149.1174.830.4-34.2000111.3D967 A968 R969P965-D967 PolarHBondContact O-N 2.9Å; P965-A968 HydrophobicContact CG-CB 3.96Å; P965-A968 WeakPolarHBondContact O-CB 3.49Å; P965-A968 PolarHBondContact O-N 2.74Å; P965-R969 PolarHBondContact O-N 2.97Å
966D80.1Confident85.2Confident89 Ų8945.5 Ų45.548%0.47622%0.221SC..Hα-helixtrans-57.6-33.4179.8-89.8-51.7000113.7A968 R969 N970D966-A968 VanDerWaalsContact C-N 3.29Å; D966-A968 PolarHBondContact O-N 2.87Å; D966-R969 PolarHBondContact O-N 2.75Å; D966-R969 IonicContact OD1-CZ 2.88Å; D966-R969 IonicContact OD1-NE 2.73Å; D966-R969 PolarHBondContact OD1-NE 3.28Å; D966-R969 IonicContact OD1-NH2 3.79Å; D966-R969 PolarHBondContact OD1-NH2 2.96Å; D966-N970 VanDerWaalsContact O-CB 3.22Å; D966-N970 WeakPolarHBondContact O-CB 3.47Å; D966-N970 PolarHBondContact O-N 3.25Å; D966-N970 PolarHBondContact O-ND2 2.96Å
967D76Confident84.9Confident32 Ų3246.6 Ų46.617%0.17123%0.226CC..Hα-helixtrans-59-38.5173.7-91.312.7000112.6L546 P547 P965 N970 L971L546-D967 WeakPolarHBondContact CA-OD2 3.44Å; P547-D967 HydrophobicContact CG-CB 4.37Å; P965-D967 PolarHBondContact O-N 2.9Å; D967-N970 PolarHBondContact O-N 3.5Å; D967-L971 WeakPolarHBondContact O-CB 3.37Å; D967-L971 PolarHBondContact O-N 3.05Å
968A83.9Confident84.3Confident0 Ų054.9 Ų54.90%026%0.256CS..Hα-helixtrans-71.3-44.2179.600000111.3P841 W964 P965 D966 N970 L971 V972 F1021P841-A968 HydrophobicContact CG-CB 3.79Å; W964-A968 HydrophobicContact CE3-CB 4.29Å; P965-A968 HydrophobicContact CG-CB 3.96Å; P965-A968 WeakPolarHBondContact O-CB 3.49Å; P965-A968 PolarHBondContact O-N 2.74Å; D966-A968 VanDerWaalsContact C-N 3.29Å; D966-A968 PolarHBondContact O-N 2.87Å; A968-N970 PolarHBondContact O-N 3.49Å; A968-L971 PolarHBondContact O-N 2.98Å; A968-V972 WeakPolarHBondContact O-CB 3.48Å; A968-V972 WeakPolarHBondContact O-CG2 3.47Å; A968-V972 PolarHBondContact O-N 3.32Å; A968-F1021 VanDerWaalsContact CA-CE1 3.49Å; A968-F1021 HydrophobicContact CB-CD1 3.63Å; A968-F1021 HydrophobicContact CB-CD2 4.39Å; A968-F1021 HydrophobicContact CB-CE1 3.46Å; A968-F1021 VanDerWaalsContact CB-CE1 3.46Å; A968-F1021 HydrophobicContact CB-CE2 4.25Å; A968-F1021 HydrophobicContact CB-CG 4.1Å; A968-F1021 HydrophobicContact CB-CZ 3.79Å
969R88.3Confident83Confident85 Ų8558.3 Ų58.332%0.32127%0.266SS..Hα-helixtrans-56.2-47.8170.8177.6174.378.5140.6-8.2111.5C838 Y839 P965 D966 R973C838-R969 WeakPolarHBondContact O-CG 3.42Å; Y839-R969 WeakPolarHBondContact O-CD 3.41Å; P965-R969 PolarHBondContact O-N 2.97Å; D966-R969 PolarHBondContact O-N 2.75Å; D966-R969 IonicContact OD1-CZ 2.88Å; D966-R969 IonicContact OD1-NE 2.73Å; D966-R969 PolarHBondContact OD1-NE 3.28Å; D966-R969 IonicContact OD1-NH2 3.79Å; D966-R969 PolarHBondContact OD1-NH2 2.96Å; R969-R973 WeakPolarHBondContact O-CB 3.4Å; R969-R973 PolarHBondContact O-N 2.95Å
970N84.5Confident81.3Confident41 Ų4159.4 Ų59.422%0.21927%0.272CS..Hα-helixtrans-68.9-38.9-178.9-82.1-53.8000113.1D966 D967 A968 R973 K974D966-N970 VanDerWaalsContact O-CB 3.22Å; D966-N970 WeakPolarHBondContact O-CB 3.47Å; D966-N970 PolarHBondContact O-N 3.25Å; D966-N970 PolarHBondContact O-ND2 2.96Å; D967-N970 PolarHBondContact O-N 3.5Å; A968-N970 PolarHBondContact O-N 3.49Å; N970-R973 PolarHBondContact OD1-NH2 3.39Å; N970-K974 WeakPolarHBondContact O-CB 3.44Å; N970-K974 VanDerWaalsContact O-CG 3.27Å; N970-K974 WeakPolarHBondContact O-CG 3.49Å; N970-K974 PolarHBondContact O-N 3.04Å
971L84.4Confident79.3Confident32 Ų3267.2 Ų67.217%0.16831%0.308CS..Hα-helixtrans-68.7-49.8177.4-168.7159.7000109.9N548 D967 A968 R973 K974 D975 F1016 F1021N548-L971 WeakPolarHBondContact ND2-CD1 3.3Å; D967-L971 WeakPolarHBondContact O-CB 3.37Å; D967-L971 PolarHBondContact O-N 3.05Å; A968-L971 PolarHBondContact O-N 2.98Å; L971-R973 VanDerWaalsContact C-N 3.28Å; L971-R973 PolarHBondContact O-N 3.47Å; L971-K974 PolarHBondContact O-N 2.89Å; L971-D975 HydrophobicContact CD2-CB 3.94Å; L971-D975 HydrophobicContact CG-CB 4.48Å; L971-D975 WeakPolarHBondContact CG-OD2 3.45Å; L971-D975 VanDerWaalsContact O-CB 3.31Å; L971-D975 WeakPolarHBondContact O-CB 3.29Å; L971-D975 PolarHBondContact O-N 2.96Å; L971-F1016 HydrophobicContact CD2-CE1 3.63Å; L971-F1016 HydrophobicContact CD2-CZ 3.53Å; L971-F1021 HydrophobicContact CB-CZ 4.05Å; L971-F1021 HydrophobicContact CD1-CE1 4.48Å; L971-F1021 HydrophobicContact CD1-CZ 4.16Å; L971-F1021 HydrophobicContact CD2-CZ 3.97Å; L971-F1021 HydrophobicContact CG-CZ 4.27Å
972V89.7Confident77.5Confident0 Ų071.9 Ų71.90%033%0.333CS..Iπ-helixtrans-55.9-43.5174.2169.90000111.4P841 A968 K974 F976 F977 L1013 F1016 V1017 F1021P841-V972 HydrophobicContact CB-CG2 4.1Å; P841-V972 HydrophobicContact CG-CG2 4.04Å; A968-V972 WeakPolarHBondContact O-CB 3.48Å; A968-V972 WeakPolarHBondContact O-CG2 3.47Å; A968-V972 PolarHBondContact O-N 3.32Å; V972-K974 VanDerWaalsContact C-N 3.34Å; V972-K974 PolarHBondContact O-N 3.45Å; V972-F976 HydrophobicContact CG1-CB 4.39Å; V972-F976 WeakPolarHBondContact O-CB 3.41Å; V972-F976 PolarHBondContact O-N 3.14Å; V972-F977 HydrophobicContact CG1-CD2 3.88Å; V972-F977 HydrophobicContact CG1-CE2 3.49Å; V972-F977 VanDerWaalsContact CG1-CE2 3.49Å; V972-F977 HydrophobicContact CG1-CZ 4.25Å; V972-F977 PolarHBondContact O-N 3Å; V972-F977 VanDerWaalsContact O-N 3.11Å; V972-L1013 HydrophobicContact CG1-CD1 3.78Å; V972-L1013 HydrophobicContact CG2-CD1 4.49Å; V972-F1016 HydrophobicContact CG2-CD1 4.27Å; V972-F1016 HydrophobicContact CG2-CE1 4.03Å; V972-V1017 HydrophobicContact CG2-CG2 3.91Å; V972-F1021 HydrophobicContact CG2-CE2 4.03Å
973R88.6Confident75.9Confident108 Ų10876.3 Ų76.341%0.40835%0.352SS..Iπ-helixtrans-63.6-30.2176-175.1172.767.9140.8-3.7114.4C838 R969 N970 L971 R978C838-R973 HydrophobicContact CB-CB 4.44Å; R969-R973 WeakPolarHBondContact O-CB 3.4Å; R969-R973 PolarHBondContact O-N 2.95Å; N970-R973 PolarHBondContact OD1-NH2 3.39Å; L971-R973 VanDerWaalsContact C-N 3.28Å; L971-R973 PolarHBondContact O-N 3.47Å; R973-R978 WeakPolarHBondContact O-CB 3.49Å; R973-R978 WeakPolarHBondContact O-CD 3.41Å; R973-R978 VanDerWaalsContact O-CG 3.22Å; R973-R978 WeakPolarHBondContact O-CG 3.48Å
974K84.1Confident74.5Confident127 Ų12780.8 Ų80.855%0.55236%0.361SS*.Iπ-helixtrans-92.9-38-179.9-75.7176.9178.7-178.60113.4N970 L971 V972 R978N970-K974 WeakPolarHBondContact O-CB 3.44Å; N970-K974 VanDerWaalsContact O-CG 3.27Å; N970-K974 WeakPolarHBondContact O-CG 3.49Å; N970-K974 PolarHBondContact O-N 3.04Å; L971-K974 PolarHBondContact O-N 2.89Å; V972-K974 VanDerWaalsContact C-N 3.34Å; V972-K974 PolarHBondContact O-N 3.45Å; K974-R978 VanDerWaalsContact O-CB 3.26Å; K974-R978 WeakPolarHBondContact O-CB 3.3Å
