A0A075BLM9_DROME Loading...

RNA helicase

AlphaFold DB , UniProt , Accession A0A075BLM9, Species DROME (Drosophila melanogaster, Fruit fly), Gene fs(1)Yb, Length 1,036 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
1M29.3Very low47.4Very low190 Ų190110.2 Ų110.294%0.93662%0.617SS**  0139.50-76.5176.7166.100108.3
2E20.7Very low49.5Very low174 Ų174110.3 Ų110.381%0.81361%0.607SS**  trans-70.1158.5163.5-68.6-175.1140.800110.3I4E2-I4 PolarHBondContact O-N 3.34Å
3P23.7Very low52Low131 Ų131111.5 Ų111.585%0.85160%0.602SS**  trans-63.7109.4173.626.4-34.1000110G5P3-G5 PolarHBondContact O-N 3.47Å
4I30.6Very low53.9Low116 Ų116107.9 Ų107.960%0.59559%0.586SS**  trans-61.7106178.2-57.4176.1000108.6E2 L7E2-I4 PolarHBondContact O-N 3.34Å; I4-L7 HydrophobicContact CG2-CD1 4.06Å; I4-L7 HydrophobicContact CG2-CG 4.43Å
5G29.7Very low55.2Low57 Ų57107.5 Ų107.559%0.58859%0.588SS**  trans-58.5156.5175.300000111.7P3 L7P3-G5 PolarHBondContact O-N 3.47Å; G5-L7 PolarHBondContact O-N 3.09Å
6N40.3Very low55.8Low119 Ų119105.5 Ų105.564%0.63658%0.584SS**  trans-48.2113.4-177.3-71.3-63.8000111.4Q8N6-Q8 VanDerWaalsContact C-N 3.34Å; N6-Q8 PolarHBondContact O-N 3.24Å
7L52.9Low56.1Low59 Ų59104.2 Ų104.231%0.30960%0.6SS.*  trans-64.689.8177.8-84.5139.8000110.1I4 G5 V9 H38I4-L7 HydrophobicContact CG2-CD1 4.06Å; I4-L7 HydrophobicContact CG2-CG 4.43Å; G5-L7 PolarHBondContact O-N 3.09Å; L7-V9 VanDerWaalsContact C-N 3.33Å; L7-V9 PolarHBondContact O-N 3.45Å; L7-H38 HydrophobicContact CD1-CB 4.06Å
8Q59Low56.6Low190 Ų190102.4 Ų102.489%0.88861%0.608SS**  trans-71.988.5171.2-73.2-170-1100109.6N6N6-Q8 VanDerWaalsContact C-N 3.34Å; N6-Q8 PolarHBondContact O-N 3.24Å
9V75.6Confident57.4Low22 Ų2299.7 Ų99.713%0.13359%0.592CS.*  trans-84.3132.5168.41740000109L7 S11 A24 P26 F35L7-V9 VanDerWaalsContact C-N 3.33Å; L7-V9 PolarHBondContact O-N 3.45Å; V9-S11 PolarHBondContact O-N 2.87Å; V9-A24 HydrophobicContact CG1-CB 3.95Å; V9-P26 HydrophobicContact CG1-CB 4.33Å; V9-P26 HydrophobicContact CG1-CG 3.94Å; V9-P26 HydrophobicContact CG2-CB 4.41Å; V9-P26 HydrophobicContact CG2-CG 4.45Å; V9-F35 HydrophobicContact CB-CD2 3.97Å; V9-F35 HydrophobicContact CB-CE2 4.04Å; V9-F35 HydrophobicContact CB-CG 4.42Å; V9-F35 HydrophobicContact CG2-CB 3.92Å; V9-F35 HydrophobicContact CG2-CD1 4.48Å; V9-F35 HydrophobicContact CG2-CD2 3.44Å; V9-F35 VanDerWaalsContact CG2-CD2 3.44Å; V9-F35 HydrophobicContact CG2-CE2 4.04Å; V9-F35 HydrophobicContact CG2-CG 3.7Å
10P78.5Confident58.3Low77 Ų7797.4 Ų97.450%0.558%0.579SS.*  trans-54.9123.7170.8-25.534.5000111A24 S25P10-A24 WeakPolarHBondContact O-CA 3.4Å; P10-S25 PolarHBondContact O-N 3.14Å
11S81.3Confident59.5Low77 Ų7793.2 Ų93.254%0.53855%0.554SS.*EExtended strand (participates in β ladder)trans-144.3144.3-177.667.20000112.8V9 Y23V9-S11 PolarHBondContact O-N 2.87Å; S11-Y23 CarbonylContact C-O 3.49Å; S11-Y23 WeakPolarHBondContact CA-O 3.46Å; S11-Y23 WeakPolarHBondContact CB-O 3.13Å
12F72.4Confident62.3Low112 Ų11284.9 Ų84.949%0.49151%0.513SS..EExtended strand (participates in β ladder)trans-132.5156.217563.1-84.6000110.5V14 Y23F12-V14 HydrophobicContact CD2-CG2 3.75Å; F12-V14 HydrophobicContact CE2-CG2 3.65Å; F12-Y23 HydrophobicContact CD2-CD2 4.34Å; F12-Y23 HydrophobicContact CE1-CG 4.27Å; F12-Y23 AromaticContact CE2-CD2 3.74Å; F12-Y23 HydrophobicContact CE2-CD2 3.74Å; F12-Y23 AromaticContact CE2-CG 3.87Å; F12-Y23 HydrophobicContact CE2-CG 3.87Å; F12-Y23 VanDerWaalsContact CZ-CB 3.45Å; F12-Y23 HydrophobicContact CZ-CD1 4.29Å; F12-Y23 HydrophobicContact CZ-CD2 4.05Å; F12-Y23 AromaticContact CZ-CG 3.68Å; F12-Y23 HydrophobicContact CZ-CG 3.68Å; F12-Y23 PolarHBondContact N-O 3.18Å; F12-Y23 PolarHBondContact O-N 2.65Å
13K82.6Confident65.2Low125 Ų12578.9 Ų78.954%0.54348%0.484SS..EExtended strand (participates in β ladder)trans-111.8137.2177.8-61.4-152.5178.5-150.20111.4T20 F21 T22 E144K13-T20 HydrophobicContact CB-CG2 4.27Å; K13-T20 HydrophobicContact CD-CG2 3.85Å; K13-F21 CarbonylContact C-O 3.54Å; K13-F21 VanDerWaalsContact CA-O 3.27Å; K13-F21 WeakPolarHBondContact CA-O 3.45Å; K13-T22 WeakPolarHBondContact CD-OG1 3.37Å; K13-T22 WeakPolarHBondContact CE-OG1 3.48Å; K13-T22 HydrophobicContact CG-CG2 4.18Å; K13-T22 PolarHBondContact NZ-OG1 3.28Å; K13-E144 IonicContact NZ-OE1 2.76Å; K13-E144 PolarHBondContact NZ-OE1 2.84Å
14V78.8Confident68.1Low62 Ų6272.7 Ų72.738%0.37644%0.443SS..EExtended strand (participates in β ladder)trans-125.3132.4175.8-176.50000108.3F12 F21 Y23F12-V14 HydrophobicContact CD2-CG2 3.75Å; F12-V14 HydrophobicContact CE2-CG2 3.65Å; V14-F21 PolarHBondContact N-O 2.81Å; V14-F21 PolarHBondContact O-N 3.13Å; V14-Y23 HydrophobicContact CB-CE2 4.17Å; V14-Y23 HydrophobicContact CG2-CD2 4.06Å; V14-Y23 HydrophobicContact CG2-CE2 4Å
15V73.4Confident70.7Confident102 Ų10269.5 Ų69.562%0.61843%0.431SS*.EExtended strand (participates in β ladder)trans-101.2123.8173.3-176.50000108.6T19 T20V15-T19 WeakPolarHBondContact CA-O 3.49Å; V15-T20 HydrophobicContact CG2-CG2 4.49Å
16S63.7Low73.2Confident75 Ų7566.9 Ų66.952%0.52440%0.404SS..EExtended strand (participates in β ladder)trans-141.6133.9177-173.10000110.1G18 T19S16-G18 PolarHBondContact O-N 3.49Å; S16-G18 VanDerWaalsContact O-N 3.12Å; S16-T19 PolarHBondContact N-O 3.01Å; S16-T19 PolarHBondContact O-N 2.95Å; S16-T19 VanDerWaalsContact O-O 3.14Å
17G61.8Low74.9Confident84 Ų8469.6 Ų69.687%0.86641%0.41SS*.THydrogen-bonded Turntrans56.826.6-177.800000114.7T19G17-T19 PolarHBondContact O-N 2.63Å
18G63.9Low76.1Confident72 Ų7268.3 Ų68.374%0.74241%0.406SS*.THydrogen-bonded Turntrans78.3-5.3-173.100000115.3S16S16-G18 PolarHBondContact O-N 3.49Å; S16-G18 VanDerWaalsContact O-N 3.12Å
19T72.4Confident77Confident50 Ų5061.2 Ų61.231%0.30739%0.385SS..EExtended strand (participates in β ladder)trans-94.6139.6176.3-56.70000110.3V15 S16 G17 F21 M145V15-T19 WeakPolarHBondContact CA-O 3.49Å; S16-T19 PolarHBondContact N-O 3.01Å; S16-T19 PolarHBondContact O-N 2.95Å; S16-T19 VanDerWaalsContact O-O 3.14Å; G17-T19 PolarHBondContact O-N 2.63Å; T19-F21 HydrophobicContact CG2-CD2 4.45Å; T19-F21 HydrophobicContact CG2-CE2 3.89Å; T19-F21 HydrophobicContact CG2-CZ 4.04Å; T19-M145 HydrophobicContact CG2-CB 4.41Å; T19-M145 HydrophobicContact CG2-CE 4.21Å; T19-M145 HydrophobicContact CG2-CG 3.44Å; T19-M145 VanDerWaalsContact CG2-CG 3.44Å
20T76.6Confident77.1Confident54 Ų5462.7 Ų62.733%0.33140%0.399SS..EExtended strand (participates in β ladder)trans-98.1118176.8-59.30000110.5K13 V15 M145K13-T20 HydrophobicContact CB-CG2 4.27Å; K13-T20 HydrophobicContact CD-CG2 3.85Å; V15-T20 HydrophobicContact CG2-CG2 4.49Å; T20-M145 PolarHBondContact O-N 3.26Å
21F82.4Confident77.2Confident10 Ų1060.1 Ų60.14%0.04438%0.384CS..EExtended strand (participates in β ladder)trans-98.8121.3174.1-65-92.6000109.9K13 V14 T19 Y23 F129 L133 M145 V147K13-F21 CarbonylContact C-O 3.54Å; K13-F21 VanDerWaalsContact CA-O 3.27Å; K13-F21 WeakPolarHBondContact CA-O 3.45Å; V14-F21 PolarHBondContact N-O 2.81Å; V14-F21 PolarHBondContact O-N 3.13Å; T19-F21 HydrophobicContact CG2-CD2 4.45Å; T19-F21 HydrophobicContact CG2-CE2 3.89Å; T19-F21 HydrophobicContact CG2-CZ 4.04Å; F21-Y23 HydrophobicContact CB-CD2 4.17Å; F21-Y23 HydrophobicContact CB-CE2 3.59Å; F21-Y23 HydrophobicContact CG-CE2 4.45Å; F21-F129 HydrophobicContact CE1-CZ 4.35Å; F21-L133 HydrophobicContact CE1-CD1 4.41Å; F21-L133 HydrophobicContact CE1-CD2 3.71Å; F21-L133 HydrophobicContact CZ-CD1 3.94Å; F21-L133 HydrophobicContact CZ-CD2 3.68Å; F21-L133 HydrophobicContact CZ-CG 4.49Å; F21-M145 WeakPolarHBondContact CA-O 3.43Å; F21-M145 HydrophobicContact CD1-CB 3.37Å; F21-M145 HydrophobicContact CD1-CG 3.93Å; F21-M145 HydrophobicContact CE1-CB 3.59Å; F21-M145 HydrophobicContact CE1-CG 3.6Å; F21-M145 HydrophobicContact CE1-SD 4.37Å; F21-M145 HydrophobicContact CG-CB 4.01Å; F21-M145 HydrophobicContact CZ-CB 4.39Å; F21-M145 HydrophobicContact CZ-CG 4.04Å; F21-V147 HydrophobicContact CD1-CG2 4.25Å
22T87.2Confident77.3Confident14 Ų1457.1 Ų57.19%0.08636%0.363CS..EExtended strand (participates in β ladder)trans-93115.9165.9-49.70000107.8K13 M145 L146 V147K13-T22 WeakPolarHBondContact CD-OG1 3.37Å; K13-T22 WeakPolarHBondContact CE-OG1 3.48Å; K13-T22 HydrophobicContact CG-CG2 4.18Å; K13-T22 PolarHBondContact NZ-OG1 3.28Å; T22-M145 PolarHBondContact N-O 3.18Å; T22-L146 HydrophobicContact CG2-CD1 4.15Å; T22-L146 CarbonylContact O-C 3.56Å; T22-L146 WeakPolarHBondContact O-CA 3.32Å; T22-L146 WeakPolarHBondContact O-CD1 3.28Å; T22-V147 PolarHBondContact O-N 3.32Å
23Y82.7Confident78Confident48 Ų4852.9 Ų52.919%0.18835%0.346CS..EExtended strand (participates in β ladder)trans-92.2133.4170.2-70.7-97.8000108.4S11 F12 V14 F21 V147S11-Y23 CarbonylContact C-O 3.49Å; S11-Y23 WeakPolarHBondContact CA-O 3.46Å; S11-Y23 WeakPolarHBondContact CB-O 3.13Å; F12-Y23 HydrophobicContact CD2-CD2 4.34Å; F12-Y23 HydrophobicContact CE1-CG 4.27Å; F12-Y23 AromaticContact CE2-CD2 3.74Å; F12-Y23 HydrophobicContact CE2-CD2 3.74Å; F12-Y23 AromaticContact CE2-CG 3.87Å; F12-Y23 HydrophobicContact CE2-CG 3.87Å; F12-Y23 VanDerWaalsContact CZ-CB 3.45Å; F12-Y23 HydrophobicContact CZ-CD1 4.29Å; F12-Y23 HydrophobicContact CZ-CD2 4.05Å; F12-Y23 AromaticContact CZ-CG 3.68Å; F12-Y23 HydrophobicContact CZ-CG 3.68Å; F12-Y23 PolarHBondContact N-O 3.18Å; F12-Y23 PolarHBondContact O-N 2.65Å; V14-Y23 HydrophobicContact CB-CE2 4.17Å; V14-Y23 HydrophobicContact CG2-CD2 4.06Å; V14-Y23 HydrophobicContact CG2-CE2 4Å; F21-Y23 HydrophobicContact CB-CD2 4.17Å; F21-Y23 HydrophobicContact CB-CE2 3.59Å; F21-Y23 HydrophobicContact CG-CE2 4.45Å; Y23-V147 WeakPolarHBondContact CA-O 3.45Å; Y23-V147 HydrophobicContact CD1-CB 3.66Å; Y23-V147 HydrophobicContact CD1-CG1 3.61Å; Y23-V147 HydrophobicContact CD1-CG2 4.22Å; Y23-V147 HydrophobicContact CE1-CB 3.82Å; Y23-V147 HydrophobicContact CE1-CG1 3.64Å; Y23-V147 HydrophobicContact CE1-CG2 3.91Å; Y23-V147 HydrophobicContact CG-CB 4.21Å
24A85.4Confident78.1Confident1 Ų150.2 Ų50.21%0.00834%0.337CS..EExtended strand (participates in β ladder)trans-127.7131.5176.300000109.4V9 P10 P26 F35 L146 V147 T149V9-A24 HydrophobicContact CG1-CB 3.95Å; P10-A24 WeakPolarHBondContact O-CA 3.4Å; A24-P26 WeakPolarHBondContact O-CD 3.43Å; A24-F35 HydrophobicContact CB-CE1 3.74Å; A24-F35 HydrophobicContact CB-CZ 3.93Å; A24-L146 HydrophobicContact CB-CD1 4.2Å; A24-V147 PolarHBondContact N-O 3.09Å; A24-T149 PolarHBondContact O-N 3.38Å; A24-T149 VanDerWaalsContact O-N 3.1Å; A24-T149 PolarHBondContact O-OG1 2.82Å; A24-T149 VanDerWaalsContact O-OG1 3.04Å
25S83.3Confident78.5Confident49 Ų4948.6 Ų48.634%0.34333%0.325SS..  trans-116.385-177.6-58.40000111.3P10 T149P10-S25 PolarHBondContact O-N 3.14Å; S25-T149 WeakPolarHBondContact CA-OG1 3.39Å; S25-T149 PolarHBondContact OG-OG1 3.05Å
26P83.6Confident79.2Confident3 Ų343.9 Ų43.92%0.01930%0.296CS..  trans-67.8152.8174.3-15.831.6000111.5V9 A24 S28 A31 S32 F35 I148 C151V9-P26 HydrophobicContact CG1-CB 4.33Å; V9-P26 HydrophobicContact CG1-CG 3.94Å; V9-P26 HydrophobicContact CG2-CB 4.41Å; V9-P26 HydrophobicContact CG2-CG 4.45Å; A24-P26 WeakPolarHBondContact O-CD 3.43Å; P26-S28 VanDerWaalsContact C-N 3.31Å; P26-S28 PolarHBondContact O-N 2.83Å; P26-A31 HydrophobicContact CB-CB 4.07Å; P26-S32 WeakPolarHBondContact CB-OG 3.27Å; P26-S32 VanDerWaalsContact CG-OG 3.31Å; P26-S32 WeakPolarHBondContact CG-OG 3.49Å; P26-F35 HydrophobicContact CG-CD1 4.41Å; P26-I148 HydrophobicContact CG-CG2 4.11Å; P26-C151 WeakPolarHBondContact O-CB 3.41Å
27K75.4Confident80.3Confident175 Ų17540.3 Ų40.376%0.76127%0.271SS*.SBendtrans-76.6-8.8-170.6-61.8-171.8178.6-173.80115.8
28S79.1Confident81.4Confident32 Ų3238.4 Ų38.422%0.22424%0.24CC..SBendtrans-165.7164-179.564.70000110.2P26 A30 A31 S32 E153P26-S28 VanDerWaalsContact C-N 3.31Å; P26-S28 PolarHBondContact O-N 2.83Å; S28-A30 PolarHBondContact O-N 3.25Å; S28-A31 PolarHBondContact O-N 3.05Å; S28-A31 VanDerWaalsContact O-N 3.11Å; S28-A31 PolarHBondContact OG-N 2.9Å; S28-S32 PolarHBondContact O-N 3.48Å; S28-S32 PolarHBondContact O-OG 2.81Å; S28-E153 WeakPolarHBondContact CB-OE1 3.42Å
29G77.1Confident82.4Confident42 Ų4235.8 Ų35.843%0.43321%0.21SC..Hα-helixtrans-58-34.4176.900000113.7L33G29-L33 WeakPolarHBondContact O-CG 3.41Å; G29-L33 PolarHBondContact O-N 3.41Å
30A78.5Confident83Confident52 Ų5234.2 Ų34.243%0.4320%0.199SC..Hα-helixtrans-67.4-46.6173.900000111.7S28 S32 L33 D34S28-A30 PolarHBondContact O-N 3.25Å; A30-S32 PolarHBondContact O-N 3.3Å; A30-L33 PolarHBondContact O-N 2.72Å; A30-L33 VanDerWaalsContact O-N 3.09Å; A30-D34 PolarHBondContact O-N 2.91Å
31A80.1Confident83.2Confident23 Ų2338.1 Ų38.119%0.1921%0.208CC..Hα-helixtrans-61.7-32177.300000112.4P26 S28 F35P26-A31 HydrophobicContact CB-CB 4.07Å; S28-A31 PolarHBondContact O-N 3.05Å; S28-A31 VanDerWaalsContact O-N 3.11Å; S28-A31 PolarHBondContact OG-N 2.9Å; A31-F35 VanDerWaalsContact O-CB 3.22Å; A31-F35 WeakPolarHBondContact O-CB 3.27Å; A31-F35 PolarHBondContact O-N 3.41Å
32S83Confident82.8Confident15 Ų1544.8 Ų44.811%0.10524%0.237CC..Hα-helixtrans-62.6-43172.7-62.70000112.9P26 S28 A30 L36P26-S32 WeakPolarHBondContact CB-OG 3.27Å; P26-S32 VanDerWaalsContact CG-OG 3.31Å; P26-S32 WeakPolarHBondContact CG-OG 3.49Å; S28-S32 PolarHBondContact O-N 3.48Å; S28-S32 PolarHBondContact O-OG 2.81Å; A30-S32 PolarHBondContact O-N 3.3Å; S32-L36 WeakPolarHBondContact O-CB 3.31Å; S32-L36 PolarHBondContact O-N 2.13Å
33L88Confident81.8Confident23 Ų2347.1 Ų47.112%0.1224%0.244CC..Hα-helixtrans-73.1-34.7179.4-66.7163.5000111.9G29 A30 A37 L63 E66 R70G29-L33 WeakPolarHBondContact O-CG 3.41Å; G29-L33 PolarHBondContact O-N 3.41Å; A30-L33 PolarHBondContact O-N 2.72Å; A30-L33 VanDerWaalsContact O-N 3.09Å; L33-A37 VanDerWaalsContact O-CB 3.28Å; L33-A37 WeakPolarHBondContact O-CB 3.38Å; L33-A37 PolarHBondContact O-N 3.24Å; L33-L63 HydrophobicContact CD2-CD1 3.73Å; L33-E66 HydrophobicContact CD1-CB 4Å; L33-E66 HydrophobicContact CD1-CG 4.03Å; L33-E66 WeakPolarHBondContact CD1-OE2 3.36Å; L33-E66 HydrophobicContact CD2-CB 3.89Å; L33-E66 HydrophobicContact CD2-CG 4.5Å; L33-R70 VanDerWaalsContact CB-CZ 3.48Å
34D84.3Confident80.4Confident69 Ų6951.5 Ų51.537%0.36927%0.266SS..Hα-helixtrans-70.9-41.3175.8-63.3-21.5000111.8A30 A37 H38 R70A30-D34 PolarHBondContact O-N 2.91Å; D34-A37 PolarHBondContact O-N 3.06Å; D34-H38 WeakPolarHBondContact O-CB 2.88Å; D34-H38 PolarHBondContact O-N 2.71Å; D34-R70 IonicContact OD1-CZ 3.1Å; D34-R70 IonicContact OD1-NE 3.95Å; D34-R70 PolarHBondContact OD1-NE 2.91Å; D34-R70 IonicContact OD1-NH2 3.08Å
35F85.7Confident78.9Confident27 Ų2754.6 Ų54.612%0.11829%0.292CS..Hα-helixtrans-62.1-44.1171.5171.7-108.1000112V9 A24 P26 A31 H38 T39 L146 I148V9-F35 HydrophobicContact CB-CD2 3.97Å; V9-F35 HydrophobicContact CB-CE2 4.04Å; V9-F35 HydrophobicContact CB-CG 4.42Å; V9-F35 HydrophobicContact CG2-CB 3.92Å; V9-F35 HydrophobicContact CG2-CD1 4.48Å; V9-F35 HydrophobicContact CG2-CD2 3.44Å; V9-F35 VanDerWaalsContact CG2-CD2 3.44Å; V9-F35 HydrophobicContact CG2-CE2 4.04Å; V9-F35 HydrophobicContact CG2-CG 3.7Å; A24-F35 HydrophobicContact CB-CE1 3.74Å; A24-F35 HydrophobicContact CB-CZ 3.93Å; P26-F35 HydrophobicContact CG-CD1 4.41Å; A31-F35 VanDerWaalsContact O-CB 3.22Å; A31-F35 WeakPolarHBondContact O-CB 3.27Å; A31-F35 PolarHBondContact O-N 3.41Å; F35-H38 PolarHBondContact O-N 2.82Å; F35-T39 WeakPolarHBondContact O-CB 3.4Å; F35-T39 PolarHBondContact O-N 2.84Å; F35-T39 PolarHBondContact O-OG1 3.46Å; F35-L146 HydrophobicContact CE1-CD2 4.33Å; F35-I148 HydrophobicContact CD1-CD1 4.22Å; F35-I148 HydrophobicContact CE1-CD1 4.49Å; F35-I148 HydrophobicContact CE1-CG1 4.47Å
36L88.3Confident77.4Confident3 Ų357.8 Ų57.82%0.01631%0.305CS..Hα-helixtrans-63.5-45177-175.758.5000111.4S32 T39 L40 L52 L63 L67 I119 T121 I148S32-L36 WeakPolarHBondContact O-CB 3.31Å; S32-L36 PolarHBondContact O-N 2.13Å; L36-T39 PolarHBondContact O-N 3.32Å; L36-L40 HydrophobicContact CD1-CD1 4.15Å; L36-L40 HydrophobicContact CD1-CG 4.41Å; L36-L40 HydrophobicContact CG-CD1 4.04Å; L36-L40 WeakPolarHBondContact O-CB 3.28Å; L36-L40 VanDerWaalsContact O-CG 3.31Å; L36-L40 WeakPolarHBondContact O-CG 3.35Å; L36-L40 PolarHBondContact O-N 3.17Å; L36-L52 HydrophobicContact CD1-CD2 3.76Å; L36-L52 HydrophobicContact CD2-CD2 4.02Å; L36-L52 HydrophobicContact CG-CD2 4.27Å; 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 4.16Å; L36-L67 HydrophobicContact CG-CD2 4.09Å; L36-I119 HydrophobicContact CD1-CD1 3.58Å; L36-I119 HydrophobicContact CD1-CG2 3.87Å; L36-T121 HydrophobicContact CD2-CG2 3.82Å; L36-I148 HydrophobicContact CB-CD1 4.11Å; L36-I148 HydrophobicContact CD1-CD1 3.99Å; L36-I148 HydrophobicContact CD2-CD1 4.46Å; L36-I148 HydrophobicContact CG-CD1 4.43Å
37A87.6Confident76.2Confident0 Ų061.9 Ų61.90%033%0.33CS..Hα-helixtrans-63.2-42.1175.600000111.9L33 D34 L40 R41 L67 R70 V72L33-A37 VanDerWaalsContact O-CB 3.28Å; L33-A37 WeakPolarHBondContact O-CB 3.38Å; L33-A37 PolarHBondContact O-N 3.24Å; D34-A37 PolarHBondContact O-N 3.06Å; A37-L40 PolarHBondContact O-N 3.49Å; A37-R41 WeakPolarHBondContact O-CB 3.34Å; A37-R41 VanDerWaalsContact O-CG 3.32Å; A37-R41 WeakPolarHBondContact O-CG 3.4Å; A37-R41 PolarHBondContact O-N 3.04Å; A37-L67 HydrophobicContact CB-CD2 4.14Å; A37-R70 HydrophobicContact CB-CB 3.77Å; A37-R70 HydrophobicContact CB-CG 4.47Å; A37-V72 HydrophobicContact CB-CG2 3.86Å
38H84.5Confident75.9Confident44 Ų4456.8 Ų56.820%0.20431%0.309CS..Hα-helixtrans-60.6-45.1173.5-179.190.1000111.8L7 D34 F35 L40 R41 K42L7-H38 HydrophobicContact CD1-CB 4.06Å; D34-H38 WeakPolarHBondContact O-CB 2.88Å; D34-H38 PolarHBondContact O-N 2.71Å; F35-H38 PolarHBondContact O-N 2.82Å; H38-L40 PolarHBondContact O-N 3.49Å; H38-R41 PolarHBondContact O-N 2.79Å; H38-K42 WeakPolarHBondContact O-CB 3.46Å; H38-K42 PolarHBondContact O-N 3.28Å
39T84.4Confident76.2Confident18 Ų1857 Ų5711%0.1131%0.306CS..Hα-helixtrans-60.2-43.6178.1-60.90000111.9F35 L36 R43 L117 L146F35-T39 WeakPolarHBondContact O-CB 3.4Å; F35-T39 PolarHBondContact O-N 2.84Å; F35-T39 PolarHBondContact O-OG1 3.46Å; L36-T39 PolarHBondContact O-N 3.32Å; T39-R43 PolarHBondContact O-N 2.98Å; T39-L117 HydrophobicContact CG2-CD2 4.46Å; T39-L146 HydrophobicContact CG2-CD2 4.18Å
40L85.6Confident76.7Confident17 Ų1755.3 Ų55.39%0.08929%0.288CS..Hα-helixtrans-74.5-26.4179.1-66.8169.7000113.7L36 A37 H38 T50 L52 L67 V72 A99 I119L36-L40 HydrophobicContact CD1-CD1 4.15Å; L36-L40 HydrophobicContact CD1-CG 4.41Å; L36-L40 HydrophobicContact CG-CD1 4.04Å; L36-L40 WeakPolarHBondContact O-CB 3.28Å; L36-L40 VanDerWaalsContact O-CG 3.31Å; L36-L40 WeakPolarHBondContact O-CG 3.35Å; L36-L40 PolarHBondContact O-N 3.17Å; A37-L40 PolarHBondContact O-N 3.49Å; H38-L40 PolarHBondContact O-N 3.49Å; L40-T50 HydrophobicContact CD2-CG2 3.73Å; L40-L52 HydrophobicContact CD1-CD1 4Å; L40-L52 HydrophobicContact CD1-CD2 4.23Å; L40-L52 HydrophobicContact CD2-CD1 4.48Å; L40-L67 HydrophobicContact CD1-CD1 3.92Å; L40-L67 HydrophobicContact CD1-CD2 4.2Å; L40-V72 HydrophobicContact CB-CG1 3.74Å; L40-V72 HydrophobicContact CD1-CG1 3.85Å; L40-V72 HydrophobicContact CG-CG1 4.42Å; L40-A99 HydrophobicContact CD2-CB 3.95Å; L40-I119 HydrophobicContact CD2-CD1 4.13Å
41R80.8Confident77.3Confident136 Ų13652.9 Ų52.951%0.51327%0.267SS..Hα-helixtrans-82.6-25.2172.6-69-169.1-130.7118.6-5.2113.5A37 H38 R70 V72A37-R41 WeakPolarHBondContact O-CB 3.34Å; A37-R41 VanDerWaalsContact O-CG 3.32Å; A37-R41 WeakPolarHBondContact O-CG 3.4Å; A37-R41 PolarHBondContact O-N 3.04Å; H38-R41 PolarHBondContact O-N 2.79Å; R41-R70 PolarHBondContact NE-O 3.05Å; R41-R70 VanDerWaalsContact NE-O 3.08Å; R41-R70 PolarHBondContact NH2-O 2.88Å; R41-V72 HydrophobicContact CG-CG2 3.83Å
42K74.5Confident77.9Confident150 Ų15051.8 Ų51.865%0.65226%0.258SS*.Hα-helixtrans-82.2-27.2-177.9-177.5170180173.20113.3H38H38-K42 WeakPolarHBondContact O-CB 3.46Å; H38-K42 PolarHBondContact O-N 3.28Å
43R66.6Low78.3Confident63 Ų6351 Ų5124%0.23825%0.253CS..SBendtrans-83.3140.5170.5-71.8169.1178.6-104.410.2109.4T39 A45 E48 E144T39-R43 PolarHBondContact O-N 2.98Å; R43-A45 PolarHBondContact O-N 3.29Å; R43-A45 VanDerWaalsContact O-N 3.14Å; R43-E48 WeakPolarHBondContact CD-OE2 3.2Å; R43-E48 VanDerWaalsContact CG-OE2 3.24Å; R43-E48 WeakPolarHBondContact CG-OE2 3.02Å; R43-E48 IonicContact CZ-OE2 2.71Å; R43-E48 IonicContact NE-OE2 3.69Å; R43-E48 IonicContact NH1-OE1 2.69Å; R43-E48 IonicContact NH1-OE2 3.7Å; R43-E48 PolarHBondContact NH1-OE2 3.25Å; R43-E144 IonicContact CZ-OE2 3.81Å; R43-E144 IonicContact NH2-OE2 2.72Å; R43-E144 PolarHBondContact NH2-OE2 2.67Å
44E53.1Low78.5Confident139 Ų13950 Ų5065%0.6525%0.248SC*.  trans-68.5111.1-176.7-78.3-176.2171.600111.2N46 T47 E48E44-N46 PolarHBondContact O-N 3.25Å; E44-T47 WeakPolarHBondContact CB-OG1 3.28Å; E44-T47 PolarHBondContact O-N 2.96Å; E44-T47 VanDerWaalsContact O-N 3.1Å; E44-T47 PolarHBondContact O-OG1 3.39Å; E44-T47 PolarHBondContact OE2-OG1 2.8Å; E44-E48 PolarHBondContact O-N 2.9Å
45A53.7Low78.6Confident66 Ų6649.6 Ų49.655%0.54524%0.243SC..THydrogen-bonded Turntrans-69.627-178.300000115R43 N97R43-A45 PolarHBondContact O-N 3.29Å; R43-A45 VanDerWaalsContact O-N 3.14Å; A45-N97 WeakPolarHBondContact O-CB 3.37Å
46N52.5Low78.6Confident117 Ų11752.9 Ų52.963%0.62626%0.259SS*.THydrogen-bonded Turntrans-136.4-8.1173.4-77.8-45.7000113.8E44 N97E44-N46 PolarHBondContact O-N 3.25Å; N46-N97 PolarHBondContact OD1-ND2 2.77Å
47T56.9Low78.5Confident89 Ų8954.8 Ų54.855%0.54627%0.269SS..THydrogen-bonded Turntrans-126.2-29.6-174.345.70000113.2E44E44-T47 WeakPolarHBondContact CB-OG1 3.28Å; E44-T47 PolarHBondContact O-N 2.96Å; E44-T47 VanDerWaalsContact O-N 3.1Å; E44-T47 PolarHBondContact O-OG1 3.39Å; E44-T47 PolarHBondContact OE2-OG1 2.8Å
48E70.3Confident78.2Confident68 Ų6860.8 Ų60.832%0.31830%0.296SS..  trans-108.4120.2178.8-67.5-170.3-178.800113.8R43 E44 T50 N116R43-E48 WeakPolarHBondContact CD-OE2 3.2Å; R43-E48 VanDerWaalsContact CG-OE2 3.24Å; R43-E48 WeakPolarHBondContact CG-OE2 3.02Å; R43-E48 IonicContact CZ-OE2 2.71Å; R43-E48 IonicContact NE-OE2 3.69Å; R43-E48 IonicContact NH1-OE1 2.69Å; R43-E48 IonicContact NH1-OE2 3.7Å; R43-E48 PolarHBondContact NH1-OE2 3.25Å; E44-E48 PolarHBondContact O-N 2.9Å; E48-T50 PolarHBondContact O-N 3.41Å; E48-N116 HydrophobicContact CB-CB 4.22Å; E48-N116 HydrophobicContact CG-CB 4.37Å
49K84.5Confident78.3Confident35 Ų3560.1 Ų60.115%0.15229%0.293CS..  trans-82.3112.3174.2-71.4170-177.9164.50110.5W91 S92 E114 N116 L117K49-W91 HydrophobicContact CB-CH2 3.75Å; K49-W91 HydrophobicContact CB-CZ2 3.8Å; K49-W91 HydrophobicContact CB-CZ3 4.47Å; K49-W91 HydrophobicContact CG-CH2 4.44Å; K49-W91 HydrophobicContact CG-CZ2 4.37Å; K49-S92 PolarHBondContact NZ-O 3.04Å; K49-E114 WeakPolarHBondContact CD-O 3.46Å; K49-E114 IonicContact NZ-OE2 2.67Å; K49-N116 PolarHBondContact N-OD1 3.49Å; K49-N116 PolarHBondContact O-N 2.9Å; K49-L117 PolarHBondContact O-N 2.87Å
50T88.6Confident78.5Confident8 Ų859.2 Ų59.25%0.04929%0.287CS..EExtended strand (participates in β ladder)trans-109.9133.1-180-60.30000112.4L40 E48 A99 L100 L117 I119L40-T50 HydrophobicContact CD2-CG2 3.73Å; E48-T50 PolarHBondContact O-N 3.41Å; T50-A99 HydrophobicContact CG2-CB 4.38Å; T50-A99 WeakPolarHBondContact O-CA 3.45Å; T50-L100 PolarHBondContact O-N 3.02Å; T50-L117 WeakPolarHBondContact CA-O 3.5Å; T50-L117 HydrophobicContact CG2-CB 4.17Å; T50-L117 HydrophobicContact CG2-CD2 3.86Å; T50-L117 HydrophobicContact CG2-CG 4.12Å; T50-I119 HydrophobicContact CG2-CD1 3.88Å; T50-I119 HydrophobicContact CG2-CG1 4.06Å
51I91Very high78.6Confident0 Ų063.5 Ų63.50%031%0.307CS..EExtended strand (participates in β ladder)trans-106.2140.3171.5-56.7-179.5000109.7I53 W91 L100 L102 L110 V113 A115 L117 V118 I119I51-I53 HydrophobicContact CG2-CD1 4.31Å; I51-I53 HydrophobicContact CG2-CG1 3.82Å; I51-W91 HydrophobicContact CD1-CH2 3.98Å; I51-W91 HydrophobicContact CD1-CZ3 4.29Å; I51-W91 HydrophobicContact CG1-CH2 3.52Å; I51-W91 HydrophobicContact CG1-CZ2 4.11Å; I51-W91 HydrophobicContact CG1-CZ3 4.28Å; I51-L100 CarbonylContact C-O 3.53Å; I51-L100 WeakPolarHBondContact CA-O 3.42Å; I51-L102 HydrophobicContact CG2-CD2 3.71Å; I51-L102 HydrophobicContact CG2-CG 4.18Å; I51-L110 HydrophobicContact CD1-CD2 4.26Å; I51-V113 HydrophobicContact CD1-CG2 4.33Å; I51-A115 HydrophobicContact CD1-CB 3.77Å; I51-A115 HydrophobicContact CG1-CB 3.99Å; I51-L117 PolarHBondContact N-O 3.48Å; I51-V118 HydrophobicContact CB-CG2 4.36Å; I51-I119 PolarHBondContact O-N 3.35Å
52L92.6Very high78.9Confident0 Ų064.7 Ų64.70%031%0.311CS..EExtended strand (participates in β ladder)trans-119.5119.3178-72.6149.4000108.2L36 L40 L63 L67 T74 A99 L100 I101 L102 I119 T121L36-L52 HydrophobicContact CD1-CD2 3.76Å; L36-L52 HydrophobicContact CD2-CD2 4.02Å; L36-L52 HydrophobicContact CG-CD2 4.27Å; L40-L52 HydrophobicContact CD1-CD1 4Å; L40-L52 HydrophobicContact CD1-CD2 4.23Å; L40-L52 HydrophobicContact CD2-CD1 4.48Å; L52-L63 HydrophobicContact CB-CD2 4.41Å; L52-L63 HydrophobicContact CD2-CD2 4.47Å; L52-L67 HydrophobicContact CD1-CD1 4.25Å; L52-T74 HydrophobicContact CD1-CG2 4.19Å; L52-A99 HydrophobicContact CD1-CB 3.67Å; L52-L100 PolarHBondContact N-O 2.89Å; L52-I101 HydrophobicContact CB-CB 4.28Å; L52-I101 HydrophobicContact CB-CG1 3.77Å; L52-I101 HydrophobicContact CD1-CD1 4.35Å; L52-I101 HydrophobicContact CD1-CG1 3.57Å; L52-I101 HydrophobicContact CG-CG1 4.29Å; L52-I101 WeakPolarHBondContact O-CA 3.39Å; L52-L102 PolarHBondContact O-N 2.88Å; L52-I119 WeakPolarHBondContact CA-O 3.38Å; L52-I119 HydrophobicContact CD2-CB 4.04Å; L52-I119 HydrophobicContact CD2-CD1 4.03Å; L52-I119 HydrophobicContact CD2-CG1 4.47Å; L52-I119 HydrophobicContact CD2-CG2 4.41Å; L52-T121 HydrophobicContact CD2-CG2 3.95Å
53I91.6Very high79.6Confident0 Ų058.1 Ų58.10%028%0.283CS..EExtended strand (participates in β ladder)trans-116.2115.5-172.7-51.7179.1000110.4I51 L102 L107 V118 I119 T121 L136I51-I53 HydrophobicContact CG2-CD1 4.31Å; I51-I53 HydrophobicContact CG2-CG1 3.82Å; I53-L102 WeakPolarHBondContact CA-O 3.43Å; I53-L102 HydrophobicContact CG1-CD1 4.09Å; I53-L102 HydrophobicContact CG1-CG 4.5Å; I53-L102 HydrophobicContact CG2-CD1 4.15Å; I53-L107 HydrophobicContact CD1-CD2 4.11Å; I53-V118 HydrophobicContact CD1-CG1 3.42Å; I53-V118 VanDerWaalsContact CD1-CG1 3.42Å; I53-V118 HydrophobicContact CG1-CG1 4.09Å; I53-I119 PolarHBondContact N-O 3.43Å; I53-T121 PolarHBondContact O-N 2.88Å; I53-T121 PolarHBondContact O-OG1 2.95Å; I53-L136 HydrophobicContact CD1-CD1 3.74Å; I53-L136 HydrophobicContact CD1-CD2 3.93Å; I53-L136 HydrophobicContact CD1-CG 4.35Å
54C90.9Very high80.8Confident1 Ų159.2 Ų59.21%0.00729%0.29CS..EExtended strand (participates in β ladder)trans-99.8168.7167.7-44.20000110.4E59 A60 L63 L102 C103 D104 T121 T122C54-E59 HydrophobicContact CB-CB 3.74Å; C54-A60 HydrophobicContact CB-CB 4.19Å; C54-L63 VanDerWaalsContact SG-CD2 3.55Å; C54-L102 PolarHBondContact N-O 2.86Å; C54-C103 CarbonylContact O-C 3.52Å; C54-C103 VanDerWaalsContact O-CA 3.29Å; C54-C103 WeakPolarHBondContact O-CA 3.39Å; C54-D104 PolarHBondContact O-N 2.84Å; C54-T121 PolarHBondContact SG-OG1 3.07Å; C54-T122 WeakPolarHBondContact CA-OG1 3.33Å
55Q88.1Confident82.4Confident60 Ų6058.6 Ų58.628%0.2829%0.285SS..SBendtrans-81.7-47.8175.1-169.6178.620.800110.3E59 D104 T122 P124Q55-E59 WeakPolarHBondContact CB-OE2 3.25Å; Q55-E59 PolarHBondContact N-OE2 3.5Å; Q55-D104 WeakPolarHBondContact CA-OD2 3.48Å; Q55-D104 PolarHBondContact O-N 2.98Å; Q55-T122 PolarHBondContact N-OG1 2.86Å; Q55-P124 HydrophobicContact CG-CB 4.26Å
56Q85.6Confident84.1Confident97 Ų9756.8 Ų56.845%0.45327%0.266SS..SBendtrans-117.8156-174.6-56.3-170.956.900113.5F58 E59 A60Q56-F58 VanDerWaalsContact C-N 3.31Å; Q56-F58 HydrophobicContact CB-CD1 3.8Å; Q56-F58 HydrophobicContact CB-CE1 3.76Å; Q56-F58 HydrophobicContact CG-CE1 4.23Å; Q56-F58 PolarHBondContact O-N 3.19Å; Q56-E59 HydrophobicContact CB-CG 4.31Å; Q56-E59 WeakPolarHBondContact CB-OE1 3.37Å; Q56-E59 WeakPolarHBondContact CG-OE1 3.41Å; Q56-E59 PolarHBondContact N-OE1 2.99Å; Q56-E59 PolarHBondContact N-OE2 3.12Å; Q56-E59 WeakPolarHBondContact O-CB 3.1Å; Q56-E59 PolarHBondContact O-N 3.04Å; Q56-A60 PolarHBondContact O-N 3.32Å
57N84.7Confident85.8Confident42 Ų4251.2 Ų51.223%0.22524%0.236CC..Hα-helixtrans-63.5-33.4-178.9-179.677.5000113.1E59 A60 E61 P79N57-E59 VanDerWaalsContact C-N 3.33Å; N57-E59 PolarHBondContact O-N 3.41Å; N57-A60 WeakPolarHBondContact O-CB 3.31Å; N57-A60 PolarHBondContact O-N 2.98Å; N57-E61 VanDerWaalsContact ND2-CD 3.31Å; N57-E61 PolarHBondContact ND2-OE1 2.92Å; N57-E61 WeakPolarHBondContact O-CG 3.25Å; N57-E61 PolarHBondContact O-N 3.49Å; N57-P79 HydrophobicContact CB-CG 4.2Å; N57-P79 WeakPolarHBondContact OD1-CD 3.36Å
58F82.1Confident87.1Confident126 Ų12649.7 Ų49.755%0.55323%0.232SC*.Hα-helixtrans-68.6-32.9177.780.4-98.6000112.1Q56 A60 R62Q56-F58 VanDerWaalsContact C-N 3.31Å; Q56-F58 HydrophobicContact CB-CD1 3.8Å; Q56-F58 HydrophobicContact CB-CE1 3.76Å; Q56-F58 HydrophobicContact CG-CE1 4.23Å; Q56-F58 PolarHBondContact O-N 3.19Å; F58-A60 VanDerWaalsContact C-N 3.35Å; F58-R62 WeakPolarHBondContact O-CB 3.26Å; F58-R62 PolarHBondContact O-N 2.87Å
59E87.4Confident87.8Confident30 Ų3052.5 Ų52.514%0.1425%0.245CC..Hα-helixtrans-64.1-43.9172-62.3160.8-144.700110C54 Q55 Q56 N57 R62 L63 T122C54-E59 HydrophobicContact CB-CB 3.74Å; Q55-E59 WeakPolarHBondContact CB-OE2 3.25Å; Q55-E59 PolarHBondContact N-OE2 3.5Å; Q56-E59 HydrophobicContact CB-CG 4.31Å; Q56-E59 WeakPolarHBondContact CB-OE1 3.37Å; Q56-E59 WeakPolarHBondContact CG-OE1 3.41Å; Q56-E59 PolarHBondContact N-OE1 2.99Å; Q56-E59 PolarHBondContact N-OE2 3.12Å; Q56-E59 WeakPolarHBondContact O-CB 3.1Å; Q56-E59 PolarHBondContact O-N 3.04Å; N57-E59 VanDerWaalsContact C-N 3.33Å; N57-E59 PolarHBondContact O-N 3.41Å; E59-R62 PolarHBondContact O-N 2.86Å; E59-L63 WeakPolarHBondContact O-CB 3.39Å; E59-L63 PolarHBondContact O-N 3.36Å; E59-T122 WeakPolarHBondContact OE2-CG2 3.44Å; E59-T122 PolarHBondContact OE2-OG1 3.11Å
60A87.9Confident87.8Confident0 Ų052.9 Ų52.90%025%0.246CC..Hα-helixtrans-65.9-38.4179.300000112.8C54 Q56 N57 F58 K64 L76 I101C54-A60 HydrophobicContact CB-CB 4.19Å; Q56-A60 PolarHBondContact O-N 3.32Å; N57-A60 WeakPolarHBondContact O-CB 3.31Å; N57-A60 PolarHBondContact O-N 2.98Å; F58-A60 VanDerWaalsContact C-N 3.35Å; A60-K64 WeakPolarHBondContact O-CB 3.45Å; A60-K64 PolarHBondContact O-N 3.5Å; A60-K64 VanDerWaalsContact O-N 3.14Å; A60-L76 HydrophobicContact CB-CD1 3.52Å; A60-I101 HydrophobicContact CB-CG2 3.78Å
61E86.8Confident87.4Confident106 Ų10658.5 Ų58.550%0.49528%0.276SS..Hα-helixtrans-66.8-44.6171.8-76177.5-171.400112.1N57 K64 F65 L76N57-E61 VanDerWaalsContact ND2-CD 3.31Å; N57-E61 PolarHBondContact ND2-OE1 2.92Å; N57-E61 WeakPolarHBondContact O-CG 3.25Å; N57-E61 PolarHBondContact O-N 3.49Å; E61-K64 PolarHBondContact O-N 2.88Å; E61-F65 PolarHBondContact O-N 3.48Å; E61-L76 HydrophobicContact CB-CD2 4.37Å; E61-L76 HydrophobicContact CG-CD2 3.44Å; E61-L76 VanDerWaalsContact CG-CD2 3.44Å
62R88.3Confident87.1Confident161 Ų16159 Ų5961%0.60828%0.279SS*.Hα-helixtrans-63.5-46.7175.3-179.7178.9174-171.9-2.5111.5F58 E59 K64 F65 E66F58-R62 WeakPolarHBondContact O-CB 3.26Å; F58-R62 PolarHBondContact O-N 2.87Å; E59-R62 PolarHBondContact O-N 2.86Å; R62-K64 VanDerWaalsContact C-N 3.29Å; R62-K64 PolarHBondContact O-N 3.33Å; R62-F65 WeakPolarHBondContact O-CA 3.08Å; R62-F65 WeakPolarHBondContact O-CB 3.36Å; R62-F65 PolarHBondContact O-N 3.46Å; R62-E66 HydrophobicContact CG-CG 3.9Å; R62-E66 IonicContact CZ-OE1 2.66Å; R62-E66 VanDerWaalsContact CZ-OE1 3.3Å; R62-E66 IonicContact NE-OE1 3.7Å; R62-E66 PolarHBondContact NE-OE1 3.29Å; R62-E66 IonicContact NH2-OE1 3.76Å; R62-E66 PolarHBondContact NH2-OE1 3.01Å; R62-E66 VanDerWaalsContact O-CG 3.25Å; R62-E66 WeakPolarHBondContact O-CG 3.38Å; R62-E66 PolarHBondContact O-N 3.22Å
63L88.9Confident86.5Confident13 Ų1364.8 Ų64.87%0.06831%0.309CS..Hα-helixtrans-58.8-41.8180-178.866.4000111.3L33 L36 L52 C54 E59 F65 E66 L67 I101 T121L33-L63 HydrophobicContact CD2-CD1 3.73Å; L36-L63 HydrophobicContact CD2-CD1 3.74Å; L52-L63 HydrophobicContact CB-CD2 4.41Å; L52-L63 HydrophobicContact CD2-CD2 4.47Å; C54-L63 VanDerWaalsContact SG-CD2 3.55Å; E59-L63 WeakPolarHBondContact O-CB 3.39Å; E59-L63 PolarHBondContact O-N 3.36Å; L63-F65 VanDerWaalsContact C-N 3.3Å; L63-F65 PolarHBondContact O-N 3.17Å; L63-E66 PolarHBondContact O-N 2.89Å; L63-L67 HydrophobicContact CD1-CD1 4.04Å; L63-L67 HydrophobicContact CD1-CG 4.18Å; L63-L67 HydrophobicContact CG-CD1 3.95Å; L63-L67 HydrophobicContact CG-CG 4.44Å; L63-L67 VanDerWaalsContact O-CB 3.3Å; L63-L67 WeakPolarHBondContact O-CB 3.41Å; L63-L67 WeakPolarHBondContact O-CG 3.31Å; L63-L67 PolarHBondContact O-N 3.05Å; L63-I101 HydrophobicContact CD2-CD1 4.34Å; L63-I101 HydrophobicContact CD2-CG1 4.4Å; L63-I101 HydrophobicContact CD2-CG2 4.14Å; L63-I101 HydrophobicContact CG-CD1 4.28Å; L63-T121 HydrophobicContact CD2-CG2 3.82Å
64K91.8Very high86.4Confident85 Ų8565.1 Ų65.137%0.3731%0.312SS..Hα-helixtrans-60.1-40.3174.1177.5167.5176.8179.70112.2A60 E61 R62 A68 T74 L76 I101A60-K64 WeakPolarHBondContact O-CB 3.45Å; A60-K64 PolarHBondContact O-N 3.5Å; A60-K64 VanDerWaalsContact O-N 3.14Å; E61-K64 PolarHBondContact O-N 2.88Å; R62-K64 VanDerWaalsContact C-N 3.29Å; R62-K64 PolarHBondContact O-N 3.33Å; K64-A68 VanDerWaalsContact O-CB 3.28Å; K64-A68 WeakPolarHBondContact O-CB 3.48Å; K64-A68 PolarHBondContact O-N 3.1Å; K64-A68 VanDerWaalsContact O-N 3.08Å; K64-T74 WeakPolarHBondContact CE-O 3.27Å; K64-L76 HydrophobicContact CD-CB 3.66Å; K64-I101 HydrophobicContact CB-CD1 3.77Å; K64-I101 HydrophobicContact CG-CD1 4.48Å
65F87.1Confident86.4Confident126 Ų12666.7 Ų66.755%0.55332%0.32SS*.Hα-helixtrans-67.8-51.6177.3-175.3-90.6000111.4E61 R62 L63 L67 A68 E69E61-F65 PolarHBondContact O-N 3.48Å; R62-F65 WeakPolarHBondContact O-CA 3.08Å; R62-F65 WeakPolarHBondContact O-CB 3.36Å; R62-F65 PolarHBondContact O-N 3.46Å; L63-F65 VanDerWaalsContact C-N 3.3Å; L63-F65 PolarHBondContact O-N 3.17Å; F65-L67 VanDerWaalsContact C-N 3.28Å; F65-L67 PolarHBondContact O-N 2.62Å; F65-A68 WeakPolarHBondContact O-CB 3.37Å; F65-A68 PolarHBondContact O-N 3.18Å; F65-E69 HydrophobicContact CD1-CG 4.29Å; F65-E69 HydrophobicContact CE1-CG 3.9Å; F65-E69 VanDerWaalsContact CE1-OE1 3.28Å; F65-E69 WeakPolarHBondContact CE1-OE1 3.45Å; F65-E69 WeakPolarHBondContact CE1-OE2 3.18Å; F65-E69 HydrophobicContact CZ-CG 4.23Å; F65-E69 WeakPolarHBondContact CZ-OE1 3.4Å; F65-E69 PolarHBondContact O-N 3.24Å
66E89.9Confident86.5Confident29 Ų2965.2 Ų65.214%0.13631%0.314CS..Hα-helixtrans-59.8-33.6179.8-65.8-94.3-161.700112.9L33 R62 L63 R70L33-E66 HydrophobicContact CD1-CB 4Å; L33-E66 HydrophobicContact CD1-CG 4.03Å; L33-E66 WeakPolarHBondContact CD1-OE2 3.36Å; L33-E66 HydrophobicContact CD2-CB 3.89Å; L33-E66 HydrophobicContact CD2-CG 4.5Å; R62-E66 HydrophobicContact CG-CG 3.9Å; R62-E66 IonicContact CZ-OE1 2.66Å; R62-E66 VanDerWaalsContact CZ-OE1 3.3Å; R62-E66 IonicContact NE-OE1 3.7Å; R62-E66 PolarHBondContact NE-OE1 3.29Å; R62-E66 IonicContact NH2-OE1 3.76Å; R62-E66 PolarHBondContact NH2-OE1 3.01Å; R62-E66 VanDerWaalsContact O-CG 3.25Å; R62-E66 WeakPolarHBondContact O-CG 3.38Å; R62-E66 PolarHBondContact O-N 3.22Å; L63-E66 PolarHBondContact O-N 2.89Å; E66-R70 WeakPolarHBondContact O-CD 3.49Å; E66-R70 WeakPolarHBondContact O-CG 3.44Å; E66-R70 PolarHBondContact O-NH1 2.95Å; E66-R70 IonicContact OE2-CZ 3.26Å; E66-R70 IonicContact OE2-NH1 3.11Å; E66-R70 PolarHBondContact OE2-NH1 3.18Å; E66-R70 IonicContact OE2-NH2 3.52Å
67L86.6Confident86.4Confident0 Ų060.6 Ų60.60%029%0.292CS..Hα-helixtrans-77.5-33.2173.5-74.7176.9000112.7L36 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 4.16Å; L36-L67 HydrophobicContact CG-CD2 4.09Å; A37-L67 HydrophobicContact CB-CD2 4.14Å; L40-L67 HydrophobicContact CD1-CD1 3.92Å; L40-L67 HydrophobicContact CD1-CD2 4.2Å; L52-L67 HydrophobicContact CD1-CD1 4.25Å; L63-L67 HydrophobicContact CD1-CD1 4.04Å; L63-L67 HydrophobicContact CD1-CG 4.18Å; L63-L67 HydrophobicContact CG-CD1 3.95Å; L63-L67 HydrophobicContact CG-CG 4.44Å; L63-L67 VanDerWaalsContact O-CB 3.3Å; L63-L67 WeakPolarHBondContact O-CB 3.41Å; L63-L67 WeakPolarHBondContact O-CG 3.31Å; L63-L67 PolarHBondContact O-N 3.05Å; F65-L67 VanDerWaalsContact C-N 3.28Å; F65-L67 PolarHBondContact O-N 2.62Å; L67-R70 CarbonylContact O-C 3.58Å; L67-R70 VanDerWaalsContact O-C 3.29Å; L67-R70 WeakPolarHBondContact O-CA 3.44Å; L67-R70 PolarHBondContact O-N 2.75Å; L67-R70 VanDerWaalsContact O-N 3.07Å; L67-D71 PolarHBondContact O-N 3.27Å; L67-V72 HydrophobicContact CB-CB 4.24Å; L67-V72 HydrophobicContact CD2-CB 4.47Å; L67-V72 PolarHBondContact O-N 3.49Å; L67-T74 HydrophobicContact CB-CG2 4.47Å; L67-T74 HydrophobicContact CD1-CG2 3.97Å; L67-I101 HydrophobicContact CD1-CD1 4.33Å
68A83.9Confident85.9Confident57 Ų5761.6 Ų61.647%0.47130%0.3SS..Hα-helixtrans-70.9-31.8175.100000112.6K64 F65 R70 D71K64-A68 VanDerWaalsContact O-CB 3.28Å; K64-A68 WeakPolarHBondContact O-CB 3.48Å; K64-A68 PolarHBondContact O-N 3.1Å; K64-A68 VanDerWaalsContact O-N 3.08Å; F65-A68 WeakPolarHBondContact O-CB 3.37Å; F65-A68 PolarHBondContact O-N 3.18Å; A68-R70 PolarHBondContact O-N 3.42Å; A68-D71 PolarHBondContact O-N 2.92Å
69E84.9Confident85Confident127 Ų12757.2 Ų57.259%0.59329%0.285SS*.THydrogen-bonded Turntrans-67.9-15.2168-67.9-167.3136.500112.9F65F65-E69 HydrophobicContact CD1-CG 4.29Å; F65-E69 HydrophobicContact CE1-CG 3.9Å; F65-E69 VanDerWaalsContact CE1-OE1 3.28Å; F65-E69 WeakPolarHBondContact CE1-OE1 3.45Å; F65-E69 WeakPolarHBondContact CE1-OE2 3.18Å; F65-E69 HydrophobicContact CZ-CG 4.23Å; F65-E69 WeakPolarHBondContact CZ-OE1 3.4Å; F65-E69 PolarHBondContact O-N 3.24Å
70R86.1Confident84Confident42 Ų4264.5 Ų64.516%0.15832%0.318CS..THydrogen-bonded Turntrans-107.325.2176.9-65170.2174.286-3.8112.2L33 D34 A37 R41 E66 L67 A68 V72L33-R70 VanDerWaalsContact CB-CZ 3.48Å; D34-R70 IonicContact OD1-CZ 3.1Å; D34-R70 IonicContact OD1-NE 3.95Å; D34-R70 PolarHBondContact OD1-NE 2.91Å; D34-R70 IonicContact OD1-NH2 3.08Å; A37-R70 HydrophobicContact CB-CB 3.77Å; A37-R70 HydrophobicContact CB-CG 4.47Å; R41-R70 PolarHBondContact NE-O 3.05Å; R41-R70 VanDerWaalsContact NE-O 3.08Å; R41-R70 PolarHBondContact NH2-O 2.88Å; E66-R70 WeakPolarHBondContact O-CD 3.49Å; E66-R70 WeakPolarHBondContact O-CG 3.44Å; E66-R70 PolarHBondContact O-NH1 2.95Å; E66-R70 IonicContact OE2-CZ 3.26Å; E66-R70 IonicContact OE2-NH1 3.11Å; E66-R70 PolarHBondContact OE2-NH1 3.18Å; E66-R70 IonicContact OE2-NH2 3.52Å; L67-R70 CarbonylContact O-C 3.58Å; L67-R70 VanDerWaalsContact O-C 3.29Å; L67-R70 WeakPolarHBondContact O-CA 3.44Å; L67-R70 PolarHBondContact O-N 2.75Å; L67-R70 VanDerWaalsContact O-N 3.07Å; A68-R70 PolarHBondContact O-N 3.42Å; R70-V72 PolarHBondContact O-N 2.75Å; R70-V72 VanDerWaalsContact O-N 3.16Å
71D80.2Confident82.9Confident127 Ų12765.8 Ų65.868%0.67933%0.332SS*.THydrogen-bonded Turntrans56.922.4178.7-69.8-44.4000115.5L67 A68L67-D71 PolarHBondContact O-N 3.27Å; A68-D71 PolarHBondContact O-N 2.92Å
72V83Confident81.7Confident11 Ų1165.9 Ų65.97%0.06735%0.351CS..  trans-103.2105.7176.7-173.70000110.8A37 L40 R41 L67 R70 T74A37-V72 HydrophobicContact CB-CG2 3.86Å; L40-V72 HydrophobicContact CB-CG1 3.74Å; L40-V72 HydrophobicContact CD1-CG1 3.85Å; L40-V72 HydrophobicContact CG-CG1 4.42Å; R41-V72 HydrophobicContact CG-CG2 3.83Å; L67-V72 HydrophobicContact CB-CB 4.24Å; L67-V72 HydrophobicContact CD2-CB 4.47Å; L67-V72 PolarHBondContact O-N 3.49Å; R70-V72 PolarHBondContact O-N 2.75Å; R70-V72 VanDerWaalsContact O-N 3.16Å; V72-T74 HydrophobicContact CG1-CG2 3.97Å; V72-T74 PolarHBondContact O-N 3.29Å
73N82.1Confident80.8Confident120 Ų12063.4 Ų63.464%0.64235%0.347SS*.  trans-72.5117.3177-72.7-69000111.2Q98N73-Q98 HydrophobicContact CB-CG 4.35Å
74T89.4Confident80.3Confident8 Ų863.5 Ų63.55%0.04935%0.348CS..EExtended strand (participates in β ladder)trans-131.6151.9-176.955.90000112.4L52 K64 L67 V72 A99 I101L52-T74 HydrophobicContact CD1-CG2 4.19Å; K64-T74 WeakPolarHBondContact CE-O 3.27Å; L67-T74 HydrophobicContact CB-CG2 4.47Å; L67-T74 HydrophobicContact CD1-CG2 3.97Å; V72-T74 HydrophobicContact CG1-CG2 3.97Å; V72-T74 PolarHBondContact O-N 3.29Å; T74-A99 WeakPolarHBondContact CA-O 3.44Å; T74-A99 HydrophobicContact CG2-CB 4.31Å; T74-I101 HydrophobicContact CG2-CD1 4.09Å; T74-I101 VanDerWaalsContact OG1-CD1 3.32Å; T74-I101 WeakPolarHBondContact OG1-CD1 3.43Å
75I89.7Confident79.6Confident34 Ų3462 Ų6217%0.17436%0.357CS..EExtended strand (participates in β ladder)trans-109.7113.9176.9-71.7166.9000109.1V87 I96 Q98 A99 L100 I101I75-V87 HydrophobicContact CG2-CG1 3.9Å; I75-I96 HydrophobicContact CD1-CG2 3.21Å; I75-Q98 HydrophobicContact CD1-CB 4.04Å; I75-Q98 HydrophobicContact CG1-CB 4.23Å; I75-A99 PolarHBondContact N-O 2.93Å; I75-L100 HydrophobicContact CG2-CD1 4.15Å; I75-L100 CarbonylContact O-C 3.57Å; I75-L100 WeakPolarHBondContact O-CA 3.37Å; I75-I101 PolarHBondContact O-N 2.81Å
76L89.4Confident79.3Confident29 Ų2961.5 Ų61.515%0.15236%0.356CS..EExtended strand (participates in β ladder)trans-76.1132.8165.7174.865000109.5A60 E61 K64 P78 I101A60-L76 HydrophobicContact CB-CD1 3.52Å; E61-L76 HydrophobicContact CB-CD2 4.37Å; E61-L76 HydrophobicContact CG-CD2 3.44Å; E61-L76 VanDerWaalsContact CG-CD2 3.44Å; K64-L76 HydrophobicContact CD-CB 3.66Å; L76-P78 VanDerWaalsContact O-CD 3.29Å; L76-P78 WeakPolarHBondContact O-CD 3.16Å; L76-I101 CarbonylContact C-O 3.6Å; L76-I101 WeakPolarHBondContact CA-O 3.33Å; L76-I101 HydrophobicContact CD1-CB 4.32Å; L76-I101 HydrophobicContact CD1-CG2 4.03Å
77L84.1Confident78.9Confident0 Ų061.8 Ų61.80%036%0.36CS..  trans-94.998.8171.4-166.374.1000109.5V84 V87 L88 L100 I101 L102 M106L77-V84 HydrophobicContact CD1-CB 4.33Å; L77-V84 HydrophobicContact CD1-CG1 4.12Å; L77-V84 HydrophobicContact CD1-CG2 4.1Å; L77-V84 HydrophobicContact CD2-CG1 4.37Å; L77-V84 HydrophobicContact CG-CG1 4.33Å; L77-V84 HydrophobicContact CG-CG2 4.22Å; L77-V87 HydrophobicContact CD1-CB 4.27Å; L77-V87 HydrophobicContact CD1-CG1 4.12Å; L77-L88 HydrophobicContact CD1-CD2 4.33Å; L77-L88 HydrophobicContact CD1-CG 4.04Å; L77-L88 HydrophobicContact CD2-CD1 4.1Å; L77-L88 HydrophobicContact CD2-CD2 3.95Å; L77-L88 HydrophobicContact CD2-CG 4.13Å; L77-L100 HydrophobicContact CB-CD1 4.16Å; L77-L100 HydrophobicContact CD1-CD1 4.47Å; L77-I101 PolarHBondContact N-O 2.81Å; L77-L102 HydrophobicContact CB-CB 4.3Å; L77-M106 HydrophobicContact CD2-CB 4.34Å; L77-M106 HydrophobicContact CD2-CE 3.79Å; L77-M106 HydrophobicContact CG-CE 3.94Å
78P73.6Confident78.8Confident62 Ų6262.4 Ų62.440%0.40336%0.363SS..  trans-76.2138.4-17130.6-35.4000111.6L76 H80 G81 V84L76-P78 VanDerWaalsContact O-CD 3.29Å; L76-P78 WeakPolarHBondContact O-CD 3.16Å; P78-H80 PolarHBondContact O-N 2.92Å; P78-G81 PolarHBondContact O-N 3.13Å; P78-G81 VanDerWaalsContact O-N 3.08Å; P78-V84 WeakPolarHBondContact O-CG2 3.33Å
79P64.9Low78.7Confident34 Ų3464.6 Ų64.622%0.22137%0.367CS..THydrogen-bonded Turntrans-64.4-17.5-163.819.9-32.5000116.2N57 M106N57-P79 HydrophobicContact CB-CG 4.2Å; N57-P79 WeakPolarHBondContact OD1-CD 3.36Å; P79-M106 WeakPolarHBondContact CA-SD 3.26Å; P79-M106 HydrophobicContact CB-CG 4.26Å; P79-M106 HydrophobicContact CB-SD 4.08Å
80H65.1Low78.5Confident183 Ų18362.2 Ų62.285%0.84736%0.358SS*.THydrogen-bonded Turntrans-129.127.1179.1-53.4-36.9000112.5P78 A82P78-H80 PolarHBondContact O-N 2.92Å; H80-A82 PolarHBondContact O-N 2.82Å
81G64.6Low78.6Confident27 Ų2760.3 Ų60.328%0.27835%0.35SS..  trans-75.3120.9-179.900000113.2P78 M83 V84P78-G81 PolarHBondContact O-N 3.13Å; P78-G81 VanDerWaalsContact O-N 3.08Å; G81-M83 PolarHBondContact O-N 2.87Å; G81-V84 WeakPolarHBondContact O-CB 3.47Å; G81-V84 VanDerWaalsContact O-CG2 3.22Å; G81-V84 WeakPolarHBondContact O-CG2 3.48Å; G81-V84 PolarHBondContact O-N 2.83Å
82A63.2Low78.6Confident108 Ų10855.6 Ų55.689%0.89333%0.328SS*.THydrogen-bonded Turntrans-60.6-5.8174.300000114.9H80H80-A82 PolarHBondContact O-N 2.82Å
83M67.9Low78.5Confident110 Ų11062 Ų6254%0.54236%0.355SS..THydrogen-bonded Turntrans-105.8-2.3177.6-58.6-65.9-68.500113.4G81 G85 Q86 V87G81-M83 PolarHBondContact O-N 2.87Å; M83-G85 PolarHBondContact O-N 2.78Å; M83-Q86 WeakPolarHBondContact O-CA 3.31Å; M83-Q86 WeakPolarHBondContact O-CB 3.41Å; M83-Q86 PolarHBondContact O-N 2.74Å; M83-V87 HydrophobicContact CB-CG2 4.44Å; M83-V87 PolarHBondContact O-N 3.23Å
84V78.8Confident78.1Confident15 Ų1558 Ų589%0.09134%0.341CS..Hα-helixtrans-48.9-54.2-173.6158.60000112.3L77 P78 G81 Q86 V87 L88 M106 H109L77-V84 HydrophobicContact CD1-CB 4.33Å; L77-V84 HydrophobicContact CD1-CG1 4.12Å; L77-V84 HydrophobicContact CD1-CG2 4.1Å; L77-V84 HydrophobicContact CD2-CG1 4.37Å; L77-V84 HydrophobicContact CG-CG1 4.33Å; L77-V84 HydrophobicContact CG-CG2 4.22Å; P78-V84 WeakPolarHBondContact O-CG2 3.33Å; G81-V84 WeakPolarHBondContact O-CB 3.47Å; G81-V84 VanDerWaalsContact O-CG2 3.22Å; G81-V84 WeakPolarHBondContact O-CG2 3.48Å; G81-V84 PolarHBondContact O-N 2.83Å; V84-Q86 VanDerWaalsContact C-N 3.26Å; V84-Q86 PolarHBondContact O-N 2.89Å; V84-V87 PolarHBondContact O-N 3.32Å; V84-L88 HydrophobicContact CG1-CD1 3.94Å; V84-L88 WeakPolarHBondContact O-CG 3.38Å; V84-L88 PolarHBondContact O-N 3.06Å; V84-M106 HydrophobicContact CB-CE 4.31Å; V84-M106 HydrophobicContact CG1-CE 3.58Å; V84-M106 HydrophobicContact CG2-CE 3.71Å; V84-H109 HydrophobicContact CG1-CB 4.44Å
85G77.7Confident77.5Confident54 Ų5466.2 Ų66.256%0.55737%0.372SS*.Hα-helixtrans-63.7-28.1179.800000114M83 L89M83-G85 PolarHBondContact O-N 2.78Å; G85-L89 WeakPolarHBondContact O-CB 3.38Å; G85-L89 PolarHBondContact O-N 3.4Å
86Q79.8Confident77.2Confident114 Ų11466.2 Ų66.253%0.53337%0.373SS..Hα-helixtrans-77.3-38175.2-64.8-173.43.200111.8M83 V84 L89 L90M83-Q86 WeakPolarHBondContact O-CA 3.31Å; M83-Q86 WeakPolarHBondContact O-CB 3.41Å; M83-Q86 PolarHBondContact O-N 2.74Å; V84-Q86 VanDerWaalsContact C-N 3.26Å; V84-Q86 PolarHBondContact O-N 2.89Å; Q86-L89 PolarHBondContact O-N 3.05Å; Q86-L90 WeakPolarHBondContact O-CB 3.47Å; Q86-L90 VanDerWaalsContact O-CG 3.26Å; Q86-L90 WeakPolarHBondContact O-CG 3.15Å; Q86-L90 PolarHBondContact O-N 3.1Å
87V82.5Confident76.6Confident36 Ų3667.4 Ų67.422%0.21838%0.379CS..Hα-helixtrans-64.3-47.2174.3174.50000110.2I75 L77 M83 V84 L89 L90 W91I75-V87 HydrophobicContact CG2-CG1 3.9Å; L77-V87 HydrophobicContact CD1-CB 4.27Å; L77-V87 HydrophobicContact CD1-CG1 4.12Å; M83-V87 HydrophobicContact CB-CG2 4.44Å; M83-V87 PolarHBondContact O-N 3.23Å; V84-V87 PolarHBondContact O-N 3.32Å; V87-L89 PolarHBondContact O-N 3.02Å; V87-L90 PolarHBondContact O-N 3.28Å; V87-W91 VanDerWaalsContact O-CB 3.26Å; V87-W91 WeakPolarHBondContact O-CB 3.5Å; V87-W91 PolarHBondContact O-N 3.02Å
88L84.4Confident76.7Confident12 Ų1271.2 Ų71.26%0.06340%0.397CS..Hα-helixtrans-62.5-40.5175.9-72.4172.7000112.6L77 V84 W91 S92 L100 H109 L110L77-L88 HydrophobicContact CD1-CD2 4.33Å; L77-L88 HydrophobicContact CD1-CG 4.04Å; L77-L88 HydrophobicContact CD2-CD1 4.1Å; L77-L88 HydrophobicContact CD2-CD2 3.95Å; L77-L88 HydrophobicContact CD2-CG 4.13Å; V84-L88 HydrophobicContact CG1-CD1 3.94Å; V84-L88 WeakPolarHBondContact O-CG 3.38Å; V84-L88 PolarHBondContact O-N 3.06Å; L88-W91 PolarHBondContact O-N 3.12Å; L88-S92 VanDerWaalsContact O-CB 3.24Å; L88-S92 WeakPolarHBondContact O-CB 3.17Å; L88-S92 PolarHBondContact O-N 3.02Å; L88-S92 PolarHBondContact O-OG 3.01Å; L88-L100 HydrophobicContact CD2-CD2 3.78Å; L88-H109 WeakPolarHBondContact CD1-O 3.41Å; L88-L110 HydrophobicContact CD2-CD2 4.03Å
89L81.1Confident77.4Confident103 Ų10368.8 Ų68.854%0.53938%0.382SS..Hα-helixtrans-64.2-41.7175.5-178.461.5000112.2G85 Q86 V87 S92 K93G85-L89 WeakPolarHBondContact O-CB 3.38Å; G85-L89 PolarHBondContact O-N 3.4Å; Q86-L89 PolarHBondContact O-N 3.05Å; V87-L89 PolarHBondContact O-N 3.02Å; L89-S92 WeakPolarHBondContact CA-OG 3.12Å; L89-S92 PolarHBondContact O-OG 3.03Å; L89-S92 VanDerWaalsContact O-OG 3.12Å; L89-K93 HydrophobicContact CD1-CG 4.23Å; L89-K93 VanDerWaalsContact O-CB 3.3Å; L89-K93 WeakPolarHBondContact O-CB 3.06Å; L89-K93 WeakPolarHBondContact O-CG 3.42Å; L89-K93 PolarHBondContact O-N 3.02Å; L89-K93 VanDerWaalsContact O-N 3.17Å
90L81.6Confident78.7Confident78 Ų7867.1 Ų67.141%0.40837%0.371SS..Hα-helixtrans-71.1-37.2178.5-70.4170.3000112.3Q86 V87 G94 Y95 I96Q86-L90 WeakPolarHBondContact O-CB 3.47Å; Q86-L90 VanDerWaalsContact O-CG 3.26Å; Q86-L90 WeakPolarHBondContact O-CG 3.15Å; Q86-L90 PolarHBondContact O-N 3.1Å; V87-L90 PolarHBondContact O-N 3.28Å; L90-G94 PolarHBondContact O-N 3.24Å; L90-Y95 HydrophobicContact CD2-CD2 3.79Å; L90-Y95 HydrophobicContact CD2-CG 4.16Å; L90-Y95 WeakPolarHBondContact O-CB 3.48Å; L90-Y95 PolarHBondContact O-N 3.24Å; L90-I96 HydrophobicContact CB-CD1 3.54Å; L90-I96 HydrophobicContact CB-CG1 3.94Å; L90-I96 HydrophobicContact CD1-CD1 4.29Å
91W87.1Confident80Confident1 Ų158.4 Ų58.40%0.00433%0.331CS..Hα-helixtrans-69.2-50.1176.8-170.986.5000112.3K49 I51 V87 L88 K93 G94 I96 Q98 L100 V113 A115K49-W91 HydrophobicContact CB-CH2 3.75Å; K49-W91 HydrophobicContact CB-CZ2 3.8Å; K49-W91 HydrophobicContact CB-CZ3 4.47Å; K49-W91 HydrophobicContact CG-CH2 4.44Å; K49-W91 HydrophobicContact CG-CZ2 4.37Å; I51-W91 HydrophobicContact CD1-CH2 3.98Å; I51-W91 HydrophobicContact CD1-CZ3 4.29Å; I51-W91 HydrophobicContact CG1-CH2 3.52Å; I51-W91 HydrophobicContact CG1-CZ2 4.11Å; I51-W91 HydrophobicContact CG1-CZ3 4.28Å; V87-W91 VanDerWaalsContact O-CB 3.26Å; V87-W91 WeakPolarHBondContact O-CB 3.5Å; V87-W91 PolarHBondContact O-N 3.02Å; L88-W91 PolarHBondContact O-N 3.12Å; W91-K93 PolarHBondContact O-N 3.25Å; W91-G94 PolarHBondContact O-N 2.9Å; W91-I96 HydrophobicContact CB-CB 4.35Å; W91-I96 VanDerWaalsContact CD1-O 3.27Å; W91-Q98 PolarHBondContact NE1-O 3.39Å; W91-L100 HydrophobicContact CD2-CB 4.37Å; W91-L100 HydrophobicContact CD2-CD2 4.17Å; W91-L100 HydrophobicContact CE3-CD2 4.2Å; W91-L100 HydrophobicContact CZ2-CB 3.91Å; W91-L100 HydrophobicContact CZ3-CD2 4.42Å; W91-V113 HydrophobicContact CZ3-CB 4.29Å; W91-A115 HydrophobicContact CH2-CB 4.24Å
92S80.7Confident81.3Confident29 Ų2957.1 Ų57.120%0.20332%0.318CS..Hα-helixtrans-59.6-33.317657.90000112.9K49 L88 L89K49-S92 PolarHBondContact NZ-O 3.04Å; L88-S92 VanDerWaalsContact O-CB 3.24Å; L88-S92 WeakPolarHBondContact O-CB 3.17Å; L88-S92 PolarHBondContact O-N 3.02Å; L88-S92 PolarHBondContact O-OG 3.01Å; L89-S92 WeakPolarHBondContact CA-OG 3.12Å; L89-S92 PolarHBondContact O-OG 3.03Å; L89-S92 VanDerWaalsContact O-OG 3.12Å
93K80.4Confident82.6Confident146 Ų14652.3 Ų52.364%0.63528%0.277SS*.THydrogen-bonded Turntrans-82.70.9174.4-65.5-65.6179.3-171.50115.4L89 W91 Y95L89-K93 HydrophobicContact CD1-CG 4.23Å; L89-K93 VanDerWaalsContact O-CB 3.3Å; L89-K93 WeakPolarHBondContact O-CB 3.06Å; L89-K93 WeakPolarHBondContact O-CG 3.42Å; L89-K93 PolarHBondContact O-N 3.02Å; L89-K93 VanDerWaalsContact O-N 3.17Å; W91-K93 PolarHBondContact O-N 3.25Å; K93-Y95 VanDerWaalsContact C-N 3.33Å; K93-Y95 HydrophobicContact CB-CD2 3.68Å; K93-Y95 HydrophobicContact CB-CE2 3.69Å; K93-Y95 PolarHBondContact O-N 2.8Å
94G74.4Confident83.4Confident34 Ų3448.8 Ų48.835%0.35126%0.261SS..THydrogen-bonded Turntrans73.220.1176.900000114.9L90 W91 N97L90-G94 PolarHBondContact O-N 3.24Å; W91-G94 PolarHBondContact O-N 2.9Å; G94-N97 PolarHBondContact O-OD1 3.16Å
95Y77.5Confident83.6Confident181 Ų18150.5 Ų50.571%0.7128%0.282SS*.SBendtrans-81.7-8.8166.8-62.4-69000112.3L90 K93L90-Y95 HydrophobicContact CD2-CD2 3.79Å; L90-Y95 HydrophobicContact CD2-CG 4.16Å; L90-Y95 WeakPolarHBondContact O-CB 3.48Å; L90-Y95 PolarHBondContact O-N 3.24Å; K93-Y95 VanDerWaalsContact C-N 3.33Å; K93-Y95 HydrophobicContact CB-CD2 3.68Å; K93-Y95 HydrophobicContact CB-CE2 3.69Å; K93-Y95 PolarHBondContact O-N 2.8Å
96I81.8Confident83.9Confident35 Ų3548 Ų4818%0.17926%0.255CS..  trans-139.7113.2-179.3-59.2177.7000107.7I75 L90 W91I75-I96 HydrophobicContact CD1-CG2 3.21Å; L90-I96 HydrophobicContact CB-CD1 3.54Å; L90-I96 HydrophobicContact CB-CG1 3.94Å; L90-I96 HydrophobicContact CD1-CD1 4.29Å; W91-I96 HydrophobicContact CB-CB 4.35Å; W91-I96 VanDerWaalsContact CD1-O 3.27Å
97N77.9Confident84.1Confident53 Ų5342.8 Ų42.828%0.28323%0.231SC..  trans-104.42.1-174.6-55.1-19.8000113.4A45 N46 G94A45-N97 WeakPolarHBondContact O-CB 3.37Å; N46-N97 PolarHBondContact OD1-ND2 2.77Å; G94-N97 PolarHBondContact O-OD1 3.16Å
98Q86.9Confident83.9Confident80 Ų8046.8 Ų46.837%0.37425%0.247SC..SBendtrans-72.1146.3176.8-66-1809.200110.8N73 I75 W91N73-Q98 HydrophobicContact CB-CG 4.35Å; I75-Q98 HydrophobicContact CD1-CB 4.04Å; I75-Q98 HydrophobicContact CG1-CB 4.23Å; W91-Q98 PolarHBondContact NE1-O 3.39Å
99A88.6Confident83.6Confident11 Ų1150.2 Ų50.29%0.09126%0.263CS..EExtended strand (participates in β ladder)trans-64.7138.2178.400000111.5L40 T50 L52 T74 I75L40-A99 HydrophobicContact CD2-CB 3.95Å; T50-A99 HydrophobicContact CG2-CB 4.38Å; T50-A99 WeakPolarHBondContact O-CA 3.45Å; L52-A99 HydrophobicContact CD1-CB 3.67Å; T74-A99 WeakPolarHBondContact CA-O 3.44Å; T74-A99 HydrophobicContact CG2-CB 4.31Å; I75-A99 PolarHBondContact N-O 2.93Å
100L90.9Very high83.3Confident0 Ų045.7 Ų45.70%024%0.239CC..EExtended strand (participates in β ladder)trans-97.3110.4-171.7-176.670000110.5T50 I51 L52 I75 L77 L88 W91 L102 L110T50-L100 PolarHBondContact O-N 3.02Å; I51-L100 CarbonylContact C-O 3.53Å; I51-L100 WeakPolarHBondContact CA-O 3.42Å; L52-L100 PolarHBondContact N-O 2.89Å; I75-L100 HydrophobicContact CG2-CD1 4.15Å; I75-L100 CarbonylContact O-C 3.57Å; I75-L100 WeakPolarHBondContact O-CA 3.37Å; L77-L100 HydrophobicContact CB-CD1 4.16Å; L77-L100 HydrophobicContact CD1-CD1 4.47Å; L88-L100 HydrophobicContact CD2-CD2 3.78Å; W91-L100 HydrophobicContact CD2-CB 4.37Å; W91-L100 HydrophobicContact CD2-CD2 4.17Å; W91-L100 HydrophobicContact CE3-CD2 4.2Å; W91-L100 HydrophobicContact CZ2-CB 3.91Å; W91-L100 HydrophobicContact CZ3-CD2 4.42Å; L100-L102 HydrophobicContact CD2-CD2 4.32Å; L100-L110 HydrophobicContact CD2-CD2 4.26Å