975D83.9Confident73.4Confident44 Ų4483.7 Ų83.724%0.23538%0.379CS..Iπ-helixtrans-107.4-23-165.6-73.2-22.1000114.2L971 R979 F1016L971-D975 HydrophobicContact CD2-CB 3.94Å; L971-D975 HydrophobicContact CG-CB 4.48Å; L971-D975 WeakPolarHBondContact CG-OD2 3.45Å; L971-D975 VanDerWaalsContact O-CB 3.31Å; L971-D975 WeakPolarHBondContact O-CB 3.29Å; L971-D975 PolarHBondContact O-N 2.96Å; D975-R979 WeakPolarHBondContact O-CB 3.47Å; D975-R979 WeakPolarHBondContact O-CD 3.42Å; D975-R979 WeakPolarHBondContact O-CG 3.4Å; D975-R979 IonicContact OD1-CZ 3.11Å; D975-R979 IonicContact OD1-NE 3Å; D975-R979 PolarHBondContact OD1-NE 3.43Å; D975-R979 IonicContact OD1-NH2 3.89Å; D975-R979 PolarHBondContact OD1-NH2 3Å; D975-R979 IonicContact OD2-CZ 3.07Å; D975-R979 IonicContact OD2-NH2 2.62Å; D975-R979 PolarHBondContact OD2-NH2 3.39Å; D975-R979 VanDerWaalsContact OD2-NH2 3.13Å; D975-F1016 HydrophobicContact CB-CE2 4.28Å; D975-F1016 HydrophobicContact CB-CZ 3.7Å
976F87.7Confident73.3Confident7 Ų782.7 Ų82.73%0.03137%0.37CS..Iπ-helixtrans-100.7-61.1170.5-167.6-89.3000110.6V972 R978 R986 F988 D1007 N1011 L1013 F1016V972-F976 HydrophobicContact CG1-CB 4.39Å; V972-F976 WeakPolarHBondContact O-CB 3.41Å; V972-F976 PolarHBondContact O-N 3.14Å; F976-R978 VanDerWaalsContact C-N 3.32Å; F976-R978 PolarHBondContact O-N 3.36Å; F976-R986 PolarHBondContact O-NH1 3.48Å; F976-F988 HydrophobicContact CD1-CE1 4.37Å; F976-F988 HydrophobicContact CE1-CD1 4.19Å; F976-F988 AromaticContact CE1-CE1 4Å; F976-F988 HydrophobicContact CE1-CE1 4Å; F976-D1007 HydrophobicContact CZ-CB 4.49Å; F976-N1011 HydrophobicContact CE2-CB 3.96Å; F976-N1011 HydrophobicContact CZ-CB 4.42Å; F976-N1011 WeakPolarHBondContact CZ-O 3.48Å; F976-L1013 HydrophobicContact CB-CD1 4.19Å; F976-L1013 HydrophobicContact CD1-CB 4.37Å; F976-L1013 HydrophobicContact CD1-CD1 3.85Å; F976-L1013 HydrophobicContact CD1-CG 4.47Å; F976-L1013 HydrophobicContact CD2-CD1 4.05Å; F976-L1013 HydrophobicContact CE1-CB 3.87Å; F976-L1013 HydrophobicContact CE1-CD1 4.24Å; F976-L1013 HydrophobicContact CE1-CD2 4.48Å; F976-L1013 HydrophobicContact CE1-CG 4.41Å; F976-L1013 HydrophobicContact CE2-CB 4.03Å; F976-L1013 HydrophobicContact CE2-CD1 4.42Å; F976-L1013 HydrophobicContact CG-CD1 3.75Å; F976-L1013 HydrophobicContact CZ-CB 3.68Å; F976-F1016 HydrophobicContact CB-CD1 4.29Å; F976-F1016 HydrophobicContact CB-CE1 4.25Å; F976-F1016 HydrophobicContact CB-CE2 4.49Å; F976-F1016 HydrophobicContact CB-CG 4.46Å; F976-F1016 HydrophobicContact CB-CZ 4.35Å; F976-F1016 HydrophobicContact CD2-CB 3.91Å; F976-F1016 HydrophobicContact CD2-CD1 4.37Å; F976-F1016 AromaticContact CD2-CD2 3.92Å; F976-F1016 HydrophobicContact CD2-CD2 3.92Å; F976-F1016 AromaticContact CD2-CG 3.82Å; F976-F1016 HydrophobicContact CD2-CG 3.82Å; F976-F1016 HydrophobicContact CE2-CB 4.29Å
977F86.2Confident73.6Confident24 Ų2481.9 Ų81.911%0.10536%0.363CS..SBendtrans-73.4-17.4-174.9-61.7-52.9000114.9V835 C838 L844 V972 F988 L1013V835-F977 HydrophobicContact CG2-CD1 3.98Å; V835-F977 HydrophobicContact CG2-CE1 3.78Å; V835-F977 HydrophobicContact CG2-CZ 4.3Å; C838-F977 HydrophobicContact CB-CD2 4.17Å; C838-F977 HydrophobicContact CB-CE2 4.09Å; L844-F977 HydrophobicContact CD1-CE1 4.29Å; L844-F977 HydrophobicContact CD1-CE2 4.36Å; L844-F977 HydrophobicContact CD1-CZ 3.62Å; L844-F977 HydrophobicContact CD2-CE2 3.61Å; L844-F977 HydrophobicContact CD2-CZ 3.71Å; L844-F977 HydrophobicContact CG-CZ 4.35Å; V972-F977 HydrophobicContact CG1-CD2 3.88Å; V972-F977 HydrophobicContact CG1-CE2 3.49Å; V972-F977 VanDerWaalsContact CG1-CE2 3.49Å; V972-F977 HydrophobicContact CG1-CZ 4.25Å; V972-F977 PolarHBondContact O-N 3Å; V972-F977 VanDerWaalsContact O-N 3.11Å; F977-F988 HydrophobicContact CD1-CD1 4.27Å; F977-F988 AromaticContact CD1-CE1 3.71Å; F977-F988 HydrophobicContact CD1-CE1 3.71Å; F977-F988 HydrophobicContact CD1-CE2 4.22Å; F977-F988 AromaticContact CD1-CZ 3.7Å; F977-F988 HydrophobicContact CD1-CZ 3.7Å; F977-F988 HydrophobicContact CE1-CD1 4.33Å; F977-F988 HydrophobicContact CE1-CE1 4.2Å; F977-L1013 HydrophobicContact CE1-CD2 4.19Å; F977-L1013 HydrophobicContact CZ-CD2 3.62Å
978R75.3Confident74.4Confident180 Ų18080.7 Ų80.768%0.67936%0.356SS*.SBendtrans-118.1-4.6-175.1-85.6-176.7178.7-153.40.6116.2R973 K974 F976R973-R978 WeakPolarHBondContact O-CB 3.49Å; R973-R978 WeakPolarHBondContact O-CD 3.41Å; R973-R978 VanDerWaalsContact O-CG 3.22Å; R973-R978 WeakPolarHBondContact O-CG 3.48Å; K974-R978 VanDerWaalsContact O-CB 3.26Å; K974-R978 WeakPolarHBondContact O-CB 3.3Å; F976-R978 VanDerWaalsContact C-N 3.32Å; F976-R978 PolarHBondContact O-N 3.36Å
979R54.9Low75Confident137 Ų13783.6 Ų83.652%0.51737%0.37SS..  trans-76.1170.1174-82.6-175.4-166.2-164.52.5111.9D975 R986D975-R979 WeakPolarHBondContact O-CB 3.47Å; D975-R979 WeakPolarHBondContact O-CD 3.42Å; D975-R979 WeakPolarHBondContact O-CG 3.4Å; D975-R979 IonicContact OD1-CZ 3.11Å; D975-R979 IonicContact OD1-NE 3Å; D975-R979 PolarHBondContact OD1-NE 3.43Å; D975-R979 IonicContact OD1-NH2 3.89Å; D975-R979 PolarHBondContact OD1-NH2 3Å; D975-R979 IonicContact OD2-CZ 3.07Å; D975-R979 IonicContact OD2-NH2 2.62Å; D975-R979 PolarHBondContact OD2-NH2 3.39Å; D975-R979 VanDerWaalsContact OD2-NH2 3.13Å; R979-R986 PolarHBondContact O-NH1 3.33Å
980T48.2Very low75.4Confident58 Ų5879.5 Ų79.536%0.35636%0.355SS..SBendtrans58.994.7-179.949.70000117.6E1009T980-E1009 PolarHBondContact OG1-OE1 3.17Å; T980-E1009 PolarHBondContact OG1-OE2 3.31Å
981H44.5Very low76Confident164 Ų16481 Ų8176%0.75937%0.365SS*.THydrogen-bonded Turntrans41.2103.7148.7-56.8-80.3000120.2K983H981-K983 PolarHBondContact O-N 2.86Å
982N47.7Very low76.6Confident167 Ų16779.8 Ų79.889%0.89336%0.359SS*.THydrogen-bonded Turntrans52.5-9.1149.8-68.5-3000120.5R984N982-R984 PolarHBondContact O-N 2.88Å
983K54.1Low76.8Confident109 Ų10982.9 Ų82.947%0.47437%0.373SS..  trans-67.592.9175.6-69.6172.8-177170.10109H981 N985 R986 E1009H981-K983 PolarHBondContact O-N 2.86Å; K983-N985 PolarHBondContact O-N 3.25Å; K983-N985 VanDerWaalsContact O-N 3.08Å; K983-R986 HydrophobicContact CB-CG 3.99Å; K983-E1009 IonicContact NZ-OE1 3.92Å; K983-E1009 PolarHBondContact NZ-OE1 3.08Å
984R56.6Low77.1Confident217 Ų21778.5 Ų78.582%0.81936%0.359SS*.SBendtrans-55.5-26.7177.3-69.9-177.8176.1177.8-1.8112.4R857 N982R857-R984 VanDerWaalsContact CZ-O 3.26Å; R857-R984 PolarHBondContact NH2-O 3.49Å; N982-R984 PolarHBondContact O-N 2.88Å
985N62.3Low77.5Confident94 Ų9473.1 Ų73.150%0.50334%0.339SS..SBendtrans-120.189.2173.1-61.5-12.3000109.6R857 K983R857-N985 PolarHBondContact NE-OD1 2.88Å; R857-N985 PolarHBondContact NH2-OD1 3.32Å; K983-N985 PolarHBondContact O-N 3.25Å; K983-N985 VanDerWaalsContact O-N 3.08Å
986R78.1Confident77.9Confident21 Ų2171.7 Ų71.78%0.07933%0.331CS..  trans-81137160-62.6-175.279.1-1483.6108.4L834 F976 R979 K983 F988 D1007L834-R986 WeakPolarHBondContact CD1-O 3.29Å; F976-R986 PolarHBondContact O-NH1 3.48Å; R979-R986 PolarHBondContact O-NH1 3.33Å; K983-R986 HydrophobicContact CB-CG 3.99Å; R986-F988 HydrophobicContact CB-CE2 4.19Å; R986-F988 HydrophobicContact CB-CZ 4.25Å; R986-D1007 IonicContact CZ-OD2 3.96Å; R986-D1007 IonicContact NH2-OD2 3.22Å; R986-D1007 PolarHBondContact NH2-OD2 2.81Å
987Q85.5Confident77.9Confident72 Ų7273.8 Ų73.834%0.33634%0.34SS..  trans-103.1162.2168.5-71.4-172.2-5.500110.2D1008Q987-D1008 WeakPolarHBondContact CB-OD1 3.43Å; Q987-D1008 PolarHBondContact N-OD2 3.39Å
988F93.8Very high78Confident7 Ų776 Ų763%0.03135%0.348CS..EExtended strand (participates in β ladder)trans-133.7150.2175.8-60-87000108.2R832 F833 V835 F976 F977 R986 I1005 Y1006 D1007R832-F988 WeakPolarHBondContact CA-O 3.41Å; F833-F988 WeakPolarHBondContact CD1-O 3.43Å; F833-F988 HydrophobicContact CD2-CB 4.03Å; F833-F988 HydrophobicContact CE1-CB 4.36Å; F833-F988 HydrophobicContact CE2-CB 3.55Å; F833-F988 HydrophobicContact CE2-CG 4.46Å; F833-F988 HydrophobicContact CZ-CB 3.75Å; F833-F988 PolarHBondContact N-O 2.94Å; F833-F988 PolarHBondContact O-N 3.17Å; V835-F988 HydrophobicContact CG2-CD2 3.84Å; V835-F988 HydrophobicContact CG2-CE2 4.21Å; V835-F988 HydrophobicContact CG2-CG 4.32Å; F976-F988 HydrophobicContact CD1-CE1 4.37Å; F976-F988 HydrophobicContact CE1-CD1 4.19Å; F976-F988 AromaticContact CE1-CE1 4Å; F976-F988 HydrophobicContact CE1-CE1 4Å; F977-F988 HydrophobicContact CD1-CD1 4.27Å; F977-F988 AromaticContact CD1-CE1 3.71Å; F977-F988 HydrophobicContact CD1-CE1 3.71Å; F977-F988 HydrophobicContact CD1-CE2 4.22Å; F977-F988 AromaticContact CD1-CZ 3.7Å; F977-F988 HydrophobicContact CD1-CZ 3.7Å; F977-F988 HydrophobicContact CE1-CD1 4.33Å; F977-F988 HydrophobicContact CE1-CE1 4.2Å; R986-F988 HydrophobicContact CB-CE2 4.19Å; R986-F988 HydrophobicContact CB-CZ 4.25Å; F988-I1005 HydrophobicContact CB-CG2 4.22Å; F988-Y1006 CarbonylContact C-O 3.53Å; F988-Y1006 VanDerWaalsContact CA-O 3.28Å; F988-Y1006 WeakPolarHBondContact CA-O 3.43Å; F988-D1007 HydrophobicContact CD1-CB 3.69Å; F988-D1007 HydrophobicContact CE1-CB 3.6Å
989H95.6Very high78.9Confident61 Ų6168 Ų6828%0.28232%0.319SS..EExtended strand (participates in β ladder)trans-136149.1-178.565.4-85.2000112.4L830 I831 R832 Y1006 D1007L830-H989 HydrophobicContact CD1-CB 4.27Å; I831-H989 VanDerWaalsContact O-CA 3.22Å; I831-H989 WeakPolarHBondContact O-CA 3.3Å; I831-H989 WeakPolarHBondContact O-CB 3.29Å; R832-H989 HydrophobicContact CG-CB 4.41Å; H989-Y1006 PolarHBondContact N-O 2.87Å; H989-Y1006 PolarHBondContact O-N 2.92Å; H989-D1007 PolarHBondContact CE1-O 2.87Å
990A97.4Very high80.9Confident0 Ų061.4 Ų61.40%029%0.294CS..EExtended strand (participates in β ladder)trans-154.5158.6-177.600000111.2I831 F833 V1002 N1004 I1005I831-A990 HydrophobicContact CG1-CB 4.31Å; I831-A990 VanDerWaalsContact CG1-O 3.3Å; I831-A990 WeakPolarHBondContact CG1-O 3.25Å; I831-A990 PolarHBondContact N-O 3.46Å; I831-A990 PolarHBondContact O-N 2.96Å; I831-A990 VanDerWaalsContact O-N 3.16Å; F833-A990 HydrophobicContact CE1-CB 3.79Å; F833-A990 HydrophobicContact CZ-CB 4.35Å; A990-V1002 HydrophobicContact CB-CB 4Å; A990-V1002 HydrophobicContact CB-CG1 3.67Å; A990-V1002 HydrophobicContact CB-CG2 4.21Å; A990-N1004 VanDerWaalsContact CB-O 3.27Å; A990-N1004 WeakPolarHBondContact CB-O 3.45Å; A990-I1005 HydrophobicContact CB-CG1 4.23Å
991V97.1Very high83.2Confident72 Ų7258.8 Ų58.844%0.43628%0.278SS..EExtended strand (participates in β ladder)trans-106.2112.4176.8-177.10000109.9G829 L830 Q993G829-V991 CarbonylContact O-C 3.55Å; G829-V991 WeakPolarHBondContact O-CA 3.27Å; L830-V991 HydrophobicContact CD1-CG2 4.04Å; V991-Q993 PolarHBondContact O-N 2.87Å; V991-Q993 PolarHBondContact O-NE2 3.11Å; V991-Q993 VanDerWaalsContact O-NE2 3.09Å
992V97Very high85.7Confident6 Ų651 Ų514%0.03624%0.242CC..EExtended strand (participates in β ladder)trans-62.5126.7178.7-178.90000109.8P826 G829 I831 I1000 V1002P826-V992 HydrophobicContact CB-CG2 4.36Å; P826-V992 HydrophobicContact CG-CG2 4.26Å; G829-V992 PolarHBondContact O-N 3.44Å; I831-V992 HydrophobicContact CD1-CG2 3.96Å; I831-V992 HydrophobicContact CG1-CG2 4.03Å; I831-V992 HydrophobicContact CG2-CG2 3.77Å; V992-I1000 HydrophobicContact CB-CG2 4.39Å; V992-I1000 HydrophobicContact CG1-CG2 3.92Å; V992-I1000 HydrophobicContact CG2-CG2 3.7Å; V992-V1002 HydrophobicContact CG2-CG1 4.49Å
993Q94.9Very high88Confident65 Ų6551 Ų5130%0.30423%0.229SC..EExtended strand (participates in β ladder)trans-93.1-44.6174.1-57.7-56.6-82.100111V991 F1001 R1003V991-Q993 PolarHBondContact O-N 2.87Å; V991-Q993 PolarHBondContact O-NE2 3.11Å; V991-Q993 VanDerWaalsContact O-NE2 3.09Å; Q993-F1001 PolarHBondContact N-O 3.39Å; Q993-R1003 HydrophobicContact CG-CG 3.71Å
994S93.3Very high90Very high17 Ų1746.3 Ų46.312%0.11921%0.209CC..EExtended strand (participates in β ladder)trans-156.4156.3178.754.70000109.4F1001 Q1030S994-F1001 PolarHBondContact O-N 3.04Å; S994-Q1030 PolarHBondContact OG-NE2 2.78Å; S994-Q1030 PolarHBondContact OG-OE1 3.34Å
995A94.1Very high91.9Very high14 Ų1436 Ų3612%0.11617%0.171CC..EExtended strand (participates in β ladder)trans-128.6127.1166.800000107.5P821 T999P821-A995 HydrophobicContact CB-CB 3.87Å; P821-A995 HydrophobicContact CG-CB 3.92Å; P821-A995 WeakPolarHBondContact CG-O 3.21Å; A995-T999 WeakPolarHBondContact CA-O 3.39Å
996I92.1Very high93.5Very high13 Ų1335.5 Ų35.57%0.06716%0.162CC..EExtended strand (participates in β ladder)trans-136.1126.5-174.5-51173.3000106.7M814 T999 F1001 L1033 M1036 V1037M814-I996 HydrophobicContact CE-CG2 3.98Å; M814-I996 HydrophobicContact SD-CG2 3.96Å; I996-T999 PolarHBondContact N-O 2.9Å; I996-T999 WeakPolarHBondContact O-CB 3.38Å; I996-T999 PolarHBondContact O-N 3.38Å; I996-T999 VanDerWaalsContact O-N 3.12Å; I996-F1001 HydrophobicContact CB-CE2 4.2Å; I996-F1001 HydrophobicContact CD1-CE2 4.23Å; I996-F1001 HydrophobicContact CG1-CD2 4.5Å; I996-F1001 HydrophobicContact CG1-CE2 4.32Å; I996-L1033 HydrophobicContact CD1-CB 3.84Å; I996-M1036 HydrophobicContact CG2-CE 4.47Å; I996-V1037 HydrophobicContact CD1-CG2 4.11Å; I996-V1037 HydrophobicContact CG1-CG2 4.47Å; I996-V1037 HydrophobicContact CG2-CG2 3.61Å