101I92.3Very high82.9Confident0 Ų043.9 Ų43.90%024%0.24CC..EExtended strand (participates in β ladder)trans-89.2132.2173.9-56.5168.2000109.7L52 A60 L63 K64 L67 T74 I75 L76 L77L52-I101 HydrophobicContact CB-CB 4.28Å; L52-I101 HydrophobicContact CB-CG1 3.77Å; L52-I101 HydrophobicContact CD1-CD1 4.35Å; L52-I101 HydrophobicContact CD1-CG1 3.57Å; L52-I101 HydrophobicContact CG-CG1 4.29Å; L52-I101 WeakPolarHBondContact O-CA 3.39Å; A60-I101 HydrophobicContact CB-CG2 3.78Å; L63-I101 HydrophobicContact CD2-CD1 4.34Å; L63-I101 HydrophobicContact CD2-CG1 4.4Å; L63-I101 HydrophobicContact CD2-CG2 4.14Å; L63-I101 HydrophobicContact CG-CD1 4.28Å; K64-I101 HydrophobicContact CB-CD1 3.77Å; K64-I101 HydrophobicContact CG-CD1 4.48Å; L67-I101 HydrophobicContact CD1-CD1 4.33Å; T74-I101 HydrophobicContact CG2-CD1 4.09Å; T74-I101 VanDerWaalsContact OG1-CD1 3.32Å; T74-I101 WeakPolarHBondContact OG1-CD1 3.43Å; I75-I101 PolarHBondContact O-N 2.81Å; L76-I101 CarbonylContact C-O 3.6Å; L76-I101 WeakPolarHBondContact CA-O 3.33Å; L76-I101 HydrophobicContact CD1-CB 4.32Å; L76-I101 HydrophobicContact CD1-CG2 4.03Å; L77-I101 PolarHBondContact N-O 2.81Å
102L91.4Very high82.1Confident0 Ų049.7 Ų49.70%028%0.275CS..EExtended strand (participates in β ladder)trans-147162.617563.389000111.9I51 L52 I53 C54 L77 L100 M106 L107 L110I51-L102 HydrophobicContact CG2-CD2 3.71Å; I51-L102 HydrophobicContact CG2-CG 4.18Å; L52-L102 PolarHBondContact O-N 2.88Å; I53-L102 WeakPolarHBondContact CA-O 3.43Å; I53-L102 HydrophobicContact CG1-CD1 4.09Å; I53-L102 HydrophobicContact CG1-CG 4.5Å; I53-L102 HydrophobicContact CG2-CD1 4.15Å; C54-L102 PolarHBondContact N-O 2.86Å; L77-L102 HydrophobicContact CB-CB 4.3Å; L100-L102 HydrophobicContact CD2-CD2 4.32Å; L102-M106 HydrophobicContact CB-CB 4.19Å; L102-L107 HydrophobicContact CD1-CD2 3.75Å; L102-L107 HydrophobicContact CD1-CG 4.31Å; L102-L110 HydrophobicContact CD2-CD1 4Å; L102-L110 HydrophobicContact CD2-CD2 3.69Å; L102-L110 HydrophobicContact CD2-CG 4.07Å
103C90.6Very high81.8Confident7 Ų748.6 Ų48.65%0.04727%0.267CS..EExtended strand (participates in β ladder)trans-104.6165.5171.559.60000111.6C54 G105 M106C54-C103 CarbonylContact O-C 3.52Å; C54-C103 VanDerWaalsContact O-CA 3.29Å; C54-C103 WeakPolarHBondContact O-CA 3.39Å; C103-G105 PolarHBondContact O-N 3.09Å; C103-G105 VanDerWaalsContact O-N 3.11Å; C103-M106 WeakPolarHBondContact O-CB 3.4Å; C103-M106 PolarHBondContact O-N 3.01Å
104D85.5Confident81.5Confident36 Ų3649 Ų4919%0.19327%0.271CS..G310 helixtrans-51.7-38.8-177.5-76.2-39.7000114C54 Q55 M106 L107 R132C54-D104 PolarHBondContact O-N 2.84Å; Q55-D104 WeakPolarHBondContact CA-OD2 3.48Å; Q55-D104 PolarHBondContact O-N 2.98Å; D104-M106 PolarHBondContact O-N 2.85Å; D104-L107 HydrophobicContact CB-CD1 4.25Å; D104-L107 WeakPolarHBondContact O-CB 3.19Å; D104-L107 VanDerWaalsContact O-CG 3.31Å; D104-L107 WeakPolarHBondContact O-CG 3.23Å; D104-L107 PolarHBondContact O-N 2.84Å; D104-L107 WeakPolarHBondContact OD1-CD1 3.26Å; D104-R132 IonicContact OD1-CZ 3.83Å; D104-R132 IonicContact OD1-NE 3.26Å; D104-R132 PolarHBondContact OD1-NE 3.42Å; D104-R132 IonicContact OD1-NH2 2.89Å; D104-R132 PolarHBondContact OD1-NH2 3.13Å; D104-R132 IonicContact OD2-CZ 3.96Å; D104-R132 IonicContact OD2-NE 3.43Å; D104-R132 IonicContact OD2-NH2 3.34Å; D104-R132 PolarHBondContact OD2-NH2 3.21Å
105G82.1Confident81.9Confident51 Ų5147.7 Ų47.753%0.52626%0.257SS..G310 helixtrans-63.81.7175.300000115.9C103C103-G105 PolarHBondContact O-N 3.09Å; C103-G105 VanDerWaalsContact O-N 3.11Å
106M85.7Confident82.2Confident1 Ų142.7 Ų42.71%0.00524%0.242CC..G310 helixtrans-115.43.3174.9-67.1-56.2-78.600114L77 P79 V84 L102 C103 D104 H109L77-M106 HydrophobicContact CD2-CB 4.34Å; L77-M106 HydrophobicContact CD2-CE 3.79Å; L77-M106 HydrophobicContact CG-CE 3.94Å; P79-M106 WeakPolarHBondContact CA-SD 3.26Å; P79-M106 HydrophobicContact CB-CG 4.26Å; P79-M106 HydrophobicContact CB-SD 4.08Å; V84-M106 HydrophobicContact CB-CE 4.31Å; V84-M106 HydrophobicContact CG1-CE 3.58Å; V84-M106 HydrophobicContact CG2-CE 3.71Å; L102-M106 HydrophobicContact CB-CB 4.19Å; C103-M106 WeakPolarHBondContact O-CB 3.4Å; C103-M106 PolarHBondContact O-N 3.01Å; D104-M106 PolarHBondContact O-N 2.85Å; M106-H109 HydrophobicContact CE-CB 3.88Å; M106-H109 WeakPolarHBondContact O-CB 3.43Å; M106-H109 PolarHBondContact O-N 2.92Å; M106-H109 VanDerWaalsContact O-N 3.17Å; M106-H109 HydrophobicContact SD-CB 4.35Å
107L83.5Confident82.4Confident5 Ų541 Ų413%0.02623%0.234CC..SBendtrans-66.4-39.7178.3-65.5169.1000112.2I53 L102 D104 H109 L110 R132 W135 L136I53-L107 HydrophobicContact CD1-CD2 4.11Å; L102-L107 HydrophobicContact CD1-CD2 3.75Å; L102-L107 HydrophobicContact CD1-CG 4.31Å; D104-L107 HydrophobicContact CB-CD1 4.25Å; D104-L107 WeakPolarHBondContact O-CB 3.19Å; D104-L107 VanDerWaalsContact O-CG 3.31Å; D104-L107 WeakPolarHBondContact O-CG 3.23Å; D104-L107 PolarHBondContact O-N 2.84Å; D104-L107 WeakPolarHBondContact OD1-CD1 3.26Å; L107-H109 PolarHBondContact O-N 3.49Å; L107-L110 HydrophobicContact CD2-CD1 3.97Å; L107-L110 PolarHBondContact O-N 3.38Å; L107-R132 HydrophobicContact CD1-CB 3.94Å; L107-R132 HydrophobicContact CD1-CG 3.76Å; L107-W135 HydrophobicContact CB-CB 3.95Å; L107-W135 HydrophobicContact CB-CG 4.03Å; L107-L136 HydrophobicContact CD2-CD2 4.47Å
108E78.6Confident82.9Confident119 Ų11938.5 Ų38.556%0.55622%0.221SC*.THydrogen-bonded Turntrans-60.3-26.7173.368.6-179.9-174.200112.9W135E108-W135 HydrophobicContact CB-CH2 3.88Å; E108-W135 HydrophobicContact CB-CZ2 3.93Å; E108-W135 HydrophobicContact CB-CZ3 4.27Å
109H76.7Confident83.1Confident85 Ų8534.7 Ų34.739%0.39420%0.203SC..THydrogen-bonded Turntrans-84.4-13.9-176.4-75.486.8000113.4V84 L88 M106 L107 G111V84-H109 HydrophobicContact CG1-CB 4.44Å; L88-H109 WeakPolarHBondContact CD1-O 3.41Å; M106-H109 HydrophobicContact CE-CB 3.88Å; M106-H109 WeakPolarHBondContact O-CB 3.43Å; M106-H109 PolarHBondContact O-N 2.92Å; M106-H109 VanDerWaalsContact O-N 3.17Å; M106-H109 HydrophobicContact SD-CB 4.35Å; L107-H109 PolarHBondContact O-N 3.49Å; H109-G111 VanDerWaalsContact C-N 3.35Å; H109-G111 PolarHBondContact O-N 2.9Å
110L76.4Confident83.3Confident7 Ų734.2 Ų34.24%0.03720%0.198CC..  trans-63.2-36.9-176.5-80.2166000113.1I51 L88 L100 L102 L107 V113I51-L110 HydrophobicContact CD1-CD2 4.26Å; L88-L110 HydrophobicContact CD2-CD2 4.03Å; L100-L110 HydrophobicContact CD2-CD2 4.26Å; L102-L110 HydrophobicContact CD2-CD1 4Å; L102-L110 HydrophobicContact CD2-CD2 3.69Å; L102-L110 HydrophobicContact CD2-CG 4.07Å; L107-L110 HydrophobicContact CD2-CD1 3.97Å; L107-L110 PolarHBondContact O-N 3.38Å; L110-V113 HydrophobicContact CB-CG2 4.39Å; L110-V113 HydrophobicContact CD2-CG2 4.13Å; L110-V113 WeakPolarHBondContact O-CG1 3.36Å
111G72.2Confident83.1Confident41 Ų4135.3 Ų35.342%0.42321%0.206SC..  trans64-146.6-169.100000111.6H109 S139H109-G111 VanDerWaalsContact C-N 3.35Å; H109-G111 PolarHBondContact O-N 2.9Å; G111-S139 WeakPolarHBondContact O-CA 3.48Å; G111-S139 WeakPolarHBondContact O-CB 3.27Å; G111-S139 PolarHBondContact O-OG 3.4Å; G111-S139 VanDerWaalsContact O-OG 3.12Å
112V70Confident82.6Confident123 Ų12337.3 Ų37.375%0.74522%0.218SC*.SBendtrans-97.6116.8174.5-177.90000109.3
113V75Confident82.1Confident6 Ų640.4 Ų40.44%0.03623%0.234CC..  trans-138.2123.2-176.7-69.20000111.9I51 W91 L110 A115 S139I51-V113 HydrophobicContact CD1-CG2 4.33Å; W91-V113 HydrophobicContact CZ3-CB 4.29Å; L110-V113 HydrophobicContact CB-CG2 4.39Å; L110-V113 HydrophobicContact CD2-CG2 4.13Å; L110-V113 WeakPolarHBondContact O-CG1 3.36Å; V113-A115 PolarHBondContact O-N 3.28Å; V113-A115 VanDerWaalsContact O-N 3.12Å; V113-S139 CarbonylContact C-O 3.58Å; V113-S139 PolarHBondContact N-O 2.97Å
114E74.3Confident81.5Confident154 Ų15440.7 Ų40.772%0.7224%0.236SC*.  trans-66.8112.8170.9-65.7170.5160.500109.4K49K49-E114 WeakPolarHBondContact CD-O 3.46Å; K49-E114 IonicContact NZ-OE2 2.67Å
115A82Confident81.1Confident6 Ų645.1 Ų45.15%0.0526%0.255CS..  trans-123138.4171.400000108.7I51 W91 V113 A140 A143I51-A115 HydrophobicContact CD1-CB 3.77Å; I51-A115 HydrophobicContact CG1-CB 3.99Å; W91-A115 HydrophobicContact CH2-CB 4.24Å; V113-A115 PolarHBondContact O-N 3.28Å; V113-A115 VanDerWaalsContact O-N 3.12Å; A115-A140 HydrophobicContact CB-CB 4.23Å; A115-A143 VanDerWaalsContact O-CB 3.3Å; A115-A143 WeakPolarHBondContact O-CB 3.43Å
116N83.8Confident80.8Confident76 Ų7648 Ų4841%0.40626%0.258SS..SBendtrans-88.5-31.5-179.4-57.591.5000111.5E48 K49 E144E48-N116 HydrophobicContact CB-CB 4.22Å; E48-N116 HydrophobicContact CG-CB 4.37Å; K49-N116 PolarHBondContact N-OD1 3.49Å; K49-N116 PolarHBondContact O-N 2.9Å; N116-E144 PolarHBondContact O-N 3.43Å
117L86.1Confident80.2Confident1 Ų153.8 Ų53.81%0.00529%0.289CS..EExtended strand (participates in β ladder)trans-139.3135.2-179-179.969.4000110T39 K49 T50 I51 I119 E144 L146T39-L117 HydrophobicContact CG2-CD2 4.46Å; K49-L117 PolarHBondContact O-N 2.87Å; T50-L117 WeakPolarHBondContact CA-O 3.5Å; T50-L117 HydrophobicContact CG2-CB 4.17Å; T50-L117 HydrophobicContact CG2-CD2 3.86Å; T50-L117 HydrophobicContact CG2-CG 4.12Å; I51-L117 PolarHBondContact N-O 3.48Å; L117-I119 HydrophobicContact CD1-CG1 4.45Å; L117-I119 HydrophobicContact CD2-CD1 3.72Å; L117-I119 HydrophobicContact CD2-CG1 3.76Å; L117-I119 HydrophobicContact CG-CD1 4.35Å; L117-I119 HydrophobicContact CG-CG1 3.82Å; L117-E144 WeakPolarHBondContact CA-O 3.12Å; L117-E144 HydrophobicContact CD1-CB 4.02Å; L117-E144 HydrophobicContact CD1-CG 4.17Å; L117-L146 HydrophobicContact CD1-CB 4.12Å
118V89.3Confident79.8Confident0 Ų057.9 Ų57.90%031%0.307CS..EExtended strand (participates in β ladder)trans-119.1125.1168.1178.10000108.2I51 I53 L136 A140 A143 E144 M145 L146I51-V118 HydrophobicContact CB-CG2 4.36Å; I53-V118 HydrophobicContact CD1-CG1 3.42Å; I53-V118 VanDerWaalsContact CD1-CG1 3.42Å; I53-V118 HydrophobicContact CG1-CG1 4.09Å; V118-L136 HydrophobicContact CG1-CD1 4.1Å; V118-L136 HydrophobicContact CG1-CD2 4.36Å; V118-L136 HydrophobicContact CG2-CD2 4.39Å; V118-A140 HydrophobicContact CG2-CB 4.31Å; V118-A143 HydrophobicContact CG2-CB 3.9Å; V118-E144 PolarHBondContact N-O 3.32Å; V118-M145 HydrophobicContact CB-CE 4.47Å; V118-M145 HydrophobicContact CB-SD 3.7Å; V118-M145 HydrophobicContact CG1-SD 4.1Å; V118-M145 HydrophobicContact CG2-CE 4.39Å; V118-M145 HydrophobicContact CG2-SD 4.25Å; V118-L146 PolarHBondContact O-N 2.9Å
119I91Very high80Confident0 Ų053.2 Ų53.20%028%0.284CS..EExtended strand (participates in β ladder)trans-112.2115.8179.8-47.3-179.3000109.3L36 L40 T50 I51 L52 I53 L117 T121 L146 I148L36-I119 HydrophobicContact CD1-CD1 3.58Å; L36-I119 HydrophobicContact CD1-CG2 3.87Å; L40-I119 HydrophobicContact CD2-CD1 4.13Å; T50-I119 HydrophobicContact CG2-CD1 3.88Å; T50-I119 HydrophobicContact CG2-CG1 4.06Å; I51-I119 PolarHBondContact O-N 3.35Å; L52-I119 WeakPolarHBondContact CA-O 3.38Å; L52-I119 HydrophobicContact CD2-CB 4.04Å; L52-I119 HydrophobicContact CD2-CD1 4.03Å; L52-I119 HydrophobicContact CD2-CG1 4.47Å; L52-I119 HydrophobicContact CD2-CG2 4.41Å; I53-I119 PolarHBondContact N-O 3.43Å; L117-I119 HydrophobicContact CD1-CG1 4.45Å; L117-I119 HydrophobicContact CD2-CD1 3.72Å; L117-I119 HydrophobicContact CD2-CG1 3.76Å; L117-I119 HydrophobicContact CG-CD1 4.35Å; L117-I119 HydrophobicContact CG-CG1 3.82Å; I119-T121 HydrophobicContact CG2-CG2 4.12Å; I119-T121 PolarHBondContact O-N 3.4Å; I119-L146 CarbonylContact C-O 3.56Å; I119-L146 WeakPolarHBondContact CA-O 3.45Å; I119-L146 HydrophobicContact CD1-CD2 4.17Å; I119-L146 HydrophobicContact CG1-CB 4.26Å; I119-L146 HydrophobicContact CG1-CD2 4.15Å; I119-L146 HydrophobicContact CG2-CB 4.34Å; I119-L146 HydrophobicContact CG2-CD2 4.06Å; I119-L146 HydrophobicContact CG2-CG 4.16Å; I119-I148 HydrophobicContact CG2-CD1 4.19Å; I119-I148 HydrophobicContact CG2-CG1 4.39Å
120H91.1Very high80.1Confident0 Ų054.5 Ų54.50%029%0.291CS..EExtended strand (participates in β ladder)trans-84.1108.5169.1-56.2-68.9000108.9R132 L146 V147 I148H120-R132 WeakPolarHBondContact ND1-CD 3.35Å; H120-R132 PolarHBondContact ND1-NH1 3.03Å; H120-L146 PolarHBondContact N-O 2.88Å; H120-V147 HydrophobicContact CB-CG2 4.36Å; H120-I148 PolarHBondContact O-N 3.32Å
121T86.6Confident80.3Confident24 Ų2460 Ų6015%0.14732%0.316CS..SBendtrans-91.4-19.5-179.361.70000112.9L36 L52 I53 C54 L63 I119L36-T121 HydrophobicContact CD2-CG2 3.82Å; L52-T121 HydrophobicContact CD2-CG2 3.95Å; I53-T121 PolarHBondContact O-N 2.88Å; I53-T121 PolarHBondContact O-OG1 2.95Å; C54-T121 PolarHBondContact SG-OG1 3.07Å; L63-T121 HydrophobicContact CD2-CG2 3.82Å; I119-T121 HydrophobicContact CG2-CG2 4.12Å; I119-T121 PolarHBondContact O-N 3.4Å
122T83.4Confident81Confident42 Ų4258.1 Ų58.126%0.25830%0.296SS..SBendtrans-136139.6166.649.40000109.5C54 Q55 E59 R132C54-T122 WeakPolarHBondContact CA-OG1 3.33Å; Q55-T122 PolarHBondContact N-OG1 2.86Å; E59-T122 WeakPolarHBondContact OE2-CG2 3.44Å; E59-T122 PolarHBondContact OE2-OG1 3.11Å; T122-R132 PolarHBondContact O-NH1 2.94Å
123L80.1Confident81.6Confident64 Ų6454.5 Ų54.534%0.33527%0.273SS..PPolyproline II helixtrans-98.7121.8178.4-79.5172.7000110F129 V147 T149L123-F129 HydrophobicContact CD2-CD2 3.95Å; L123-F129 HydrophobicContact CD2-CE2 3.7Å; L123-F129 HydrophobicContact CD2-CZ 4.15Å; L123-V147 HydrophobicContact CD1-CG1 3.69Å; L123-V147 HydrophobicContact CD2-CG1 3.73Å; L123-V147 HydrophobicContact CG-CG1 3.84Å; L123-T149 HydrophobicContact CD1-CG2 4.11Å
124P78.5Confident81.9Confident14 Ų1461.3 Ų61.39%0.09130%0.302CS..PPolyproline II helixtrans-82.7172.1170.137.2-35.7000110.7Q55 K128 F129Q55-P124 HydrophobicContact CG-CB 4.26Å; P124-K128 HydrophobicContact CB-CB 3.89Å; P124-K128 HydrophobicContact CG-CB 4.12Å; P124-F129 HydrophobicContact CG-CB 4.09Å; P124-F129 HydrophobicContact CG-CD2 4.44Å
125E77.6Confident82.2Confident128 Ų12859.1 Ų59.160%0.59829%0.287SS*.PPolyproline II helixtrans-51.6147.7171.1-60.1160.6137.700111.8N127 K128 F129E125-N127 VanDerWaalsContact C-N 3.32Å; E125-N127 PolarHBondContact O-N 2.98Å; E125-N127 VanDerWaalsContact O-N 3.1Å; E125-K128 WeakPolarHBondContact O-CA 3.42Å; E125-K128 WeakPolarHBondContact O-CB 3.36Å; E125-K128 PolarHBondContact O-N 3.43Å; E125-K128 IonicContact OE2-NZ 2.74Å; E125-K128 PolarHBondContact OE2-NZ 3.39Å; E125-F129 PolarHBondContact O-N 3.08Å
126L74.5Confident82.2Confident113 Ų11359 Ų5959%0.59229%0.285SS*.Hα-helixtrans-46.3-49.4-170.3-176.264.4000113.7K128 F129 E130L126-K128 VanDerWaalsContact C-N 3.31Å; L126-K128 PolarHBondContact O-N 3.06Å; L126-F129 CarbonylContact O-C 3.44Å; L126-F129 WeakPolarHBondContact O-CA 3.41Å; L126-F129 WeakPolarHBondContact O-CB 3.49Å; L126-F129 PolarHBondContact O-N 3.15Å; L126-E130 PolarHBondContact O-N 3.49Å
127N73.4Confident81.7Confident121 Ų12159 Ų5965%0.64729%0.291SS*.Hα-helixtrans-58.4-41.3-179.2-55.94.3000112.4E125 E130 E131E125-N127 VanDerWaalsContact C-N 3.32Å; E125-N127 PolarHBondContact O-N 2.98Å; E125-N127 VanDerWaalsContact O-N 3.1Å; N127-E130 PolarHBondContact O-N 3.46Å; N127-E131 WeakPolarHBondContact O-CG 3.27Å; N127-E131 PolarHBondContact O-N 3.28Å
128K75.8Confident81Confident92 Ų9262.9 Ų62.940%0.431%0.311SS..Hα-helixtrans-74.7-29.3176.9-70.9168.7-176.2152.10111.7P124 E125 L126 R132P124-K128 HydrophobicContact CB-CB 3.89Å; P124-K128 HydrophobicContact CG-CB 4.12Å; E125-K128 WeakPolarHBondContact O-CA 3.42Å; E125-K128 WeakPolarHBondContact O-CB 3.36Å; E125-K128 PolarHBondContact O-N 3.43Å; E125-K128 IonicContact OE2-NZ 2.74Å; E125-K128 PolarHBondContact OE2-NZ 3.39Å; L126-K128 VanDerWaalsContact C-N 3.31Å; L126-K128 PolarHBondContact O-N 3.06Å; K128-R132 WeakPolarHBondContact O-CB 3.45Å; K128-R132 PolarHBondContact O-N 3.21Å
129F82.6Confident79.9Confident20 Ų2063 Ų639%0.08831%0.312CS..Hα-helixtrans-68.5-39.5171.8-170.3-115.4000111.1F21 L123 P124 E125 L126 R132 L133F21-F129 HydrophobicContact CE1-CZ 4.35Å; L123-F129 HydrophobicContact CD2-CD2 3.95Å; L123-F129 HydrophobicContact CD2-CE2 3.7Å; L123-F129 HydrophobicContact CD2-CZ 4.15Å; P124-F129 HydrophobicContact CG-CB 4.09Å; P124-F129 HydrophobicContact CG-CD2 4.44Å; E125-F129 PolarHBondContact O-N 3.08Å; L126-F129 CarbonylContact O-C 3.44Å; L126-F129 WeakPolarHBondContact O-CA 3.41Å; L126-F129 WeakPolarHBondContact O-CB 3.49Å; L126-F129 PolarHBondContact O-N 3.15Å; F129-R132 WeakPolarHBondContact O-CB 3.32Å; F129-R132 PolarHBondContact O-N 3.28Å; F129-L133 HydrophobicContact CD1-CD1 4.06Å; F129-L133 HydrophobicContact CD1-CG 4.42Å; F129-L133 HydrophobicContact CE1-CD1 3.71Å; F129-L133 HydrophobicContact CE1-CG 4.18Å; F129-L133 HydrophobicContact CZ-CD1 4.21Å; F129-L133 HydrophobicContact CZ-CD2 4.19Å; F129-L133 HydrophobicContact CZ-CG 4.28Å; F129-L133 WeakPolarHBondContact O-CG 3.5Å; F129-L133 PolarHBondContact O-N 3.33Å
130E79.3Confident78.8Confident113 Ų11363.2 Ų63.253%0.52831%0.314SS..Hα-helixtrans-64-41.8172.5-70.6179.7-177.300112.2L126 N127 L133 K134L126-E130 PolarHBondContact O-N 3.49Å; N127-E130 PolarHBondContact O-N 3.46Å; E130-L133 PolarHBondContact O-N 3.44Å; E130-K134 WeakPolarHBondContact O-CB 3.1Å; E130-K134 PolarHBondContact O-N 3.31Å
131E79.1Confident77.5Confident121 Ų12172.3 Ų72.357%0.56535%0.348SS*.Hα-helixtrans-59.4-44.7170.5-73179.3153.700112.1N127 L133 K134 W135N127-E131 WeakPolarHBondContact O-CG 3.27Å; N127-E131 PolarHBondContact O-N 3.28Å; E131-L133 PolarHBondContact O-N 2.9Å; E131-K134 WeakPolarHBondContact O-CB 3.36Å; E131-K134 PolarHBondContact O-N 3.34Å; E131-W135 VanDerWaalsContact O-CD1 3.24Å; E131-W135 PolarHBondContact O-N 3.15Å; E131-W135 VanDerWaalsContact O-N 3.1Å
132R87.4Confident76.6Confident2 Ų279.4 Ų79.41%0.00839%0.385CS..Hα-helixtrans-59-45.5175.3175.8-170.6-69.3-173.5-5.9111.5D104 L107 H120 T122 K128 F129 W135 L136D104-R132 IonicContact OD1-CZ 3.83Å; D104-R132 IonicContact OD1-NE 3.26Å; D104-R132 PolarHBondContact OD1-NE 3.42Å; D104-R132 IonicContact OD1-NH2 2.89Å; D104-R132 PolarHBondContact OD1-NH2 3.13Å; D104-R132 IonicContact OD2-CZ 3.96Å; D104-R132 IonicContact OD2-NE 3.43Å; D104-R132 IonicContact OD2-NH2 3.34Å; D104-R132 PolarHBondContact OD2-NH2 3.21Å; L107-R132 HydrophobicContact CD1-CB 3.94Å; L107-R132 HydrophobicContact CD1-CG 3.76Å; H120-R132 WeakPolarHBondContact ND1-CD 3.35Å; H120-R132 PolarHBondContact ND1-NH1 3.03Å; T122-R132 PolarHBondContact O-NH1 2.94Å; K128-R132 WeakPolarHBondContact O-CB 3.45Å; K128-R132 PolarHBondContact O-N 3.21Å; F129-R132 WeakPolarHBondContact O-CB 3.32Å; F129-R132 PolarHBondContact O-N 3.28Å; R132-W135 PolarHBondContact O-N 2.81Å; R132-L136 HydrophobicContact CG-CD1 4Å; R132-L136 WeakPolarHBondContact O-CG 3.17Å; R132-L136 PolarHBondContact O-N 3.38Å
133L83.4Confident76.3Confident48 Ų4877.7 Ų77.725%0.25138%0.375SS..Hα-helixtrans-66.3-37.1177.3-69.1-176.8000112.5F21 F129 E130 E131 L136 S137F21-L133 HydrophobicContact CE1-CD1 4.41Å; F21-L133 HydrophobicContact CE1-CD2 3.71Å; F21-L133 HydrophobicContact CZ-CD1 3.94Å; F21-L133 HydrophobicContact CZ-CD2 3.68Å; F21-L133 HydrophobicContact CZ-CG 4.49Å; F129-L133 HydrophobicContact CD1-CD1 4.06Å; F129-L133 HydrophobicContact CD1-CG 4.42Å; F129-L133 HydrophobicContact CE1-CD1 3.71Å; F129-L133 HydrophobicContact CE1-CG 4.18Å; F129-L133 HydrophobicContact CZ-CD1 4.21Å; F129-L133 HydrophobicContact CZ-CD2 4.19Å; F129-L133 HydrophobicContact CZ-CG 4.28Å; F129-L133 WeakPolarHBondContact O-CG 3.5Å; F129-L133 PolarHBondContact O-N 3.33Å; E130-L133 PolarHBondContact O-N 3.44Å; E131-L133 PolarHBondContact O-N 2.9Å; L133-L136 PolarHBondContact O-N 3.29Å; L133-S137 PolarHBondContact O-N 3.02Å
134K80.4Confident76.5Confident149 Ų14977.7 Ų77.765%0.64837%0.373SS*.Hα-helixtrans-58.6-48.7174.1-174.3178.3178.5-178.70111.3E130 E131 L136 S137 I138E130-K134 WeakPolarHBondContact O-CB 3.1Å; E130-K134 PolarHBondContact O-N 3.31Å; E131-K134 WeakPolarHBondContact O-CB 3.36Å; E131-K134 PolarHBondContact O-N 3.34Å; K134-L136 PolarHBondContact O-N 2.99Å; K134-S137 PolarHBondContact O-N 3.4Å; K134-S137 PolarHBondContact O-OG 2.95Å; K134-I138 PolarHBondContact O-N 3.34Å
135W81Confident76.8Confident108 Ų10877.5 Ų77.541%0.40937%0.371SS..Hα-helixtrans-61.1-42.4173.8-75.6112.2000112.7L107 E108 E131 R132 S137 I138 S139L107-W135 HydrophobicContact CB-CB 3.95Å; L107-W135 HydrophobicContact CB-CG 4.03Å; E108-W135 HydrophobicContact CB-CH2 3.88Å; E108-W135 HydrophobicContact CB-CZ2 3.93Å; E108-W135 HydrophobicContact CB-CZ3 4.27Å; E131-W135 VanDerWaalsContact O-CD1 3.24Å; E131-W135 PolarHBondContact O-N 3.15Å; E131-W135 VanDerWaalsContact O-N 3.1Å; R132-W135 PolarHBondContact O-N 2.81Å; W135-S137 PolarHBondContact O-N 3.37Å; W135-I138 PolarHBondContact O-N 3.44Å; W135-S139 VanDerWaalsContact O-CB 3.31Å; W135-S139 WeakPolarHBondContact O-CB 3.2Å; W135-S139 PolarHBondContact O-N 2.86Å; W135-S139 PolarHBondContact O-OG 3.2Å
136L81Confident77.3Confident2 Ų272 Ų721%0.0135%0.346CS..Hα-helixtrans-68.2-31.6179.1-69.2167.5000113.3I53 L107 V118 R132 L133 K134 I138 S139 A140 M145I53-L136 HydrophobicContact CD1-CD1 3.74Å; I53-L136 HydrophobicContact CD1-CD2 3.93Å; I53-L136 HydrophobicContact CD1-CG 4.35Å; L107-L136 HydrophobicContact CD2-CD2 4.47Å; V118-L136 HydrophobicContact CG1-CD1 4.1Å; V118-L136 HydrophobicContact CG1-CD2 4.36Å; V118-L136 HydrophobicContact CG2-CD2 4.39Å; R132-L136 HydrophobicContact CG-CD1 4Å; R132-L136 WeakPolarHBondContact O-CG 3.17Å; R132-L136 PolarHBondContact O-N 3.38Å; L133-L136 PolarHBondContact O-N 3.29Å; K134-L136 PolarHBondContact O-N 2.99Å; L136-I138 PolarHBondContact O-N 3.31Å; L136-S139 PolarHBondContact O-N 3.22Å; L136-A140 HydrophobicContact CD2-CB 4.25Å; L136-A140 CarbonylContact O-C 3.54Å; L136-A140 WeakPolarHBondContact O-CA 3.41Å; L136-A140 PolarHBondContact O-N 3.16Å; L136-M145 HydrophobicContact CB-CE 4.49Å
137S74.3Confident78Confident77 Ų7766.6 Ų66.654%0.53832%0.318SS..Hα-helixtrans-63.7-29.3173.877.70000113.3L133 K134 W135L133-S137 PolarHBondContact O-N 3.02Å; K134-S137 PolarHBondContact O-N 3.4Å; K134-S137 PolarHBondContact O-OG 2.95Å; W135-S137 PolarHBondContact O-N 3.37Å
138I70.6Confident78.6Confident83 Ų8361.2 Ų61.243%0.42629%0.289SS..Hα-helixtrans-80.5-45.5173.7-60.9167.6000109.5K134 W135 L136K134-I138 PolarHBondContact O-N 3.34Å; W135-I138 PolarHBondContact O-N 3.44Å; L136-I138 PolarHBondContact O-N 3.31Å
139S67.8Low78.7Confident3 Ų358.4 Ų58.42%0.02128%0.279CS..Hα-helixtrans-85.6-43.7-165.1-50.90000114.2G111 V113 W135 L136G111-S139 WeakPolarHBondContact O-CA 3.48Å; G111-S139 WeakPolarHBondContact O-CB 3.27Å; G111-S139 PolarHBondContact O-OG 3.4Å; G111-S139 VanDerWaalsContact O-OG 3.12Å; V113-S139 CarbonylContact C-O 3.58Å; V113-S139 PolarHBondContact N-O 2.97Å; W135-S139 VanDerWaalsContact O-CB 3.31Å; W135-S139 WeakPolarHBondContact O-CB 3.2Å; W135-S139 PolarHBondContact O-N 2.86Å; W135-S139 PolarHBondContact O-OG 3.2Å; L136-S139 PolarHBondContact O-N 3.22Å
140A66.6Low77.6Confident3 Ų361.4 Ų61.43%0.02530%0.301CS..SBendtrans-129.762.7-164.900000111.7A115 V118 L136A115-A140 HydrophobicContact CB-CB 4.23Å; V118-A140 HydrophobicContact CG2-CB 4.31Å; L136-A140 HydrophobicContact CD2-CB 4.25Å; L136-A140 CarbonylContact O-C 3.54Å; L136-A140 WeakPolarHBondContact O-CA 3.41Å; L136-A140 PolarHBondContact O-N 3.16Å
141R64.3Low76.4Confident192 Ų19259.3 Ų59.373%0.72530%0.298SS*.THydrogen-bonded Turntrans-60.9136.8-178.4-66.9-176.3177.3-171.4-0.5111.8A143R141-A143 PolarHBondContact O-N 2.97Å
142N66.8Low74.8Confident172 Ų17258.7 Ų58.792%0.9230%0.299SS*.THydrogen-bonded Turntrans6315.5175.9-52.4-13.8000116.1
143A78.1Confident72.6Confident7 Ų765.2 Ų65.26%0.05833%0.329CS..PPolyproline II helixtrans-66.1144.217200000111.9A115 V118 R141 M145A115-A143 VanDerWaalsContact O-CB 3.3Å; A115-A143 WeakPolarHBondContact O-CB 3.43Å; V118-A143 HydrophobicContact CG2-CB 3.9Å; R141-A143 PolarHBondContact O-N 2.97Å; A143-M145 HydrophobicContact CB-CE 4.29Å
144E83.1Confident70.3Confident63 Ų6371.6 Ų71.629%0.29436%0.358SS..EExtended strand (participates in β ladder)trans-68136.1163.6-176172-150.300108.9K13 R43 N116 L117 V118K13-E144 IonicContact NZ-OE1 2.76Å; K13-E144 PolarHBondContact NZ-OE1 2.84Å; R43-E144 IonicContact CZ-OE2 3.81Å; R43-E144 IonicContact NH2-OE2 2.72Å; R43-E144 PolarHBondContact NH2-OE2 2.67Å; N116-E144 PolarHBondContact O-N 3.43Å; L117-E144 WeakPolarHBondContact CA-O 3.12Å; L117-E144 HydrophobicContact CD1-CB 4.02Å; L117-E144 HydrophobicContact CD1-CG 4.17Å; V118-E144 PolarHBondContact N-O 3.32Å
145M86.8Confident67.9Low10 Ų1070.4 Ų70.45%0.04936%0.359CS..EExtended strand (participates in β ladder)trans-103.4124177.1-59.8-71.8168.300109.5T19 T20 F21 T22 V118 L136 A143T19-M145 HydrophobicContact CG2-CB 4.41Å; 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 3.26Å; F21-M145 WeakPolarHBondContact CA-O 3.43Å; F21-M145 HydrophobicContact CD1-CB 3.37Å; F21-M145 HydrophobicContact CD1-CG 3.93Å; F21-M145 HydrophobicContact CE1-CB 3.59Å; F21-M145 HydrophobicContact CE1-CG 3.6Å; F21-M145 HydrophobicContact CE1-SD 4.37Å; F21-M145 HydrophobicContact CG-CB 4.01Å; F21-M145 HydrophobicContact CZ-CB 4.39Å; F21-M145 HydrophobicContact CZ-CG 4.04Å; T22-M145 PolarHBondContact N-O 3.18Å; V118-M145 HydrophobicContact CB-CE 4.47Å; V118-M145 HydrophobicContact CB-SD 3.7Å; V118-M145 HydrophobicContact CG1-SD 4.1Å; V118-M145 HydrophobicContact CG2-CE 4.39Å; V118-M145 HydrophobicContact CG2-SD 4.25Å; L136-M145 HydrophobicContact CB-CE 4.49Å; A143-M145 HydrophobicContact CB-CE 4.29Å
146L88Confident65.7Low13 Ų1374.3 Ų74.37%0.06838%0.381CS..EExtended strand (participates in β ladder)trans-113.6130.6171.7177.862.8000108.9T22 A24 F35 T39 L117 V118 I119 H120T22-L146 HydrophobicContact CG2-CD1 4.15Å; T22-L146 CarbonylContact O-C 3.56Å; T22-L146 WeakPolarHBondContact O-CA 3.32Å; T22-L146 WeakPolarHBondContact O-CD1 3.28Å; A24-L146 HydrophobicContact CB-CD1 4.2Å; F35-L146 HydrophobicContact CE1-CD2 4.33Å; T39-L146 HydrophobicContact CG2-CD2 4.18Å; L117-L146 HydrophobicContact CD1-CB 4.12Å; V118-L146 PolarHBondContact O-N 2.9Å; I119-L146 CarbonylContact C-O 3.56Å; I119-L146 WeakPolarHBondContact CA-O 3.45Å; I119-L146 HydrophobicContact CD1-CD2 4.17Å; I119-L146 HydrophobicContact CG1-CB 4.26Å; I119-L146 HydrophobicContact CG1-CD2 4.15Å; I119-L146 HydrophobicContact CG2-CB 4.34Å; I119-L146 HydrophobicContact CG2-CD2 4.06Å; I119-L146 HydrophobicContact CG2-CG 4.16Å; H120-L146 PolarHBondContact N-O 2.88Å
147V87.8Confident63.5Low0 Ų083.6 Ų83.60%042%0.422CS..EExtended strand (participates in β ladder)trans-117.8122.7177178.40000108.2F21 T22 Y23 A24 H120 L123F21-V147 HydrophobicContact CD1-CG2 4.25Å; T22-V147 PolarHBondContact O-N 3.32Å; Y23-V147 WeakPolarHBondContact CA-O 3.45Å; Y23-V147 HydrophobicContact CD1-CB 3.66Å; Y23-V147 HydrophobicContact CD1-CG1 3.61Å; Y23-V147 HydrophobicContact CD1-CG2 4.22Å; Y23-V147 HydrophobicContact CE1-CB 3.82Å; Y23-V147 HydrophobicContact CE1-CG1 3.64Å; Y23-V147 HydrophobicContact CE1-CG2 3.91Å; Y23-V147 HydrophobicContact CG-CB 4.21Å; A24-V147 PolarHBondContact N-O 3.09Å; H120-V147 HydrophobicContact CB-CG2 4.36Å; L123-V147 HydrophobicContact CD1-CG1 3.69Å; L123-V147 HydrophobicContact CD2-CG1 3.73Å; L123-V147 HydrophobicContact CG-CG1 3.84Å
148I86.9Confident61.5Low8 Ų888.9 Ų88.94%0.04144%0.438CS..EExtended strand (participates in β ladder)trans-96.2116169.7-61.4178.9000107.6P26 F35 L36 I119 H120P26-I148 HydrophobicContact CG-CG2 4.11Å; F35-I148 HydrophobicContact CD1-CD1 4.22Å; F35-I148 HydrophobicContact CE1-CD1 4.49Å; F35-I148 HydrophobicContact CE1-CG1 4.47Å; L36-I148 HydrophobicContact CB-CD1 4.11Å; L36-I148 HydrophobicContact CD1-CD1 3.99Å; L36-I148 HydrophobicContact CD2-CD1 4.46Å; L36-I148 HydrophobicContact CG-CD1 4.43Å; I119-I148 HydrophobicContact CG2-CD1 4.19Å; I119-I148 HydrophobicContact CG2-CG1 4.39Å; H120-I148 PolarHBondContact O-N 3.32Å
149T77.6Confident59.5Low32 Ų3288.8 Ų88.820%0.19646%0.457CS..PPolyproline II helixtrans-81.8133.716937.20000109.3A24 S25 L123A24-T149 PolarHBondContact O-N 3.38Å; A24-T149 VanDerWaalsContact O-N 3.1Å; A24-T149 PolarHBondContact O-OG1 2.82Å; A24-T149 VanDerWaalsContact O-OG1 3.04Å; S25-T149 WeakPolarHBondContact CA-OG1 3.39Å; S25-T149 PolarHBondContact OG-OG1 3.05Å; L123-T149 HydrophobicContact CD1-CG2 4.11Å
150P59.4Low57.8Low84 Ų8499.4 Ų99.455%0.54550%0.503SS..PPolyproline II helixtrans-66.2156.2167.830.2-33.9000110.1
151C53.9Low56Low68 Ų68102.9 Ų102.946%0.45954%0.539SS..  trans-110.6113.4168-163.90000107P26 E153P26-C151 WeakPolarHBondContact O-CB 3.41Å; C151-E153 PolarHBondContact O-N 3.27Å; C151-E153 VanDerWaalsContact O-N 3.11Å
152D45Very low54.4Low108 Ų108103 Ų10358%0.57855%0.548SS*.  trans-82.390.9-169.1-60.2-39.5000111.2E154 N155D152-E154 PolarHBondContact O-N 3.2Å; D152-N155 PolarHBondContact O-N 3.25Å
153E41.6Very low52.5Low139 Ų139102 Ų10265%0.6555%0.549SS*.THydrogen-bonded Turntrans-62.8-2.2178.5-67.5175.8-156.600114.1S28 C151S28-E153 WeakPolarHBondContact CB-OE1 3.42Å; C151-E153 PolarHBondContact O-N 3.27Å; C151-E153 VanDerWaalsContact O-N 3.11Å
154E35.1Very low50.1Low182 Ų182110.6 Ų110.685%0.8559%0.587SS**THydrogen-bonded Turntrans-83.8-14.8178.6-61-161138.300114.2D152D152-E154 PolarHBondContact O-N 3.2Å
155N31Very low47.7Very low125 Ų125113.3 Ų113.367%0.66861%0.611SS**SBendtrans-88.9-12.5-175.5-78.9-46.6000115.8D152 K157D152-N155 PolarHBondContact O-N 3.25Å; N155-K157 PolarHBondContact O-N 3.3Å
156E34.3Very low44.7Very low190 Ų190121.9 Ų121.989%0.88865%0.651SS**THydrogen-bonded Turntrans-77.123.7178.4-68.4-160.1151.700114.4
157K34.4Very low41.8Very low197 Ų197129.1 Ų129.186%0.85769%0.687SS**THydrogen-bonded Turntrans-119.75.9179.3-81.3-175.7179.2169.20116.3N155N155-K157 PolarHBondContact O-N 3.3Å
158E32.2Very low38.7Very low188 Ų188135.1 Ų135.188%0.87972%0.724SS**SBendtrans-130.5134.6161.4-83.4-176.4179.300110.9
159G29.3Very low35.9Very low81 Ų81143.2 Ų143.284%0.83576%0.762SS**  trans106.172.1174.800000116.5
160K31Very low33.4Very low225 Ų225151 Ų15198%0.97880%0.795SS**  trans-79.5115.9150.3-83.7-167.3174.6-1700108.8
161G28.8Very low31.6Very low76 Ų76157.9 Ų157.978%0.78481%0.811SS**  trans-166.2119.7172.100000110.7
162E31.8Very low30.1Very low195 Ų195162.4 Ų162.491%0.91183%0.827SS**  trans-91.8127.7-177.9-60.5169.7137.200111
163T26.2Very low29.3Very low152 Ų152162.4 Ų162.493%0.93383%0.833SS**  trans-164.6152.5142.312.40000111.9
164E27.6Very low28.5Very low187 Ų187163.2 Ų163.287%0.87484%0.841SS**  trans-80.6163.7175.4-89.1-171.3136.600112.9
165P33.7Very low27.8Very low120 Ų120162.8 Ų162.878%0.77984%0.836SS**  trans-89142.5-16433.8-35.7000114.9
166E22.4Very low27.5Very low190 Ų190163 Ų16389%0.88884%0.842SS**  trans-112.8145.9160.2-75.3-159133.600112.1
167I27.8Very low27Very low164 Ų164159.9 Ų159.984%0.84183%0.831SS**  trans-96.1113.2-177.6-61168.4000109.3
168V23.6Very low26.6Very low126 Ų126154.4 Ų154.476%0.76482%0.823SS**  trans-122.9120.9165.7-178.50000110.1
169Q27.9Very low26.2Very low179 Ų179152.4 Ų152.484%0.83682%0.817SS**  trans-74.7135.4172.1-60.5171.6-11.200109.9
170Q24.1Very low26Very low194 Ų194156 Ų15691%0.90782%0.817SS**  trans-145.5128151.4-114.7164.939.200111.5
171R22Very low25.8Very low230 Ų230150 Ų15087%0.86880%0.803SS**  trans-106.3135.3178.4-88.7178163.9175.4-5.3109.1
172M22.9Very low25.5Very low162 Ų162154 Ų15480%0.79880%0.804SS**  trans68.2167.8148.4-69.8-170.28000115.6
173P28.6Very low25.2Very low108 Ų108152.8 Ų152.870%0.70180%0.798SS**  cis-127.4157.51042.2-27.6000117.3
174L23.2Very low25.1Very low156 Ų156152.9 Ų152.982%0.81779%0.792SS**  trans-64.2145.5150.3-78.2152.6000109.4
175K21.4Very low24.9Very low173 Ų173153.5 Ų153.575%0.75279%0.788SS**  trans-122.2132.7161.4-109.7-166.2161-117.40110.7D177K175-D177 IonicContact NZ-OD2 2.91Å; K175-D177 PolarHBondContact NZ-OD2 3.4Å
176V24.8Very low24.5Very low131 Ų131154.8 Ų154.879%0.79478%0.784SS**  trans-127.6126.9172.6175.20000106.2
177D23.2Very low24.6Very low124 Ų124152.1 Ų152.166%0.66377%0.774SS**  trans-152.3134.3174.6-81.4-55.3000105.9K175K175-D177 IonicContact NZ-OD2 2.91Å; K175-D177 PolarHBondContact NZ-OD2 3.4Å
178A26Very low24.5Very low82 Ų82152.5 Ų152.568%0.67877%0.77SS**  cis-159.3161-8.200000112.3
179L25.1Very low24.6Very low145 Ų145152.4 Ų152.476%0.75976%0.761SS**  trans36.9129.6152.8-93.866.6000121.8
180N23.7Very low24.4Very low157 Ų157149.7 Ų149.784%0.8475%0.752SS**  -153.5166.389.2-118-23.1000112.8
181S27Very low24.5Very low98 Ų98146.5 Ų146.569%0.68575%0.746SS**  trans-147.3156.4-164.457.80000113.7
182M23.5Very low25.3Very low162 Ų162140.9 Ų140.980%0.79874%0.739SS**  trans-162.9108.5148.8-113.6-174.278.900114.3
183Q25.5Very low26.6Very low169 Ų169138.2 Ų138.279%0.7973%0.734SS**  trans58.3152.4137.2-66.8179.3-25.800123.6
184L22.2Very low26.4Very low153 Ų153139.5 Ų139.580%0.80174%0.74SS**  trans-95.1172.4-178.4-8069.1000112.2
185Y24.4Very low26.5Very low201 Ų201136.6 Ų136.679%0.78873%0.733SS**  155.1144.8119.2-95.6-96000108.8
186E24.8Very low26.7Very low147 Ų147132.4 Ų132.469%0.68773%0.725SS**  cis-172.9-171.6-21.2-173.3178.7-124.700107.4
187I25.9Very low26.9Very low133 Ų133134.2 Ų134.268%0.68273%0.725SS**  trans91.4103.3154.9-57.6174.7000117.9
188K24Very low27Very low173 Ų173133.5 Ų133.575%0.75272%0.721SS**  46.7154123.6-64175.8153.3-137.40120.9
189E25.7Very low27.1Very low124 Ų124137.7 Ų137.758%0.57972%0.721SS**  cis-160.5170.910-132.9168.6-130.100113.5
190N24.8Very low27.2Very low121 Ų121139.4 Ų139.465%0.64772%0.722SS**  trans64.6102.7152.2-59.6-34.2000122.9
191T26Very low27.3Very low128 Ų128136 Ų13679%0.78572%0.715SS**  17.1160.7114.433.20000123.2
192P37.8Very low27.4Very low112 Ų112140.5 Ų140.573%0.72773%0.725SS**  trans-119.6-127.8-145.344.6-28000111
193P50Low27.6Very low105 Ų105137.4 Ų137.468%0.68273%0.726SS**  cis-120.6-177.5-41.538.5-24.2000112.6
194T24.5Very low27.8Very low136 Ų136136.5 Ų136.583%0.83473%0.726SS**  trans160.3157.2146.932.50000109.1
195S25.9Very low28Very low95 Ų95134.8 Ų134.866%0.66472%0.722SS**  cis-165.3177.7-30.654.60000108.8
196S26.2Very low28.1Very low85 Ų85132.3 Ų132.359%0.59472%0.722SS**  trans22.9139142.862.20000120.7
197E27.6Very low28.2Very low168 Ų168131.9 Ų131.979%0.78572%0.723SS**  cis179.3158-5.8-117.1154175.600107.5
198D27.1Very low28.3Very low110 Ų110130.9 Ų130.959%0.58873%0.728SS**  trans66.9138140.4-77.1-10.1000128
199Y26.8Very low28.4Very low170 Ų170127 Ų12767%0.66773%0.728SS**  trans74.1102.2137.3-64.7-36.9000126.2
200K27Very low28.4Very low181 Ų181125.6 Ų125.679%0.78774%0.738SS**  80.3166.3110.7-84.2174.4179.7170.40122.9
201A27.5Very low28.4Very low84 Ų84126 Ų12669%0.69475%0.745SS**  trans71.7120.1177.400000114.8
202E27.5Very low29Very low193 Ų193125.4 Ų125.490%0.90274%0.743SS**  cis75.5109.246.4-63.4-176.1144.400114.4
203A29Very low28.3Very low97 Ų97124.4 Ų124.480%0.80275%0.745SS**  170.4117.2125.900000114.1
204D28.5Very low27.1Very low150 Ų150125.7 Ų125.780%0.80275%0.75SS**  59.7112.3127.1-73.29.8000127
205V27.4Very low27.2Very low117 Ų117126.2 Ų126.271%0.70975%0.747SS**  83148.5112.3174.90000121.6
206L26.8Very low27.6Very low150 Ų150127.4 Ų127.479%0.78575%0.752SS**  trans82.4159.8176.4-52.2-172000119
207L26.8Very low27.6Very low138 Ų138129.9 Ų129.972%0.72376%0.759SS**  -170.8134-56.5-136.1162.6000109.5
208S26.5Very low27.6Very low111 Ų111129.8 Ų129.878%0.77676%0.764SS**  trans62.7169.1164.373.90000117.3
209A26.8Very low27.6Very low92 Ų92131 Ų13176%0.7677%0.77SS**  cis-165169.8-3800000110.4
210A26Very low27.7Very low94 Ų94132.9 Ų132.978%0.77778%0.782SS**  trans70.2112.615900000122.2
211T23.7Very low27.7Very low130 Ų130132.9 Ų132.980%0.79878%0.784SS**  -6.2166.6127.444.90000121.2
212P39.3Very low27.6Very low115 Ų115137 Ų13775%0.74779%0.79SS**  cis-143.1177.1-17.336.7-16.5000117.5
213A23.8Very low27.4Very low92 Ų92134.7 Ų134.776%0.7678%0.779SS**  trans69.1161.6157.300000117.4
214T24Very low27.2Very low131 Ų131136.9 Ų136.980%0.80478%0.776SS**  cis-145.7158.19.5-42.60000112.8
215I27.7Very low26.9Very low147 Ų147136.4 Ų136.475%0.75477%0.773SS**  trans-42.3142.1163.1-71.6160000112.7
216P33.6Very low26.7Very low121 Ų121138 Ų13879%0.78678%0.777SS**  -146.6173.569.940.5-20.2000120.3
217N26.6Very low26.5Very low136 Ų136135.9 Ų135.973%0.72777%0.774SS**  trans-44.4159177.3-56.9-5.8000116.7
218D26.9Very low26.3Very low166 Ų166135.2 Ų135.289%0.88878%0.776SS**  -141.2156.3120-140.6-22.1000111.4
219N28.3Very low26.3Very low135 Ų135139 Ų13972%0.72278%0.781SS**  trans-101.3145.3-173.9-82.5-18.2000112.8
220K27.6Very low26.2Very low211 Ų211142.2 Ų142.292%0.91779%0.786SS**  trans-158.7151.8138.6-117.1164.3-173.5174.80113.5
221E26.5Very low26.1Very low180 Ų180141.4 Ų141.484%0.84178%0.779SS**  trans-106.6149-166.3-58158112.500111.8
222Q26.1Very low26.1Very low172 Ų172142 Ų14280%0.80478%0.783SS**  trans168.3137.1150.9-96.4177.4-44.300107.8
223E24.6Very low25.3Very low144 Ų144143.2 Ų143.267%0.67379%0.787SS**  cis-157.6138.3-4.2-137.3159-13500110
224I23.4Very low25.3Very low143 Ų143148.1 Ų148.173%0.73379%0.792SS**  trans31.6111145.2-54.1176.1000117.9
225N22Very low25.3Very low139 Ų139149.2 Ų149.274%0.74379%0.792SS**  57.2148.985.6-77.1-28.4000115.4
226L23.5Very low25.2Very low151 Ų151149.8 Ų149.879%0.79180%0.796SS**  cis-165.9-170.83.8-122.9168.4000109.2
227S22.9Very low24.6Very low106 Ų106149 Ų14974%0.74180%0.8SS**  trans75.6150.3159.8-95.10000119.8
228V23.6Very low24.5Very low124 Ų124146.7 Ų146.775%0.75279%0.794SS**  cis-164.5162.2-22.9116.90000108.6
229E26.2Very low24.3Very low191 Ų191148.6 Ų148.689%0.89380%0.795SS**  trans-77.9116.2165.8-62.3174115.300111.7
230D24Very low24.1Very low159 Ų159150.6 Ų150.685%0.8580%0.8SS**  trans-169.2176.4141.4-143.1-20.1000113.7
231A23Very low24Very low77 Ų77149.2 Ų149.264%0.63680%0.801SS**  trans79.470.2153.900000118.8
232T23.8Very low23.9Very low142 Ų142144.3 Ų144.387%0.87180%0.799SS**  -140.634.8128.6-20.10000116K234T232-K234 PolarHBondContact O-N 3.11Å
233V23.5Very low23.8Very low140 Ų140141.3 Ų141.385%0.84880%0.797SS**  trans-8190.2150.3179.60000107.6
234K23.9Very low23.9Very low195 Ų195140.1 Ų140.185%0.84880%0.8SS**  trans-147.733.8170.2-134.6173.6-170.7175.80115.2T232T232-K234 PolarHBondContact O-N 3.11Å
235L23.2Very low24.1Very low155 Ų155140 Ų14081%0.81280%0.801SS**SBendtrans-118.4140157.6-99.2164.7000108.4
236L25.6Very low24.4Very low159 Ų159138.4 Ų138.483%0.83280%0.8SS**  trans68.177175.7-50.7-178.6000116.4
237A21.5Very low24.6Very low105 Ų105136 Ų13687%0.86880%0.802SS**  trans-125.765.715400000109.8
238S24.2Very low24.9Very low87 Ų87134.9 Ų134.961%0.60880%0.799SS**  trans-169.5104.617253.90000111.8
239F23.3Very low25.2Very low206 Ų206135 Ų13590%0.90480%0.8SS**  174.7142116.9-98.8-70.6000110.9
240E23.4Very low25.3Very low177 Ų177132 Ų13283%0.82779%0.79SS**  trans-102.4-174.4-179.7-61.1179112.300112
241L26.3Very low25.6Very low182 Ų182132.4 Ų132.495%0.95379%0.787SS**  trans78.7124.8-172.8-53.1145.2000112.1
242G23.8Very low25.8Very low77 Ų77133.9 Ų133.979%0.79479%0.792SS**  cis117.3137.61400000109.7
243S24.2Very low26.1Very low109 Ų109132.3 Ų132.376%0.76279%0.787SS**  cis-137.7-145.4-7.848.10000108
244T26.5Very low27.4Very low119 Ų119131.1 Ų131.173%0.7378%0.783SS**  cis-173.6157.72.23.10000104.3
245D28.5Very low27.6Very low141 Ų141126.7 Ų126.775%0.75478%0.782SS**  cis-163.3-176.6-2.5-151.3-28.3000109
246S28.1Very low27.8Very low105 Ų105124.3 Ų124.373%0.73479%0.785SS**  trans67.2121.6168.866.10000117.3
247A27.6Very low27.9Very low99 Ų99121.7 Ų121.782%0.81879%0.786SS**  cis95140.145.900000112.9
248A28.8Very low28.1Very low83 Ų83125.9 Ų125.969%0.68679%0.785SS**  cis-171.6167.7-13.600000110
249V29.8Very low28.2Very low128 Ų128131.3 Ų131.378%0.77680%0.798SS**  trans64.1132.3143.6160.40000118
250D29.2Very low28.3Very low127 Ų127128.8 Ų128.868%0.67979%0.794SS**  cis-165.3-176.2-4.4-128.8-31000113.7
251E28.7Very low28.6Very low168 Ų168124.7 Ų124.779%0.78579%0.79SS**  trans16.3154142.7-77.3-170.8176.500123
252S28.2Very low29.3Very low107 Ų107121.5 Ų121.575%0.74878%0.78SS**  cis-164-179.60.543.30000112.3
253S29.3Very low29.4Very low109 Ų109123.1 Ų123.176%0.76277%0.774SS**  trans-120-171.1167.7-143.60000108.1
254P51Low29.4Very low116 Ų116128.6 Ų128.675%0.75378%0.78SS**  cis-135.1-165-9.943-25.3000112.6
255A28Very low29.2Very low102 Ų102127.6 Ų127.684%0.84378%0.778SS**  trans-178.2160.9135.900000112.3
256A27.6Very low30.2Very low105 Ų105125.8 Ų125.887%0.86877%0.774SS**  trans-148.4155.1177.700000112.6
257A27Very low30.1Very low103 Ų103130.5 Ų130.585%0.85178%0.781SS**  trans-156.5155.1163.300000112.1
258K27.5Very low30Very low194 Ų194131.4 Ų131.484%0.84378%0.776SS**  trans-111.9160.3167.9-57.7172.8-177.9174.20108.5
259F24.7Very low29.8Very low201 Ų201134.5 Ų134.588%0.88279%0.787SS**  -174.3168.9119-113.9-82.8000111.9
260N26.1Very low29.6Very low153 Ų153136.1 Ų136.182%0.81879%0.786SS**  trans-95.8160.4-175.1-69-24.3000113.3
261A30.1Very low29.4Very low90 Ų90136.9 Ų136.974%0.74479%0.79SS**  trans-69.2175.1161.600000111.8
262P41.4Very low29.9Very low115 Ų115133.9 Ų133.975%0.74779%0.785SS**  -159.3177.595.839.5-18.1000118.5
263V24.4Very low29.8Very low111 Ų111135.7 Ų135.767%0.67379%0.792SS**  trans68.1116.8158.5-152.20000120.2
264Y24Very low29.8Very low224 Ų224140.4 Ų140.488%0.87880%0.799SS**  -175.8158.4103.3-106.1-75.5000114.3
265S24.4Very low28.6Very low99 Ų99140 Ų14069%0.69280%0.798SS**  trans-137.4-174.417365.70000108
266P48.8Very low28.6Very low103 Ų103141.9 Ų141.967%0.66979%0.794SS**  cis-124.4-172-14.941.7-27.6000111.8
267F24.8Very low29.1Very low203 Ų203145.2 Ų145.289%0.8980%0.797SS**  trans-172.1179.8130.5-110.7-70.8000111.9
268V26.5Very low29.3Very low118 Ų118143.2 Ų143.272%0.71578%0.78SS**  trans-131.5149.3-160.7175.90000111.7
269T24.6Very low29.5Very low149 Ų149142.6 Ų142.691%0.91478%0.78SS**  trans-147.5161.6155.913.70000110.7
270E25.6Very low29.8Very low162 Ų162142.2 Ų142.276%0.75778%0.779SS**  trans-114.6149.6-159.1-51.9178.1104.100115.2
271N25.2Very low30Very low143 Ų143142.3 Ų142.377%0.76577%0.774SS**  trans60.3170.6141.2-74.6-32.7000120.3
272P39Very low30.1Very low104 Ų104145.6 Ų145.668%0.67577%0.774SS**  cis-126.4169.6-34.136-22.3000112.8
273T25.7Very low29.5Very low145 Ų145149.1 Ų149.189%0.8978%0.778SS**  -177.4140.312819.60000113.7
274K28.8Very low29.9Very low209 Ų209149.7 Ų149.791%0.90978%0.781SS**  trans-146.9122161-95.5-169.7174.4-173.90107.5
275S27.5Very low30.1Very low106 Ų106146.9 Ų146.974%0.74177%0.774SS**  trans-176.5154.6154.8-159.10000109.6
276L27.7Very low30.3Very low142 Ų142146.2 Ų146.274%0.74377%0.77SS**  trans63.2108.9171.1-54.2154000114.7A278L276-A278 HydrophobicContact CD2-CB 3.8Å
277D38.2Very low29.3Very low175 Ų175149.1 Ų149.194%0.93678%0.779SS**  cis53.761.80.7-75.3-19.3000115.9
278A30.4Very low29.3Very low61 Ų61149.2 Ų149.250%0.50478%0.779SS.*  trans-147.6-61.1164.100000113.2L276 F280L276-A278 HydrophobicContact CD2-CB 3.8Å; A278-F280 PolarHBondContact O-N 3.29Å
279E32.2Very low29.4Very low181 Ų181149.8 Ų149.885%0.84678%0.782SS**G310 helixtrans-79.3-15.3-157.5-64.3-175.1128.900116.2Q281E279-Q281 PolarHBondContact O-N 3.1Å
280F31Very low29.7Very low193 Ų193147.9 Ų147.985%0.84677%0.772SS**G310 helixtrans-86-1.3-176.1-138-95.2000115.2A278A278-F280 PolarHBondContact O-N 3.29Å
281Q30.5Very low29.7Very low155 Ų155145.7 Ų145.772%0.72477%0.772SS**G310 helixtrans-96.6-6.1178-73.2-155.57.500115.1E279E279-Q281 PolarHBondContact O-N 3.1Å
282E30.4Very low29.8Very low159 Ų159145 Ų14574%0.74378%0.776SS**THydrogen-bonded Turntrans-86.3-38.4-176.8-165.3145.4-135.700112.6V284 K285E282-V284 PolarHBondContact O-N 3.36Å; E282-V284 VanDerWaalsContact O-N 3.09Å; E282-K285 PolarHBondContact O-N 3.02Å
283F30.1Very low29.1Very low190 Ų190145.2 Ų145.283%0.83378%0.779SS**THydrogen-bonded Turntrans-67.8-12.1-177.4-144.7-94.4000114.8
284V31.9Very low29.1Very low122 Ų122145 Ų14574%0.73978%0.777SS**THydrogen-bonded Turntrans-95.4-3-178.2-173.50000112.3E282E282-V284 PolarHBondContact O-N 3.36Å; E282-V284 VanDerWaalsContact O-N 3.09Å
285K28.6Very low28.8Very low165 Ų165140.2 Ų140.272%0.71777%0.77SS**SBendtrans-90.2-17.7-178.8-76.3173.5174.8164.40114.7E282E282-K285 PolarHBondContact O-N 3.02Å
286S29.8Very low28.8Very low86 Ų86142.5 Ų142.560%0.60177%0.772SS**SBendtrans-103.676.9-178.257.90000112.9
287L27Very low28.5Very low164 Ų164144.6 Ų144.686%0.85978%0.778SS**  trans175.682.2149.4-97.4162000110.3
288K24.9Very low27.8Very low205 Ų205144 Ų14489%0.89177%0.77SS**  trans-124.6122.9164.2-80.9-173.1175.4-178.40109.3
289V28.8Very low27.5Very low129 Ų129147.1 Ų147.178%0.78279%0.785SS**  trans-133.2135171.1-1800000106.4
290P30Very low27.1Very low109 Ų109144.3 Ų144.371%0.70878%0.78SS**PPolyproline II helixtrans-78.7162.5-165.431.2-36.8000113.9
291P26.8Very low26.8Very low116 Ų116140.6 Ų140.675%0.75378%0.778SS**PPolyproline II helixtrans-69.6144.9173.330.5-35.5000111.5
292P26.9Very low26.4Very low130 Ų130139 Ų13984%0.84478%0.784SS**PPolyproline II helixtrans-70.9133.6172.629.5-33.4000111
293S24.6Very low26Very low107 Ų107135.6 Ų135.675%0.74878%0.783SS**PPolyproline II helixtrans-73.7145.617348.60000111.8
294V25.3Very low25.7Very low140 Ų140132 Ų13285%0.84878%0.782SS**PPolyproline II helixtrans-70.9127.1166.1177.70000109.4
295S22.8Very low25.3Very low109 Ų109131.4 Ų131.476%0.76279%0.79SS**  trans-125.6133.8166.950.80000109.1
296I26.3Very low25.1Very low154 Ų154128.5 Ų128.579%0.7979%0.79SS**  trans-94.5124.9-176.2-61.2165.4000108.6
297E22.9Very low24.8Very low186 Ų186130.4 Ų130.487%0.86979%0.793SS**  trans-133.9128.5158.7-69.8-167.814700109.3
298E23.3Very low24.7Very low164 Ų164132.7 Ų132.777%0.76679%0.792SS**  trans-84.7153170-58.9-178.8133.900110.2
299P24.3Very low24.6Very low126 Ų126133.7 Ų133.782%0.81879%0.79SS**  trans-115.2104.2144.632.8-25.9000110.6S301P299-S301 PolarHBondContact O-N 3.15Å
300V22.6Very low24.5Very low121 Ų121135.1 Ų135.173%0.73379%0.788SS**  trans-75.6118.7167.5176.70000109.4
301S24.5Very low24.2Very low116 Ų116138.5 Ų138.581%0.81180%0.795SS**  trans-148.4115.3161.667.40000112.1P299P299-S301 PolarHBondContact O-N 3.15Å
302S22Very low24.1Very low121 Ų121140.1 Ų140.185%0.84680%0.795SS**  trans-96.3121.1177.855.10000112.2
303A23.3Very low23.9Very low88 Ų88141 Ų14173%0.72779%0.793SS**  trans-158.6101.4164.600000107.7
304S22.6Very low24.3Very low115 Ų115142.3 Ų142.380%0.80480%0.797SS**  70.3120.49170.60000114
305A24.7Very low24.2Very low109 Ų109142 Ų14290%0.90180%0.795SS**  trans-81.7143.3178.400000112.8
306S22.8Very low24.3Very low104 Ų104140.5 Ų140.573%0.72779%0.785SS**  trans-157.3148.8160.758.40000110.9
307D25.4Very low24.3Very low126 Ų126140.7 Ų140.767%0.67479%0.787SS**  trans-53.1141.9-176.5-61.9-101.5000115.6
308Y23.4Very low24.5Very low212 Ų212138.9 Ų138.983%0.83178%0.783SS**  trans-134.197.7140.3-94.8-79.1000110.2H310Y308-H310 PolarHBondContact O-N 2.95Å
309R23.4Very low24.5Very low225 Ų225135.6 Ų135.685%0.84978%0.778SS**  trans-74.7112.8164.8-67.1-179.6-178-177.1-0.9108.6
310H25.9Very low24.6Very low159 Ų159137 Ų13774%0.73678%0.777SS**  trans-99.5120.5156-99.7-78.5000109.4Y308Y308-H310 PolarHBondContact O-N 2.95Å
311Q24.5Very low24.7Very low181 Ų181142 Ų14285%0.84678%0.782SS**  trans-65136.4161.1-67.9166.8-83.600108
312I25.1Very low24.8Very low150 Ų150141.9 Ų141.977%0.76978%0.777SS**  trans-122115.5168.6-63.3177.5000105.3
313D22.4Very low25.1Very low147 Ų147141.2 Ų141.279%0.78677%0.768SS**  trans-65.8145.2179.3-76.7-56000111.7T315D313-T315 PolarHBondContact O-N 3.42Å
314T31.6Very low25.4Very low136 Ų136145.8 Ų145.883%0.83477%0.771SS**  trans-95.391.6-172.852.20000112.3
315T24.1Very low26.4Very low132 Ų132143.2 Ų143.281%0.8175%0.748SS**  trans-150.9141.7164.633.70000113.1D313D313-T315 PolarHBondContact O-N 3.42Å
316S25Very low27.1Very low79 Ų79142.6 Ų142.655%0.55274%0.738SS**  trans61.2133.5176177.50000117.7D318S316-D318 WeakPolarHBondContact OG-CB 3.33Å; S316-D318 PolarHBondContact OG-N 3.19Å; S316-D318 VanDerWaalsContact OG-N 3.08Å; S316-D318 PolarHBondContact OG-OD2 2.86Å
317L27.1Very low28.2Very low158 Ų158141.4 Ų141.483%0.82773%0.727SS**SBendtrans-99.2-0.3170.7-92.6161.3000112.6S319L317-S319 PolarHBondContact O-N 2.93Å
318D25.3Very low29.2Very low148 Ų148135.5 Ų135.579%0.79170%0.696SS**THydrogen-bonded Turntrans-81.215.5-165.4-47.3-69.8000113.7S316S316-D318 WeakPolarHBondContact OG-CB 3.33Å; S316-D318 PolarHBondContact OG-N 3.19Å; S316-D318 VanDerWaalsContact OG-N 3.08Å; S316-D318 PolarHBondContact OG-OD2 2.86Å
319S24.5Very low30Very low94 Ų94129.2 Ų129.266%0.65768%0.683SS**THydrogen-bonded Turntrans-122.726.5-169.1630000114.9L317 R321L317-S319 PolarHBondContact O-N 2.93Å; S319-R321 VanDerWaalsContact C-N 3.34Å; S319-R321 PolarHBondContact O-N 2.8Å
320I27Very low31.3Very low155 Ų155119.3 Ų119.380%0.79565%0.647SS**  trans-63.398.1160.8-58.6-179.1000107.9T322I320-T322 PolarHBondContact O-N 3.14Å
321R24.1Very low31.7Very low227 Ų227115.1 Ų115.186%0.85764%0.64SS**  trans-54.6135.6179.1-70.5-178.6174.8179.6-1.6110.3S319 V323S319-R321 VanDerWaalsContact C-N 3.34Å; S319-R321 PolarHBondContact O-N 2.8Å; R321-V323 PolarHBondContact O-N 3.39Å
322T25.9Very low32.5Very low114 Ų114108.5 Ų108.570%0.69961%0.611SS**  trans-62.396.7-177.836.20000111.9I320 K324I320-T322 PolarHBondContact O-N 3.14Å; T322-K324 PolarHBondContact O-N 3.01Å
323V28.1Very low33Very low107 Ų107106.9 Ų106.965%0.64861%0.608SS**  trans-63104160179.30000106.5R321 D325R321-V323 PolarHBondContact O-N 3.39Å; V323-D325 PolarHBondContact O-N 3.24Å
324K31.1Very low34.1Very low183 Ų183101.8 Ų101.880%0.79658%0.583SS**  trans-67.9102.4172.4-73.7-174.3175-177.50108.2T322 S326T322-K324 PolarHBondContact O-N 3.01Å; K324-S326 PolarHBondContact O-N 3.04Å
325D42.3Very low34.8Very low61 Ų61100.2 Ų100.233%0.32657%0.565SS.*  trans-53110.8164.1-78.2-31000107.4V323 P758 A759 H760V323-D325 PolarHBondContact O-N 3.24Å; D325-P758 WeakPolarHBondContact OD2-CA 3.4Å; D325-A759 PolarHBondContact OD1-N 2.66Å; D325-A759 PolarHBondContact OD2-N 3.13Å; D325-H760 WeakPolarHBondContact OD2-CB 3.41Å; D325-H760 PolarHBondContact OD2-N 3.04Å
326S39.4Very low36Very low97 Ų9796.9 Ų96.968%0.67855%0.547SS*.  trans-66.9144.6-177-73.70000110.7K324 A328K324-S326 PolarHBondContact O-N 3.04Å; S326-A328 PolarHBondContact O-N 3.45Å
327P45.9Very low36.9Very low79 Ų7996.8 Ų96.851%0.51355%0.551SS.*  trans-56.6127.4-176.322.5-33.8000111.1S329P327-S329 PolarHBondContact O-N 3.31Å
328A46.7Very low38.5Very low1 Ų192.2 Ų92.21%0.00854%0.542CS..BIsolated β-bridgetrans-71.5106.6-17100000110.4S326 L330 L601 Y750 L755S326-A328 PolarHBondContact O-N 3.45Å; A328-L330 PolarHBondContact O-N 3.05Å; A328-L601 PolarHBondContact N-O 3.3Å; A328-Y750 HydrophobicContact CB-CE1 3.92Å; A328-L755 HydrophobicContact CB-CB 4.48Å; A328-L755 HydrophobicContact CB-CD1 4.22Å; A328-L755 HydrophobicContact CB-CD2 4.43Å
329S40.1Very low40.7Very low80 Ų8087 Ų8756%0.55952%0.523SS*.  trans-72.997.3176.5-169.60000110.4P327 A331P327-S329 PolarHBondContact O-N 3.31Å; S329-A331 PolarHBondContact O-N 2.67Å; S329-A331 VanDerWaalsContact O-N 3.12Å; S329-A331 WeakPolarHBondContact OG-CB 3.47Å
330L50.6Low43.6Very low17 Ų1786 Ų869%0.08951%0.51CS..  trans-74.718.4171.1-89.9160.5000113A328 V332 V595 G598 V599 L601 L755A328-L330 PolarHBondContact O-N 3.05Å; L330-V332 PolarHBondContact O-N 3.3Å; L330-V595 HydrophobicContact CD1-CG2 4.49Å; L330-V595 HydrophobicContact CD2-CB 4.23Å; L330-V595 HydrophobicContact CD2-CG1 3.71Å; L330-V595 HydrophobicContact CD2-CG2 4.2Å; L330-G598 WeakPolarHBondContact O-CA 3.28Å; L330-V599 WeakPolarHBondContact CB-O 3.45Å; L330-V599 WeakPolarHBondContact CD1-O 3.4Å; L330-L601 HydrophobicContact CD1-CB 4.45Å; L330-L755 HydrophobicContact CD1-CD1 4.35Å; L330-L755 HydrophobicContact CD2-CD2 3.72Å; L330-L755 HydrophobicContact CG-CD1 4.47Å; L330-L755 HydrophobicContact CG-CD2 3.86Å
331A34.8Very low46.4Very low71 Ų7179.6 Ų79.659%0.58748%0.478SS*.  trans-69.789.9-168.400000113.8S329S329-A331 PolarHBondContact O-N 2.67Å; S329-A331 VanDerWaalsContact O-N 3.12Å; S329-A331 WeakPolarHBondContact OG-CB 3.47Å
332V40.8Very low49.4Very low42 Ų4270.3 Ų70.326%0.25544%0.443SS..PPolyproline II helixtrans-90.1139.6158.8-162.60000108L330 P334 T569 V573L330-V332 PolarHBondContact O-N 3.3Å; V332-P334 WeakPolarHBondContact O-CD 3.3Å; V332-T569 HydrophobicContact CB-CG2 4.4Å; V332-T569 HydrophobicContact CG1-CG2 3.96Å; V332-T569 HydrophobicContact CG2-CG2 3.48Å; V332-T569 VanDerWaalsContact CG2-CG2 3.48Å; V332-V573 HydrophobicContact CG1-CG2 4.41Å
333V37.4Very low52.2Low117 Ų11767.5 Ų67.571%0.70942%0.424SS*.PPolyproline II helixtrans-66.1116.8166.8178.90000107.5
334P43.9Very low54.9Low39 Ų3966.1 Ų66.125%0.25341%0.412SS..PPolyproline II helixtrans-64.6142.6-179.6-19.733000110.2V332 S336V332-P334 WeakPolarHBondContact O-CD 3.3Å; P334-S336 WeakPolarHBondContact O-CB 3.4Å; P334-S336 PolarHBondContact O-N 3.17Å; P334-S336 PolarHBondContact O-OG 3.29Å
335F47.8Very low57.5Low104 Ų10463 Ų6346%0.45640%0.396SS..  trans-63.2103.9171.9-82.8-77.2000109.8V573 L577F335-V573 HydrophobicContact CE2-CB 4.38Å; F335-V573 HydrophobicContact CE2-CG1 3.86Å; F335-V573 HydrophobicContact CE2-CG2 4.23Å; F335-V573 HydrophobicContact CZ-CG1 4.04Å; F335-L577 HydrophobicContact CD2-CD1 3.9Å; F335-L577 HydrophobicContact CE2-CB 4.48Å; F335-L577 HydrophobicContact CE2-CD1 3.58Å; F335-L577 HydrophobicContact CZ-CD1 4.5Å
336S48Very low59.6Low62 Ų6261.9 Ų61.943%0.43440%0.4SS..  trans-12254.1-151.435.70000114.8P334 P723P334-S336 WeakPolarHBondContact O-CB 3.4Å; P334-S336 PolarHBondContact O-N 3.17Å; P334-S336 PolarHBondContact O-OG 3.29Å; S336-P723 VanDerWaalsContact CB-CB 3.46Å
337A44.2Very low62.1Low76 Ų7657.3 Ų57.363%0.62837%0.368SS*.SBendtrans-154.1126.216200000112R352A337-R352 PolarHBondContact O-NH1 3.42Å
338G60.1Low64.3Low63 Ų6353.6 Ų53.665%0.64934%0.344SS*.SBendtrans61.176.7164.400000116.6
339G72.6Confident66.5Low37 Ų3753.6 Ų53.638%0.38134%0.343SS..  trans-156.2158.3171.600000112.7