997H87.6Confident94Very high51 Ų5134.6 Ų34.624%0.23616%0.159CC..THydrogen-bonded Turntrans50-139.9-169.2-162.256.8000111.6M814 E818 V819 P821 T999M814-H997 HydrophobicContact CE-CB 4.03Å; E818-H997 WeakPolarHBondContact CA-ND1 3.17Å; E818-H997 WeakPolarHBondContact O-CA 3.42Å; E818-H997 WeakPolarHBondContact O-CB 3.41Å; E818-H997 PolarHBondContact O-N 3.18Å; E818-H997 PolarHBondContact O-ND1 3.5Å; V819-H997 PolarHBondContact O-N 2.72Å; P821-H997 VanDerWaalsContact CA-O 3.27Å; P821-H997 WeakPolarHBondContact CA-O 3.35Å; P821-H997 WeakPolarHBondContact CB-O 3.35Å; H997-T999 PolarHBondContact O-N 3.15Å
998R88.2Confident94Very high70 Ų7034.9 Ų34.926%0.26416%0.163SC..THydrogen-bonded Turntrans-78.914.8177.9-60.2173-173.9-166.20.9113.7Y825Y825-R998 VanDerWaalsContact CE1-C 3.48Å; Y825-R998 VanDerWaalsContact CE1-O 3.25Å; Y825-R998 WeakPolarHBondContact CE1-O 3.16Å; Y825-R998 PolarHBondContact OH-O 2.71Å; Y825-R998 VanDerWaalsContact OH-O 3.08Å
999T94.4Very high93.5Very high12 Ų1238.7 Ų38.77%0.07418%0.181CC..EExtended strand (participates in β ladder)trans-119.4133.8-172.4-44.10000112.5D949 R951 A995 I996 H997 F1001D949-T999 WeakPolarHBondContact O-CA 3.34Å; R951-T999 HydrophobicContact CB-CG2 4.41Å; R951-T999 HydrophobicContact CG-CG2 3.82Å; A995-T999 WeakPolarHBondContact CA-O 3.39Å; I996-T999 PolarHBondContact N-O 2.9Å; I996-T999 WeakPolarHBondContact O-CB 3.38Å; I996-T999 PolarHBondContact O-N 3.38Å; I996-T999 VanDerWaalsContact O-N 3.12Å; H997-T999 PolarHBondContact O-N 3.15Å; T999-F1001 HydrophobicContact CG2-CD2 4.35Å; T999-F1001 HydrophobicContact CG2-CE1 4.17Å; T999-F1001 HydrophobicContact CG2-CE2 3.76Å; T999-F1001 HydrophobicContact CG2-CZ 3.66Å
1000I96.6Very high93Very high0 Ų038.3 Ų38.30%019%0.193CC..EExtended strand (participates in β ladder)trans-105.9127.8174-57.1171000109Y825 P826 M948 D949 L950 R951 V992 V1002Y825-I1000 HydrophobicContact CD1-CD1 3.85Å; Y825-I1000 HydrophobicContact CD1-CG1 3.58Å; Y825-I1000 HydrophobicContact CE1-CD1 4.21Å; Y825-I1000 HydrophobicContact CE1-CG1 3.96Å; P826-I1000 HydrophobicContact CG-CD1 3.95Å; M948-I1000 HydrophobicContact CB-CD1 4.03Å; M948-I1000 HydrophobicContact CG-CD1 4.45Å; M948-I1000 HydrophobicContact SD-CD1 3.65Å; D949-I1000 PolarHBondContact O-N 2.84Å; L950-I1000 HydrophobicContact CD1-CB 3.8Å; L950-I1000 HydrophobicContact CD1-CG2 3.62Å; R951-I1000 PolarHBondContact N-O 3.49Å; V992-I1000 HydrophobicContact CB-CG2 4.39Å; V992-I1000 HydrophobicContact CG1-CG2 3.92Å; V992-I1000 HydrophobicContact CG2-CG2 3.7Å; I1000-V1002 HydrophobicContact CG2-CG1 4.48Å
1001F96.9Very high92.7Very high2 Ų242 Ų421%0.00921%0.213CC..EExtended strand (participates in β ladder)trans-105.8129.3178.8-65.7-85.6000111.6R951 L953 Q993 S994 I996 T999 L1033R951-F1001 HydrophobicContact CB-CD1 4.24Å; R951-F1001 HydrophobicContact CB-CE1 4.29Å; L953-F1001 HydrophobicContact CD1-CB 4.37Å; L953-F1001 HydrophobicContact CD1-CD1 4.02Å; L953-F1001 HydrophobicContact CD1-CG 4.4Å; Q993-F1001 PolarHBondContact N-O 3.39Å; S994-F1001 PolarHBondContact O-N 3.04Å; I996-F1001 HydrophobicContact CB-CE2 4.2Å; I996-F1001 HydrophobicContact CD1-CE2 4.23Å; I996-F1001 HydrophobicContact CG1-CD2 4.5Å; I996-F1001 HydrophobicContact CG1-CE2 4.32Å; T999-F1001 HydrophobicContact CG2-CD2 4.35Å; T999-F1001 HydrophobicContact CG2-CE1 4.17Å; T999-F1001 HydrophobicContact CG2-CE2 3.76Å; T999-F1001 HydrophobicContact CG2-CZ 3.66Å; F1001-L1033 HydrophobicContact CD1-CD1 4.02Å; F1001-L1033 HydrophobicContact CD2-CD1 4.44Å; F1001-L1033 HydrophobicContact CE1-CD1 3.68Å; F1001-L1033 HydrophobicContact CE2-CD1 4.15Å; F1001-L1033 HydrophobicContact CG-CD1 4.37Å; F1001-L1033 HydrophobicContact CZ-CD1 3.75Å; F1001-L1033 HydrophobicContact CZ-CD2 4.12Å
1002V97.3Very high92.5Very high0 Ų040.6 Ų40.60%020%0.203CC..EExtended strand (participates in β ladder)trans-127.2152.5177.7-65.20000110.4L950 R951 I952 L953 A990 V992 I1000 N1004 I1005L950-V1002 HydrophobicContact CD1-CG1 3.71Å; L950-V1002 HydrophobicContact CD1-CG2 4.08Å; L950-V1002 HydrophobicContact CG-CG2 4.28Å; R951-V1002 WeakPolarHBondContact O-CG2 3.49Å; R951-V1002 PolarHBondContact O-N 2.92Å; I952-V1002 WeakPolarHBondContact CA-O 3.43Å; L953-V1002 WeakPolarHBondContact CB-O 3.13Å; L953-V1002 PolarHBondContact N-O 2.99Å; A990-V1002 HydrophobicContact CB-CB 4Å; A990-V1002 HydrophobicContact CB-CG1 3.67Å; A990-V1002 HydrophobicContact CB-CG2 4.21Å; V992-V1002 HydrophobicContact CG2-CG1 4.49Å; I1000-V1002 HydrophobicContact CG2-CG1 4.48Å; V1002-N1004 VanDerWaalsContact C-N 3.33Å; V1002-I1005 HydrophobicContact CG2-CD1 4.45Å; V1002-I1005 HydrophobicContact CG2-CG1 3.98Å
1003R94.9Very high92.3Very high168 Ų16840.4 Ų40.463%0.63420%0.202SC*.SBendtrans-71.5-31.8171.8-66.6-170.3-169.8-149.8-1.8112.5Q993Q993-R1003 HydrophobicContact CG-CG 3.71Å
1004N96.2Very high92.3Very high10 Ų1038.7 Ų38.75%0.05319%0.194CC..  trans-162.3167.2-172.4-155-4.6000111A990 V1002 Y1006 D1012 L1014A990-N1004 VanDerWaalsContact CB-O 3.27Å; A990-N1004 WeakPolarHBondContact CB-O 3.45Å; V1002-N1004 VanDerWaalsContact C-N 3.33Å; N1004-Y1006 HydrophobicContact CB-CE2 4Å; N1004-Y1006 WeakPolarHBondContact ND2-CE1 3.3Å; N1004-Y1006 PolarHBondContact ND2-OH 3.08Å; N1004-D1012 PolarHBondContact ND2-OD1 2.94Å; N1004-D1012 PolarHBondContact ND2-OD2 3.05Å; N1004-D1012 PolarHBondContact OD1-OD1 2.89Å; N1004-L1014 WeakPolarHBondContact OD1-CB 3.37Å; N1004-L1014 PolarHBondContact OD1-N 3.17Å
1005I96.6Very high92.2Very high1 Ų140.3 Ų40.31%0.00521%0.206CC..  trans-129.4133.2173.8-65.5175000108.2F833 L844 L950 I952 F988 A990 V1002 L1013F833-I1005 HydrophobicContact CE2-CG2 4.35Å; F833-I1005 HydrophobicContact CZ-CB 4.5Å; F833-I1005 HydrophobicContact CZ-CD1 4.13Å; F833-I1005 HydrophobicContact CZ-CG1 4.09Å; F833-I1005 HydrophobicContact CZ-CG2 3.75Å; L844-I1005 HydrophobicContact CD1-CD1 3.49Å; L844-I1005 VanDerWaalsContact CD1-CD1 3.49Å; L950-I1005 HydrophobicContact CD2-CD1 3.65Å; L950-I1005 HydrophobicContact CD2-CG1 4.24Å; L950-I1005 HydrophobicContact CG-CD1 4.33Å; I952-I1005 HydrophobicContact CG1-CD1 4.3Å; I952-I1005 HydrophobicContact CG1-CG1 4.45Å; F988-I1005 HydrophobicContact CB-CG2 4.22Å; A990-I1005 HydrophobicContact CB-CG1 4.23Å; V1002-I1005 HydrophobicContact CG2-CD1 4.45Å; V1002-I1005 HydrophobicContact CG2-CG1 3.98Å; I1005-L1013 HydrophobicContact CB-CB 4.15Å; I1005-L1013 HydrophobicContact CB-CD2 4.08Å; I1005-L1013 HydrophobicContact CD1-CD2 4.22Å; I1005-L1013 HydrophobicContact CG2-CD2 4.36Å; I1005-L1013 WeakPolarHBondContact O-CB 3.45Å; I1005-L1013 PolarHBondContact O-N 3.28Å
1006Y95.3Very high92Very high83 Ų8340.7 Ų40.733%0.32521%0.205SC..EExtended strand (participates in β ladder)trans-118.9152.4177.9-53.1-79.9000110.7F988 H989 N1004 N1011 D1012F988-Y1006 CarbonylContact C-O 3.53Å; F988-Y1006 VanDerWaalsContact CA-O 3.28Å; F988-Y1006 WeakPolarHBondContact CA-O 3.43Å; H989-Y1006 PolarHBondContact N-O 2.87Å; H989-Y1006 PolarHBondContact O-N 2.92Å; N1004-Y1006 HydrophobicContact CB-CE2 4Å; N1004-Y1006 WeakPolarHBondContact ND2-CE1 3.3Å; N1004-Y1006 PolarHBondContact ND2-OH 3.08Å; Y1006-N1011 VanDerWaalsContact CA-O 3.31Å; Y1006-N1011 WeakPolarHBondContact CA-O 3.47Å; Y1006-D1012 HydrophobicContact CD1-CB 4.24Å; Y1006-D1012 HydrophobicContact CE1-CB 4.08Å
1007D90Very high92Very high3 Ų340.1 Ų40.12%0.01620%0.202CC..EExtended strand (participates in β ladder)trans-97.6176.1170.971.812.1000112.6F976 R986 F988 H989 E1009 G1010 N1011F976-D1007 HydrophobicContact CZ-CB 4.49Å; R986-D1007 IonicContact CZ-OD2 3.96Å; R986-D1007 IonicContact NH2-OD2 3.22Å; R986-D1007 PolarHBondContact NH2-OD2 2.81Å; F988-D1007 HydrophobicContact CD1-CB 3.69Å; F988-D1007 HydrophobicContact CE1-CB 3.6Å; H989-D1007 PolarHBondContact CE1-O 2.87Å; D1007-E1009 PolarHBondContact O-N 2.73Å; D1007-E1009 WeakPolarHBondContact OD1-CA 3.46Å; D1007-E1009 WeakPolarHBondContact OD1-CB 3.31Å; D1007-E1009 PolarHBondContact OD1-N 3.32Å; D1007-G1010 PolarHBondContact O-N 2.8Å; D1007-G1010 PolarHBondContact OD1-N 2.86Å; D1007-G1010 VanDerWaalsContact OD1-N 3.08Å; D1007-N1011 PolarHBondContact N-O 2.93Å; D1007-N1011 WeakPolarHBondContact OD1-CB 3.49Å; D1007-N1011 PolarHBondContact OD1-N 2.87Å; D1007-N1011 PolarHBondContact OD1-ND2 3.46Å; D1007-N1011 VanDerWaalsContact OD1-ND2 3.11Å; D1007-N1011 WeakPolarHBondContact OD2-CB 3.46Å; D1007-N1011 PolarHBondContact OD2-ND2 3.29Å
1008D84.2Confident92Very high78 Ų7841.3 Ų41.342%0.41721%0.209SC..THydrogen-bonded Turntrans-59.9-12.9177.9-58-42.2000114.5Q987Q987-D1008 WeakPolarHBondContact CB-OD1 3.43Å; Q987-D1008 PolarHBondContact N-OD2 3.39Å
1009E84.3Confident91.8Very high87 Ų8743.4 Ų43.441%0.40723%0.226SC..THydrogen-bonded Turntrans-102.4-1.2179.2-76.5152.4-149.500111.8T980 K983 D1007 N1011T980-E1009 PolarHBondContact OG1-OE1 3.17Å; T980-E1009 PolarHBondContact OG1-OE2 3.31Å; K983-E1009 IonicContact NZ-OE1 3.92Å; K983-E1009 PolarHBondContact NZ-OE1 3.08Å; D1007-E1009 PolarHBondContact O-N 2.73Å; D1007-E1009 WeakPolarHBondContact OD1-CA 3.46Å; D1007-E1009 WeakPolarHBondContact OD1-CB 3.31Å; D1007-E1009 PolarHBondContact OD1-N 3.32Å; E1009-N1011 WeakPolarHBondContact CB-ND2 3.21Å
1010G85.5Confident91.1Very high52 Ų5248.6 Ų48.654%0.53624%0.244SC..  trans81.99.5-178.800000114.3D1007D1007-G1010 PolarHBondContact O-N 2.8Å; D1007-G1010 PolarHBondContact OD1-N 2.86Å; D1007-G1010 VanDerWaalsContact OD1-N 3.08Å
1011N89.8Confident90.4Very high77 Ų7749.9 Ų49.941%0.41225%0.25SC..  trans-68.9139.1177.6-58.1-72.1000110.7F976 Y1006 D1007 E1009F976-N1011 HydrophobicContact CE2-CB 3.96Å; F976-N1011 HydrophobicContact CZ-CB 4.42Å; F976-N1011 WeakPolarHBondContact CZ-O 3.48Å; Y1006-N1011 VanDerWaalsContact CA-O 3.31Å; Y1006-N1011 WeakPolarHBondContact CA-O 3.47Å; D1007-N1011 PolarHBondContact N-O 2.93Å; D1007-N1011 WeakPolarHBondContact OD1-CB 3.49Å; D1007-N1011 PolarHBondContact OD1-N 2.87Å; D1007-N1011 PolarHBondContact OD1-ND2 3.46Å; D1007-N1011 VanDerWaalsContact OD1-ND2 3.11Å; D1007-N1011 WeakPolarHBondContact OD2-CB 3.46Å; D1007-N1011 PolarHBondContact OD2-ND2 3.29Å; E1009-N1011 WeakPolarHBondContact CB-ND2 3.21Å
1012D92.9Very high89.5Confident44 Ų4454.9 Ų54.924%0.23527%0.269CS..BIsolated β-bridgetrans-98.1120.1-173.2172.1-14.6000111.3N1004 Y1006 L1014 S1015 F1016N1004-D1012 PolarHBondContact ND2-OD1 2.94Å; N1004-D1012 PolarHBondContact ND2-OD2 3.05Å; N1004-D1012 PolarHBondContact OD1-OD1 2.89Å; Y1006-D1012 HydrophobicContact CD1-CB 4.24Å; Y1006-D1012 HydrophobicContact CE1-CB 4.08Å; D1012-L1014 WeakPolarHBondContact OD1-CA 3.29Å; D1012-L1014 PolarHBondContact OD1-N 3.11Å; D1012-S1015 VanDerWaalsContact CG-OG 3.23Å; D1012-S1015 PolarHBondContact OD1-N 2.83Å; D1012-S1015 VanDerWaalsContact OD2-CB 3.25Å; D1012-S1015 WeakPolarHBondContact OD2-CB 3.48Å; D1012-S1015 PolarHBondContact OD2-OG 2.77Å; D1012-F1016 WeakPolarHBondContact O-CB 3.5Å; D1012-F1016 PolarHBondContact O-N 3.39Å
1013L93.9Very high89.1Confident1 Ų155.8 Ų55.81%0.00528%0.275CS..Hα-helixtrans-72.4-41.1179-17955.6000113.3I952 V972 F976 F977 I1005 F1016 V1017I952-L1013 HydrophobicContact CD1-CD2 4.03Å; I952-L1013 HydrophobicContact CD1-CG 4.12Å; V972-L1013 HydrophobicContact CG1-CD1 3.78Å; V972-L1013 HydrophobicContact CG2-CD1 4.49Å; F976-L1013 HydrophobicContact CB-CD1 4.19Å; F976-L1013 HydrophobicContact CD1-CB 4.37Å; F976-L1013 HydrophobicContact CD1-CD1 3.85Å; F976-L1013 HydrophobicContact CD1-CG 4.47Å; F976-L1013 HydrophobicContact CD2-CD1 4.05Å; F976-L1013 HydrophobicContact CE1-CB 3.87Å; F976-L1013 HydrophobicContact CE1-CD1 4.24Å; F976-L1013 HydrophobicContact CE1-CD2 4.48Å; F976-L1013 HydrophobicContact CE1-CG 4.41Å; F976-L1013 HydrophobicContact CE2-CB 4.03Å; F976-L1013 HydrophobicContact CE2-CD1 4.42Å; F976-L1013 HydrophobicContact CG-CD1 3.75Å; F976-L1013 HydrophobicContact CZ-CB 3.68Å; F977-L1013 HydrophobicContact CE1-CD2 4.19Å; F977-L1013 HydrophobicContact CZ-CD2 3.62Å; I1005-L1013 HydrophobicContact CB-CB 4.15Å; I1005-L1013 HydrophobicContact CB-CD2 4.08Å; I1005-L1013 HydrophobicContact CD1-CD2 4.22Å; I1005-L1013 HydrophobicContact CG2-CD2 4.36Å; I1005-L1013 WeakPolarHBondContact O-CB 3.45Å; I1005-L1013 PolarHBondContact O-N 3.28Å; L1013-F1016 HydrophobicContact CD1-CD1 4.4Å; L1013-F1016 WeakPolarHBondContact O-CB 3.34Å; L1013-F1016 PolarHBondContact O-N 2.66Å; L1013-V1017 HydrophobicContact CD1-CG2 3.9Å; L1013-V1017 HydrophobicContact CG-CG2 4.41Å; L1013-V1017 WeakPolarHBondContact O-CB 3.3Å; L1013-V1017 VanDerWaalsContact O-CG2 3.27Å; L1013-V1017 WeakPolarHBondContact O-CG2 3.41Å; L1013-V1017 PolarHBondContact O-N 3.12Å