340I84.1Confident68.9Low75 Ų7551.1 Ų51.139%0.38532%0.322SS..EExtended strand (participates in β ladder)trans-105.6127.2-176.8-54171000109.5Y342 W350 S351 A354I340-Y342 HydrophobicContact CB-CE2 4.18Å; I340-Y342 HydrophobicContact CG2-CE1 4.03Å; I340-Y342 HydrophobicContact CG2-CE2 3.97Å; I340-Y342 WeakPolarHBondContact CG2-OH 3.37Å; I340-W350 WeakPolarHBondContact O-CA 3.48Å; I340-S351 PolarHBondContact N-O 2.81Å; I340-S351 PolarHBondContact O-N 3.02Å; I340-S351 VanDerWaalsContact O-N 3.13Å; I340-A354 HydrophobicContact CD1-CB 4.16Å
341T86.5Confident70.8Confident20 Ų2050.3 Ų50.312%0.12332%0.318CS..EExtended strand (participates in β ladder)trans-104.4119.1177.8-530000112.6L348 G349 L720 K721T341-L348 HydrophobicContact CG2-CD1 3.59Å; T341-L348 HydrophobicContact CG2-CG 4.38Å; T341-G349 CarbonylContact C-O 3.35Å; T341-G349 VanDerWaalsContact CA-O 3.31Å; T341-G349 WeakPolarHBondContact CA-O 3.31Å; T341-L720 WeakPolarHBondContact CG2-O 3.41Å; T341-L720 PolarHBondContact OG1-O 3.1Å; T341-L720 VanDerWaalsContact OG1-O 3.05Å; T341-K721 HydrophobicContact CG2-CG 3.97Å; T341-K721 WeakPolarHBondContact O-CE 3.48Å; T341-K721 PolarHBondContact O-NZ 2.87Å
342Y87.2Confident73.1Confident31 Ų3152.9 Ų52.912%0.12231%0.312CS..EExtended strand (participates in β ladder)trans-93.2144.9174.8-54.7-81.3000110.7I340 L348 G349 A354 V355 F391I340-Y342 HydrophobicContact CB-CE2 4.18Å; I340-Y342 HydrophobicContact CG2-CE1 4.03Å; I340-Y342 HydrophobicContact CG2-CE2 3.97Å; I340-Y342 WeakPolarHBondContact CG2-OH 3.37Å; Y342-L348 WeakPolarHBondContact O-CA 3.27Å; Y342-G349 PolarHBondContact N-O 2.97Å; Y342-G349 PolarHBondContact O-N 2.85Å; Y342-A354 WeakPolarHBondContact OH-CA 3.49Å; Y342-V355 WeakPolarHBondContact CE1-O 3.21Å; Y342-V355 HydrophobicContact CE2-CB 4.33Å; Y342-V355 PolarHBondContact OH-N 2.88Å; Y342-F391 HydrophobicContact CD1-CE1 4.08Å; Y342-F391 HydrophobicContact CG-CD1 4.36Å; Y342-F391 AromaticContact CG-CE1 3.96Å; Y342-F391 HydrophobicContact CG-CE1 3.96Å
343N84.7Confident75.2Confident56 Ų5653.5 Ų53.530%0.29931%0.312SS..  trans-145.438.4175.269.2-34.5000112.4V347 Y717 K721N343-V347 CarbonylContact C-O 3.56Å; N343-V347 VanDerWaalsContact CA-O 3.31Å; N343-V347 WeakPolarHBondContact CA-O 3.47Å; N343-Y717 HydrophobicContact CB-CD2 3.92Å; N343-Y717 HydrophobicContact CB-CG 4.26Å; N343-K721 VanDerWaalsContact CG-CE 3.42Å; N343-K721 WeakPolarHBondContact OD1-CE 3.21Å; N343-K721 PolarHBondContact OD1-NZ 2.98Å
344N84.8Confident77.6Confident77 Ų7751.8 Ų51.841%0.41231%0.311SS..  trans-100.2153-176.3-56.311.2000110.5G346 V347 F391N344-G346 PolarHBondContact O-N 2.83Å; N344-V347 PolarHBondContact O-N 2.84Å; N344-F391 HydrophobicContact CB-CZ 4.13Å
345Y86.7Confident79.8Confident117 Ų11750.4 Ų50.446%0.45930%0.301SS..THydrogen-bonded Turntrans59.423.4177.7-41.8-66.9000115.3V347 P357 A387 R390 F391Y345-V347 VanDerWaalsContact C-N 3.32Å; Y345-P357 HydrophobicContact CE2-CB 4.08Å; Y345-P357 HydrophobicContact CE2-CG 4.02Å; Y345-A387 WeakPolarHBondContact O-CB 3.34Å; Y345-R390 VanDerWaalsContact CD1-NH1 3.3Å; Y345-F391 HydrophobicContact CD2-CE2 4.15Å; Y345-F391 HydrophobicContact CD2-CZ 4.17Å
346G85.8Confident81.9Confident39 Ų3951.1 Ų51.140%0.40231%0.314SS..THydrogen-bonded Turntrans87.5-9.8-179.800000115.2N344 Y717N344-G346 PolarHBondContact O-N 2.83Å; G346-Y717 VanDerWaalsContact O-CE2 3.3Å; G346-Y717 WeakPolarHBondContact O-CE2 3.27Å; G346-Y717 PolarHBondContact O-OH 2.85Å
347V90.8Very high84Confident0 Ų049.8 Ų49.80%030%0.304CS..  trans-96.1132.5-179162.90000111N343 N344 Y345 A387 V388 F391 L586 F587 D588N343-V347 CarbonylContact C-O 3.56Å; N343-V347 VanDerWaalsContact CA-O 3.31Å; N343-V347 WeakPolarHBondContact CA-O 3.47Å; N344-V347 PolarHBondContact O-N 2.84Å; Y345-V347 VanDerWaalsContact C-N 3.32Å; V347-A387 HydrophobicContact CB-CB 4.49Å; V347-A387 HydrophobicContact CG2-CB 3.48Å; V347-A387 VanDerWaalsContact CG2-CB 3.48Å; V347-V388 HydrophobicContact CG1-CG1 4.23Å; V347-V388 HydrophobicContact CG2-CG1 3.6Å; V347-F391 HydrophobicContact CB-CE2 4.17Å; V347-F391 HydrophobicContact CG1-CD2 4.13Å; V347-F391 HydrophobicContact CG1-CE2 4.09Å; V347-L586 HydrophobicContact CG1-CB 4.41Å; V347-L586 HydrophobicContact CG1-CD2 4Å; V347-F587 VanDerWaalsContact CA-O 3.32Å; V347-F587 WeakPolarHBondContact CA-O 3.28Å; V347-D588 HydrophobicContact CG2-CB 4.45Å
348L92.6Very high86.3Confident2 Ų246.4 Ų46.41%0.0128%0.275CS..EExtended strand (participates in β ladder)trans-82.8128.2160.5-17480.7000108.7T341 Y342 L586 F587 A593 Y596 Y717 L720T341-L348 HydrophobicContact CG2-CD1 3.59Å; T341-L348 HydrophobicContact CG2-CG 4.38Å; Y342-L348 WeakPolarHBondContact O-CA 3.27Å; L348-L586 WeakPolarHBondContact O-CA 3.5Å; L348-F587 HydrophobicContact CB-CB 4.32Å; L348-F587 HydrophobicContact CD2-CD2 4.08Å; L348-F587 PolarHBondContact N-O 3.11Å; L348-F587 PolarHBondContact O-N 3.12Å; L348-A593 HydrophobicContact CB-CB 4.37Å; L348-A593 HydrophobicContact CD2-CB 3.91Å; L348-Y596 HydrophobicContact CD2-CD1 4.44Å; L348-Y717 HydrophobicContact CB-CD1 3.98Å; L348-Y717 HydrophobicContact CB-CE1 3.72Å; L348-Y717 HydrophobicContact CB-CE2 4.36Å; L348-Y717 HydrophobicContact CB-CG 4.39Å; L348-Y717 HydrophobicContact CD1-CD1 3.95Å; L348-Y717 HydrophobicContact CD1-CG 3.99Å; L348-Y717 HydrophobicContact CG-CD1 4.4Å; L348-L720 HydrophobicContact CD1-CB 4.14Å; L348-L720 HydrophobicContact CD1-CD1 4.24Å; L348-L720 HydrophobicContact CD2-CB 4.27Å; L348-L720 HydrophobicContact CD2-CD1 3.51Å; L348-L720 HydrophobicContact CD2-CG 4.45Å
349G92.6Very high87.6Confident0 Ų048.7 Ų48.70%027%0.265CS..EExtended strand (participates in β ladder)trans-123.7146171.100000111.7T341 Y342 V585T341-G349 CarbonylContact C-O 3.35Å; T341-G349 VanDerWaalsContact CA-O 3.31Å; T341-G349 WeakPolarHBondContact CA-O 3.31Å; Y342-G349 PolarHBondContact N-O 2.97Å; Y342-G349 PolarHBondContact O-N 2.85Å; G349-V585 CarbonylContact C-O 3.58Å; G349-V585 VanDerWaalsContact CA-O 3.27Å; G349-V585 WeakPolarHBondContact CA-O 3.48Å
350W91.4Very high88.3Confident29 Ų2947.3 Ų47.311%0.1125%0.251CS..EExtended strand (participates in β ladder)trans-134.2132.9170.6-179.892000110.4I340 R352 V583 L584 V585I340-W350 WeakPolarHBondContact O-CA 3.48Å; W350-R352 HydrophobicContact CH2-CG 4Å; W350-V583 HydrophobicContact CE3-CG1 4.48Å; W350-V583 HydrophobicContact CZ3-CG1 3.93Å; W350-L584 CarbonylContact O-C 3.34Å; W350-L584 WeakPolarHBondContact O-CA 3.45Å; W350-V585 HydrophobicContact CE3-CG2 4.24Å; W350-V585 PolarHBondContact N-O 3.16Å; W350-V585 PolarHBondContact O-N 3.26Å
351S90.3Very high88.2Confident0 Ų044.2 Ų44.20%024%0.235CC..EExtended strand (participates in β ladder)trans-152.5148.5178.31630000110.6I340 H353I340-S351 PolarHBondContact N-O 2.81Å; I340-S351 PolarHBondContact O-N 3.02Å; I340-S351 VanDerWaalsContact O-N 3.13Å; S351-H353 WeakPolarHBondContact CB-O 3.4Å; S351-H353 PolarHBondContact O-N 3.16Å; S351-H353 PolarHBondContact OG-N 2.87Å; S351-H353 PolarHBondContact OG-O 2.91Å
352R83.4Confident88.1Confident125 Ų12548.5 Ų48.547%0.47226%0.262SS..SBendtrans-66.5-28.9168.1-62.2-171.4-175.3-77.44.3112.7A337 W350 P581A337-R352 PolarHBondContact O-NH1 3.42Å; W350-R352 HydrophobicContact CH2-CG 4Å; R352-P581 WeakPolarHBondContact CD-O 3.3Å; R352-P581 PolarHBondContact NE-O 2.95Å
353H84.4Confident88Confident54 Ų5451.9 Ų51.925%0.2528%0.278CS..SBendtrans-102.4149.2-174.7-63.6-93.1000111.7S351 V355 K400 D582S351-H353 WeakPolarHBondContact CB-O 3.4Å; S351-H353 PolarHBondContact O-N 3.16Å; S351-H353 PolarHBondContact OG-N 2.87Å; S351-H353 PolarHBondContact OG-O 2.91Å; H353-V355 PolarHBondContact O-N 3.42Å; H353-K400 PolarHBondContact CE1-NZ 2.94Å; H353-K400 PolarHBondContact ND1-NZ 2.87Å; H353-D582 IonicContact CD2-OD1 3.22Å; H353-D582 IonicContact CE1-OD1 3.74Å; H353-D582 IonicContact NE2-OD1 3.62Å; H353-D582 PolarHBondContact NE2-OD1 2.83Å
354A88.4Confident87.9Confident82 Ų8249.2 Ų49.268%0.67826%0.264SS*.  trans-65.5119.3171.700000111.2I340 Y342I340-A354 HydrophobicContact CD1-CB 4.16Å; Y342-A354 WeakPolarHBondContact OH-CA 3.49Å
355V90.3Very high87.6Confident10 Ų1047.9 Ų47.96%0.06126%0.26CS..  trans-109.3119.9173-177.70000109.2Y342 H353 F391 P394 H395 L584Y342-V355 WeakPolarHBondContact CE1-O 3.21Å; Y342-V355 HydrophobicContact CE2-CB 4.33Å; Y342-V355 PolarHBondContact OH-N 2.88Å; H353-V355 PolarHBondContact O-N 3.42Å; V355-F391 HydrophobicContact CG1-CB 4.25Å; V355-F391 HydrophobicContact CG1-CD1 4.35Å; V355-F391 WeakPolarHBondContact CG1-O 3.36Å; V355-P394 HydrophobicContact CG1-CG 4.26Å; V355-H395 HydrophobicContact CG1-CB 4.44Å; V355-H395 HydrophobicContact CG2-CB 4.22Å; V355-L584 HydrophobicContact CG1-CD2 4.49Å; V355-L584 HydrophobicContact CG2-CD1 4.27Å; V355-L584 HydrophobicContact CG2-CD2 4.35Å
356V90.8Very high87.5Confident118 Ų11847 Ų4772%0.71526%0.263SS*.PPolyproline II helixtrans-91.7119.5170.9-179.20000108P394V356-P394 VanDerWaalsContact O-CG 3.28Å; V356-P394 WeakPolarHBondContact O-CG 3.42Å
357P92.4Very high87.6Confident34 Ų3445.3 Ų45.322%0.22125%0.245CC..PPolyproline II helixtrans-78.3134-176.929.1-33000112.5Y345 R390 F391Y345-P357 HydrophobicContact CE2-CB 4.08Å; Y345-P357 HydrophobicContact CE2-CG 4.02Å; P357-R390 CarbonylContact C-O 3.59Å; P357-R390 WeakPolarHBondContact CA-O 3.36Å; P357-R390 HydrophobicContact CB-CB 4.13Å; P357-F391 HydrophobicContact CB-CD1 3.84Å; P357-F391 HydrophobicContact CB-CE1 3.8Å; P357-F391 HydrophobicContact CB-CG 4.33Å; P357-F391 HydrophobicContact CB-CZ 4.27Å; P357-F391 HydrophobicContact CG-CD1 4.4Å; P357-F391 HydrophobicContact CG-CE1 3.98Å
358C91.8Very high87.6Confident5 Ų546.8 Ų46.83%0.03426%0.255CS..PPolyproline II helixtrans-84.6141.1172.162.20000111.6E363 R390C358-E363 HydrophobicContact CB-CB 3.69Å; C358-R390 PolarHBondContact N-O 2.89Å; C358-R390 WeakPolarHBondContact O-CA 3.34Å; C358-R390 VanDerWaalsContact O-CB 3.23Å; C358-R390 WeakPolarHBondContact O-CB 3.34Å; C358-R390 WeakPolarHBondContact O-CG 3.39Å; C358-R390 PolarHBondContact SG-O 2.6Å; C358-R390 VanDerWaalsContact SG-O 3.42Å
359Y88.4Confident87.5Confident112 Ų11251.8 Ų51.844%0.43929%0.286SS..SBendtrans-79.2-34.1176.1-173.2-92.6000112.9E363 R384 A385 R390Y359-E363 VanDerWaalsContact CB-OE2 3.27Å; Y359-E363 WeakPolarHBondContact CB-OE2 3.48Å; Y359-E363 PolarHBondContact N-OE2 3.45Å; Y359-R384 HydrophobicContact CE1-CB 4Å; Y359-A385 WeakPolarHBondContact O-CB 3.19Å; Y359-A385 PolarHBondContact O-N 3.17Å; Y359-R390 PolarHBondContact O-NH2 2.98Å; Y359-R390 VanDerWaalsContact O-NH2 3.16Å
360G86.1Confident87.4Confident8 Ų854.7 Ų54.78%0.08230%0.301CS..SBendtrans-148.5-179.5-179.100000114.2T362 E363 A364G360-T362 PolarHBondContact O-N 3.38Å; G360-E363 PolarHBondContact O-N 3.04Å; G360-A364 PolarHBondContact O-N 3.2Å
361L83.8Confident87.5Confident9 Ų953.3 Ų53.35%0.04730%0.295CS..THydrogen-bonded Turntrans-63.4-20.6-179-80.7170.3000114.3R372 M375 Q376 A381 W393L361-R372 HydrophobicContact CB-CG 4.43Å; L361-R372 WeakPolarHBondContact O-CD 3.5Å; L361-R372 PolarHBondContact O-NE 2.75Å; L361-R372 PolarHBondContact O-NH1 2.75Å; L361-M375 HydrophobicContact CD1-CB 4.04Å; L361-M375 HydrophobicContact CD1-CE 4.49Å; L361-M375 HydrophobicContact CD2-CE 3.7Å; L361-M375 HydrophobicContact CD2-SD 3.67Å; L361-Q376 HydrophobicContact CD1-CG 4.35Å; L361-A381 HydrophobicContact CD1-CB 4.02Å; L361-A381 HydrophobicContact CG-CB 4.08Å; L361-W393 HydrophobicContact CD2-CE3 4.13Å; L361-W393 HydrophobicContact CD2-CH2 3.54Å; L361-W393 HydrophobicContact CD2-CZ2 4.21Å; L361-W393 HydrophobicContact CD2-CZ3 3.49Å; L361-W393 VanDerWaalsContact CD2-CZ3 3.49Å; L361-W393 HydrophobicContact CG-CH2 3.9Å; L361-W393 HydrophobicContact CG-CZ3 3.81Å
362T83.1Confident87.5Confident111 Ų11155.8 Ų55.868%0.68131%0.305SS*.THydrogen-bonded Turntrans-65.3-41174.4380000112.3G360 R372G360-T362 PolarHBondContact O-N 3.38Å; T362-R372 VanDerWaalsContact C-NH1 3.34Å; T362-R372 PolarHBondContact O-NH1 3.43Å
363E84.8Confident87.8Confident101 Ų10157 Ų5747%0.47231%0.31SS..THydrogen-bonded Turntrans-91.3-7.8-174.2-68152.2-120.500113.7C358 Y359 G360 P365C358-E363 HydrophobicContact CB-CB 3.69Å; Y359-E363 VanDerWaalsContact CB-OE2 3.27Å; Y359-E363 WeakPolarHBondContact CB-OE2 3.48Å; Y359-E363 PolarHBondContact N-OE2 3.45Å; G360-E363 PolarHBondContact O-N 3.04Å; E363-P365 WeakPolarHBondContact O-CD 3.26Å
364A84Confident88.1Confident1 Ų154.4 Ų54.41%0.00830%0.298CS..  trans-70117.1176.600000110G360 I367 R372 W393G360-A364 PolarHBondContact O-N 3.2Å; A364-I367 HydrophobicContact CB-CD1 3.83Å; A364-I367 HydrophobicContact CB-CG1 4.25Å; A364-R372 PolarHBondContact O-NH2 3.39Å; A364-W393 HydrophobicContact CB-CB 4.22Å; A364-W393 HydrophobicContact CB-CE3 4.07Å
365P78.2Confident88.2Confident49 Ų4950.5 Ų50.532%0.31827%0.265SS..THydrogen-bonded Turntrans-69.7150.817929.3-33.4000110.8E363 I367 P394 S397E363-P365 WeakPolarHBondContact O-CD 3.26Å; P365-I367 PolarHBondContact O-N 3.06Å; P365-P394 HydrophobicContact CG-CB 3.78Å; P365-S397 WeakPolarHBondContact O-CB 3.47Å; P365-S397 PolarHBondContact O-OG 3.42Å
366D84.3Confident88.2Confident98 Ų9855 Ų5552%0.52429%0.286SS..THydrogen-bonded Turntrans58.6-0.3173.2-46.4-33.7000117.6S368 Q422D366-S368 PolarHBondContact O-N 2.91Å; D366-Q422 PolarHBondContact O-NE2 2.87Å
367I88.6Confident88Confident3 Ų355 Ų552%0.01528%0.278CS..  trans-77.4119.2164.1-54.6-173.6000108.7A364 P365 I371 R372 W393A364-I367 HydrophobicContact CB-CD1 3.83Å; A364-I367 HydrophobicContact CB-CG1 4.25Å; P365-I367 PolarHBondContact O-N 3.06Å; I367-I371 HydrophobicContact CG2-CB 4.09Å; I367-I371 HydrophobicContact CG2-CG2 3.58Å; I367-R372 HydrophobicContact CG2-CG 4.05Å; I367-R372 PolarHBondContact O-NE 3.5Å; I367-R372 PolarHBondContact O-NH2 3.26Å; I367-W393 HydrophobicContact CD1-CB 4.14Å; I367-W393 HydrophobicContact CD1-CD2 4.3Å; I367-W393 HydrophobicContact CD1-CG 4.03Å
368S90.4Very high87.8Confident32 Ų3256 Ų5622%0.22428%0.28CS..  trans-65154.5-178.563.60000113.6D366 I370 I371 R372 Q422D366-S368 PolarHBondContact O-N 2.91Å; S368-I370 PolarHBondContact O-N 3.42Å; S368-I371 PolarHBondContact O-N 3.16Å; S368-I371 WeakPolarHBondContact OG-CB 3.36Å; S368-I371 WeakPolarHBondContact OG-CG1 3.4Å; S368-I371 PolarHBondContact OG-N 2.86Å; S368-R372 VanDerWaalsContact O-CG 3.3Å; S368-R372 WeakPolarHBondContact O-CG 3.29Å; S368-R372 PolarHBondContact O-N 3.41Å; S368-Q422 VanDerWaalsContact CB-OE1 3.24Å; S368-Q422 PolarHBondContact OG-OE1 3.06Å
369T89.9Confident87.5Confident107 Ų10757.3 Ų57.366%0.65630%0.295SS*.Hα-helixtrans-60.2-32.7176.2500000112.9R373T369-R373 PolarHBondContact O-N 3.18Å
370I91.3Very high87.3Confident60 Ų6052.9 Ų52.931%0.30828%0.279SS..Hα-helixtrans-64.4-50.5175.7-60.1176.9000110.6S368 R372 R373 A374 L463 L464S368-I370 PolarHBondContact O-N 3.42Å; I370-R372 PolarHBondContact O-N 3.13Å; I370-R373 WeakPolarHBondContact O-CB 3.46Å; I370-R373 PolarHBondContact O-N 3.06Å; I370-R373 VanDerWaalsContact O-N 3.16Å; I370-A374 PolarHBondContact O-N 3.38Å; I370-L463 VanDerWaalsContact CG2-C 3.45Å; I370-L463 HydrophobicContact CG2-CB 3.59Å; I370-L463 WeakPolarHBondContact CG2-O 3.36Å; I370-L464 HydrophobicContact CB-CD2 4.07Å; I370-L464 HydrophobicContact CD1-CD2 4.25Å; I370-L464 HydrophobicContact CG2-CD2 3.84Å; I370-L464 HydrophobicContact CG2-CG 4.29Å
371I92.6Very high87Confident0 Ų053.5 Ų53.50%028%0.283CS..Hα-helixtrans-64.8-39.5177.8-71.7-76.1000111.2I367 S368 R373 A374 M375 P418 Q422 L460 L464I367-I371 HydrophobicContact CG2-CB 4.09Å; I367-I371 HydrophobicContact CG2-CG2 3.58Å; S368-I371 PolarHBondContact O-N 3.16Å; S368-I371 WeakPolarHBondContact OG-CB 3.36Å; S368-I371 WeakPolarHBondContact OG-CG1 3.4Å; S368-I371 PolarHBondContact OG-N 2.86Å; I371-R373 VanDerWaalsContact C-N 3.29Å; I371-R373 PolarHBondContact O-N 3.43Å; I371-A374 PolarHBondContact O-N 3.23Å; I371-M375 HydrophobicContact CG2-CG 4.39Å; I371-M375 HydrophobicContact CG2-SD 4.06Å; I371-M375 WeakPolarHBondContact O-CB 3.43Å; I371-M375 VanDerWaalsContact O-CG 3.27Å; I371-M375 WeakPolarHBondContact O-CG 3.43Å; I371-M375 PolarHBondContact O-N 3.41Å; I371-P418 HydrophobicContact CG2-CB 3.68Å; I371-Q422 HydrophobicContact CD1-CB 4.47Å; I371-Q422 HydrophobicContact CG1-CB 4.08Å; I371-Q422 HydrophobicContact CG1-CG 4.2Å; I371-L460 HydrophobicContact CD1-CB 3.94Å; I371-L460 HydrophobicContact CD1-CD2 3.99Å; I371-L460 WeakPolarHBondContact CD1-O 3.47Å; I371-L460 HydrophobicContact CG2-CD2 4.22Å; I371-L464 HydrophobicContact CD1-CD1 4.13Å; I371-L464 HydrophobicContact CD1-CG 4.45Å; I371-L464 HydrophobicContact CG1-CD1 4.46Å; I371-L464 HydrophobicContact CG1-CD2 4.34Å
372R90.8Very high86.5Confident53 Ų5362.3 Ų62.320%0.232%0.316CS..Hα-helixtrans-56.4-42.8172.6-66.7171.8-155.6-143.1-4.5111.5L361 T362 A364 I367 S368 I370 M375 Q376L361-R372 HydrophobicContact CB-CG 4.43Å; L361-R372 WeakPolarHBondContact O-CD 3.5Å; L361-R372 PolarHBondContact O-NE 2.75Å; L361-R372 PolarHBondContact O-NH1 2.75Å; T362-R372 VanDerWaalsContact C-NH1 3.34Å; T362-R372 PolarHBondContact O-NH1 3.43Å; A364-R372 PolarHBondContact O-NH2 3.39Å; I367-R372 HydrophobicContact CG2-CG 4.05Å; I367-R372 PolarHBondContact O-NE 3.5Å; I367-R372 PolarHBondContact O-NH2 3.26Å; S368-R372 VanDerWaalsContact O-CG 3.3Å; S368-R372 WeakPolarHBondContact O-CG 3.29Å; S368-R372 PolarHBondContact O-N 3.41Å; I370-R372 PolarHBondContact O-N 3.13Å; R372-M375 PolarHBondContact O-N 2.86Å; R372-Q376 VanDerWaalsContact O-CG 3.29Å; R372-Q376 WeakPolarHBondContact O-CG 3.33Å; R372-Q376 PolarHBondContact O-N 3.47Å
373R88.9Confident86.1Confident150 Ų15062.2 Ų62.257%0.56632%0.32SS*.Hα-helixtrans-64.9-45.8177-173.9-177.3-69.3154-3.8112.2T369 I370 I371 M375 Q376 Q377 L463T369-R373 PolarHBondContact O-N 3.18Å; I370-R373 WeakPolarHBondContact O-CB 3.46Å; I370-R373 PolarHBondContact O-N 3.06Å; I370-R373 VanDerWaalsContact O-N 3.16Å; I371-R373 VanDerWaalsContact C-N 3.29Å; I371-R373 PolarHBondContact O-N 3.43Å; R373-M375 VanDerWaalsContact C-N 3.33Å; R373-M375 PolarHBondContact O-N 2.7Å; R373-Q376 PolarHBondContact O-N 3.07Å; R373-Q377 WeakPolarHBondContact O-CG 3.36Å; R373-Q377 PolarHBondContact O-N 2.79Å; R373-L463 HydrophobicContact CG-CD1 4.47Å
374A91.1Very high86.2Confident0 Ų064.7 Ų64.70%033%0.325CS..Hα-helixtrans-58.7-44.217500000111.7I370 I371 Q376 Q377 M378 L460 L463I370-A374 PolarHBondContact O-N 3.38Å; I371-A374 PolarHBondContact O-N 3.23Å; A374-Q376 PolarHBondContact O-N 3.29Å; A374-Q377 PolarHBondContact O-N 2.9Å; A374-M378 HydrophobicContact CB-CE 4.18Å; A374-M378 WeakPolarHBondContact O-CE 3.11Å; A374-M378 PolarHBondContact O-N 2.86Å; A374-M378 VanDerWaalsContact O-N 3.1Å; A374-L460 HydrophobicContact CB-CD2 4.06Å; A374-L463 HydrophobicContact CB-CD1 3.81Å; A374-L463 HydrophobicContact CB-CG 4.28Å
375M91.7Very high86.5Confident0 Ų064.7 Ų64.70%033%0.325CS..Hα-helixtrans-60.7-44.2176.1-71.8-179.477.200112.5L361 I371 R372 R373 M378 G379 V380 W393 W414 P418 L460L361-M375 HydrophobicContact CD1-CB 4.04Å; L361-M375 HydrophobicContact CD1-CE 4.49Å; L361-M375 HydrophobicContact CD2-CE 3.7Å; L361-M375 HydrophobicContact CD2-SD 3.67Å; I371-M375 HydrophobicContact CG2-CG 4.39Å; I371-M375 HydrophobicContact CG2-SD 4.06Å; I371-M375 WeakPolarHBondContact O-CB 3.43Å; I371-M375 VanDerWaalsContact O-CG 3.27Å; I371-M375 WeakPolarHBondContact O-CG 3.43Å; I371-M375 PolarHBondContact O-N 3.41Å; R372-M375 PolarHBondContact O-N 2.86Å; R373-M375 VanDerWaalsContact C-N 3.33Å; R373-M375 PolarHBondContact O-N 2.7Å; M375-M378 CarbonylContact O-C 3.52Å; M375-M378 PolarHBondContact O-N 3.47Å; M375-G379 PolarHBondContact O-N 3.01Å; M375-V380 HydrophobicContact CB-CB 4.17Å; M375-V380 HydrophobicContact CE-CB 4.25Å; M375-V380 HydrophobicContact CE-CG1 3.6Å; M375-V380 WeakPolarHBondContact O-CB 3.5Å; M375-V380 PolarHBondContact O-N 3.33Å; M375-W393 HydrophobicContact CE-CH2 4.02Å; M375-W393 HydrophobicContact CE-CZ2 3.54Å; M375-W414 HydrophobicContact CE-CE3 4.09Å; M375-W414 HydrophobicContact CE-CZ3 4.36Å; M375-W414 HydrophobicContact CG-CZ3 4.09Å; M375-P418 HydrophobicContact CE-CB 4.26Å; M375-P418 HydrophobicContact CE-CG 3.46Å; M375-P418 VanDerWaalsContact CE-CG 3.46Å; M375-P418 HydrophobicContact CG-CG 4.37Å; M375-P418 HydrophobicContact SD-CB 3.55Å; M375-P418 VanDerWaalsContact SD-CB 3.55Å; M375-P418 HydrophobicContact SD-CG 3.43Å; M375-P418 WeakPolarHBondContact SD-CG 3.33Å; M375-L460 HydrophobicContact CG-CD2 3.94Å
376Q88.5Confident87.1Confident104 Ų10468.6 Ų68.649%0.48633%0.333SS..Hα-helixtrans-62.8-41.8177.1-74.6168.4-3000112.5L361 R372 R373 A374 M378 G379L361-Q376 HydrophobicContact CD1-CG 4.35Å; R372-Q376 VanDerWaalsContact O-CG 3.29Å; R372-Q376 WeakPolarHBondContact O-CG 3.33Å; R372-Q376 PolarHBondContact O-N 3.47Å; R373-Q376 PolarHBondContact O-N 3.07Å; A374-Q376 PolarHBondContact O-N 3.29Å; Q376-M378 PolarHBondContact O-N 2.98Å; Q376-G379 WeakPolarHBondContact O-CA 3.38Å; Q376-G379 PolarHBondContact O-N 3.07Å
377Q87.6Confident87.4Confident118 Ų11865.1 Ų65.155%0.55132%0.318SS*.Hα-helixtrans-59.5-44.7174.6-73.6174.2-17.900111.5R373 A374 G379R373-Q377 WeakPolarHBondContact O-CG 3.36Å; R373-Q377 PolarHBondContact O-N 2.79Å; A374-Q377 PolarHBondContact O-N 2.9Å; Q377-G379 PolarHBondContact O-N 2.97Å; Q377-G379 VanDerWaalsContact O-N 3.12Å
378M87.9Confident87.7Confident54 Ų5465 Ų6527%0.26632%0.317SS..THydrogen-bonded Turntrans-72.15.2173-71.6179.1-79.200114.5A374 M375 Q376 V380 W414 T459 L460A374-M378 HydrophobicContact CB-CE 4.18Å; A374-M378 WeakPolarHBondContact O-CE 3.11Å; A374-M378 PolarHBondContact O-N 2.86Å; A374-M378 VanDerWaalsContact O-N 3.1Å; M375-M378 CarbonylContact O-C 3.52Å; M375-M378 PolarHBondContact O-N 3.47Å; Q376-M378 PolarHBondContact O-N 2.98Å; M378-V380 HydrophobicContact CB-CG2 4.17Å; M378-V380 PolarHBondContact O-N 3.27Å; M378-W414 HydrophobicContact CE-CH2 3.7Å; M378-W414 HydrophobicContact CE-CZ3 4.45Å; M378-W414 HydrophobicContact SD-CH2 3.78Å; M378-W414 HydrophobicContact SD-CZ2 4.13Å; M378-T459 HydrophobicContact CE-CG2 3.75Å; M378-T459 HydrophobicContact CG-CG2 3.9Å; M378-T459 HydrophobicContact SD-CG2 3.72Å; M378-L460 HydrophobicContact CE-CD2 3.78Å; M378-L460 HydrophobicContact CE-CG 3.93Å
379G85.5Confident87.9Confident33 Ų3363.5 Ų63.534%0.3431%0.307SS..THydrogen-bonded Turntrans74.67.7178.900000115.2M375 Q376 Q377 A381M375-G379 PolarHBondContact O-N 3.01Å; Q376-G379 WeakPolarHBondContact O-CA 3.38Å; Q376-G379 PolarHBondContact O-N 3.07Å; Q377-G379 PolarHBondContact O-N 2.97Å; Q377-G379 VanDerWaalsContact O-N 3.12Å; G379-A381 PolarHBondContact O-N 3.45Å
380V85.2Confident88Confident20 Ų2059 Ų5912%0.12128%0.278CS..THydrogen-bonded Turntrans-74.8122.6-179.3-172.60000109.5M375 M378 R382 W414M375-V380 HydrophobicContact CB-CB 4.17Å; M375-V380 HydrophobicContact CE-CB 4.25Å; M375-V380 HydrophobicContact CE-CG1 3.6Å; M375-V380 WeakPolarHBondContact O-CB 3.5Å; M375-V380 PolarHBondContact O-N 3.33Å; M378-V380 HydrophobicContact CB-CG2 4.17Å; M378-V380 PolarHBondContact O-N 3.27Å; V380-R382 VanDerWaalsContact C-N 3.3Å; V380-R382 PolarHBondContact O-N 2.95Å; V380-W414 HydrophobicContact CG1-CD2 4.26Å; V380-W414 HydrophobicContact CG1-CE3 4.15Å; V380-W414 HydrophobicContact CG2-CD2 3.94Å; V380-W414 HydrophobicContact CG2-CE3 4.04Å; V380-W414 HydrophobicContact CG2-CH2 4.01Å; V380-W414 HydrophobicContact CG2-CZ2 3.88Å; V380-W414 HydrophobicContact CG2-CZ3 4.08Å
381A79Confident88.2Confident20 Ų2056.2 Ų56.217%0.16526%0.263CS..THydrogen-bonded Turntrans53.836.2175.600000115.7L361 G379 S383 R384 W393L361-A381 HydrophobicContact CD1-CB 4.02Å; L361-A381 HydrophobicContact CG-CB 4.08Å; G379-A381 PolarHBondContact O-N 3.45Å; A381-S383 PolarHBondContact O-N 2.86Å; A381-R384 WeakPolarHBondContact CA-O 3.48Å; A381-R384 WeakPolarHBondContact CB-O 3.37Å; A381-W393 HydrophobicContact CB-CH2 3.77Å; A381-W393 HydrophobicContact CB-CZ3 4.47Å
382R73.8Confident88.3Confident195 Ų19556.2 Ų56.274%0.73626%0.263SS*.SBendtrans-46.8-35.8176.5-76.3-176.3175.1170.33.1114.6V380V380-R382 VanDerWaalsContact C-N 3.3Å; V380-R382 PolarHBondContact O-N 2.95Å
383S75.1Confident88.5Confident108 Ų10853.7 Ų53.776%0.75525%0.254SS*.SBendtrans-120.4-29.2179.757.60000114.8A381A381-S383 PolarHBondContact O-N 2.86Å
384R85.8Confident88.7Confident153 Ų15347.1 Ų47.158%0.57723%0.231SC*.  trans-162.6152.917862.6-174.3-179.1-173.50.1112.3Y359 A381Y359-R384 HydrophobicContact CE1-CB 4Å; A381-R384 WeakPolarHBondContact CA-O 3.48Å; A381-R384 WeakPolarHBondContact CB-O 3.37Å
385A90.3Very high88.8Confident2 Ų247.3 Ų47.32%0.01723%0.232CC..  trans-69.6142.4169.300000110.9Y359 Q389 R390 W393Y359-A385 WeakPolarHBondContact O-CB 3.19Å; Y359-A385 PolarHBondContact O-N 3.17Å; A385-Q389 HydrophobicContact CB-CB 4.46Å; A385-R390 HydrophobicContact CB-CG 3.96Å; A385-R390 PolarHBondContact O-NE 3.03Å; A385-R390 PolarHBondContact O-NH2 3.32Å; A385-W393 HydrophobicContact CB-CE3 4.11Å; A385-W393 HydrophobicContact CB-CH2 4Å; A385-W393 HydrophobicContact CB-CZ3 3.5Å; A385-W393 VanDerWaalsContact CB-CZ3 3.5Å
386R91.6Very high88.9Confident131 Ų13147.3 Ų47.349%0.49423%0.232SC..  trans-74.6155.2176.8-58.4179.2171-165.2-7.3111V388 Q389 R390 Q409 I410R386-V388 PolarHBondContact O-N 2.82Å; R386-Q389 HydrophobicContact CB-CG 4.25Å; R386-Q389 VanDerWaalsContact N-OE1 3.13Å; R386-Q389 WeakPolarHBondContact O-CA 3.27Å; R386-Q389 VanDerWaalsContact O-CB 3.29Å; R386-Q389 WeakPolarHBondContact O-CB 3.44Å; R386-Q389 PolarHBondContact O-N 3.45Å; R386-R390 WeakPolarHBondContact O-CG 3.48Å; R386-R390 PolarHBondContact O-N 2.93Å; R386-R390 VanDerWaalsContact O-N 3.17Å; R386-Q409 PolarHBondContact NH1-O 3.47Å; R386-I410 WeakPolarHBondContact CD-O 3.37Å; R386-I410 VanDerWaalsContact NH1-C 3.31Å; R386-I410 PolarHBondContact NH1-O 3.06Å
387A90.8Very high89Confident24 Ų2442.4 Ų42.420%0.19821%0.209CC..Hα-helixtrans-48.4-52.9-164.900000114.6Y345 V347 Q389 R390 F391Y345-A387 WeakPolarHBondContact O-CB 3.34Å; V347-A387 HydrophobicContact CB-CB 4.49Å; V347-A387 HydrophobicContact CG2-CB 3.48Å; V347-A387 VanDerWaalsContact CG2-CB 3.48Å; A387-Q389 PolarHBondContact O-N 3.02Å; A387-R390 WeakPolarHBondContact O-CB 3.29Å; A387-R390 PolarHBondContact O-N 3.24Å; A387-F391 WeakPolarHBondContact O-CD2 3.21Å
388V93.5Very high89.1Confident0 Ų040.8 Ų40.80%020%0.204CC..Hα-helixtrans-66.2-34.4176.8-67.70000113.8V347 R386 R390 F391 A392 V404 I410 L586 D588V347-V388 HydrophobicContact CG1-CG1 4.23Å; V347-V388 HydrophobicContact CG2-CG1 3.6Å; R386-V388 PolarHBondContact O-N 2.82Å; V388-R390 VanDerWaalsContact C-N 3.25Å; V388-R390 PolarHBondContact O-N 3.49Å; V388-F391 PolarHBondContact O-N 3.06Å; V388-A392 WeakPolarHBondContact O-CB 3.45Å; V388-A392 PolarHBondContact O-N 2.96Å; V388-V404 HydrophobicContact CB-CG1 4.05Å; V388-V404 HydrophobicContact CG1-CG1 4.06Å; V388-V404 HydrophobicContact CG2-CG1 4.16Å; V388-I410 HydrophobicContact CG2-CD1 4.48Å; V388-L586 HydrophobicContact CB-CD1 4.13Å; V388-L586 HydrophobicContact CG1-CB 4.26Å; V388-L586 WeakPolarHBondContact O-CD1 3.49Å; V388-D588 HydrophobicContact CG1-CB 3.8Å
389Q94.2Very high89.1Confident2 Ų238.4 Ų38.41%0.00919%0.193CC..Hα-helixtrans-64.3-32.2-179.5-63.1172-22.700111.8A385 R386 A387 F391 A392 W393 G411 W414 S415A385-Q389 HydrophobicContact CB-CB 4.46Å; R386-Q389 HydrophobicContact CB-CG 4.25Å; R386-Q389 VanDerWaalsContact N-OE1 3.13Å; R386-Q389 WeakPolarHBondContact O-CA 3.27Å; R386-Q389 VanDerWaalsContact O-CB 3.29Å; R386-Q389 WeakPolarHBondContact O-CB 3.44Å; R386-Q389 PolarHBondContact O-N 3.45Å; A387-Q389 PolarHBondContact O-N 3.02Å; Q389-F391 PolarHBondContact O-N 2.78Å; Q389-A392 PolarHBondContact O-N 2.85Å; Q389-W393 HydrophobicContact CB-CD2 4.09Å; Q389-W393 HydrophobicContact CB-CH2 4.32Å; Q389-W393 HydrophobicContact CB-CZ2 3.86Å; Q389-W393 HydrophobicContact CG-CZ2 4.1Å; Q389-W393 WeakPolarHBondContact O-CB 3.47Å; Q389-W393 PolarHBondContact O-N 2.79Å; Q389-G411 PolarHBondContact NE2-O 2.74Å; Q389-W414 VanDerWaalsContact NE2-CB 3.32Å; Q389-S415 WeakPolarHBondContact CG-OG 3.37Å
390R93.8Very high89.4Confident13 Ų1338.1 Ų38.15%0.04918%0.182CC..Hα-helixtrans-54.9-38.6177.6-59.8-176.5170.5-129.9-27113Y345 P357 C358 Y359 A385 R386 A387 V388 P394Y345-R390 VanDerWaalsContact CD1-NH1 3.3Å; P357-R390 CarbonylContact C-O 3.59Å; P357-R390 WeakPolarHBondContact CA-O 3.36Å; P357-R390 HydrophobicContact CB-CB 4.13Å; C358-R390 PolarHBondContact N-O 2.89Å; C358-R390 WeakPolarHBondContact O-CA 3.34Å; C358-R390 VanDerWaalsContact O-CB 3.23Å; C358-R390 WeakPolarHBondContact O-CB 3.34Å; C358-R390 WeakPolarHBondContact O-CG 3.39Å; C358-R390 PolarHBondContact SG-O 2.6Å; C358-R390 VanDerWaalsContact SG-O 3.42Å; Y359-R390 PolarHBondContact O-NH2 2.98Å; Y359-R390 VanDerWaalsContact O-NH2 3.16Å; A385-R390 HydrophobicContact CB-CG 3.96Å; A385-R390 PolarHBondContact O-NE 3.03Å; A385-R390 PolarHBondContact O-NH2 3.32Å; R386-R390 WeakPolarHBondContact O-CG 3.48Å; R386-R390 PolarHBondContact O-N 2.93Å; R386-R390 VanDerWaalsContact O-N 3.17Å; A387-R390 WeakPolarHBondContact O-CB 3.29Å; A387-R390 PolarHBondContact O-N 3.24Å; V388-R390 VanDerWaalsContact C-N 3.25Å; V388-R390 PolarHBondContact O-N 3.49Å; R390-P394 WeakPolarHBondContact O-CD 3.43Å; R390-P394 VanDerWaalsContact O-CG 3.32Å; R390-P394 WeakPolarHBondContact O-CG 3.18Å
391F94.8Very high89.9Confident0 Ų037.3 Ų37.30%018%0.178CC..Hα-helixtrans-93.7-37.3178.4-58.2-87.1000112Y342 N344 Y345 V347 V355 P357 A387 V388 Q389 P394 L584 L586Y342-F391 HydrophobicContact CD1-CE1 4.08Å; Y342-F391 HydrophobicContact CG-CD1 4.36Å; Y342-F391 AromaticContact CG-CE1 3.96Å; Y342-F391 HydrophobicContact CG-CE1 3.96Å; N344-F391 HydrophobicContact CB-CZ 4.13Å; Y345-F391 HydrophobicContact CD2-CE2 4.15Å; Y345-F391 HydrophobicContact CD2-CZ 4.17Å; V347-F391 HydrophobicContact CB-CE2 4.17Å; V347-F391 HydrophobicContact CG1-CD2 4.13Å; V347-F391 HydrophobicContact CG1-CE2 4.09Å; V355-F391 HydrophobicContact CG1-CB 4.25Å; V355-F391 HydrophobicContact CG1-CD1 4.35Å; V355-F391 WeakPolarHBondContact CG1-O 3.36Å; P357-F391 HydrophobicContact CB-CD1 3.84Å; P357-F391 HydrophobicContact CB-CE1 3.8Å; P357-F391 HydrophobicContact CB-CG 4.33Å; P357-F391 HydrophobicContact CB-CZ 4.27Å; P357-F391 HydrophobicContact CG-CD1 4.4Å; P357-F391 HydrophobicContact CG-CE1 3.98Å; A387-F391 WeakPolarHBondContact O-CD2 3.21Å; V388-F391 PolarHBondContact O-N 3.06Å; Q389-F391 PolarHBondContact O-N 2.78Å; F391-P394 WeakPolarHBondContact O-CG 3.41Å; F391-L584 HydrophobicContact CB-CD2 4.06Å; F391-L584 WeakPolarHBondContact O-CD2 3.37Å; F391-L586 HydrophobicContact CB-CD1 4.1Å; F391-L586 HydrophobicContact CB-CD2 3.79Å; F391-L586 HydrophobicContact CD2-CD2 4.35Å; F391-L586 HydrophobicContact CG-CD2 4.2Å
392A95.3Very high90.7Very high0 Ų036.4 Ų36.40%017%0.17CC..Hα-helixtrans-67.8-46.4-175.300000112.7V388 Q389 H395 V396 V402 S415 L586V388-A392 WeakPolarHBondContact O-CB 3.45Å; V388-A392 PolarHBondContact O-N 2.96Å; Q389-A392 PolarHBondContact O-N 2.85Å; A392-H395 PolarHBondContact O-N 2.88Å; A392-V396 VanDerWaalsContact O-CB 3.24Å; A392-V396 WeakPolarHBondContact O-CB 3.39Å; A392-V396 WeakPolarHBondContact O-CG2 3.43Å; A392-V396 PolarHBondContact O-N 3.34Å; A392-V402 HydrophobicContact CB-CG2 4.42Å; A392-S415 WeakPolarHBondContact CB-O 3.26Å; A392-L586 HydrophobicContact CB-CD1 3.86Å
393W94.8Very high91.8Very high0 Ų027.1 Ų27.10%014%0.135CC..Hα-helixtrans-55.2-55.2-179-67.9-18.3000113.3L361 A364 I367 M375 A381 A385 Q389 H395 V396 S397 W414L361-W393 HydrophobicContact CD2-CE3 4.13Å; L361-W393 HydrophobicContact CD2-CH2 3.54Å; L361-W393 HydrophobicContact CD2-CZ2 4.21Å; L361-W393 HydrophobicContact CD2-CZ3 3.49Å; L361-W393 VanDerWaalsContact CD2-CZ3 3.49Å; L361-W393 HydrophobicContact CG-CH2 3.9Å; L361-W393 HydrophobicContact CG-CZ3 3.81Å; A364-W393 HydrophobicContact CB-CB 4.22Å; A364-W393 HydrophobicContact CB-CE3 4.07Å; I367-W393 HydrophobicContact CD1-CB 4.14Å; I367-W393 HydrophobicContact CD1-CD2 4.3Å; I367-W393 HydrophobicContact CD1-CG 4.03Å; M375-W393 HydrophobicContact CE-CH2 4.02Å; M375-W393 HydrophobicContact CE-CZ2 3.54Å; A381-W393 HydrophobicContact CB-CH2 3.77Å; A381-W393 HydrophobicContact CB-CZ3 4.47Å; A385-W393 HydrophobicContact CB-CE3 4.11Å; A385-W393 HydrophobicContact CB-CH2 4Å; A385-W393 HydrophobicContact CB-CZ3 3.5Å; A385-W393 VanDerWaalsContact CB-CZ3 3.5Å; Q389-W393 HydrophobicContact CB-CD2 4.09Å; Q389-W393 HydrophobicContact CB-CH2 4.32Å; Q389-W393 HydrophobicContact CB-CZ2 3.86Å; Q389-W393 HydrophobicContact CG-CZ2 4.1Å; Q389-W393 WeakPolarHBondContact O-CB 3.47Å; Q389-W393 PolarHBondContact O-N 2.79Å; W393-H395 PolarHBondContact O-N 2.92Å; W393-V396 PolarHBondContact O-N 2.98Å; W393-S397 VanDerWaalsContact O-CB 3.25Å; W393-S397 WeakPolarHBondContact O-CB 3.41Å; W393-S397 PolarHBondContact O-N 3.48Å; W393-S397 PolarHBondContact O-OG 2.96Å; W393-W414 PolarHBondContact NE1-O 3.26Å
394P93.1Very high92.8Very high12 Ų1222 Ų228%0.07810%0.099CC..Hα-helixtrans-66.6-17.9179.924.4-34.1000115.1V355 V356 P365 R390 F391 L398V355-P394 HydrophobicContact CG1-CG 4.26Å; V356-P394 VanDerWaalsContact O-CG 3.28Å; V356-P394 WeakPolarHBondContact O-CG 3.42Å; P365-P394 HydrophobicContact CG-CB 3.78Å; R390-P394 WeakPolarHBondContact O-CD 3.43Å; R390-P394 VanDerWaalsContact O-CG 3.32Å; R390-P394 WeakPolarHBondContact O-CG 3.18Å; F391-P394 WeakPolarHBondContact O-CG 3.41Å; P394-L398 WeakPolarHBondContact O-CD1 3.49Å; P394-L398 WeakPolarHBondContact O-CG 3.45Å
395H93.3Very high93.2Very high4 Ų414.7 Ų14.72%0.0197%0.071CC..Hα-helixtrans-90.3-43.2176.2-17590000112V355 A392 W393 L398 K400 S401 D582 L584V355-H395 HydrophobicContact CG1-CB 4.44Å; V355-H395 HydrophobicContact CG2-CB 4.22Å; A392-H395 PolarHBondContact O-N 2.88Å; W393-H395 PolarHBondContact O-N 2.92Å; H395-L398 PolarHBondContact O-N 2.99Å; H395-K400 WeakPolarHBondContact NE2-CB 3.44Å; H395-K400 PolarHBondContact O-N 2.84Å; H395-S401 PolarHBondContact CD2-O 3.32Å; H395-S401 PolarHBondContact NE2-O 3.17Å; H395-D582 PolarHBondContact CE1-O 3.07Å; H395-D582 PolarHBondContact NE2-O 3.39Å; H395-L584 HydrophobicContact CB-CB 4.46Å; H395-L584 HydrophobicContact CB-CD2 3.65Å; H395-L584 VanDerWaalsContact CD2-CB 3.4Å; H395-L584 WeakPolarHBondContact CD2-CB 3.43Å; H395-L584 VanDerWaalsContact NE2-CB 3.33Å; H395-L584 WeakPolarHBondContact NE2-CB 3.2Å; H395-L584 PolarHBondContact NE2-N 2.77Å
396V93.4Very high93.3Very high0 Ų014.6 Ų14.60%07%0.071CC..Hα-helixtrans-70.9-36.1179.8173.70000111.2A392 W393 L398 G399 V402 T419 Q559 L561A392-V396 VanDerWaalsContact O-CB 3.24Å; A392-V396 WeakPolarHBondContact O-CB 3.39Å; A392-V396 WeakPolarHBondContact O-CG2 3.43Å; A392-V396 PolarHBondContact O-N 3.34Å; W393-V396 PolarHBondContact O-N 2.98Å; V396-L398 PolarHBondContact O-N 3.26Å; V396-G399 WeakPolarHBondContact O-CA 3.49Å; V396-G399 PolarHBondContact O-N 2.75Å; V396-V402 HydrophobicContact CG2-CB 3.74Å; V396-V402 HydrophobicContact CG2-CG1 3.59Å; V396-V402 HydrophobicContact CG2-CG2 4.29Å; V396-T419 HydrophobicContact CG1-CG2 4.07Å; V396-Q559 PolarHBondContact O-NE2 2.78Å; V396-L561 HydrophobicContact CG1-CD2 4.01Å; V396-L561 HydrophobicContact CG2-CD2 4.14Å
397S90.3Very high93Very high1 Ų111.4 Ų11.41%0.0076%0.063CC..THydrogen-bonded Turntrans-67-21.417871.20000113.9P365 W393 G399 R423P365-S397 WeakPolarHBondContact O-CB 3.47Å; P365-S397 PolarHBondContact O-OG 3.42Å; W393-S397 VanDerWaalsContact O-CB 3.25Å; W393-S397 WeakPolarHBondContact O-CB 3.41Å; W393-S397 PolarHBondContact O-N 3.48Å; W393-S397 PolarHBondContact O-OG 2.96Å; S397-G399 VanDerWaalsContact C-N 3.31Å; S397-R423 PolarHBondContact O-NE 3.07Å; S397-R423 PolarHBondContact O-NH2 3.26Å
398L88.9Confident92.5Very high85 Ų8515 Ų1545%0.4458%0.079SC..THydrogen-bonded Turntrans-82-0.8167.9-63.2175.8000113.9P394 H395 V396P394-L398 WeakPolarHBondContact O-CD1 3.49Å; P394-L398 WeakPolarHBondContact O-CG 3.45Å; H395-L398 PolarHBondContact O-N 2.99Å; V396-L398 PolarHBondContact O-N 3.26Å
399G89Confident91.9Very high4 Ų423.3 Ų23.34%0.04112%0.118CC..THydrogen-bonded Turntrans8316.2178.300000115.1V396 S397 R423 Q559V396-G399 WeakPolarHBondContact O-CA 3.49Å; V396-G399 PolarHBondContact O-N 2.75Å; S397-G399 VanDerWaalsContact C-N 3.31Å; G399-R423 VanDerWaalsContact CA-NH1 3.3Å; G399-Q559 VanDerWaalsContact C-CD 3.47Å
400K91.9Very high91.3Very high26 Ų2624.3 Ų24.311%0.11312%0.123CC..  trans-91.8146.5178.4-59.8-176.9-177.8-178.40111.7H353 H395 Q555 Q559H353-K400 PolarHBondContact CE1-NZ 2.94Å; H353-K400 PolarHBondContact ND1-NZ 2.87Å; H395-K400 WeakPolarHBondContact NE2-CB 3.44Å; H395-K400 PolarHBondContact O-N 2.84Å; K400-Q555 HydrophobicContact CG-CG 4.16Å; K400-Q559 PolarHBondContact O-NE2 3.29Å
401S94.6Very high91Very high4 Ų424.1 Ų24.13%0.02813%0.125CC..  trans-67.5148.9-175.5-61.50000112.3H395 L560 V583 L584H395-S401 PolarHBondContact CD2-O 3.32Å; H395-S401 PolarHBondContact NE2-O 3.17Å; S401-L560 WeakPolarHBondContact CA-O 3.39Å; S401-L560 WeakPolarHBondContact CB-O 3.48Å; S401-L560 PolarHBondContact OG-N 2.79Å; S401-L560 VanDerWaalsContact OG-N 3.15Å; S401-L560 PolarHBondContact OG-O 3.29Å; S401-V583 WeakPolarHBondContact O-CA 3.45Å; S401-L584 PolarHBondContact O-N 3.41Å
402V95.9Very high91Very high0 Ų024.6 Ų24.60%013%0.127CC..EExtended strand (participates in β ladder)trans-137.9140.6-178.679.80000112A392 V396 V404 Y416 L560 L561 V562 M580 L584 L586A392-V402 HydrophobicContact CB-CG2 4.42Å; V396-V402 HydrophobicContact CG2-CB 3.74Å; V396-V402 HydrophobicContact CG2-CG1 3.59Å; V396-V402 HydrophobicContact CG2-CG2 4.29Å; V402-V404 HydrophobicContact CG1-CG2 4.33Å; V402-V404 HydrophobicContact CG2-CG2 3.94Å; V402-Y416 HydrophobicContact CG1-CD1 4.23Å; V402-L560 PolarHBondContact N-O 3.34Å; V402-L561 HydrophobicContact CG1-CD2 3.72Å; V402-V562 PolarHBondContact O-N 3.43Å; V402-M580 VanDerWaalsContact O-CE 3.28Å; V402-M580 WeakPolarHBondContact O-CE 3.19Å; V402-L584 CarbonylContact C-O 3.26Å; V402-L584 WeakPolarHBondContact CA-O 3.39Å; V402-L584 HydrophobicContact CG2-CB 4.21Å; V402-L584 HydrophobicContact CG2-CD2 4.25Å; V402-L584 HydrophobicContact CG2-CG 4.29Å; V402-L584 VanDerWaalsContact CG2-O 3.3Å; V402-L584 WeakPolarHBondContact CG2-O 3.37Å; V402-L586 HydrophobicContact CG2-CD1 4.47Å
403L96.4Very high91Very high0 Ų025.4 Ų25.40%013%0.132CC..EExtended strand (participates in β ladder)trans-123.8110.8173.6171.556.7000109.1V405 V562 W567 M572 I576 L577 M580 V583 L584 V585 L586L403-V405 HydrophobicContact CD1-CG2 4.16Å; L403-V405 HydrophobicContact CG-CG2 4.36Å; L403-V562 WeakPolarHBondContact CA-O 3.3Å; L403-V562 HydrophobicContact CD1-CB 3.74Å; L403-V562 HydrophobicContact CD1-CG1 3.61Å; L403-W567 HydrophobicContact CD2-CH2 4.11Å; L403-W567 HydrophobicContact CD2-CZ3 3.69Å; L403-M572 HydrophobicContact CD1-CE 4.42Å; L403-M572 HydrophobicContact CD1-SD 4.04Å; L403-M572 HydrophobicContact CD2-SD 4.14Å; L403-I576 HydrophobicContact CD2-CG2 4.4Å; L403-L577 HydrophobicContact CD2-CD2 4.11Å; L403-M580 HydrophobicContact CB-CE 4.23Å; L403-V583 HydrophobicContact CB-CG2 3.99Å; L403-L584 PolarHBondContact N-O 3.3Å; L403-V585 HydrophobicContact CB-CG1 4.5Å; L403-V585 HydrophobicContact CB-CG2 4.46Å; L403-V585 HydrophobicContact CD2-CG1 4.25Å; L403-V585 HydrophobicContact CD2-CG2 4.44Å; L403-V585 HydrophobicContact CG-CG1 4.28Å; L403-V585 CarbonylContact O-C 3.58Å; L403-V585 WeakPolarHBondContact O-CA 3.41Å; L403-L586 PolarHBondContact O-N 2.96Å
404V96.8Very high91Very high0 Ų026.6 Ų26.60%014%0.136CC..EExtended strand (participates in β ladder)trans-111118.6-176.6-168.70000110.8V388 V402 K412 V562 S563 G564 L586V388-V404 HydrophobicContact CB-CG1 4.05Å; V388-V404 HydrophobicContact CG1-CG1 4.06Å; V388-V404 HydrophobicContact CG2-CG1 4.16Å; V402-V404 HydrophobicContact CG1-CG2 4.33Å; V402-V404 HydrophobicContact CG2-CG2 3.94Å; V404-K412 HydrophobicContact CB-CD 4.44Å; V404-K412 HydrophobicContact CB-CG 4.4Å; V404-K412 HydrophobicContact CG1-CB 4.4Å; V404-K412 HydrophobicContact CG1-CD 4.21Å; V404-K412 HydrophobicContact CG1-CG 3.87Å; V404-K412 WeakPolarHBondContact O-CD 3.3Å; V404-V562 PolarHBondContact N-O 3.46Å; V404-S563 CarbonylContact O-C 3.57Å; V404-S563 WeakPolarHBondContact O-CA 3.41Å; V404-G564 PolarHBondContact O-N 3.44Å; V404-L586 HydrophobicContact CG1-CB 4.36Å; V404-L586 HydrophobicContact CG2-CD1 4.33Å
405V95.3Very high91Very high0 Ų026 Ų260%013%0.133CC..EExtended strand (participates in β ladder)trans-118.5137-178.9-179.20000110.7L403 W567 L586 F587 D588 E592L403-V405 HydrophobicContact CD1-CG2 4.16Å; L403-V405 HydrophobicContact CG-CG2 4.36Å; V405-W567 HydrophobicContact CG2-CE3 4.17Å; V405-L586 PolarHBondContact N-O 3.37Å; V405-F587 HydrophobicContact CB-CD1 3.98Å; V405-F587 HydrophobicContact CB-CE1 4.16Å; V405-F587 HydrophobicContact CG1-CD1 4.17Å; V405-F587 HydrophobicContact CG1-CE1 4.32Å; V405-F587 WeakPolarHBondContact O-CA 3.49Å; V405-D588 PolarHBondContact O-N 3.16Å; V405-E592 HydrophobicContact CG1-CB 4.35Å
406G91.7Very high91.2Very high0 Ų025.8 Ų25.80%013%0.132CC..  trans154-174175.800000112.5K412 G564 R565G406-K412 PolarHBondContact O-NZ 3.35Å; G406-G564 PolarHBondContact N-O 3.44Å; G406-R565 WeakPolarHBondContact O-CA 3.29Å
407N85.9Confident91.3Very high64 Ų6425.8 Ų25.834%0.34213%0.132SC..  trans-60.2174.3-167.8-63.1-80000114.8I410 K412 D589 K710N407-I410 HydrophobicContact CB-CG2 4Å; N407-K412 PolarHBondContact O-NZ 2.82Å; N407-D589 PolarHBondContact ND2-OD2 2.93Å; N407-D589 PolarHBondContact OD1-OD2 3.27Å; N407-K710 PolarHBondContact OD1-NZ 2.96Å
408L80.3Confident91.5Very high100 Ų10025.8 Ų25.852%0.52413%0.132SC..THydrogen-bonded Turntrans-60.5156.4166.4-85.7179000110.9I410L408-I410 PolarHBondContact O-N 3.49Å
409Q79.9Confident91.7Very high175 Ų17522 Ų2282%0.81811%0.112SC*.THydrogen-bonded Turntrans59.14.2171.9-60.6179.9-2.800117.2R386 G411R386-Q409 PolarHBondContact NH1-O 3.47Å; Q409-G411 PolarHBondContact O-N 2.8Å
410I82.8Confident92Very high23 Ų2322 Ų2212%0.11811%0.112CC..SBendtrans-65.9-20.8176.769.6171.1000113.3R386 V388 N407 L408 K412 D588R386-I410 WeakPolarHBondContact CD-O 3.37Å; R386-I410 VanDerWaalsContact NH1-C 3.31Å; R386-I410 PolarHBondContact NH1-O 3.06Å; V388-I410 HydrophobicContact CG2-CD1 4.48Å; N407-I410 HydrophobicContact CB-CG2 4Å; L408-I410 PolarHBondContact O-N 3.49Å; I410-K412 HydrophobicContact CD1-CD 4.17Å; I410-K412 HydrophobicContact CD1-CG 3.64Å; I410-K412 HydrophobicContact CG1-CD 4.44Å; I410-K412 HydrophobicContact CG1-CG 3.57Å; I410-D588 HydrophobicContact CD1-CB 3.46Å; I410-D588 VanDerWaalsContact CD1-CB 3.46Å; I410-D588 VanDerWaalsContact CG2-OD2 3.23Å; I410-D588 WeakPolarHBondContact CG2-OD2 3.24Å
411G87.6Confident92.1Very high9 Ų920.8 Ų20.89%0.09311%0.106CC..  trans104.727.5178.700000114.8Q389 Q409 W414 S415Q389-G411 PolarHBondContact NE2-O 2.74Å; Q409-G411 PolarHBondContact O-N 2.8Å; G411-W414 CarbonylContact O-C 3.26Å; G411-W414 WeakPolarHBondContact O-CB 3.32Å; G411-W414 PolarHBondContact O-N 3.06Å; G411-S415 PolarHBondContact O-N 3.48Å; G411-S415 PolarHBondContact O-OG 3.05Å
412K93.8Very high92.1Very high9 Ų921.4 Ų21.44%0.03911%0.108CC..SBendtrans-53-56.9-179.9-62.7-163.6-71.1-94.30113.5V404 G406 N407 I410 W414 S415 Y416 S563 G564V404-K412 HydrophobicContact CB-CD 4.44Å; V404-K412 HydrophobicContact CB-CG 4.4Å; V404-K412 HydrophobicContact CG1-CB 4.4Å; V404-K412 HydrophobicContact CG1-CD 4.21Å; V404-K412 HydrophobicContact CG1-CG 3.87Å; V404-K412 WeakPolarHBondContact O-CD 3.3Å; G406-K412 PolarHBondContact O-NZ 3.35Å; N407-K412 PolarHBondContact O-NZ 2.82Å; I410-K412 HydrophobicContact CD1-CD 4.17Å; I410-K412 HydrophobicContact CD1-CG 3.64Å; I410-K412 HydrophobicContact CG1-CD 4.44Å; I410-K412 HydrophobicContact CG1-CG 3.57Å; K412-W414 VanDerWaalsContact C-N 3.28Å; K412-W414 PolarHBondContact O-N 2.62Å; K412-S415 WeakPolarHBondContact O-CA 3.36Å; K412-S415 WeakPolarHBondContact O-CB 3.36Å; K412-S415 PolarHBondContact O-N 3.15Å; K412-S415 PolarHBondContact O-OG 3.31Å; K412-Y416 WeakPolarHBondContact O-CE1 3.3Å; K412-S563 WeakPolarHBondContact CD-OG 3.43Å; K412-S563 WeakPolarHBondContact CE-OG 2.99Å; K412-G564 WeakPolarHBondContact CD-O 3.25Å; K412-G564 WeakPolarHBondContact CE-O 3.15Å; K412-G564 PolarHBondContact NZ-O 2.87Å
413T94.9Very high91.9Very high18 Ų1825.6 Ų25.611%0.1112%0.124CC..G310 helixtrans-54.5-46.3177.8-33.50000111.1S415 Y416 L417 F442 I453 W456 D527T413-S415 PolarHBondContact O-N 2.94Å; T413-S415 VanDerWaalsContact O-N 3.1Å; T413-Y416 PolarHBondContact O-N 3.43Å; T413-L417 HydrophobicContact CG2-CB 4.47Å; T413-L417 HydrophobicContact CG2-CD2 4.39Å; T413-L417 WeakPolarHBondContact O-CB 3.43Å; T413-L417 PolarHBondContact O-N 3.3Å; T413-F442 HydrophobicContact CG2-CZ 3.99Å; T413-I453 HydrophobicContact CG2-CD1 4.14Å; T413-I453 HydrophobicContact CG2-CG1 4.22Å; T413-W456 HydrophobicContact CG2-CZ3 4.38Å; T413-D527 WeakPolarHBondContact CB-OD2 3.46Å; T413-D527 WeakPolarHBondContact CG2-OD2 3.38Å; T413-D527 PolarHBondContact OG1-OD2 3.2Å
414W94.4Very high91.8Very high24 Ų2425.8 Ų25.89%0.09113%0.125CC..G310 helixtrans-64.9-8.9175.1-76.6106.2000115.4M375 M378 V380 Q389 W393 G411 K412 Y416 L417 P418 W456 L460M375-W414 HydrophobicContact CE-CE3 4.09Å; M375-W414 HydrophobicContact CE-CZ3 4.36Å; M375-W414 HydrophobicContact CG-CZ3 4.09Å; M378-W414 HydrophobicContact CE-CH2 3.7Å; M378-W414 HydrophobicContact CE-CZ3 4.45Å; M378-W414 HydrophobicContact SD-CH2 3.78Å; M378-W414 HydrophobicContact SD-CZ2 4.13Å; V380-W414 HydrophobicContact CG1-CD2 4.26Å; V380-W414 HydrophobicContact CG1-CE3 4.15Å; V380-W414 HydrophobicContact CG2-CD2 3.94Å; V380-W414 HydrophobicContact CG2-CE3 4.04Å; V380-W414 HydrophobicContact CG2-CH2 4.01Å; V380-W414 HydrophobicContact CG2-CZ2 3.88Å; V380-W414 HydrophobicContact CG2-CZ3 4.08Å; Q389-W414 VanDerWaalsContact NE2-CB 3.32Å; W393-W414 PolarHBondContact NE1-O 3.26Å; G411-W414 CarbonylContact O-C 3.26Å; G411-W414 WeakPolarHBondContact O-CB 3.32Å; G411-W414 PolarHBondContact O-N 3.06Å; K412-W414 VanDerWaalsContact C-N 3.28Å; K412-W414 PolarHBondContact O-N 2.62Å; W414-Y416 VanDerWaalsContact C-N 3.26Å; W414-L417 HydrophobicContact CH2-CD2 4.44Å; W414-L417 HydrophobicContact CZ3-CD2 4.5Å; W414-P418 HydrophobicContact CE3-CG 3.94Å; W414-P418 HydrophobicContact CZ3-CG 4.16Å; W414-W456 HydrophobicContact CH2-CB 4.15Å; W414-W456 HydrophobicContact CH2-CG 4.3Å; W414-W456 HydrophobicContact CZ2-CB 3.87Å; W414-W456 AromaticContact CZ2-CD1 3.74Å; W414-W456 AromaticContact CZ2-CD2 3.81Å; W414-W456 HydrophobicContact CZ2-CD2 3.81Å; W414-W456 HydrophobicContact CZ2-CE3 4.43Å; W414-W456 AromaticContact CZ2-CG 3.55Å; W414-W456 HydrophobicContact CZ2-CG 3.55Å; W414-W456 AromaticContact NE1-CD2 3.87Å; W414-W456 AromaticContact NE1-CE2 3.82Å; W414-W456 AromaticContact NE1-CE3 3.95Å; W414-W456 AromaticContact NE1-CZ2 3.89Å; W414-L460 HydrophobicContact CH2-CD1 4.18Å; W414-L460 HydrophobicContact CH2-CD2 4.47Å; W414-L460 HydrophobicContact CH2-CG 4.44Å; W414-L460 HydrophobicContact CZ3-CD1 4Å; W414-L460 HydrophobicContact CZ3-CD2 4.19Å; W414-L460 HydrophobicContact CZ3-CG 4.47Å
415S94.9Very high91.6Very high0 Ų026.6 Ų26.60%013%0.129CC..G310 helixtrans-78.1-12175.5-53.80000112.6Q389 A392 G411 K412 T413Q389-S415 WeakPolarHBondContact CG-OG 3.37Å; A392-S415 WeakPolarHBondContact CB-O 3.26Å; G411-S415 PolarHBondContact O-N 3.48Å; G411-S415 PolarHBondContact O-OG 3.05Å; K412-S415 WeakPolarHBondContact O-CA 3.36Å; K412-S415 WeakPolarHBondContact O-CB 3.36Å; K412-S415 PolarHBondContact O-N 3.15Å; K412-S415 PolarHBondContact O-OG 3.31Å; T413-S415 PolarHBondContact O-N 2.94Å; T413-S415 VanDerWaalsContact O-N 3.1Å
416Y95.6Very high91.4Very high0 Ų029.6 Ų29.60%014%0.143CC..THydrogen-bonded Turntrans-142.8-24.7177.453.8-99.4000114.7V402 K412 T413 W414 T419 V420 F442 A525 D527 L561V402-Y416 HydrophobicContact CG1-CD1 4.23Å; K412-Y416 WeakPolarHBondContact O-CE1 3.3Å; T413-Y416 PolarHBondContact O-N 3.43Å; W414-Y416 VanDerWaalsContact C-N 3.26Å; Y416-T419 WeakPolarHBondContact O-CB 3.32Å; Y416-T419 PolarHBondContact O-N 3.23Å; Y416-T419 VanDerWaalsContact O-N 3.12Å; Y416-V420 HydrophobicContact CD2-CG2 4.11Å; Y416-V420 WeakPolarHBondContact O-CG2 3.47Å; Y416-V420 PolarHBondContact O-N 3.31Å; Y416-F442 AromaticContact CE2-CE2 3.85Å; Y416-F442 HydrophobicContact CE2-CE2 3.85Å; Y416-F442 AromaticContact CE2-CZ 3.93Å; Y416-F442 HydrophobicContact CE2-CZ 3.93Å; Y416-A525 HydrophobicContact CE2-CB 4.21Å; Y416-D527 VanDerWaalsContact OH-CB 3.3Å; Y416-D527 WeakPolarHBondContact OH-CB 3.2Å; Y416-D527 PolarHBondContact OH-OD1 3.36Å; Y416-L561 HydrophobicContact CD1-CB 4.49Å; Y416-L561 HydrophobicContact CD2-CB 4.24Å; Y416-L561 HydrophobicContact CD2-CD1 3.75Å; Y416-L561 HydrophobicContact CE2-CB 4.49Å; Y416-L561 HydrophobicContact CG-CB 4.25Å; Y416-L561 HydrophobicContact CG-CD1 3.98Å
417L95.9Very high91.4Very high0 Ų031.6 Ų31.60%015%0.154CC..Hα-helixtrans-49.8-41.8-178.7-175.466.7000115.4T413 W414 T419 V420 C421 F442 I453 W456 M457 L460T413-L417 HydrophobicContact CG2-CB 4.47Å; T413-L417 HydrophobicContact CG2-CD2 4.39Å; T413-L417 WeakPolarHBondContact O-CB 3.43Å; T413-L417 PolarHBondContact O-N 3.3Å; W414-L417 HydrophobicContact CH2-CD2 4.44Å; W414-L417 HydrophobicContact CZ3-CD2 4.5Å; L417-T419 PolarHBondContact O-N 3.47Å; L417-V420 PolarHBondContact O-N 3.41Å; L417-C421 PolarHBondContact O-N 3.02Å; L417-C421 PolarHBondContact O-SG 3.32Å; L417-F442 HydrophobicContact CD1-CE2 4.02Å; L417-I453 HydrophobicContact CD1-CG2 4.32Å; L417-W456 HydrophobicContact CD2-CB 3.75Å; L417-W456 HydrophobicContact CD2-CE3 4.02Å; L417-M457 HydrophobicContact CD1-CE 3.67Å; L417-M457 HydrophobicContact CD1-CG 3.83Å; L417-L460 HydrophobicContact CD2-CD1 4.17Å; L417-L460 HydrophobicContact CG-CD1 3.88Å
418P94.5Very high91.7Very high0 Ų028.5 Ų28.50%014%0.138CC..Hα-helixtrans-60-45.7178.3-22.133.5000112.5I371 M375 W414 C421 Q422I371-P418 HydrophobicContact CG2-CB 3.68Å; M375-P418 HydrophobicContact CE-CB 4.26Å; M375-P418 HydrophobicContact CE-CG 3.46Å; M375-P418 VanDerWaalsContact CE-CG 3.46Å; M375-P418 HydrophobicContact CG-CG 4.37Å; M375-P418 HydrophobicContact SD-CB 3.55Å; M375-P418 VanDerWaalsContact SD-CB 3.55Å; M375-P418 HydrophobicContact SD-CG 3.43Å; M375-P418 WeakPolarHBondContact SD-CG 3.33Å; W414-P418 HydrophobicContact CE3-CG 3.94Å; W414-P418 HydrophobicContact CZ3-CG 4.16Å; P418-C421 PolarHBondContact O-N 3.47Å; P418-Q422 WeakPolarHBondContact O-CB 3.32Å; P418-Q422 PolarHBondContact O-N 3.39Å
419T93.1Very high92.1Very high7 Ų726.9 Ų26.94%0.04313%0.127CC..Hα-helixtrans-66.5-39.2177-47.50000111.6V396 Y416 L417 Q422 R423V396-T419 HydrophobicContact CG1-CG2 4.07Å; Y416-T419 WeakPolarHBondContact O-CB 3.32Å; Y416-T419 PolarHBondContact O-N 3.23Å; Y416-T419 VanDerWaalsContact O-N 3.12Å; L417-T419 PolarHBondContact O-N 3.47Å; T419-Q422 PolarHBondContact O-N 3.03Å; T419-R423 HydrophobicContact CG2-CG 4.13Å; T419-R423 WeakPolarHBondContact O-CB 3.37Å; T419-R423 WeakPolarHBondContact O-CG 3.4Å; T419-R423 PolarHBondContact O-N 3.19Å
420V95.1Very high92.5Very high4 Ų425.9 Ų25.92%0.02412%0.116CC..Hα-helixtrans-59.3-50.7175.4170.30000110.6Y416 L417 S424 C440 F442 I495 L561Y416-V420 HydrophobicContact CD2-CG2 4.11Å; Y416-V420 WeakPolarHBondContact O-CG2 3.47Å; Y416-V420 PolarHBondContact O-N 3.31Å; L417-V420 PolarHBondContact O-N 3.41Å; V420-S424 WeakPolarHBondContact O-CB 3.32Å; V420-S424 PolarHBondContact O-N 3.16Å; V420-S424 PolarHBondContact O-OG 3.29Å; V420-C440 HydrophobicContact CG1-CB 4.4Å; V420-C440 VanDerWaalsContact CG1-SG 3.58Å; V420-F442 HydrophobicContact CG1-CD2 4.48Å; V420-I495 HydrophobicContact CG1-CD1 4.16Å; V420-L561 HydrophobicContact CG2-CD1 3.31Å
421C95.3Very high92.7Very high0 Ų026.4 Ų26.40%012%0.117CC..Hα-helixtrans-59.4-50.7178.1-67.80000111.5L417 P418 S424 H425 L460 L461L417-C421 PolarHBondContact O-N 3.02Å; L417-C421 PolarHBondContact O-SG 3.32Å; P418-C421 PolarHBondContact O-N 3.47Å; C421-S424 PolarHBondContact O-N 2.68Å; C421-H425 WeakPolarHBondContact O-CB 3.48Å; C421-H425 PolarHBondContact O-N 3.35Å; C421-L460 HydrophobicContact CB-CB 3.88Å; C421-L460 HydrophobicContact CB-CD1 4.11Å; C421-L460 VanDerWaalsContact SG-CD1 3.53Å; C421-L461 HydrophobicContact CB-CD2 3.89Å; C421-L461 HydrophobicContact CB-CG 4.04Å; C421-L461 WeakPolarHBondContact O-CD2 3.5Å
422Q93.5Very high92.5Very high16 Ų1630.2 Ų30.28%0.07514%0.139CC..Hα-helixtrans-60.4-53.4-178-164.5-174.1-61.900112.4D366 S368 I371 P418 T419 S424 H425 E426D366-Q422 PolarHBondContact O-NE2 2.87Å; S368-Q422 VanDerWaalsContact CB-OE1 3.24Å; S368-Q422 PolarHBondContact OG-OE1 3.06Å; I371-Q422 HydrophobicContact CD1-CB 4.47Å; I371-Q422 HydrophobicContact CG1-CB 4.08Å; I371-Q422 HydrophobicContact CG1-CG 4.2Å; P418-Q422 WeakPolarHBondContact O-CB 3.32Å; P418-Q422 PolarHBondContact O-N 3.39Å; T419-Q422 PolarHBondContact O-N 3.03Å; Q422-S424 PolarHBondContact O-N 2.71Å; Q422-H425 PolarHBondContact O-N 3.08Å; Q422-E426 HydrophobicContact CG-CG 4.43Å; Q422-E426 WeakPolarHBondContact CG-OE1 3.22Å; Q422-E426 PolarHBondContact NE2-OE1 3.18Å; Q422-E426 WeakPolarHBondContact O-CB 3.27Å; Q422-E426 WeakPolarHBondContact O-CG 3.37Å; Q422-E426 PolarHBondContact O-N 3.4Å
423R92.2Very high91.8Very high89 Ų8935.8 Ų35.834%0.33617%0.17SC..Hα-helixtrans-65-40.9-178.4-72.8-176164.5-132.3-7.6112S397 G399 T419 H425 E426 D427S397-R423 PolarHBondContact O-NE 3.07Å; S397-R423 PolarHBondContact O-NH2 3.26Å; G399-R423 VanDerWaalsContact CA-NH1 3.3Å; T419-R423 HydrophobicContact CG2-CG 4.13Å; T419-R423 WeakPolarHBondContact O-CB 3.37Å; T419-R423 WeakPolarHBondContact O-CG 3.4Å; T419-R423 PolarHBondContact O-N 3.19Å; R423-H425 VanDerWaalsContact C-N 3.29Å; R423-H425 PolarHBondContact O-N 3.04Å; R423-E426 PolarHBondContact O-N 3.44Å; R423-D427 WeakPolarHBondContact O-CB 3.45Å; R423-D427 PolarHBondContact O-N 3.4Å
424S93.8Very high91.1Very high3 Ų341 Ų412%0.02120%0.202CC..Hα-helixtrans-62.8-39179.1-54.40000111.7V420 C421 Q422 L428 C440V420-S424 WeakPolarHBondContact O-CB 3.32Å; V420-S424 PolarHBondContact O-N 3.16Å; V420-S424 PolarHBondContact O-OG 3.29Å; C421-S424 PolarHBondContact O-N 2.68Å; Q422-S424 PolarHBondContact O-N 2.71Å; S424-L428 WeakPolarHBondContact O-CB 3.38Å; S424-L428 PolarHBondContact O-N 3.28Å; S424-C440 WeakPolarHBondContact OG-CB 3.42Å
425H93.1Very high90.6Very high18 Ų1840.4 Ų40.48%0.08320%0.203CC..Hα-helixtrans-70.8-49.8174.9176.682.7000112.3C421 Q422 R423 D427 L428 Q429 L461 L464 G465 D472C421-H425 WeakPolarHBondContact O-CB 3.48Å; C421-H425 PolarHBondContact O-N 3.35Å; Q422-H425 PolarHBondContact O-N 3.08Å; R423-H425 VanDerWaalsContact C-N 3.29Å; R423-H425 PolarHBondContact O-N 3.04Å; H425-D427 VanDerWaalsContact C-N 3.32Å; H425-D427 PolarHBondContact O-N 3.33Å; H425-L428 WeakPolarHBondContact O-CB 3.42Å; H425-L428 PolarHBondContact O-N 3.34Å; H425-L428 VanDerWaalsContact O-N 3.11Å; H425-Q429 PolarHBondContact CE1-NE2 3.45Å; H425-Q429 WeakPolarHBondContact O-CG 3.34Å; H425-Q429 PolarHBondContact O-N 2.74Å; H425-L461 HydrophobicContact CB-CD2 3.83Å; H425-L464 HydrophobicContact CB-CD1 3.94Å; H425-G465 PolarHBondContact CE1-O 3.4Å; H425-D472 IonicContact CE1-OD1 2.74Å; H425-D472 IonicContact CG-OD1 2.72Å; H425-D472 IonicContact ND1-OD1 2.94Å; H425-D472 PolarHBondContact ND1-OD1 2.94Å
426E91.6Very high90.3Very high62 Ų6245.9 Ų45.929%0.2922%0.223SC..Hα-helixtrans-55.6-46.2178.1-81.7-175.5-135.300112Q422 R423 Q429 R430Q422-E426 HydrophobicContact CG-CG 4.43Å; Q422-E426 WeakPolarHBondContact CG-OE1 3.22Å; Q422-E426 PolarHBondContact NE2-OE1 3.18Å; Q422-E426 WeakPolarHBondContact O-CB 3.27Å; Q422-E426 WeakPolarHBondContact O-CG 3.37Å; Q422-E426 PolarHBondContact O-N 3.4Å; R423-E426 PolarHBondContact O-N 3.44Å; E426-Q429 PolarHBondContact O-N 3.23Å; E426-R430 WeakPolarHBondContact O-CG 3.42Å; E426-R430 PolarHBondContact O-N 3.38Å; E426-R430 IonicContact OE2-CZ 3.66Å; E426-R430 IonicContact OE2-NH1 3.72Å; E426-R430 PolarHBondContact OE2-NH1 2.74Å; E426-R430 IonicContact OE2-NH2 3.37Å; E426-R430 PolarHBondContact OE2-NH2 3.07Å
427D91.3Very high90.1Very high42 Ų4245.9 Ų45.923%0.22522%0.223CC..Hα-helixtrans-72.6-30.8177.8-76.5-18.2000111.9R423 H425 R430 R431 T439R423-D427 WeakPolarHBondContact O-CB 3.45Å; R423-D427 PolarHBondContact O-N 3.4Å; H425-D427 VanDerWaalsContact C-N 3.32Å; H425-D427 PolarHBondContact O-N 3.33Å; D427-R430 CarbonylContact O-C 3.6Å; D427-R430 WeakPolarHBondContact O-CA 3.25Å; D427-R430 WeakPolarHBondContact O-CB 3.23Å; D427-R430 PolarHBondContact O-N 2.9Å; D427-R430 VanDerWaalsContact O-N 3.07Å; D427-R430 IonicContact OD1-CZ 2.7Å; D427-R430 IonicContact OD1-NH1 3.49Å; D427-R430 PolarHBondContact OD1-NH1 3.07Å; D427-R431 VanDerWaalsContact O-CG 3.26Å; D427-R431 WeakPolarHBondContact O-CG 3.32Å; D427-R431 PolarHBondContact O-N 3.37Å; D427-R431 VanDerWaalsContact O-N 3.13Å; D427-T439 HydrophobicContact CB-CG2 3.7Å
428L91.9Very high90Very high0 Ų045.9 Ų45.90%022%0.223CC..Hα-helixtrans-60.8-43.5170.3-178.563.6000111.6S424 H425 R430 R431 F470 P492S424-L428 WeakPolarHBondContact O-CB 3.38Å; S424-L428 PolarHBondContact O-N 3.28Å; H425-L428 WeakPolarHBondContact O-CB 3.42Å; H425-L428 PolarHBondContact O-N 3.34Å; H425-L428 VanDerWaalsContact O-N 3.11Å; L428-R430 PolarHBondContact O-N 3.44Å; L428-R430 VanDerWaalsContact O-N 3.17Å; L428-R431 PolarHBondContact O-N 3.35Å; L428-R431 VanDerWaalsContact O-N 3.09Å; L428-F470 HydrophobicContact CD1-CB 3.88Å; L428-F470 HydrophobicContact CD1-CD2 3.89Å; L428-F470 HydrophobicContact CD1-CG 4.23Å; L428-F470 HydrophobicContact CD2-CB 4.04Å; L428-F470 HydrophobicContact CG-CB 4.19Å; L428-F470 HydrophobicContact CG-CD2 4.34Å; L428-P492 HydrophobicContact CD1-CB 3.72Å
429Q89.3Confident90Very high66 Ų6646 Ų4631%0.30822%0.224SC..THydrogen-bonded Turntrans-64.5-17174.6-55.8-40.3-73.800112.8H425 E426 S468H425-Q429 PolarHBondContact CE1-NE2 3.45Å; H425-Q429 WeakPolarHBondContact O-CG 3.34Å; H425-Q429 PolarHBondContact O-N 2.74Å; E426-Q429 PolarHBondContact O-N 3.23Å; Q429-S468 PolarHBondContact NE2-OG 3.15Å; Q429-S468 VanDerWaalsContact NE2-OG 3.12Å; Q429-S468 VanDerWaalsContact OE1-CB 3.27Å; Q429-S468 PolarHBondContact OE1-OG 2.77Å
430R89Confident90.2Very high153 Ų15345.7 Ų45.758%0.57722%0.222SC*.THydrogen-bonded Turntrans-96.5-5.7176.1-62.1165.2-169.9136.67.1113.4E426 D427 L428E426-R430 WeakPolarHBondContact O-CG 3.42Å; E426-R430 PolarHBondContact O-N 3.38Å; E426-R430 IonicContact OE2-CZ 3.66Å; E426-R430 IonicContact OE2-NH1 3.72Å; E426-R430 PolarHBondContact OE2-NH1 2.74Å; E426-R430 IonicContact OE2-NH2 3.37Å; E426-R430 PolarHBondContact OE2-NH2 3.07Å; D427-R430 CarbonylContact O-C 3.6Å; D427-R430 WeakPolarHBondContact O-CA 3.25Å; D427-R430 WeakPolarHBondContact O-CB 3.23Å; D427-R430 PolarHBondContact O-N 2.9Å; D427-R430 VanDerWaalsContact O-N 3.07Å; D427-R430 IonicContact OD1-CZ 2.7Å; D427-R430 IonicContact OD1-NH1 3.49Å; D427-R430 PolarHBondContact OD1-NH1 3.07Å; L428-R430 PolarHBondContact O-N 3.44Å; L428-R430 VanDerWaalsContact O-N 3.17Å
431R86.9Confident90.3Very high35 Ų3545.5 Ų45.513%0.13222%0.221CC..SBendtrans-80.3138.6-178.9-67.3-154.568.8-178.34.8111.2D427 L428 R436 G437 P492 D517D427-R431 VanDerWaalsContact O-CG 3.26Å; D427-R431 WeakPolarHBondContact O-CG 3.32Å; D427-R431 PolarHBondContact O-N 3.37Å; D427-R431 VanDerWaalsContact O-N 3.13Å; L428-R431 PolarHBondContact O-N 3.35Å; L428-R431 VanDerWaalsContact O-N 3.09Å; R431-R436 PolarHBondContact NH1-O 2.73Å; R431-R436 PolarHBondContact NH2-O 2.62Å; R431-G437 PolarHBondContact NH1-O 3.02Å; R431-P492 HydrophobicContact CB-CB 4.17Å; R431-P492 HydrophobicContact CB-CG 4.41Å; R431-D517 IonicContact NH2-OD2 3.54Å
432P82.6Confident90.5Very high88 Ų8845.5 Ų45.557%0.57122%0.221SC*.  trans-72.8149.4168.831.8-34.9000110.8V434 G435P432-V434 PolarHBondContact O-N 3.19Å; P432-G435 WeakPolarHBondContact O-CA 3.35Å; P432-G435 PolarHBondContact O-N 2.91Å
433D78.6Confident90.7Very high127 Ų12744.8 Ų44.868%0.67922%0.217SC*.THydrogen-bonded Turntrans-55.9-26.2-178.2-53.8-3.7000114.6G435 F470D433-G435 VanDerWaalsContact C-N 3.25Å; D433-G435 PolarHBondContact O-N 3.18Å; D433-F470 HydrophobicContact CB-CZ 4.28Å
434V80.9Confident90.8Very high128 Ų12840.5 Ų40.578%0.77620%0.201SC*.THydrogen-bonded Turntrans-77.5-13178.3-164.70000112.1P432P432-V434 PolarHBondContact O-N 3.19Å
435G83Confident90.6Very high11 Ų1140.8 Ų40.811%0.11320%0.203CC..  trans-64.9160.2175.800000112.9P432 D433 K491 P492P432-G435 WeakPolarHBondContact O-CA 3.35Å; P432-G435 PolarHBondContact O-N 2.91Å; D433-G435 VanDerWaalsContact C-N 3.25Å; D433-G435 PolarHBondContact O-N 3.18Å; G435-K491 CarbonylContact O-C 3.57Å; G435-P492 WeakPolarHBondContact O-CD 3.49Å; G435-P492 WeakPolarHBondContact O-CG 3.41Å
436R89.3Confident90.3Very high114 Ų11443.3 Ų43.343%0.4322%0.217SC..  trans-133.2137.5-174.9-53.9-167.1-177169.64.6113R431 K490 D517R431-R436 PolarHBondContact NH1-O 2.73Å; R431-R436 PolarHBondContact NH2-O 2.62Å; R436-K490 WeakPolarHBondContact CG-O 3.22Å; R436-D517 PolarHBondContact O-N 3.47Å
437G91.5Very high90.2Very high0 Ų044.2 Ų44.20%022%0.222CC..EExtended strand (participates in β ladder)trans65.5-159.6170.900000116.1R431 L489 K491 V493R431-G437 PolarHBondContact NH1-O 3.02Å; G437-L489 WeakPolarHBondContact CA-O 3.36Å; G437-L489 PolarHBondContact N-O 2.68Å; G437-K491 WeakPolarHBondContact CA-O 3.43Å; G437-K491 PolarHBondContact N-O 3.28Å; G437-V493 PolarHBondContact O-N 3.4Å
438P94.6Very high90Very high0 Ų044.7 Ų44.70%024%0.236CC..EExtended strand (participates in β ladder)trans-82.4145.2-159.532.9-31.8000112.3C440 I441 V493 L496 V521P438-C440 WeakPolarHBondContact CB-O 3.33Å; P438-I441 HydrophobicContact CG-CD1 4.41Å; P438-I441 HydrophobicContact CG-CG1 3.82Å; P438-V493 CarbonylContact C-O 3.57Å; P438-V493 VanDerWaalsContact CA-O 3.26Å; P438-V493 WeakPolarHBondContact CA-O 3.48Å; P438-V493 HydrophobicContact CB-CG1 4.49Å; P438-L496 HydrophobicContact CB-CB 3.79Å; P438-L496 HydrophobicContact CG-CB 3.93Å; P438-L496 HydrophobicContact CG-CD2 4.43Å; P438-V521 HydrophobicContact CG-CG2 4.41Å; P438-V521 WeakPolarHBondContact O-CG2 3.3Å
439T94.6Very high89.8Confident3 Ų346.6 Ų46.62%0.01825%0.245CC..EExtended strand (participates in β ladder)trans-73.1-33.5162.4-54.90000111.1D427 V493 G494 V521 K522 C523D427-T439 HydrophobicContact CB-CG2 3.7Å; T439-V493 PolarHBondContact N-O 3.47Å; T439-G494 WeakPolarHBondContact CA-O 3.4Å; T439-G494 WeakPolarHBondContact CB-O 3.39Å; T439-G494 PolarHBondContact N-O 2.86Å; T439-V521 CarbonylContact O-C 3.53Å; T439-V521 WeakPolarHBondContact O-CA 3.11Å; T439-K522 HydrophobicContact CG2-CB 4.21Å; T439-K522 HydrophobicContact CG2-CG 4.03Å; T439-K522 PolarHBondContact O-N 3.04Å; T439-C523 PolarHBondContact O-N 2.94Å
440C96.6Very high90.1Very high0 Ų043.4 Ų43.40%023%0.23CC..EExtended strand (participates in β ladder)trans-131136.5178.9177.80000112.5V420 S424 P438 G494 I495 L496 C523V420-C440 HydrophobicContact CG1-CB 4.4Å; V420-C440 VanDerWaalsContact CG1-SG 3.58Å; S424-C440 WeakPolarHBondContact OG-CB 3.42Å; P438-C440 WeakPolarHBondContact CB-O 3.33Å; C440-G494 PolarHBondContact N-O 3.15Å; C440-I495 HydrophobicContact CB-CG1 4.27Å; C440-I495 HydrophobicContact CB-CG2 4.4Å; C440-I495 CarbonylContact O-C 3.56Å; C440-I495 WeakPolarHBondContact O-CA 3.26Å; C440-L496 PolarHBondContact O-N 3.02Å; C440-C523 VanDerWaalsContact CA-O 3.3Å; C440-C523 WeakPolarHBondContact CA-O 3.33Å; C440-C523 HydrophobicContact CB-CB 4.07Å
441I97.4Very high90.3Very high1 Ų140.5 Ų40.51%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-105.9116.4169.9-57.5176.1000108.9P438 V443 L503 F516 V521 C523 I524 A525 F551P438-I441 HydrophobicContact CG-CD1 4.41Å; P438-I441 HydrophobicContact CG-CG1 3.82Å; I441-V443 HydrophobicContact CG2-CG2 4.15Å; I441-L503 HydrophobicContact CG2-CD1 4.12Å; I441-L503 HydrophobicContact CG2-CD2 3.83Å; I441-F516 HydrophobicContact CD1-CE2 4.05Å; I441-F516 HydrophobicContact CD1-CZ 3.81Å; I441-V521 HydrophobicContact CD1-CG1 4.18Å; I441-V521 HydrophobicContact CD1-CG2 4.09Å; I441-V521 HydrophobicContact CG1-CG1 4.1Å; I441-V521 HydrophobicContact CG1-CG2 4.35Å; I441-C523 PolarHBondContact N-O 3.44Å; I441-I524 HydrophobicContact CB-CG1 4.41Å; I441-I524 CarbonylContact O-C 3.51Å; I441-I524 VanDerWaalsContact O-CA 3.31Å; I441-I524 WeakPolarHBondContact O-CA 3.45Å; I441-A525 PolarHBondContact O-N 3.01Å; I441-F551 HydrophobicContact CD1-CE1 4.43Å; I441-F551 HydrophobicContact CD1-CZ 3.84Å
442F98.4Very high90.6Very high0 Ų043.7 Ų43.70%024%0.238CC..EExtended strand (participates in β ladder)trans-109.1119.5178.5-156.9-63.5000109.9T413 Y416 L417 V420 I453 M457 I495 L496 L497 T498 A525 D527T413-F442 HydrophobicContact CG2-CZ 3.99Å; Y416-F442 AromaticContact CE2-CE2 3.85Å; Y416-F442 HydrophobicContact CE2-CE2 3.85Å; Y416-F442 AromaticContact CE2-CZ 3.93Å; Y416-F442 HydrophobicContact CE2-CZ 3.93Å; L417-F442 HydrophobicContact CD1-CE2 4.02Å; V420-F442 HydrophobicContact CG1-CD2 4.48Å; F442-I453 HydrophobicContact CE1-CD1 3.78Å; F442-I453 HydrophobicContact CE1-CG2 4.09Å; F442-I453 HydrophobicContact CE2-CG2 4.43Å; F442-I453 HydrophobicContact CZ-CD1 4.19Å; F442-I453 HydrophobicContact CZ-CG2 4.04Å; F442-M457 HydrophobicContact CB-CE 4.04Å; F442-M457 HydrophobicContact CD1-CE 4.44Å; F442-M457 HydrophobicContact CD2-CE 3.26Å; F442-M457 HydrophobicContact CE2-CE 3.76Å; F442-M457 HydrophobicContact CG-CE 3.66Å; F442-I495 HydrophobicContact CB-CG2 4.02Å; F442-L496 PolarHBondContact N-O 2.96Å; F442-L497 HydrophobicContact CB-CB 4.4Å; F442-L497 HydrophobicContact CB-CD1 3.87Å; F442-L497 HydrophobicContact CD1-CD1 3.48Å; F442-L497 VanDerWaalsContact CD1-CD1 3.48Å; F442-L497 HydrophobicContact CE1-CD1 4.34Å; F442-L497 HydrophobicContact CG-CD1 3.91Å; F442-L497 WeakPolarHBondContact O-CA 3.33Å; F442-T498 PolarHBondContact O-N 2.87Å; F442-A525 HydrophobicContact CD1-CB 4.39Å; F442-A525 HydrophobicContact CD2-CB 3.54Å; F442-A525 HydrophobicContact CE2-CB 3.72Å; F442-A525 HydrophobicContact CG-CB 3.91Å; F442-A525 HydrophobicContact CZ-CB 4.2Å; F442-D527 HydrophobicContact CE1-CB 3.72Å; F442-D527 HydrophobicContact CZ-CB 4Å
443V98Very high91.2Very high0 Ų039.7 Ų39.70%021%0.212CC..EExtended strand (participates in β ladder)trans-111.9133.6179.5-1680000109.3I441 T498 V500 L503 A525 L526 D527 M532I441-V443 HydrophobicContact CG2-CG2 4.15Å; V443-T498 WeakPolarHBondContact CA-O 3.41Å; V443-V500 HydrophobicContact CG1-CG2 3.72Å; V443-L503 HydrophobicContact CG2-CD2 3.64Å; V443-A525 PolarHBondContact N-O 3.16Å; V443-L526 HydrophobicContact CB-CD2 3.87Å; V443-L526 HydrophobicContact CG2-CD2 3.91Å; V443-D527 PolarHBondContact O-N 2.89Å; V443-M532 HydrophobicContact CB-CE 4.11Å; V443-M532 HydrophobicContact CG1-CE 4.01Å; V443-M532 HydrophobicContact CG1-SD 4Å; V443-M532 WeakPolarHBondContact O-CE 3.34Å
444C95.2Very high92Very high0 Ų036 Ų360%019%0.19CC..  trans-132.9167.1173.474.70000111N446 G450 I453 W477 T498C444-N446 PolarHBondContact O-N 2.56Å; C444-N446 PolarHBondContact SG-O 3.46Å; C444-N446 VanDerWaalsContact SG-O 3.37Å; C444-G450 VanDerWaalsContact SG-CA 3.5Å; C444-I453 HydrophobicContact CB-CD1 4.26Å; C444-W477 WeakPolarHBondContact SG-CH2 3.47Å; C444-T498 PolarHBondContact N-O 3.06Å
445P89Confident92.6Very high9 Ų938.8 Ų38.86%0.05819%0.187CC..SBendtrans-74.3-21.9-169.9-16.431.6000114.9D527 N528 D531 M532P445-D527 WeakPolarHBondContact CD-O 3.42Å; P445-N528 HydrophobicContact CG-CB 3.89Å; P445-D531 HydrophobicContact CB-CB 3.72Å; P445-D531 HydrophobicContact CG-CB 3.54Å; P445-M532 HydrophobicContact CB-CG 4.23Å; P445-M532 HydrophobicContact CG-CG 4.05Å
446N86.7Confident93.2Very high70 Ų7041.2 Ų41.237%0.37419%0.193SC..SBendtrans-166.1160.9-1795774.8000112.1C444 G448 Q449 G450C444-N446 PolarHBondContact O-N 2.56Å; C444-N446 PolarHBondContact SG-O 3.46Å; C444-N446 VanDerWaalsContact SG-O 3.37Å; N446-G448 PolarHBondContact O-N 3.33Å; N446-G448 VanDerWaalsContact O-N 3.13Å; N446-G448 WeakPolarHBondContact OD1-CA 3.37Å; N446-G448 PolarHBondContact OD1-N 2.95Å; N446-Q449 PolarHBondContact O-N 2.9Å; N446-Q449 PolarHBondContact OD1-N 2.99Å; N446-G450 PolarHBondContact O-N 3.46Å
447Q88.9Confident93.4Very high82 Ų8235.8 Ų35.838%0.38317%0.172SC..Hα-helixtrans-54.8-30.1177-175-169.380.300113.6G450 K451 W477Q447-G450 PolarHBondContact O-N 3.47Å; Q447-K451 VanDerWaalsContact CD-CE 3.42Å; Q447-K451 HydrophobicContact CG-CD 3.87Å; Q447-K451 HydrophobicContact CG-CG 4.11Å; Q447-K451 WeakPolarHBondContact O-CB 3.41Å; Q447-K451 WeakPolarHBondContact O-CG 3.26Å; Q447-K451 PolarHBondContact O-N 2.94Å; Q447-W477 HydrophobicContact CB-CB 4.4Å; Q447-W477 HydrophobicContact CB-CD2 4.07Å; Q447-W477 HydrophobicContact CB-CE3 4.02Å; Q447-W477 HydrophobicContact CB-CG 4.25Å; Q447-W477 HydrophobicContact CG-CB 3.92Å; Q447-W477 HydrophobicContact CG-CD2 3.84Å; Q447-W477 HydrophobicContact CG-CE3 4.32Å; Q447-W477 HydrophobicContact CG-CG 3.64Å
448G88.3Confident93.5Very high51 Ų5138.8 Ų38.853%0.52619%0.193SC..Hα-helixtrans-64.8-49.5179.900000112.4N446N446-G448 PolarHBondContact O-N 3.33Å; N446-G448 VanDerWaalsContact O-N 3.13Å; N446-G448 WeakPolarHBondContact OD1-CA 3.37Å; N446-G448 PolarHBondContact OD1-N 2.95Å
449Q88Confident93.3Very high40 Ų4041.6 Ų41.619%0.18721%0.21CC..Hα-helixtrans-66.2-40.5170.8-65.1-173.917.200110.8N446 K451 Q452 I453 N528N446-Q449 PolarHBondContact O-N 2.9Å; N446-Q449 PolarHBondContact OD1-N 2.99Å; Q449-K451 PolarHBondContact O-N 3.03Å; Q449-Q452 WeakPolarHBondContact O-CB 3.23Å; Q449-Q452 PolarHBondContact O-N 3.08Å; Q449-Q452 VanDerWaalsContact O-N 3.08Å; Q449-I453 WeakPolarHBondContact O-CG1 3.2Å; Q449-I453 PolarHBondContact O-N 2.72Å; Q449-N528 PolarHBondContact OE1-ND2 3.27Å
450G93.6Very high93.3Very high0 Ų041.4 Ų41.40%021%0.209CC..Hα-helixtrans-52.3-53.6176.600000113.7C444 N446 Q447 Q452 I453 E454 W477C444-G450 VanDerWaalsContact SG-CA 3.5Å; N446-G450 PolarHBondContact O-N 3.46Å; Q447-G450 PolarHBondContact O-N 3.47Å; G450-Q452 PolarHBondContact O-N 2.59Å; G450-I453 PolarHBondContact O-N 2.84Å; G450-I453 VanDerWaalsContact O-N 3.08Å; G450-E454 VanDerWaalsContact O-CB 3.31Å; G450-E454 WeakPolarHBondContact O-CB 3.49Å; G450-E454 PolarHBondContact O-N 3.09Å; G450-W477 VanDerWaalsContact CA-CH2 3.45Å; G450-W477 VanDerWaalsContact CA-CZ2 3.43Å
451K93.3Very high93Very high91 Ų9141.9 Ų41.940%0.39621%0.212SC..Hα-helixtrans-62.2-23.8177.4-76.8172.9171.5169.40113.9Q447 Q449 R455Q447-K451 VanDerWaalsContact CD-CE 3.42Å; Q447-K451 HydrophobicContact CG-CD 3.87Å; Q447-K451 HydrophobicContact CG-CG 4.11Å; Q447-K451 WeakPolarHBondContact O-CB 3.41Å; Q447-K451 WeakPolarHBondContact O-CG 3.26Å; Q447-K451 PolarHBondContact O-N 2.94Å; Q449-K451 PolarHBondContact O-N 3.03Å; K451-R455 WeakPolarHBondContact O-CD 3.35Å; K451-R455 VanDerWaalsContact O-CG 3.3Å; K451-R455 WeakPolarHBondContact O-CG 3.41Å; K451-R455 PolarHBondContact O-N 2.88Å
452Q93.1Very high92.5Very high103 Ų10346.4 Ų46.448%0.48124%0.242SC..Hα-helixtrans-76.9-42.5172.7-173.3174.126.500111.3Q449 G450 R455 W456Q449-Q452 WeakPolarHBondContact O-CB 3.23Å; Q449-Q452 PolarHBondContact O-N 3.08Å; Q449-Q452 VanDerWaalsContact O-N 3.08Å; G450-Q452 PolarHBondContact O-N 2.59Å; Q452-R455 PolarHBondContact O-N 2.86Å; Q452-W456 HydrophobicContact CG-CD2 4.45Å; Q452-W456 HydrophobicContact CG-CH2 3.84Å; Q452-W456 HydrophobicContact CG-CZ2 3.66Å; Q452-W456 HydrophobicContact CG-CZ3 4.32Å; Q452-W456 PolarHBondContact O-N 3.07Å
453I95.6Very high91.7Very high4 Ų449.4 Ų49.42%0.02126%0.258CS..Hα-helixtrans-68.1-41.1177.7-63.9171.5000110.8T413 L417 F442 C444 Q449 G450 R455 W456 M457 L497T413-I453 HydrophobicContact CG2-CD1 4.14Å; T413-I453 HydrophobicContact CG2-CG1 4.22Å; L417-I453 HydrophobicContact CD1-CG2 4.32Å; F442-I453 HydrophobicContact CE1-CD1 3.78Å; F442-I453 HydrophobicContact CE1-CG2 4.09Å; F442-I453 HydrophobicContact CE2-CG2 4.43Å; F442-I453 HydrophobicContact CZ-CD1 4.19Å; F442-I453 HydrophobicContact CZ-CG2 4.04Å; C444-I453 HydrophobicContact CB-CD1 4.26Å; Q449-I453 WeakPolarHBondContact O-CG1 3.2Å; Q449-I453 PolarHBondContact O-N 2.72Å; G450-I453 PolarHBondContact O-N 2.84Å; G450-I453 VanDerWaalsContact O-N 3.08Å; I453-R455 VanDerWaalsContact C-N 3.34Å; I453-R455 PolarHBondContact O-N 3.13Å; I453-W456 HydrophobicContact CG1-CE3 4.13Å; I453-W456 HydrophobicContact CG1-CZ3 4.09Å; I453-W456 PolarHBondContact O-N 2.67Å; I453-W456 VanDerWaalsContact O-N 3.12Å; I453-M457 HydrophobicContact CG2-CE 3.71Å; I453-M457 HydrophobicContact CG2-CG 4.31Å; I453-M457 HydrophobicContact CG2-SD 4.13Å; I453-M457 WeakPolarHBondContact O-CG 3.4Å; I453-M457 PolarHBondContact O-N 3.32Å; I453-L497 HydrophobicContact CB-CD2 4.45Å; I453-L497 HydrophobicContact CG2-CD1 4.39Å; I453-L497 HydrophobicContact CG2-CD2 4.28Å
454E95.6Very high91Very high49 Ų4951.3 Ų51.323%0.22927%0.268CS..Hα-helixtrans-51.9-48.1172.8-177.4172.2-14900111.6G450 W456 M457 S458 T475 L497G450-E454 VanDerWaalsContact O-CB 3.31Å; G450-E454 WeakPolarHBondContact O-CB 3.49Å; G450-E454 PolarHBondContact O-N 3.09Å; E454-W456 PolarHBondContact O-N 3.34Å; E454-M457 PolarHBondContact O-N 3.38Å; E454-S458 PolarHBondContact O-N 3.04Å; E454-S458 PolarHBondContact O-OG 2.91Å; E454-S458 VanDerWaalsContact O-OG 3.12Å; E454-T475 HydrophobicContact CB-CG2 4.44Å; E454-T475 VanDerWaalsContact CD-CG2 3.47Å; E454-T475 HydrophobicContact CG-CG2 3.82Å; E454-T475 WeakPolarHBondContact OE1-CB 3.27Å; E454-T475 WeakPolarHBondContact OE1-CG2 3.3Å; E454-T475 PolarHBondContact OE1-OG1 2.87Å; E454-L497 HydrophobicContact CB-CD2 3.89Å
455R93.9Very high89.9Confident186 Ų18653.1 Ų53.170%0.70229%0.287SS*.Hα-helixtrans-60.6-44.5175.7-70.6167.5-177.1-174.7-0.4112.5K451 Q452 I453 S458 T459K451-R455 WeakPolarHBondContact O-CD 3.35Å; K451-R455 VanDerWaalsContact O-CG 3.3Å; K451-R455 WeakPolarHBondContact O-CG 3.41Å; K451-R455 PolarHBondContact O-N 2.88Å; Q452-R455 PolarHBondContact O-N 2.86Å; I453-R455 VanDerWaalsContact C-N 3.34Å; I453-R455 PolarHBondContact O-N 3.13Å; R455-S458 PolarHBondContact O-N 3.37Å; R455-T459 PolarHBondContact O-N 3.41Å; R455-T459 VanDerWaalsContact O-N 3.11Å; R455-T459 PolarHBondContact O-OG1 2.73Å
456W94.7Very high88.8Confident63 Ų6355.5 Ų55.524%0.23930%0.303CS..Hα-helixtrans-65.3-40.4176.9-63.1-30.7000112.2T413 W414 L417 Q452 I453 E454 T459 L460T413-W456 HydrophobicContact CG2-CZ3 4.38Å; W414-W456 HydrophobicContact CH2-CB 4.15Å; W414-W456 HydrophobicContact CH2-CG 4.3Å; W414-W456 HydrophobicContact CZ2-CB 3.87Å; W414-W456 AromaticContact CZ2-CD1 3.74Å; W414-W456 AromaticContact CZ2-CD2 3.81Å; W414-W456 HydrophobicContact CZ2-CD2 3.81Å; W414-W456 HydrophobicContact CZ2-CE3 4.43Å; W414-W456 AromaticContact CZ2-CG 3.55Å; W414-W456 HydrophobicContact CZ2-CG 3.55Å; W414-W456 AromaticContact NE1-CD2 3.87Å; W414-W456 AromaticContact NE1-CE2 3.82Å; W414-W456 AromaticContact NE1-CE3 3.95Å; W414-W456 AromaticContact NE1-CZ2 3.89Å; L417-W456 HydrophobicContact CD2-CB 3.75Å; L417-W456 HydrophobicContact CD2-CE3 4.02Å; Q452-W456 HydrophobicContact CG-CD2 4.45Å; Q452-W456 HydrophobicContact CG-CH2 3.84Å; Q452-W456 HydrophobicContact CG-CZ2 3.66Å; Q452-W456 HydrophobicContact CG-CZ3 4.32Å; Q452-W456 PolarHBondContact O-N 3.07Å; I453-W456 HydrophobicContact CG1-CE3 4.13Å; I453-W456 HydrophobicContact CG1-CZ3 4.09Å; I453-W456 PolarHBondContact O-N 2.67Å; I453-W456 VanDerWaalsContact O-N 3.12Å; E454-W456 PolarHBondContact O-N 3.34Å; W456-T459 PolarHBondContact O-N 3.34Å; W456-L460 VanDerWaalsContact O-CG 3.26Å; W456-L460 WeakPolarHBondContact O-CG 3.45Å; W456-L460 PolarHBondContact O-N 3.27Å
457M95.4Very high87.6Confident0 Ų056.9 Ų56.90%033%0.325CS..Hα-helixtrans-59.3-51.6173.9-72.4176.8169.400110.7L417 F442 I453 E454 T459 L460 L461 V473 I495 L497L417-M457 HydrophobicContact CD1-CE 3.67Å; L417-M457 HydrophobicContact CD1-CG 3.83Å; F442-M457 HydrophobicContact CB-CE 4.04Å; F442-M457 HydrophobicContact CD1-CE 4.44Å; F442-M457 HydrophobicContact CD2-CE 3.26Å; F442-M457 HydrophobicContact CE2-CE 3.76Å; F442-M457 HydrophobicContact CG-CE 3.66Å; I453-M457 HydrophobicContact CG2-CE 3.71Å; I453-M457 HydrophobicContact CG2-CG 4.31Å; I453-M457 HydrophobicContact CG2-SD 4.13Å; I453-M457 WeakPolarHBondContact O-CG 3.4Å; I453-M457 PolarHBondContact O-N 3.32Å; E454-M457 PolarHBondContact O-N 3.38Å; M457-T459 VanDerWaalsContact C-N 3.32Å; M457-T459 PolarHBondContact O-N 3.17Å; M457-L460 PolarHBondContact O-N 3.11Å; M457-L460 VanDerWaalsContact O-N 3.09Å; M457-L461 HydrophobicContact CB-CD1 4.11Å; M457-L461 WeakPolarHBondContact O-CB 3.41Å; M457-L461 WeakPolarHBondContact O-CD1 3.5Å; M457-L461 VanDerWaalsContact O-CG 3.26Å; M457-L461 WeakPolarHBondContact O-CG 3.43Å; M457-L461 PolarHBondContact O-N 2.86Å; M457-V473 HydrophobicContact CB-CG2 4.12Å; M457-V473 HydrophobicContact SD-CG1 4.36Å; M457-I495 HydrophobicContact CE-CD1 4.03Å; M457-I495 HydrophobicContact CE-CG2 3.92Å; M457-I495 HydrophobicContact CG-CD1 4.38Å; M457-I495 HydrophobicContact SD-CD1 3.99Å; M457-I495 HydrophobicContact SD-CG2 4.14Å; M457-L497 HydrophobicContact SD-CD2 3.98Å
458S92.2Very high86.5Confident63 Ų6354.5 Ų54.544%0.44132%0.317SS..Hα-helixtrans-58.2-40.3179.7-610000112.8E454 R455 C462E454-S458 PolarHBondContact O-N 3.04Å; E454-S458 PolarHBondContact O-OG 2.91Å; E454-S458 VanDerWaalsContact O-OG 3.12Å; R455-S458 PolarHBondContact O-N 3.37Å; S458-C462 WeakPolarHBondContact O-CB 3.49Å; S458-C462 PolarHBondContact O-N 3.4Å
459T91.1Very high85.8Confident58 Ų5855.6 Ų55.636%0.35633%0.328SS..Hα-helixtrans-69-36175.6-52.30000113M378 R455 W456 M457M378-T459 HydrophobicContact CE-CG2 3.75Å; M378-T459 HydrophobicContact CG-CG2 3.9Å; M378-T459 HydrophobicContact SD-CG2 3.72Å; R455-T459 PolarHBondContact O-N 3.41Å; R455-T459 VanDerWaalsContact O-N 3.11Å; R455-T459 PolarHBondContact O-OG1 2.73Å; W456-T459 PolarHBondContact O-N 3.34Å; M457-T459 VanDerWaalsContact C-N 3.32Å; M457-T459 PolarHBondContact O-N 3.17Å
460L93.3Very high85.6Confident0 Ų055.2 Ų55.20%033%0.326CS..Hα-helixtrans-67.9-41175.4-71.1167.5000112.3I371 A374 M375 M378 W414 L417 C421 W456 M457I371-L460 HydrophobicContact CD1-CB 3.94Å; I371-L460 HydrophobicContact CD1-CD2 3.99Å; I371-L460 WeakPolarHBondContact CD1-O 3.47Å; I371-L460 HydrophobicContact CG2-CD2 4.22Å; A374-L460 HydrophobicContact CB-CD2 4.06Å; M375-L460 HydrophobicContact CG-CD2 3.94Å; M378-L460 HydrophobicContact CE-CD2 3.78Å; M378-L460 HydrophobicContact CE-CG 3.93Å; W414-L460 HydrophobicContact CH2-CD1 4.18Å; W414-L460 HydrophobicContact CH2-CD2 4.47Å; W414-L460 HydrophobicContact CH2-CG 4.44Å; W414-L460 HydrophobicContact CZ3-CD1 4Å; W414-L460 HydrophobicContact CZ3-CD2 4.19Å; W414-L460 HydrophobicContact CZ3-CG 4.47Å; L417-L460 HydrophobicContact CD2-CD1 4.17Å; L417-L460 HydrophobicContact CG-CD1 3.88Å; C421-L460 HydrophobicContact CB-CB 3.88Å; C421-L460 HydrophobicContact CB-CD1 4.11Å; C421-L460 VanDerWaalsContact SG-CD1 3.53Å; W456-L460 VanDerWaalsContact O-CG 3.26Å; W456-L460 WeakPolarHBondContact O-CG 3.45Å; W456-L460 PolarHBondContact O-N 3.27Å; M457-L460 PolarHBondContact O-N 3.11Å; M457-L460 VanDerWaalsContact O-N 3.09Å
461L91.8Very high85.5Confident9 Ų958.7 Ų58.75%0.04734%0.342CS..Hα-helixtrans-81.6-36.8-173.9-66.4160.5000112.1C421 H425 M457 L463 L464 D472 V473 I495C421-L461 HydrophobicContact CB-CD2 3.89Å; C421-L461 HydrophobicContact CB-CG 4.04Å; C421-L461 WeakPolarHBondContact O-CD2 3.5Å; H425-L461 HydrophobicContact CB-CD2 3.83Å; M457-L461 HydrophobicContact CB-CD1 4.11Å; M457-L461 WeakPolarHBondContact O-CB 3.41Å; M457-L461 WeakPolarHBondContact O-CD1 3.5Å; M457-L461 VanDerWaalsContact O-CG 3.26Å; M457-L461 WeakPolarHBondContact O-CG 3.43Å; M457-L461 PolarHBondContact O-N 2.86Å; L461-L463 VanDerWaalsContact C-N 3.26Å; L461-L463 PolarHBondContact O-N 2.94Å; L461-L464 HydrophobicContact CD2-CD1 4.36Å; L461-L464 WeakPolarHBondContact O-CB 3.48Å; L461-L464 PolarHBondContact O-N 2.96Å; L461-D472 HydrophobicContact CD1-CB 4.19Å; L461-V473 HydrophobicContact CD1-CG2 3.36Å; L461-I495 HydrophobicContact CD1-CD1 4.29Å
462C87Confident85.4Confident96 Ų9655.7 Ų55.765%0.64933%0.33SS*.Hα-helixtrans-53.8-39179.5-179.70000113.1S458 L464 G465S458-C462 WeakPolarHBondContact O-CB 3.49Å; S458-C462 PolarHBondContact O-N 3.4Å; C462-L464 VanDerWaalsContact C-N 3.33Å; C462-L464 PolarHBondContact O-N 3Å; C462-G465 PolarHBondContact O-N 3.48Å
463L81.6Confident85.5Confident64 Ų6452.1 Ų52.134%0.33532%0.316SS..THydrogen-bonded Turntrans-75.4-16.1178.9-59.7-162.1000114.4I370 R373 A374 L461 G465I370-L463 VanDerWaalsContact CG2-C 3.45Å; I370-L463 HydrophobicContact CG2-CB 3.59Å; I370-L463 WeakPolarHBondContact CG2-O 3.36Å; R373-L463 HydrophobicContact CG-CD1 4.47Å; A374-L463 HydrophobicContact CB-CD1 3.81Å; A374-L463 HydrophobicContact CB-CG 4.28Å; L461-L463 VanDerWaalsContact C-N 3.26Å; L461-L463 PolarHBondContact O-N 2.94Å; L463-G465 VanDerWaalsContact C-N 3.32Å
464L83.5Confident85.5Confident39 Ų3952 Ų5220%0.20432%0.315CS..THydrogen-bonded Turntrans-78.2-19.9172.9-66170.7000111.9I370 I371 H425 L461 C462I370-L464 HydrophobicContact CB-CD2 4.07Å; I370-L464 HydrophobicContact CD1-CD2 4.25Å; I370-L464 HydrophobicContact CG2-CD2 3.84Å; I370-L464 HydrophobicContact CG2-CG 4.29Å; I371-L464 HydrophobicContact CD1-CD1 4.13Å; I371-L464 HydrophobicContact CD1-CG 4.45Å; I371-L464 HydrophobicContact CG1-CD1 4.46Å; I371-L464 HydrophobicContact CG1-CD2 4.34Å; H425-L464 HydrophobicContact CB-CD1 3.94Å; L461-L464 HydrophobicContact CD2-CD1 4.36Å; L461-L464 WeakPolarHBondContact O-CB 3.48Å; L461-L464 PolarHBondContact O-N 2.96Å; C462-L464 VanDerWaalsContact C-N 3.33Å; C462-L464 PolarHBondContact O-N 3Å
465G71.9Confident85.5Confident38 Ų3850.8 Ų50.839%0.39231%0.311SS..  trans74.3-173.2-168.800000112.1H425 C462 L463H425-G465 PolarHBondContact CE1-O 3.4Å; C462-G465 PolarHBondContact O-N 3.48Å; L463-G465 VanDerWaalsContact C-N 3.32Å
466S65.9Low85.5Confident59 Ų5942 Ų4241%0.41328%0.278SS..  trans-147.9107.8170.7-162.90000109.7D472S466-D472 WeakPolarHBondContact CB-OD2 3.43Å; S466-D472 PolarHBondContact OG-OD2 3.5Å
467A61.5Low85.4Confident99 Ų9940.6 Ų40.682%0.81827%0.273SS*.SBendtrans-89.8-30.1179.900000112G469A467-G469 VanDerWaalsContact C-N 3.34Å; A467-G469 PolarHBondContact O-N 3.41Å
468S65.1Low85Confident33 Ų3343.7 Ų43.723%0.23129%0.289CS..SBendtrans-71.4-15.9-177.563.70000116.2Q429 F470Q429-S468 PolarHBondContact NE2-OG 3.15Å; Q429-S468 VanDerWaalsContact NE2-OG 3.12Å; Q429-S468 VanDerWaalsContact OE1-CB 3.27Å; Q429-S468 PolarHBondContact OE1-OG 2.77Å; S468-F470 PolarHBondContact O-N 2.96Å; S468-F470 VanDerWaalsContact O-N 3.13Å; S468-F470 PolarHBondContact OG-N 3.41Å
469G72.9Confident84.5Confident73 Ų7345.7 Ų45.775%0.75329%0.29SS*.  trans65.48.5-174.400000115.4A467A467-G469 VanDerWaalsContact C-N 3.34Å; A467-G469 PolarHBondContact O-N 3.41Å
470F85.1Confident84.2Confident32 Ų3248.2 Ų48.214%0.1431%0.306CS..SBendtrans-88.9164.2174.6-61.2-47.5000112.3L428 D433 S468 D472 P492L428-F470 HydrophobicContact CD1-CB 3.88Å; L428-F470 HydrophobicContact CD1-CD2 3.89Å; L428-F470 HydrophobicContact CD1-CG 4.23Å; L428-F470 HydrophobicContact CD2-CB 4.04Å; L428-F470 HydrophobicContact CG-CB 4.19Å; L428-F470 HydrophobicContact CG-CD2 4.34Å; D433-F470 HydrophobicContact CB-CZ 4.28Å; S468-F470 PolarHBondContact O-N 2.96Å; S468-F470 VanDerWaalsContact O-N 3.13Å; S468-F470 PolarHBondContact OG-N 3.41Å; F470-D472 PolarHBondContact O-N 2.84Å; F470-P492 HydrophobicContact CD1-CB 4.33Å; F470-P492 HydrophobicContact CD1-CG 4.36Å; F470-P492 HydrophobicContact CD2-CB 3.79Å; F470-P492 HydrophobicContact CD2-CG 4.14Å; F470-P492 HydrophobicContact CE1-CG 4.07Å; F470-P492 HydrophobicContact CE2-CB 3.99Å; F470-P492 HydrophobicContact CE2-CG 3.83Å; F470-P492 HydrophobicContact CG-CB 4.01Å; F470-P492 HydrophobicContact CG-CG 4.43Å; F470-P492 HydrophobicContact CZ-CB 4.38Å; F470-P492 HydrophobicContact CZ-CG 3.82Å
471E90.7Very high83.9Confident73 Ų7352.4 Ų52.434%0.34133%0.325SS..EExtended strand (participates in β ladder)trans-79.2111.9178.7-59.1-169.3-103.700110.7V473 V474 R488 V493 G494E471-V473 VanDerWaalsContact C-N 3.28Å; E471-V473 PolarHBondContact O-N 2.81Å; E471-V474 HydrophobicContact CB-CG2 3.93Å; E471-R488 WeakPolarHBondContact OE1-CB 3.38Å; E471-R488 WeakPolarHBondContact OE1-CG 3.44Å; E471-R488 IonicContact OE1-CZ 2.72Å; E471-R488 IonicContact OE1-NE 3.74Å; E471-R488 PolarHBondContact OE1-NE 3.34Å; E471-R488 IonicContact OE1-NH2 3.48Å; E471-R488 IonicContact OE2-CZ 3.24Å; E471-R488 VanDerWaalsContact OE2-CZ 3.26Å; E471-R488 IonicContact OE2-NE 2.99Å; E471-R488 PolarHBondContact OE2-NE 2.79Å; E471-R488 VanDerWaalsContact OE2-NE 3.08Å; E471-R488 IonicContact OE2-NH2 3.1Å; E471-R488 PolarHBondContact OE2-NH2 2.94Å; E471-V493 WeakPolarHBondContact O-CA 3.47Å; E471-G494 PolarHBondContact O-N 2.69Å
472D91.4Very high83.6Confident28 Ų2852.9 Ų52.915%0.1533%0.328CS..EExtended strand (participates in β ladder)trans-63.8-31.5176.3-70.3-84.1000112.9H425 L461 S466 F470 G494 I495H425-D472 IonicContact CE1-OD1 2.74Å; H425-D472 IonicContact CG-OD1 2.72Å; H425-D472 IonicContact ND1-OD1 2.94Å; H425-D472 PolarHBondContact ND1-OD1 2.94Å; L461-D472 HydrophobicContact CD1-CB 4.19Å; S466-D472 WeakPolarHBondContact CB-OD2 3.43Å; S466-D472 PolarHBondContact OG-OD2 3.5Å; F470-D472 PolarHBondContact O-N 2.84Å; D472-G494 CarbonylContact O-C 3.54Å; D472-G494 WeakPolarHBondContact O-CA 3.23Å; D472-I495 PolarHBondContact O-N 3.02Å
473V94.9Very high83.7Confident29 Ų2953.7 Ų53.718%0.17633%0.33CS..EExtended strand (participates in β ladder)trans-138.8127.8174.6-169.90000111.2M457 L461 E471 T475 I495M457-V473 HydrophobicContact CB-CG2 4.12Å; M457-V473 HydrophobicContact SD-CG1 4.36Å; L461-V473 HydrophobicContact CD1-CG2 3.36Å; E471-V473 VanDerWaalsContact C-N 3.28Å; E471-V473 PolarHBondContact O-N 2.81Å; V473-T475 HydrophobicContact CG1-CG2 3.81Å; V473-I495 CarbonylContact C-O 3.59Å; V473-I495 WeakPolarHBondContact CA-O 3.29Å
474V95.2Very high84.1Confident0 Ų053.2 Ų53.20%033%0.327CS..EExtended strand (participates in β ladder)trans-113.1121.7166.8172.20000108.4E471 I485 R488 V493 I495 L496 L497E471-V474 HydrophobicContact CB-CG2 3.93Å; V474-I485 HydrophobicContact CG1-CD1 3.87Å; V474-I485 HydrophobicContact CG1-CG2 4.34Å; V474-R488 HydrophobicContact CG2-CB 4.46Å; V474-V493 HydrophobicContact CB-CG1 4.04Å; V474-V493 HydrophobicContact CG2-CB 4.45Å; V474-V493 HydrophobicContact CG2-CG1 3.63Å; V474-V493 HydrophobicContact CG2-CG2 3.88Å; V474-I495 PolarHBondContact N-O 3.18Å; V474-L496 HydrophobicContact CG1-CD1 4.32Å; V474-L496 WeakPolarHBondContact O-CA 3.46Å; V474-L497 PolarHBondContact O-N 3.19Å
475T96.1Very high84.5Confident25 Ų2551.4 Ų51.415%0.15332%0.318CS..EExtended strand (participates in β ladder)trans-104.7137.4177.362.10000111.8E454 V473 I485 L497E454-T475 HydrophobicContact CB-CG2 4.44Å; E454-T475 VanDerWaalsContact CD-CG2 3.47Å; E454-T475 HydrophobicContact CG-CG2 3.82Å; E454-T475 WeakPolarHBondContact OE1-CB 3.27Å; E454-T475 WeakPolarHBondContact OE1-CG2 3.3Å; E454-T475 PolarHBondContact OE1-OG1 2.87Å; V473-T475 HydrophobicContact CG1-CG2 3.81Å; T475-I485 WeakPolarHBondContact O-CD1 3.3Å; T475-L497 WeakPolarHBondContact CA-O 3.35Å; T475-L497 HydrophobicContact CG2-CB 4.08Å; T475-L497 HydrophobicContact CG2-CD2 4.05Å; T475-L497 HydrophobicContact CG2-CG 4.34Å
476H94.6Very high85.4Confident0 Ų050.8 Ų50.80%031%0.306CS..  trans-129.5110.2-179.5178.735.4000110D478 I485 L496 L497 T498 L502H476-D478 PolarHBondContact CE1-O 3.31Å; H476-D478 PolarHBondContact ND1-O 3.28Å; H476-I485 HydrophobicContact CB-CD1 4.17Å; H476-I485 HydrophobicContact CB-CG1 3.96Å; H476-I485 HydrophobicContact CB-CG2 4.14Å; H476-L496 HydrophobicContact CB-CD1 4.41Å; H476-L497 PolarHBondContact N-O 3.1Å; H476-T498 WeakPolarHBondContact O-CB 3.43Å; H476-T498 PolarHBondContact O-OG1 2.83Å; H476-L502 WeakPolarHBondContact O-CD1 3.19Å
477W92.1Very high86.5Confident35 Ų3554.6 Ų54.613%0.13331%0.312CS..  trans-129.4-7.6-175.4-56.2123.4000115.4C444 Q447 G450 L497 T498 L502C444-W477 WeakPolarHBondContact SG-CH2 3.47Å; Q447-W477 HydrophobicContact CB-CB 4.4Å; Q447-W477 HydrophobicContact CB-CD2 4.07Å; Q447-W477 HydrophobicContact CB-CE3 4.02Å; Q447-W477 HydrophobicContact CB-CG 4.25Å; Q447-W477 HydrophobicContact CG-CB 3.92Å; Q447-W477 HydrophobicContact CG-CD2 3.84Å; Q447-W477 HydrophobicContact CG-CE3 4.32Å; Q447-W477 HydrophobicContact CG-CG 3.64Å; G450-W477 VanDerWaalsContact CA-CH2 3.45Å; G450-W477 VanDerWaalsContact CA-CZ2 3.43Å; W477-L497 HydrophobicContact CH2-CD1 4.15Å; W477-L497 HydrophobicContact CH2-CG 3.9Å; W477-L497 HydrophobicContact CZ2-CD1 4.41Å; W477-L497 HydrophobicContact CZ2-CD2 4.07Å; W477-L497 HydrophobicContact CZ2-CG 3.73Å; W477-T498 VanDerWaalsContact CZ3-C 3.43Å; W477-L502 VanDerWaalsContact C-CD1 3.46Å; W477-L502 VanDerWaalsContact CA-CD1 3.41Å
478D87.1Confident88Confident64 Ų6453 Ų5334%0.34228%0.284SS..  trans-132.5135.3-179.3-179.28.5000110.7H476 T480 Q481H476-D478 PolarHBondContact CE1-O 3.31Å; H476-D478 PolarHBondContact ND1-O 3.28Å; D478-T480 VanDerWaalsContact C-N 3.28Å; D478-T480 VanDerWaalsContact CG-OG1 3.26Å; D478-T480 PolarHBondContact O-N 3.4Å; D478-T480 PolarHBondContact OD1-N 2.91Å; D478-T480 PolarHBondContact OD2-OG1 2.97Å; D478-Q481 HydrophobicContact CB-CG 4.11Å; D478-Q481 PolarHBondContact O-N 2.63Å
479K82.8Confident89.2Confident105 Ų10551.4 Ų51.446%0.45727%0.273SS..G310 helixtrans-68.2-25.6179.4-60.6-170.8171.9169.80112.3Q481 D501 L502 Q505K479-Q481 PolarHBondContact O-N 2.9Å; K479-D501 WeakPolarHBondContact CE-OD2 3.38Å; K479-D501 IonicContact NZ-OD2 3.36Å; K479-D501 PolarHBondContact NZ-OD2 3.04Å; K479-L502 HydrophobicContact CD-CD2 4.19Å; K479-L502 HydrophobicContact CG-CD2 3.4Å; K479-L502 VanDerWaalsContact CG-CD2 3.4Å; K479-Q505 VanDerWaalsContact CG-OE1 3.26Å
480T84.6Confident90Very high112 Ų11253.7 Ų53.769%0.68726%0.262SS*.G310 helixtrans-65-30.9173.775.20000112D478 L482D478-T480 VanDerWaalsContact C-N 3.28Å; D478-T480 VanDerWaalsContact CG-OG1 3.26Å; D478-T480 PolarHBondContact O-N 3.4Å; D478-T480 PolarHBondContact OD1-N 2.91Å; D478-T480 PolarHBondContact OD2-OG1 2.97Å; T480-L482 VanDerWaalsContact C-N 3.28Å; T480-L482 PolarHBondContact O-N 3.47Å
481Q86.4Confident90.2Very high88 Ų8858.7 Ų58.741%0.41128%0.284SS..G310 helixtrans-82.82.4-174.2-61.1178-12.800113.7D478 K479 V483 D484 I485D478-Q481 HydrophobicContact CB-CG 4.11Å; D478-Q481 PolarHBondContact O-N 2.63Å; K479-Q481 PolarHBondContact O-N 2.9Å; Q481-V483 VanDerWaalsContact C-N 3.26Å; Q481-V483 PolarHBondContact O-N 2.95Å; Q481-V483 VanDerWaalsContact O-N 3.13Å; Q481-D484 WeakPolarHBondContact O-CA 3.42Å; Q481-D484 WeakPolarHBondContact O-CB 3.42Å; Q481-D484 PolarHBondContact O-N 3.49Å; Q481-I485 HydrophobicContact CB-CG1 4.49Å; Q481-I485 PolarHBondContact O-N 2.78Å
482L86.1Confident90.3Very high18 Ų1855.2 Ų55.29%0.09427%0.268CS..Hα-helixtrans-50-44.3-175-177.273.1000113T480 D484 I485 V486 Q505 L506 H509T480-L482 VanDerWaalsContact C-N 3.28Å; T480-L482 PolarHBondContact O-N 3.47Å; L482-D484 VanDerWaalsContact C-N 3.3Å; L482-D484 PolarHBondContact O-N 2.82Å; L482-I485 PolarHBondContact O-N 2.88Å; L482-V486 HydrophobicContact CD1-CG2 4.43Å; L482-V486 HydrophobicContact CG-CG2 4.42Å; L482-V486 WeakPolarHBondContact O-CB 3.17Å; L482-V486 VanDerWaalsContact O-CG2 3.25Å; L482-V486 WeakPolarHBondContact O-CG2 3.25Å; L482-V486 PolarHBondContact O-N 2.79Å; L482-Q505 HydrophobicContact CD1-CG 4.11Å; L482-Q505 HydrophobicContact CD2-CG 4.29Å; L482-L506 HydrophobicContact CD1-CD2 3.64Å; L482-L506 HydrophobicContact CD1-CG 4.08Å; L482-H509 HydrophobicContact CD2-CB 4.38Å; L482-H509 VanDerWaalsContact CD2-CD2 3.48Å; L482-H509 WeakPolarHBondContact CD2-CD2 3.31Å
483V87.4Confident90.4Very high114 Ų11454 Ų5469%0.69126%0.261SS*.Hα-helixtrans-65.8-33.8-179.5-178.30000111.8Q481 R487Q481-V483 VanDerWaalsContact C-N 3.26Å; Q481-V483 PolarHBondContact O-N 2.95Å; Q481-V483 VanDerWaalsContact O-N 3.13Å; V483-R487 WeakPolarHBondContact O-CB 3.22Å; V483-R487 PolarHBondContact O-N 2.88Å; V483-R487 VanDerWaalsContact O-N 3.1Å
484D90.9Very high90.4Very high54 Ų5452.6 Ų52.629%0.28925%0.253SS..Hα-helixtrans-69.5-49.1176.7-172.579.6000111.6Q481 L482 V486 R487 R488Q481-D484 WeakPolarHBondContact O-CA 3.42Å; Q481-D484 WeakPolarHBondContact O-CB 3.42Å; Q481-D484 PolarHBondContact O-N 3.49Å; L482-D484 VanDerWaalsContact C-N 3.3Å; L482-D484 PolarHBondContact O-N 2.82Å; D484-V486 PolarHBondContact O-N 2.77Å; D484-R487 WeakPolarHBondContact O-CA 3.38Å; D484-R487 VanDerWaalsContact O-CB 3.29Å; D484-R487 WeakPolarHBondContact O-CB 3.36Å; D484-R487 PolarHBondContact O-N 2.97Å; D484-R487 IonicContact OD1-CZ 3.56Å; D484-R487 IonicContact OD1-NH1 3.47Å; D484-R487 PolarHBondContact OD1-NH1 3.12Å; D484-R487 IonicContact OD1-NH2 3.34Å; D484-R487 PolarHBondContact OD1-NH2 3.44Å; D484-R488 PolarHBondContact O-N 2.88Å; D484-R488 WeakPolarHBondContact OD2-CD 3.44Å; D484-R488 IonicContact OD2-NH1 2.71Å
485I92.3Very high90.5Very high0 Ų052.6 Ų52.60%025%0.253CS..Hα-helixtrans-62.3-44.8178.2-58-58.4000110.7V474 T475 H476 Q481 L482 R487 R488 L489 L496 L506V474-I485 HydrophobicContact CG1-CD1 3.87Å; V474-I485 HydrophobicContact CG1-CG2 4.34Å; T475-I485 WeakPolarHBondContact O-CD1 3.3Å; H476-I485 HydrophobicContact CB-CD1 4.17Å; H476-I485 HydrophobicContact CB-CG1 3.96Å; H476-I485 HydrophobicContact CB-CG2 4.14Å; Q481-I485 HydrophobicContact CB-CG1 4.49Å; Q481-I485 PolarHBondContact O-N 2.78Å; L482-I485 PolarHBondContact O-N 2.88Å; I485-R487 PolarHBondContact O-N 3.26Å; I485-R488 PolarHBondContact O-N 2.85Å; I485-L489 HydrophobicContact CG2-CD1 3.83Å; I485-L489 HydrophobicContact CG2-CG 4.19Å; I485-L489 WeakPolarHBondContact O-CB 3.13Å; I485-L489 VanDerWaalsContact O-CG 3.28Å; I485-L489 WeakPolarHBondContact O-CG 3.4Å; I485-L489 PolarHBondContact O-N 3.41Å; I485-L496 HydrophobicContact CG2-CD1 4.44Å; I485-L506 HydrophobicContact CG2-CD1 4.2Å; I485-L506 HydrophobicContact CG2-CD2 4.11Å
486V90.2Very high90.6Very high25 Ų2551.4 Ų51.415%0.15225%0.246CC..Hα-helixtrans-60.3-32.6173.7169.20000112L482 D484 K490 L506 I515L482-V486 HydrophobicContact CD1-CG2 4.43Å; L482-V486 HydrophobicContact CG-CG2 4.42Å; L482-V486 WeakPolarHBondContact O-CB 3.17Å; L482-V486 VanDerWaalsContact O-CG2 3.25Å; L482-V486 WeakPolarHBondContact O-CG2 3.25Å; L482-V486 PolarHBondContact O-N 2.79Å; D484-V486 PolarHBondContact O-N 2.77Å; V486-K490 WeakPolarHBondContact O-CG 3.43Å; V486-L506 HydrophobicContact CG2-CD2 3.68Å; V486-I515 HydrophobicContact CG1-CG1 4.35Å; V486-I515 HydrophobicContact CG2-CD1 4.06Å; V486-I515 HydrophobicContact CG2-CG1 4.49Å
487R89.4Confident90.7Very high140 Ų14051.4 Ų51.453%0.52825%0.246SC..Hα-helixtrans-70.8-42.5175.3-159.1-155.4-40.699.6-1.2111.9V483 D484 I485 K490V483-R487 WeakPolarHBondContact O-CB 3.22Å; V483-R487 PolarHBondContact O-N 2.88Å; V483-R487 VanDerWaalsContact O-N 3.1Å; D484-R487 WeakPolarHBondContact O-CA 3.38Å; D484-R487 VanDerWaalsContact O-CB 3.29Å; D484-R487 WeakPolarHBondContact O-CB 3.36Å; D484-R487 PolarHBondContact O-N 2.97Å; D484-R487 IonicContact OD1-CZ 3.56Å; D484-R487 IonicContact OD1-NH1 3.47Å; D484-R487 PolarHBondContact OD1-NH1 3.12Å; D484-R487 IonicContact OD1-NH2 3.34Å; D484-R487 PolarHBondContact OD1-NH2 3.44Å; I485-R487 PolarHBondContact O-N 3.26Å; R487-K490 WeakPolarHBondContact O-CB 3.4Å; R487-K490 PolarHBondContact O-N 3.26Å
488R91.8Very high91Very high65 Ų6549.8 Ų49.825%0.24524%0.24CC..Hα-helixtrans-66.7-45.1179.3-70.9163.870.3-170.62.2111.3E471 V474 D484 I485 K490 K491E471-R488 WeakPolarHBondContact OE1-CB 3.38Å; E471-R488 WeakPolarHBondContact OE1-CG 3.44Å; E471-R488 IonicContact OE1-CZ 2.72Å; E471-R488 IonicContact OE1-NE 3.74Å; E471-R488 PolarHBondContact OE1-NE 3.34Å; E471-R488 IonicContact OE1-NH2 3.48Å; E471-R488 IonicContact OE2-CZ 3.24Å; E471-R488 VanDerWaalsContact OE2-CZ 3.26Å; E471-R488 IonicContact OE2-NE 2.99Å; E471-R488 PolarHBondContact OE2-NE 2.79Å; E471-R488 VanDerWaalsContact OE2-NE 3.08Å; E471-R488 IonicContact OE2-NH2 3.1Å; E471-R488 PolarHBondContact OE2-NH2 2.94Å; V474-R488 HydrophobicContact CG2-CB 4.46Å; D484-R488 PolarHBondContact O-N 2.88Å; D484-R488 WeakPolarHBondContact OD2-CD 3.44Å; D484-R488 IonicContact OD2-NH1 2.71Å; I485-R488 PolarHBondContact O-N 2.85Å; R488-K490 PolarHBondContact O-N 2.84Å; R488-K490 VanDerWaalsContact O-N 3.07Å; R488-K491 PolarHBondContact O-N 3.34Å; R488-K491 VanDerWaalsContact O-N 3.11Å
489L91.8Very high91.3Very high0 Ų047.3 Ų47.30%023%0.228CC..THydrogen-bonded Turntrans-65.8-8.3177.2-62.9178.3000114.7G437 I485 K491 V493 L496 L506 I515G437-L489 WeakPolarHBondContact CA-O 3.36Å; G437-L489 PolarHBondContact N-O 2.68Å; I485-L489 HydrophobicContact CG2-CD1 3.83Å; I485-L489 HydrophobicContact CG2-CG 4.19Å; I485-L489 WeakPolarHBondContact O-CB 3.13Å; I485-L489 VanDerWaalsContact O-CG 3.28Å; I485-L489 WeakPolarHBondContact O-CG 3.4Å; I485-L489 PolarHBondContact O-N 3.41Å; L489-K491 PolarHBondContact O-N 3.49Å; L489-V493 HydrophobicContact CD2-CB 4.42Å; L489-V493 HydrophobicContact CD2-CG1 4.45Å; L489-V493 HydrophobicContact CD2-CG2 4.21Å; L489-L496 HydrophobicContact CD1-CD1 4.45Å; L489-L496 HydrophobicContact CD1-CD2 4.03Å; L489-L496 HydrophobicContact CD2-CD1 4.47Å; L489-L506 HydrophobicContact CD1-CD1 4.31Å; L489-L506 HydrophobicContact CD1-CD2 4.44Å; L489-I515 HydrophobicContact CB-CG2 3.7Å; L489-I515 HydrophobicContact CD1-CG2 4Å
490K89.1Confident91.8Very high120 Ų12042.4 Ų42.452%0.52221%0.207SC..THydrogen-bonded Turntrans-72.1-10.6170.1-77.1174-179.5-175.80114R436 V486 R487 R488R436-K490 WeakPolarHBondContact CG-O 3.22Å; V486-K490 WeakPolarHBondContact O-CG 3.43Å; R487-K490 WeakPolarHBondContact O-CB 3.4Å; R487-K490 PolarHBondContact O-N 3.26Å; R488-K490 PolarHBondContact O-N 2.84Å; R488-K490 VanDerWaalsContact O-N 3.07Å
491K90.1Very high92Very high137 Ų13738.8 Ų38.860%0.59618%0.183SC*.SBendtrans-105167.9169.6-70.1-171.5174.7-170.10110.5G435 G437 R488 L489G435-K491 CarbonylContact O-C 3.57Å; G437-K491 WeakPolarHBondContact CA-O 3.43Å; G437-K491 PolarHBondContact N-O 3.28Å; R488-K491 PolarHBondContact O-N 3.34Å; R488-K491 VanDerWaalsContact O-N 3.11Å; L489-K491 PolarHBondContact O-N 3.49Å
492P92.6Very high92.3Very high1 Ų134.8 Ų34.81%0.00617%0.165CC..EExtended strand (participates in β ladder)trans-57.8141.2165.8-21.434.8000111.2L428 R431 G435 F470L428-P492 HydrophobicContact CD1-CB 3.72Å; R431-P492 HydrophobicContact CB-CB 4.17Å; R431-P492 HydrophobicContact CB-CG 4.41Å; G435-P492 WeakPolarHBondContact O-CD 3.49Å; G435-P492 WeakPolarHBondContact O-CG 3.41Å; F470-P492 HydrophobicContact CD1-CB 4.33Å; F470-P492 HydrophobicContact CD1-CG 4.36Å; F470-P492 HydrophobicContact CD2-CB 3.79Å; F470-P492 HydrophobicContact CD2-CG 4.14Å; F470-P492 HydrophobicContact CE1-CG 4.07Å; F470-P492 HydrophobicContact CE2-CB 3.99Å; F470-P492 HydrophobicContact CE2-CG 3.83Å; F470-P492 HydrophobicContact CG-CB 4.01Å; F470-P492 HydrophobicContact CG-CG 4.43Å; F470-P492 HydrophobicContact CZ-CB 4.38Å; F470-P492 HydrophobicContact CZ-CG 3.82Å
493V93.6Very high92.7Very high1 Ų134.1 Ų34.11%0.00616%0.161CC..EExtended strand (participates in β ladder)trans-140.4146.8178.3167.20000108.4G437 P438 T439 E471 V474 L489G437-V493 PolarHBondContact O-N 3.4Å; P438-V493 CarbonylContact C-O 3.57Å; P438-V493 VanDerWaalsContact CA-O 3.26Å; P438-V493 WeakPolarHBondContact CA-O 3.48Å; P438-V493 HydrophobicContact CB-CG1 4.49Å; T439-V493 PolarHBondContact N-O 3.47Å; E471-V493 WeakPolarHBondContact O-CA 3.47Å; V474-V493 HydrophobicContact CB-CG1 4.04Å; V474-V493 HydrophobicContact CG2-CB 4.45Å; V474-V493 HydrophobicContact CG2-CG1 3.63Å; V474-V493 HydrophobicContact CG2-CG2 3.88Å; L489-V493 HydrophobicContact CD2-CB 4.42Å; L489-V493 HydrophobicContact CD2-CG1 4.45Å; L489-V493 HydrophobicContact CD2-CG2 4.21Å
494G94.2Very high92.8Very high1 Ų129 Ų291%0.0113%0.13CC..EExtended strand (participates in β ladder)trans-71.1-71.8175.700000111.5T439 C440 E471 D472T439-G494 WeakPolarHBondContact CA-O 3.4Å; T439-G494 WeakPolarHBondContact CB-O 3.39Å; T439-G494 PolarHBondContact N-O 2.86Å; C440-G494 PolarHBondContact N-O 3.15Å; E471-G494 PolarHBondContact O-N 2.69Å; D472-G494 CarbonylContact O-C 3.54Å; D472-G494 WeakPolarHBondContact O-CA 3.23Å
495I97.2Very high92.7Very high0 Ų028.4 Ų28.40%013%0.125CC..EExtended strand (participates in β ladder)trans-123.7128.8-174.9-49.6178.5000110.7V420 C440 F442 M457 L461 D472 V473 V474V420-I495 HydrophobicContact CG1-CD1 4.16Å; C440-I495 HydrophobicContact CB-CG1 4.27Å; C440-I495 HydrophobicContact CB-CG2 4.4Å; C440-I495 CarbonylContact O-C 3.56Å; C440-I495 WeakPolarHBondContact O-CA 3.26Å; F442-I495 HydrophobicContact CB-CG2 4.02Å; M457-I495 HydrophobicContact CE-CD1 4.03Å; M457-I495 HydrophobicContact CE-CG2 3.92Å; M457-I495 HydrophobicContact CG-CD1 4.38Å; M457-I495 HydrophobicContact SD-CD1 3.99Å; M457-I495 HydrophobicContact SD-CG2 4.14Å; L461-I495 HydrophobicContact CD1-CD1 4.29Å; D472-I495 PolarHBondContact O-N 3.02Å; V473-I495 CarbonylContact C-O 3.59Å; V473-I495 WeakPolarHBondContact CA-O 3.29Å; V474-I495 PolarHBondContact N-O 3.18Å
496L97.2Very high92.5Very high0 Ų028.4 Ų28.40%013%0.125CC..EExtended strand (participates in β ladder)trans-94.4115162.4171.561.9000108.9P438 C440 F442 V474 H476 I485 L489 T498 L506P438-L496 HydrophobicContact CB-CB 3.79Å; P438-L496 HydrophobicContact CG-CB 3.93Å; P438-L496 HydrophobicContact CG-CD2 4.43Å; C440-L496 PolarHBondContact O-N 3.02Å; F442-L496 PolarHBondContact N-O 2.96Å; V474-L496 HydrophobicContact CG1-CD1 4.32Å; V474-L496 WeakPolarHBondContact O-CA 3.46Å; H476-L496 HydrophobicContact CB-CD1 4.41Å; I485-L496 HydrophobicContact CG2-CD1 4.44Å; L489-L496 HydrophobicContact CD1-CD1 4.45Å; L489-L496 HydrophobicContact CD1-CD2 4.03Å; L489-L496 HydrophobicContact CD2-CD1 4.47Å; L496-T498 HydrophobicContact CG-CG2 4.45Å; L496-L506 HydrophobicContact CD2-CD1 4.05Å
497L98.2Very high92.2Very high0 Ų027.8 Ų27.80%012%0.121CC..EExtended strand (participates in β ladder)trans-111.1121.7179.3170.166.3000110.9F442 I453 E454 M457 V474 T475 H476 W477F442-L497 HydrophobicContact CB-CB 4.4Å; F442-L497 HydrophobicContact CB-CD1 3.87Å; F442-L497 HydrophobicContact CD1-CD1 3.48Å; F442-L497 VanDerWaalsContact CD1-CD1 3.48Å; F442-L497 HydrophobicContact CE1-CD1 4.34Å; F442-L497 HydrophobicContact CG-CD1 3.91Å; F442-L497 WeakPolarHBondContact O-CA 3.33Å; I453-L497 HydrophobicContact CB-CD2 4.45Å; I453-L497 HydrophobicContact CG2-CD1 4.39Å; I453-L497 HydrophobicContact CG2-CD2 4.28Å; E454-L497 HydrophobicContact CB-CD2 3.89Å; M457-L497 HydrophobicContact SD-CD2 3.98Å; V474-L497 PolarHBondContact O-N 3.19Å; T475-L497 WeakPolarHBondContact CA-O 3.35Å; T475-L497 HydrophobicContact CG2-CB 4.08Å; T475-L497 HydrophobicContact CG2-CD2 4.05Å; T475-L497 HydrophobicContact CG2-CG 4.34Å; H476-L497 PolarHBondContact N-O 3.1Å; W477-L497 HydrophobicContact CH2-CD1 4.15Å; W477-L497 HydrophobicContact CH2-CG 3.9Å; W477-L497 HydrophobicContact CZ2-CD1 4.41Å; W477-L497 HydrophobicContact CZ2-CD2 4.07Å; W477-L497 HydrophobicContact CZ2-CG 3.73Å
498T97Very high91.8Very high0 Ų026.1 Ų26.10%012%0.123CC..EExtended strand (participates in β ladder)trans-159.3-171.4-170.1-1650000113.7F442 V443 C444 H476 W477 L496 L502 L503F442-T498 PolarHBondContact O-N 2.87Å; V443-T498 WeakPolarHBondContact CA-O 3.41Å; C444-T498 PolarHBondContact N-O 3.06Å; H476-T498 WeakPolarHBondContact O-CB 3.43Å; H476-T498 PolarHBondContact O-OG1 2.83Å; W477-T498 VanDerWaalsContact CZ3-C 3.43Å; L496-T498 HydrophobicContact CG-CG2 4.45Å; T498-L502 VanDerWaalsContact OG1-CB 3.28Å; T498-L502 WeakPolarHBondContact OG1-CB 3.39Å; T498-L503 HydrophobicContact CG2-CB 3.89Å
499S94.7Very high90.8Very high12 Ų1228.4 Ų28.48%0.08414%0.136CC..  trans-108.3166.2172.661.40000112.2D501 L502 L503S499-D501 WeakPolarHBondContact CB-OD1 3.49Å; S499-D501 PolarHBondContact O-N 3.22Å; S499-D501 PolarHBondContact OG-OD1 3.21Å; S499-L502 PolarHBondContact O-N 3.17Å; S499-L502 WeakPolarHBondContact OG-CD1 3.26Å; S499-L502 VanDerWaalsContact OG-CG 3.3Å; S499-L502 WeakPolarHBondContact OG-CG 3.36Å; S499-L503 WeakPolarHBondContact O-CB 3.48Å; S499-L503 PolarHBondContact O-N 2.88Å
500V93.1Very high89.4Confident3 Ų331 Ų312%0.01815%0.15CC..Hα-helixtrans-56.8-47-176.6172.30000113.1V443 L504 M532 L536 D539 L543V443-V500 HydrophobicContact CG1-CG2 3.72Å; V500-L504 PolarHBondContact O-N 2.81Å; V500-M532 HydrophobicContact CG2-CB 4.1Å; V500-M532 HydrophobicContact CG2-CG 4.16Å; V500-M532 HydrophobicContact CG2-SD 3.62Å; V500-L536 HydrophobicContact CB-CD1 4.13Å; V500-D539 VanDerWaalsContact CG1-C 3.47Å; V500-D539 HydrophobicContact CG1-CB 4.14Å; V500-D539 WeakPolarHBondContact CG1-O 3.5Å; V500-L543 HydrophobicContact CB-CD2 4.4Å; V500-L543 HydrophobicContact CG1-CB 4.24Å; V500-L543 HydrophobicContact CG1-CD2 4.07Å; V500-L543 HydrophobicContact CG2-CD2 4.15Å
501D89.3Confident87.7Confident35 Ų3530.8 Ų30.819%0.18716%0.161CC..Hα-helixtrans-70.6-35.7-177.464.2-44.2000112.7K479 S499 Q505 L536K479-D501 WeakPolarHBondContact CE-OD2 3.38Å; K479-D501 IonicContact NZ-OD2 3.36Å; K479-D501 PolarHBondContact NZ-OD2 3.04Å; S499-D501 WeakPolarHBondContact CB-OD1 3.49Å; S499-D501 PolarHBondContact O-N 3.22Å; S499-D501 PolarHBondContact OG-OD1 3.21Å; D501-Q505 WeakPolarHBondContact O-CB 3.36Å; D501-Q505 PolarHBondContact O-N 3.01Å; D501-L536 HydrophobicContact CB-CD1 3.82Å
502L92.8Very high85.8Confident5 Ų530.4 Ų30.43%0.02617%0.169CC..Hα-helixtrans-72.7-39.3176.3-67.3-179.5000111.9H476 W477 K479 T498 S499 Q505 L506H476-L502 WeakPolarHBondContact O-CD1 3.19Å; W477-L502 VanDerWaalsContact C-CD1 3.46Å; W477-L502 VanDerWaalsContact CA-CD1 3.41Å; K479-L502 HydrophobicContact CD-CD2 4.19Å; K479-L502 HydrophobicContact CG-CD2 3.4Å; K479-L502 VanDerWaalsContact CG-CD2 3.4Å; T498-L502 VanDerWaalsContact OG1-CB 3.28Å; T498-L502 WeakPolarHBondContact OG1-CB 3.39Å; S499-L502 PolarHBondContact O-N 3.17Å; S499-L502 WeakPolarHBondContact OG-CD1 3.26Å; S499-L502 VanDerWaalsContact OG-CG 3.3Å; S499-L502 WeakPolarHBondContact OG-CG 3.36Å; L502-Q505 WeakPolarHBondContact O-CB 3.17Å; L502-Q505 PolarHBondContact O-N 2.95Å; L502-L506 PolarHBondContact O-N 3.2Å
503L93.1Very high84Confident4 Ų433 Ų332%0.02120%0.196CC..Hα-helixtrans-61.9-48.6169.9-178.657.3000110.8I441 V443 T498 S499 Q505 L506 L507 L543I441-L503 HydrophobicContact CG2-CD1 4.12Å; I441-L503 HydrophobicContact CG2-CD2 3.83Å; V443-L503 HydrophobicContact CG2-CD2 3.64Å; T498-L503 HydrophobicContact CG2-CB 3.89Å; S499-L503 WeakPolarHBondContact O-CB 3.48Å; S499-L503 PolarHBondContact O-N 2.88Å; L503-Q505 VanDerWaalsContact C-N 3.26Å; L503-Q505 PolarHBondContact O-N 2.82Å; L503-L506 WeakPolarHBondContact O-CB 3.47Å; L503-L506 PolarHBondContact O-N 3.26Å; L503-L507 HydrophobicContact CD1-CD1 4.12Å; L503-L507 HydrophobicContact CD1-CG 4.09Å; L503-L507 HydrophobicContact CG-CD1 3.98Å; L503-L507 HydrophobicContact CG-CG 4.32Å; L503-L507 WeakPolarHBondContact O-CB 3.5Å; L503-L507 VanDerWaalsContact O-CG 3.26Å; L503-L507 WeakPolarHBondContact O-CG 3.27Å; L503-L507 PolarHBondContact O-N 2.84Å; L503-L543 HydrophobicContact CD2-CD1 3.72Å; L503-L543 HydrophobicContact CD2-CD2 4.04Å; L503-L543 HydrophobicContact CG-CD1 4.2Å
504L90.2Very high82.7Confident7 Ų735.1 Ų35.14%0.03721%0.211CC..Hα-helixtrans-60.8-34.3174.7-79.6-176000112.7V500 L507 N508 D539 K542 L543V500-L504 PolarHBondContact O-N 2.81Å; L504-L507 CarbonylContact O-C 3.52Å; L504-L507 PolarHBondContact O-N 3.11Å; L504-N508 WeakPolarHBondContact O-CB 3.44Å; L504-N508 PolarHBondContact O-N 2.8Å; L504-N508 PolarHBondContact O-ND2 2.56Å; L504-D539 HydrophobicContact CD1-CB 3.88Å; L504-D539 VanDerWaalsContact CD1-O 3.27Å; L504-D539 WeakPolarHBondContact CD1-O 3.3Å; L504-K542 HydrophobicContact CD1-CB 3.93Å; L504-K542 HydrophobicContact CD1-CD 4.4Å; L504-L543 HydrophobicContact CD2-CB 4.28Å; L504-L543 HydrophobicContact CD2-CD1 4.32Å; L504-L543 HydrophobicContact CG-CB 4.3Å