1014L93.8Very high88.8Confident29 Ų2950.5 Ų50.515%0.15226%0.257CS..Hα-helixtrans-60.7-48.1178.3177.463.8000110.6I952 L955 N1004 D1012 V1017 I1018I952-L1014 HydrophobicContact CG2-CD1 4.24Å; L955-L1014 HydrophobicContact CD1-CD1 3.81Å; L955-L1014 HydrophobicContact CD2-CD1 3.83Å; L955-L1014 HydrophobicContact CG-CD1 4.25Å; N1004-L1014 WeakPolarHBondContact OD1-CB 3.37Å; N1004-L1014 PolarHBondContact OD1-N 3.17Å; D1012-L1014 WeakPolarHBondContact OD1-CA 3.29Å; D1012-L1014 PolarHBondContact OD1-N 3.11Å; L1014-V1017 PolarHBondContact O-N 3.22Å; L1014-I1018 HydrophobicContact CD1-CD1 3.65Å; L1014-I1018 HydrophobicContact CD1-CG1 4.19Å; L1014-I1018 HydrophobicContact CG-CD1 3.88Å; L1014-I1018 WeakPolarHBondContact O-CG1 3.42Å; L1014-I1018 PolarHBondContact O-N 3.01Å
1015S92.2Very high88.6Confident51 Ų5152.7 Ų52.736%0.35727%0.267SS..Hα-helixtrans-65.9-36.2173.7-66.70000111.9D1012 V1017 N1019D1012-S1015 VanDerWaalsContact CG-OG 3.23Å; D1012-S1015 PolarHBondContact OD1-N 2.83Å; D1012-S1015 VanDerWaalsContact OD2-CB 3.25Å; D1012-S1015 WeakPolarHBondContact OD2-CB 3.48Å; D1012-S1015 PolarHBondContact OD2-OG 2.77Å; S1015-V1017 VanDerWaalsContact C-N 3.27Å; S1015-V1017 PolarHBondContact O-N 3.42Å; S1015-N1019 WeakPolarHBondContact O-CB 3.17Å; S1015-N1019 PolarHBondContact O-N 3.38Å; S1015-N1019 PolarHBondContact O-ND2 2.87Å
1016F90.4Very high88.4Confident23 Ų2353.3 Ų53.310%0.10127%0.27CS..Hα-helixtrans-59.7-40.1173.9178.7-83.5000111.9L971 V972 D975 F976 D1012 L1013 R1020L971-F1016 HydrophobicContact CD2-CE1 3.63Å; L971-F1016 HydrophobicContact CD2-CZ 3.53Å; V972-F1016 HydrophobicContact CG2-CD1 4.27Å; V972-F1016 HydrophobicContact CG2-CE1 4.03Å; D975-F1016 HydrophobicContact CB-CE2 4.28Å; D975-F1016 HydrophobicContact CB-CZ 3.7Å; F976-F1016 HydrophobicContact CB-CD1 4.29Å; F976-F1016 HydrophobicContact CB-CE1 4.25Å; F976-F1016 HydrophobicContact CB-CE2 4.49Å; F976-F1016 HydrophobicContact CB-CG 4.46Å; F976-F1016 HydrophobicContact CB-CZ 4.35Å; F976-F1016 HydrophobicContact CD2-CB 3.91Å; F976-F1016 HydrophobicContact CD2-CD1 4.37Å; F976-F1016 AromaticContact CD2-CD2 3.92Å; F976-F1016 HydrophobicContact CD2-CD2 3.92Å; F976-F1016 AromaticContact CD2-CG 3.82Å; F976-F1016 HydrophobicContact CD2-CG 3.82Å; F976-F1016 HydrophobicContact CE2-CB 4.29Å; D1012-F1016 WeakPolarHBondContact O-CB 3.5Å; D1012-F1016 PolarHBondContact O-N 3.39Å; L1013-F1016 HydrophobicContact CD1-CD1 4.4Å; L1013-F1016 WeakPolarHBondContact O-CB 3.34Å; L1013-F1016 PolarHBondContact O-N 2.66Å; F1016-R1020 VanDerWaalsContact CD2-NH1 3.27Å; F1016-R1020 WeakPolarHBondContact O-CB 3.39Å; F1016-R1020 WeakPolarHBondContact O-CD 3.32Å; F1016-R1020 WeakPolarHBondContact O-CG 3.34Å; F1016-R1020 PolarHBondContact O-NH1 3.24Å
1017V90.8Very high88.2Confident0 Ų057.9 Ų57.90%030%0.295CS..Hα-helixtrans-76.3-52.4-178.5169.90000111.9P841 L955 W964 V972 L1013 L1014 S1015 N1019 R1020 F1021P841-V1017 HydrophobicContact CB-CG1 3.93Å; P841-V1017 HydrophobicContact CB-CG2 3.78Å; L955-V1017 HydrophobicContact CD1-CG1 4.47Å; L955-V1017 HydrophobicContact CD2-CG1 4.25Å; W964-V1017 HydrophobicContact CH2-CG1 3.7Å; W964-V1017 HydrophobicContact CZ3-CG1 4.07Å; V972-V1017 HydrophobicContact CG2-CG2 3.91Å; L1013-V1017 HydrophobicContact CD1-CG2 3.9Å; L1013-V1017 HydrophobicContact CG-CG2 4.41Å; L1013-V1017 WeakPolarHBondContact O-CB 3.3Å; L1013-V1017 VanDerWaalsContact O-CG2 3.27Å; L1013-V1017 WeakPolarHBondContact O-CG2 3.41Å; L1013-V1017 PolarHBondContact O-N 3.12Å; L1014-V1017 PolarHBondContact O-N 3.22Å; S1015-V1017 VanDerWaalsContact C-N 3.27Å; S1015-V1017 PolarHBondContact O-N 3.42Å; V1017-N1019 VanDerWaalsContact C-N 3.28Å; V1017-N1019 PolarHBondContact O-N 3.4Å; V1017-R1020 PolarHBondContact O-N 2.83Å; V1017-F1021 HydrophobicContact CB-CD2 4.33Å; V1017-F1021 HydrophobicContact CG1-CD2 3.96Å; V1017-F1021 WeakPolarHBondContact O-CD2 3.46Å; V1017-F1021 PolarHBondContact O-N 3.25Å
1018I88Confident88.2Confident77 Ų7761 Ų6140%0.39532%0.316SS..Hα-helixtrans-59.8-39-177.9-70.1174.5000111.4L955 L1014 R1020L955-I1018 HydrophobicContact CD1-CG1 4.49Å; L1014-I1018 HydrophobicContact CD1-CD1 3.65Å; L1014-I1018 HydrophobicContact CD1-CG1 4.19Å; L1014-I1018 HydrophobicContact CG-CD1 3.88Å; L1014-I1018 WeakPolarHBondContact O-CG1 3.42Å; L1014-I1018 PolarHBondContact O-N 3.01Å; I1018-R1020 PolarHBondContact O-N 3.23Å
1019N83.8Confident88.7Confident114 Ų11457.3 Ų57.361%0.6130%0.296SS*.THydrogen-bonded Turntrans-75.60.3178.2-70.2-65000114.3S1015 V1017S1015-N1019 WeakPolarHBondContact O-CB 3.17Å; S1015-N1019 PolarHBondContact O-N 3.38Å; S1015-N1019 PolarHBondContact O-ND2 2.87Å; V1017-N1019 VanDerWaalsContact C-N 3.28Å; V1017-N1019 PolarHBondContact O-N 3.4Å
1020R79.4Confident89.2Confident121 Ų12155 Ų5546%0.45729%0.285SS..THydrogen-bonded Turntrans-130-20.9-176.4-71.3179.7178.772.53.6115F1016 V1017 I1018F1016-R1020 VanDerWaalsContact CD2-NH1 3.27Å; F1016-R1020 WeakPolarHBondContact O-CB 3.39Å; F1016-R1020 WeakPolarHBondContact O-CD 3.32Å; F1016-R1020 WeakPolarHBondContact O-CG 3.34Å; F1016-R1020 PolarHBondContact O-NH1 3.24Å; V1017-R1020 PolarHBondContact O-N 2.83Å; I1018-R1020 PolarHBondContact O-N 3.23Å
1021F82.1Confident89.7Confident27 Ų2758.2 Ų58.212%0.11829%0.289CS..SBendtrans-132.2156.3-173.6-54.9-68.8000112.2W964 A968 L971 V972 V1017 S1023W964-F1021 HydrophobicContact CZ3-CB 4.15Å; A968-F1021 VanDerWaalsContact CA-CE1 3.49Å; A968-F1021 HydrophobicContact CB-CD1 3.63Å; A968-F1021 HydrophobicContact CB-CD2 4.39Å; A968-F1021 HydrophobicContact CB-CE1 3.46Å; A968-F1021 VanDerWaalsContact CB-CE1 3.46Å; A968-F1021 HydrophobicContact CB-CE2 4.25Å; A968-F1021 HydrophobicContact CB-CG 4.1Å; A968-F1021 HydrophobicContact CB-CZ 3.79Å; L971-F1021 HydrophobicContact CB-CZ 4.05Å; L971-F1021 HydrophobicContact CD1-CE1 4.48Å; L971-F1021 HydrophobicContact CD1-CZ 4.16Å; L971-F1021 HydrophobicContact CD2-CZ 3.97Å; L971-F1021 HydrophobicContact CG-CZ 4.27Å; V972-F1021 HydrophobicContact CG2-CE2 4.03Å; V1017-F1021 HydrophobicContact CB-CD2 4.33Å; V1017-F1021 HydrophobicContact CG1-CD2 3.96Å; V1017-F1021 WeakPolarHBondContact O-CD2 3.46Å; V1017-F1021 PolarHBondContact O-N 3.25Å; F1021-S1023 PolarHBondContact O-N 2.9Å
1022R78.8Confident89.9Confident107 Ų10757.1 Ų57.140%0.40428%0.281SS..  trans-7489.9170.2-73.8-168.8-166.6-162.22.7109.8P957 E958P957-R1022 WeakPolarHBondContact CA-O 3.48Å; E958-R1022 HydrophobicContact CB-CB 4.19Å; E958-R1022 HydrophobicContact CG-CB 4.11Å; E958-R1022 PolarHBondContact N-O 2.88Å; E958-R1022 VanDerWaalsContact OE2-CB 3.28Å; E958-R1022 WeakPolarHBondContact OE2-CB 3.47Å; E958-R1022 WeakPolarHBondContact OE2-CD 3.49Å; E958-R1022 WeakPolarHBondContact OE2-CG 3.21Å