505Q88.4Confident81.9Confident41 Ų4135.6 Ų35.619%0.19221%0.213CC..Hα-helixtrans-61.8-49173.9-170.3171.7-7.100111K479 L482 D501 L502 L503 L507 N508 H509K479-Q505 VanDerWaalsContact CG-OE1 3.26Å; L482-Q505 HydrophobicContact CD1-CG 4.11Å; L482-Q505 HydrophobicContact CD2-CG 4.29Å; D501-Q505 WeakPolarHBondContact O-CB 3.36Å; D501-Q505 PolarHBondContact O-N 3.01Å; L502-Q505 WeakPolarHBondContact O-CB 3.17Å; L502-Q505 PolarHBondContact O-N 2.95Å; L503-Q505 VanDerWaalsContact C-N 3.26Å; L503-Q505 PolarHBondContact O-N 2.82Å; Q505-L507 VanDerWaalsContact C-N 3.33Å; Q505-L507 PolarHBondContact O-N 3.12Å; Q505-N508 PolarHBondContact O-N 3.06Å; Q505-H509 VanDerWaalsContact CG-CD2 3.5Å; Q505-H509 WeakPolarHBondContact CG-CD2 3.47Å; Q505-H509 WeakPolarHBondContact O-CB 3.36Å; Q505-H509 PolarHBondContact O-CD2 2.86Å; Q505-H509 VanDerWaalsContact O-CD2 3.27Å; Q505-H509 PolarHBondContact O-N 3.2Å
506L88.8Confident81.1Confident0 Ų036.2 Ų36.20%022%0.216CC..Hα-helixtrans-55.8-45.4172.5-72.9167000112.1L482 I485 V486 L489 L496 L502 L503 N508 I515L482-L506 HydrophobicContact CD1-CD2 3.64Å; L482-L506 HydrophobicContact CD1-CG 4.08Å; I485-L506 HydrophobicContact CG2-CD1 4.2Å; I485-L506 HydrophobicContact CG2-CD2 4.11Å; V486-L506 HydrophobicContact CG2-CD2 3.68Å; L489-L506 HydrophobicContact CD1-CD1 4.31Å; L489-L506 HydrophobicContact CD1-CD2 4.44Å; L496-L506 HydrophobicContact CD2-CD1 4.05Å; L502-L506 PolarHBondContact O-N 3.2Å; L503-L506 WeakPolarHBondContact O-CB 3.47Å; L503-L506 PolarHBondContact O-N 3.26Å; L506-N508 VanDerWaalsContact C-N 3.32Å; L506-N508 PolarHBondContact O-N 3.35Å; L506-I515 VanDerWaalsContact O-CD1 3.28Å; L506-I515 WeakPolarHBondContact O-CD1 3.34Å
507L84.6Confident80.6Confident12 Ų1239.5 Ų39.56%0.06323%0.233CC..Hα-helixtrans-75-13.7-177.6-64.2-177.4000114.9L503 L504 Q505 F516 L543 R546 M550L503-L507 HydrophobicContact CD1-CD1 4.12Å; L503-L507 HydrophobicContact CD1-CG 4.09Å; L503-L507 HydrophobicContact CG-CD1 3.98Å; L503-L507 HydrophobicContact CG-CG 4.32Å; L503-L507 WeakPolarHBondContact O-CB 3.5Å; L503-L507 VanDerWaalsContact O-CG 3.26Å; L503-L507 WeakPolarHBondContact O-CG 3.27Å; L503-L507 PolarHBondContact O-N 2.84Å; L504-L507 CarbonylContact O-C 3.52Å; L504-L507 PolarHBondContact O-N 3.11Å; Q505-L507 VanDerWaalsContact C-N 3.33Å; Q505-L507 PolarHBondContact O-N 3.12Å; L507-F516 HydrophobicContact CD2-CE1 4.17Å; L507-F516 HydrophobicContact CD2-CZ 3.93Å; L507-L543 HydrophobicContact CD1-CD1 4.25Å; L507-R546 PolarHBondContact O-NH1 3.25Å; L507-M550 HydrophobicContact CD1-SD 3.95Å; L507-M550 HydrophobicContact CD2-CE 3.56Å; L507-M550 HydrophobicContact CD2-SD 3.74Å; L507-M550 HydrophobicContact CG-SD 4.35Å
508N80.4Confident80Confident105 Ų10540.8 Ų40.856%0.56124%0.244SC*.Hα-helixtrans-101.6-30.4178.1-69.2-17.2000112.1L504 Q505 L506 N510 R546L504-N508 WeakPolarHBondContact O-CB 3.44Å; L504-N508 PolarHBondContact O-N 2.8Å; L504-N508 PolarHBondContact O-ND2 2.56Å; Q505-N508 PolarHBondContact O-N 3.06Å; L506-N508 VanDerWaalsContact C-N 3.32Å; L506-N508 PolarHBondContact O-N 3.35Å; N508-N510 PolarHBondContact O-N 3.33Å; N508-R546 PolarHBondContact OD1-NH1 3.3Å
509H70.3Confident79.5Confident113 Ų11345.2 Ų45.252%0.52327%0.265SS..SBendtrans-71.3-10.4178.3-90.3-86.2000114.1L482 Q505L482-H509 HydrophobicContact CD2-CB 4.38Å; L482-H509 VanDerWaalsContact CD2-CD2 3.48Å; L482-H509 WeakPolarHBondContact CD2-CD2 3.31Å; Q505-H509 VanDerWaalsContact CG-CD2 3.5Å; Q505-H509 WeakPolarHBondContact CG-CD2 3.47Å; Q505-H509 WeakPolarHBondContact O-CB 3.36Å; Q505-H509 PolarHBondContact O-CD2 2.86Å; Q505-H509 VanDerWaalsContact O-CD2 3.27Å; Q505-H509 PolarHBondContact O-N 3.2Å
510N61.6Low79.3Confident54 Ų5445 Ų4529%0.28927%0.265SS..SBendtrans-146116.3176.3-85.7-85.6000111.5N508 V512 S514 I515N508-N510 PolarHBondContact O-N 3.33Å; N510-V512 PolarHBondContact O-N 3.33Å; N510-V512 VanDerWaalsContact O-N 3.16Å; N510-S514 VanDerWaalsContact CB-OG 3.23Å; N510-S514 WeakPolarHBondContact CB-OG 3.5Å; N510-S514 PolarHBondContact OD1-OG 2.87Å; N510-I515 HydrophobicContact CB-CD1 3.79Å; N510-I515 HydrophobicContact CB-CG1 3.81Å
511P54Low79.2Confident116 Ų11645 Ų4575%0.75326%0.264SS*.  trans-74.4105.1173.129.8-32.4000110.8
512V49.7Very low79.5Confident128 Ų12847.3 Ų47.378%0.77627%0.273SS*.SBendtrans56.9104.8161.8-169.70000116.5N510N510-V512 PolarHBondContact O-N 3.33Å; N510-V512 VanDerWaalsContact O-N 3.16Å
513G55.6Low79.6Confident55 Ų5547.5 Ų47.557%0.56727%0.274SS*.SBendtrans96.1-8.8159.300000117.8
514S66.9Low79.8Confident47 Ų4747.4 Ų47.433%0.32927%0.274SS..SBendtrans-81.6-37.3-178.463.30000114.5N510N510-S514 VanDerWaalsContact CB-OG 3.23Å; N510-S514 WeakPolarHBondContact CB-OG 3.5Å; N510-S514 PolarHBondContact OD1-OG 2.87Å
515I76.3Confident80.1Confident10 Ų1047.1 Ų47.15%0.05127%0.272CS..SBendtrans-79.3-59.3179.4-53.8173.9000110V486 L489 L506 N510V486-I515 HydrophobicContact CG1-CG1 4.35Å; V486-I515 HydrophobicContact CG2-CD1 4.06Å; V486-I515 HydrophobicContact CG2-CG1 4.49Å; L489-I515 HydrophobicContact CB-CG2 3.7Å; L489-I515 HydrophobicContact CD1-CG2 4Å; L506-I515 VanDerWaalsContact O-CD1 3.28Å; L506-I515 WeakPolarHBondContact O-CD1 3.34Å; N510-I515 HydrophobicContact CB-CD1 3.79Å; N510-I515 HydrophobicContact CB-CG1 3.81Å
516F81.8Confident80.6Confident13 Ų1345.2 Ų45.26%0.05726%0.263CS..  trans-143.2158.7-17665.5-100.2000113.1I441 L507 V521 F551I441-F516 HydrophobicContact CD1-CE2 4.05Å; I441-F516 HydrophobicContact CD1-CZ 3.81Å; L507-F516 HydrophobicContact CD2-CE1 4.17Å; L507-F516 HydrophobicContact CD2-CZ 3.93Å; F516-V521 HydrophobicContact CD2-CG2 4.11Å; F516-V521 HydrophobicContact CE2-CG2 3.93Å; F516-F551 HydrophobicContact CE2-CE1 4.18Å; F516-F551 HydrophobicContact CE2-CZ 4.08Å; F516-F551 HydrophobicContact CZ-CZ 4.37Å
517D85.7Confident80.9Confident69 Ų6945.2 Ų45.237%0.36926%0.263SS..  trans-84117.5176169.522.1000110.5R431 R436 Q519 A520R431-D517 IonicContact NH2-OD2 3.54Å; R436-D517 PolarHBondContact O-N 3.47Å; D517-Q519 VanDerWaalsContact C-N 3.3Å; D517-Q519 PolarHBondContact O-N 2.92Å; D517-Q519 WeakPolarHBondContact OD1-CB 3.47Å; D517-Q519 PolarHBondContact OD1-N 2.89Å; D517-A520 HydrophobicContact CB-CB 4.13Å; D517-A520 WeakPolarHBondContact O-CB 3.41Å; D517-A520 PolarHBondContact O-N 3.19Å; D517-A520 WeakPolarHBondContact OD2-CB 3.43Å; D517-A520 PolarHBondContact OD2-N 3.27Å
518A85.4Confident81.3Confident28 Ų2845.3 Ų45.323%0.23126%0.264CS..THydrogen-bonded Turntrans-70.1-23.3179.200000113.5A520 V521 M550 F551A518-A520 VanDerWaalsContact C-N 3.25Å; A518-A520 PolarHBondContact O-N 2.95Å; A518-V521 PolarHBondContact O-N 3.26Å; A518-M550 WeakPolarHBondContact CB-O 3.46Å; A518-F551 HydrophobicContact CB-CD1 4.14Å; A518-F551 HydrophobicContact CB-CE1 3.92Å
519Q87.1Confident82Confident92 Ų9240.3 Ų40.343%0.4324%0.237SC..THydrogen-bonded Turntrans-75.2-16.8174.5-64.5-65.9-44.200112.4D517 K522D517-Q519 VanDerWaalsContact C-N 3.3Å; D517-Q519 PolarHBondContact O-N 2.92Å; D517-Q519 WeakPolarHBondContact OD1-CB 3.47Å; D517-Q519 PolarHBondContact OD1-N 2.89Å; Q519-K522 PolarHBondContact O-NZ 3.16Å
520A89.4Confident82.9Confident9 Ų935.1 Ų35.17%0.07421%0.213CC..THydrogen-bonded Turntrans-82-21.9173.600000113.8D517 A518 K522D517-A520 HydrophobicContact CB-CB 4.13Å; D517-A520 WeakPolarHBondContact O-CB 3.41Å; D517-A520 PolarHBondContact O-N 3.19Å; D517-A520 WeakPolarHBondContact OD2-CB 3.43Å; D517-A520 PolarHBondContact OD2-N 3.27Å; A518-A520 VanDerWaalsContact C-N 3.25Å; A518-A520 PolarHBondContact O-N 2.95Å; A520-K522 WeakPolarHBondContact O-CG 3.27Å; A520-K522 PolarHBondContact O-N 2.93Å
521V92.9Very high84.1Confident2 Ų232.6 Ų32.61%0.01220%0.2CC..  trans-71.2103.5176.5-178.30000109.4P438 T439 I441 F516 A518 C523 I524 F551 C558P438-V521 HydrophobicContact CG-CG2 4.41Å; P438-V521 WeakPolarHBondContact O-CG2 3.3Å; T439-V521 CarbonylContact O-C 3.53Å; T439-V521 WeakPolarHBondContact O-CA 3.11Å; I441-V521 HydrophobicContact CD1-CG1 4.18Å; I441-V521 HydrophobicContact CD1-CG2 4.09Å; I441-V521 HydrophobicContact CG1-CG1 4.1Å; I441-V521 HydrophobicContact CG1-CG2 4.35Å; F516-V521 HydrophobicContact CD2-CG2 4.11Å; F516-V521 HydrophobicContact CE2-CG2 3.93Å; A518-V521 PolarHBondContact O-N 3.26Å; V521-C523 WeakPolarHBondContact CG1-O 3.19Å; V521-I524 HydrophobicContact CG1-CD1 4.31Å; V521-I524 HydrophobicContact CG1-CG1 3.86Å; V521-F551 HydrophobicContact CB-CD1 4.02Å; V521-F551 HydrophobicContact CB-CE1 3.75Å; V521-F551 HydrophobicContact CG1-CD1 4.26Å; V521-F551 HydrophobicContact CG1-CE1 4.02Å; V521-F551 HydrophobicContact CG2-CD1 4.48Å; V521-F551 HydrophobicContact CG2-CE1 3.73Å; V521-C558 PolarHBondContact O-SG 3.5Å
522K94.1Very high85.8Confident84 Ų8427.2 Ų27.237%0.36517%0.165SC..  trans-90.3-15.2179.4-54.9-47.1-177.7-172.40113.4T439 Q519 A520 C558 Q559T439-K522 HydrophobicContact CG2-CB 4.21Å; T439-K522 HydrophobicContact CG2-CG 4.03Å; T439-K522 PolarHBondContact O-N 3.04Å; Q519-K522 PolarHBondContact O-NZ 3.16Å; A520-K522 WeakPolarHBondContact O-CG 3.27Å; A520-K522 PolarHBondContact O-N 2.93Å; K522-C558 WeakPolarHBondContact O-CA 3.15Å; K522-Q559 PolarHBondContact O-N 3.07Å
523C95.4Very high87.5Confident9 Ų922 Ų226%0.06113%0.133CC..EExtended strand (participates in β ladder)trans-147.4139.8-176.7-170.60000112.2T439 C440 I441 V521 Q559 L561T439-C523 PolarHBondContact O-N 2.94Å; C440-C523 VanDerWaalsContact CA-O 3.3Å; C440-C523 WeakPolarHBondContact CA-O 3.33Å; C440-C523 HydrophobicContact CB-CB 4.07Å; I441-C523 PolarHBondContact N-O 3.44Å; V521-C523 WeakPolarHBondContact CG1-O 3.19Å; C523-Q559 CarbonylContact C-O 3.51Å; C523-Q559 WeakPolarHBondContact CA-O 3.28Å; C523-L561 WeakPolarHBondContact SG-CD1 3.07Å
524I96.8Very high88.6Confident2 Ų226.5 Ų26.51%0.0113%0.133CC..EExtended strand (participates in β ladder)trans-127.8126.9168.6-60.4-178.4000108.4I441 V521 L526 L547 F551 L553 Q559 L560 L561I441-I524 HydrophobicContact CB-CG1 4.41Å; I441-I524 CarbonylContact O-C 3.51Å; I441-I524 VanDerWaalsContact O-CA 3.31Å; I441-I524 WeakPolarHBondContact O-CA 3.45Å; V521-I524 HydrophobicContact CG1-CD1 4.31Å; V521-I524 HydrophobicContact CG1-CG1 3.86Å; I524-L526 HydrophobicContact CG2-CD2 4.23Å; I524-L547 HydrophobicContact CD1-CD2 3.86Å; I524-L547 HydrophobicContact CG2-CD2 4.46Å; I524-F551 HydrophobicContact CD1-CB 4.29Å; I524-F551 HydrophobicContact CD1-CD1 4.19Å; I524-F551 HydrophobicContact CD1-CD2 3.37Å; I524-F551 HydrophobicContact CD1-CE1 4.4Å; I524-F551 HydrophobicContact CD1-CE2 3.63Å; I524-F551 HydrophobicContact CD1-CG 3.68Å; I524-F551 HydrophobicContact CD1-CZ 4.14Å; I524-L553 HydrophobicContact CD1-CD2 4.43Å; I524-Q559 PolarHBondContact N-O 3.05Å; I524-L560 HydrophobicContact CB-CD1 4.13Å; I524-L560 HydrophobicContact CG2-CD1 4.06Å; I524-L560 WeakPolarHBondContact O-CA 3.49Å; I524-L561 PolarHBondContact O-N 3.24Å
525A97.8Very high88.9Confident0 Ų026.6 Ų26.60%013%0.131CC..EExtended strand (participates in β ladder)trans-116.7128.1178.600000111.2Y416 I441 F442 V443 L561Y416-A525 HydrophobicContact CE2-CB 4.21Å; I441-A525 PolarHBondContact O-N 3.01Å; F442-A525 HydrophobicContact CD1-CB 4.39Å; F442-A525 HydrophobicContact CD2-CB 3.54Å; F442-A525 HydrophobicContact CE2-CB 3.72Å; F442-A525 HydrophobicContact CG-CB 3.91Å; F442-A525 HydrophobicContact CZ-CB 4.2Å; V443-A525 PolarHBondContact N-O 3.16Å; A525-L561 CarbonylContact C-O 3.51Å; A525-L561 WeakPolarHBondContact CA-O 3.48Å; A525-L561 HydrophobicContact CB-CB 4.22Å; A525-L561 HydrophobicContact CB-CD1 4.4Å
526L97.6Very high89Confident1 Ų127.9 Ų27.91%0.00514%0.138CC..EExtended strand (participates in β ladder)trans-116.885.1177.4-54.9-178.9000109.1V443 I524 L529 M532 L544 L547 L560 L561 V562 S563V443-L526 HydrophobicContact CB-CD2 3.87Å; V443-L526 HydrophobicContact CG2-CD2 3.91Å; I524-L526 HydrophobicContact CG2-CD2 4.23Å; L526-L529 HydrophobicContact CD1-CD1 4.44Å; L526-M532 HydrophobicContact CB-CE 4.02Å; L526-L544 HydrophobicContact CD1-CD2 3.75Å; L526-L547 HydrophobicContact CD1-CD1 4.3Å; L526-L560 HydrophobicContact CD1-CD1 4.22Å; L526-L560 HydrophobicContact CG-CD1 4.26Å; L526-L561 PolarHBondContact N-O 2.74Å; L526-V562 HydrophobicContact CB-CG2 4.43Å; L526-V562 HydrophobicContact CD1-CG2 4.37Å; L526-S563 PolarHBondContact O-N 3.48Å
527D96.2Very high88.9Confident1 Ų129.3 Ų29.31%0.00515%0.149CC..THydrogen-bonded Turntrans-83.2130.3-176.6-161.724000112.4T413 Y416 F442 V443 P445 M532 S563T413-D527 WeakPolarHBondContact CB-OD2 3.46Å; T413-D527 WeakPolarHBondContact CG2-OD2 3.38Å; T413-D527 PolarHBondContact OG1-OD2 3.2Å; Y416-D527 VanDerWaalsContact OH-CB 3.3Å; Y416-D527 WeakPolarHBondContact OH-CB 3.2Å; Y416-D527 PolarHBondContact OH-OD1 3.36Å; F442-D527 HydrophobicContact CE1-CB 3.72Å; F442-D527 HydrophobicContact CZ-CB 4Å; V443-D527 PolarHBondContact O-N 2.89Å; P445-D527 WeakPolarHBondContact CD-O 3.42Å; D527-M532 WeakPolarHBondContact O-CE 3.39Å; D527-S563 WeakPolarHBondContact OD1-CB 3.41Å; D527-S563 PolarHBondContact OD1-OG 2.91Å
528N93.1Very high88.6Confident13 Ų1329.4 Ų29.47%0.0715%0.149CC..THydrogen-bonded Turntrans53.652.7-174.2-57.6-60.1000113.7P445 Q449 N530 D531 M532 S563P445-N528 HydrophobicContact CG-CB 3.89Å; Q449-N528 PolarHBondContact OE1-ND2 3.27Å; N528-N530 PolarHBondContact O-N 2.95Å; N528-N530 VanDerWaalsContact O-N 3.11Å; N528-D531 HydrophobicContact CB-CB 4.18Å; N528-D531 WeakPolarHBondContact O-CA 3.39Å; N528-D531 WeakPolarHBondContact O-CB 3.45Å; N528-D531 PolarHBondContact O-N 2.75Å; N528-M532 PolarHBondContact O-N 3.14Å; N528-S563 CarbonylContact C-O 3.59Å; N528-S563 WeakPolarHBondContact CA-O 3.23Å; N528-S563 PolarHBondContact N-O 3.48Å; N528-S563 PolarHBondContact N-OG 2.92Å
529L94.4Very high88.5Confident0 Ų030.3 Ų30.30%015%0.15CC..Hα-helixtrans-49.4-37.6179.4-179.466.8000114.1L526 D531 M532 V533 T540 V562 S563 L571 M572 I576L526-L529 HydrophobicContact CD1-CD1 4.44Å; L529-D531 VanDerWaalsContact C-N 3.27Å; L529-D531 PolarHBondContact O-N 2.97Å; L529-M532 HydrophobicContact CD1-SD 4.14Å; L529-M532 WeakPolarHBondContact O-CB 3.31Å; L529-M532 PolarHBondContact O-N 2.79Å; L529-M532 VanDerWaalsContact O-N 3.12Å; L529-V533 HydrophobicContact CD1-CG2 4.35Å; L529-V533 HydrophobicContact CG-CG2 4.48Å; L529-V533 PolarHBondContact O-N 3.13Å; L529-T540 HydrophobicContact CD1-CG2 3.85Å; L529-V562 HydrophobicContact CB-CG1 4.14Å; L529-V562 HydrophobicContact CD2-CG1 3.84Å; L529-S563 PolarHBondContact N-O 3.3Å; L529-L571 HydrophobicContact CD2-CD2 4Å; L529-L571 HydrophobicContact CD2-CG 4.29Å; L529-L571 HydrophobicContact CG-CD2 4.17Å; L529-M572 HydrophobicContact CD2-CE 4.39Å; L529-M572 HydrophobicContact CD2-SD 4.46Å; L529-I576 HydrophobicContact CD2-CD1 3.52Å; L529-I576 HydrophobicContact CD2-CG1 3.69Å
530N89.5Confident88.7Confident5 Ų526 Ų263%0.02713%0.13CC..Hα-helixtrans-62.6-33175.6-5492.8000112.8N528 R534 G564 R565 I566 H568N528-N530 PolarHBondContact O-N 2.95Å; N528-N530 VanDerWaalsContact O-N 3.11Å; N530-R534 WeakPolarHBondContact O-CB 3.46Å; N530-R534 PolarHBondContact O-N 2.9Å; N530-R534 VanDerWaalsContact O-N 3.14Å; N530-G564 WeakPolarHBondContact OD1-CA 3.43Å; N530-R565 PolarHBondContact OD1-N 3.46Å; N530-I566 PolarHBondContact ND2-O 3.23Å; N530-I566 PolarHBondContact OD1-N 3.08Å; N530-I566 PolarHBondContact OD1-O 2.98Å; N530-H568 PolarHBondContact ND2-CD2 2.72Å; N530-H568 PolarHBondContact ND2-NE2 3.45Å
531D86.6Confident88.6Confident1 Ų127.8 Ų27.81%0.00514%0.137CC..Hα-helixtrans-71.5-37.8174.2-70.9-38.9000110.2P445 N528 L529 R534 V535 R565P445-D531 HydrophobicContact CB-CB 3.72Å; P445-D531 HydrophobicContact CG-CB 3.54Å; N528-D531 HydrophobicContact CB-CB 4.18Å; N528-D531 WeakPolarHBondContact O-CA 3.39Å; N528-D531 WeakPolarHBondContact O-CB 3.45Å; N528-D531 PolarHBondContact O-N 2.75Å; L529-D531 VanDerWaalsContact C-N 3.27Å; L529-D531 PolarHBondContact O-N 2.97Å; D531-R534 PolarHBondContact O-N 2.99Å; D531-R534 IonicContact OD1-CZ 2.68Å; D531-R534 IonicContact OD1-NH1 2.67Å; D531-R534 PolarHBondContact OD1-NH1 3.01Å; D531-R534 IonicContact OD1-NH2 2.64Å; D531-R534 PolarHBondContact OD1-NH2 2.98Å; D531-V535 WeakPolarHBondContact O-CG2 3.34Å; D531-V535 PolarHBondContact O-N 3.07Å; D531-R565 IonicContact OD1-CZ 3.88Å; D531-R565 IonicContact OD1-NE 2.86Å; D531-R565 PolarHBondContact OD1-NE 3.19Å; D531-R565 IonicContact OD1-NH2 3.6Å; D531-R565 PolarHBondContact OD1-NH2 2.75Å; D531-R565 IonicContact OD2-CZ 2.73Å; D531-R565 VanDerWaalsContact OD2-CZ 3.24Å; D531-R565 IonicContact OD2-NE 2.78Å; D531-R565 PolarHBondContact OD2-NE 2.85Å; D531-R565 IonicContact OD2-NH2 2.78Å; D531-R565 PolarHBondContact OD2-NH2 3.36Å
532M89.2Confident88.5Confident3 Ų332.5 Ų32.52%0.01516%0.158CC..Hα-helixtrans-59.9-51.5173.7-54.6-174.6-164.200111.6V443 P445 V500 L526 D527 N528 L529 R534 V535 L536 T540V443-M532 HydrophobicContact CB-CE 4.11Å; V443-M532 HydrophobicContact CG1-CE 4.01Å; V443-M532 HydrophobicContact CG1-SD 4Å; V443-M532 WeakPolarHBondContact O-CE 3.34Å; P445-M532 HydrophobicContact CB-CG 4.23Å; P445-M532 HydrophobicContact CG-CG 4.05Å; V500-M532 HydrophobicContact CG2-CB 4.1Å; V500-M532 HydrophobicContact CG2-CG 4.16Å; V500-M532 HydrophobicContact CG2-SD 3.62Å; L526-M532 HydrophobicContact CB-CE 4.02Å; D527-M532 WeakPolarHBondContact O-CE 3.39Å; N528-M532 PolarHBondContact O-N 3.14Å; L529-M532 HydrophobicContact CD1-SD 4.14Å; L529-M532 WeakPolarHBondContact O-CB 3.31Å; L529-M532 PolarHBondContact O-N 2.79Å; L529-M532 VanDerWaalsContact O-N 3.12Å; M532-R534 PolarHBondContact O-N 2.79Å; M532-V535 PolarHBondContact O-N 2.87Å; M532-L536 CarbonylContact O-C 3.58Å; M532-L536 PolarHBondContact O-N 3.02Å; M532-T540 HydrophobicContact CB-CG2 4.15Å; M532-T540 PolarHBondContact O-OG1 2.97Å
533V85.8Confident88.4Confident18 Ų1828.6 Ų28.611%0.10914%0.141CC..Hα-helixtrans-64.6-25.8180175.30000112L529 P537 T540 L571L529-V533 HydrophobicContact CD1-CG2 4.35Å; L529-V533 HydrophobicContact CG-CG2 4.48Å; L529-V533 PolarHBondContact O-N 3.13Å; V533-P537 WeakPolarHBondContact O-CA 3.44Å; V533-P537 VanDerWaalsContact O-CB 3.31Å; V533-P537 WeakPolarHBondContact O-CB 3.13Å; V533-P537 WeakPolarHBondContact O-CD 3.19Å; V533-T540 HydrophobicContact CG2-CG2 3.61Å; V533-L571 HydrophobicContact CG2-CD1 4.13Å; V533-L571 HydrophobicContact CG2-CD2 3.84Å
534R78.1Confident88.3Confident150 Ų15028.4 Ų28.457%0.56614%0.139SC*.Hα-helixtrans-73-40.6174-174-179.363.7-107.1-8.3112.9N530 D531 M532N530-R534 WeakPolarHBondContact O-CB 3.46Å; N530-R534 PolarHBondContact O-N 2.9Å; N530-R534 VanDerWaalsContact O-N 3.14Å; D531-R534 PolarHBondContact O-N 2.99Å; D531-R534 IonicContact OD1-CZ 2.68Å; D531-R534 IonicContact OD1-NH1 2.67Å; D531-R534 PolarHBondContact OD1-NH1 3.01Å; D531-R534 IonicContact OD1-NH2 2.64Å; D531-R534 PolarHBondContact OD1-NH2 2.98Å; M532-R534 PolarHBondContact O-N 2.79Å
535V74.6Confident88Confident48 Ų4833.7 Ų33.729%0.29116%0.164SC..Hα-helixtrans-83.2-47.6-177.1-178.40000110.8D531 M532 P537D531-V535 WeakPolarHBondContact O-CG2 3.34Å; D531-V535 PolarHBondContact O-N 3.07Å; M532-V535 PolarHBondContact O-N 2.87Å; V535-P537 VanDerWaalsContact C-CD 3.5Å; V535-P537 WeakPolarHBondContact O-CD 3.19Å
536L78.6Confident87.6Confident37 Ų3736.3 Ų36.319%0.19417%0.174CC..SBendtrans-127.464-172.8-65.5173.7000111V500 D501 M532 D539 T540V500-L536 HydrophobicContact CB-CD1 4.13Å; D501-L536 HydrophobicContact CB-CD1 3.82Å; M532-L536 CarbonylContact O-C 3.58Å; M532-L536 PolarHBondContact O-N 3.02Å; L536-D539 HydrophobicContact CB-CB 4.4Å; L536-D539 PolarHBondContact O-N 3.46Å; L536-T540 VanDerWaalsContact O-CB 3.27Å; L536-T540 WeakPolarHBondContact O-CB 3.02Å; L536-T540 PolarHBondContact O-N 2.64Å; L536-T540 PolarHBondContact O-OG1 2.85Å
537P78.8Confident87.2Confident43 Ų4336.4 Ų36.428%0.27917%0.174SC..Hα-helixtrans-56.7-57.5-17518.9-30.6000112.5V533 V535 D539 T540 M541V533-P537 WeakPolarHBondContact O-CA 3.44Å; V533-P537 VanDerWaalsContact O-CB 3.31Å; V533-P537 WeakPolarHBondContact O-CB 3.13Å; V533-P537 WeakPolarHBondContact O-CD 3.19Å; V535-P537 VanDerWaalsContact C-CD 3.5Å; V535-P537 WeakPolarHBondContact O-CD 3.19Å; P537-D539 VanDerWaalsContact C-N 3.33Å; P537-D539 PolarHBondContact O-N 2.77Å; P537-T540 PolarHBondContact O-N 2.9Å; P537-M541 WeakPolarHBondContact O-CG 2.98Å; P537-M541 PolarHBondContact O-N 3.28Å
538N78.7Confident86.9Confident72 Ų7239.7 Ų39.739%0.38520%0.195SC..Hα-helixtrans-61.2-40.4-175.8-65-39.2000112.6K542N538-K542 VanDerWaalsContact O-CG 3.3Å; N538-K542 WeakPolarHBondContact O-CG 3.15Å; N538-K542 PolarHBondContact O-N 2.82Å
539D84.8Confident86.7Confident47 Ų4745.5 Ų45.525%0.25122%0.222SC..Hα-helixtrans-78.4-30.5-178.7-70.1-19000111.8V500 L504 L536 P537 K542 L543V500-D539 VanDerWaalsContact CG1-C 3.47Å; V500-D539 HydrophobicContact CG1-CB 4.14Å; V500-D539 WeakPolarHBondContact CG1-O 3.5Å; L504-D539 HydrophobicContact CD1-CB 3.88Å; L504-D539 VanDerWaalsContact CD1-O 3.27Å; L504-D539 WeakPolarHBondContact CD1-O 3.3Å; L536-D539 HydrophobicContact CB-CB 4.4Å; L536-D539 PolarHBondContact O-N 3.46Å; P537-D539 VanDerWaalsContact C-N 3.33Å; P537-D539 PolarHBondContact O-N 2.77Å; D539-K542 PolarHBondContact O-N 2.67Å; D539-K542 WeakPolarHBondContact OD1-CE 3.5Å; D539-K542 IonicContact OD1-NZ 2.68Å; D539-K542 PolarHBondContact OD1-NZ 3.15Å; D539-L543 WeakPolarHBondContact O-CB 3.29Å; D539-L543 PolarHBondContact O-N 3.13Å
540T90.2Very high86.2Confident1 Ų147.5 Ų47.51%0.00623%0.232CC..Hα-helixtrans-66.4-41.5170.4-51.70000110.6L529 M532 V533 L536 P537 L543 L544L529-T540 HydrophobicContact CD1-CG2 3.85Å; M532-T540 HydrophobicContact CB-CG2 4.15Å; M532-T540 PolarHBondContact O-OG1 2.97Å; V533-T540 HydrophobicContact CG2-CG2 3.61Å; L536-T540 VanDerWaalsContact O-CB 3.27Å; L536-T540 WeakPolarHBondContact O-CB 3.02Å; L536-T540 PolarHBondContact O-N 2.64Å; L536-T540 PolarHBondContact O-OG1 2.85Å; P537-T540 PolarHBondContact O-N 2.9Å; T540-L543 PolarHBondContact O-N 3.22Å; T540-L544 HydrophobicContact CG2-CD1 4.45Å; T540-L544 WeakPolarHBondContact O-CG 3.43Å; T540-L544 PolarHBondContact O-N 3.23Å
541M88.7Confident86.2Confident46 Ų4647.7 Ų47.723%0.22723%0.233CC..Hα-helixtrans-64.3-43.3176.2-63.3-40.4-58.600112.4P537 L543 L544 Q545 L571 H575P537-M541 WeakPolarHBondContact O-CG 2.98Å; P537-M541 PolarHBondContact O-N 3.28Å; M541-L543 VanDerWaalsContact C-N 3.33Å; M541-L543 PolarHBondContact O-N 3.01Å; M541-L544 HydrophobicContact CE-CD1 4.33Å; M541-L544 PolarHBondContact O-N 3.17Å; M541-L544 HydrophobicContact SD-CD1 4.39Å; M541-Q545 WeakPolarHBondContact O-CG 3.4Å; M541-Q545 PolarHBondContact O-N 3.34Å; M541-L571 HydrophobicContact CE-CD1 4.32Å; M541-L571 HydrophobicContact SD-CD1 3.96Å; M541-H575 HydrophobicContact CE-CB 4.16Å; M541-H575 WeakPolarHBondContact CE-CD2 3.44Å; M541-H575 WeakPolarHBondContact CE-NE2 3.39Å
542K89.9Confident86.2Confident101 Ų10151.9 Ų51.944%0.43925%0.252SS..Hα-helixtrans-58.1-44.2172.5-70.8168.8-159164.80111.9L504 N538 D539 Q545 R546L504-K542 HydrophobicContact CD1-CB 3.93Å; L504-K542 HydrophobicContact CD1-CD 4.4Å; N538-K542 VanDerWaalsContact O-CG 3.3Å; N538-K542 WeakPolarHBondContact O-CG 3.15Å; N538-K542 PolarHBondContact O-N 2.82Å; D539-K542 PolarHBondContact O-N 2.67Å; D539-K542 WeakPolarHBondContact OD1-CE 3.5Å; D539-K542 IonicContact OD1-NZ 2.68Å; D539-K542 PolarHBondContact OD1-NZ 3.15Å; K542-Q545 PolarHBondContact O-N 3.34Å; K542-R546 WeakPolarHBondContact O-CG 3.44Å; K542-R546 PolarHBondContact O-N 2.73Å
543L92.1Very high86.1Confident3 Ų352.5 Ų52.52%0.01626%0.256CS..Hα-helixtrans-60.3-50.1177.9177.561.1000110.7V500 L503 L504 L507 D539 T540 M541 Q545 R546 L547V500-L543 HydrophobicContact CB-CD2 4.4Å; V500-L543 HydrophobicContact CG1-CB 4.24Å; V500-L543 HydrophobicContact CG1-CD2 4.07Å; V500-L543 HydrophobicContact CG2-CD2 4.15Å; L503-L543 HydrophobicContact CD2-CD1 3.72Å; L503-L543 HydrophobicContact CD2-CD2 4.04Å; L503-L543 HydrophobicContact CG-CD1 4.2Å; L504-L543 HydrophobicContact CD2-CB 4.28Å; L504-L543 HydrophobicContact CD2-CD1 4.32Å; L504-L543 HydrophobicContact CG-CB 4.3Å; L507-L543 HydrophobicContact CD1-CD1 4.25Å; D539-L543 WeakPolarHBondContact O-CB 3.29Å; D539-L543 PolarHBondContact O-N 3.13Å; T540-L543 PolarHBondContact O-N 3.22Å; M541-L543 VanDerWaalsContact C-N 3.33Å; M541-L543 PolarHBondContact O-N 3.01Å; L543-Q545 VanDerWaalsContact C-N 3.27Å; L543-Q545 PolarHBondContact O-N 3.35Å; L543-R546 PolarHBondContact O-N 2.91Å; L543-R546 VanDerWaalsContact O-N 3.07Å; L543-L547 HydrophobicContact CD1-CD2 4.21Å; L543-L547 WeakPolarHBondContact O-CG 3.43Å; L543-L547 PolarHBondContact O-N 2.89Å
544L92.9Very high85.8Confident5 Ų554.7 Ų54.73%0.02627%0.269CS..Hα-helixtrans-59.7-35.5178.6-67.3178.9000112.9L526 T540 M541 L547 P548 L571 H575 I576L526-L544 HydrophobicContact CD1-CD2 3.75Å; T540-L544 HydrophobicContact CG2-CD1 4.45Å; T540-L544 WeakPolarHBondContact O-CG 3.43Å; T540-L544 PolarHBondContact O-N 3.23Å; M541-L544 HydrophobicContact CE-CD1 4.33Å; M541-L544 PolarHBondContact O-N 3.17Å; M541-L544 HydrophobicContact SD-CD1 4.39Å; L544-L547 HydrophobicContact CD2-CD1 4.11Å; L544-P548 VanDerWaalsContact O-CD 3.27Å; L544-P548 WeakPolarHBondContact O-CD 3.21Å; L544-L571 HydrophobicContact CD1-CD1 3.78Å; L544-H575 HydrophobicContact CD1-CB 4.16Å; L544-I576 HydrophobicContact CD1-CD1 3.83Å; L544-I576 HydrophobicContact CD2-CD1 3.53Å; L544-I576 HydrophobicContact CG-CD1 4.33Å
545Q90.8Very high85.5Confident112 Ų11250.4 Ų50.452%0.52326%0.256SS..Hα-helixtrans-67-40.1173.5-72.9168.3-25.200112.4M541 K542 L543 P548M541-Q545 WeakPolarHBondContact O-CG 3.4Å; M541-Q545 PolarHBondContact O-N 3.34Å; K542-Q545 PolarHBondContact O-N 3.34Å; L543-Q545 VanDerWaalsContact C-N 3.27Å; L543-Q545 PolarHBondContact O-N 3.35Å; Q545-P548 WeakPolarHBondContact O-CD 3.43Å; Q545-P548 WeakPolarHBondContact O-CG 3.46Å
546R89.1Confident85.5Confident55 Ų5554.8 Ų54.821%0.20828%0.277CS..Hα-helixtrans-79-19.4-179.8-65.5-163.168.1-158.5-10.8114.8L507 N508 K542 L543 E549 M550L507-R546 PolarHBondContact O-NH1 3.25Å; N508-R546 PolarHBondContact OD1-NH1 3.3Å; K542-R546 WeakPolarHBondContact O-CG 3.44Å; K542-R546 PolarHBondContact O-N 2.73Å; L543-R546 PolarHBondContact O-N 2.91Å; L543-R546 VanDerWaalsContact O-N 3.07Å; R546-E549 WeakPolarHBondContact CG-OE2 3.5Å; R546-E549 IonicContact NE-OE2 3.74Å; R546-E549 PolarHBondContact NE-OE2 3.45Å; R546-E549 WeakPolarHBondContact O-CB 3.4Å; R546-E549 PolarHBondContact O-N 3.25Å; R546-M550 WeakPolarHBondContact O-CG 3.37Å; R546-M550 PolarHBondContact O-N 3.2Å
547L90.3Very high85.9Confident4 Ų457.3 Ų57.32%0.02129%0.287CS..Hα-helixtrans-55.2-52.9177.7-74.5-175.4000113.7I524 L526 L543 L544 E549 M550 F551 L553 L579I524-L547 HydrophobicContact CD1-CD2 3.86Å; I524-L547 HydrophobicContact CG2-CD2 4.46Å; L526-L547 HydrophobicContact CD1-CD1 4.3Å; L543-L547 HydrophobicContact CD1-CD2 4.21Å; L543-L547 WeakPolarHBondContact O-CG 3.43Å; L543-L547 PolarHBondContact O-N 2.89Å; L544-L547 HydrophobicContact CD2-CD1 4.11Å; L547-E549 VanDerWaalsContact C-N 3.31Å; L547-E549 PolarHBondContact O-N 2.89Å; L547-M550 PolarHBondContact O-N 3.46Å; L547-F551 HydrophobicContact CD2-CD2 3.97Å; L547-F551 HydrophobicContact CD2-CE2 4.01Å; L547-F551 WeakPolarHBondContact O-CD2 3.34Å; L547-F551 PolarHBondContact O-N 3.29Å; L547-L553 HydrophobicContact CB-CD1 4.22Å; L547-L579 HydrophobicContact CB-CD1 4.46Å
548P89.2Confident86.5Confident69 Ų6955.4 Ų55.445%0.44827%0.274SS..Hα-helixtrans-69.2-22.5177.827.3-36.3000114.4L544 Q545 M550 L579L544-P548 VanDerWaalsContact O-CD 3.27Å; L544-P548 WeakPolarHBondContact O-CD 3.21Å; Q545-P548 WeakPolarHBondContact O-CD 3.43Å; Q545-P548 WeakPolarHBondContact O-CG 3.46Å; P548-M550 PolarHBondContact O-N 2.94Å; P548-L579 HydrophobicContact CB-CD2 3.89Å; P548-L579 HydrophobicContact CG-CD2 3.83Å
549E88.3Confident87.2Confident136 Ų13652.5 Ų52.564%0.63626%0.258SS*.Hα-helixtrans-66.3-30.4172.4-55.5175.7161.900111.8R546 L547R546-E549 WeakPolarHBondContact CG-OE2 3.5Å; R546-E549 IonicContact NE-OE2 3.74Å; R546-E549 PolarHBondContact NE-OE2 3.45Å; R546-E549 WeakPolarHBondContact O-CB 3.4Å; R546-E549 PolarHBondContact O-N 3.25Å; L547-E549 VanDerWaalsContact C-N 3.31Å; L547-E549 PolarHBondContact O-N 2.89Å
550M84.6Confident87.7Confident41 Ų4150.2 Ų50.220%0.20225%0.246CC..Hα-helixtrans-103.7-33.5-170.9-70.3-165.159.300114.1L507 A518 R546 L547 P548L507-M550 HydrophobicContact CD1-SD 3.95Å; L507-M550 HydrophobicContact CD2-CE 3.56Å; L507-M550 HydrophobicContact CD2-SD 3.74Å; L507-M550 HydrophobicContact CG-SD 4.35Å; A518-M550 WeakPolarHBondContact CB-O 3.46Å; R546-M550 WeakPolarHBondContact O-CG 3.37Å; R546-M550 PolarHBondContact O-N 3.2Å; L547-M550 PolarHBondContact O-N 3.46Å; P548-M550 PolarHBondContact O-N 2.94Å
551F88.6Confident88.1Confident9 Ų950.2 Ų50.24%0.03925%0.246CC..  trans-127.2136.2-166.5-55.6-71.3000112.3I441 F516 A518 V521 I524 L547 L553I441-F551 HydrophobicContact CD1-CE1 4.43Å; I441-F551 HydrophobicContact CD1-CZ 3.84Å; F516-F551 HydrophobicContact CE2-CE1 4.18Å; F516-F551 HydrophobicContact CE2-CZ 4.08Å; F516-F551 HydrophobicContact CZ-CZ 4.37Å; A518-F551 HydrophobicContact CB-CD1 4.14Å; A518-F551 HydrophobicContact CB-CE1 3.92Å; V521-F551 HydrophobicContact CB-CD1 4.02Å; V521-F551 HydrophobicContact CB-CE1 3.75Å; V521-F551 HydrophobicContact CG1-CD1 4.26Å; V521-F551 HydrophobicContact CG1-CE1 4.02Å; V521-F551 HydrophobicContact CG2-CD1 4.48Å; V521-F551 HydrophobicContact CG2-CE1 3.73Å; I524-F551 HydrophobicContact CD1-CB 4.29Å; I524-F551 HydrophobicContact CD1-CD1 4.19Å; I524-F551 HydrophobicContact CD1-CD2 3.37Å; I524-F551 HydrophobicContact CD1-CE1 4.4Å; I524-F551 HydrophobicContact CD1-CE2 3.63Å; I524-F551 HydrophobicContact CD1-CG 3.68Å; I524-F551 HydrophobicContact CD1-CZ 4.14Å; L547-F551 HydrophobicContact CD2-CD2 3.97Å; L547-F551 HydrophobicContact CD2-CE2 4.01Å; L547-F551 WeakPolarHBondContact O-CD2 3.34Å; L547-F551 PolarHBondContact O-N 3.29Å; F551-L553 HydrophobicContact CB-CD2 3.87Å; F551-L553 HydrophobicContact CB-CG 4.16Å; F551-L553 PolarHBondContact O-N 3.39Å
552Q87.8Confident88.5Confident89 Ų8948 Ų4842%0.41624%0.235SC..  trans-79.185.4173.2-70175.8500109.3T554 K557 C558Q552-T554 PolarHBondContact O-N 3.02Å; Q552-K557 HydrophobicContact CB-CB 3.95Å; Q552-K557 HydrophobicContact CB-CG 4.22Å; Q552-K557 WeakPolarHBondContact O-CB 3.41Å; Q552-K557 VanDerWaalsContact OE1-CE 3.25Å; Q552-C558 WeakPolarHBondContact O-CB 3.46Å; Q552-C558 PolarHBondContact O-N 3.26Å; Q552-C558 VanDerWaalsContact O-N 3.13Å
553L87.1Confident88.8Confident16 Ų1643.2 Ų43.28%0.08421%0.214CC..  trans-78.163.4-175-59.6176.1000112.4I524 L547 F551 C558 L560 L579 P581I524-L553 HydrophobicContact CD1-CD2 4.43Å; L547-L553 HydrophobicContact CB-CD1 4.22Å; F551-L553 HydrophobicContact CB-CD2 3.87Å; F551-L553 HydrophobicContact CB-CG 4.16Å; F551-L553 PolarHBondContact O-N 3.39Å; L553-C558 HydrophobicContact CD2-CB 4.04Å; L553-L560 HydrophobicContact CD1-CD2 4.36Å; L553-L579 HydrophobicContact CD1-CB 3.87Å; L553-L579 HydrophobicContact CD1-CD1 4.2Å; L553-L579 HydrophobicContact CD1-CD2 4.23Å; L553-L579 HydrophobicContact CD1-CG 4.33Å; L553-P581 WeakPolarHBondContact O-CD 3.23Å
554T79.7Confident88.9Confident65 Ų6543 Ų4340%0.39921%0.214SC..SBendtrans-127.9161.1176.569.30000110.9Q552 N556 K557 C558Q552-T554 PolarHBondContact O-N 3.02Å; T554-N556 PolarHBondContact O-N 2.94Å; T554-K557 PolarHBondContact O-N 3.16Å; T554-K557 VanDerWaalsContact O-N 3.08Å; T554-K557 WeakPolarHBondContact OG1-CB 3.29Å; T554-K557 WeakPolarHBondContact OG1-CG 3.48Å; T554-C558 PolarHBondContact O-N 3.47Å
555Q70.4Confident88.8Confident60 Ų6046.3 Ų46.328%0.2823%0.226SC..THydrogen-bonded Turntrans-51.4141.3170.4-164.5-173.2-37.100110.4K400 K557K400-Q555 HydrophobicContact CG-CG 4.16Å; Q555-K557 PolarHBondContact O-N 2.78Å; Q555-K557 VanDerWaalsContact O-N 3.15Å
556N75.1Confident88.8Confident139 Ų13942.4 Ų42.474%0.74321%0.208SC*.THydrogen-bonded Turntrans64.15.2-177-48.6-26.7000116.2T554T554-N556 PolarHBondContact O-N 2.94Å
557K86.4Confident88.9Confident90 Ų9039.9 Ų39.939%0.39120%0.199SC..THydrogen-bonded Turntrans-113.3-74.4174.6-72.3-68.4-166.6152.80111.8Q552 T554 Q555Q552-K557 HydrophobicContact CB-CB 3.95Å; Q552-K557 HydrophobicContact CB-CG 4.22Å; Q552-K557 WeakPolarHBondContact O-CB 3.41Å; Q552-K557 VanDerWaalsContact OE1-CE 3.25Å; T554-K557 PolarHBondContact O-N 3.16Å; T554-K557 VanDerWaalsContact O-N 3.08Å; T554-K557 WeakPolarHBondContact OG1-CB 3.29Å; T554-K557 WeakPolarHBondContact OG1-CG 3.48Å; Q555-K557 PolarHBondContact O-N 2.78Å; Q555-K557 VanDerWaalsContact O-N 3.15Å
558C91.6Very high88.8Confident3 Ų341 Ų412%0.0220%0.204CC..  trans-139.4115.4176.4-170.10000109.4V521 K522 Q552 L553 T554V521-C558 PolarHBondContact O-SG 3.5Å; K522-C558 WeakPolarHBondContact O-CA 3.15Å; Q552-C558 WeakPolarHBondContact O-CB 3.46Å; Q552-C558 PolarHBondContact O-N 3.26Å; Q552-C558 VanDerWaalsContact O-N 3.13Å; L553-C558 HydrophobicContact CD2-CB 4.04Å; T554-C558 PolarHBondContact O-N 3.47Å
559Q93.5Very high88.7Confident11 Ų1139.1 Ų39.15%0.05119%0.191CC..EExtended strand (participates in β ladder)trans-78.1133.1178.8-173.617717.900109.9V396 G399 K400 K522 C523 I524 L561V396-Q559 PolarHBondContact O-NE2 2.78Å; G399-Q559 VanDerWaalsContact C-CD 3.47Å; K400-Q559 PolarHBondContact O-NE2 3.29Å; K522-Q559 PolarHBondContact O-N 3.07Å; C523-Q559 CarbonylContact C-O 3.51Å; C523-Q559 WeakPolarHBondContact CA-O 3.28Å; I524-Q559 PolarHBondContact N-O 3.05Å; Q559-L561 HydrophobicContact CG-CD2 3.91Å; Q559-L561 HydrophobicContact CG-CG 4.31Å
560L96.2Very high88.5Confident0 Ų035.6 Ų35.60%018%0.177CC..EExtended strand (participates in β ladder)trans-106.8127.1173.8-177.354.9000110.1S401 V402 I524 L526 L553 V562 L579 M580S401-L560 WeakPolarHBondContact CA-O 3.39Å; S401-L560 WeakPolarHBondContact CB-O 3.48Å; S401-L560 PolarHBondContact OG-N 2.79Å; S401-L560 VanDerWaalsContact OG-N 3.15Å; S401-L560 PolarHBondContact OG-O 3.29Å; V402-L560 PolarHBondContact N-O 3.34Å; I524-L560 HydrophobicContact CB-CD1 4.13Å; I524-L560 HydrophobicContact CG2-CD1 4.06Å; I524-L560 WeakPolarHBondContact O-CA 3.49Å; L526-L560 HydrophobicContact CD1-CD1 4.22Å; L526-L560 HydrophobicContact CG-CD1 4.26Å; L553-L560 HydrophobicContact CD1-CD2 4.36Å; L560-V562 HydrophobicContact CD1-CG2 4.14Å; L560-V562 HydrophobicContact CD2-CG2 4.43Å; L560-V562 HydrophobicContact CG-CG2 3.93Å; L560-L579 HydrophobicContact CD2-CB 3.71Å; L560-L579 HydrophobicContact CD2-CD1 4.26Å; L560-M580 HydrophobicContact CB-CE 4.45Å; L560-M580 HydrophobicContact CB-CG 4.21Å; L560-M580 HydrophobicContact CD2-CG 3.71Å; L560-M580 HydrophobicContact CD2-SD 4.22Å; L560-M580 HydrophobicContact CG-CE 4.29Å; L560-M580 HydrophobicContact CG-CG 4.13Å; L560-M580 HydrophobicContact CG-SD 4.36Å; L560-M580 WeakPolarHBondContact O-CE 3.45Å
561L97.3Very high88.7Confident0 Ų034.2 Ų34.20%017%0.17CC..EExtended strand (participates in β ladder)trans-120.1122.6-178.8-53.8171.4000108.3V396 V402 Y416 V420 C523 I524 A525 L526 Q559V396-L561 HydrophobicContact CG1-CD2 4.01Å; V396-L561 HydrophobicContact CG2-CD2 4.14Å; V402-L561 HydrophobicContact CG1-CD2 3.72Å; Y416-L561 HydrophobicContact CD1-CB 4.49Å; Y416-L561 HydrophobicContact CD2-CB 4.24Å; Y416-L561 HydrophobicContact CD2-CD1 3.75Å; Y416-L561 HydrophobicContact CE2-CB 4.49Å; Y416-L561 HydrophobicContact CG-CB 4.25Å; Y416-L561 HydrophobicContact CG-CD1 3.98Å; V420-L561 HydrophobicContact CG2-CD1 3.31Å; C523-L561 WeakPolarHBondContact SG-CD1 3.07Å; I524-L561 PolarHBondContact O-N 3.24Å; A525-L561 CarbonylContact C-O 3.51Å; A525-L561 WeakPolarHBondContact CA-O 3.48Å; A525-L561 HydrophobicContact CB-CB 4.22Å; A525-L561 HydrophobicContact CB-CD1 4.4Å; L526-L561 PolarHBondContact N-O 2.74Å; Q559-L561 HydrophobicContact CG-CD2 3.91Å; Q559-L561 HydrophobicContact CG-CG 4.31Å
562V97.3Very high88.8Confident0 Ų033.8 Ų33.80%017%0.168CC..EExtended strand (participates in β ladder)trans-129.7137.8-175.6-173.10000110.2V402 L403 V404 L526 L529 L560 I576 M580V402-V562 PolarHBondContact O-N 3.43Å; L403-V562 WeakPolarHBondContact CA-O 3.3Å; L403-V562 HydrophobicContact CD1-CB 3.74Å; L403-V562 HydrophobicContact CD1-CG1 3.61Å; V404-V562 PolarHBondContact N-O 3.46Å; L526-V562 HydrophobicContact CB-CG2 4.43Å; L526-V562 HydrophobicContact CD1-CG2 4.37Å; L529-V562 HydrophobicContact CB-CG1 4.14Å; L529-V562 HydrophobicContact CD2-CG1 3.84Å; L560-V562 HydrophobicContact CD1-CG2 4.14Å; L560-V562 HydrophobicContact CD2-CG2 4.43Å; L560-V562 HydrophobicContact CG-CG2 3.93Å; V562-I576 HydrophobicContact CB-CG2 4.49Å; V562-I576 HydrophobicContact CG1-CG2 4.36Å; V562-I576 HydrophobicContact CG2-CG2 4.04Å; V562-M580 HydrophobicContact CB-CE 4.45Å; V562-M580 HydrophobicContact CG2-CE 3.95Å; V562-M580 HydrophobicContact CG2-SD 4.02Å
563S96.5Very high88.7Confident0 Ų031.2 Ų31.20%016%0.158CC..EExtended strand (participates in β ladder)trans-129.9137178.2145.70000110V404 K412 L526 D527 N528 L529V404-S563 CarbonylContact O-C 3.57Å; V404-S563 WeakPolarHBondContact O-CA 3.41Å; K412-S563 WeakPolarHBondContact CD-OG 3.43Å; K412-S563 WeakPolarHBondContact CE-OG 2.99Å; L526-S563 PolarHBondContact O-N 3.48Å; D527-S563 WeakPolarHBondContact OD1-CB 3.41Å; D527-S563 PolarHBondContact OD1-OG 2.91Å; N528-S563 CarbonylContact C-O 3.59Å; N528-S563 WeakPolarHBondContact CA-O 3.23Å; N528-S563 PolarHBondContact N-O 3.48Å; N528-S563 PolarHBondContact N-OG 2.92Å; L529-S563 PolarHBondContact N-O 3.3Å
564G94.3Very high88.6Confident0 Ų036.2 Ų36.20%018%0.181CC..EExtended strand (participates in β ladder)trans-140.7160.8-174.400000113.1V404 G406 K412 N530V404-G564 PolarHBondContact O-N 3.44Å; G406-G564 PolarHBondContact N-O 3.44Å; K412-G564 WeakPolarHBondContact CD-O 3.25Å; K412-G564 WeakPolarHBondContact CE-O 3.15Å; K412-G564 PolarHBondContact NZ-O 2.87Å; N530-G564 WeakPolarHBondContact OD1-CA 3.43Å
565R90.4Very high89.1Confident74 Ų7435.9 Ų35.928%0.27918%0.175SC..SBendtrans-96.7-30.8170-60.6-168.7-161.2-161.38.5112.9G406 N530 D531G406-R565 WeakPolarHBondContact O-CA 3.29Å; N530-R565 PolarHBondContact OD1-N 3.46Å; D531-R565 IonicContact OD1-CZ 3.88Å; D531-R565 IonicContact OD1-NE 2.86Å; D531-R565 PolarHBondContact OD1-NE 3.19Å; D531-R565 IonicContact OD1-NH2 3.6Å; D531-R565 PolarHBondContact OD1-NH2 2.75Å; D531-R565 IonicContact OD2-CZ 2.73Å; D531-R565 VanDerWaalsContact OD2-CZ 3.24Å; D531-R565 IonicContact OD2-NE 2.78Å; D531-R565 PolarHBondContact OD2-NE 2.85Å; D531-R565 IonicContact OD2-NH2 2.78Å; D531-R565 PolarHBondContact OD2-NH2 3.36Å
566I91.2Very high90.1Very high30 Ų3033 Ų3315%0.15416%0.161CC..SBendtrans-140.1138.7-165.9-51.5174.5000108.8N530 H568 E592 K752 H753N530-I566 PolarHBondContact ND2-O 3.23Å; N530-I566 PolarHBondContact OD1-N 3.08Å; N530-I566 PolarHBondContact OD1-O 2.98Å; I566-H568 PolarHBondContact O-N 3.16Å; I566-E592 VanDerWaalsContact CA-OE2 3.25Å; I566-E592 WeakPolarHBondContact CA-OE2 3.49Å; I566-E592 WeakPolarHBondContact CG2-OE2 3.04Å; I566-K752 HydrophobicContact CD1-CB 4.28Å; I566-K752 HydrophobicContact CD1-CD 3.96Å; I566-K752 HydrophobicContact CD1-CG 4.23Å; I566-H753 WeakPolarHBondContact CG2-CE1 3.32Å; I566-H753 WeakPolarHBondContact CG2-NE2 3.34Å
567W91.6Very high90.9Very high2 Ų227.5 Ų27.51%0.00813%0.132CC..  trans-7782.6171.7-172.3-94.5000111.4L403 V405 T569 M572 V573 L577 V585 F587 E592 V595 Y596 H753L403-W567 HydrophobicContact CD2-CH2 4.11Å; L403-W567 HydrophobicContact CD2-CZ3 3.69Å; V405-W567 HydrophobicContact CG2-CE3 4.17Å; W567-T569 PolarHBondContact NE1-OG1 2.81Å; W567-T569 PolarHBondContact O-N 3.33Å; W567-T569 VanDerWaalsContact O-N 3.09Å; W567-M572 HydrophobicContact CD2-CB 4.32Å; W567-M572 HydrophobicContact CD2-CG 4.13Å; W567-M572 HydrophobicContact CE3-CB 4.28Å; W567-M572 HydrophobicContact CE3-CG 3.95Å; W567-M572 HydrophobicContact CH2-CB 3.53Å; W567-M572 HydrophobicContact CH2-CG 4.08Å; W567-M572 HydrophobicContact CZ2-CB 3.53Å; W567-M572 HydrophobicContact CZ2-CG 4.23Å; W567-M572 HydrophobicContact CZ3-CB 3.93Å; W567-M572 HydrophobicContact CZ3-CG 3.94Å; W567-V573 HydrophobicContact CZ2-CG2 4.31Å; W567-L577 HydrophobicContact CH2-CD1 4.06Å; W567-L577 HydrophobicContact CZ2-CD1 4.4Å; W567-V585 HydrophobicContact CZ3-CG1 4.09Å; W567-F587 HydrophobicContact CB-CE1 4.25Å; W567-F587 AromaticContact CD2-CE1 3.97Å; W567-F587 HydrophobicContact CD2-CE1 3.97Å; W567-F587 HydrophobicContact CD2-CZ 4.01Å; W567-F587 AromaticContact CE3-CE1 3.47Å; W567-F587 HydrophobicContact CE3-CE1 3.47Å; W567-F587 VanDerWaalsContact CE3-CE1 3.47Å; W567-F587 AromaticContact CE3-CZ 3.42Å; W567-F587 HydrophobicContact CE3-CZ 3.42Å; W567-F587 VanDerWaalsContact CE3-CZ 3.42Å; W567-F587 HydrophobicContact CG-CE1 4.28Å; W567-F587 HydrophobicContact CH2-CZ 4.48Å; W567-F587 HydrophobicContact CZ3-CE1 4.17Å; W567-F587 AromaticContact CZ3-CZ 3.68Å; W567-F587 HydrophobicContact CZ3-CZ 3.68Å; W567-E592 PolarHBondContact N-OE2 2.76Å; W567-V595 HydrophobicContact CB-CG1 4.48Å; W567-Y596 HydrophobicContact CD2-CD2 4.33Å; W567-Y596 AromaticContact CE2-CD2 3.77Å; W567-Y596 AromaticContact CH2-CD2 3.83Å; W567-Y596 HydrophobicContact CH2-CD2 3.83Å; W567-Y596 HydrophobicContact CH2-CE2 4.24Å; W567-Y596 AromaticContact CZ2-CD2 3.53Å; W567-Y596 HydrophobicContact CZ2-CD2 3.53Å; W567-Y596 HydrophobicContact CZ2-CE2 4.18Å; W567-Y596 HydrophobicContact CZ3-CD2 4.35Å; W567-H753 PolarHBondContact O-CE1 2.95Å; W567-H753 PolarHBondContact O-ND1 3.32Å
568H88Confident91Very high27 Ų2727.3 Ų27.313%0.12514%0.14CC..  trans-74.995.5168.9-70.1-174.1000109.2N530 I566 D570 L571 M572N530-H568 PolarHBondContact ND2-CD2 2.72Å; N530-H568 PolarHBondContact ND2-NE2 3.45Å; I566-H568 PolarHBondContact O-N 3.16Å; H568-D570 PolarHBondContact O-N 3.37Å; H568-L571 HydrophobicContact CB-CB 3.92Å; H568-L571 HydrophobicContact CB-CD2 4.27Å; H568-L571 PolarHBondContact O-N 3.22Å; H568-M572 WeakPolarHBondContact O-CG 3.45Å; H568-M572 PolarHBondContact O-N 2.92Å
569T86.3Confident90.9Very high30 Ų3028.2 Ų28.218%0.18414%0.144CC..Hα-helixtrans-43.4-60.3-176.6-69.90000113.5V332 W567 L571 M572 V573V332-T569 HydrophobicContact CB-CG2 4.4Å; V332-T569 HydrophobicContact CG1-CG2 3.96Å; V332-T569 HydrophobicContact CG2-CG2 3.48Å; V332-T569 VanDerWaalsContact CG2-CG2 3.48Å; W567-T569 PolarHBondContact NE1-OG1 2.81Å; W567-T569 PolarHBondContact O-N 3.33Å; W567-T569 VanDerWaalsContact O-N 3.09Å; T569-L571 VanDerWaalsContact C-N 3.3Å; T569-L571 PolarHBondContact O-N 3.39Å; T569-M572 PolarHBondContact O-N 3.07Å; T569-M572 VanDerWaalsContact O-N 3.16Å; T569-V573 HydrophobicContact CG2-CG2 4.08Å; T569-V573 VanDerWaalsContact O-CB 3.26Å; T569-V573 WeakPolarHBondContact O-CB 3.44Å; T569-V573 WeakPolarHBondContact O-CG2 3.32Å; T569-V573 PolarHBondContact O-N 3Å
570D84.4Confident90.8Very high62 Ų6227.8 Ų27.833%0.33214%0.142SC..Hα-helixtrans-54.5-47.6-175.4-34.1-33.8000111.7H568 Q574 K754H568-D570 PolarHBondContact O-N 3.37Å; D570-Q574 WeakPolarHBondContact O-CB 3.5Å; D570-Q574 WeakPolarHBondContact O-CG 3.41Å; D570-Q574 PolarHBondContact O-N 2.78Å; D570-K754 WeakPolarHBondContact OD2-CE 3.48Å; D570-K754 IonicContact OD2-NZ 3.97Å; D570-K754 PolarHBondContact OD2-NZ 3.44Å
571L88.4Confident90Very high12 Ų1230.3 Ų30.36%0.06316%0.159CC..Hα-helixtrans-61.7-49.4-180177.566.8000111.3L529 V533 M541 L544 H568 T569 H575 I576L529-L571 HydrophobicContact CD2-CD2 4Å; L529-L571 HydrophobicContact CD2-CG 4.29Å; L529-L571 HydrophobicContact CG-CD2 4.17Å; V533-L571 HydrophobicContact CG2-CD1 4.13Å; V533-L571 HydrophobicContact CG2-CD2 3.84Å; M541-L571 HydrophobicContact CE-CD1 4.32Å; M541-L571 HydrophobicContact SD-CD1 3.96Å; L544-L571 HydrophobicContact CD1-CD1 3.78Å; H568-L571 HydrophobicContact CB-CB 3.92Å; H568-L571 HydrophobicContact CB-CD2 4.27Å; H568-L571 PolarHBondContact O-N 3.22Å; T569-L571 VanDerWaalsContact C-N 3.3Å; T569-L571 PolarHBondContact O-N 3.39Å; L571-H575 WeakPolarHBondContact O-CB 3.31Å; L571-H575 PolarHBondContact O-N 2.89Å; L571-I576 PolarHBondContact O-N 2.94Å
572M90.4Very high89.3Confident0 Ų031.9 Ų31.90%017%0.167CC..Iπ-helixtrans-71.5-44.1-175.2-61.4-58.9178.300111.5L403 L529 W567 H568 T569 I576 L577L403-M572 HydrophobicContact CD1-CE 4.42Å; L403-M572 HydrophobicContact CD1-SD 4.04Å; L403-M572 HydrophobicContact CD2-SD 4.14Å; L529-M572 HydrophobicContact CD2-CE 4.39Å; L529-M572 HydrophobicContact CD2-SD 4.46Å; W567-M572 HydrophobicContact CD2-CB 4.32Å; W567-M572 HydrophobicContact CD2-CG 4.13Å; W567-M572 HydrophobicContact CE3-CB 4.28Å; W567-M572 HydrophobicContact CE3-CG 3.95Å; W567-M572 HydrophobicContact CH2-CB 3.53Å; W567-M572 HydrophobicContact CH2-CG 4.08Å; W567-M572 HydrophobicContact CZ2-CB 3.53Å; W567-M572 HydrophobicContact CZ2-CG 4.23Å; W567-M572 HydrophobicContact CZ3-CB 3.93Å; W567-M572 HydrophobicContact CZ3-CG 3.94Å; H568-M572 WeakPolarHBondContact O-CG 3.45Å; H568-M572 PolarHBondContact O-N 2.92Å; T569-M572 PolarHBondContact O-N 3.07Å; T569-M572 VanDerWaalsContact O-N 3.16Å; M572-I576 PolarHBondContact O-N 2.91Å; M572-I576 HydrophobicContact SD-CB 4.37Å; M572-I576 HydrophobicContact SD-CG1 4.19Å; M572-I576 HydrophobicContact SD-CG2 4.47Å; M572-L577 WeakPolarHBondContact O-CB 3.48Å; M572-L577 WeakPolarHBondContact O-CG 3.44Å; M572-L577 PolarHBondContact O-N 3.13Å
573V86.3Confident89.1Confident34 Ų3432 Ų3221%0.20617%0.168CC..Iπ-helixtrans-74.7-43.4-175.9172.40000112.4V332 F335 W567 T569 P578V332-V573 HydrophobicContact CG1-CG2 4.41Å; F335-V573 HydrophobicContact CE2-CB 4.38Å; F335-V573 HydrophobicContact CE2-CG1 3.86Å; F335-V573 HydrophobicContact CE2-CG2 4.23Å; F335-V573 HydrophobicContact CZ-CG1 4.04Å; W567-V573 HydrophobicContact CZ2-CG2 4.31Å; T569-V573 HydrophobicContact CG2-CG2 4.08Å; T569-V573 VanDerWaalsContact O-CB 3.26Å; T569-V573 WeakPolarHBondContact O-CB 3.44Å; T569-V573 WeakPolarHBondContact O-CG2 3.32Å; T569-V573 PolarHBondContact O-N 3Å; V573-P578 WeakPolarHBondContact O-CD 3.27Å
574Q86Confident89Confident121 Ų12132 Ų3257%0.56517%0.168SC*.Iπ-helixtrans-91.7-24.1-171.8-54.41764.900113.2D570D570-Q574 WeakPolarHBondContact O-CB 3.5Å; D570-Q574 WeakPolarHBondContact O-CG 3.41Å; D570-Q574 PolarHBondContact O-N 2.78Å
575H89Confident89Confident58 Ų5832.1 Ų32.127%0.26917%0.169SC..Iπ-helixtrans-128.8-15.1-170-56.3-69.4000116M541 L544 L571 L579M541-H575 HydrophobicContact CE-CB 4.16Å; M541-H575 WeakPolarHBondContact CE-CD2 3.44Å; M541-H575 WeakPolarHBondContact CE-NE2 3.39Å; L544-H575 HydrophobicContact CD1-CB 4.16Å; L571-H575 WeakPolarHBondContact O-CB 3.31Å; L571-H575 PolarHBondContact O-N 2.89Å; H575-L579 VanDerWaalsContact O-CD1 3.32Å; H575-L579 WeakPolarHBondContact O-CD1 3.27Å
576I92.9Very high89.3Confident0 Ų028.6 Ų28.60%016%0.156CC..Iπ-helixtrans-110.9-58.1-178.4-60.5-62.8000111.9L403 L529 L544 V562 L571 M572 P578 L579 M580L403-I576 HydrophobicContact CD2-CG2 4.4Å; L529-I576 HydrophobicContact CD2-CD1 3.52Å; L529-I576 HydrophobicContact CD2-CG1 3.69Å; L544-I576 HydrophobicContact CD1-CD1 3.83Å; L544-I576 HydrophobicContact CD2-CD1 3.53Å; L544-I576 HydrophobicContact CG-CD1 4.33Å; V562-I576 HydrophobicContact CB-CG2 4.49Å; V562-I576 HydrophobicContact CG1-CG2 4.36Å; V562-I576 HydrophobicContact CG2-CG2 4.04Å; L571-I576 PolarHBondContact O-N 2.94Å; M572-I576 PolarHBondContact O-N 2.91Å; M572-I576 HydrophobicContact SD-CB 4.37Å; M572-I576 HydrophobicContact SD-CG1 4.19Å; M572-I576 HydrophobicContact SD-CG2 4.47Å; I576-P578 VanDerWaalsContact C-CD 3.42Å; I576-P578 VanDerWaalsContact C-N 3.35Å; I576-L579 WeakPolarHBondContact O-CA 3.41Å; I576-L579 WeakPolarHBondContact O-CB 3.31Å; I576-L579 PolarHBondContact O-N 2.83Å; I576-M580 HydrophobicContact CG2-SD 3.45Å; I576-M580 WeakPolarHBondContact CG2-SD 3.47Å; I576-M580 WeakPolarHBondContact O-CG 3.15Å
577L90.3Very high89.4Confident23 Ų2327.2 Ų27.212%0.1215%0.148CC..G310 helixtrans-57.1-35.9-179.3-69.1176000114.4F335 L403 W567 M572 L579 M580 V583 V585F335-L577 HydrophobicContact CD2-CD1 3.9Å; F335-L577 HydrophobicContact CE2-CB 4.48Å; F335-L577 HydrophobicContact CE2-CD1 3.58Å; F335-L577 HydrophobicContact CZ-CD1 4.5Å; L403-L577 HydrophobicContact CD2-CD2 4.11Å; W567-L577 HydrophobicContact CH2-CD1 4.06Å; W567-L577 HydrophobicContact CZ2-CD1 4.4Å; M572-L577 WeakPolarHBondContact O-CB 3.48Å; M572-L577 WeakPolarHBondContact O-CG 3.44Å; M572-L577 PolarHBondContact O-N 3.13Å; L577-L579 PolarHBondContact O-N 3.05Å; L577-M580 PolarHBondContact O-N 3.49Å; L577-V583 HydrophobicContact CD2-CG1 3.99Å; L577-V585 HydrophobicContact CD2-CG2 4.04Å
578P89.1Confident89.5Confident87 Ų8729.5 Ų29.557%0.56516%0.161SC*.G310 helixtrans-61.6-21.1173.8-25.236.7000114.2V573 I576 M580V573-P578 WeakPolarHBondContact O-CD 3.27Å; I576-P578 VanDerWaalsContact C-CD 3.42Å; I576-P578 VanDerWaalsContact C-N 3.35Å; P578-M580 VanDerWaalsContact C-N 3.34Å
579L89.9Confident89.7Confident21 Ų2128.5 Ų28.511%0.1116%0.156CC..G310 helixtrans-90.55177.5-51.6-176.6000112.9L547 P548 L553 L560 H575 I576 L577L547-L579 HydrophobicContact CB-CD1 4.46Å; P548-L579 HydrophobicContact CB-CD2 3.89Å; P548-L579 HydrophobicContact CG-CD2 3.83Å; L553-L579 HydrophobicContact CD1-CB 3.87Å; L553-L579 HydrophobicContact CD1-CD1 4.2Å; L553-L579 HydrophobicContact CD1-CD2 4.23Å; L553-L579 HydrophobicContact CD1-CG 4.33Å; L560-L579 HydrophobicContact CD2-CB 3.71Å; L560-L579 HydrophobicContact CD2-CD1 4.26Å; H575-L579 VanDerWaalsContact O-CD1 3.32Å; H575-L579 WeakPolarHBondContact O-CD1 3.27Å; I576-L579 WeakPolarHBondContact O-CA 3.41Å; I576-L579 WeakPolarHBondContact O-CB 3.31Å; I576-L579 PolarHBondContact O-N 2.83Å; L577-L579 PolarHBondContact O-N 3.05Å
580M90.3Very high90.1Very high2 Ų227.3 Ų27.31%0.0115%0.149CC..  trans-140.467.8-168.2-51.9174.782.700111.9V402 L403 L560 V562 I576 L577 P578 D582 V583V402-M580 VanDerWaalsContact O-CE 3.28Å; V402-M580 WeakPolarHBondContact O-CE 3.19Å; L403-M580 HydrophobicContact CB-CE 4.23Å; L560-M580 HydrophobicContact CB-CE 4.45Å; L560-M580 HydrophobicContact CB-CG 4.21Å; L560-M580 HydrophobicContact CD2-CG 3.71Å; L560-M580 HydrophobicContact CD2-SD 4.22Å; L560-M580 HydrophobicContact CG-CE 4.29Å; L560-M580 HydrophobicContact CG-CG 4.13Å; L560-M580 HydrophobicContact CG-SD 4.36Å; L560-M580 WeakPolarHBondContact O-CE 3.45Å; V562-M580 HydrophobicContact CB-CE 4.45Å; V562-M580 HydrophobicContact CG2-CE 3.95Å; V562-M580 HydrophobicContact CG2-SD 4.02Å; I576-M580 HydrophobicContact CG2-SD 3.45Å; I576-M580 WeakPolarHBondContact CG2-SD 3.47Å; I576-M580 WeakPolarHBondContact O-CG 3.15Å; L577-M580 PolarHBondContact O-N 3.49Å; P578-M580 VanDerWaalsContact C-N 3.34Å; M580-D582 VanDerWaalsContact C-N 3.29Å; M580-D582 PolarHBondContact O-N 3.38Å; M580-V583 HydrophobicContact CB-CB 3.8Å; M580-V583 HydrophobicContact CB-CG2 4.21Å; M580-V583 HydrophobicContact CE-CG2 3.81Å; M580-V583 WeakPolarHBondContact O-CB 3.45Å; M580-V583 WeakPolarHBondContact O-CG1 3.49Å; M580-V583 PolarHBondContact O-N 3.11Å; M580-V583 HydrophobicContact SD-CG2 4.25Å
581P80.2Confident90.5Very high53 Ų5324.5 Ų24.534%0.34413%0.134SC..THydrogen-bonded Turntrans-57.5-38.8-174.421.3-33000113.8R352 L553R352-P581 WeakPolarHBondContact CD-O 3.3Å; R352-P581 PolarHBondContact NE-O 2.95Å; L553-P581 WeakPolarHBondContact O-CD 3.23Å
582D83.1Confident90.8Very high33 Ų3324.6 Ų24.618%0.17613%0.134CC..THydrogen-bonded Turntrans-103.934.1-176.9-58.5-72.4000113H353 H395 M580H353-D582 IonicContact CD2-OD1 3.22Å; H353-D582 IonicContact CE1-OD1 3.74Å; H353-D582 IonicContact NE2-OD1 3.62Å; H353-D582 PolarHBondContact NE2-OD1 2.83Å; H395-D582 PolarHBondContact CE1-O 3.07Å; H395-D582 PolarHBondContact NE2-O 3.39Å; M580-D582 VanDerWaalsContact C-N 3.29Å; M580-D582 PolarHBondContact O-N 3.38Å
583V91.8Very high90.9Very high4 Ų424.6 Ų24.62%0.02413%0.134CC..  trans-66.7139-17667.20000113.6W350 S401 L403 L577 M580 V585W350-V583 HydrophobicContact CE3-CG1 4.48Å; W350-V583 HydrophobicContact CZ3-CG1 3.93Å; S401-V583 WeakPolarHBondContact O-CA 3.45Å; L403-V583 HydrophobicContact CB-CG2 3.99Å; L577-V583 HydrophobicContact CD2-CG1 3.99Å; M580-V583 HydrophobicContact CB-CB 3.8Å; M580-V583 HydrophobicContact CB-CG2 4.21Å; M580-V583 HydrophobicContact CE-CG2 3.81Å; M580-V583 WeakPolarHBondContact O-CB 3.45Å; M580-V583 WeakPolarHBondContact O-CG1 3.49Å; M580-V583 PolarHBondContact O-N 3.11Å; M580-V583 HydrophobicContact SD-CG2 4.25Å; V583-V585 HydrophobicContact CG1-CG2 3.97Å; V583-V585 HydrophobicContact CG2-CG2 3.88Å
584L94.6Very high91.1Very high0 Ų023.1 Ų23.10%013%0.126CC..EExtended strand (participates in β ladder)trans-98.7114.9153.4170.167.5000108.3W350 V355 F391 H395 S401 V402 L403 L586W350-L584 CarbonylContact O-C 3.34Å; W350-L584 WeakPolarHBondContact O-CA 3.45Å; V355-L584 HydrophobicContact CG1-CD2 4.49Å; V355-L584 HydrophobicContact CG2-CD1 4.27Å; V355-L584 HydrophobicContact CG2-CD2 4.35Å; F391-L584 HydrophobicContact CB-CD2 4.06Å; F391-L584 WeakPolarHBondContact O-CD2 3.37Å; H395-L584 HydrophobicContact CB-CB 4.46Å; H395-L584 HydrophobicContact CB-CD2 3.65Å; H395-L584 VanDerWaalsContact CD2-CB 3.4Å; H395-L584 WeakPolarHBondContact CD2-CB 3.43Å; H395-L584 VanDerWaalsContact NE2-CB 3.33Å; H395-L584 WeakPolarHBondContact NE2-CB 3.2Å; H395-L584 PolarHBondContact NE2-N 2.77Å; S401-L584 PolarHBondContact O-N 3.41Å; V402-L584 CarbonylContact C-O 3.26Å; V402-L584 WeakPolarHBondContact CA-O 3.39Å; V402-L584 HydrophobicContact CG2-CB 4.21Å; V402-L584 HydrophobicContact CG2-CD2 4.25Å; V402-L584 HydrophobicContact CG2-CG 4.29Å; V402-L584 VanDerWaalsContact CG2-O 3.3Å; V402-L584 WeakPolarHBondContact CG2-O 3.37Å; L403-L584 PolarHBondContact N-O 3.3Å; L584-L586 HydrophobicContact CD1-CD2 3.77Å; L584-L586 HydrophobicContact CD1-CG 4.34Å; L584-L586 HydrophobicContact CD2-CD1 4.1Å; L584-L586 HydrophobicContact CD2-CD2 4.09Å; L584-L586 HydrophobicContact CD2-CG 4.14Å; L584-L586 HydrophobicContact CG-CD1 4.41Å; L584-L586 HydrophobicContact CG-CD2 3.89Å; L584-L586 HydrophobicContact CG-CG 3.93Å