1023S87.7Confident90Very high18 Ų1855 Ų5513%0.12627%0.27CS..EExtended strand (participates in β ladder)trans-134.9149.6-179.559.80000112.8Q956 W964 F1021Q956-S1023 CarbonylContact O-C 3.59Å; Q956-S1023 VanDerWaalsContact O-CA 3.28Å; Q956-S1023 WeakPolarHBondContact O-CA 3.38Å; Q956-S1023 WeakPolarHBondContact O-CB 3.33Å; W964-S1023 VanDerWaalsContact CH2-CB 3.43Å; F1021-S1023 PolarHBondContact O-N 2.9Å
1024H89.3Confident90Very high57 Ų5757.6 Ų57.626%0.26428%0.284SS..EExtended strand (participates in β ladder)trans-121.1138.3178.2167.567.6000109.7R767 Q956R767-H1024 PolarHBondContact NE-CD2 3.05Å; R767-H1024 PolarHBondContact NE-NE2 2.94Å; R767-H1024 PolarHBondContact NH2-CD2 2.87Å; Q956-H1024 PolarHBondContact N-O 3.19Å; Q956-H1024 PolarHBondContact O-N 3.09Å
1025Q91.9Very high90Very high56 Ų5658.9 Ų58.926%0.26230%0.298SS..EExtended strand (participates in β ladder)trans-98.8111.9175.2-174.563.512.600108.8L953 E1027L953-Q1025 PolarHBondContact O-NE2 2.86Å; Q1025-E1027 PolarHBondContact O-N 3.27Å
1026D91.7Very high90Very high14 Ų1456.6 Ų56.68%0.07528%0.282CS..  trans-89.495.8179.5-170.5-27.4000109.9G954 Q956 C1028 C1029 K1032G954-D1026 PolarHBondContact O-N 3.25Å; Q956-D1026 VanDerWaalsContact NE2-CB 3.27Å; D1026-C1028 PolarHBondContact O-N 3Å; D1026-C1028 PolarHBondContact OD1-N 2.99Å; D1026-C1029 HydrophobicContact CB-CB 4.43Å; D1026-C1029 WeakPolarHBondContact O-CB 3.41Å; D1026-C1029 PolarHBondContact O-N 2.84Å; D1026-C1029 PolarHBondContact OD1-N 2.72Å; D1026-K1032 IonicContact OD1-NZ 2.95Å; D1026-K1032 IonicContact OD2-NZ 3.59Å; D1026-K1032 PolarHBondContact OD2-NZ 3.43Å
1027E91.2Very high90.1Very high180 Ų18057.2 Ų57.284%0.84129%0.288SS*.THydrogen-bonded Turntrans-60.8-27.2-178-59.1-175.6156.600112.6Q1025 C1029Q1025-E1027 PolarHBondContact O-N 3.27Å; E1027-C1029 PolarHBondContact O-N 3.21Å
1028C91.5Very high90.1Very high68 Ų6865.2 Ų65.246%0.45932%0.323SS..THydrogen-bonded Turntrans-79.2-1.9177.2-65.60000113.6D1026 Q1030 L1031 K1032D1026-C1028 PolarHBondContact O-N 3Å; D1026-C1028 PolarHBondContact OD1-N 2.99Å; C1028-Q1030 VanDerWaalsContact C-N 3.31Å; C1028-Q1030 PolarHBondContact O-N 3.43Å; C1028-L1031 WeakPolarHBondContact O-CB 3.45Å; C1028-L1031 PolarHBondContact O-N 3.4Å; C1028-L1031 VanDerWaalsContact O-N 3.09Å; C1028-K1032 WeakPolarHBondContact O-CG 3.5Å; C1028-K1032 PolarHBondContact O-N 2.94Å; C1028-K1032 VanDerWaalsContact O-N 3.12Å
1029C94.8Very high90.2Very high1 Ų164.4 Ų64.41%0.00732%0.324CS..Hα-helixtrans-56.8-38-174.9-173.70000113.8L953 G954 D1026 E1027 K1032 L1033L953-C1029 HydrophobicContact CD1-CB 4.06Å; L953-C1029 HydrophobicContact CG-CB 4.34Å; G954-C1029 VanDerWaalsContact CA-CB 3.47Å; G954-C1029 PolarHBondContact N-SG 3.45Å; G954-C1029 VanDerWaalsContact N-SG 3.42Å; D1026-C1029 HydrophobicContact CB-CB 4.43Å; D1026-C1029 WeakPolarHBondContact O-CB 3.41Å; D1026-C1029 PolarHBondContact O-N 2.84Å; D1026-C1029 PolarHBondContact OD1-N 2.72Å; E1027-C1029 PolarHBondContact O-N 3.21Å; C1029-K1032 PolarHBondContact O-N 2.85Å; C1029-L1033 WeakPolarHBondContact O-CG 3.43Å; C1029-L1033 PolarHBondContact O-N 3.33Å; C1029-L1033 VanDerWaalsContact O-N 3.08Å
1030Q94.5Very high90.5Very high38 Ų3860.1 Ų60.118%0.17830%0.302CS..Hα-helixtrans-65.3-44.6176.4-170.763.561.800111.1L953 S994 C1028 K1032 L1033 D1034L953-Q1030 HydrophobicContact CD1-CB 4.46Å; L953-Q1030 HydrophobicContact CD2-CB 4.18Å; S994-Q1030 PolarHBondContact OG-NE2 2.78Å; S994-Q1030 PolarHBondContact OG-OE1 3.34Å; C1028-Q1030 VanDerWaalsContact C-N 3.31Å; C1028-Q1030 PolarHBondContact O-N 3.43Å; Q1030-K1032 VanDerWaalsContact C-N 3.25Å; Q1030-K1032 PolarHBondContact O-N 3Å; Q1030-L1033 PolarHBondContact O-N 2.81Å; Q1030-L1033 VanDerWaalsContact O-N 3.12Å; Q1030-D1034 PolarHBondContact NE2-OD1 2.97Å; Q1030-D1034 WeakPolarHBondContact O-CB 3.5Å; Q1030-D1034 PolarHBondContact O-N 2.81Å
1031L94.8Very high90.9Very high119 Ų11958.7 Ų58.762%0.62330%0.3SS*.Hα-helixtrans-61.1-35179.3-59.4175.7000112.2C1028 A1035C1028-L1031 WeakPolarHBondContact O-CB 3.45Å; C1028-L1031 PolarHBondContact O-N 3.4Å; C1028-L1031 VanDerWaalsContact O-N 3.09Å; L1031-A1035 VanDerWaalsContact O-CB 3.28Å; L1031-A1035 WeakPolarHBondContact O-CB 3.4Å; L1031-A1035 PolarHBondContact O-N 2.82Å
1032K94.8Very high91Very high54 Ų5461.9 Ų61.924%0.23532%0.318CS..Hα-helixtrans-68.3-43.9174.3-63.2172.9-177.5-1770112.1F800 D802 D1026 C1028 C1029 Q1030 A1035 M1036F800-K1032 WeakPolarHBondContact O-CB 3.35Å; F800-K1032 VanDerWaalsContact O-CD 3.32Å; F800-K1032 WeakPolarHBondContact O-CD 3.44Å; D802-K1032 HydrophobicContact CB-CD 4.35Å; D802-K1032 WeakPolarHBondContact OD2-CE 3.43Å; D802-K1032 IonicContact OD2-NZ 2.99Å; D802-K1032 PolarHBondContact OD2-NZ 3.1Å; D1026-K1032 IonicContact OD1-NZ 2.95Å; D1026-K1032 IonicContact OD2-NZ 3.59Å; D1026-K1032 PolarHBondContact OD2-NZ 3.43Å; C1028-K1032 WeakPolarHBondContact O-CG 3.5Å; C1028-K1032 PolarHBondContact O-N 2.94Å; C1028-K1032 VanDerWaalsContact O-N 3.12Å; C1029-K1032 PolarHBondContact O-N 2.85Å; Q1030-K1032 VanDerWaalsContact C-N 3.25Å; Q1030-K1032 PolarHBondContact O-N 3Å; K1032-A1035 PolarHBondContact O-N 2.89Å; K1032-M1036 PolarHBondContact O-N 3.07Å
1033L94.8Very high91Very high1 Ų157.9 Ų57.91%0.00531%0.306CS..Hα-helixtrans-65.4-40.8175.8-70.2167.3000111.6L953 I996 F1001 C1029 Q1030 A1035 M1036 V1037L953-L1033 HydrophobicContact CD1-CD1 3.73Å; I996-L1033 HydrophobicContact CD1-CB 3.84Å; F1001-L1033 HydrophobicContact CD1-CD1 4.02Å; F1001-L1033 HydrophobicContact CD2-CD1 4.44Å; F1001-L1033 HydrophobicContact CE1-CD1 3.68Å; F1001-L1033 HydrophobicContact CE2-CD1 4.15Å; F1001-L1033 HydrophobicContact CG-CD1 4.37Å; F1001-L1033 HydrophobicContact CZ-CD1 3.75Å; F1001-L1033 HydrophobicContact CZ-CD2 4.12Å; C1029-L1033 WeakPolarHBondContact O-CG 3.43Å; C1029-L1033 PolarHBondContact O-N 3.33Å; C1029-L1033 VanDerWaalsContact O-N 3.08Å; Q1030-L1033 PolarHBondContact O-N 2.81Å; Q1030-L1033 VanDerWaalsContact O-N 3.12Å; L1033-A1035 VanDerWaalsContact C-N 3.34Å; L1033-A1035 PolarHBondContact O-N 3.27Å; L1033-M1036 HydrophobicContact CD2-CE 3.9Å; L1033-M1036 WeakPolarHBondContact O-CB 3.11Å; L1033-M1036 PolarHBondContact O-N 3.26Å; L1033-V1037 WeakPolarHBondContact O-CG2 3.47Å; L1033-V1037 PolarHBondContact O-N 3.16Å
1034D94Very high90.1Very high55 Ų5561.3 Ų61.329%0.29433%0.328SS..Hα-helixtrans-64.1-39.2174.8-62.3-15.4000111.5Q1030 V1037 K1038Q1030-D1034 PolarHBondContact NE2-OD1 2.97Å; Q1030-D1034 WeakPolarHBondContact O-CB 3.5Å; Q1030-D1034 PolarHBondContact O-N 2.81Å; D1034-V1037 PolarHBondContact O-N 3.29Å; D1034-K1038 WeakPolarHBondContact O-CB 3.41Å; D1034-K1038 WeakPolarHBondContact O-CD 3.06Å; D1034-K1038 VanDerWaalsContact O-CG 3.24Å; D1034-K1038 WeakPolarHBondContact O-CG 3.14Å; D1034-K1038 PolarHBondContact O-N 2.66Å