585V94.9Very high91.3Very high2 Ų217.4 Ų17.41%0.01210%0.099CC..EExtended strand (participates in β ladder)trans-93.3132.2172.1-170.40000108.3G349 W350 L403 W567 L577 V583 F587G349-V585 CarbonylContact C-O 3.58Å; G349-V585 VanDerWaalsContact CA-O 3.27Å; G349-V585 WeakPolarHBondContact CA-O 3.48Å; W350-V585 HydrophobicContact CE3-CG2 4.24Å; W350-V585 PolarHBondContact N-O 3.16Å; W350-V585 PolarHBondContact O-N 3.26Å; L403-V585 HydrophobicContact CB-CG1 4.5Å; L403-V585 HydrophobicContact CB-CG2 4.46Å; L403-V585 HydrophobicContact CD2-CG1 4.25Å; L403-V585 HydrophobicContact CD2-CG2 4.44Å; L403-V585 HydrophobicContact CG-CG1 4.28Å; L403-V585 CarbonylContact O-C 3.58Å; L403-V585 WeakPolarHBondContact O-CA 3.41Å; W567-V585 HydrophobicContact CZ3-CG1 4.09Å; L577-V585 HydrophobicContact CD2-CG2 4.04Å; V583-V585 HydrophobicContact CG1-CG2 3.97Å; V583-V585 HydrophobicContact CG2-CG2 3.88Å; V585-F587 HydrophobicContact CG1-CD2 4.22Å; V585-F587 HydrophobicContact CG1-CE2 3.46Å; V585-F587 VanDerWaalsContact CG1-CE2 3.46Å; V585-F587 HydrophobicContact CG1-CZ 3.82Å
586L95.7Very high91.2Very high0 Ų016.5 Ų16.50%09%0.093CC..EExtended strand (participates in β ladder)trans-128.4131.9179.5-63.1177.9000111.1V347 L348 V388 F391 A392 V402 L403 V404 V405 L584V347-L586 HydrophobicContact CG1-CB 4.41Å; V347-L586 HydrophobicContact CG1-CD2 4Å; L348-L586 WeakPolarHBondContact O-CA 3.5Å; V388-L586 HydrophobicContact CB-CD1 4.13Å; V388-L586 HydrophobicContact CG1-CB 4.26Å; V388-L586 WeakPolarHBondContact O-CD1 3.49Å; F391-L586 HydrophobicContact CB-CD1 4.1Å; F391-L586 HydrophobicContact CB-CD2 3.79Å; F391-L586 HydrophobicContact CD2-CD2 4.35Å; F391-L586 HydrophobicContact CG-CD2 4.2Å; A392-L586 HydrophobicContact CB-CD1 3.86Å; V402-L586 HydrophobicContact CG2-CD1 4.47Å; L403-L586 PolarHBondContact O-N 2.96Å; V404-L586 HydrophobicContact CG1-CB 4.36Å; V404-L586 HydrophobicContact CG2-CD1 4.33Å; V405-L586 PolarHBondContact N-O 3.37Å; L584-L586 HydrophobicContact CD1-CD2 3.77Å; L584-L586 HydrophobicContact CD1-CG 4.34Å; L584-L586 HydrophobicContact CD2-CD1 4.1Å; L584-L586 HydrophobicContact CD2-CD2 4.09Å; L584-L586 HydrophobicContact CD2-CG 4.14Å; L584-L586 HydrophobicContact CG-CD1 4.41Å; L584-L586 HydrophobicContact CG-CD2 3.89Å; L584-L586 HydrophobicContact CG-CG 3.93Å
587F95.1Very high90.8Very high1 Ų116.7 Ų16.70%0.00410%0.095CC..EExtended strand (participates in β ladder)trans-118.5118.1171.7-58.6-96000110.2V347 L348 V405 W567 V585 E592 A593 Y596V347-F587 VanDerWaalsContact CA-O 3.32Å; V347-F587 WeakPolarHBondContact CA-O 3.28Å; L348-F587 HydrophobicContact CB-CB 4.32Å; L348-F587 HydrophobicContact CD2-CD2 4.08Å; L348-F587 PolarHBondContact N-O 3.11Å; L348-F587 PolarHBondContact O-N 3.12Å; V405-F587 HydrophobicContact CB-CD1 3.98Å; V405-F587 HydrophobicContact CB-CE1 4.16Å; V405-F587 HydrophobicContact CG1-CD1 4.17Å; V405-F587 HydrophobicContact CG1-CE1 4.32Å; V405-F587 WeakPolarHBondContact O-CA 3.49Å; W567-F587 HydrophobicContact CB-CE1 4.25Å; W567-F587 AromaticContact CD2-CE1 3.97Å; W567-F587 HydrophobicContact CD2-CE1 3.97Å; W567-F587 HydrophobicContact CD2-CZ 4.01Å; W567-F587 AromaticContact CE3-CE1 3.47Å; W567-F587 HydrophobicContact CE3-CE1 3.47Å; W567-F587 VanDerWaalsContact CE3-CE1 3.47Å; W567-F587 AromaticContact CE3-CZ 3.42Å; W567-F587 HydrophobicContact CE3-CZ 3.42Å; W567-F587 VanDerWaalsContact CE3-CZ 3.42Å; W567-F587 HydrophobicContact CG-CE1 4.28Å; W567-F587 HydrophobicContact CH2-CZ 4.48Å; W567-F587 HydrophobicContact CZ3-CE1 4.17Å; W567-F587 AromaticContact CZ3-CZ 3.68Å; W567-F587 HydrophobicContact CZ3-CZ 3.68Å; V585-F587 HydrophobicContact CG1-CD2 4.22Å; V585-F587 HydrophobicContact CG1-CE2 3.46Å; V585-F587 VanDerWaalsContact CG1-CE2 3.46Å; V585-F587 HydrophobicContact CG1-CZ 3.82Å; F587-E592 HydrophobicContact CD1-CB 4.32Å; F587-A593 HydrophobicContact CB-CB 3.69Å; F587-A593 HydrophobicContact CD1-CB 4.11Å; F587-A593 HydrophobicContact CD2-CB 4.29Å; F587-A593 HydrophobicContact CG-CB 3.8Å; F587-Y596 HydrophobicContact CD2-CD1 4.5Å; F587-Y596 HydrophobicContact CE1-CG 4.28Å; F587-Y596 AromaticContact CE2-CD1 3.58Å; F587-Y596 HydrophobicContact CE2-CD1 3.58Å; F587-Y596 HydrophobicContact CE2-CD2 4.29Å; F587-Y596 HydrophobicContact CE2-CE1 4.05Å; F587-Y596 AromaticContact CE2-CG 3.71Å; F587-Y596 HydrophobicContact CE2-CG 3.71Å; F587-Y596 AromaticContact CZ-CD1 3.76Å; F587-Y596 HydrophobicContact CZ-CD1 3.76Å; F587-Y596 AromaticContact CZ-CD2 3.86Å; F587-Y596 HydrophobicContact CZ-CD2 3.86Å; F587-Y596 AromaticContact CZ-CG 3.36Å; F587-Y596 HydrophobicContact CZ-CG 3.36Å
588D92.5Very high90.5Very high49 Ų4915.7 Ų15.726%0.2629%0.091SC..SBendtrans-85.1-18.8168-163.383.7000111.6V347 V388 V405 I410V347-D588 HydrophobicContact CG2-CB 4.45Å; V388-D588 HydrophobicContact CG1-CB 3.8Å; V405-D588 PolarHBondContact O-N 3.16Å; I410-D588 HydrophobicContact CD1-CB 3.46Å; I410-D588 VanDerWaalsContact CD1-CB 3.46Å; I410-D588 VanDerWaalsContact CG2-OD2 3.23Å; I410-D588 WeakPolarHBondContact CG2-OD2 3.24Å
589D93.3Very high90.4Very high7 Ų711.8 Ų11.84%0.0377%0.065CC..  trans-107.6113.3180-163.7-53.5000110.9N407 L591 E592 A593 K710N407-D589 PolarHBondContact ND2-OD2 2.93Å; N407-D589 PolarHBondContact OD1-OD2 3.27Å; D589-L591 VanDerWaalsContact C-N 3.28Å; D589-L591 PolarHBondContact O-N 3.24Å; D589-L591 WeakPolarHBondContact OD1-CB 3.26Å; D589-L591 PolarHBondContact OD1-N 3.43Å; D589-E592 HydrophobicContact CB-CB 4.04Å; D589-E592 HydrophobicContact CB-CG 3.84Å; D589-E592 PolarHBondContact O-N 2.85Å; D589-E592 PolarHBondContact OD1-N 2.92Å; D589-A593 WeakPolarHBondContact O-CB 3.46Å; D589-A593 PolarHBondContact O-N 3.05Å; D589-K710 VanDerWaalsContact OD2-CE 3.23Å; D589-K710 WeakPolarHBondContact OD2-CE 3.28Å; D589-K710 IonicContact OD2-NZ 2.72Å; D589-K710 PolarHBondContact OD2-NZ 3Å
590A93.3Very high90.4Very high4 Ų413.2 Ų13.23%0.0337%0.072CC..Hα-helixtrans-70.5-21.6-174.600000114.2S594 F713 Y717A590-S594 WeakPolarHBondContact O-CB 3.17Å; A590-S594 PolarHBondContact O-N 3Å; A590-S594 VanDerWaalsContact O-N 3.15Å; A590-S594 PolarHBondContact O-OG 3.32Å; A590-F713 HydrophobicContact CB-CB 4.06Å; A590-F713 WeakPolarHBondContact O-CB 3.43Å; A590-Y717 HydrophobicContact CB-CE1 3.69Å; A590-Y717 WeakPolarHBondContact CB-OH 3.35Å
591L94.3Very high90.4Very high4 Ų413.3 Ų13.32%0.0217%0.072CC..Hα-helixtrans-75.3-43.6173.7176.458.7000110.2D589 A593 S594 V595 W706 K710 F713 F749D589-L591 VanDerWaalsContact C-N 3.28Å; D589-L591 PolarHBondContact O-N 3.24Å; D589-L591 WeakPolarHBondContact OD1-CB 3.26Å; D589-L591 PolarHBondContact OD1-N 3.43Å; L591-A593 VanDerWaalsContact C-N 3.3Å; L591-A593 PolarHBondContact O-N 3.19Å; L591-S594 WeakPolarHBondContact O-CA 3.34Å; L591-S594 WeakPolarHBondContact O-CB 3.34Å; L591-S594 PolarHBondContact O-N 2.87Å; L591-V595 PolarHBondContact O-N 3.27Å; L591-V595 VanDerWaalsContact O-N 3.1Å; L591-W706 HydrophobicContact CD2-CH2 4.41Å; L591-W706 HydrophobicContact CD2-CZ2 4.16Å; L591-K710 HydrophobicContact CB-CB 4.08Å; L591-K710 HydrophobicContact CB-CD 4.13Å; L591-K710 HydrophobicContact CB-CG 3.93Å; L591-K710 HydrophobicContact CD2-CD 3.96Å; L591-K710 HydrophobicContact CD2-CG 3.79Å; L591-F713 HydrophobicContact CB-CD2 4.22Å; L591-F713 HydrophobicContact CB-CG 4.37Å; L591-F713 HydrophobicContact CD1-CD1 3.89Å; L591-F713 HydrophobicContact CD1-CD2 3.99Å; L591-F713 HydrophobicContact CD1-CE1 3.69Å; L591-F713 HydrophobicContact CD1-CE2 3.8Å; L591-F713 HydrophobicContact CD1-CG 4.05Å; L591-F713 HydrophobicContact CD1-CZ 3.66Å; L591-F749 HydrophobicContact CD1-CE1 4.1Å; L591-F749 HydrophobicContact CD1-CE2 4.09Å; L591-F749 HydrophobicContact CD1-CZ 3.59Å; L591-F749 HydrophobicContact CD2-CD1 4.47Å; L591-F749 HydrophobicContact CD2-CD2 3.69Å; L591-F749 HydrophobicContact CD2-CE1 4.27Å; L591-F749 HydrophobicContact CD2-CE2 3.43Å; L591-F749 VanDerWaalsContact CD2-CE2 3.43Å; L591-F749 HydrophobicContact CD2-CG 4.2Å; L591-F749 HydrophobicContact CD2-CZ 3.75Å; L591-F749 HydrophobicContact CG-CD2 4.21Å; L591-F749 HydrophobicContact CG-CE1 4.31Å; L591-F749 HydrophobicContact CG-CE2 3.43Å; L591-F749 VanDerWaalsContact CG-CE2 3.43Å; L591-F749 HydrophobicContact CG-CZ 3.48Å; L591-F749 VanDerWaalsContact CG-CZ 3.48Å
592E93.6Very high90.9Very high13 Ų1311.7 Ų11.76%0.0616%0.061CC..Hα-helixtrans-62.4-37.4172.6-61.5-64.7139.900111.9V405 I566 W567 F587 D589 S594 V595 Y596 H753V405-E592 HydrophobicContact CG1-CB 4.35Å; I566-E592 VanDerWaalsContact CA-OE2 3.25Å; I566-E592 WeakPolarHBondContact CA-OE2 3.49Å; I566-E592 WeakPolarHBondContact CG2-OE2 3.04Å; W567-E592 PolarHBondContact N-OE2 2.76Å; F587-E592 HydrophobicContact CD1-CB 4.32Å; D589-E592 HydrophobicContact CB-CB 4.04Å; D589-E592 HydrophobicContact CB-CG 3.84Å; D589-E592 PolarHBondContact O-N 2.85Å; D589-E592 PolarHBondContact OD1-N 2.92Å; E592-S594 PolarHBondContact O-N 2.77Å; E592-V595 PolarHBondContact O-N 2.93Å; E592-Y596 PolarHBondContact O-N 2.78Å; E592-Y596 VanDerWaalsContact O-N 3.11Å; E592-H753 IonicContact OE1-CE1 2.75Å; E592-H753 IonicContact OE1-NE2 3.01Å; E592-H753 PolarHBondContact OE1-NE2 3.44Å; E592-H753 IonicContact OE2-CE1 2.62Å; E592-H753 PolarHBondContact OE2-CE1 3Å; E592-H753 IonicContact OE2-NE2 3.69Å; E592-H753 PolarHBondContact OE2-NE2 2.75Å; E592-H753 VanDerWaalsContact OE2-NE2 3.15Å
593A91.9Very high91.4Very high0 Ų011.3 Ų11.30%06%0.059CC..Hα-helixtrans-62.7-29.317200000113.1L348 F587 D589 L591 G597 Y717L348-A593 HydrophobicContact CB-CB 4.37Å; L348-A593 HydrophobicContact CD2-CB 3.91Å; F587-A593 HydrophobicContact CB-CB 3.69Å; F587-A593 HydrophobicContact CD1-CB 4.11Å; F587-A593 HydrophobicContact CD2-CB 4.29Å; F587-A593 HydrophobicContact CG-CB 3.8Å; D589-A593 WeakPolarHBondContact O-CB 3.46Å; D589-A593 PolarHBondContact O-N 3.05Å; L591-A593 VanDerWaalsContact C-N 3.3Å; L591-A593 PolarHBondContact O-N 3.19Å; A593-G597 PolarHBondContact O-N 2.86Å; A593-Y717 HydrophobicContact CB-CE1 3.92Å
594S91.1Very high91.4Very high3 Ų313.5 Ų13.52%0.0217%0.067CC..Hα-helixtrans-79.5-29.3177.9-62.80000112.6A590 L591 E592 G597 G598 V599A590-S594 WeakPolarHBondContact O-CB 3.17Å; A590-S594 PolarHBondContact O-N 3Å; A590-S594 VanDerWaalsContact O-N 3.15Å; A590-S594 PolarHBondContact O-OG 3.32Å; L591-S594 WeakPolarHBondContact O-CA 3.34Å; L591-S594 WeakPolarHBondContact O-CB 3.34Å; L591-S594 PolarHBondContact O-N 2.87Å; E592-S594 PolarHBondContact O-N 2.77Å; S594-G597 CarbonylContact O-C 3.52Å; S594-G597 PolarHBondContact O-N 3.05Å; S594-G598 PolarHBondContact O-N 3.46Å; S594-G598 VanDerWaalsContact O-N 3.1Å; S594-V599 PolarHBondContact O-N 3.31Å
595V89.8Confident91.3Very high1 Ų114.9 Ų14.91%0.0068%0.076CC..Hα-helixtrans-64.2-50167177.60000110.3L330 W567 L591 E592 G597 G598 F749L330-V595 HydrophobicContact CD1-CG2 4.49Å; L330-V595 HydrophobicContact CD2-CB 4.23Å; L330-V595 HydrophobicContact CD2-CG1 3.71Å; L330-V595 HydrophobicContact CD2-CG2 4.2Å; W567-V595 HydrophobicContact CB-CG1 4.48Å; L591-V595 PolarHBondContact O-N 3.27Å; L591-V595 VanDerWaalsContact O-N 3.1Å; E592-V595 PolarHBondContact O-N 2.93Å; V595-G597 PolarHBondContact O-N 3.42Å; V595-G598 PolarHBondContact O-N 2.97Å; V595-F749 HydrophobicContact CG2-CE1 4.44Å; V595-F749 HydrophobicContact CG2-CE2 4.22Å; V595-F749 HydrophobicContact CG2-CZ 3.53Å
596Y88.1Confident91.1Very high39 Ų3914.9 Ų14.915%0.1538%0.075CC..Hα-helixtrans-54.3-36.7172.4164.1-106.3000112.4L348 W567 F587 E592L348-Y596 HydrophobicContact CD2-CD1 4.44Å; W567-Y596 HydrophobicContact CD2-CD2 4.33Å; W567-Y596 AromaticContact CE2-CD2 3.77Å; W567-Y596 AromaticContact CH2-CD2 3.83Å; W567-Y596 HydrophobicContact CH2-CD2 3.83Å; W567-Y596 HydrophobicContact CH2-CE2 4.24Å; W567-Y596 AromaticContact CZ2-CD2 3.53Å; W567-Y596 HydrophobicContact CZ2-CD2 3.53Å; W567-Y596 HydrophobicContact CZ2-CE2 4.18Å; W567-Y596 HydrophobicContact CZ3-CD2 4.35Å; F587-Y596 HydrophobicContact CD2-CD1 4.5Å; F587-Y596 HydrophobicContact CE1-CG 4.28Å; F587-Y596 AromaticContact CE2-CD1 3.58Å; F587-Y596 HydrophobicContact CE2-CD1 3.58Å; F587-Y596 HydrophobicContact CE2-CD2 4.29Å; F587-Y596 HydrophobicContact CE2-CE1 4.05Å; F587-Y596 AromaticContact CE2-CG 3.71Å; F587-Y596 HydrophobicContact CE2-CG 3.71Å; F587-Y596 AromaticContact CZ-CD1 3.76Å; F587-Y596 HydrophobicContact CZ-CD1 3.76Å; F587-Y596 AromaticContact CZ-CD2 3.86Å; F587-Y596 HydrophobicContact CZ-CD2 3.86Å; F587-Y596 AromaticContact CZ-CG 3.36Å; F587-Y596 HydrophobicContact CZ-CG 3.36Å; E592-Y596 PolarHBondContact O-N 2.78Å; E592-Y596 VanDerWaalsContact O-N 3.11Å
597G83.1Confident90.6Very high4 Ų417 Ų174%0.0419%0.093CC..THydrogen-bonded Turntrans-75-14.1177.100000117A593 S594 V595 V599 V728A593-G597 PolarHBondContact O-N 2.86Å; S594-G597 CarbonylContact O-C 3.52Å; S594-G597 PolarHBondContact O-N 3.05Å; V595-G597 PolarHBondContact O-N 3.42Å; G597-V599 VanDerWaalsContact C-N 3.33Å; G597-V728 VanDerWaalsContact O-CB 3.28Å; G597-V728 WeakPolarHBondContact O-CB 3.38Å; G597-V728 WeakPolarHBondContact O-CG2 3.48Å
598G84.4Confident90.2Very high3 Ų322 Ų223%0.03112%0.12CC..THydrogen-bonded Turntrans63.435.1-170.800000114.5L330 S594 V595L330-G598 WeakPolarHBondContact O-CA 3.28Å; S594-G598 PolarHBondContact O-N 3.46Å; S594-G598 VanDerWaalsContact O-N 3.1Å; V595-G598 PolarHBondContact O-N 2.97Å
599V87.9Confident89.9Confident4 Ų423.1 Ų23.12%0.02412%0.123CC..  trans-70.7126.2168.7175.30000108.6L330 S594 G597 F716 V728 G729L330-V599 WeakPolarHBondContact CB-O 3.45Å; L330-V599 WeakPolarHBondContact CD1-O 3.4Å; S594-V599 PolarHBondContact O-N 3.31Å; G597-V599 VanDerWaalsContact C-N 3.33Å; V599-F716 HydrophobicContact CG1-CD2 3.98Å; V599-F716 HydrophobicContact CG1-CE1 4.19Å; V599-F716 HydrophobicContact CG1-CE2 3.59Å; V599-F716 HydrophobicContact CG1-CG 4.43Å; V599-F716 HydrophobicContact CG1-CZ 3.7Å; V599-F716 HydrophobicContact CG2-CB 4.3Å; V599-F716 HydrophobicContact CG2-CD1 4.33Å; V599-F716 HydrophobicContact CG2-CD2 4.19Å; V599-F716 HydrophobicContact CG2-CG 4.04Å; V599-V728 HydrophobicContact CG2-CB 4.33Å; V599-V728 HydrophobicContact CG2-CG1 4.22Å; V599-G729 CarbonylContact C-O 3.58Å; V599-G729 WeakPolarHBondContact CA-O 3.46Å
600Q88.7Confident89.6Confident52 Ų5227.2 Ų27.224%0.24315%0.151CC..EExtended strand (participates in β ladder)trans-72.3144.2178.9-67.2178.8-17.800111.4P727 G729 Q730 S731Q600-P727 HydrophobicContact CG-CB 4.36Å; Q600-G729 PolarHBondContact N-O 3.11Å; Q600-Q730 HydrophobicContact CB-CG 4.41Å; Q600-S731 PolarHBondContact O-N 3.25Å
601L91.4Very high89.4Confident4 Ų431 Ų312%0.02117%0.168CC..EExtended strand (participates in β ladder)trans-119.9120.1177-174.258.1000110.8A328 L330 V603 F713 V733 F749 Y750A328-L601 PolarHBondContact N-O 3.3Å; L330-L601 HydrophobicContact CD1-CB 4.45Å; L601-V603 HydrophobicContact CG-CG2 4.43Å; L601-F713 HydrophobicContact CD1-CZ 4.25Å; L601-V733 HydrophobicContact CD1-CG2 3.99Å; L601-F749 HydrophobicContact CD2-CD1 4.28Å; L601-F749 HydrophobicContact CD2-CE1 3.97Å; L601-Y750 HydrophobicContact CD2-CD2 4.46Å; L601-Y750 HydrophobicContact CD2-CE2 3.59Å; L601-Y750 HydrophobicContact CG-CE2 4.14Å; L601-Y750 PolarHBondContact O-OH 3.04Å
602D90.9Very high89.1Confident19 Ų1931 Ų3110%0.10217%0.167CC..EExtended strand (participates in β ladder)trans-115.2135.7175.2178.812.7000108.4R604 S731 V732 V733D602-R604 IonicContact OD1-NE 3.47Å; D602-R604 IonicContact OD2-CZ 2.69Å; D602-R604 VanDerWaalsContact OD2-CZ 3.25Å; D602-R604 IonicContact OD2-NE 2.71Å; D602-R604 PolarHBondContact OD2-NE 2.96Å; D602-R604 IonicContact OD2-NH2 3.58Å; D602-R604 PolarHBondContact OD2-NH2 2.94Å; D602-S731 PolarHBondContact N-O 2.83Å; D602-V732 HydrophobicContact CB-CG1 4.37Å; D602-V732 HydrophobicContact CB-CG2 4.18Å; D602-V732 CarbonylContact O-C 3.28Å; D602-V732 WeakPolarHBondContact O-CA 3.45Å; D602-V733 PolarHBondContact O-N 3.08Å
603V93.2Very high88.8Confident24 Ų2431.3 Ų31.315%0.14517%0.17CC..EExtended strand (participates in β ladder)trans-129.7106.1179.6-1770000108.1L601 V733 A735 L746 Y750 L761L601-V603 HydrophobicContact CG-CG2 4.43Å; V603-V733 HydrophobicContact CG1-CB 4.44Å; V603-V733 HydrophobicContact CG2-CB 4.29Å; V603-V733 HydrophobicContact CG2-CG2 4.48Å; V603-A735 HydrophobicContact CG1-CB 4.31Å; V603-L746 HydrophobicContact CG1-CD1 4.1Å; V603-L746 HydrophobicContact CG2-CD1 4.16Å; V603-Y750 HydrophobicContact CG2-CE2 4.3Å; V603-L761 HydrophobicContact CB-CD1 4.29Å; V603-L761 HydrophobicContact CG1-CD1 3.98Å; V603-L761 HydrophobicContact CG1-CD2 4.09Å
604R92.7Very high88.6Confident51 Ų5136.3 Ų36.319%0.19219%0.193CC..EExtended strand (participates in β ladder)trans-97.2120.7178.5-56.5-172.8-173.4-161.6-4.6108.2D602 V606 V732 V733 F734 A735D602-R604 IonicContact OD1-NE 3.47Å; D602-R604 IonicContact OD2-CZ 2.69Å; D602-R604 VanDerWaalsContact OD2-CZ 3.25Å; D602-R604 IonicContact OD2-NE 2.71Å; D602-R604 PolarHBondContact OD2-NE 2.96Å; D602-R604 IonicContact OD2-NH2 3.58Å; D602-R604 PolarHBondContact OD2-NH2 2.94Å; R604-V606 HydrophobicContact CB-CG2 4.08Å; R604-V732 HydrophobicContact CG-CG1 4.24Å; R604-V733 PolarHBondContact N-O 3.11Å; R604-F734 HydrophobicContact CB-CD1 4.22Å; R604-F734 WeakPolarHBondContact O-CA 3.36Å; R604-A735 PolarHBondContact O-N 2.91Å
605V92.1Very high88.4Confident29 Ų2939 Ų3918%0.17621%0.205CC..EExtended strand (participates in β ladder)trans-84.8126.3171.2-179.50000107.7A735 P737 L761 I764V605-A735 CarbonylContact C-O 3.56Å; V605-A735 VanDerWaalsContact CA-O 3.25Å; V605-A735 WeakPolarHBondContact CA-O 3.38Å; V605-P737 HydrophobicContact CG1-CG 3.75Å; V605-L761 HydrophobicContact CG2-CD2 3.4Å; V605-L761 VanDerWaalsContact CG2-CD2 3.4Å; V605-I764 HydrophobicContact CB-CD1 4.23Å; V605-I764 HydrophobicContact CG1-CD1 3.68Å; V605-I764 HydrophobicContact CG2-CD1 3.66Å
606V91.1Very high88.4Confident1 Ų139 Ų391%0.00621%0.205CC..  trans-142.7122.5-171-166.10000107.8R604 E611 K612 A735 K736R604-V606 HydrophobicContact CB-CG2 4.08Å; V606-E611 WeakPolarHBondContact CA-OE2 3.44Å; V606-E611 HydrophobicContact CG1-CB 3.65Å; V606-E611 HydrophobicContact CG1-CG 3.65Å; V606-E611 WeakPolarHBondContact CG1-OE2 3.41Å; V606-K612 HydrophobicContact CB-CG 3.95Å; V606-K612 HydrophobicContact CG1-CB 4.18Å; V606-K612 HydrophobicContact CG1-CG 3.52Å; V606-K612 VanDerWaalsContact CG1-N 3.33Å; V606-K612 HydrophobicContact CG2-CG 4.49Å; V606-A735 PolarHBondContact N-O 3Å; V606-K736 WeakPolarHBondContact O-CA 3.38Å
607A84.8Confident88.1Confident46 Ų4640.7 Ų40.738%0.3821%0.213SC..  trans-79.3-54-17600000110.9E611A607-E611 PolarHBondContact N-OE2 2.95Å
608D86.2Confident88.2Confident106 Ų10642.3 Ų42.357%0.56723%0.226SC*.SBendtrans-108.8151.3-165.5-64-55.9000112.9E611 K612D608-E611 WeakPolarHBondContact O-CB 3.34Å; D608-E611 PolarHBondContact O-N 3.37Å; D608-K612 PolarHBondContact O-N 2.92Å
609E86.3Confident88.2Confident71 Ų7142.3 Ų42.333%0.33223%0.225SC..Hα-helixtrans-64.5-36.5-179.8-64-63.9133.600113.6E611 K612 I613 Y700 K736E609-E611 VanDerWaalsContact C-N 3.32Å; E609-E611 PolarHBondContact O-N 3.42Å; E609-K612 WeakPolarHBondContact O-CB 3.42Å; E609-K612 PolarHBondContact O-N 3.27Å; E609-K612 WeakPolarHBondContact OE1-CE 3.3Å; E609-K612 IonicContact OE1-NZ 2.94Å; E609-K612 PolarHBondContact OE1-NZ 3.41Å; E609-K612 IonicContact OE2-NZ 3.15Å; E609-I613 WeakPolarHBondContact O-CG1 3.42Å; E609-I613 PolarHBondContact O-N 3.3Å; E609-Y700 VanDerWaalsContact OE2-CE1 3.26Å; E609-Y700 WeakPolarHBondContact OE2-CE1 3.21Å; E609-Y700 VanDerWaalsContact OE2-CZ 3.31Å; E609-Y700 PolarHBondContact OE2-OH 2.83Å; E609-K736 WeakPolarHBondContact OE1-CE 3.45Å; E609-K736 IonicContact OE1-NZ 3.05Å; E609-K736 PolarHBondContact OE1-NZ 2.98Å
610P86.9Confident87.8Confident94 Ų9443.8 Ų43.861%0.6123%0.233SC*.Hα-helixtrans-58.8-40.1170.1-25.836.4000113.2K612 I613 E614P610-K612 PolarHBondContact O-N 3.36Å; P610-I613 PolarHBondContact O-N 3.26Å; P610-I613 VanDerWaalsContact O-N 3.13Å; P610-E614 PolarHBondContact O-N 2.67Å
611E87.9Confident87.2Confident84 Ų8443.9 Ų43.939%0.39324%0.242SC..Hα-helixtrans-65.1-38.8177.1-168-171.2-150.100111.2V606 A607 D608 E609 I613 E614 H615V606-E611 WeakPolarHBondContact CA-OE2 3.44Å; V606-E611 HydrophobicContact CG1-CB 3.65Å; V606-E611 HydrophobicContact CG1-CG 3.65Å; V606-E611 WeakPolarHBondContact CG1-OE2 3.41Å; A607-E611 PolarHBondContact N-OE2 2.95Å; D608-E611 WeakPolarHBondContact O-CB 3.34Å; D608-E611 PolarHBondContact O-N 3.37Å; E609-E611 VanDerWaalsContact C-N 3.32Å; E609-E611 PolarHBondContact O-N 3.42Å; E611-I613 VanDerWaalsContact C-N 3.31Å; E611-I613 PolarHBondContact O-N 3.01Å; E611-E614 PolarHBondContact O-N 2.67Å; E611-H615 PolarHBondContact O-N 2.83Å
612K89.2Confident86.5Confident2 Ų248.5 Ų48.51%0.00926%0.264CS..Hα-helixtrans-59.7-40.7170.9-74.9-173.1-180175.80111.9V606 D608 E609 P610 H615 L616 Y700 S701 F734V606-K612 HydrophobicContact CB-CG 3.95Å; V606-K612 HydrophobicContact CG1-CB 4.18Å; V606-K612 HydrophobicContact CG1-CG 3.52Å; V606-K612 VanDerWaalsContact CG1-N 3.33Å; V606-K612 HydrophobicContact CG2-CG 4.49Å; D608-K612 PolarHBondContact O-N 2.92Å; E609-K612 WeakPolarHBondContact O-CB 3.42Å; E609-K612 PolarHBondContact O-N 3.27Å; E609-K612 WeakPolarHBondContact OE1-CE 3.3Å; E609-K612 IonicContact OE1-NZ 2.94Å; E609-K612 PolarHBondContact OE1-NZ 3.41Å; E609-K612 IonicContact OE2-NZ 3.15Å; P610-K612 PolarHBondContact O-N 3.36Å; K612-H615 PolarHBondContact O-N 3.09Å; K612-L616 WeakPolarHBondContact O-CB 3.43Å; K612-L616 PolarHBondContact O-N 2.75Å; K612-Y700 HydrophobicContact CB-CE2 4.12Å; K612-Y700 HydrophobicContact CD-CD1 4.48Å; K612-Y700 HydrophobicContact CD-CE1 3.85Å; K612-Y700 HydrophobicContact CD-CE2 4.05Å; K612-Y700 WeakPolarHBondContact CE-O 3.07Å; K612-Y700 PolarHBondContact NZ-O 3.12Å; K612-S701 PolarHBondContact NZ-OG 2.67Å; K612-S701 VanDerWaalsContact NZ-OG 3.15Å; K612-F734 HydrophobicContact CB-CD2 4.11Å; K612-F734 HydrophobicContact CB-CE2 4.24Å; K612-F734 HydrophobicContact CD-CB 4.5Å; K612-F734 HydrophobicContact CD-CD2 4.07Å; K612-F734 HydrophobicContact CG-CD2 3.94Å
613I87.9Confident85.4Confident21 Ų2150.5 Ų50.511%0.10827%0.27CS..Hα-helixtrans-68-37.9178.3-63.8-62.8000111.4E609 P610 E611 L616 K617 L644 I651E609-I613 WeakPolarHBondContact O-CG1 3.42Å; E609-I613 PolarHBondContact O-N 3.3Å; P610-I613 PolarHBondContact O-N 3.26Å; P610-I613 VanDerWaalsContact O-N 3.13Å; E611-I613 VanDerWaalsContact C-N 3.31Å; E611-I613 PolarHBondContact O-N 3.01Å; I613-L616 HydrophobicContact CD1-CD2 4.45Å; I613-L616 PolarHBondContact O-N 3.2Å; I613-K617 HydrophobicContact CG2-CD 4.42Å; I613-K617 WeakPolarHBondContact O-CG 3.43Å; I613-K617 PolarHBondContact O-N 2.85Å; I613-L644 HydrophobicContact CD1-CD1 3.5Å; I613-L644 VanDerWaalsContact CD1-CD1 3.5Å; I613-I651 HydrophobicContact CG2-CD1 4.17Å
614E87.1Confident83.9Confident104 Ų10457.7 Ų57.749%0.48629%0.294SS..Hα-helixtrans-68.4-41.3173.4-61.4-42.5123.400112.7P610 E611 L616 K617 A618P610-E614 PolarHBondContact O-N 2.67Å; E611-E614 PolarHBondContact O-N 2.67Å; E614-L616 VanDerWaalsContact C-N 3.28Å; E614-L616 PolarHBondContact O-N 3.42Å; E614-K617 WeakPolarHBondContact O-CB 3.19Å; E614-K617 PolarHBondContact O-N 3.39Å; E614-K617 IonicContact OE1-NZ 2.72Å; E614-K617 PolarHBondContact OE1-NZ 3.17Å; E614-K617 WeakPolarHBondContact OE2-CD 3.27Å; E614-K617 IonicContact OE2-NZ 2.92Å; E614-K617 PolarHBondContact OE2-NZ 3.04Å; E614-A618 PolarHBondContact O-N 3.32Å
615H87.6Confident82Confident61 Ų6161.8 Ų61.828%0.28232%0.32SS..Hα-helixtrans-63.4-34.3172.4-79.4-41.4000113E611 K612 A618 L619 F734E611-H615 PolarHBondContact O-N 2.83Å; K612-H615 PolarHBondContact O-N 3.09Å; H615-A618 PolarHBondContact O-N 3.06Å; H615-L619 WeakPolarHBondContact O-CG 3.47Å; H615-L619 PolarHBondContact O-N 2.98Å; H615-F734 HydrophobicContact CB-CE1 4.41Å; H615-F734 HydrophobicContact CB-CZ 4.18Å
616L88.1Confident80.2Confident1 Ų166.8 Ų66.81%0.00534%0.34CS..Hα-helixtrans-70-41.2174.217953.9000112.2K612 I613 E614 A618 L619 I620 M633 L644 L648 I698 Y700 F734K612-L616 WeakPolarHBondContact O-CB 3.43Å; K612-L616 PolarHBondContact O-N 2.75Å; I613-L616 HydrophobicContact CD1-CD2 4.45Å; I613-L616 PolarHBondContact O-N 3.2Å; E614-L616 VanDerWaalsContact C-N 3.28Å; E614-L616 PolarHBondContact O-N 3.42Å; L616-A618 VanDerWaalsContact C-N 3.34Å; L616-A618 PolarHBondContact O-N 3.06Å; L616-L619 PolarHBondContact O-N 3.41Å; L616-I620 HydrophobicContact CD1-CD1 3.74Å; L616-I620 HydrophobicContact CD1-CG1 4.15Å; L616-I620 HydrophobicContact CG-CD1 3.92Å; L616-I620 WeakPolarHBondContact O-CB 3.39Å; L616-I620 VanDerWaalsContact O-CG1 3.27Å; L616-I620 WeakPolarHBondContact O-CG1 3.45Å; L616-I620 PolarHBondContact O-N 2.98Å; L616-M633 HydrophobicContact CD1-CE 3.35Å; L616-M633 HydrophobicContact CD2-CE 3.62Å; L616-M633 HydrophobicContact CG-CE 4.13Å; L616-L644 HydrophobicContact CD2-CD1 4.32Å; L616-L648 HydrophobicContact CD2-CD2 3.84Å; L616-L648 HydrophobicContact CG-CD2 4.4Å; L616-I698 HydrophobicContact CD1-CD1 3.88Å; L616-Y700 HydrophobicContact CD2-CE2 4.4Å; L616-F734 HydrophobicContact CB-CE2 4.27Å; L616-F734 HydrophobicContact CB-CZ 4.3Å
617K83.5Confident78.3Confident74 Ų7470.7 Ų70.732%0.32237%0.372SS..Hα-helixtrans-57.2-46.5170.1-78.6162.4169.5178.30111.3I613 E614 I620 A621 I651I613-K617 HydrophobicContact CG2-CD 4.42Å; I613-K617 WeakPolarHBondContact O-CG 3.43Å; I613-K617 PolarHBondContact O-N 2.85Å; E614-K617 WeakPolarHBondContact O-CB 3.19Å; E614-K617 PolarHBondContact O-N 3.39Å; E614-K617 IonicContact OE1-NZ 2.72Å; E614-K617 PolarHBondContact OE1-NZ 3.17Å; E614-K617 WeakPolarHBondContact OE2-CD 3.27Å; E614-K617 IonicContact OE2-NZ 2.92Å; E614-K617 PolarHBondContact OE2-NZ 3.04Å; K617-I620 PolarHBondContact O-N 3.49Å; K617-A621 VanDerWaalsContact O-CB 3.28Å; K617-A621 WeakPolarHBondContact O-CB 3.41Å; K617-A621 PolarHBondContact O-N 2.99Å; K617-I651 HydrophobicContact CD-CD1 4.18Å; K617-I651 HydrophobicContact CG-CD1 3.58Å
618A85.3Confident77.1Confident38 Ų3873.7 Ų73.731%0.31438%0.382SS..Hα-helixtrans-59.2-50.117800000111.6E614 H615 L616 I620 A621 E622E614-A618 PolarHBondContact O-N 3.32Å; H615-A618 PolarHBondContact O-N 3.06Å; L616-A618 VanDerWaalsContact C-N 3.34Å; L616-A618 PolarHBondContact O-N 3.06Å; A618-I620 VanDerWaalsContact C-N 3.34Å; A618-I620 PolarHBondContact O-N 3.4Å; A618-A621 PolarHBondContact O-N 2.78Å; A618-E622 WeakPolarHBondContact O-CB 3.22Å; A618-E622 VanDerWaalsContact O-CG 3.27Å; A618-E622 WeakPolarHBondContact O-CG 3.46Å; A618-E622 PolarHBondContact O-N 2.7Å
619L84.4Confident76.5Confident2 Ų272.1 Ų72.11%0.0137%0.371CS..Hα-helixtrans-57-43.4175.9-78.1163.8000113H615 L616 R623 V732 F734H615-L619 WeakPolarHBondContact O-CG 3.47Å; H615-L619 PolarHBondContact O-N 2.98Å; L616-L619 PolarHBondContact O-N 3.41Å; L619-R623 WeakPolarHBondContact O-CB 3.48Å; L619-R623 VanDerWaalsContact O-CG 3.31Å; L619-R623 WeakPolarHBondContact O-CG 3.42Å; L619-R623 PolarHBondContact O-N 3.34Å; L619-V732 HydrophobicContact CD1-CG1 4.06Å; L619-V732 HydrophobicContact CD2-CG2 4.16Å; L619-F734 HydrophobicContact CD1-CE1 3.89Å; L619-F734 HydrophobicContact CD1-CZ 3.89Å
620I78.4Confident76.2Confident35 Ų3569.8 Ų69.818%0.17936%0.362CS..Hα-helixtrans-69.4-38.3178.7-67.7166.3000110.8L616 K617 A618 R623 R624 L648 V653L616-I620 HydrophobicContact CD1-CD1 3.74Å; L616-I620 HydrophobicContact CD1-CG1 4.15Å; L616-I620 HydrophobicContact CG-CD1 3.92Å; L616-I620 WeakPolarHBondContact O-CB 3.39Å; L616-I620 VanDerWaalsContact O-CG1 3.27Å; L616-I620 WeakPolarHBondContact O-CG1 3.45Å; L616-I620 PolarHBondContact O-N 2.98Å; K617-I620 PolarHBondContact O-N 3.49Å; A618-I620 VanDerWaalsContact C-N 3.34Å; A618-I620 PolarHBondContact O-N 3.4Å; I620-R623 PolarHBondContact O-N 3.47Å; I620-R624 WeakPolarHBondContact O-CG 3.45Å; I620-R624 PolarHBondContact O-N 2.99Å; I620-L648 HydrophobicContact CD1-CD2 4.46Å; I620-V653 HydrophobicContact CD1-CG1 4.11Å; I620-V653 HydrophobicContact CD1-CG2 4.24Å
621A77.2Confident76.3Confident54 Ų5466 Ų6645%0.44634%0.339SS..Hα-helixtrans-69.1-44.5177.600000112.2K617 A618 R623 R624K617-A621 VanDerWaalsContact O-CB 3.28Å; K617-A621 WeakPolarHBondContact O-CB 3.41Å; K617-A621 PolarHBondContact O-N 2.99Å; A618-A621 PolarHBondContact O-N 2.78Å; A621-R623 VanDerWaalsContact C-N 3.3Å; A621-R623 PolarHBondContact O-N 2.71Å; A621-R624 PolarHBondContact O-N 2.91Å
622E75.1Confident76.5Confident101 Ų10162 Ų6247%0.47232%0.32SS..Hα-helixtrans-54.2-47171.5-74.3166.2-17300110.7A618 N625 F626A618-E622 WeakPolarHBondContact O-CB 3.22Å; A618-E622 VanDerWaalsContact O-CG 3.27Å; A618-E622 WeakPolarHBondContact O-CG 3.46Å; A618-E622 PolarHBondContact O-N 2.7Å; E622-N625 PolarHBondContact O-N 3.22Å; E622-N625 PolarHBondContact O-ND2 2.65Å; E622-F626 WeakPolarHBondContact O-CD2 3.25Å
623R67.9Low76.8Confident62 Ų6261.9 Ų61.923%0.23432%0.32CS..Hα-helixtrans-73.7-24.2179.2-70.7-73.5178.5160.5-0.5114.5L619 I620 A621 N625 F626 E629 L696L619-R623 WeakPolarHBondContact O-CB 3.48Å; L619-R623 VanDerWaalsContact O-CG 3.31Å; L619-R623 WeakPolarHBondContact O-CG 3.42Å; L619-R623 PolarHBondContact O-N 3.34Å; I620-R623 PolarHBondContact O-N 3.47Å; A621-R623 VanDerWaalsContact C-N 3.3Å; A621-R623 PolarHBondContact O-N 2.71Å; R623-N625 PolarHBondContact O-N 3.18Å; R623-N625 VanDerWaalsContact O-N 3.14Å; R623-F626 CarbonylContact O-C 3.57Å; R623-F626 WeakPolarHBondContact O-CA 3.39Å; R623-F626 PolarHBondContact O-N 2.91Å; R623-E629 IonicContact CZ-OE2 2.79Å; R623-E629 IonicContact NH1-OE1 3.37Å; R623-E629 IonicContact NH1-OE2 3.3Å; R623-E629 PolarHBondContact NH1-OE2 2.89Å; R623-L696 HydrophobicContact CG-CD2 4.24Å
624R61.3Low77.1Confident175 Ų17560.9 Ų60.966%0.6632%0.315SS*.Hα-helixtrans-61.1-21.3174.1-84.6176.4-178.2-170.61.4113.3I620 A621 F626I620-R624 WeakPolarHBondContact O-CG 3.45Å; I620-R624 PolarHBondContact O-N 2.99Å; A621-R624 PolarHBondContact O-N 2.91Å; R624-F626 VanDerWaalsContact C-N 3.27Å
625N54.3Low77.5Confident137 Ų13756 Ų5673%0.73329%0.291SS*.THydrogen-bonded Turntrans-75.5-14.6172.3-57.8-44.4000113.3E622 R623E622-N625 PolarHBondContact O-N 3.22Å; E622-N625 PolarHBondContact O-ND2 2.65Å; R623-N625 PolarHBondContact O-N 3.18Å; R623-N625 VanDerWaalsContact O-N 3.14Å
626F53.1Low77.6Confident133 Ų13355 Ų5558%0.58329%0.292SS*.SBendtrans-111.992.3177.7-60.2-84000109E622 R623 R624E622-F626 WeakPolarHBondContact O-CD2 3.25Å; R623-F626 CarbonylContact O-C 3.57Å; R623-F626 WeakPolarHBondContact O-CA 3.39Å; R623-F626 PolarHBondContact O-N 2.91Å; R624-F626 VanDerWaalsContact C-N 3.27Å
627A51.3Low77.7Confident83 Ų8358.2 Ų58.269%0.68631%0.309SS*.THydrogen-bonded Turntrans-59.5137.5-167.300000114.4
628N60.8Low78.1Confident109 Ų10957.5 Ų57.558%0.58331%0.313SS*.THydrogen-bonded Turntrans63.636.9167.8-59.1-24000116.7P675N628-P675 CarbonylContact C-O 3.49Å
629E72.6Confident78.5Confident73 Ų7359.8 Ų59.834%0.34132%0.324SS..  trans-95.1122.9170.7-74.2-164.1152.600112.8R623 P675 P695R623-E629 IonicContact CZ-OE2 2.79Å; R623-E629 IonicContact NH1-OE1 3.37Å; R623-E629 IonicContact NH1-OE2 3.3Å; R623-E629 PolarHBondContact NH1-OE2 2.89Å; E629-P675 CarbonylContact C-O 3.6Å; E629-P695 HydrophobicContact CB-CG 3.63Å; E629-P695 HydrophobicContact CG-CB 4.48Å; E629-P695 HydrophobicContact CG-CG 3.9Å
630P81.1Confident78.9Confident22 Ų2261 Ų6114%0.14333%0.329CS..  trans-81.2143.717929.4-32.6000112.2W670 P675 P695P630-W670 HydrophobicContact CB-CH2 4.11Å; P630-W670 HydrophobicContact CB-CZ2 3.63Å; P630-P675 WeakPolarHBondContact CA-O 3.41Å; P630-P675 WeakPolarHBondContact CB-O 3.33Å; P630-P675 WeakPolarHBondContact CD-O 3.4Å; P630-P675 VanDerWaalsContact N-O 3.12Å; P630-P695 VanDerWaalsContact O-CD 3.26Å; P630-P695 WeakPolarHBondContact O-CD 3.35Å; P630-P695 WeakPolarHBondContact O-CG 3.14Å
631A87.9Confident79.7Confident15 Ų1559.4 Ų59.412%0.12432%0.321CS..EExtended strand (participates in β ladder)trans-122.5139.6178.200000111.8G677 L678 L679 L696A631-G677 PolarHBondContact N-O 3.01Å; A631-L678 HydrophobicContact CB-CD1 3.77Å; A631-L679 PolarHBondContact O-N 3.17Å; A631-L696 HydrophobicContact CB-CB 4.19Å; A631-L696 HydrophobicContact CB-CD2 4.18Å; A631-L696 HydrophobicContact CB-CG 4.36Å
632V92.8Very high80.4Confident0 Ų061.4 Ų61.40%032%0.324CS..EExtended strand (participates in β ladder)trans-113137.5171.8-177.70000109.3W670 L679 V681 C691 I694 L696 L697 I698 L715V632-W670 HydrophobicContact CG2-CH2 3.59Å; V632-W670 HydrophobicContact CG2-CZ2 4.14Å; V632-W670 HydrophobicContact CG2-CZ3 4.39Å; V632-L679 HydrophobicContact CG2-CB 4.47Å; V632-L679 HydrophobicContact CG2-CD2 4.44Å; V632-V681 HydrophobicContact CG1-CG1 4.42Å; V632-V681 HydrophobicContact CG1-CG2 3.93Å; V632-C691 HydrophobicContact CG2-CB 4.23Å; V632-I694 HydrophobicContact CG2-CB 4.48Å; V632-I694 HydrophobicContact CG2-CG2 3.69Å; V632-L696 PolarHBondContact N-O 2.76Å; V632-L696 VanDerWaalsContact N-O 3.09Å; V632-L697 HydrophobicContact CB-CD1 4.25Å; V632-L697 HydrophobicContact CG1-CD1 4.33Å; V632-L697 CarbonylContact O-C 3.31Å; V632-L697 WeakPolarHBondContact O-CA 3.34Å; V632-I698 PolarHBondContact O-N 3.22Å; V632-L715 HydrophobicContact CG1-CD1 3.93Å
633M94.4Very high81.2Confident0 Ų061.3 Ų61.30%033%0.326CS..EExtended strand (participates in β ladder)trans-125.1125.8177.7-180-177.1-69.500110.5L616 L644 L678 L679 L680 V681 I698 Y700L616-M633 HydrophobicContact CD1-CE 3.35Å; L616-M633 HydrophobicContact CD2-CE 3.62Å; L616-M633 HydrophobicContact CG-CE 4.13Å; M633-L644 HydrophobicContact SD-CD2 3.41Å; M633-L644 WeakPolarHBondContact SD-CD2 3.42Å; M633-L644 HydrophobicContact SD-CG 4.46Å; M633-L678 HydrophobicContact CB-CD1 4.05Å; M633-L678 HydrophobicContact CE-CD1 4.31Å; M633-L678 HydrophobicContact CE-CD2 3.94Å; M633-L679 PolarHBondContact N-O 2.9Å; M633-L680 HydrophobicContact CB-CD2 3.97Å; M633-L680 HydrophobicContact CG-CD2 4.23Å; M633-L680 HydrophobicContact SD-CD2 3.62Å; M633-V681 PolarHBondContact O-N 3.36Å; M633-I698 CarbonylContact C-O 3.57Å; M633-I698 VanDerWaalsContact CA-O 3.27Å; M633-I698 WeakPolarHBondContact CA-O 3.26Å; M633-I698 HydrophobicContact CB-CB 4.2Å; M633-I698 HydrophobicContact CE-CB 4.11Å; M633-I698 HydrophobicContact CE-CD1 3.78Å; M633-I698 HydrophobicContact CE-CG2 3.94Å; M633-I698 HydrophobicContact CG-CB 4.08Å; M633-I698 HydrophobicContact CG-CG2 4.27Å; M633-Y700 HydrophobicContact CE-CD2 4.47Å; M633-Y700 HydrophobicContact SD-CD2 3.95Å; M633-Y700 HydrophobicContact SD-CG 4.27Å
634V96.3Very high82.4Confident0 Ų058.6 Ų58.60%032%0.316CS..EExtended strand (participates in β ladder)trans-104117.6179.8-164.40000110V681 V686 L697 I698 Y700 R712 L715V634-V681 WeakPolarHBondContact CA-O 3.43Å; V634-V681 HydrophobicContact CB-CG2 4.27Å; V634-V681 HydrophobicContact CG1-CG2 4.24Å; V634-V681 HydrophobicContact CG2-CG2 3.82Å; V634-V686 HydrophobicContact CG1-CG2 4.26Å; V634-V686 HydrophobicContact CG2-CG2 4.38Å; V634-L697 HydrophobicContact CG2-CD1 3.88Å; V634-I698 PolarHBondContact N-O 3.08Å; V634-Y700 PolarHBondContact O-N 3.4Å; V634-Y700 VanDerWaalsContact O-N 3.16Å; V634-R712 HydrophobicContact CB-CG 4.35Å; V634-R712 HydrophobicContact CG1-CG 4.09Å; V634-R712 VanDerWaalsContact CG1-NE 3.34Å; V634-R712 HydrophobicContact CG2-CB 4.42Å; V634-R712 HydrophobicContact CG2-CG 4.18Å; V634-R712 PolarHBondContact O-NH1 3Å; V634-L715 HydrophobicContact CG2-CD1 4.43Å
635C94.5Very high83.8Confident0 Ų054.6 Ų54.60%030%0.301CS..EExtended strand (participates in β ladder)trans-95.8163.2169.9-62.60000110.4E640 V641 V681C635-E640 HydrophobicContact CB-CB 4.24Å; C635-E640 HydrophobicContact CB-CG 3.98Å; C635-E640 WeakPolarHBondContact CB-OE2 3.49Å; C635-V641 HydrophobicContact CB-CG2 3.58Å; C635-V681 PolarHBondContact N-O 3.16Å
636S89Confident85.5Confident42 Ų4256.4 Ų56.429%0.29430%0.297SS..SBendtrans-71-35.2178.565.20000113.2E640S636-E640 WeakPolarHBondContact CB-OE2 3.19Å; S636-E640 PolarHBondContact N-OE2 3.41Å; S636-E640 PolarHBondContact OG-OE2 2.86Å
637N90.3Very high87.2Confident67 Ų6752.6 Ų52.636%0.35829%0.287SS..SBendtrans-152.9168.4-17469.478.6000112.8T639 E640 V641N637-T639 WeakPolarHBondContact OD1-CA 3.39Å; N637-T639 VanDerWaalsContact OD1-CB 3.27Å; N637-T639 WeakPolarHBondContact OD1-CB 3.38Å; N637-T639 PolarHBondContact OD1-N 3.1Å; N637-E640 PolarHBondContact O-N 2.95Å; N637-E640 PolarHBondContact OD1-N 3.48Å; N637-V641 PolarHBondContact O-N 3.45Å
638S92.7Very high89Confident60 Ų6048.7 Ų48.742%0.4226%0.255SS..Hα-helixtrans-69.7-31.3-176.450.30000114.1V641 L642S638-V641 PolarHBondContact O-N 3Å; S638-L642 WeakPolarHBondContact O-CG 3.45Å; S638-L642 PolarHBondContact O-N 3.32Å
639T93.4Very high90.3Very high86 Ų8647.8 Ų47.853%0.52825%0.247SC..Hα-helixtrans-65.2-43.3175.6-52.40000111N637 V641 L642 L643N637-T639 WeakPolarHBondContact OD1-CA 3.39Å; N637-T639 VanDerWaalsContact OD1-CB 3.27Å; N637-T639 WeakPolarHBondContact OD1-CB 3.38Å; N637-T639 PolarHBondContact OD1-N 3.1Å; T639-V641 VanDerWaalsContact C-N 3.34Å; T639-V641 PolarHBondContact O-N 3.47Å; T639-L642 PolarHBondContact O-N 2.82Å; T639-L643 HydrophobicContact CG2-CD1 4.26Å; T639-L643 WeakPolarHBondContact O-CG 3.39Å; T639-L643 PolarHBondContact O-N 3.21Å
640E92.9Very high90.9Very high28 Ų2848.6 Ų48.613%0.13127%0.266CS..Hα-helixtrans-59.3-43.1173.6-175.4175.3-142.400111.5C635 S636 N637 L642 L643 L644 Y700 S701C635-E640 HydrophobicContact CB-CB 4.24Å; C635-E640 HydrophobicContact CB-CG 3.98Å; C635-E640 WeakPolarHBondContact CB-OE2 3.49Å; S636-E640 WeakPolarHBondContact CB-OE2 3.19Å; S636-E640 PolarHBondContact N-OE2 3.41Å; S636-E640 PolarHBondContact OG-OE2 2.86Å; N637-E640 PolarHBondContact O-N 2.95Å; N637-E640 PolarHBondContact OD1-N 3.48Å; E640-L642 PolarHBondContact O-N 2.62Å; E640-L643 PolarHBondContact O-N 2.86Å; E640-L644 WeakPolarHBondContact O-CB 3.21Å; E640-L644 PolarHBondContact O-N 2.86Å; E640-Y700 HydrophobicContact CG-CD1 4.37Å; E640-Y700 WeakPolarHBondContact OE1-CD1 3.34Å; E640-S701 WeakPolarHBondContact OE1-CB 3.3Å; E640-S701 PolarHBondContact OE1-OG 3.06Å
641V94.4Very high91Very high0 Ų050.4 Ų50.40%027%0.274CS..Hα-helixtrans-60-42.7174.3171.90000112.3C635 N637 S638 T639 R645 I657 V659 L680 T682C635-V641 HydrophobicContact CB-CG2 3.58Å; N637-V641 PolarHBondContact O-N 3.45Å; S638-V641 PolarHBondContact O-N 3Å; T639-V641 VanDerWaalsContact C-N 3.34Å; T639-V641 PolarHBondContact O-N 3.47Å; V641-R645 WeakPolarHBondContact O-CB 3.25Å; V641-R645 PolarHBondContact O-N 2.7Å; V641-I657 HydrophobicContact CG1-CB 4.44Å; V641-I657 HydrophobicContact CG1-CD1 3.72Å; V641-I657 HydrophobicContact CG1-CG1 3.73Å; V641-I657 HydrophobicContact CG1-CG2 3.98Å; V641-V659 HydrophobicContact CB-CG1 4.04Å; V641-V659 HydrophobicContact CG1-CG1 3.89Å; V641-V659 HydrophobicContact CG2-CG1 4.11Å; V641-L680 HydrophobicContact CG1-CB 3.7Å; V641-L680 HydrophobicContact CG1-CD1 4.14Å; V641-L680 HydrophobicContact CG2-CB 4.48Å; V641-T682 HydrophobicContact CG2-CG2 4.14Å
642L92.7Very high90.7Very high97 Ų9752.3 Ų52.351%0.50830%0.296SS..Hα-helixtrans-70.2-40.1-179.5-71.5172.3000112.7S638 T639 E640 R646 I657S638-L642 WeakPolarHBondContact O-CG 3.45Å; S638-L642 PolarHBondContact O-N 3.32Å; T639-L642 PolarHBondContact O-N 2.82Å; E640-L642 PolarHBondContact O-N 2.62Å; L642-R646 WeakPolarHBondContact O-CG 3.41Å; L642-R646 PolarHBondContact O-N 3.38Å; L642-I657 HydrophobicContact CD2-CD1 4.15Å
643L92.1Very high90.1Very high98 Ų9853 Ų5351%0.51330%0.3SS..Hα-helixtrans-64.9-48.6174.2-69.4173000110.8T639 E640 R645 R646 S647T639-L643 HydrophobicContact CG2-CD1 4.26Å; T639-L643 WeakPolarHBondContact O-CG 3.39Å; T639-L643 PolarHBondContact O-N 3.21Å; E640-L643 PolarHBondContact O-N 2.86Å; L643-R645 VanDerWaalsContact C-N 3.33Å; L643-R645 PolarHBondContact O-N 2.86Å; L643-R646 WeakPolarHBondContact O-CB 3.26Å; L643-R646 PolarHBondContact O-N 3.04Å; L643-S647 PolarHBondContact O-N 2.68Å; L643-S647 VanDerWaalsContact O-N 3.11Å; L643-S647 PolarHBondContact O-OG 2.85Å
644L91.8Very high89.5Confident5 Ų559 Ų593%0.02633%0.332CS..Hα-helixtrans-63.8-36.4-178.9-175.153.2000112.5I613 L616 M633 E640 R646 S647 L648 Y700I613-L644 HydrophobicContact CD1-CD1 3.5Å; I613-L644 VanDerWaalsContact CD1-CD1 3.5Å; L616-L644 HydrophobicContact CD2-CD1 4.32Å; M633-L644 HydrophobicContact SD-CD2 3.41Å; M633-L644 WeakPolarHBondContact SD-CD2 3.42Å; M633-L644 HydrophobicContact SD-CG 4.46Å; E640-L644 WeakPolarHBondContact O-CB 3.21Å; E640-L644 PolarHBondContact O-N 2.86Å; L644-R646 VanDerWaalsContact C-N 3.33Å; L644-R646 PolarHBondContact O-N 3.43Å; L644-S647 PolarHBondContact O-N 3.33Å; L644-L648 HydrophobicContact CD1-CD1 4.26Å; L644-L648 HydrophobicContact CD1-CG 4.24Å; L644-L648 HydrophobicContact CG-CD1 3.96Å; L644-L648 HydrophobicContact CG-CG 4.44Å; L644-L648 WeakPolarHBondContact O-CB 3.25Å; L644-L648 VanDerWaalsContact O-CG 3.26Å; L644-L648 WeakPolarHBondContact O-CG 3.43Å; L644-L648 PolarHBondContact O-N 3.17Å; L644-Y700 HydrophobicContact CD1-CD2 4.36Å; L644-Y700 HydrophobicContact CD1-CE2 3.71Å; L644-Y700 HydrophobicContact CD2-CD1 3.96Å; L644-Y700 HydrophobicContact CD2-CD2 3.51Å; L644-Y700 HydrophobicContact CD2-CE1 4.14Å; L644-Y700 HydrophobicContact CD2-CE2 3.69Å; L644-Y700 HydrophobicContact CD2-CG 3.66Å; L644-Y700 HydrophobicContact CG-CE2 4.38Å
645R91.1Very high89.1Confident91 Ų9159.3 Ų59.334%0.34334%0.335SS..Hα-helixtrans-59-41.5171.4178170.6174.6171.34.2112.3V641 L643 L648 Q649 I657 L680V641-R645 WeakPolarHBondContact O-CB 3.25Å; V641-R645 PolarHBondContact O-N 2.7Å; L643-R645 VanDerWaalsContact C-N 3.33Å; L643-R645 PolarHBondContact O-N 2.86Å; R645-L648 PolarHBondContact O-N 3.42Å; R645-Q649 HydrophobicContact CG-CG 4.28Å; R645-Q649 WeakPolarHBondContact O-CB 3.46Å; R645-Q649 VanDerWaalsContact O-CG 3.27Å; R645-Q649 WeakPolarHBondContact O-CG 3.3Å; R645-Q649 PolarHBondContact O-N 3.37Å; R645-I657 HydrophobicContact CB-CD1 4.09Å; R645-I657 HydrophobicContact CG-CD1 4.31Å; R645-L680 HydrophobicContact CB-CD1 3.95Å
646R91.1Very high88.8Confident175 Ų17561.1 Ų61.166%0.6634%0.343SS*.Hα-helixtrans-64.1-46.2177.4-66.5171.9-177.2177.11.1110.9L642 L643 L644 L648 Q649 A650L642-R646 WeakPolarHBondContact O-CG 3.41Å; L642-R646 PolarHBondContact O-N 3.38Å; L643-R646 WeakPolarHBondContact O-CB 3.26Å; L643-R646 PolarHBondContact O-N 3.04Å; L644-R646 VanDerWaalsContact C-N 3.33Å; L644-R646 PolarHBondContact O-N 3.43Å; R646-L648 VanDerWaalsContact C-N 3.32Å; R646-L648 PolarHBondContact O-N 3.14Å; R646-Q649 PolarHBondContact O-N 2.9Å; R646-A650 WeakPolarHBondContact O-CB 3.47Å; R646-A650 PolarHBondContact O-N 2.67Å
647S89Confident89Confident54 Ų5459.9 Ų59.938%0.37833%0.333SS..Hα-helixtrans-59.7-41.6176.1-56.50000112.2L643 L644 A650 I651L643-S647 PolarHBondContact O-N 2.68Å; L643-S647 VanDerWaalsContact O-N 3.11Å; L643-S647 PolarHBondContact O-OG 2.85Å; L644-S647 PolarHBondContact O-N 3.33Å; S647-A650 PolarHBondContact O-N 2.91Å; S647-I651 PolarHBondContact O-N 3.46Å
648L87.3Confident89.1Confident0 Ų056.7 Ų56.70%032%0.316CS..Hα-helixtrans-66.9-43.2176.8-74.9166.8000112.7L616 I620 L644 R645 R646 A650 I651 G652 V653 A655 L678 L680L616-L648 HydrophobicContact CD2-CD2 3.84Å; L616-L648 HydrophobicContact CG-CD2 4.4Å; I620-L648 HydrophobicContact CD1-CD2 4.46Å; L644-L648 HydrophobicContact CD1-CD1 4.26Å; L644-L648 HydrophobicContact CD1-CG 4.24Å; L644-L648 HydrophobicContact CG-CD1 3.96Å; L644-L648 HydrophobicContact CG-CG 4.44Å; L644-L648 WeakPolarHBondContact O-CB 3.25Å; L644-L648 VanDerWaalsContact O-CG 3.26Å; L644-L648 WeakPolarHBondContact O-CG 3.43Å; L644-L648 PolarHBondContact O-N 3.17Å; R645-L648 PolarHBondContact O-N 3.42Å; R646-L648 VanDerWaalsContact C-N 3.32Å; R646-L648 PolarHBondContact O-N 3.14Å; L648-A650 VanDerWaalsContact C-N 3.33Å; L648-A650 PolarHBondContact O-N 2.76Å; L648-I651 HydrophobicContact CD2-CD1 4.29Å; L648-I651 CarbonylContact O-C 3.53Å; L648-I651 WeakPolarHBondContact O-CG1 3.49Å; L648-I651 PolarHBondContact O-N 2.97Å; L648-I651 VanDerWaalsContact O-N 3.17Å; L648-G652 PolarHBondContact O-N 3.46Å; L648-V653 CarbonylContact C-O 3.59Å; L648-V653 VanDerWaalsContact C-O 3.28Å; L648-V653 HydrophobicContact CB-CB 4.18Å; L648-V653 HydrophobicContact CB-CG1 4.43Å; L648-V653 HydrophobicContact CD2-CB 3.95Å; L648-V653 HydrophobicContact CD2-CG1 3.88Å; L648-V653 HydrophobicContact CD2-CG2 4.46Å; L648-V653 PolarHBondContact O-N 3.39Å; L648-A655 HydrophobicContact CD1-CB 4.13Å; L648-L678 HydrophobicContact CD1-CD2 3.77Å; L648-L678 HydrophobicContact CD2-CD2 4.49Å; L648-L680 HydrophobicContact CD1-CD1 4.16Å; L648-L680 HydrophobicContact CD1-CD2 4.05Å
649Q87.9Confident89Confident91 Ų9155.9 Ų55.943%0.42531%0.308SS..Hα-helixtrans-63.2-39.3176.3-74.5177-55.900111.8R645 R646 I651 G652R645-Q649 HydrophobicContact CG-CG 4.28Å; R645-Q649 WeakPolarHBondContact O-CB 3.46Å; R645-Q649 VanDerWaalsContact O-CG 3.27Å; R645-Q649 WeakPolarHBondContact O-CG 3.3Å; R645-Q649 PolarHBondContact O-N 3.37Å; R646-Q649 PolarHBondContact O-N 2.9Å; Q649-I651 PolarHBondContact O-N 3.33Å; Q649-G652 PolarHBondContact O-N 3.47Å; Q649-G652 VanDerWaalsContact O-N 3.1Å
650A87.1Confident88.8Confident90 Ų9054.2 Ų54.274%0.74430%0.3SS*.Hα-helixtrans-62.6-22.5176.200000113.7R646 S647 L648R646-A650 WeakPolarHBondContact O-CB 3.47Å; R646-A650 PolarHBondContact O-N 2.67Å; S647-A650 PolarHBondContact O-N 2.91Å; L648-A650 VanDerWaalsContact C-N 3.33Å; L648-A650 PolarHBondContact O-N 2.76Å
651I81.7Confident88.4Confident59 Ų5957.3 Ų57.330%0.30331%0.314SS..THydrogen-bonded Turntrans-105.116.4176.567.2168.3000113.2I613 K617 S647 L648 Q649 V653I613-I651 HydrophobicContact CG2-CD1 4.17Å; K617-I651 HydrophobicContact CD-CD1 4.18Å; K617-I651 HydrophobicContact CG-CD1 3.58Å; S647-I651 PolarHBondContact O-N 3.46Å; L648-I651 HydrophobicContact CD2-CD1 4.29Å; L648-I651 CarbonylContact O-C 3.53Å; L648-I651 WeakPolarHBondContact O-CG1 3.49Å; L648-I651 PolarHBondContact O-N 2.97Å; L648-I651 VanDerWaalsContact O-N 3.17Å; Q649-I651 PolarHBondContact O-N 3.33Å; I651-V653 HydrophobicContact CD1-CG2 4.27Å; I651-V653 HydrophobicContact CG1-CB 4.48Å; I651-V653 HydrophobicContact CG1-CG2 4.14Å; I651-V653 PolarHBondContact O-N 3.42Å
652G81.4Confident87.9Confident56 Ų5661.4 Ų61.458%0.57735%0.349SS*.THydrogen-bonded Turntrans73.124.7176.400000114.8L648 Q649L648-G652 PolarHBondContact O-N 3.46Å; Q649-G652 PolarHBondContact O-N 3.47Å; Q649-G652 VanDerWaalsContact O-N 3.1Å
653V81.5Confident87.6Confident15 Ų1558 Ų589%0.09133%0.332CS..  trans-107.5109.4174.1178.70000109.8I620 L648 I651I620-V653 HydrophobicContact CD1-CG1 4.11Å; I620-V653 HydrophobicContact CD1-CG2 4.24Å; L648-V653 CarbonylContact C-O 3.59Å; L648-V653 VanDerWaalsContact C-O 3.28Å; L648-V653 HydrophobicContact CB-CB 4.18Å; L648-V653 HydrophobicContact CB-CG1 4.43Å; L648-V653 HydrophobicContact CD2-CB 3.95Å; L648-V653 HydrophobicContact CD2-CG1 3.88Å; L648-V653 HydrophobicContact CD2-CG2 4.46Å; L648-V653 PolarHBondContact O-N 3.39Å; I651-V653 HydrophobicContact CD1-CG2 4.27Å; I651-V653 HydrophobicContact CG1-CB 4.48Å; I651-V653 HydrophobicContact CG1-CG2 4.14Å; I651-V653 PolarHBondContact O-N 3.42Å
654N81.2Confident87.3Confident125 Ų12556.3 Ų56.367%0.66832%0.32SS*.  trans-76.6128.2170.9-75.5-35.4000110.4
655A87.1Confident86.9Confident7 Ų759.8 Ų59.86%0.05834%0.344CS..EExtended strand (participates in β ladder)trans-131.7134.7178.200000111.2L648 L678 L680L648-A655 HydrophobicContact CD1-CB 4.13Å; A655-L678 CarbonylContact C-O 3.47Å; A655-L678 VanDerWaalsContact CA-O 3.31Å; A655-L678 WeakPolarHBondContact CA-O 3.48Å; A655-L678 HydrophobicContact CB-CB 4.11Å; A655-L678 HydrophobicContact CB-CD2 4.27Å; A655-L678 HydrophobicContact CB-CG 4.38Å; A655-L680 HydrophobicContact CB-CD1 4.1Å; A655-L680 HydrophobicContact CB-CD2 4.44Å; A655-L680 HydrophobicContact CB-CG 3.98Å
656H89.6Confident86.6Confident38 Ų3857.8 Ų57.818%0.17634%0.341CS..EExtended strand (participates in β ladder)trans-82.3158.3173.4-69.5-97.1000110.1E669 W670 Q673 S674 L678 L679 L680H656-E669 VanDerWaalsContact CE1-CG 3.45Å; H656-E669 WeakPolarHBondContact CE1-CG 3.27Å; H656-W670 HydrophobicContact CB-CB 3.99Å; H656-W670 HydrophobicContact CB-CG 4.32Å; H656-W670 AromaticContact CD2-CD1 3.62Å; H656-Q673 PolarHBondContact CE1-OE1 3.4Å; H656-S674 WeakPolarHBondContact NE2-CB 3.47Å; H656-S674 PolarHBondContact NE2-OG 3.31Å; H656-L678 PolarHBondContact N-O 3.44Å; H656-L679 HydrophobicContact CB-CD1 3.8Å; H656-L680 PolarHBondContact O-N 3.18Å
657I92.3Very high86.4Confident16 Ų1649.8 Ų49.88%0.08231%0.311CS..EExtended strand (participates in β ladder)trans-125.5135.3-178.3-72.9-178.4000110.7V641 L642 R645 V659 N666 L680V641-I657 HydrophobicContact CG1-CB 4.44Å; V641-I657 HydrophobicContact CG1-CD1 3.72Å; V641-I657 HydrophobicContact CG1-CG1 3.73Å; V641-I657 HydrophobicContact CG1-CG2 3.98Å; L642-I657 HydrophobicContact CD2-CD1 4.15Å; R645-I657 HydrophobicContact CB-CD1 4.09Å; R645-I657 HydrophobicContact CG-CD1 4.31Å; I657-V659 HydrophobicContact CG2-CB 4.48Å; I657-V659 HydrophobicContact CG2-CG1 3.83Å; I657-V659 HydrophobicContact CG2-CG2 4.15Å; I657-N666 WeakPolarHBondContact O-CB 3.42Å; I657-N666 PolarHBondContact O-ND2 3.13Å; I657-L680 WeakPolarHBondContact CA-O 3.31Å; I657-L680 HydrophobicContact CG1-CB 4.38Å; I657-L680 HydrophobicContact CG1-CD1 4.45Å
658C91.8Very high86Confident0 Ų050.3 Ų50.30%032%0.318CS..EExtended strand (participates in β ladder)trans-135.9100.2161.7-1760000110.3C663 V667 L679 L680 V681 V685C658-C663 HydrophobicContact CB-CB 4.21Å; C658-V667 HydrophobicContact CB-CG2 4Å; C658-L679 HydrophobicContact CB-CD1 4.35Å; C658-L680 PolarHBondContact N-O 3.1Å; C658-V681 HydrophobicContact CB-CG1 4.11Å; C658-V681 WeakPolarHBondContact O-CA 3.44Å; C658-V685 WeakPolarHBondContact O-CG2 3.37Å
659V90.8Very high85.8Confident42 Ų4253.4 Ų53.426%0.25533%0.333SS..  trans-107.1-11.4-179.1-71.50000114.2V641 I657 T682V641-V659 HydrophobicContact CB-CG1 4.04Å; V641-V659 HydrophobicContact CG1-CG1 3.89Å; V641-V659 HydrophobicContact CG2-CG1 4.11Å; I657-V659 HydrophobicContact CG2-CB 4.48Å; I657-V659 HydrophobicContact CG2-CG1 3.83Å; I657-V659 HydrophobicContact CG2-CG2 4.15Å; V659-T682 HydrophobicContact CG1-CG2 4.13Å; V659-T682 PolarHBondContact O-OG1 2.88Å
660S89.8Confident85.7Confident52 Ų5249.1 Ų49.136%0.36431%0.313SS..SBendtrans-150.9168.817870.20000110.6A662 C663S660-A662 PolarHBondContact O-N 3.03Å; S660-C663 WeakPolarHBondContact O-CB 3.34Å; S660-C663 PolarHBondContact O-N 2.88Å
661E84.4Confident85.4Confident92 Ų9248.5 Ų48.543%0.4330%0.297SS..G310 helixtrans-61.9-30.1-178.7-54-136.8123.900113.2C663 Y664 R688E661-C663 PolarHBondContact O-N 2.88Å; E661-C663 VanDerWaalsContact O-N 3.16Å; E661-Y664 VanDerWaalsContact CA-CE2 3.48Å; E661-Y664 HydrophobicContact CB-CD2 3.95Å; E661-Y664 HydrophobicContact CB-CE2 3.45Å; E661-Y664 VanDerWaalsContact CB-CE2 3.45Å; E661-Y664 HydrophobicContact CG-CE2 3.67Å; E661-Y664 WeakPolarHBondContact O-CB 3.28Å; E661-Y664 WeakPolarHBondContact O-CD2 3.37Å; E661-Y664 VanDerWaalsContact O-CG 3.32Å; E661-Y664 PolarHBondContact O-N 3.19Å; E661-Y664 VanDerWaalsContact O-N 3.11Å; E661-Y664 WeakPolarHBondContact OE1-CE2 3.48Å; E661-Y664 PolarHBondContact OE1-OH 2.99Å; E661-R688 WeakPolarHBondContact OE1-CD 3.25Å; E661-R688 IonicContact OE1-CZ 3.83Å; E661-R688 IonicContact OE1-NE 2.81Å; E661-R688 IonicContact OE1-NH1 2.81Å; E661-R688 PolarHBondContact OE1-NH1 3.02Å; E661-R688 IonicContact OE2-CZ 3.72Å; E661-R688 IonicContact OE2-NH1 3.25Å; E661-R688 PolarHBondContact OE2-NH1 3.16Å
662A84.5Confident85.2Confident87 Ų8753.4 Ų53.472%0.71931%0.311SS*.G310 helixtrans-62.3-19.3174.400000112.9S660S660-A662 PolarHBondContact O-N 3.03Å
663C85.6Confident84.6Confident25 Ų2555.7 Ų55.717%0.16931%0.307CS..G310 helixtrans-93.26177.1-56.80000114.1C658 S660 E661 S665 N666C658-C663 HydrophobicContact CB-CB 4.21Å; S660-C663 WeakPolarHBondContact O-CB 3.34Å; S660-C663 PolarHBondContact O-N 2.88Å; E661-C663 PolarHBondContact O-N 2.88Å; E661-C663 VanDerWaalsContact O-N 3.16Å; C663-S665 PolarHBondContact O-N 2.66Å; C663-N666 VanDerWaalsContact O-CB 3.23Å; C663-N666 WeakPolarHBondContact O-CB 3.32Å; C663-N666 PolarHBondContact O-N 2.93Å
664Y86.4Confident83.8Confident63 Ų6356.2 Ų56.225%0.24731%0.311CS..Hα-helixtrans-62.4-24.8179.8-70.5-37.9000113.5E661 N666 V667 V685 L689E661-Y664 VanDerWaalsContact CA-CE2 3.48Å; E661-Y664 HydrophobicContact CB-CD2 3.95Å; E661-Y664 HydrophobicContact CB-CE2 3.45Å; E661-Y664 VanDerWaalsContact CB-CE2 3.45Å; E661-Y664 HydrophobicContact CG-CE2 3.67Å; E661-Y664 WeakPolarHBondContact O-CB 3.28Å; E661-Y664 WeakPolarHBondContact O-CD2 3.37Å; E661-Y664 VanDerWaalsContact O-CG 3.32Å; E661-Y664 PolarHBondContact O-N 3.19Å; E661-Y664 VanDerWaalsContact O-N 3.11Å; E661-Y664 WeakPolarHBondContact OE1-CE2 3.48Å; E661-Y664 PolarHBondContact OE1-OH 2.99Å; Y664-N666 VanDerWaalsContact C-N 3.26Å; Y664-N666 PolarHBondContact O-N 3.41Å; Y664-V667 WeakPolarHBondContact O-CB 3.47Å; Y664-V667 PolarHBondContact O-N 3.28Å; Y664-V667 VanDerWaalsContact O-N 3.16Å; Y664-V685 HydrophobicContact CE1-CB 4.08Å; Y664-V685 HydrophobicContact CE1-CG1 4.25Å; Y664-L689 HydrophobicContact CD1-CD1 4.02Å; Y664-L689 HydrophobicContact CE1-CD1 3.97Å
665S83.9Confident82.6Confident77 Ų7753.2 Ų53.254%0.53830%0.299SS..Hα-helixtrans-55.5-39.8168.945.40000112.6C663 V667 A668 E669C663-S665 PolarHBondContact O-N 2.66Å; S665-V667 PolarHBondContact O-N 3.11Å; S665-A668 PolarHBondContact O-N 3.1Å; S665-A668 VanDerWaalsContact O-N 3.12Å; S665-E669 PolarHBondContact O-N 3.03Å
666N84.3Confident81.5Confident50 Ų5056.8 Ų56.827%0.26732%0.323SS..Hα-helixtrans-63.1-24.4179.8-54.6-3.3000112I657 C663 Y664 W670I657-N666 WeakPolarHBondContact O-CB 3.42Å; I657-N666 PolarHBondContact O-ND2 3.13Å; C663-N666 VanDerWaalsContact O-CB 3.23Å; C663-N666 WeakPolarHBondContact O-CB 3.32Å; C663-N666 PolarHBondContact O-N 2.93Å; Y664-N666 VanDerWaalsContact C-N 3.26Å; Y664-N666 PolarHBondContact O-N 3.41Å; N666-W670 VanDerWaalsContact O-CB 3.25Å; N666-W670 WeakPolarHBondContact O-CB 3.39Å; N666-W670 PolarHBondContact O-N 2.92Å