1035A92.8Very high88.9Confident55 Ų5565.3 Ų65.346%0.45534%0.342SS..Hα-helixtrans-66.3-43.2174.300000111.8L1031 K1032 L1033 V1037 K1038 S1039L1031-A1035 VanDerWaalsContact O-CB 3.28Å; L1031-A1035 WeakPolarHBondContact O-CB 3.4Å; L1031-A1035 PolarHBondContact O-N 2.82Å; K1032-A1035 PolarHBondContact O-N 2.89Å; L1033-A1035 VanDerWaalsContact C-N 3.34Å; L1033-A1035 PolarHBondContact O-N 3.27Å; A1035-V1037 PolarHBondContact O-N 3.03Å; A1035-K1038 PolarHBondContact O-N 3.02Å; A1035-S1039 WeakPolarHBondContact O-CB 3.36Å; A1035-S1039 PolarHBondContact O-N 3.09Å; A1035-S1039 PolarHBondContact O-OG 3.24Å
1036M92.3Very high86.7Confident4 Ų472.2 Ų72.22%0.0238%0.376CS..Hα-helixtrans-55.9-49.4173178.6-171.267.100110.9M797 M814 I996 K1032 L1033 K1038 S1039 S1040M797-M1036 HydrophobicContact CE-CB 4.15Å; M797-M1036 HydrophobicContact CE-CG 4Å; M797-M1036 HydrophobicContact CE-SD 4.4Å; M797-M1036 HydrophobicContact CG-CG 4.42Å; M797-M1036 HydrophobicContact CG-SD 3.72Å; M814-M1036 HydrophobicContact CB-CG 4.21Å; M814-M1036 HydrophobicContact CE-CE 3.79Å; M814-M1036 HydrophobicContact SD-CE 3.99Å; I996-M1036 HydrophobicContact CG2-CE 4.47Å; K1032-M1036 PolarHBondContact O-N 3.07Å; L1033-M1036 HydrophobicContact CD2-CE 3.9Å; L1033-M1036 WeakPolarHBondContact O-CB 3.11Å; L1033-M1036 PolarHBondContact O-N 3.26Å; M1036-K1038 PolarHBondContact O-N 3.08Å; M1036-S1039 WeakPolarHBondContact CA-OG 3.41Å; M1036-S1039 PolarHBondContact O-N 3.01Å; M1036-S1039 VanDerWaalsContact O-N 3.14Å; M1036-S1039 PolarHBondContact O-OG 2.99Å; M1036-S1040 PolarHBondContact O-N 3.2Å
1037V92.8Very high86.4Confident36 Ų3675.2 Ų75.222%0.21839%0.391CS..Hα-helixtrans-59.6-46.3177.3163.90000111.9M814 V819 I996 L1033 D1034 A1035 S1039 S1040M814-V1037 HydrophobicContact SD-CG2 4.25Å; V819-V1037 HydrophobicContact CG1-CG1 3.62Å; V819-V1037 HydrophobicContact CG1-CG2 4.4Å; V819-V1037 HydrophobicContact CG2-CG1 4.3Å; I996-V1037 HydrophobicContact CD1-CG2 4.11Å; I996-V1037 HydrophobicContact CG1-CG2 4.47Å; I996-V1037 HydrophobicContact CG2-CG2 3.61Å; L1033-V1037 WeakPolarHBondContact O-CG2 3.47Å; L1033-V1037 PolarHBondContact O-N 3.16Å; D1034-V1037 PolarHBondContact O-N 3.29Å; A1035-V1037 PolarHBondContact O-N 3.03Å; V1037-S1039 PolarHBondContact O-N 2.78Å; V1037-S1040 VanDerWaalsContact O-CB 3.28Å; V1037-S1040 WeakPolarHBondContact O-CB 3.47Å; V1037-S1040 PolarHBondContact O-N 2.93Å; V1037-S1040 PolarHBondContact O-OG 3.29Å
1038K92Very high86.2Confident168 Ų16869.6 Ų69.673%0.7337%0.368SS*.Hα-helixtrans-64.1-26.7176.2-72.1167.7-175.8175.70113.2D1034 A1035 M1036 S1040D1034-K1038 WeakPolarHBondContact O-CB 3.41Å; D1034-K1038 WeakPolarHBondContact O-CD 3.06Å; D1034-K1038 VanDerWaalsContact O-CG 3.24Å; D1034-K1038 WeakPolarHBondContact O-CG 3.14Å; D1034-K1038 PolarHBondContact O-N 2.66Å; A1035-K1038 PolarHBondContact O-N 3.02Å; M1036-K1038 PolarHBondContact O-N 3.08Å; K1038-S1040 VanDerWaalsContact C-N 3.32Å
1039S89.3Confident85.9Confident60 Ų6069.7 Ų69.742%0.4236%0.363SS..THydrogen-bonded Turntrans-85.94.517773.90000114.6A1035 M1036 V1037A1035-S1039 WeakPolarHBondContact O-CB 3.36Å; A1035-S1039 PolarHBondContact O-N 3.09Å; A1035-S1039 PolarHBondContact O-OG 3.24Å; M1036-S1039 WeakPolarHBondContact CA-OG 3.41Å; M1036-S1039 PolarHBondContact O-N 3.01Å; M1036-S1039 VanDerWaalsContact O-N 3.14Å; M1036-S1039 PolarHBondContact O-OG 2.99Å; V1037-S1039 PolarHBondContact O-N 2.78Å
1040S90.1Very high85.4Confident23 Ų2373.8 Ų73.816%0.16138%0.384CS..  trans-62.4139.1-175.5560000113.3M814 M1036 V1037 K1038M814-S1040 VanDerWaalsContact O-CA 3.22Å; M814-S1040 WeakPolarHBondContact O-CA 3.08Å; M814-S1040 WeakPolarHBondContact O-CB 3.48Å; M1036-S1040 PolarHBondContact O-N 3.2Å; V1037-S1040 VanDerWaalsContact O-CB 3.28Å; V1037-S1040 WeakPolarHBondContact O-CB 3.47Å; V1037-S1040 PolarHBondContact O-N 2.93Å; V1037-S1040 PolarHBondContact O-OG 3.29Å; K1038-S1040 VanDerWaalsContact C-N 3.32Å
1041K87.6Confident84.8Confident91 Ų9176 Ų7640%0.39640%0.397SS..BIsolated β-bridgetrans-115.2161.9-176.7-57.1-170.6-172.2-179.20110.4E784 V813 M814 W815 R816E784-K1041 IonicContact OE1-NZ 3.93Å; E784-K1041 PolarHBondContact OE1-NZ 3.37Å; V813-K1041 HydrophobicContact CG1-CB 3.98Å; V813-K1041 HydrophobicContact CG1-CD 3.92Å; V813-K1041 HydrophobicContact CG1-CG 3.73Å; M814-K1041 PolarHBondContact O-N 2.97Å; M814-K1041 VanDerWaalsContact O-N 3.13Å; W815-K1041 CarbonylContact C-O 3.58Å; W815-K1041 WeakPolarHBondContact CA-O 3.29Å; R816-K1041 PolarHBondContact N-O 3.05Å
1042D84.9Confident84.1Confident95 Ų9573.1 Ų73.151%0.50838%0.381SS..  trans-67151.6173.3-61.8-59.2000110.9R816R816-D1042 WeakPolarHBondContact CD-OD1 3.22Å; R816-D1042 IonicContact CZ-OD1 3.25Å; R816-D1042 VanDerWaalsContact CZ-OD1 3.31Å; R816-D1042 IonicContact CZ-OD2 3.44Å; R816-D1042 IonicContact NE-OD1 3.12Å; R816-D1042 IonicContact NH1-OD1 2.85Å; R816-D1042 PolarHBondContact NH1-OD1 2.84Å; R816-D1042 IonicContact NH1-OD2 2.91Å; R816-D1042 PolarHBondContact NH1-OD2 2.86Å; R816-D1042 IonicContact NH2-OD2 3.36Å; R816-D1042 PolarHBondContact NH2-OD2 2.97Å
1043C77.9Confident83.4Confident22 Ų2274.5 Ų74.515%0.14939%0.392CS..  trans-73.8123.7174.7-1770000109.2W815 Y1045 M1046W815-C1043 HydrophobicContact CB-CB 4.45Å; W815-C1043 HydrophobicContact CD2-CB 3.93Å; W815-C1043 HydrophobicContact CE3-CB 4.29Å; W815-C1043 HydrophobicContact CG-CB 4.02Å; C1043-Y1045 PolarHBondContact O-N 3.25Å; C1043-Y1045 VanDerWaalsContact O-N 3.09Å; C1043-M1046 HydrophobicContact CB-CG 4.07Å; C1043-M1046 HydrophobicContact CB-SD 4.19Å
1044P69Low82.5Confident90 Ų9080.2 Ų80.258%0.58442%0.422SS*.THydrogen-bonded Turntrans-78.713.5-177.834.2-37.1000113.6
1045Y64.7Low81.6Confident142 Ų14282.3 Ų82.356%0.55743%0.432SS*.THydrogen-bonded Turntrans-133.724.6-177.2-52.8-63.9000112.3C1043C1043-Y1045 PolarHBondContact O-N 3.25Å; C1043-Y1045 VanDerWaalsContact O-N 3.09Å
1046M45.3Very low80.5Confident201 Ų20184.7 Ų84.799%0.9943%0.43SS*.  trans-103.60167.4-78-176.2170.400110.2D817 C1043D817-M1046 HydrophobicContact CB-CE 4.21Å; C1043-M1046 HydrophobicContact CB-CG 4.07Å; C1043-M1046 HydrophobicContact CB-SD 4.19Å

Retrieved 1,046 of 1,046 residues in 2560.9 ms (Link to these results)

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