667V86.1Confident80.8Confident7 Ų755.4 Ų55.44%0.04232%0.319CS..Hα-helixtrans-73.4-42176.6-171.30000110.5C658 Y664 S665 E669 W670 L671 L679 L689C658-V667 HydrophobicContact CB-CG2 4Å; Y664-V667 WeakPolarHBondContact O-CB 3.47Å; Y664-V667 PolarHBondContact O-N 3.28Å; Y664-V667 VanDerWaalsContact O-N 3.16Å; S665-V667 PolarHBondContact O-N 3.11Å; V667-E669 VanDerWaalsContact C-N 3.3Å; V667-W670 HydrophobicContact CG1-CE3 4.02Å; V667-W670 HydrophobicContact CG1-CZ3 4.28Å; V667-W670 PolarHBondContact O-N 3.4Å; V667-L671 HydrophobicContact CG1-CD1 4.45Å; V667-L671 VanDerWaalsContact O-CG 3.31Å; V667-L671 WeakPolarHBondContact O-CG 3.4Å; V667-L671 PolarHBondContact O-N 3.5Å; V667-L671 VanDerWaalsContact O-N 3.07Å; V667-L679 HydrophobicContact CG1-CD2 4.31Å; V667-L679 HydrophobicContact CG2-CD2 4.31Å; V667-L689 HydrophobicContact CG2-CD1 3.72Å
668A82.1Confident80.6Confident64 Ų6455.1 Ų55.153%0.52932%0.318SS..Hα-helixtrans-69.1-30.4173.900000112S665 R672S665-A668 PolarHBondContact O-N 3.1Å; S665-A668 VanDerWaalsContact O-N 3.12Å; A668-R672 VanDerWaalsContact O-CB 3.27Å; A668-R672 WeakPolarHBondContact O-CB 3.45Å; A668-R672 PolarHBondContact O-N 3.01Å
669E82.3Confident80.6Confident66 Ų6655.1 Ų55.131%0.30832%0.318SS..Hα-helixtrans-69.3-49.4171.2179.3139.6-100.500112.6H656 S665 V667 L671 R672 Q673H656-E669 VanDerWaalsContact CE1-CG 3.45Å; H656-E669 WeakPolarHBondContact CE1-CG 3.27Å; S665-E669 PolarHBondContact O-N 3.03Å; V667-E669 VanDerWaalsContact C-N 3.3Å; E669-L671 PolarHBondContact O-N 3.29Å; E669-R672 PolarHBondContact O-N 2.91Å; E669-R672 IonicContact OE1-CZ 4Å; E669-R672 IonicContact OE1-NH1 3.73Å; E669-R672 IonicContact OE1-NH2 2.65Å; E669-R672 PolarHBondContact OE1-NH2 3.06Å; E669-Q673 HydrophobicContact CG-CG 4Å; E669-Q673 WeakPolarHBondContact O-CB 3.49Å; E669-Q673 WeakPolarHBondContact O-CG 3.25Å; E669-Q673 PolarHBondContact O-N 3.43Å; E669-Q673 PolarHBondContact OE1-NE2 2.83Å
670W86.4Confident80.8Confident0 Ų053.1 Ų53.10%031%0.306CS..Hα-helixtrans-52.2-50.8174.4165.461.2000112P630 V632 H656 N666 V667 R672 Q673 S674 G677 L679 C691 I694P630-W670 HydrophobicContact CB-CH2 4.11Å; P630-W670 HydrophobicContact CB-CZ2 3.63Å; V632-W670 HydrophobicContact CG2-CH2 3.59Å; V632-W670 HydrophobicContact CG2-CZ2 4.14Å; V632-W670 HydrophobicContact CG2-CZ3 4.39Å; H656-W670 HydrophobicContact CB-CB 3.99Å; H656-W670 HydrophobicContact CB-CG 4.32Å; H656-W670 AromaticContact CD2-CD1 3.62Å; N666-W670 VanDerWaalsContact O-CB 3.25Å; N666-W670 WeakPolarHBondContact O-CB 3.39Å; N666-W670 PolarHBondContact O-N 2.92Å; V667-W670 HydrophobicContact CG1-CE3 4.02Å; V667-W670 HydrophobicContact CG1-CZ3 4.28Å; V667-W670 PolarHBondContact O-N 3.4Å; W670-R672 PolarHBondContact O-N 3.45Å; W670-Q673 PolarHBondContact O-N 3.19Å; W670-S674 CarbonylContact O-C 3.43Å; W670-S674 WeakPolarHBondContact O-CA 3.21Å; W670-S674 PolarHBondContact O-N 2.95Å; W670-G677 VanDerWaalsContact NE1-C 3.34Å; W670-G677 PolarHBondContact NE1-O 3.36Å; W670-L679 HydrophobicContact CD2-CB 3.8Å; W670-L679 HydrophobicContact CD2-CD1 4.46Å; W670-L679 HydrophobicContact CD2-CD2 4.27Å; W670-L679 HydrophobicContact CD2-CG 4.39Å; W670-L679 HydrophobicContact CE3-CB 4.15Å; W670-L679 HydrophobicContact CE3-CD2 3.78Å; W670-L679 HydrophobicContact CE3-CG 4.39Å; W670-L679 HydrophobicContact CG-CB 4.28Å; W670-L679 HydrophobicContact CG-CD1 4.46Å; W670-L679 HydrophobicContact CH2-CB 4.18Å; W670-L679 HydrophobicContact CH2-CD2 4.29Å; W670-L679 HydrophobicContact CZ2-CB 3.81Å; W670-L679 HydrophobicContact CZ3-CB 4.35Å; W670-L679 HydrophobicContact CZ3-CD2 3.82Å; W670-C691 HydrophobicContact CH2-CB 4.16Å; W670-C691 HydrophobicContact CZ3-CB 3.85Å; W670-I694 HydrophobicContact CH2-CG2 4.26Å
671L80.3Confident81.1Confident78 Ų7850.6 Ų50.641%0.40829%0.288SS..Hα-helixtrans-62.7-25.8177.9-70.5171.8000113.9V667 E669V667-L671 HydrophobicContact CG1-CD1 4.45Å; V667-L671 VanDerWaalsContact O-CG 3.31Å; V667-L671 WeakPolarHBondContact O-CG 3.4Å; V667-L671 PolarHBondContact O-N 3.5Å; V667-L671 VanDerWaalsContact O-N 3.07Å; E669-L671 PolarHBondContact O-N 3.29Å
672R77.8Confident81.6Confident162 Ų16246.4 Ų46.461%0.61127%0.269SS*.Hα-helixtrans-90.4-38.5-179.2172.9175.153.380.52.6113.2A668 E669 W670A668-R672 VanDerWaalsContact O-CB 3.27Å; A668-R672 WeakPolarHBondContact O-CB 3.45Å; A668-R672 PolarHBondContact O-N 3.01Å; E669-R672 PolarHBondContact O-N 2.91Å; E669-R672 IonicContact OE1-CZ 4Å; E669-R672 IonicContact OE1-NH1 3.73Å; E669-R672 IonicContact OE1-NH2 2.65Å; E669-R672 PolarHBondContact OE1-NH2 3.06Å; W670-R672 PolarHBondContact O-N 3.45Å
673Q69.3Low82Confident103 Ų10342.5 Ų42.548%0.48124%0.236SC..Hα-helixtrans-102.3-20.4-171.3-62.4-169.7-3.200113.8H656 E669 W670H656-Q673 PolarHBondContact CE1-OE1 3.4Å; E669-Q673 HydrophobicContact CG-CG 4Å; E669-Q673 WeakPolarHBondContact O-CB 3.49Å; E669-Q673 WeakPolarHBondContact O-CG 3.25Å; E669-Q673 PolarHBondContact O-N 3.43Å; E669-Q673 PolarHBondContact OE1-NE2 2.83Å; W670-Q673 PolarHBondContact O-N 3.19Å
674S63.6Low82.3Confident26 Ų2645.8 Ų45.818%0.18225%0.252CS..  trans-146.168.8-168.4-54.90000111.5H656 W670 S676 G677H656-S674 WeakPolarHBondContact NE2-CB 3.47Å; H656-S674 PolarHBondContact NE2-OG 3.31Å; W670-S674 CarbonylContact O-C 3.43Å; W670-S674 WeakPolarHBondContact O-CA 3.21Å; W670-S674 PolarHBondContact O-N 2.95Å; S674-S676 PolarHBondContact O-N 2.95Å; S674-G677 WeakPolarHBondContact O-CA 3.36Å; S674-G677 PolarHBondContact O-N 3.02Å
675P57.1Low82.5Confident63 Ų6342.9 Ų42.941%0.40924%0.241SC..THydrogen-bonded Turntrans-62.8-21.5179.526-35000113.9N628 E629 P630N628-P675 CarbonylContact C-O 3.49Å; E629-P675 CarbonylContact C-O 3.6Å; P630-P675 WeakPolarHBondContact CA-O 3.41Å; P630-P675 WeakPolarHBondContact CB-O 3.33Å; P630-P675 WeakPolarHBondContact CD-O 3.4Å; P630-P675 VanDerWaalsContact N-O 3.12Å
676S63.4Low82.9Confident81 Ų8139.3 Ų39.357%0.56622%0.216SC*.THydrogen-bonded Turntrans-100.412.3169.9510000113.6S674S674-S676 PolarHBondContact O-N 2.95Å
677G75.6Confident83Confident9 Ų940.8 Ų40.89%0.09323%0.228CC..  trans-85.1157.4-172.900000113.7A631 W670 S674A631-G677 PolarHBondContact N-O 3.01Å; W670-G677 VanDerWaalsContact NE1-C 3.34Å; W670-G677 PolarHBondContact NE1-O 3.36Å; S674-G677 WeakPolarHBondContact O-CA 3.36Å; S674-G677 PolarHBondContact O-N 3.02Å
678L87.4Confident83Confident10 Ų1048.1 Ų48.15%0.05226%0.255CS..EExtended strand (participates in β ladder)trans-91.6134.1172.5-173.464.9000110.9A631 M633 L648 A655 H656 L680A631-L678 HydrophobicContact CB-CD1 3.77Å; M633-L678 HydrophobicContact CB-CD1 4.05Å; M633-L678 HydrophobicContact CE-CD1 4.31Å; M633-L678 HydrophobicContact CE-CD2 3.94Å; L648-L678 HydrophobicContact CD1-CD2 3.77Å; L648-L678 HydrophobicContact CD2-CD2 4.49Å; A655-L678 CarbonylContact C-O 3.47Å; A655-L678 VanDerWaalsContact CA-O 3.31Å; A655-L678 WeakPolarHBondContact CA-O 3.48Å; A655-L678 HydrophobicContact CB-CB 4.11Å; A655-L678 HydrophobicContact CB-CD2 4.27Å; A655-L678 HydrophobicContact CB-CG 4.38Å; H656-L678 PolarHBondContact N-O 3.44Å; L678-L680 HydrophobicContact CD2-CD2 3.76Å; L678-L680 HydrophobicContact CG-CD2 4Å
679L92Very high83.3Confident0 Ų045.9 Ų45.90%023%0.234CC..EExtended strand (participates in β ladder)trans-108.9119.9169.1-178.971.8000110.2A631 V632 M633 H656 C658 V667 W670 V681 L689A631-L679 PolarHBondContact O-N 3.17Å; V632-L679 HydrophobicContact CG2-CB 4.47Å; V632-L679 HydrophobicContact CG2-CD2 4.44Å; M633-L679 PolarHBondContact N-O 2.9Å; H656-L679 HydrophobicContact CB-CD1 3.8Å; C658-L679 HydrophobicContact CB-CD1 4.35Å; V667-L679 HydrophobicContact CG1-CD2 4.31Å; V667-L679 HydrophobicContact CG2-CD2 4.31Å; W670-L679 HydrophobicContact CD2-CB 3.8Å; W670-L679 HydrophobicContact CD2-CD1 4.46Å; W670-L679 HydrophobicContact CD2-CD2 4.27Å; W670-L679 HydrophobicContact CD2-CG 4.39Å; W670-L679 HydrophobicContact CE3-CB 4.15Å; W670-L679 HydrophobicContact CE3-CD2 3.78Å; W670-L679 HydrophobicContact CE3-CG 4.39Å; W670-L679 HydrophobicContact CG-CB 4.28Å; W670-L679 HydrophobicContact CG-CD1 4.46Å; W670-L679 HydrophobicContact CH2-CB 4.18Å; W670-L679 HydrophobicContact CH2-CD2 4.29Å; W670-L679 HydrophobicContact CZ2-CB 3.81Å; W670-L679 HydrophobicContact CZ3-CB 4.35Å; W670-L679 HydrophobicContact CZ3-CD2 3.82Å; L679-V681 HydrophobicContact CD2-CG1 3.8Å; L679-V681 HydrophobicContact CG-CG1 3.75Å; L679-L689 HydrophobicContact CD2-CD2 4.47Å
680L94.2Very high83.4Confident0 Ų051.5 Ų51.50%026%0.257CS..EExtended strand (participates in β ladder)trans-92.1128.6173.6-51-179.9000110.3M633 V641 R645 L648 A655 H656 I657 C658 L678M633-L680 HydrophobicContact CB-CD2 3.97Å; M633-L680 HydrophobicContact CG-CD2 4.23Å; M633-L680 HydrophobicContact SD-CD2 3.62Å; V641-L680 HydrophobicContact CG1-CB 3.7Å; V641-L680 HydrophobicContact CG1-CD1 4.14Å; V641-L680 HydrophobicContact CG2-CB 4.48Å; R645-L680 HydrophobicContact CB-CD1 3.95Å; L648-L680 HydrophobicContact CD1-CD1 4.16Å; L648-L680 HydrophobicContact CD1-CD2 4.05Å; A655-L680 HydrophobicContact CB-CD1 4.1Å; A655-L680 HydrophobicContact CB-CD2 4.44Å; A655-L680 HydrophobicContact CB-CG 3.98Å; H656-L680 PolarHBondContact O-N 3.18Å; I657-L680 WeakPolarHBondContact CA-O 3.31Å; I657-L680 HydrophobicContact CG1-CB 4.38Å; I657-L680 HydrophobicContact CG1-CD1 4.45Å; C658-L680 PolarHBondContact N-O 3.1Å; L678-L680 HydrophobicContact CD2-CD2 3.76Å; L678-L680 HydrophobicContact CG-CD2 4Å
681V95.6Very high83.2Confident0 Ų051.7 Ų51.70%026%0.259CS..EExtended strand (participates in β ladder)trans-138.1164.2-178.7-53.50000113.1V632 M633 V634 C635 C658 L679 V685 V686 L689V632-V681 HydrophobicContact CG1-CG1 4.42Å; V632-V681 HydrophobicContact CG1-CG2 3.93Å; M633-V681 PolarHBondContact O-N 3.36Å; V634-V681 WeakPolarHBondContact CA-O 3.43Å; V634-V681 HydrophobicContact CB-CG2 4.27Å; V634-V681 HydrophobicContact CG1-CG2 4.24Å; V634-V681 HydrophobicContact CG2-CG2 3.82Å; C635-V681 PolarHBondContact N-O 3.16Å; C658-V681 HydrophobicContact CB-CG1 4.11Å; C658-V681 WeakPolarHBondContact O-CA 3.44Å; L679-V681 HydrophobicContact CD2-CG1 3.8Å; L679-V681 HydrophobicContact CG-CG1 3.75Å; V681-V685 HydrophobicContact CB-CG2 3.8Å; V681-V685 HydrophobicContact CG1-CG2 4.32Å; V681-V686 HydrophobicContact CG2-CG2 4.28Å; V681-L689 HydrophobicContact CB-CD2 4.47Å; V681-L689 HydrophobicContact CG1-CD2 3.87Å; V681-L689 HydrophobicContact CG2-CD2 4.39Å
682T94.9Very high83.3Confident4 Ų449.9 Ų49.93%0.02526%0.258CS..EExtended strand (participates in β ladder)trans-103.8160.1168.848.50000111.5V641 V659 D684 V685V641-T682 HydrophobicContact CG2-CG2 4.14Å; V659-T682 HydrophobicContact CG1-CG2 4.13Å; V659-T682 PolarHBondContact O-OG1 2.88Å; T682-D684 PolarHBondContact O-N 3.45Å; T682-D684 VanDerWaalsContact O-N 3.07Å; T682-V685 VanDerWaalsContact O-CG2 3.29Å; T682-V685 WeakPolarHBondContact O-CG2 3.49Å; T682-V685 PolarHBondContact O-N 2.99Å
683D93.4Very high83.7Confident4 Ų447.1 Ų47.12%0.02125%0.251CS..THydrogen-bonded Turntrans-56.3-20.5174.9-81.4-59.8000114.4P687 A703 R712D683-P687 WeakPolarHBondContact O-CD 3.29Å; D683-A703 WeakPolarHBondContact OD2-CB 3.46Å; D683-R712 VanDerWaalsContact OD1-CG 3.27Å; D683-R712 WeakPolarHBondContact OD1-CG 3.42Å; D683-R712 IonicContact OD1-CZ 2.67Å; D683-R712 IonicContact OD1-NE 3.83Å; D683-R712 PolarHBondContact OD1-NE 3.45Å; D683-R712 IonicContact OD1-NH2 2.75Å; D683-R712 IonicContact OD2-CZ 3.49Å; D683-R712 IonicContact OD2-NE 3.82Å; D683-R712 PolarHBondContact OD2-NE 3.03Å; D683-R712 IonicContact OD2-NH2 3.91Å; D683-R712 PolarHBondContact OD2-NH2 2.86Å
684D91.4Very high84.5Confident95 Ų9542.2 Ų42.251%0.50823%0.228SC..THydrogen-bonded Turntrans-76.5-31-176.7-60.1-68.9000114.1T682 P687 R708T682-D684 PolarHBondContact O-N 3.45Å; T682-D684 VanDerWaalsContact O-N 3.07Å; D684-P687 WeakPolarHBondContact O-CD 3.47Å; D684-R708 IonicContact OD1-CZ 3.44Å; D684-R708 VanDerWaalsContact OD1-CZ 3.24Å; D684-R708 IonicContact OD1-NH1 3.5Å; D684-R708 PolarHBondContact OD1-NH1 3.49Å; D684-R708 IonicContact OD1-NH2 3.7Å; D684-R708 PolarHBondContact OD1-NH2 3.44Å; D684-R708 IonicContact OD2-NH2 2.74Å; D684-R708 PolarHBondContact OD2-NH2 3.41Å
685V92.2Very high85.5Confident2 Ų242.2 Ų42.21%0.01223%0.227CC..THydrogen-bonded Turntrans-84.6-27.5176.6-67.30000112.7C658 Y664 V681 T682 P687 R688 L689C658-V685 WeakPolarHBondContact O-CG2 3.37Å; Y664-V685 HydrophobicContact CE1-CB 4.08Å; Y664-V685 HydrophobicContact CE1-CG1 4.25Å; V681-V685 HydrophobicContact CB-CG2 3.8Å; V681-V685 HydrophobicContact CG1-CG2 4.32Å; T682-V685 VanDerWaalsContact O-CG2 3.29Å; T682-V685 WeakPolarHBondContact O-CG2 3.49Å; T682-V685 PolarHBondContact O-N 2.99Å; V685-P687 VanDerWaalsContact O-N 3.16Å; V685-R688 PolarHBondContact O-N 3.32Å; V685-R688 VanDerWaalsContact O-N 3.13Å; V685-L689 HydrophobicContact CB-CD1 4.45Å; V685-L689 HydrophobicContact CG2-CD1 4.39Å; V685-L689 WeakPolarHBondContact O-CB 3.36Å; V685-L689 PolarHBondContact O-N 3.48Å
686V91.9Very high87.1Confident2 Ų239.6 Ų39.61%0.01221%0.21CC..G310 helixtrans-44.7-46.4-177.7167.50000114.2V634 V681 R688 L689 N711 L715V634-V686 HydrophobicContact CG1-CG2 4.26Å; V634-V686 HydrophobicContact CG2-CG2 4.38Å; V681-V686 HydrophobicContact CG2-CG2 4.28Å; V686-R688 PolarHBondContact O-N 3.09Å; V686-L689 PolarHBondContact O-N 2.92Å; V686-N711 WeakPolarHBondContact CG1-O 3.26Å; V686-L715 HydrophobicContact CG1-CG 4.49Å
687P86.6Confident88.5Confident80 Ų8035.8 Ų35.852%0.51918%0.183SC..G310 helixtrans-62.5-16.9-174.8-20.131000115.5D683 D684 V685D683-P687 WeakPolarHBondContact O-CD 3.29Å; D684-P687 WeakPolarHBondContact O-CD 3.47Å; V685-P687 VanDerWaalsContact O-N 3.16Å
688R85.5Confident89.5Confident161 Ų16135.4 Ų35.461%0.60818%0.179SC*.G310 helixtrans-126.5-3-178.8-64.117674-165.44.8113.2E661 V685 V686E661-R688 WeakPolarHBondContact OE1-CD 3.25Å; E661-R688 IonicContact OE1-CZ 3.83Å; E661-R688 IonicContact OE1-NE 2.81Å; E661-R688 IonicContact OE1-NH1 2.81Å; E661-R688 PolarHBondContact OE1-NH1 3.02Å; E661-R688 IonicContact OE2-CZ 3.72Å; E661-R688 IonicContact OE2-NH1 3.25Å; E661-R688 PolarHBondContact OE2-NH1 3.16Å; V685-R688 PolarHBondContact O-N 3.32Å; V685-R688 VanDerWaalsContact O-N 3.13Å; V686-R688 PolarHBondContact O-N 3.09Å
689L88.1Confident89.9Confident17 Ų1735 Ų359%0.08918%0.176CC..  trans-65.6137-179.4-160.469.8000111.4Y664 V667 L679 V681 V685 V686 C691 L715Y664-L689 HydrophobicContact CD1-CD1 4.02Å; Y664-L689 HydrophobicContact CE1-CD1 3.97Å; V667-L689 HydrophobicContact CG2-CD1 3.72Å; L679-L689 HydrophobicContact CD2-CD2 4.47Å; V681-L689 HydrophobicContact CB-CD2 4.47Å; V681-L689 HydrophobicContact CG1-CD2 3.87Å; V681-L689 HydrophobicContact CG2-CD2 4.39Å; V685-L689 HydrophobicContact CB-CD1 4.45Å; V685-L689 HydrophobicContact CG2-CD1 4.39Å; V685-L689 WeakPolarHBondContact O-CB 3.36Å; V685-L689 PolarHBondContact O-N 3.48Å; V686-L689 PolarHBondContact O-N 2.92Å; L689-C691 WeakPolarHBondContact CD2-SG 3.4Å; L689-L715 HydrophobicContact CB-CD2 4.07Å; L689-L715 HydrophobicContact CD2-CD2 3.89Å; L689-L715 HydrophobicContact CG-CD2 4.38Å
690K84.9Confident90Very high185 Ų18535.3 Ų35.380%0.80418%0.178SC*.  trans-124.573.9-178.1-67.3-178.9-177.7176.50111.3G692K690-G692 PolarHBondContact O-N 2.66Å
691C81.6Confident89.9Confident4 Ų436.2 Ų36.23%0.02718%0.184CC..  trans-73.8-1.2-178.2-65.10000115.4V632 W670 L689 I694V632-C691 HydrophobicContact CG2-CB 4.23Å; W670-C691 HydrophobicContact CH2-CB 4.16Å; W670-C691 HydrophobicContact CZ3-CB 3.85Å; L689-C691 WeakPolarHBondContact CD2-SG 3.4Å; C691-I694 HydrophobicContact CB-CG2 3.67Å
692G83.4Confident89.7Confident39 Ų3937 Ų3740%0.40219%0.188SC..  trans64.7-149-164.700000110.7K690 A718K690-G692 PolarHBondContact O-N 2.66Å; G692-A718 VanDerWaalsContact C-CB 3.49Å; G692-A718 WeakPolarHBondContact O-CB 3.11Å
693K84.9Confident89.5Confident104 Ų10437 Ų3745%0.45219%0.189SC..  trans-81.1132.8178-66.6-173.2176.7-179.30111.1A718 N719 S722K693-A718 HydrophobicContact CG-CB 4.32Å; K693-N719 VanDerWaalsContact CA-OD1 3.25Å; K693-N719 WeakPolarHBondContact CA-OD1 3.42Å; K693-S722 VanDerWaalsContact NZ-CB 3.32Å; K693-S722 PolarHBondContact NZ-OG 3.03Å
694I86.6Confident89.2Confident0 Ų041.7 Ų41.70%022%0.222CC..  trans-124.8108.4-179.254.1140.5000111.8V632 W670 C691 L696 L697 L715 F716 N719V632-I694 HydrophobicContact CG2-CB 4.48Å; V632-I694 HydrophobicContact CG2-CG2 3.69Å; W670-I694 HydrophobicContact CH2-CG2 4.26Å; C691-I694 HydrophobicContact CB-CG2 3.67Å; I694-L696 VanDerWaalsContact C-N 3.28Å; I694-L696 PolarHBondContact O-N 2.64Å; I694-L697 HydrophobicContact CD1-CB 4.17Å; I694-L697 HydrophobicContact CD1-CD1 4.37Å; I694-L715 HydrophobicContact CD1-CB 3.58Å; I694-L715 HydrophobicContact CG1-CB 4.26Å; I694-F716 HydrophobicContact CD1-CD1 4.08Å; I694-F716 HydrophobicContact CD1-CE1 3.98Å; I694-F716 HydrophobicContact CD1-CZ 4.47Å; I694-F716 HydrophobicContact CG1-CD1 4.12Å; I694-F716 HydrophobicContact CG1-CE1 4.32Å; I694-F716 WeakPolarHBondContact O-CE1 3.43Å; I694-N719 PolarHBondContact N-OD1 3.39Å; I694-N719 PolarHBondContact O-ND2 2.79Å
695P85.8Confident89.2Confident26 Ų2642.6 Ų42.617%0.16922%0.224CC..SBendtrans-68.9-21.3177.824.7-34.1000114.1E629 P630 G729 Q730E629-P695 HydrophobicContact CB-CG 3.63Å; E629-P695 HydrophobicContact CG-CB 4.48Å; E629-P695 HydrophobicContact CG-CG 3.9Å; P630-P695 VanDerWaalsContact O-CD 3.26Å; P630-P695 WeakPolarHBondContact O-CD 3.35Å; P630-P695 WeakPolarHBondContact O-CG 3.14Å; P695-G729 CarbonylContact O-C 3.56Å; P695-G729 WeakPolarHBondContact O-CA 3.44Å; P695-Q730 PolarHBondContact O-N 3.14Å
696L89.2Confident89.2Confident9 Ų945.1 Ų45.15%0.04723%0.233CC..EExtended strand (participates in β ladder)trans-135.7128.5-178.5-178.659.9000112.4R623 A631 V632 I694 I698 Q730 V732R623-L696 HydrophobicContact CG-CD2 4.24Å; A631-L696 HydrophobicContact CB-CB 4.19Å; A631-L696 HydrophobicContact CB-CD2 4.18Å; A631-L696 HydrophobicContact CB-CG 4.36Å; V632-L696 PolarHBondContact N-O 2.76Å; V632-L696 VanDerWaalsContact N-O 3.09Å; I694-L696 VanDerWaalsContact C-N 3.28Å; I694-L696 PolarHBondContact O-N 2.64Å; L696-I698 HydrophobicContact CD1-CG1 4.24Å; L696-I698 HydrophobicContact CD2-CD1 4.08Å; L696-I698 HydrophobicContact CD2-CG1 4.23Å; L696-I698 HydrophobicContact CG-CD1 4.38Å; L696-I698 HydrophobicContact CG-CG1 3.99Å; L696-Q730 WeakPolarHBondContact CA-O 3.25Å; L696-Q730 HydrophobicContact CD1-CB 4.17Å; L696-Q730 HydrophobicContact CD1-CG 4.36Å; L696-V732 HydrophobicContact CD1-CG2 3.84Å
697L94.1Very high89.1Confident0 Ų048.3 Ų48.30%026%0.26CS..EExtended strand (participates in β ladder)trans-118.1123.1170.2-177.961.8000109.7V632 V634 I694 H699 R712 L715 F716 Q730 S731 V732V632-L697 HydrophobicContact CB-CD1 4.25Å; V632-L697 HydrophobicContact CG1-CD1 4.33Å; V632-L697 CarbonylContact O-C 3.31Å; V632-L697 WeakPolarHBondContact O-CA 3.34Å; V634-L697 HydrophobicContact CG2-CD1 3.88Å; I694-L697 HydrophobicContact CD1-CB 4.17Å; I694-L697 HydrophobicContact CD1-CD1 4.37Å; L697-H699 WeakPolarHBondContact CD2-NE2 3.01Å; L697-R712 HydrophobicContact CD2-CB 4.37Å; L697-R712 WeakPolarHBondContact CD2-O 3.43Å; L697-L715 HydrophobicContact CD1-CD1 3.71Å; L697-F716 HydrophobicContact CB-CE1 4.25Å; L697-F716 HydrophobicContact CB-CE2 3.82Å; L697-F716 HydrophobicContact CB-CZ 3.42Å; L697-F716 VanDerWaalsContact CB-CZ 3.42Å; L697-F716 HydrophobicContact CD2-CD2 4.31Å; L697-F716 HydrophobicContact CD2-CE2 3.62Å; L697-F716 HydrophobicContact CD2-CZ 4.14Å; L697-F716 HydrophobicContact CG-CE2 4.38Å; L697-F716 HydrophobicContact CG-CZ 4.44Å; L697-Q730 PolarHBondContact N-O 2.86Å; L697-S731 CarbonylContact O-C 3.55Å; L697-S731 WeakPolarHBondContact O-CA 3.5Å; L697-V732 PolarHBondContact O-N 3.49Å
698I94.8Very high89.4Confident2 Ų247.7 Ų47.71%0.0125%0.247CC..EExtended strand (participates in β ladder)trans-110.7125.9178.2-53.4173.5000109.6L616 V632 M633 V634 L696 V732 F734L616-I698 HydrophobicContact CD1-CD1 3.88Å; V632-I698 PolarHBondContact O-N 3.22Å; M633-I698 CarbonylContact C-O 3.57Å; M633-I698 VanDerWaalsContact CA-O 3.27Å; M633-I698 WeakPolarHBondContact CA-O 3.26Å; M633-I698 HydrophobicContact CB-CB 4.2Å; M633-I698 HydrophobicContact CE-CB 4.11Å; M633-I698 HydrophobicContact CE-CD1 3.78Å; M633-I698 HydrophobicContact CE-CG2 3.94Å; M633-I698 HydrophobicContact CG-CB 4.08Å; M633-I698 HydrophobicContact CG-CG2 4.27Å; V634-I698 PolarHBondContact N-O 3.08Å; L696-I698 HydrophobicContact CD1-CG1 4.24Å; L696-I698 HydrophobicContact CD2-CD1 4.08Å; L696-I698 HydrophobicContact CD2-CG1 4.23Å; L696-I698 HydrophobicContact CG-CD1 4.38Å; L696-I698 HydrophobicContact CG-CG1 3.99Å; I698-V732 CarbonylContact C-O 3.57Å; I698-V732 WeakPolarHBondContact CA-O 3.38Å; I698-F734 HydrophobicContact CG2-CE2 4.48Å; I698-F734 HydrophobicContact CG2-CZ 4.4Å
699H95.9Very high89.9Confident0 Ų040 Ų400%022%0.218CC..EExtended strand (participates in β ladder)trans-100.190.3174.6-55.4-128.8000106.9L697 S701 F709 R712 F713 S731 V732 V733 F734L697-H699 WeakPolarHBondContact CD2-NE2 3.01Å; H699-S701 VanDerWaalsContact C-N 3.3Å; H699-S701 PolarHBondContact O-N 2.81Å; H699-F709 HydrophobicContact CB-CE2 4.3Å; H699-F709 AromaticContact CE1-CE2 3.87Å; H699-F709 AromaticContact CG-CE2 3.98Å; H699-F709 AromaticContact ND1-CD2 3.67Å; H699-F709 AromaticContact ND1-CE2 3.19Å; H699-F709 WeakPolarHBondContact ND1-CE2 3.38Å; H699-F709 AromaticContact ND1-CZ 3.81Å; H699-R712 VanDerWaalsContact ND1-CD 3.34Å; H699-R712 WeakPolarHBondContact ND1-CD 3.43Å; H699-F713 AromaticContact CE1-CE2 3.4Å; H699-F713 VanDerWaalsContact CE1-CE2 3.4Å; H699-F713 WeakPolarHBondContact CE1-CE2 3.44Å; H699-F713 AromaticContact CE1-CZ 3.73Å; H699-F713 AromaticContact NE2-CE2 3.91Å; H699-F713 AromaticContact NE2-CZ 3.78Å; H699-S731 PolarHBondContact CD2-OG 3.1Å; H699-S731 PolarHBondContact NE2-OG 3.19Å; H699-V732 PolarHBondContact N-O 2.82Å; H699-V733 HydrophobicContact CB-CB 4.43Å; H699-V733 HydrophobicContact CB-CG1 4.27Å; H699-V733 HydrophobicContact CB-CG2 4.27Å; H699-F734 PolarHBondContact O-N 3.31Å
700Y94.6Very high90.2Very high7 Ų740.3 Ų40.33%0.02722%0.219CC..SBendtrans-67.4-32.8-171.8-173.7-89000113E609 K612 L616 M633 V634 E640 L644 F734E609-Y700 VanDerWaalsContact OE2-CE1 3.26Å; E609-Y700 WeakPolarHBondContact OE2-CE1 3.21Å; E609-Y700 VanDerWaalsContact OE2-CZ 3.31Å; E609-Y700 PolarHBondContact OE2-OH 2.83Å; K612-Y700 HydrophobicContact CB-CE2 4.12Å; K612-Y700 HydrophobicContact CD-CD1 4.48Å; K612-Y700 HydrophobicContact CD-CE1 3.85Å; K612-Y700 HydrophobicContact CD-CE2 4.05Å; K612-Y700 WeakPolarHBondContact CE-O 3.07Å; K612-Y700 PolarHBondContact NZ-O 3.12Å; L616-Y700 HydrophobicContact CD2-CE2 4.4Å; M633-Y700 HydrophobicContact CE-CD2 4.47Å; M633-Y700 HydrophobicContact SD-CD2 3.95Å; M633-Y700 HydrophobicContact SD-CG 4.27Å; V634-Y700 PolarHBondContact O-N 3.4Å; V634-Y700 VanDerWaalsContact O-N 3.16Å; E640-Y700 HydrophobicContact CG-CD1 4.37Å; E640-Y700 WeakPolarHBondContact OE1-CD1 3.34Å; L644-Y700 HydrophobicContact CD1-CD2 4.36Å; L644-Y700 HydrophobicContact CD1-CE2 3.71Å; L644-Y700 HydrophobicContact CD2-CD1 3.96Å; L644-Y700 HydrophobicContact CD2-CD2 3.51Å; L644-Y700 HydrophobicContact CD2-CE1 4.14Å; L644-Y700 HydrophobicContact CD2-CE2 3.69Å; L644-Y700 HydrophobicContact CD2-CG 3.66Å; L644-Y700 HydrophobicContact CG-CE2 4.38Å; Y700-F734 AromaticContact CD2-CD2 3.91Å; Y700-F734 HydrophobicContact CD2-CD2 3.91Å; Y700-F734 HydrophobicContact CD2-CE2 4.04Å; Y700-F734 HydrophobicContact CE2-CD2 4.26Å; Y700-F734 HydrophobicContact CE2-CE2 4.27Å
701S92Very high90.6Very high20 Ų2033.7 Ų33.714%0.1419%0.192CC..SBendtrans-144.6154168.9-69.40000108.4K612 E640 H699 R712K612-S701 PolarHBondContact NZ-OG 2.67Å; K612-S701 VanDerWaalsContact NZ-OG 3.15Å; E640-S701 WeakPolarHBondContact OE1-CB 3.3Å; E640-S701 PolarHBondContact OE1-OG 3.06Å; H699-S701 VanDerWaalsContact C-N 3.3Å; H699-S701 PolarHBondContact O-N 2.81Å; S701-R712 PolarHBondContact O-NH1 3.24Å; S701-R712 PolarHBondContact O-NH2 3.32Å; S701-R712 VanDerWaalsContact O-NH2 3.15Å
702F91.8Very high91.2Very high16 Ų1633.5 Ų33.57%0.0719%0.191CC..  trans-60.5162177.5-77-75000112.9F709 R712 V733 A735 D739 N742 L746F702-F709 AromaticContact CD1-CD2 3.75Å; F702-F709 HydrophobicContact CD1-CD2 3.75Å; F702-F709 AromaticContact CD1-CE2 3.74Å; F702-F709 HydrophobicContact CD1-CE2 3.74Å; F702-F709 HydrophobicContact CE1-CD2 4.26Å; F702-F709 AromaticContact CE1-CE2 3.83Å; F702-F709 HydrophobicContact CE1-CE2 3.83Å; F702-F709 HydrophobicContact CE1-CZ 4.26Å; F702-R712 PolarHBondContact O-NH2 3.23Å; F702-V733 HydrophobicContact CE1-CG1 3.79Å; F702-V733 HydrophobicContact CZ-CG1 3.79Å; F702-A735 HydrophobicContact CE2-CB 3.56Å; F702-A735 HydrophobicContact CZ-CB 3.85Å; F702-D739 HydrophobicContact CD2-CB 3.82Å; F702-D739 VanDerWaalsContact CD2-OD2 3.27Å; F702-D739 WeakPolarHBondContact CD2-OD2 3.45Å; F702-D739 HydrophobicContact CE2-CB 3.67Å; F702-D739 WeakPolarHBondContact CE2-OD2 3.27Å; F702-N742 HydrophobicContact CD1-CB 3.68Å; F702-N742 HydrophobicContact CD2-CB 3.9Å; F702-N742 HydrophobicContact CE1-CB 3.64Å; F702-N742 HydrophobicContact CE2-CB 3.84Å; F702-N742 HydrophobicContact CG-CB 3.82Å; F702-N742 HydrophobicContact CZ-CB 3.72Å; F702-L746 HydrophobicContact CE1-CD1 3.83Å; F702-L746 HydrophobicContact CZ-CD1 3.69Å
703A90.8Very high91.7Very high5 Ų531.8 Ų31.84%0.04117%0.173CC..  trans-82.1153.3168.900000109.9D683 M705 R708 F709D683-A703 WeakPolarHBondContact OD2-CB 3.46Å; A703-M705 PolarHBondContact O-N 3.29Å; A703-M705 VanDerWaalsContact O-N 3.08Å; A703-R708 HydrophobicContact CB-CB 3.82Å; A703-F709 HydrophobicContact CB-CB 3.91Å
704S87.1Confident92.1Very high102 Ų10227.7 Ų27.771%0.71316%0.157SC*.SBendtrans-59.6-18.817554.80000114.5
705M90.6Very high92.4Very high113 Ų11328.1 Ų28.156%0.55716%0.159SC*.SBendtrans-140.3140.6177-68.3-174.1-78.600111.1A703 A707 R708 F709A703-M705 PolarHBondContact O-N 3.29Å; A703-M705 VanDerWaalsContact O-N 3.08Å; M705-A707 PolarHBondContact O-N 3.1Å; M705-A707 VanDerWaalsContact O-N 3.16Å; M705-R708 HydrophobicContact CE-CG 4.36Å; M705-R708 PolarHBondContact O-N 3.37Å; M705-F709 PolarHBondContact O-N 3.02Å
706W92.3Very high92.7Very high56 Ų5626.9 Ų26.921%0.21215%0.151CC..Hα-helixtrans-55-34.4176.5-174.6-123.9000113.1L591 F709 K710 K745 L746L591-W706 HydrophobicContact CD2-CH2 4.41Å; L591-W706 HydrophobicContact CD2-CZ2 4.16Å; W706-F709 HydrophobicContact CE3-CB 4.26Å; W706-F709 AromaticContact CE3-CD1 3.65Å; W706-F709 HydrophobicContact CE3-CD1 3.65Å; W706-F709 HydrophobicContact CE3-CE1 4.35Å; W706-F709 HydrophobicContact CE3-CG 4.16Å; W706-F709 AromaticContact CH2-CD1 3.87Å; W706-F709 HydrophobicContact CH2-CD1 3.87Å; W706-F709 AromaticContact CH2-CE1 3.82Å; W706-F709 HydrophobicContact CH2-CE1 3.82Å; W706-F709 AromaticContact CZ3-CD1 3.28Å; W706-F709 HydrophobicContact CZ3-CD1 3.28Å; W706-F709 AromaticContact CZ3-CE1 3.52Å; W706-F709 HydrophobicContact CZ3-CE1 3.52Å; W706-F709 HydrophobicContact CZ3-CG 4.09Å; W706-F709 HydrophobicContact CZ3-CZ 4.45Å; W706-F709 PolarHBondContact O-N 3.45Å; W706-K710 HydrophobicContact CD2-CG 4.33Å; W706-K710 HydrophobicContact CZ2-CD 4.24Å; W706-K710 HydrophobicContact CZ2-CG 4.25Å; W706-K710 WeakPolarHBondContact O-CG 3.49Å; W706-K710 PolarHBondContact O-N 3.26Å; W706-K745 HydrophobicContact CB-CD 4.06Å; W706-K745 HydrophobicContact CD2-CB 4.02Å; W706-K745 HydrophobicContact CD2-CD 4.07Å; W706-K745 HydrophobicContact CE3-CB 3.95Å; W706-K745 HydrophobicContact CE3-CD 4.27Å; W706-K745 HydrophobicContact CG-CD 3.97Å; W706-K745 HydrophobicContact CH2-CB 4.07Å; W706-K745 HydrophobicContact CZ2-CB 4.11Å; W706-K745 HydrophobicContact CZ3-CB 3.98Å; W706-L746 HydrophobicContact CH2-CD2 4.08Å; W706-L746 HydrophobicContact CH2-CG 4.34Å; W706-L746 HydrophobicContact CZ3-CD2 4.43Å; W706-L746 HydrophobicContact CZ3-CG 4.42Å
707A90.9Very high92.7Very high69 Ų6926.9 Ų26.957%0.5715%0.151SC*.Hα-helixtrans-63.4-40.4174.500000112.9M705 N711M705-A707 PolarHBondContact O-N 3.1Å; M705-A707 VanDerWaalsContact O-N 3.16Å; A707-N711 WeakPolarHBondContact O-CB 3.31Å; A707-N711 PolarHBondContact O-N 3.37Å
708R92.9Very high92.3Very high66 Ų6628 Ų2825%0.24916%0.16CC..Hα-helixtrans-68.7-43.2174.9-74.6172.966.3115.7-14.4110.8D684 A703 M705 K710 N711 R712D684-R708 IonicContact OD1-CZ 3.44Å; D684-R708 VanDerWaalsContact OD1-CZ 3.24Å; D684-R708 IonicContact OD1-NH1 3.5Å; D684-R708 PolarHBondContact OD1-NH1 3.49Å; D684-R708 IonicContact OD1-NH2 3.7Å; D684-R708 PolarHBondContact OD1-NH2 3.44Å; D684-R708 IonicContact OD2-NH2 2.74Å; D684-R708 PolarHBondContact OD2-NH2 3.41Å; A703-R708 HydrophobicContact CB-CB 3.82Å; M705-R708 HydrophobicContact CE-CG 4.36Å; M705-R708 PolarHBondContact O-N 3.37Å; R708-K710 PolarHBondContact O-N 2.98Å; R708-N711 WeakPolarHBondContact O-CB 3.39Å; R708-N711 PolarHBondContact O-N 3.13Å; R708-R712 PolarHBondContact O-N 3.34Å
709F95.3Very high91.8Very high1 Ų128.4 Ų28.40%0.00416%0.162CC..Hα-helixtrans-55.9-48.5174.7177-92.7000112.2H699 F702 A703 M705 W706 N711 R712 F713 V733 L746H699-F709 HydrophobicContact CB-CE2 4.3Å; H699-F709 AromaticContact CE1-CE2 3.87Å; H699-F709 AromaticContact CG-CE2 3.98Å; H699-F709 AromaticContact ND1-CD2 3.67Å; H699-F709 AromaticContact ND1-CE2 3.19Å; H699-F709 WeakPolarHBondContact ND1-CE2 3.38Å; H699-F709 AromaticContact ND1-CZ 3.81Å; F702-F709 AromaticContact CD1-CD2 3.75Å; F702-F709 HydrophobicContact CD1-CD2 3.75Å; F702-F709 AromaticContact CD1-CE2 3.74Å; F702-F709 HydrophobicContact CD1-CE2 3.74Å; F702-F709 HydrophobicContact CE1-CD2 4.26Å; F702-F709 AromaticContact CE1-CE2 3.83Å; F702-F709 HydrophobicContact CE1-CE2 3.83Å; F702-F709 HydrophobicContact CE1-CZ 4.26Å; A703-F709 HydrophobicContact CB-CB 3.91Å; M705-F709 PolarHBondContact O-N 3.02Å; W706-F709 HydrophobicContact CE3-CB 4.26Å; W706-F709 AromaticContact CE3-CD1 3.65Å; W706-F709 HydrophobicContact CE3-CD1 3.65Å; W706-F709 HydrophobicContact CE3-CE1 4.35Å; W706-F709 HydrophobicContact CE3-CG 4.16Å; W706-F709 AromaticContact CH2-CD1 3.87Å; W706-F709 HydrophobicContact CH2-CD1 3.87Å; W706-F709 AromaticContact CH2-CE1 3.82Å; W706-F709 HydrophobicContact CH2-CE1 3.82Å; W706-F709 AromaticContact CZ3-CD1 3.28Å; W706-F709 HydrophobicContact CZ3-CD1 3.28Å; W706-F709 AromaticContact CZ3-CE1 3.52Å; W706-F709 HydrophobicContact CZ3-CE1 3.52Å; W706-F709 HydrophobicContact CZ3-CG 4.09Å; W706-F709 HydrophobicContact CZ3-CZ 4.45Å; W706-F709 PolarHBondContact O-N 3.45Å; F709-N711 VanDerWaalsContact C-N 3.32Å; F709-N711 PolarHBondContact O-N 2.97Å; F709-R712 VanDerWaalsContact O-CB 3.3Å; F709-R712 WeakPolarHBondContact O-CB 3.15Å; F709-R712 PolarHBondContact O-N 3.08Å; F709-F713 HydrophobicContact CD1-CE2 4.36Å; F709-F713 AromaticContact CE1-CE2 3.81Å; F709-F713 HydrophobicContact CE1-CE2 3.81Å; F709-F713 HydrophobicContact CE1-CZ 4.46Å; F709-F713 HydrophobicContact CZ-CE2 4.1Å; F709-F713 HydrophobicContact CZ-CZ 4.5Å; F709-V733 HydrophobicContact CE2-CG1 4.23Å; F709-V733 HydrophobicContact CE2-CG2 4.24Å; F709-V733 HydrophobicContact CZ-CG1 4.46Å; F709-V733 HydrophobicContact CZ-CG2 3.91Å; F709-L746 HydrophobicContact CE1-CD2 4.25Å; F709-L746 HydrophobicContact CZ-CD2 4.25Å
710K94.6Very high91.1Very high22 Ų2229.4 Ų29.410%0.09617%0.167CC..Hα-helixtrans-63-37.3175.6-69-166.4-65.3175.50112.2N407 D589 L591 W706 R708 R712 F713N407-K710 PolarHBondContact OD1-NZ 2.96Å; D589-K710 VanDerWaalsContact OD2-CE 3.23Å; D589-K710 WeakPolarHBondContact OD2-CE 3.28Å; D589-K710 IonicContact OD2-NZ 2.72Å; D589-K710 PolarHBondContact OD2-NZ 3Å; L591-K710 HydrophobicContact CB-CB 4.08Å; L591-K710 HydrophobicContact CB-CD 4.13Å; L591-K710 HydrophobicContact CB-CG 3.93Å; L591-K710 HydrophobicContact CD2-CD 3.96Å; L591-K710 HydrophobicContact CD2-CG 3.79Å; W706-K710 HydrophobicContact CD2-CG 4.33Å; W706-K710 HydrophobicContact CZ2-CD 4.24Å; W706-K710 HydrophobicContact CZ2-CG 4.25Å; W706-K710 WeakPolarHBondContact O-CG 3.49Å; W706-K710 PolarHBondContact O-N 3.26Å; R708-K710 PolarHBondContact O-N 2.98Å; K710-R712 PolarHBondContact O-N 2.72Å; K710-F713 WeakPolarHBondContact O-CB 3.42Å; K710-F713 WeakPolarHBondContact O-CD2 3.28Å; K710-F713 PolarHBondContact O-N 3.23Å; K710-F713 VanDerWaalsContact O-N 3.16Å
711N93.2Very high89.9Confident47 Ų4733.4 Ų33.425%0.25119%0.185SC..Hα-helixtrans-64.3-22.9177.3-169.762.8000113.9V686 A707 R708 F709 F713 S714V686-N711 WeakPolarHBondContact CG1-O 3.26Å; A707-N711 WeakPolarHBondContact O-CB 3.31Å; A707-N711 PolarHBondContact O-N 3.37Å; R708-N711 WeakPolarHBondContact O-CB 3.39Å; R708-N711 PolarHBondContact O-N 3.13Å; F709-N711 VanDerWaalsContact C-N 3.32Å; F709-N711 PolarHBondContact O-N 2.97Å; N711-F713 PolarHBondContact O-N 3.28Å; N711-S714 VanDerWaalsContact O-CB 3.26Å; N711-S714 WeakPolarHBondContact O-CB 3.32Å; N711-S714 PolarHBondContact O-N 3.31Å; N711-S714 PolarHBondContact O-OG 3.44Å
712R95.1Very high88.3Confident0 Ų034.5 Ų34.50%019%0.192CC..G310 helixtrans-55.4-32.1171.8-61.8178.4177.3-169.50.8113V634 D683 L697 H699 S701 F702 R708 F709 K710 S714 L715V634-R712 HydrophobicContact CB-CG 4.35Å; V634-R712 HydrophobicContact CG1-CG 4.09Å; V634-R712 VanDerWaalsContact CG1-NE 3.34Å; V634-R712 HydrophobicContact CG2-CB 4.42Å; V634-R712 HydrophobicContact CG2-CG 4.18Å; V634-R712 PolarHBondContact O-NH1 3Å; D683-R712 VanDerWaalsContact OD1-CG 3.27Å; D683-R712 WeakPolarHBondContact OD1-CG 3.42Å; D683-R712 IonicContact OD1-CZ 2.67Å; D683-R712 IonicContact OD1-NE 3.83Å; D683-R712 PolarHBondContact OD1-NE 3.45Å; D683-R712 IonicContact OD1-NH2 2.75Å; D683-R712 IonicContact OD2-CZ 3.49Å; D683-R712 IonicContact OD2-NE 3.82Å; D683-R712 PolarHBondContact OD2-NE 3.03Å; D683-R712 IonicContact OD2-NH2 3.91Å; D683-R712 PolarHBondContact OD2-NH2 2.86Å; L697-R712 HydrophobicContact CD2-CB 4.37Å; L697-R712 WeakPolarHBondContact CD2-O 3.43Å; H699-R712 VanDerWaalsContact ND1-CD 3.34Å; H699-R712 WeakPolarHBondContact ND1-CD 3.43Å; S701-R712 PolarHBondContact O-NH1 3.24Å; S701-R712 PolarHBondContact O-NH2 3.32Å; S701-R712 VanDerWaalsContact O-NH2 3.15Å; F702-R712 PolarHBondContact O-NH2 3.23Å; R708-R712 PolarHBondContact O-N 3.34Å; F709-R712 VanDerWaalsContact O-CB 3.3Å; F709-R712 WeakPolarHBondContact O-CB 3.15Å; F709-R712 PolarHBondContact O-N 3.08Å; K710-R712 PolarHBondContact O-N 2.72Å; R712-S714 PolarHBondContact O-N 3.22Å; R712-L715 WeakPolarHBondContact O-CG 3.29Å; R712-L715 PolarHBondContact O-N 3.15Å
713F94.4Very high86.4Confident3 Ų337.6 Ų37.61%0.01321%0.214CC..G310 helixtrans-69.8-12.1178.6-69.5-96.8000113.6A590 L591 L601 H699 F709 K710 N711 L715 F716 S731A590-F713 HydrophobicContact CB-CB 4.06Å; A590-F713 WeakPolarHBondContact O-CB 3.43Å; L591-F713 HydrophobicContact CB-CD2 4.22Å; L591-F713 HydrophobicContact CB-CG 4.37Å; L591-F713 HydrophobicContact CD1-CD1 3.89Å; L591-F713 HydrophobicContact CD1-CD2 3.99Å; L591-F713 HydrophobicContact CD1-CE1 3.69Å; L591-F713 HydrophobicContact CD1-CE2 3.8Å; L591-F713 HydrophobicContact CD1-CG 4.05Å; L591-F713 HydrophobicContact CD1-CZ 3.66Å; L601-F713 HydrophobicContact CD1-CZ 4.25Å; H699-F713 AromaticContact CE1-CE2 3.4Å; H699-F713 VanDerWaalsContact CE1-CE2 3.4Å; H699-F713 WeakPolarHBondContact CE1-CE2 3.44Å; H699-F713 AromaticContact CE1-CZ 3.73Å; H699-F713 AromaticContact NE2-CE2 3.91Å; H699-F713 AromaticContact NE2-CZ 3.78Å; F709-F713 HydrophobicContact CD1-CE2 4.36Å; F709-F713 AromaticContact CE1-CE2 3.81Å; F709-F713 HydrophobicContact CE1-CE2 3.81Å; F709-F713 HydrophobicContact CE1-CZ 4.46Å; F709-F713 HydrophobicContact CZ-CE2 4.1Å; F709-F713 HydrophobicContact CZ-CZ 4.5Å; K710-F713 WeakPolarHBondContact O-CB 3.42Å; K710-F713 WeakPolarHBondContact O-CD2 3.28Å; K710-F713 PolarHBondContact O-N 3.23Å; K710-F713 VanDerWaalsContact O-N 3.16Å; N711-F713 PolarHBondContact O-N 3.28Å; F713-L715 PolarHBondContact O-N 3.04Å; F713-L715 VanDerWaalsContact O-N 3.14Å; F713-F716 HydrophobicContact CB-CD2 4.43Å; F713-F716 HydrophobicContact CD1-CD2 4.04Å; F713-F716 AromaticContact CD1-CE2 3.93Å; F713-F716 HydrophobicContact CD1-CE2 3.93Å; F713-F716 HydrophobicContact CE1-CE2 4.4Å; F713-F716 WeakPolarHBondContact O-CB 3.4Å; F713-F716 PolarHBondContact O-N 2.89Å; F713-S731 WeakPolarHBondContact CE1-OG 3.27Å; F713-S731 WeakPolarHBondContact CZ-OG 3.47Å
714S93.3Very high84.5Confident18 Ų1840.5 Ų40.513%0.12623%0.231CC..G310 helixtrans-62.1-20.6174.964.20000113N711 R712 F716 Y717N711-S714 VanDerWaalsContact O-CB 3.26Å; N711-S714 WeakPolarHBondContact O-CB 3.32Å; N711-S714 PolarHBondContact O-N 3.31Å; N711-S714 PolarHBondContact O-OG 3.44Å; R712-S714 PolarHBondContact O-N 3.22Å; S714-F716 PolarHBondContact O-N 3.36Å; S714-Y717 WeakPolarHBondContact O-CB 3.16Å; S714-Y717 WeakPolarHBondContact O-CD2 3.26Å; S714-Y717 PolarHBondContact O-N 3.47Å
715L92.4Very high82.6Confident9 Ų942.2 Ų42.25%0.04724%0.238CC..G310 helixtrans-61.1-27.9173.2-59.6174.5000112.3V632 V634 V686 L689 I694 L697 R712 F713 Y717V632-L715 HydrophobicContact CG1-CD1 3.93Å; V634-L715 HydrophobicContact CG2-CD1 4.43Å; V686-L715 HydrophobicContact CG1-CG 4.49Å; L689-L715 HydrophobicContact CB-CD2 4.07Å; L689-L715 HydrophobicContact CD2-CD2 3.89Å; L689-L715 HydrophobicContact CG-CD2 4.38Å; I694-L715 HydrophobicContact CD1-CB 3.58Å; I694-L715 HydrophobicContact CG1-CB 4.26Å; L697-L715 HydrophobicContact CD1-CD1 3.71Å; R712-L715 WeakPolarHBondContact O-CG 3.29Å; R712-L715 PolarHBondContact O-N 3.15Å; F713-L715 PolarHBondContact O-N 3.04Å; F713-L715 VanDerWaalsContact O-N 3.14Å; L715-Y717 VanDerWaalsContact C-N 3.28Å; L715-Y717 PolarHBondContact O-N 3.14Å
716F91.1Very high80.8Confident0 Ų046.5 Ų46.50%025%0.248CC..G310 helixtrans-75.2-9.4174.3-66.1-63.5000114.2V599 I694 L697 F713 S714 A718 N719 L720V599-F716 HydrophobicContact CG1-CD2 3.98Å; V599-F716 HydrophobicContact CG1-CE1 4.19Å; V599-F716 HydrophobicContact CG1-CE2 3.59Å; V599-F716 HydrophobicContact CG1-CG 4.43Å; V599-F716 HydrophobicContact CG1-CZ 3.7Å; V599-F716 HydrophobicContact CG2-CB 4.3Å; V599-F716 HydrophobicContact CG2-CD1 4.33Å; V599-F716 HydrophobicContact CG2-CD2 4.19Å; V599-F716 HydrophobicContact CG2-CG 4.04Å; I694-F716 HydrophobicContact CD1-CD1 4.08Å; I694-F716 HydrophobicContact CD1-CE1 3.98Å; I694-F716 HydrophobicContact CD1-CZ 4.47Å; I694-F716 HydrophobicContact CG1-CD1 4.12Å; I694-F716 HydrophobicContact CG1-CE1 4.32Å; I694-F716 WeakPolarHBondContact O-CE1 3.43Å; L697-F716 HydrophobicContact CB-CE1 4.25Å; L697-F716 HydrophobicContact CB-CE2 3.82Å; L697-F716 HydrophobicContact CB-CZ 3.42Å; L697-F716 VanDerWaalsContact CB-CZ 3.42Å; L697-F716 HydrophobicContact CD2-CD2 4.31Å; L697-F716 HydrophobicContact CD2-CE2 3.62Å; L697-F716 HydrophobicContact CD2-CZ 4.14Å; L697-F716 HydrophobicContact CG-CE2 4.38Å; L697-F716 HydrophobicContact CG-CZ 4.44Å; F713-F716 HydrophobicContact CB-CD2 4.43Å; F713-F716 HydrophobicContact CD1-CD2 4.04Å; F713-F716 AromaticContact CD1-CE2 3.93Å; F713-F716 HydrophobicContact CD1-CE2 3.93Å; F713-F716 HydrophobicContact CE1-CE2 4.4Å; F713-F716 WeakPolarHBondContact O-CB 3.4Å; F713-F716 PolarHBondContact O-N 2.89Å; S714-F716 PolarHBondContact O-N 3.36Å; F716-A718 PolarHBondContact O-N 3.47Å; F716-N719 WeakPolarHBondContact O-CB 3.18Å; F716-N719 PolarHBondContact O-N 2.9Å; F716-L720 WeakPolarHBondContact O-CG 3.44Å; F716-L720 PolarHBondContact O-N 3.35Å
717Y89.9Confident79.1Confident9 Ų947.5 Ų47.54%0.03526%0.262CS..G310 helixtrans-58-23.1-178.3-71.6-6.4000114.1N343 G346 L348 A590 A593 S714 L715 L720 K721N343-Y717 HydrophobicContact CB-CD2 3.92Å; N343-Y717 HydrophobicContact CB-CG 4.26Å; G346-Y717 VanDerWaalsContact O-CE2 3.3Å; G346-Y717 WeakPolarHBondContact O-CE2 3.27Å; G346-Y717 PolarHBondContact O-OH 2.85Å; L348-Y717 HydrophobicContact CB-CD1 3.98Å; L348-Y717 HydrophobicContact CB-CE1 3.72Å; L348-Y717 HydrophobicContact CB-CE2 4.36Å; L348-Y717 HydrophobicContact CB-CG 4.39Å; L348-Y717 HydrophobicContact CD1-CD1 3.95Å; L348-Y717 HydrophobicContact CD1-CG 3.99Å; L348-Y717 HydrophobicContact CG-CD1 4.4Å; A590-Y717 HydrophobicContact CB-CE1 3.69Å; A590-Y717 WeakPolarHBondContact CB-OH 3.35Å; A593-Y717 HydrophobicContact CB-CE1 3.92Å; S714-Y717 WeakPolarHBondContact O-CB 3.16Å; S714-Y717 WeakPolarHBondContact O-CD2 3.26Å; S714-Y717 PolarHBondContact O-N 3.47Å; L715-Y717 VanDerWaalsContact C-N 3.28Å; L715-Y717 PolarHBondContact O-N 3.14Å; Y717-L720 HydrophobicContact CD1-CD1 4.32Å; Y717-K721 WeakPolarHBondContact O-CG 3.33Å
718A86.1Confident78.2Confident23 Ų2345.1 Ų45.119%0.1924%0.24CC..G310 helixtrans-76.4-32.517400000113G692 K693 F716 L720 K721G692-A718 VanDerWaalsContact C-CB 3.49Å; G692-A718 WeakPolarHBondContact O-CB 3.11Å; K693-A718 HydrophobicContact CG-CB 4.32Å; F716-A718 PolarHBondContact O-N 3.47Å; A718-L720 VanDerWaalsContact C-N 3.34Å; A718-K721 WeakPolarHBondContact O-CB 3.43Å; A718-K721 PolarHBondContact O-N 2.97Å
719N84.4Confident77.9Confident10 Ų1042.3 Ų42.35%0.05323%0.231CC..G310 helixtrans-67.7-41.2177.9-51.626000109.4K693 I694 F716 K721 S722 V728K693-N719 VanDerWaalsContact CA-OD1 3.25Å; K693-N719 WeakPolarHBondContact CA-OD1 3.42Å; I694-N719 PolarHBondContact N-OD1 3.39Å; I694-N719 PolarHBondContact O-ND2 2.79Å; F716-N719 WeakPolarHBondContact O-CB 3.18Å; F716-N719 PolarHBondContact O-N 2.9Å; N719-K721 PolarHBondContact O-N 3.12Å; N719-S722 PolarHBondContact O-N 3.04Å; N719-V728 HydrophobicContact CB-CG1 3.39Å; N719-V728 PolarHBondContact ND2-O 2.9Å
720L79.5Confident77.7Confident22 Ų2243.4 Ų43.412%0.11524%0.236CC..G310 helixtrans-65.11.2177.6-58171.4000114.7T341 L348 F716 Y717 A718 V728T341-L720 WeakPolarHBondContact CG2-O 3.41Å; T341-L720 PolarHBondContact OG1-O 3.1Å; T341-L720 VanDerWaalsContact OG1-O 3.05Å; L348-L720 HydrophobicContact CD1-CB 4.14Å; L348-L720 HydrophobicContact CD1-CD1 4.24Å; L348-L720 HydrophobicContact CD2-CB 4.27Å; L348-L720 HydrophobicContact CD2-CD1 3.51Å; L348-L720 HydrophobicContact CD2-CG 4.45Å; F716-L720 WeakPolarHBondContact O-CG 3.44Å; F716-L720 PolarHBondContact O-N 3.35Å; Y717-L720 HydrophobicContact CD1-CD1 4.32Å; A718-L720 VanDerWaalsContact C-N 3.34Å; L720-V728 HydrophobicContact CD2-CG1 3.74Å; L720-V728 HydrophobicContact CG-CG1 4.28Å
721K70.5Confident77.6Confident90 Ų9042.3 Ų42.339%0.39123%0.232SC..G310 helixtrans-87.4-5.5173.8-57.7-149.4175.4-1520114.8T341 N343 Y717 A718 N719T341-K721 HydrophobicContact CG2-CG 3.97Å; T341-K721 WeakPolarHBondContact O-CE 3.48Å; T341-K721 PolarHBondContact O-NZ 2.87Å; N343-K721 VanDerWaalsContact CG-CE 3.42Å; N343-K721 WeakPolarHBondContact OD1-CE 3.21Å; N343-K721 PolarHBondContact OD1-NZ 2.98Å; Y717-K721 WeakPolarHBondContact O-CG 3.33Å; A718-K721 WeakPolarHBondContact O-CB 3.43Å; A718-K721 PolarHBondContact O-N 2.97Å; N719-K721 PolarHBondContact O-N 3.12Å
722S57.8Low77.7Confident43 Ų4340.1 Ų40.130%0.30122%0.22SC..SBendtrans-129.8126.2-178.8-58.40000111.5K693 N719 T724K693-S722 VanDerWaalsContact NZ-CB 3.32Å; K693-S722 PolarHBondContact NZ-OG 3.03Å; N719-S722 PolarHBondContact O-N 3.04Å; S722-T724 PolarHBondContact O-N 3.29Å; S722-T724 VanDerWaalsContact O-N 3.13Å
723P51.5Low77.7Confident82 Ų8240.1 Ų40.153%0.53222%0.22SC..  trans-68.1109168.427.8-32000109.4S336S336-P723 VanDerWaalsContact CB-CB 3.46Å
724T52Low77.8Confident65 Ų6540 Ų4040%0.39922%0.22SC..  trans-135139.8178.149.90000111.3S722 R726S722-T724 PolarHBondContact O-N 3.29Å; S722-T724 VanDerWaalsContact O-N 3.13Å; T724-R726 PolarHBondContact O-N 2.68Å
725T47.8Very low77.8Confident138 Ų13839.2 Ų39.285%0.84721%0.214SC*.SBendtrans-80.836.1-176.147.70000113.8
726R52.2Low77.8Confident203 Ų20341.3 Ų41.377%0.76622%0.223SC*.SBendtrans-137.8153.1-179-69.5-172.6-179.8-172-0.1109.6T724 V728T724-R726 PolarHBondContact O-N 2.68Å; R726-V728 PolarHBondContact O-N 2.87Å
727P55.3Low77.8Confident78 Ų7843.1 Ų43.151%0.50623%0.234SC..  trans-53.9129.9174.423.3-34.1000109.8Q600 G729Q600-P727 HydrophobicContact CG-CB 4.36Å; P727-G729 PolarHBondContact O-N 2.95Å
728V73.9Confident77.8Confident18 Ų1846.9 Ų46.911%0.10926%0.258CS..  trans-69.6-23-166.7168.50000112.5G597 V599 N719 L720 R726G597-V728 VanDerWaalsContact O-CB 3.28Å; G597-V728 WeakPolarHBondContact O-CB 3.38Å; G597-V728 WeakPolarHBondContact O-CG2 3.48Å; V599-V728 HydrophobicContact CG2-CB 4.33Å; V599-V728 HydrophobicContact CG2-CG1 4.22Å; N719-V728 HydrophobicContact CB-CG1 3.39Å; N719-V728 PolarHBondContact ND2-O 2.9Å; L720-V728 HydrophobicContact CD2-CG1 3.74Å; L720-V728 HydrophobicContact CG-CG1 4.28Å; R726-V728 PolarHBondContact O-N 2.87Å
729G85.5Confident78Confident7 Ų747.8 Ų47.87%0.07226%0.26CS..  trans178.1177.2171.600000111V599 Q600 P695 P727V599-G729 CarbonylContact C-O 3.58Å; V599-G729 WeakPolarHBondContact CA-O 3.46Å; Q600-G729 PolarHBondContact N-O 3.11Å; P695-G729 CarbonylContact O-C 3.56Å; P695-G729 WeakPolarHBondContact O-CA 3.44Å; P727-G729 PolarHBondContact O-N 2.95Å
730Q90.4Very high78.3Confident24 Ų2448 Ų4811%0.11226%0.262CS..EExtended strand (participates in β ladder)trans-122.2131.2171.9-172.9-17612.400109.9Q600 P695 L696 L697 V732Q600-Q730 HydrophobicContact CB-CG 4.41Å; P695-Q730 PolarHBondContact O-N 3.14Å; L696-Q730 WeakPolarHBondContact CA-O 3.25Å; L696-Q730 HydrophobicContact CD1-CB 4.17Å; L696-Q730 HydrophobicContact CD1-CG 4.36Å; L697-Q730 PolarHBondContact N-O 2.86Å; Q730-V732 HydrophobicContact CG-CG2 4.01Å
731S94.1Very high78.8Confident0 Ų051 Ų510%028%0.275CS..EExtended strand (participates in β ladder)trans-102127.6165.21730000108.8Q600 D602 L697 H699 F713Q600-S731 PolarHBondContact O-N 3.25Å; D602-S731 PolarHBondContact N-O 2.83Å; L697-S731 CarbonylContact O-C 3.55Å; L697-S731 WeakPolarHBondContact O-CA 3.5Å; H699-S731 PolarHBondContact CD2-OG 3.1Å; H699-S731 PolarHBondContact NE2-OG 3.19Å; F713-S731 WeakPolarHBondContact CE1-OG 3.27Å; F713-S731 WeakPolarHBondContact CZ-OG 3.47Å
732V94.7Very high79.9Confident0 Ų048 Ų480%026%0.264CS..EExtended strand (participates in β ladder)trans-118.1122.8173.6-173.40000108.8D602 R604 L619 L696 L697 I698 H699 Q730 F734D602-V732 HydrophobicContact CB-CG1 4.37Å; D602-V732 HydrophobicContact CB-CG2 4.18Å; D602-V732 CarbonylContact O-C 3.28Å; D602-V732 WeakPolarHBondContact O-CA 3.45Å; R604-V732 HydrophobicContact CG-CG1 4.24Å; L619-V732 HydrophobicContact CD1-CG1 4.06Å; L619-V732 HydrophobicContact CD2-CG2 4.16Å; L696-V732 HydrophobicContact CD1-CG2 3.84Å; L697-V732 PolarHBondContact O-N 3.49Å; I698-V732 CarbonylContact C-O 3.57Å; I698-V732 WeakPolarHBondContact CA-O 3.38Å; H699-V732 PolarHBondContact N-O 2.82Å; Q730-V732 HydrophobicContact CG-CG2 4.01Å; V732-F734 HydrophobicContact CG1-CD1 4.26Å; V732-F734 HydrophobicContact CG1-CE1 3.97Å
733V95.6Very high81.7Confident1 Ų146 Ų461%0.00625%0.249CC..EExtended strand (participates in β ladder)trans-106.2125.4179.4-174.60000110L601 D602 V603 R604 H699 F702 F709 L746L601-V733 HydrophobicContact CD1-CG2 3.99Å; D602-V733 PolarHBondContact O-N 3.08Å; V603-V733 HydrophobicContact CG1-CB 4.44Å; V603-V733 HydrophobicContact CG2-CB 4.29Å; V603-V733 HydrophobicContact CG2-CG2 4.48Å; R604-V733 PolarHBondContact N-O 3.11Å; H699-V733 HydrophobicContact CB-CB 4.43Å; H699-V733 HydrophobicContact CB-CG1 4.27Å; H699-V733 HydrophobicContact CB-CG2 4.27Å; F702-V733 HydrophobicContact CE1-CG1 3.79Å; F702-V733 HydrophobicContact CZ-CG1 3.79Å; F709-V733 HydrophobicContact CE2-CG1 4.23Å; F709-V733 HydrophobicContact CE2-CG2 4.24Å; F709-V733 HydrophobicContact CZ-CG1 4.46Å; F709-V733 HydrophobicContact CZ-CG2 3.91Å; V733-L746 HydrophobicContact CG1-CD1 4.44Å
734F95.1Very high83.7Confident1 Ų143.1 Ų43.10%0.00423%0.228CC..EExtended strand (participates in β ladder)trans-92.6115167-65.7-7.6000108.5R604 K612 H615 L616 L619 I698 H699 Y700 V732R604-F734 HydrophobicContact CB-CD1 4.22Å; R604-F734 WeakPolarHBondContact O-CA 3.36Å; K612-F734 HydrophobicContact CB-CD2 4.11Å; K612-F734 HydrophobicContact CB-CE2 4.24Å; K612-F734 HydrophobicContact CD-CB 4.5Å; K612-F734 HydrophobicContact CD-CD2 4.07Å; K612-F734 HydrophobicContact CG-CD2 3.94Å; H615-F734 HydrophobicContact CB-CE1 4.41Å; H615-F734 HydrophobicContact CB-CZ 4.18Å; L616-F734 HydrophobicContact CB-CE2 4.27Å; L616-F734 HydrophobicContact CB-CZ 4.3Å; L619-F734 HydrophobicContact CD1-CE1 3.89Å; L619-F734 HydrophobicContact CD1-CZ 3.89Å; I698-F734 HydrophobicContact CG2-CE2 4.48Å; I698-F734 HydrophobicContact CG2-CZ 4.4Å; H699-F734 PolarHBondContact O-N 3.31Å; Y700-F734 AromaticContact CD2-CD2 3.91Å; Y700-F734 HydrophobicContact CD2-CD2 3.91Å; Y700-F734 HydrophobicContact CD2-CE2 4.04Å; Y700-F734 HydrophobicContact CE2-CD2 4.26Å; Y700-F734 HydrophobicContact CE2-CE2 4.27Å; V732-F734 HydrophobicContact CG1-CD1 4.26Å; V732-F734 HydrophobicContact CG1-CE1 3.97Å
735A94Very high85.7Confident0 Ų042 Ų420%022%0.217CC..EExtended strand (participates in β ladder)trans-116136.4-179.600000110.2V603 R604 V605 V606 F702 I743V603-A735 HydrophobicContact CG1-CB 4.31Å; R604-A735 PolarHBondContact O-N 2.91Å; V605-A735 CarbonylContact C-O 3.56Å; V605-A735 VanDerWaalsContact CA-O 3.25Å; V605-A735 WeakPolarHBondContact CA-O 3.38Å; V606-A735 PolarHBondContact N-O 3Å; F702-A735 HydrophobicContact CE2-CB 3.56Å; F702-A735 HydrophobicContact CZ-CB 3.85Å; A735-I743 HydrophobicContact CB-CD1 4.47Å; A735-I743 HydrophobicContact CB-CG1 4.31Å
736K91.9Very high87.9Confident54 Ų5435.4 Ų35.424%0.23518%0.177CC..  trans-85.8150170.7-58.8-159.3176.5-155.70110.5V606 E609 T738 D739 I743V606-K736 WeakPolarHBondContact O-CA 3.38Å; E609-K736 WeakPolarHBondContact OE1-CE 3.45Å; E609-K736 IonicContact OE1-NZ 3.05Å; E609-K736 PolarHBondContact OE1-NZ 2.98Å; K736-T738 VanDerWaalsContact CB-OG1 3.31Å; K736-T738 WeakPolarHBondContact CB-OG1 3.47Å; K736-T738 PolarHBondContact O-N 3.08Å; K736-D739 PolarHBondContact N-OD2 3.28Å; K736-D739 WeakPolarHBondContact O-CB 3.5Å; K736-D739 PolarHBondContact O-N 3.04Å; K736-I743 WeakPolarHBondContact O-CD1 3.41Å
737P90.8Very high89.9Confident38 Ų3825.7 Ų25.725%0.24714%0.14CC..THydrogen-bonded Turntrans-57.8-11.5170.9-2433.3000114.5V605 I764 R768V605-P737 HydrophobicContact CG1-CG 3.75Å; P737-I764 HydrophobicContact CB-CG2 4.5Å; P737-R768 PolarHBondContact O-NE 3.46Å; P737-R768 PolarHBondContact O-NH2 2.89Å; P737-R768 VanDerWaalsContact O-NH2 3.13Å
738T89.9Confident91.6Very high88 Ų8823.6 Ų23.654%0.5413%0.125SC..THydrogen-bonded Turntrans-85.2-15.117349.60000113.9K736 V740K736-T738 VanDerWaalsContact CB-OG1 3.31Å; K736-T738 WeakPolarHBondContact CB-OG1 3.47Å; K736-T738 PolarHBondContact O-N 3.08Å; T738-V740 PolarHBondContact O-N 2.93Å
739D90.4Very high92.5Very high41 Ų4123.3 Ų23.322%0.21912%0.122CC..  trans-81.738.4-171.6-60.4-24.9000112.6F702 K736 E741 N742 I743F702-D739 HydrophobicContact CD2-CB 3.82Å; F702-D739 VanDerWaalsContact CD2-OD2 3.27Å; F702-D739 WeakPolarHBondContact CD2-OD2 3.45Å; F702-D739 HydrophobicContact CE2-CB 3.67Å; F702-D739 WeakPolarHBondContact CE2-OD2 3.27Å; K736-D739 PolarHBondContact N-OD2 3.28Å; K736-D739 WeakPolarHBondContact O-CB 3.5Å; K736-D739 PolarHBondContact O-N 3.04Å; D739-E741 VanDerWaalsContact C-N 3.27Å; D739-E741 PolarHBondContact O-N 3.36Å; D739-E741 VanDerWaalsContact O-N 3.14Å; D739-N742 PolarHBondContact O-N 3.06Å; D739-I743 HydrophobicContact CB-CD1 4.41Å; D739-I743 HydrophobicContact CB-CG1 4.39Å; D739-I743 WeakPolarHBondContact O-CG1 3.42Å; D739-I743 PolarHBondContact O-N 2.83Å
740V90.8Very high92.8Very high16 Ų1623.7 Ų23.710%0.09712%0.121CC..Hα-helixtrans-47.7-46.8-170.7-1740000112.2T738 N742 I743 W744 L765 R768T738-V740 PolarHBondContact O-N 2.93Å; V740-N742 VanDerWaalsContact C-N 3.32Å; V740-N742 PolarHBondContact O-N 2.88Å; V740-I743 PolarHBondContact O-N 3.22Å; V740-W744 WeakPolarHBondContact O-CB 3.19Å; V740-W744 PolarHBondContact O-N 2.7Å; V740-L765 HydrophobicContact CG1-CD2 3.72Å; V740-L765 WeakPolarHBondContact O-CD2 3.25Å; V740-R768 HydrophobicContact CG2-CB 3.99Å; V740-R768 HydrophobicContact CG2-CG 3.68Å
741E91.6Very high92.6Very high83 Ų8323.3 Ų23.339%0.38812%0.12SC..Hα-helixtrans-57.7-38.9177.4-84-73.2146.700113.2D739 K745 H796D739-E741 VanDerWaalsContact C-N 3.27Å; D739-E741 PolarHBondContact O-N 3.36Å; D739-E741 VanDerWaalsContact O-N 3.14Å; E741-K745 WeakPolarHBondContact O-CD 3.33Å; E741-K745 VanDerWaalsContact O-CG 3.31Å; E741-K745 WeakPolarHBondContact O-CG 3.33Å; E741-K745 PolarHBondContact O-NZ 3.38Å; E741-K745 IonicContact OE2-NZ 3.43Å; E741-K745 PolarHBondContact OE2-NZ 3.2Å; E741-H796 VanDerWaalsContact CD-CE1 3.44Å; E741-H796 IonicContact OE1-CE1 3.9Å; E741-H796 PolarHBondContact OE1-CE1 3.07Å; E741-H796 IonicContact OE1-ND1 2.67Å; E741-H796 IonicContact OE2-CE1 3.19Å; E741-H796 PolarHBondContact OE2-CE1 2.71Å; E741-H796 IonicContact OE2-NE2 2.74Å
742N92.9Very high92.2Very high29 Ų2927.3 Ų27.316%0.15514%0.137CC..Hα-helixtrans-88-35-179.1-70.6-44.7000112.3F702 D739 V740 W744 K745 L746F702-N742 HydrophobicContact CD1-CB 3.68Å; F702-N742 HydrophobicContact CD2-CB 3.9Å; F702-N742 HydrophobicContact CE1-CB 3.64Å; F702-N742 HydrophobicContact CE2-CB 3.84Å; F702-N742 HydrophobicContact CG-CB 3.82Å; F702-N742 HydrophobicContact CZ-CB 3.72Å; D739-N742 PolarHBondContact O-N 3.06Å; V740-N742 VanDerWaalsContact C-N 3.32Å; V740-N742 PolarHBondContact O-N 2.88Å; N742-W744 VanDerWaalsContact C-N 3.29Å; N742-W744 PolarHBondContact O-N 2.8Å; N742-K745 PolarHBondContact O-N 3.37Å; N742-L746 PolarHBondContact O-N 2.72Å
743I94.8Very high91.8Very high0 Ų028.4 Ų28.40%014%0.142CC..Hα-helixtrans-59.5-41.6171.4-67.5173.8000110.1A735 K736 D739 V740 K745 L746 C747 L761 I764 L765A735-I743 HydrophobicContact CB-CD1 4.47Å; A735-I743 HydrophobicContact CB-CG1 4.31Å; K736-I743 WeakPolarHBondContact O-CD1 3.41Å; D739-I743 HydrophobicContact CB-CD1 4.41Å; D739-I743 HydrophobicContact CB-CG1 4.39Å; D739-I743 WeakPolarHBondContact O-CG1 3.42Å; D739-I743 PolarHBondContact O-N 2.83Å; V740-I743 PolarHBondContact O-N 3.22Å; I743-K745 PolarHBondContact O-N 3.47Å; I743-L746 PolarHBondContact O-N 2.73Å; I743-C747 PolarHBondContact O-N 2.92Å; I743-C747 PolarHBondContact O-SG 3.21Å; I743-L761 HydrophobicContact CG2-CB 3.92Å; I743-L761 HydrophobicContact CG2-CD2 4.29Å; I743-I764 HydrophobicContact CD1-CD1 4.46Å; I743-I764 HydrophobicContact CD1-CG2 4.12Å; I743-L765 HydrophobicContact CB-CD2 4.19Å; I743-L765 HydrophobicContact CG2-CD1 4.31Å; I743-L765 HydrophobicContact CG2-CD2 3.91Å; I743-L765 HydrophobicContact CG2-CG 3.95Å
744W94.5Very high91.1Very high21 Ų2133.7 Ų33.78%0.0817%0.165CC..Hα-helixtrans-60.4-44.5175.2-165.899.4000111.9V740 N742 L746 C747 D748 L765 L794 H796 L950V740-W744 WeakPolarHBondContact O-CB 3.19Å; V740-W744 PolarHBondContact O-N 2.7Å; N742-W744 VanDerWaalsContact C-N 3.29Å; N742-W744 PolarHBondContact O-N 2.8Å; W744-L746 VanDerWaalsContact C-N 3.33Å; W744-L746 PolarHBondContact O-N 3.19Å; W744-C747 PolarHBondContact O-N 3.24Å; W744-D748 HydrophobicContact CE3-CB 3.94Å; W744-D748 HydrophobicContact CH2-CB 4.27Å; W744-D748 HydrophobicContact CZ3-CB 3.67Å; W744-D748 WeakPolarHBondContact O-CB 3.33Å; W744-D748 PolarHBondContact O-N 3.27Å; W744-L765 HydrophobicContact CB-CD1 4.24Å; W744-L765 HydrophobicContact CB-CD2 3.99Å; W744-L765 HydrophobicContact CG-CD1 4.41Å; W744-L794 PolarHBondContact NE1-O 3.05Å; W744-H796 HydrophobicContact CD2-CB 4.18Å; W744-H796 AromaticContact CD2-CD2 3.63Å; W744-H796 AromaticContact CE3-CD2 3.46Å; W744-H796 VanDerWaalsContact CE3-CD2 3.46Å; W744-H796 HydrophobicContact CH2-CB 4.44Å; W744-H796 HydrophobicContact CZ2-CB 3.88Å; W744-H796 AromaticContact CZ3-CD2 3.73Å; W744-L950 HydrophobicContact CD2-CD1 3.76Å; W744-L950 HydrophobicContact CE3-CD1 4.29Å; W744-L950 HydrophobicContact CG-CD1 4.08Å; W744-L950 HydrophobicContact CH2-CD1 4.44Å; W744-L950 HydrophobicContact CZ2-CB 3.77Å; W744-L950 HydrophobicContact CZ2-CD1 3.93Å; W744-L950 HydrophobicContact CZ2-CG 4.42Å
745K93.9Very high90.5Very high41 Ų4134.5 Ų34.518%0.17817%0.169CC..Hα-helixtrans-67.2-32.2179.4-66.9173-170.477.70112.4W706 E741 N742 I743 F749W706-K745 HydrophobicContact CB-CD 4.06Å; W706-K745 HydrophobicContact CD2-CB 4.02Å; W706-K745 HydrophobicContact CD2-CD 4.07Å; W706-K745 HydrophobicContact CE3-CB 3.95Å; W706-K745 HydrophobicContact CE3-CD 4.27Å; W706-K745 HydrophobicContact CG-CD 3.97Å; W706-K745 HydrophobicContact CH2-CB 4.07Å; W706-K745 HydrophobicContact CZ2-CB 4.11Å; W706-K745 HydrophobicContact CZ3-CB 3.98Å; E741-K745 WeakPolarHBondContact O-CD 3.33Å; E741-K745 VanDerWaalsContact O-CG 3.31Å; E741-K745 WeakPolarHBondContact O-CG 3.33Å; E741-K745 PolarHBondContact O-NZ 3.38Å; E741-K745 IonicContact OE2-NZ 3.43Å; E741-K745 PolarHBondContact OE2-NZ 3.2Å; N742-K745 PolarHBondContact O-N 3.37Å; I743-K745 PolarHBondContact O-N 3.47Å; K745-F749 WeakPolarHBondContact O-CB 3.47Å; K745-F749 PolarHBondContact O-N 3.4Å; K745-F749 VanDerWaalsContact O-N 3.13Å
746L94.2Very high90.1Very high0 Ų038.6 Ų38.60%020%0.196CC..Hα-helixtrans-68.1-48.4168.8-75170000111.9V603 F702 W706 F709 V733 N742 I743 W744 D748 F749 Y750V603-L746 HydrophobicContact CG1-CD1 4.1Å; V603-L746 HydrophobicContact CG2-CD1 4.16Å; F702-L746 HydrophobicContact CE1-CD1 3.83Å; F702-L746 HydrophobicContact CZ-CD1 3.69Å; W706-L746 HydrophobicContact CH2-CD2 4.08Å; W706-L746 HydrophobicContact CH2-CG 4.34Å; W706-L746 HydrophobicContact CZ3-CD2 4.43Å; W706-L746 HydrophobicContact CZ3-CG 4.42Å; F709-L746 HydrophobicContact CE1-CD2 4.25Å; F709-L746 HydrophobicContact CZ-CD2 4.25Å; V733-L746 HydrophobicContact CG1-CD1 4.44Å; N742-L746 PolarHBondContact O-N 2.72Å; I743-L746 PolarHBondContact O-N 2.73Å; W744-L746 VanDerWaalsContact C-N 3.33Å; W744-L746 PolarHBondContact O-N 3.19Å; L746-D748 VanDerWaalsContact C-N 3.3Å; L746-D748 PolarHBondContact O-N 3.36Å; L746-F749 WeakPolarHBondContact O-CB 3.12Å; L746-F749 PolarHBondContact O-N 3.15Å; L746-F749 VanDerWaalsContact O-N 3.15Å; L746-Y750 VanDerWaalsContact O-CD2 3.29Å; L746-Y750 WeakPolarHBondContact O-CD2 3.38Å; L746-Y750 PolarHBondContact O-N 2.96Å
747C93.9Very high89.9Confident0 Ų038.4 Ų38.40%019%0.194CC..Hα-helixtrans-58.6-41.5177.4-70.60000112.3I743 W744 Y750 M751 L761 L762 L765 L950I743-C747 PolarHBondContact O-N 2.92Å; I743-C747 PolarHBondContact O-SG 3.21Å; W744-C747 PolarHBondContact O-N 3.24Å; C747-Y750 PolarHBondContact O-N 3.39Å; C747-M751 VanDerWaalsContact O-CG 3.32Å; C747-M751 WeakPolarHBondContact O-CG 3.08Å; C747-M751 PolarHBondContact O-N 2.74Å; C747-L761 WeakPolarHBondContact SG-CB 3.35Å; C747-L762 HydrophobicContact CB-CD2 3.96Å; C747-L765 HydrophobicContact CB-CD1 4.18Å; C747-L950 HydrophobicContact CB-CD1 3.71Å; C747-L950 HydrophobicContact CB-CD2 4.2Å
748D91.7Very high89.9Confident34 Ų3436.8 Ų36.818%0.18218%0.184CC..Hα-helixtrans-62.1-43.2175.517359000111.6W744 L746 K752 L950W744-D748 HydrophobicContact CE3-CB 3.94Å; W744-D748 HydrophobicContact CH2-CB 4.27Å; W744-D748 HydrophobicContact CZ3-CB 3.67Å; W744-D748 WeakPolarHBondContact O-CB 3.33Å; W744-D748 PolarHBondContact O-N 3.27Å; L746-D748 VanDerWaalsContact C-N 3.3Å; L746-D748 PolarHBondContact O-N 3.36Å; D748-K752 WeakPolarHBondContact O-CB 3.3Å; D748-K752 WeakPolarHBondContact O-CD 3.41Å; D748-K752 VanDerWaalsContact O-CG 3.29Å; D748-K752 WeakPolarHBondContact O-CG 3.39Å; D748-K752 PolarHBondContact O-N 2.89Å; D748-K752 WeakPolarHBondContact OD1-CE 3.42Å; D748-K752 IonicContact OD1-NZ 3.6Å; D748-K752 PolarHBondContact OD1-NZ 2.92Å; D748-K752 IonicContact OD2-NZ 2.71Å; D748-K752 PolarHBondContact OD2-NZ 3.08Å; D748-L950 HydrophobicContact CB-CD1 3.94Å
749F91.8Very high89.9Confident11 Ų1135.4 Ų35.45%0.04818%0.181CC..Hα-helixtrans-62.7-47.4174.1176.9-95.5000112.5L591 V595 L601 K745 L746 M751 K752 H753 L755L591-F749 HydrophobicContact CD1-CE1 4.1Å; L591-F749 HydrophobicContact CD1-CE2 4.09Å; L591-F749 HydrophobicContact CD1-CZ 3.59Å; L591-F749 HydrophobicContact CD2-CD1 4.47Å; L591-F749 HydrophobicContact CD2-CD2 3.69Å; L591-F749 HydrophobicContact CD2-CE1 4.27Å; L591-F749 HydrophobicContact CD2-CE2 3.43Å; L591-F749 VanDerWaalsContact CD2-CE2 3.43Å; L591-F749 HydrophobicContact CD2-CG 4.2Å; L591-F749 HydrophobicContact CD2-CZ 3.75Å; L591-F749 HydrophobicContact CG-CD2 4.21Å; L591-F749 HydrophobicContact CG-CE1 4.31Å; L591-F749 HydrophobicContact CG-CE2 3.43Å; L591-F749 VanDerWaalsContact CG-CE2 3.43Å; L591-F749 HydrophobicContact CG-CZ 3.48Å; L591-F749 VanDerWaalsContact CG-CZ 3.48Å; V595-F749 HydrophobicContact CG2-CE1 4.44Å; V595-F749 HydrophobicContact CG2-CE2 4.22Å; V595-F749 HydrophobicContact CG2-CZ 3.53Å; L601-F749 HydrophobicContact CD2-CD1 4.28Å; L601-F749 HydrophobicContact CD2-CE1 3.97Å; K745-F749 WeakPolarHBondContact O-CB 3.47Å; K745-F749 PolarHBondContact O-N 3.4Å; K745-F749 VanDerWaalsContact O-N 3.13Å; L746-F749 WeakPolarHBondContact O-CB 3.12Å; L746-F749 PolarHBondContact O-N 3.15Å; L746-F749 VanDerWaalsContact O-N 3.15Å; F749-M751 PolarHBondContact O-N 2.69Å; F749-K752 PolarHBondContact O-N 3.13Å; F749-H753 AromaticContact CD2-CD2 3.49Å; F749-H753 VanDerWaalsContact CD2-CD2 3.49Å; F749-H753 WeakPolarHBondContact CD2-CD2 3.42Å; F749-H753 AromaticContact CD2-NE2 3.79Å; F749-H753 AromaticContact CE2-CD2 3.2Å; F749-H753 WeakPolarHBondContact CE2-CD2 3.47Å; F749-H753 AromaticContact CE2-NE2 3.23Å; F749-H753 WeakPolarHBondContact CE2-NE2 3.04Å; F749-H753 AromaticContact CZ-CD2 3.52Å; F749-H753 AromaticContact CZ-NE2 3.8Å; F749-H753 PolarHBondContact O-CD2 3.21Å; F749-H753 PolarHBondContact O-N 2.67Å; F749-H753 VanDerWaalsContact O-N 3.08Å; F749-L755 HydrophobicContact CE1-CD1 4.42Å
750Y90.8Very high89.9Confident15 Ų1537.3 Ų37.36%0.05919%0.188CC..Hα-helixtrans-57.3-49.4176.8-90.3-118.1000111.5A328 L601 V603 L746 C747 K752 H753 K754 L755 P756 P758A328-Y750 HydrophobicContact CB-CE1 3.92Å; L601-Y750 HydrophobicContact CD2-CD2 4.46Å; L601-Y750 HydrophobicContact CD2-CE2 3.59Å; L601-Y750 HydrophobicContact CG-CE2 4.14Å; L601-Y750 PolarHBondContact O-OH 3.04Å; V603-Y750 HydrophobicContact CG2-CE2 4.3Å; L746-Y750 VanDerWaalsContact O-CD2 3.29Å; L746-Y750 WeakPolarHBondContact O-CD2 3.38Å; L746-Y750 PolarHBondContact O-N 2.96Å; C747-Y750 PolarHBondContact O-N 3.39Å; Y750-K752 PolarHBondContact O-N 3.32Å; Y750-H753 PolarHBondContact O-N 2.58Å; Y750-K754 PolarHBondContact O-N 3.12Å; Y750-L755 HydrophobicContact CD1-CB 3.53Å; Y750-L755 HydrophobicContact CD1-CD1 4Å; Y750-L755 HydrophobicContact CD1-CG 4.4Å; Y750-L755 HydrophobicContact CD2-CD1 4.19Å; Y750-L755 HydrophobicContact CE1-CB 4.2Å; Y750-L755 HydrophobicContact CE1-CD1 4.2Å; Y750-L755 HydrophobicContact CE2-CD1 4.4Å; Y750-L755 HydrophobicContact CG-CB 3.94Å; Y750-L755 HydrophobicContact CG-CD1 3.99Å; Y750-L755 PolarHBondContact O-N 3.48Å; Y750-P756 WeakPolarHBondContact CD1-O 3.22Å; Y750-P758 HydrophobicContact CD1-CB 4.31Å; Y750-P758 HydrophobicContact CD1-CG 4.14Å; Y750-P758 HydrophobicContact CG-CG 4.21Å
751M87.1Confident90.1Very high16 Ų1636.7 Ų36.78%0.07918%0.184CC..Hα-helixtrans-61.9-42.6178.9-68.9-61.5-52.400112.1C747 F749 H753 K754 R757 E948 L950C747-M751 VanDerWaalsContact O-CG 3.32Å; C747-M751 WeakPolarHBondContact O-CG 3.08Å; C747-M751 PolarHBondContact O-N 2.74Å; F749-M751 PolarHBondContact O-N 2.69Å; M751-H753 VanDerWaalsContact C-N 3.32Å; M751-H753 PolarHBondContact O-N 3.48Å; M751-K754 PolarHBondContact O-N 2.92Å; M751-R757 HydrophobicContact SD-CB 4.35Å; M751-R757 HydrophobicContact SD-CG 4.02Å; M751-E948 HydrophobicContact CE-CB 3.93Å; M751-E948 HydrophobicContact CE-CG 4.08Å; M751-L950 HydrophobicContact CG-CD2 4.07Å
752K85.7Confident90.1Very high85 Ų8533.3 Ų33.337%0.3717%0.169SC..Hα-helixtrans-62.5-37178.4-79.4165.6176.5164.10113.1I566 D748 F749 Y750I566-K752 HydrophobicContact CD1-CB 4.28Å; I566-K752 HydrophobicContact CD1-CD 3.96Å; I566-K752 HydrophobicContact CD1-CG 4.23Å; D748-K752 WeakPolarHBondContact O-CB 3.3Å; D748-K752 WeakPolarHBondContact O-CD 3.41Å; D748-K752 VanDerWaalsContact O-CG 3.29Å; D748-K752 WeakPolarHBondContact O-CG 3.39Å; D748-K752 PolarHBondContact O-N 2.89Å; D748-K752 WeakPolarHBondContact OD1-CE 3.42Å; D748-K752 IonicContact OD1-NZ 3.6Å; D748-K752 PolarHBondContact OD1-NZ 2.92Å; D748-K752 IonicContact OD2-NZ 2.71Å; D748-K752 PolarHBondContact OD2-NZ 3.08Å; F749-K752 PolarHBondContact O-N 3.13Å; Y750-K752 PolarHBondContact O-N 3.32Å
753H85.6Confident90.1Very high22 Ų2233.5 Ų33.510%0.10218%0.177CC..THydrogen-bonded Turntrans-89.57.6-179.4-77.6-69.5000114.8I566 W567 E592 F749 Y750 M751 L755I566-H753 WeakPolarHBondContact CG2-CE1 3.32Å; I566-H753 WeakPolarHBondContact CG2-NE2 3.34Å; W567-H753 PolarHBondContact O-CE1 2.95Å; W567-H753 PolarHBondContact O-ND1 3.32Å; E592-H753 IonicContact OE1-CE1 2.75Å; E592-H753 IonicContact OE1-NE2 3.01Å; E592-H753 PolarHBondContact OE1-NE2 3.44Å; E592-H753 IonicContact OE2-CE1 2.62Å; E592-H753 PolarHBondContact OE2-CE1 3Å; E592-H753 IonicContact OE2-NE2 3.69Å; E592-H753 PolarHBondContact OE2-NE2 2.75Å; E592-H753 VanDerWaalsContact OE2-NE2 3.15Å; F749-H753 AromaticContact CD2-CD2 3.49Å; F749-H753 VanDerWaalsContact CD2-CD2 3.49Å; F749-H753 WeakPolarHBondContact CD2-CD2 3.42Å; F749-H753 AromaticContact CD2-NE2 3.79Å; F749-H753 AromaticContact CE2-CD2 3.2Å; F749-H753 WeakPolarHBondContact CE2-CD2 3.47Å; F749-H753 AromaticContact CE2-NE2 3.23Å; F749-H753 WeakPolarHBondContact CE2-NE2 3.04Å; F749-H753 AromaticContact CZ-CD2 3.52Å; F749-H753 AromaticContact CZ-NE2 3.8Å; F749-H753 PolarHBondContact O-CD2 3.21Å; F749-H753 PolarHBondContact O-N 2.67Å; F749-H753 VanDerWaalsContact O-N 3.08Å; Y750-H753 PolarHBondContact O-N 2.58Å; M751-H753 VanDerWaalsContact C-N 3.32Å; M751-H753 PolarHBondContact O-N 3.48Å; H753-L755 HydrophobicContact CB-CG 4.04Å; H753-L755 PolarHBondContact O-N 3.41Å
754K81.1Confident90.1Very high112 Ų11234.5 Ų34.549%0.48718%0.183SC..THydrogen-bonded Turntrans5528.6-174-56.8179168.5-176.20114D570 Y750 M751D570-K754 WeakPolarHBondContact OD2-CE 3.48Å; D570-K754 IonicContact OD2-NZ 3.97Å; D570-K754 PolarHBondContact OD2-NZ 3.44Å; Y750-K754 PolarHBondContact O-N 3.12Å; M751-K754 PolarHBondContact O-N 2.92Å
755L84Confident90Very high18 Ų1833.6 Ų33.69%0.09418%0.179CC..  trans-69.6158.7173.4-60.7-173.9000110.2A328 L330 F749 Y750 H753 R757A328-L755 HydrophobicContact CB-CB 4.48Å; A328-L755 HydrophobicContact CB-CD1 4.22Å; A328-L755 HydrophobicContact CB-CD2 4.43Å; L330-L755 HydrophobicContact CD1-CD1 4.35Å; L330-L755 HydrophobicContact CD2-CD2 3.72Å; L330-L755 HydrophobicContact CG-CD1 4.47Å; L330-L755 HydrophobicContact CG-CD2 3.86Å; F749-L755 HydrophobicContact CE1-CD1 4.42Å; Y750-L755 HydrophobicContact CD1-CB 3.53Å; Y750-L755 HydrophobicContact CD1-CD1 4Å; Y750-L755 HydrophobicContact CD1-CG 4.4Å; Y750-L755 HydrophobicContact CD2-CD1 4.19Å; Y750-L755 HydrophobicContact CE1-CB 4.2Å; Y750-L755 HydrophobicContact CE1-CD1 4.2Å; Y750-L755 HydrophobicContact CE2-CD1 4.4Å; Y750-L755 HydrophobicContact CG-CB 3.94Å; Y750-L755 HydrophobicContact CG-CD1 3.99Å; Y750-L755 PolarHBondContact O-N 3.48Å; H753-L755 HydrophobicContact CB-CG 4.04Å; H753-L755 PolarHBondContact O-N 3.41Å; L755-R757 PolarHBondContact O-N 3.46Å
756P85.6Confident89.9Confident86 Ų8632.9 Ų32.956%0.55818%0.18SC*.  trans-48.9126174.6-2835.8000110.9Y750 P758Y750-P756 WeakPolarHBondContact CD1-O 3.22Å; P756-P758 VanDerWaalsContact O-CD 3.29Å; P756-P758 WeakPolarHBondContact O-CD 3.33Å; P756-P758 VanDerWaalsContact O-N 3.11Å
757R86.9Confident89.8Confident51 Ų5138.2 Ų38.219%0.19220%0.204CC..  trans-59.3113.5-175.1178.7176.9176.187.5-6.7109.1M751 L755 A759 L762 Q946 H1014M751-R757 HydrophobicContact SD-CB 4.35Å; M751-R757 HydrophobicContact SD-CG 4.02Å; L755-R757 PolarHBondContact O-N 3.46Å; R757-A759 PolarHBondContact O-N 3.17Å; R757-L762 HydrophobicContact CG-CD1 3.6Å; R757-Q946 VanDerWaalsContact NH2-NE2 3.19Å; R757-H1014 WeakPolarHBondContact CD-NE2 3.39Å
758P90.8Very high89.5Confident4 Ų441.4 Ų41.43%0.02622%0.216CC..  trans-77.988.5-168.330.8-35.2000110.2D325 Y750 P756 H760 L761 L762D325-P758 WeakPolarHBondContact OD2-CA 3.4Å; Y750-P758 HydrophobicContact CD1-CB 4.31Å; Y750-P758 HydrophobicContact CD1-CG 4.14Å; Y750-P758 HydrophobicContact CG-CG 4.21Å; P756-P758 VanDerWaalsContact O-CD 3.29Å; P756-P758 WeakPolarHBondContact O-CD 3.33Å; P756-P758 VanDerWaalsContact O-N 3.11Å; P758-H760 VanDerWaalsContact C-N 3.29Å; P758-H760 PolarHBondContact O-N 3.11Å; P758-L761 HydrophobicContact CB-CB 4.08Å; P758-L761 HydrophobicContact CB-CD1 3.9Å; P758-L761 HydrophobicContact CB-CG 4.03Å; P758-L761 HydrophobicContact CG-CB 4.36Å; P758-L761 HydrophobicContact CG-CD1 4.28Å; P758-L761 PolarHBondContact O-N 3.31Å; P758-L762 VanDerWaalsContact O-CG 3.3Å; P758-L762 WeakPolarHBondContact O-CG 3.47Å; P758-L762 PolarHBondContact O-N 2.85Å
759A89.5Confident89.3Confident58 Ų5840.4 Ų40.448%0.47921%0.21SC..Hα-helixtrans-64.5-36.8-167.200000111.7D325 R757 L762 G763D325-A759 PolarHBondContact OD1-N 2.66Å; D325-A759 PolarHBondContact OD2-N 3.13Å; R757-A759 PolarHBondContact O-N 3.17Å; A759-L762 PolarHBondContact O-N 3.12Å; A759-G763 PolarHBondContact O-N 3.06Å
760H90.6Very high89Confident81 Ų8143.2 Ų43.238%0.37523%0.225SC..Hα-helixtrans-66.1-45178.4-175-113.2000111.8D325 P758 L762 G763 I764D325-H760 WeakPolarHBondContact OD2-CB 3.41Å; D325-H760 PolarHBondContact OD2-N 3.04Å; P758-H760 VanDerWaalsContact C-N 3.29Å; P758-H760 PolarHBondContact O-N 3.11Å; H760-L762 PolarHBondContact O-N 2.98Å; H760-G763 PolarHBondContact O-N 2.83Å; H760-I764 PolarHBondContact O-N 3.5Å
761L94.4Very high88.7Confident4 Ų445.7 Ų45.72%0.02124%0.237CC..Hα-helixtrans-64.4-39.1178.3-59.9-172.8000112.2V603 V605 I743 C747 P758 G763 I764 L765V603-L761 HydrophobicContact CB-CD1 4.29Å; V603-L761 HydrophobicContact CG1-CD1 3.98Å; V603-L761 HydrophobicContact CG1-CD2 4.09Å; V605-L761 HydrophobicContact CG2-CD2 3.4Å; V605-L761 VanDerWaalsContact CG2-CD2 3.4Å; I743-L761 HydrophobicContact CG2-CB 3.92Å; I743-L761 HydrophobicContact CG2-CD2 4.29Å; C747-L761 WeakPolarHBondContact SG-CB 3.35Å; P758-L761 HydrophobicContact CB-CB 4.08Å; P758-L761 HydrophobicContact CB-CD1 3.9Å; P758-L761 HydrophobicContact CB-CG 4.03Å; P758-L761 HydrophobicContact CG-CB 4.36Å; P758-L761 HydrophobicContact CG-CD1 4.28Å; P758-L761 PolarHBondContact O-N 3.31Å; L761-G763 VanDerWaalsContact C-N 3.32Å; L761-I764 HydrophobicContact CD2-CD1 4.48Å; L761-I764 PolarHBondContact O-N 2.78Å; L761-L765 WeakPolarHBondContact O-CG 3.47Å; L761-L765 PolarHBondContact O-N 2.71Å
762L93.4Very high88.4Confident12 Ų1248.7 Ų48.76%0.06325%0.251CS..Hα-helixtrans-66.3-35175-64.9171.7000112C747 R757 P758 A759 H760 L765 S766 L794 L950C747-L762 HydrophobicContact CB-CD2 3.96Å; R757-L762 HydrophobicContact CG-CD1 3.6Å; P758-L762 VanDerWaalsContact O-CG 3.3Å; P758-L762 WeakPolarHBondContact O-CG 3.47Å; P758-L762 PolarHBondContact O-N 2.85Å; A759-L762 PolarHBondContact O-N 3.12Å; H760-L762 PolarHBondContact O-N 2.98Å; L762-L765 HydrophobicContact CD2-CD1 4.32Å; L762-L765 PolarHBondContact O-N 3.49Å; L762-S766 PolarHBondContact O-N 2.79Å; L762-S766 PolarHBondContact O-OG 2.86Å; L762-L794 HydrophobicContact CB-CD2 4.29Å; L762-L794 HydrophobicContact CD2-CD1 4.15Å; L762-L794 HydrophobicContact CD2-CD2 4.17Å; L762-L950 HydrophobicContact CD2-CD2 3.65Å
763G92.8Very high87.9Confident32 Ų3245.7 Ų45.733%0.3324%0.239SC..Hα-helixtrans-55.9-52.4171.200000112.1A759 H760 L761 L765 S766 Q767A759-G763 PolarHBondContact O-N 3.06Å; H760-G763 PolarHBondContact O-N 2.83Å; L761-G763 VanDerWaalsContact C-N 3.32Å; G763-L765 VanDerWaalsContact C-N 3.32Å; G763-L765 PolarHBondContact O-N 2.88Å; G763-S766 PolarHBondContact O-N 3.13Å; G763-S766 PolarHBondContact O-OG 3.15Å; G763-Q767 PolarHBondContact O-N 2.85Å
764I93.4Very high87.2Confident22 Ų2250.1 Ų50.111%0.11326%0.259CS..Hα-helixtrans-56.2-45.2177.9-63164.7000111.4V605 P737 I743 H760 L761 S766 Q767 R768V605-I764 HydrophobicContact CB-CD1 4.23Å; V605-I764 HydrophobicContact CG1-CD1 3.68Å; V605-I764 HydrophobicContact CG2-CD1 3.66Å; P737-I764 HydrophobicContact CB-CG2 4.5Å; I743-I764 HydrophobicContact CD1-CD1 4.46Å; I743-I764 HydrophobicContact CD1-CG2 4.12Å; H760-I764 PolarHBondContact O-N 3.5Å; L761-I764 HydrophobicContact CD2-CD1 4.48Å; L761-I764 PolarHBondContact O-N 2.78Å; I764-S766 VanDerWaalsContact C-N 3.34Å; I764-S766 PolarHBondContact O-N 2.92Å; I764-Q767 PolarHBondContact O-N 2.88Å; I764-R768 HydrophobicContact CG2-CG 4.36Å; I764-R768 WeakPolarHBondContact O-CB 3.24Å; I764-R768 VanDerWaalsContact O-CG 3.27Å; I764-R768 WeakPolarHBondContact O-CG 3.4Å; I764-R768 PolarHBondContact O-N 2.67Å
765L93.1Very high86.6Confident2 Ų251.4 Ų51.41%0.0127%0.271CS..Hα-helixtrans-61.1-43177.2-64.4174.7000111.8V740 I743 W744 C747 L761 L762 G763 R769 L794V740-L765 HydrophobicContact CG1-CD2 3.72Å; V740-L765 WeakPolarHBondContact O-CD2 3.25Å; I743-L765 HydrophobicContact CB-CD2 4.19Å; I743-L765 HydrophobicContact CG2-CD1 4.31Å; I743-L765 HydrophobicContact CG2-CD2 3.91Å; I743-L765 HydrophobicContact CG2-CG 3.95Å; W744-L765 HydrophobicContact CB-CD1 4.24Å; W744-L765 HydrophobicContact CB-CD2 3.99Å; W744-L765 HydrophobicContact CG-CD1 4.41Å; C747-L765 HydrophobicContact CB-CD1 4.18Å; L761-L765 WeakPolarHBondContact O-CG 3.47Å; L761-L765 PolarHBondContact O-N 2.71Å; L762-L765 HydrophobicContact CD2-CD1 4.32Å; L762-L765 PolarHBondContact O-N 3.49Å; G763-L765 VanDerWaalsContact C-N 3.32Å; G763-L765 PolarHBondContact O-N 2.88Å; L765-R769 VanDerWaalsContact O-CG 3.25Å; L765-R769 WeakPolarHBondContact O-CG 3.34Å; L765-R769 PolarHBondContact O-N 3.27Å; L765-L794 HydrophobicContact CB-CD2 4.25Å
766S92.3Very high85.7Confident26 Ų2655.7 Ų55.718%0.18229%0.29CS..Hα-helixtrans-68.3-40.4179.668.10000113.4L762 G763 I764 R769L762-S766 PolarHBondContact O-N 2.79Å; L762-S766 PolarHBondContact O-OG 2.86Å; G763-S766 PolarHBondContact O-N 3.13Å; G763-S766 PolarHBondContact O-OG 3.15Å; I764-S766 VanDerWaalsContact C-N 3.34Å; I764-S766 PolarHBondContact O-N 2.92Å; S766-R769 PolarHBondContact O-N 3.42Å
767Q90.6Very high84.4Confident112 Ų11258.3 Ų58.352%0.52330%0.295SS..Hα-helixtrans-70.4-42.6-179.6-177.3173.7-30.900111.6G763 I764 R769 L770 E771G763-Q767 PolarHBondContact O-N 2.85Å; I764-Q767 PolarHBondContact O-N 2.88Å; Q767-R769 PolarHBondContact O-N 2.89Å; Q767-L770 WeakPolarHBondContact O-CA 3.46Å; Q767-L770 WeakPolarHBondContact O-CB 3.34Å; Q767-L770 PolarHBondContact O-N 3.39Å; Q767-E771 WeakPolarHBondContact CG-OE1 3.28Å; Q767-E771 PolarHBondContact NE2-OE1 2.88Å; Q767-E771 PolarHBondContact O-N 3.41Å; Q767-E771 VanDerWaalsContact O-N 3.11Å
768R88.8Confident83.1Confident66 Ų6657.5 Ų57.525%0.24930%0.296CS..Hα-helixtrans-58.4-33.7175.8-73.7-78.3-175-143.65.4112.6P737 V740 I764 L770 E771 E772P737-R768 PolarHBondContact O-NE 3.46Å; P737-R768 PolarHBondContact O-NH2 2.89Å; P737-R768 VanDerWaalsContact O-NH2 3.13Å; V740-R768 HydrophobicContact CG2-CB 3.99Å; V740-R768 HydrophobicContact CG2-CG 3.68Å; I764-R768 HydrophobicContact CG2-CG 4.36Å; I764-R768 WeakPolarHBondContact O-CB 3.24Å; I764-R768 VanDerWaalsContact O-CG 3.27Å; I764-R768 WeakPolarHBondContact O-CG 3.4Å; I764-R768 PolarHBondContact O-N 2.67Å; R768-L770 VanDerWaalsContact C-N 3.27Å; R768-L770 PolarHBondContact O-N 2.92Å; R768-E771 WeakPolarHBondContact CD-OE2 3.49Å; R768-E771 IonicContact CZ-OE2 2.69Å; R768-E771 IonicContact NE-OE2 3.83Å; R768-E771 IonicContact NH1-OE2 2.85Å; R768-E771 PolarHBondContact NH1-OE2 2.66Å; R768-E771 PolarHBondContact O-N 2.77Å; R768-E772 WeakPolarHBondContact O-CB 3.37Å; R768-E772 WeakPolarHBondContact O-CG 3.26Å; R768-E772 PolarHBondContact O-N 2.93Å
769R87.1Confident81.3Confident14 Ų1463.5 Ų63.55%0.05333%0.333CS..Hα-helixtrans-69.4-19.2174.7-67.7-75.4176.3-96.1-12.9114.1L765 S766 Q767 E772 C793 R795 H796 H802L765-R769 VanDerWaalsContact O-CG 3.25Å; L765-R769 WeakPolarHBondContact O-CG 3.34Å; L765-R769 PolarHBondContact O-N 3.27Å; S766-R769 PolarHBondContact O-N 3.42Å; Q767-R769 PolarHBondContact O-N 2.89Å; R769-E772 WeakPolarHBondContact CD-OE2 3.15Å; R769-E772 IonicContact CZ-OE2 2.7Å; R769-E772 IonicContact NE-OE2 2.78Å; R769-E772 IonicContact NH1-OE1 3.31Å; R769-E772 PolarHBondContact NH1-OE1 3.04Å; R769-E772 IonicContact NH1-OE2 3.26Å; R769-E772 PolarHBondContact NH1-OE2 3.3Å; R769-C793 HydrophobicContact CB-CB 4.46Å; R769-R795 PolarHBondContact NE-O 2.89Å; R769-R795 PolarHBondContact NH2-O 2.98Å; R769-H796 PolarHBondContact NH2-O 3.49Å; R769-H802 PolarHBondContact O-ND1 2.82Å
770L85Confident79.9Confident69 Ų6962 Ų6236%0.36132%0.319SS..Hα-helixtrans-79.9-54.5169.1-60.8172.4000109.6Q767 R768 E772 Q773 E774 M787 H802Q767-L770 WeakPolarHBondContact O-CA 3.46Å; Q767-L770 WeakPolarHBondContact O-CB 3.34Å; Q767-L770 PolarHBondContact O-N 3.39Å; R768-L770 VanDerWaalsContact C-N 3.27Å; R768-L770 PolarHBondContact O-N 2.92Å; L770-E772 PolarHBondContact O-N 3.34Å; L770-Q773 WeakPolarHBondContact O-CB 3.16Å; L770-Q773 PolarHBondContact O-N 2.9Å; L770-E774 PolarHBondContact O-N 2.94Å; L770-E774 VanDerWaalsContact O-N 3.15Å; L770-M787 HydrophobicContact CD2-CE 3.85Å; L770-H802 HydrophobicContact CD2-CB 3.83Å
771E85.8Confident78.6Confident68 Ų6866.9 Ų66.932%0.31833%0.334SS..Hα-helixtrans-55.9-45.7-178.4-64.6169.2-175.300112.8Q767 R768 Q773 E774 L775Q767-E771 WeakPolarHBondContact CG-OE1 3.28Å; Q767-E771 PolarHBondContact NE2-OE1 2.88Å; Q767-E771 PolarHBondContact O-N 3.41Å; Q767-E771 VanDerWaalsContact O-N 3.11Å; R768-E771 WeakPolarHBondContact CD-OE2 3.49Å; R768-E771 IonicContact CZ-OE2 2.69Å; R768-E771 IonicContact NE-OE2 3.83Å; R768-E771 IonicContact NH1-OE2 2.85Å; R768-E771 PolarHBondContact NH1-OE2 2.66Å; R768-E771 PolarHBondContact O-N 2.77Å; E771-Q773 PolarHBondContact O-N 2.88Å; E771-E774 PolarHBondContact O-N 3.26Å; E771-L775 PolarHBondContact O-N 3.07Å
772E80.9Confident78Confident78 Ų7869.3 Ų69.336%0.36435%0.351SS..Hα-helixtrans-54.4-36.7174.6-77.6167175.800112.4R768 R769 L770 H776R768-E772 WeakPolarHBondContact O-CB 3.37Å; R768-E772 WeakPolarHBondContact O-CG 3.26Å; R768-E772 PolarHBondContact O-N 2.93Å; R769-E772 WeakPolarHBondContact CD-OE2 3.15Å; R769-E772 IonicContact CZ-OE2 2.7Å; R769-E772 IonicContact NE-OE2 2.78Å; R769-E772 IonicContact NH1-OE1 3.31Å; R769-E772 PolarHBondContact NH1-OE1 3.04Å; R769-E772 IonicContact NH1-OE2 3.26Å; R769-E772 PolarHBondContact NH1-OE2 3.3Å; L770-E772 PolarHBondContact O-N 3.34Å; E772-H776 PolarHBondContact O-N 3.42Å; E772-H776 PolarHBondContact O-ND1 2.83Å
773Q74.3Confident77.6Confident23 Ų2369.6 Ų69.611%0.10735%0.353CS..Hα-helixtrans-82.1-28.2-175.9-164.5-126.3-6500112.7L770 E771 Q777 H802L770-Q773 WeakPolarHBondContact O-CB 3.16Å; L770-Q773 PolarHBondContact O-N 2.9Å; E771-Q773 PolarHBondContact O-N 2.88Å; Q773-Q777 PolarHBondContact O-N 3.11Å; Q773-H802 VanDerWaalsContact OE1-CA 3.32Å
774E71.9Confident77.5Confident115 Ų11568.1 Ų68.154%0.53734%0.337SS..Hα-helixtrans-67.9-39172.9-59.8-159.513400111L770 E771 K1031L770-E774 PolarHBondContact O-N 2.94Å; L770-E774 VanDerWaalsContact O-N 3.15Å; E771-E774 PolarHBondContact O-N 3.26Å; E774-K1031 IonicContact OE1-NZ 2.77Å; E774-K1031 PolarHBondContact OE1-NZ 3.45Å
775L68.6Low77.3Confident139 Ų13972.2 Ų72.273%0.72836%0.356SS*.Hα-helixtrans-67.5-34.4178.4-173.365.2000113.7E771E771-L775 PolarHBondContact O-N 3.07Å
776H63.4Low77.2Confident108 Ų10872.5 Ų72.550%0.536%0.357SS..Hα-helixtrans-92.5-8-172.7-72.784.1000115E772E772-H776 PolarHBondContact O-N 3.42Å; E772-H776 PolarHBondContact O-ND1 2.83Å
777Q59.5Low77.2Confident140 Ų14071.5 Ų71.565%0.65435%0.35SS*.  trans62.1151.2-163.9-62.6-175.7-5.600113.8Q773 T779Q773-Q777 PolarHBondContact O-N 3.11Å; Q777-T779 VanDerWaalsContact C-N 3.28Å; Q777-T779 PolarHBondContact O-N 2.72Å
778P58.9Low77.2Confident35 Ų3567.2 Ų67.223%0.22733%0.333CS..  trans-75.474179.631.5-36000112.4S780P778-S780 PolarHBondContact O-N 3.31Å
779T53Low77.3Confident130 Ų13064.5 Ų64.580%0.79833%0.325SS*.  trans-62.8-20.6171.254.90000113.2Q777Q777-T779 VanDerWaalsContact C-N 3.28Å; Q777-T779 PolarHBondContact O-N 2.72Å
780S59.4Low77.6Confident26 Ų2664.9 Ų64.918%0.18233%0.327CS..  trans-93.7119-179.4-164.60000111.8P778 S782 M799P778-S780 PolarHBondContact O-N 3.31Å; S780-S782 VanDerWaalsContact C-N 3.3Å; S780-S782 PolarHBondContact O-N 3.37Å; S780-M799 WeakPolarHBondContact CB-O 3.31Å; S780-M799 PolarHBondContact OG-O 3.22Å
781R64.9Low77.9Confident183 Ų18362.2 Ų62.269%0.69132%0.316SS*.  trans-64-31.5-179.9-66.4-176.1178.7-174.7-1.2113.4R801R781-R801 PolarHBondContact O-NE 3.03Å; R781-R801 PolarHBondContact O-NH2 2.89Å
782S80.1Confident78.3Confident55 Ų5559.5 Ų59.539%0.38530%0.304SS..SBendtrans-101.1136-16962.40000113.8S780 Y800 R801S780-S782 VanDerWaalsContact C-N 3.3Å; S780-S782 PolarHBondContact O-N 3.37Å; S782-Y800 WeakPolarHBondContact OG-CD1 3.22Å; S782-R801 PolarHBondContact O-N 3.19Å; S782-R801 VanDerWaalsContact O-N 3.1Å
783L86.3Confident78.8Confident19 Ų1955.8 Ų55.810%0.09929%0.287CS..BIsolated β-bridgetrans-63.1140.6174.5-17267.8000111.1H785 M787 A788 R801 M804L783-H785 PolarHBondContact O-N 3.37Å; L783-M787 HydrophobicContact CD1-CG 4.26Å; L783-A788 HydrophobicContact CD2-CB 3.84Å; L783-A788 HydrophobicContact CG-CB 4.26Å; L783-R801 CarbonylContact C-O 3.45Å; L783-R801 WeakPolarHBondContact CA-O 3.46Å; L783-M804 HydrophobicContact CD1-CB 4.43Å; L783-M804 HydrophobicContact CD2-CE 3.58Å
784C89.3Confident79.6Confident0 Ų054.8 Ų54.80%028%0.282CS..PPolyproline II helixtrans-65129.2-178.5177.40000111Q786 M787 A788 C798 R801 H802C784-Q786 PolarHBondContact O-N 2.92Å; C784-M787 HydrophobicContact CB-CB 3.88Å; C784-M787 WeakPolarHBondContact O-CB 3.41Å; C784-M787 PolarHBondContact O-N 3.46Å; C784-A788 WeakPolarHBondContact O-CB 3.28Å; C784-A788 PolarHBondContact O-N 2.79Å; C784-C798 VanDerWaalsContact SG-SG 3.6Å; C784-R801 VanDerWaalsContact CB-O 3.29Å; C784-R801 WeakPolarHBondContact CB-O 3.29Å; C784-R801 PolarHBondContact N-O 3.46Å; C784-H802 WeakPolarHBondContact CB-CD2 3.39Å
785H89.1Confident80.4Confident109 Ų10952.1 Ų52.151%0.50527%0.267SS..THydrogen-bonded Turntrans-64.2-24.6-175.6-7250.7000113.9L783 A789L783-H785 PolarHBondContact O-N 3.37Å; H785-A789 VanDerWaalsContact O-CB 3.27Å; H785-A789 WeakPolarHBondContact O-CB 3.4Å; H785-A789 PolarHBondContact O-N 3.37Å
786Q92.1Very high81.1Confident7 Ų747.9 Ų47.93%0.03324%0.243CC..THydrogen-bonded Turntrans-77.2-43.6170.3-72.9-163.45.700111.7C784 A788 A789 F790 D792 R795 L950 D951 R952C784-Q786 PolarHBondContact O-N 2.92Å; Q786-A788 PolarHBondContact O-N 2.92Å; Q786-A789 WeakPolarHBondContact O-CB 3.12Å; Q786-A789 PolarHBondContact O-N 2.99Å; Q786-F790 HydrophobicContact CB-CD2 4.26Å; Q786-F790 WeakPolarHBondContact O-CD2 3.24Å; Q786-F790 PolarHBondContact O-N 3.39Å; Q786-D792 CarbonylContact C-O 3.55Å; Q786-D792 VanDerWaalsContact C-O 3.31Å; Q786-R795 HydrophobicContact CG-CG 4.48Å; Q786-L950 PolarHBondContact NE2-O 2.96Å; Q786-D951 PolarHBondContact NE2-O 2.87Å; Q786-R952 VanDerWaalsContact OE1-NH1 3.14Å
787M91.2Very high82Confident6 Ų650.4 Ų50.43%0.0325%0.253CS..Hα-helixtrans-58-49.5177-179.154.173.800110.6L770 L783 C784 A789 F790 G791 D792 H802 M1026L770-M787 HydrophobicContact CD2-CE 3.85Å; L783-M787 HydrophobicContact CD1-CG 4.26Å; C784-M787 HydrophobicContact CB-CB 3.88Å; C784-M787 WeakPolarHBondContact O-CB 3.41Å; C784-M787 PolarHBondContact O-N 3.46Å; M787-A789 PolarHBondContact O-N 3.07Å; M787-A789 VanDerWaalsContact O-N 3.08Å; M787-F790 PolarHBondContact O-N 3.13Å; M787-G791 WeakPolarHBondContact O-CA 3.4Å; M787-G791 PolarHBondContact O-N 3.43Å; M787-G791 VanDerWaalsContact SD-O 3.38Å; M787-D792 PolarHBondContact N-O 2.78Å; M787-H802 HydrophobicContact CE-CB 4.08Å; M787-H802 WeakPolarHBondContact CG-O 3.1Å; M787-M1026 HydrophobicContact CG-CG 4.21Å; M787-M1026 HydrophobicContact CG-SD 3.62Å; M787-M1026 HydrophobicContact SD-CB 4.19Å; M787-M1026 HydrophobicContact SD-CG 3.81Å; M787-M1026 HydrophobicContact SD-SD 3.72Å
788A90.6Very high83.1Confident22 Ų2245.1 Ų45.118%0.18223%0.231CC..Hα-helixtrans-66.4-5.6174.600000115.2L783 C784 Q786L783-A788 HydrophobicContact CD2-CB 3.84Å; L783-A788 HydrophobicContact CG-CB 4.26Å; C784-A788 WeakPolarHBondContact O-CB 3.28Å; C784-A788 PolarHBondContact O-N 2.79Å; Q786-A788 PolarHBondContact O-N 2.92Å
789A91.6Very high84.3Confident8 Ų850.5 Ų50.57%0.06626%0.255CS..Hα-helixtrans-108.4-36177.800000113.4H785 Q786 M787 R941H785-A789 VanDerWaalsContact O-CB 3.27Å; H785-A789 WeakPolarHBondContact O-CB 3.4Å; H785-A789 PolarHBondContact O-N 3.37Å; Q786-A789 WeakPolarHBondContact O-CB 3.12Å; Q786-A789 PolarHBondContact O-N 2.99Å; M787-A789 PolarHBondContact O-N 3.07Å; M787-A789 VanDerWaalsContact O-N 3.08Å; A789-R941 VanDerWaalsContact CB-NH1 3.33Å
790F92.9Very high85.8Confident22 Ų2248.7 Ų48.710%0.09623%0.234CC..Hα-helixtrans-134.3-6.2-163-52.7-62.1000113.8Q786 M787 D792 Q946 R952 K1022Q786-F790 HydrophobicContact CB-CD2 4.26Å; Q786-F790 WeakPolarHBondContact O-CD2 3.24Å; Q786-F790 PolarHBondContact O-N 3.39Å; M787-F790 PolarHBondContact O-N 3.13Å; F790-D792 VanDerWaalsContact CB-OD1 3.32Å; F790-D792 WeakPolarHBondContact CB-OD1 3.22Å; F790-D792 PolarHBondContact O-N 3.45Å; F790-Q946 HydrophobicContact CE1-CB 4.04Å; F790-Q946 HydrophobicContact CZ-CB 4.09Å; F790-R952 HydrophobicContact CE2-CB 4.02Å; F790-R952 HydrophobicContact CE2-CG 4.19Å; F790-K1022 VanDerWaalsContact O-CB 3.28Å; F790-K1022 WeakPolarHBondContact O-CB 3.42Å; F790-K1022 WeakPolarHBondContact O-CD 3.49Å
791G92.3Very high87.2Confident13 Ų1347.6 Ų47.613%0.13423%0.226CC..SBendtrans70.49.4-174.700000114.8M787M787-G791 WeakPolarHBondContact O-CA 3.4Å; M787-G791 PolarHBondContact O-N 3.43Å; M787-G791 VanDerWaalsContact SD-O 3.38Å
792D93.1Very high88.3Confident11 Ų1139.2 Ų39.26%0.05920%0.195CC..SBendtrans-149.1164.7176.959.97.8000111.5Q786 M787 F790 R952 K1022Q786-D792 CarbonylContact C-O 3.55Å; Q786-D792 VanDerWaalsContact C-O 3.31Å; M787-D792 PolarHBondContact N-O 2.78Å; F790-D792 VanDerWaalsContact CB-OD1 3.32Å; F790-D792 WeakPolarHBondContact CB-OD1 3.22Å; F790-D792 PolarHBondContact O-N 3.45Å; D792-R952 PolarHBondContact O-NH1 3.04Å; D792-R952 IonicContact OD1-CZ 3.34Å; D792-R952 IonicContact OD1-NH1 3.34Å; D792-R952 PolarHBondContact OD1-NH1 3.47Å; D792-R952 IonicContact OD1-NH2 2.75Å; D792-R952 PolarHBondContact OD1-NH2 2.69Å; D792-R952 IonicContact OD2-NH2 3.48Å; D792-R952 PolarHBondContact OD2-NH2 2.62Å; D792-K1022 HydrophobicContact CB-CD 4.41Å; D792-K1022 WeakPolarHBondContact OD2-CD 3.12Å; D792-K1022 WeakPolarHBondContact OD2-CE 3.1Å; D792-K1022 IonicContact OD2-NZ 3.62Å; D792-K1022 PolarHBondContact OD2-NZ 2.72Å
793C91.8Very high88.7Confident1 Ų137.4 Ų37.41%0.00718%0.181CC..  trans-128.7125.8176.3-172.30000110.9R769 H802R769-C793 HydrophobicContact CB-CB 4.46Å; C793-H802 PolarHBondContact SG-NE2 2.96Å
794L91.6Very high88.8Confident2 Ų236.6 Ų36.61%0.0118%0.177CC..  trans-117.110.9-177.3-60.3177000112.8W744 L762 L765W744-L794 PolarHBondContact NE1-O 3.05Å; L762-L794 HydrophobicContact CB-CD2 4.29Å; L762-L794 HydrophobicContact CD2-CD1 4.15Å; L762-L794 HydrophobicContact CD2-CD2 4.17Å; L765-L794 HydrophobicContact CB-CD2 4.25Å
795R87.8Confident88.7Confident59 Ų5938.3 Ų38.322%0.22318%0.183CC..  trans-65143.2179.1-68.4178.9166.5173.9-7.4111.6R769 Q786 K797 C798 Y800R769-R795 PolarHBondContact NE-O 2.89Å; R769-R795 PolarHBondContact NH2-O 2.98Å; Q786-R795 HydrophobicContact CG-CG 4.48Å; R795-K797 VanDerWaalsContact C-N 3.29Å; R795-K797 WeakPolarHBondContact CB-O 3.37Å; R795-K797 PolarHBondContact O-N 3.08Å; R795-C798 HydrophobicContact CB-CB 4.23Å; R795-Y800 VanDerWaalsContact NH1-CD2 3.3Å
796H83.5Confident88.7Confident50 Ų5039.8 Ų39.823%0.23118%0.184CC..SBendtrans-62.5-34.2178-166.3-54.3000112.9E741 W744 R769E741-H796 VanDerWaalsContact CD-CE1 3.44Å; E741-H796 IonicContact OE1-CE1 3.9Å; E741-H796 PolarHBondContact OE1-CE1 3.07Å; E741-H796 IonicContact OE1-ND1 2.67Å; E741-H796 IonicContact OE2-CE1 3.19Å; E741-H796 PolarHBondContact OE2-CE1 2.71Å; E741-H796 IonicContact OE2-NE2 2.74Å; W744-H796 HydrophobicContact CD2-CB 4.18Å; W744-H796 AromaticContact CD2-CD2 3.63Å; W744-H796 AromaticContact CE3-CD2 3.46Å; W744-H796 VanDerWaalsContact CE3-CD2 3.46Å; W744-H796 HydrophobicContact CH2-CB 4.44Å; W744-H796 HydrophobicContact CZ2-CB 3.88Å; W744-H796 AromaticContact CZ3-CD2 3.73Å; R769-H796 PolarHBondContact NH2-O 3.49Å
797K82.3Confident88.3Confident161 Ų16143.5 Ų43.570%0.721%0.205SC*.SBendtrans-143.7149.5164.9-64.9-165.9176-165.50108.4R795R795-K797 VanDerWaalsContact C-N 3.29Å; R795-K797 WeakPolarHBondContact CB-O 3.37Å; R795-K797 PolarHBondContact O-N 3.08Å
798C84.2Confident88Confident28 Ų2844.2 Ų44.219%0.18921%0.208CC..  trans-149.2123.1-178.1-164.90000112.2C784 R795 H802C784-C798 VanDerWaalsContact SG-SG 3.6Å; R795-C798 HydrophobicContact CB-CB 4.23Å; C798-H802 PolarHBondContact SG-NE2 3Å
799M82.3Confident87.9Confident148 Ų14844.4 Ų44.473%0.72921%0.207SC*.  trans-100.122.8-179.6-46.5-54-7400112.9S780S780-M799 WeakPolarHBondContact CB-O 3.31Å; S780-M799 PolarHBondContact OG-O 3.22Å
800Y85.5Confident87.8Confident92 Ų9250.5 Ų50.536%0.36124%0.237SC..SBendtrans-114.4150.2-176.1-64.4-91.7000110.5S782 R795 H802S782-Y800 WeakPolarHBondContact OG-CD1 3.22Å; R795-Y800 VanDerWaalsContact NH1-CD2 3.3Å; Y800-H802 PolarHBondContact O-N 2.69Å
801R88.2Confident87.7Confident3 Ų350 Ų501%0.01124%0.237CC..BIsolated β-bridgetrans-64.1130.4176.4169.7167.558.487.7-5.6110.2R781 S782 L783 C784 V803 W805 E808R781-R801 PolarHBondContact O-NE 3.03Å; R781-R801 PolarHBondContact O-NH2 2.89Å; S782-R801 PolarHBondContact O-N 3.19Å; S782-R801 VanDerWaalsContact O-N 3.1Å; L783-R801 CarbonylContact C-O 3.45Å; L783-R801 WeakPolarHBondContact CA-O 3.46Å; C784-R801 VanDerWaalsContact CB-O 3.29Å; C784-R801 WeakPolarHBondContact CB-O 3.29Å; C784-R801 PolarHBondContact N-O 3.46Å; R801-V803 VanDerWaalsContact CD-O 3.28Å; R801-V803 WeakPolarHBondContact CD-O 3.44Å; R801-V803 WeakPolarHBondContact CG-O 3.41Å; R801-V803 PolarHBondContact NH1-O 2.97Å; R801-W805 VanDerWaalsContact NH2-CZ3 3.28Å; R801-E808 IonicContact CZ-OE1 2.68Å; R801-E808 IonicContact CZ-OE2 3.85Å; R801-E808 IonicContact NH1-OE1 2.98Å; R801-E808 PolarHBondContact NH1-OE1 3.34Å; R801-E808 IonicContact NH1-OE2 3.51Å; R801-E808 PolarHBondContact NH1-OE2 3.24Å; R801-E808 IonicContact NH2-OE1 3.2Å; R801-E808 PolarHBondContact NH2-OE1 2.89Å; R801-E808 IonicContact NH2-OE2 2.7Å; R801-E808 PolarHBondContact NH2-OE2 3.17Å
802H89.6Confident87.5Confident8 Ų851.3 Ų51.34%0.03724%0.242CC..  trans-101.3-1.2175-57.3126.7000113.1R769 L770 Q773 C784 M787 C793 C798 Y800R769-H802 PolarHBondContact O-ND1 2.82Å; L770-H802 HydrophobicContact CD2-CB 3.83Å; Q773-H802 VanDerWaalsContact OE1-CA 3.32Å; C784-H802 WeakPolarHBondContact CB-CD2 3.39Å; M787-H802 HydrophobicContact CE-CB 4.08Å; M787-H802 WeakPolarHBondContact CG-O 3.1Å; C793-H802 PolarHBondContact SG-NE2 2.96Å; C798-H802 PolarHBondContact SG-NE2 3Å; Y800-H802 PolarHBondContact O-N 2.69Å
803V87.1Confident87.4Confident16 Ų1657.5 Ų57.510%0.09728%0.276CS..SBendtrans-105120.8175.4175.50000110.5R801 K1031R801-V803 VanDerWaalsContact CD-O 3.28Å; R801-V803 WeakPolarHBondContact CD-O 3.44Å; R801-V803 WeakPolarHBondContact CG-O 3.41Å; R801-V803 PolarHBondContact NH1-O 2.97Å; V803-K1031 HydrophobicContact CG1-CB 4.01Å; V803-K1031 HydrophobicContact CG1-CD 3.96Å; V803-K1031 HydrophobicContact CG1-CG 3.73Å
804M88.1Confident87.3Confident3 Ų360 Ų602%0.01529%0.287CS..  trans-72.9141.6172.2178.1167.6-84.500110.9L783 E808 V809 I986 H987 M1026 V1027 S1030 K1031L783-M804 HydrophobicContact CD1-CB 4.43Å; L783-M804 HydrophobicContact CD2-CE 3.58Å; M804-E808 HydrophobicContact CG-CB 3.9Å; M804-V809 HydrophobicContact CG-CG2 4.13Å; M804-V809 HydrophobicContact SD-CB 4.46Å; M804-V809 HydrophobicContact SD-CG2 3.87Å; M804-I986 HydrophobicContact CE-CG2 3.99Å; M804-I986 HydrophobicContact SD-CG2 4.04Å; M804-H987 HydrophobicContact CE-CB 4.11Å; M804-M1026 HydrophobicContact CB-CG 4.2Å; M804-M1026 HydrophobicContact CE-CE 3.62Å; M804-M1026 HydrophobicContact CE-SD 4.24Å; M804-M1026 HydrophobicContact SD-CE 3.92Å; M804-V1027 HydrophobicContact SD-CG2 4.24Å; M804-S1030 VanDerWaalsContact O-CA 3.24Å; M804-S1030 WeakPolarHBondContact O-CA 3.48Å; M804-S1030 WeakPolarHBondContact O-CB 3.43Å; M804-K1031 PolarHBondContact O-N 3.35Å; M804-K1031 VanDerWaalsContact O-N 3.13Å
805W88.3Confident87.4Confident36 Ų3660.1 Ų60.114%0.13629%0.288CS..BIsolated β-bridgetrans-85.5155.4172.1-61.9-43.4000111.7R801 D807 E808 V809 K1031 C1033R801-W805 VanDerWaalsContact NH2-CZ3 3.28Å; W805-D807 VanDerWaalsContact C-N 3.33Å; W805-D807 WeakPolarHBondContact CB-OD1 3.01Å; W805-D807 PolarHBondContact O-N 2.87Å; W805-E808 HydrophobicContact CB-CG 4.13Å; W805-E808 HydrophobicContact CE3-CG 4.23Å; W805-E808 PolarHBondContact N-OE2 2.76Å; W805-E808 WeakPolarHBondContact O-CB 3.5Å; W805-E808 PolarHBondContact O-N 3.08Å; W805-E808 VanDerWaalsContact O-N 3.07Å; W805-V809 PolarHBondContact O-N 3.49Å; W805-K1031 CarbonylContact C-O 3.57Å; W805-K1031 WeakPolarHBondContact CA-O 3.49Å; W805-C1033 HydrophobicContact CB-CB 4.44Å; W805-C1033 HydrophobicContact CD2-CB 4Å; W805-C1033 HydrophobicContact CE3-CB 4.42Å; W805-C1033 HydrophobicContact CG-CB 4.02Å
806R88.2Confident87.7Confident139 Ų13958.4 Ų58.453%0.52528%0.284SS..Hα-helixtrans-63.3-35.1-177.2-69.6-169.2-172141.33.5114E808 V809 K1031 D1032R806-E808 VanDerWaalsContact C-N 3.28Å; R806-V809 PolarHBondContact O-N 3.21Å; R806-K1031 PolarHBondContact N-O 3.49Å; R806-D1032 WeakPolarHBondContact CD-OD1 3.29Å; R806-D1032 IonicContact CZ-OD1 3.21Å; R806-D1032 IonicContact CZ-OD2 3.66Å; R806-D1032 IonicContact NE-OD1 2.66Å; R806-D1032 IonicContact NH1-OD1 2.93Å; R806-D1032 PolarHBondContact NH1-OD1 2.95Å; R806-D1032 IonicContact NH1-OD2 2.97Å; R806-D1032 PolarHBondContact NH1-OD2 3.36Å; R806-D1032 IonicContact NH2-OD2 3.3Å; R806-D1032 PolarHBondContact NH2-OD2 3.14Å
807D84.1Confident88Confident86 Ų8661 Ų6146%0.4630%0.295SS..Hα-helixtrans-68.1-27.4173.665.3-46.9000112.4W805 M1036W805-D807 VanDerWaalsContact C-N 3.33Å; W805-D807 WeakPolarHBondContact CB-OD1 3.01Å; W805-D807 PolarHBondContact O-N 2.87Å; D807-M1036 HydrophobicContact CB-CE 4.14Å
808E85.9Confident88.4Confident21 Ų2159.4 Ų59.410%0.09829%0.294CS..Hα-helixtrans-76.4-20175.6-66.4179.2141.800113.9R801 M804 W805 R806 H987R801-E808 IonicContact CZ-OE1 2.68Å; R801-E808 IonicContact CZ-OE2 3.85Å; R801-E808 IonicContact NH1-OE1 2.98Å; R801-E808 PolarHBondContact NH1-OE1 3.34Å; R801-E808 IonicContact NH1-OE2 3.51Å; R801-E808 PolarHBondContact NH1-OE2 3.24Å; R801-E808 IonicContact NH2-OE1 3.2Å; R801-E808 PolarHBondContact NH2-OE1 2.89Å; R801-E808 IonicContact NH2-OE2 2.7Å; R801-E808 PolarHBondContact NH2-OE2 3.17Å; M804-E808 HydrophobicContact CG-CB 3.9Å; W805-E808 HydrophobicContact CB-CG 4.13Å; W805-E808 HydrophobicContact CE3-CG 4.23Å; W805-E808 PolarHBondContact N-OE2 2.76Å; W805-E808 WeakPolarHBondContact O-CB 3.5Å; W805-E808 PolarHBondContact O-N 3.08Å; W805-E808 VanDerWaalsContact O-N 3.07Å; R806-E808 VanDerWaalsContact C-N 3.28Å; E808-H987 WeakPolarHBondContact CA-ND1 3.41Å; E808-H987 WeakPolarHBondContact CB-ND1 3.4Å; E808-H987 WeakPolarHBondContact O-CA 3.44Å; E808-H987 WeakPolarHBondContact O-CB 3.46Å; E808-H987 PolarHBondContact O-N 3.27Å; E808-H987 PolarHBondContact O-ND1 3.25Å
809V88.4Confident88.9Confident26 Ų2659.7 Ų59.716%0.15830%0.301CS..Hα-helixtrans-61.2-49.2-175168.50000111.9M804 W805 R806 H987 V1027M804-V809 HydrophobicContact CG-CG2 4.13Å; M804-V809 HydrophobicContact SD-CB 4.46Å; M804-V809 HydrophobicContact SD-CG2 3.87Å; W805-V809 PolarHBondContact O-N 3.49Å; R806-V809 PolarHBondContact O-N 3.21Å; V809-H987 PolarHBondContact O-N 2.92Å; V809-V1027 HydrophobicContact CG1-CG1 3.63Å; V809-V1027 HydrophobicContact CG1-CG2 4.39Å; V809-V1027 HydrophobicContact CG2-CG1 4.32Å
810L88.5Confident89.5Confident135 Ų13558.2 Ų58.271%0.70730%0.295SS*.SBendtrans-76.2132-171-66177000111.3
811P90.1Very high90Very high13 Ų1354.3 Ų54.38%0.08428%0.281CS..PPolyproline II helixtrans-74148.3172.732.2-35.9000111.1K817 A985 H987P811-K817 HydrophobicContact CG-CD 4.43Å; P811-K817 HydrophobicContact CG-CG 4.17Å; P811-A985 HydrophobicContact CB-CB 3.89Å; P811-A985 HydrophobicContact CG-CB 3.93Å; P811-A985 WeakPolarHBondContact CG-O 3.36Å; P811-H987 VanDerWaalsContact CA-O 3.26Å; P811-H987 WeakPolarHBondContact CA-O 3.49Å; P811-H987 WeakPolarHBondContact CB-O 3.43Å
812P89.9Confident90.4Very high39 Ų3960 Ų6025%0.25330%0.302SS..PPolyproline II helixtrans-55.7147.1178-23.332.8000112.4H814 Y815P812-H814 PolarHBondContact O-N 3.27Å; P812-Y815 HydrophobicContact CB-CD2 3.86Å; P812-Y815 HydrophobicContact CB-CE2 4.19Å; P812-Y815 HydrophobicContact CG-CD2 3.92Å; P812-Y815 HydrophobicContact CG-CE2 3.88Å; P812-Y815 VanDerWaalsContact O-CB 3.28Å; P812-Y815 WeakPolarHBondContact O-CB 3.38Å; P812-Y815 PolarHBondContact O-N 3.32Å
813D89.3Confident90.6Very high142 Ų14259.6 Ų59.676%0.75930%0.3SS*.THydrogen-bonded Turntrans-64.2-21.1-166.9-65.9-56.7000116.6Y815 K817D813-Y815 VanDerWaalsContact C-N 3.32Å; D813-K817 IonicContact OD1-NZ 3.53Å; D813-K817 PolarHBondContact OD1-NZ 2.87Å
814H91.1Very high90.9Very high52 Ų5259.8 Ų59.824%0.24130%0.301CS..THydrogen-bonded Turntrans-79.8-11.8173.156.2-77.7000113.3P812 Q841P812-H814 PolarHBondContact O-N 3.27Å; H814-Q841 PolarHBondContact O-NE2 2.75Å; H814-Q841 PolarHBondContact O-OE1 2.86Å
815Y93.8Very high91Very high6 Ų661 Ų612%0.02431%0.308CS..SBendtrans-74.5133.6176.4-83.3-129.4000111P812 D813 K817 R935 M938 R988 I990P812-Y815 HydrophobicContact CB-CD2 3.86Å; P812-Y815 HydrophobicContact CB-CE2 4.19Å; P812-Y815 HydrophobicContact CG-CD2 3.92Å; P812-Y815 HydrophobicContact CG-CE2 3.88Å; P812-Y815 VanDerWaalsContact O-CB 3.28Å; P812-Y815 WeakPolarHBondContact O-CB 3.38Å; P812-Y815 PolarHBondContact O-N 3.32Å; D813-Y815 VanDerWaalsContact C-N 3.32Å; Y815-K817 PolarHBondContact O-N 3.1Å; Y815-R935 HydrophobicContact CE2-CG 4.43Å; Y815-M938 HydrophobicContact CD1-SD 4.38Å; Y815-M938 HydrophobicContact CD2-CE 3.8Å; Y815-M938 HydrophobicContact CD2-CG 4.44Å; Y815-M938 HydrophobicContact CD2-SD 4.19Å; Y815-M938 HydrophobicContact CE1-CB 4.09Å; Y815-M938 HydrophobicContact CE1-CG 4.08Å; Y815-M938 HydrophobicContact CE1-SD 4.4Å; Y815-M938 HydrophobicContact CE2-CE 3.98Å; Y815-M938 HydrophobicContact CE2-CG 3.88Å; Y815-M938 HydrophobicContact CE2-SD 4.23Å; Y815-M938 HydrophobicContact CG-CE 4.33Å; Y815-M938 HydrophobicContact CG-SD 4.28Å; Y815-R988 VanDerWaalsContact CE1-C 3.48Å; Y815-R988 VanDerWaalsContact CE1-O 3.25Å; Y815-R988 WeakPolarHBondContact CE1-O 3.35Å; Y815-R988 PolarHBondContact OH-O 2.84Å; Y815-R988 VanDerWaalsContact OH-O 3.07Å; Y815-I990 HydrophobicContact CD1-CD1 3.86Å; Y815-I990 HydrophobicContact CD1-CG1 3.59Å; Y815-I990 HydrophobicContact CE1-CD1 4.23Å; Y815-I990 HydrophobicContact CE1-CG1 3.97Å
816P93.6Very high91.1Very high22 Ų2260.3 Ų60.314%0.14331%0.307CS..  trans-68.2121.7175.127.4-32.8000109.9I821 L838 V982 I990P816-I821 HydrophobicContact CB-CG2 3.76Å; P816-I821 HydrophobicContact CG-CG2 3.6Å; P816-L838 HydrophobicContact CG-CD1 3.78Å; P816-V982 HydrophobicContact CB-CG2 4.38Å; P816-V982 HydrophobicContact CG-CG2 4.28Å; P816-I990 HydrophobicContact CG-CD1 3.96Å
817K89.6Confident91.3Very high106 Ų10655.6 Ų55.646%0.46129%0.294SS..  trans-86.5-20.2-177.1-59.4177.4-173.6176.40112.3P811 D813 Y815P811-K817 HydrophobicContact CG-CD 4.43Å; P811-K817 HydrophobicContact CG-CG 4.17Å; D813-K817 IonicContact OD1-NZ 3.53Å; D813-K817 PolarHBondContact OD1-NZ 2.87Å; Y815-K817 PolarHBondContact O-N 3.1Å
818N90.4Very high91.6Very high127 Ų12752 Ų5268%0.67928%0.275SS*.SBendtrans-159.6179172.458.350.4000110.3
819G94.1Very high91.9Very high33 Ų3353.3 Ų53.334%0.3428%0.279SS..EExtended strand (participates in β ladder)trans94.3-177.1170.700000115.6V981 V982G819-V981 WeakPolarHBondContact O-CA 3.47Å; G819-V982 PolarHBondContact O-N 2.88Å
820L95.6Very high92.1Very high117 Ų11752.8 Ų52.861%0.61328%0.277SS*.EExtended strand (participates in β ladder)trans-82129.7176.3-178.571.7000110H979 V981L820-H979 HydrophobicContact CD1-CB 4.3Å; L820-V981 HydrophobicContact CD1-CG2 4.03Å
821I96.3Very high92.3Very high10 Ų1046.4 Ų46.45%0.05124%0.244CC..EExtended strand (participates in β ladder)trans-116.3142.6175.357.1163.6000110.9P816 F823 L838 L940 H979 A980 V982 I990P816-I821 HydrophobicContact CB-CG2 3.76Å; P816-I821 HydrophobicContact CG-CG2 3.6Å; I821-F823 HydrophobicContact CD1-CD1 3.89Å; I821-F823 HydrophobicContact CD1-CE1 4.16Å; I821-F823 HydrophobicContact CG1-CD1 4.06Å; I821-F823 HydrophobicContact CG1-CE1 4.3Å; I821-L838 HydrophobicContact CB-CD2 4.17Å; I821-L838 HydrophobicContact CD1-CD2 4.1Å; I821-L838 HydrophobicContact CG2-CD2 4.48Å; I821-L940 HydrophobicContact CD1-CD1 4.04Å; I821-H979 WeakPolarHBondContact O-CA 3.22Å; I821-H979 WeakPolarHBondContact O-CB 3.33Å; I821-A980 HydrophobicContact CG1-CB 4.27Å; I821-A980 VanDerWaalsContact CG1-O 3.3Å; I821-A980 WeakPolarHBondContact CG1-O 3.39Å; I821-A980 PolarHBondContact N-O 3.27Å; I821-A980 PolarHBondContact O-N 3.1Å; I821-A980 VanDerWaalsContact O-N 3.16Å; I821-V982 HydrophobicContact CD1-CG2 3.99Å; I821-V982 HydrophobicContact CG1-CG2 4.04Å; I821-V982 HydrophobicContact CG2-CG2 3.7Å; I821-I990 HydrophobicContact CD1-CG2 4.5Å
822R95.5Very high92.5Very high123 Ų12346.3 Ų46.346%0.46424%0.243SC..EExtended strand (participates in β ladder)trans-112.4132.8167.9-59.3179.3-72.8-145.74.6110S839 D840 F978 H979R822-S839 PolarHBondContact O-N 3.38Å; R822-D840 WeakPolarHBondContact CB-OD2 3.43Å; R822-D840 IonicContact CZ-OD1 2.98Å; R822-D840 VanDerWaalsContact CZ-OD1 3.3Å; R822-D840 IonicContact CZ-OD2 3.24Å; R822-D840 IonicContact NE-OD1 2.77Å; R822-D840 PolarHBondContact NE-OD1 3.35Å; R822-D840 VanDerWaalsContact NE-OD1 3.12Å; R822-D840 IonicContact NE-OD2 2.76Å; R822-D840 PolarHBondContact NE-OD2 2.94Å; R822-D840 IonicContact NH2-OD1 3.95Å; R822-D840 PolarHBondContact NH2-OD1 3.34Å; R822-D840 IonicContact NH2-OD2 3.76Å; R822-F978 WeakPolarHBondContact CA-O 3.2Å; R822-H979 HydrophobicContact CG-CB 4.4Å
823F94.6Very high92.7Very high0 Ų045.1 Ų45.10%024%0.237CC..EExtended strand (participates in β ladder)trans-148.5162.8-171.460.7-90.6000113.6I821 V825 V836 R837 L838 L940 F978 A980 I995I821-F823 HydrophobicContact CD1-CD1 3.89Å; I821-F823 HydrophobicContact CD1-CE1 4.16Å; I821-F823 HydrophobicContact CG1-CD1 4.06Å; I821-F823 HydrophobicContact CG1-CE1 4.3Å; F823-V825 HydrophobicContact CD2-CG2 4.22Å; F823-V825 HydrophobicContact CE2-CG2 3.94Å; F823-V836 HydrophobicContact CB-CB 4.17Å; F823-V836 HydrophobicContact CB-CG2 4.35Å; F823-V836 HydrophobicContact CD2-CB 3.68Å; F823-V836 HydrophobicContact CD2-CG1 3.54Å; F823-V836 HydrophobicContact CD2-CG2 4.3Å; F823-V836 HydrophobicContact CE2-CB 4.39Å; F823-V836 HydrophobicContact CE2-CG1 3.76Å; F823-V836 HydrophobicContact CG-CB 4.14Å; F823-V836 HydrophobicContact CG-CG1 4.39Å; F823-V836 HydrophobicContact CG-CG2 4.36Å; F823-R837 CarbonylContact C-O 3.29Å; F823-R837 WeakPolarHBondContact CA-O 3.37Å; F823-R837 WeakPolarHBondContact CB-O 3.41Å; F823-L838 HydrophobicContact CB-CD2 4.13Å; F823-L940 HydrophobicContact CD1-CD2 4.28Å; F823-L940 HydrophobicContact CD2-CD2 4.24Å; F823-L940 HydrophobicContact CE1-CD2 3.69Å; F823-L940 HydrophobicContact CE2-CD2 3.63Å; F823-L940 HydrophobicContact CZ-CD2 3.31Å; F823-F978 WeakPolarHBondContact CD1-O 3.42Å; F823-F978 HydrophobicContact CD2-CB 4.03Å; F823-F978 HydrophobicContact CE1-CB 4.32Å; F823-F978 HydrophobicContact CE2-CB 3.55Å; F823-F978 HydrophobicContact CE2-CG 4.44Å; F823-F978 HydrophobicContact CZ-CB 3.72Å; F823-F978 PolarHBondContact N-O 3.24Å; F823-F978 PolarHBondContact O-N 3.4Å; F823-A980 HydrophobicContact CE1-CB 3.81Å; F823-A980 HydrophobicContact CZ-CB 4.4Å; F823-I995 HydrophobicContact CE2-CG2 4.35Å; F823-I995 HydrophobicContact CZ-CB 4.48Å; F823-I995 HydrophobicContact CZ-CD1 4.11Å; F823-I995 HydrophobicContact CZ-CG1 4.07Å; F823-I995 HydrophobicContact CZ-CG2 3.73Å
824L92.5Very high93Very high20 Ų2038.5 Ų38.511%0.10520%0.201CC..EExtended strand (participates in β ladder)trans-110.3130.2172-176.558.5000108.6L826 V836 R837 P852 R976L824-L826 PolarHBondContact O-N 3.02Å; L824-V836 CarbonylContact O-C 3.59Å; L824-V836 WeakPolarHBondContact O-CA 3.33Å; L824-R837 PolarHBondContact N-O 2.81Å; L824-R837 PolarHBondContact O-N 2.86Å; L824-P852 HydrophobicContact CD2-CB 3.58Å; L824-P852 HydrophobicContact CD2-CG 3.55Å; L824-P852 HydrophobicContact CG-CG 4.42Å; L824-R976 WeakPolarHBondContact CD1-O 3.38Å
825V92.1Very high93.2Very high27 Ų2736 Ų3616%0.16419%0.19CC..EExtended strand (participates in β ladder)trans-77.3119176.7179.60000109.3F823 L834 V836 F967 F978F823-V825 HydrophobicContact CD2-CG2 4.22Å; F823-V825 HydrophobicContact CE2-CG2 3.94Å; V825-L834 HydrophobicContact CG2-CD1 4.12Å; V825-V836 HydrophobicContact CG2-CG1 4.35Å; V825-F967 HydrophobicContact CG2-CD1 3.96Å; V825-F967 HydrophobicContact CG2-CE1 3.77Å; V825-F967 HydrophobicContact CG2-CZ 4.3Å; V825-F978 HydrophobicContact CG2-CD2 3.85Å; V825-F978 HydrophobicContact CG2-CE2 4.21Å; V825-F978 HydrophobicContact CG2-CG 4.32Å
826L90.3Very high93.3Very high23 Ų2335.7 Ų35.712%0.1219%0.189CC..EExtended strand (participates in β ladder)trans-86.9-51.8176.9-54.6174.4000110.2L824 A835 R837 F851 T911 A937L824-L826 PolarHBondContact O-N 3.02Å; L826-A835 HydrophobicContact CB-CB 4.4Å; L826-A835 WeakPolarHBondContact CB-O 3.35Å; L826-A835 PolarHBondContact N-O 3.28Å; L826-R837 HydrophobicContact CD1-CB 4.08Å; L826-R837 HydrophobicContact CD2-CB 4.12Å; L826-R837 HydrophobicContact CG-CB 4.21Å; L826-F851 HydrophobicContact CD2-CZ 4.07Å; L826-T911 WeakPolarHBondContact CB-O 3.28Å; L826-A937 HydrophobicContact CD1-CB 3.83Å
827V90.8Very high93.3Very high40 Ų4034.8 Ų34.824%0.24218%0.183CC..EExtended strand (participates in β ladder)trans-137.4142.7179.9-166.60000109.8Y829 L834 A835V827-Y829 HydrophobicContact CB-CD1 4.26Å; V827-Y829 HydrophobicContact CB-CE1 3.74Å; V827-Y829 HydrophobicContact CG1-CD1 3.67Å; V827-Y829 HydrophobicContact CG1-CE1 3.5Å; V827-Y829 HydrophobicContact CG2-CE1 4.5Å; V827-L834 CarbonylContact O-C 3.59Å; V827-L834 WeakPolarHBondContact O-CA 3.19Å; V827-A835 HydrophobicContact CB-CB 4.13Å; V827-A835 HydrophobicContact CG2-CB 4.37Å; V827-A835 PolarHBondContact N-O 2.7Å; V827-A835 VanDerWaalsContact N-O 3.15Å; V827-A835 PolarHBondContact O-N 3.49Å
828C92.2Very high93.6Very high9 Ų930 Ų306%0.06116%0.162CC..EExtended strand (participates in β ladder)trans-111.2103.5172.2169.80000108L834 R959 R963 F967C828-L834 HydrophobicContact CB-CD2 3.82Å; C828-R959 WeakPolarHBondContact O-CD 3.32Å; C828-R959 WeakPolarHBondContact O-CG 3.46Å; C828-R963 HydrophobicContact CB-CB 4.43Å; C828-F967 HydrophobicContact CB-CD2 4.12Å; C828-F967 HydrophobicContact CB-CE2 4.06Å
829Y91.2Very high93.6Very high49 Ų4924.8 Ų24.819%0.19214%0.135CC..EExtended strand (participates in β ladder)trans-80.2-36-179.8-49.2-52000112V827 A833 A835 S912 T913 E914 R959V827-Y829 HydrophobicContact CB-CD1 4.26Å; V827-Y829 HydrophobicContact CB-CE1 3.74Å; V827-Y829 HydrophobicContact CG1-CD1 3.67Å; V827-Y829 HydrophobicContact CG1-CE1 3.5Å; V827-Y829 HydrophobicContact CG2-CE1 4.5Å; Y829-A833 WeakPolarHBondContact CB-O 3.48Å; Y829-A833 PolarHBondContact N-O 3.02Å; Y829-A835 HydrophobicContact CE2-CB 4.05Å; Y829-A835 WeakPolarHBondContact OH-CB 3.39Å; Y829-S912 PolarHBondContact OH-OG 3.11Å; Y829-T913 WeakPolarHBondContact OH-CA 3.2Å; Y829-T913 PolarHBondContact OH-N 2.96Å; Y829-T913 PolarHBondContact OH-OG1 2.99Å; Y829-E914 HydrophobicContact CD1-CG 4.12Å; Y829-E914 HydrophobicContact CE1-CG 3.48Å; Y829-E914 VanDerWaalsContact CE1-CG 3.48Å; Y829-E914 PolarHBondContact OH-N 3.27Å; Y829-R959 WeakPolarHBondContact O-CD 3.33Å; Y829-R959 WeakPolarHBondContact O-CG 3.39Å
830S92.3Very high93.5Very high15 Ų1527.6 Ų27.611%0.10514%0.143CC..EExtended strand (participates in β ladder)trans-156170175.576.80000110.3A832 A833 W954S830-A832 PolarHBondContact O-N 3.46Å; S830-A832 PolarHBondContact OG-N 2.87Å; S830-A833 PolarHBondContact N-O 2.9Å; S830-A833 PolarHBondContact O-N 2.93Å; S830-A833 PolarHBondContact OG-N 3.43Å; S830-A833 VanDerWaalsContact OG-N 3.11Å; S830-W954 VanDerWaalsContact CB-CD1 3.49Å
831P93.1Very high93.2Very high2 Ų226.1 Ų26.11%0.01313%0.132CC..THydrogen-bonded Turntrans-52.2-18.3168.9-30.539.1000115.8W954 A958 V962 V1007P831-W954 HydrophobicContact CB-CD2 4.17Å; P831-W954 HydrophobicContact CB-CE3 4.06Å; P831-W954 HydrophobicContact CB-CH2 4.04Å; P831-W954 HydrophobicContact CB-CZ2 4.18Å; P831-W954 HydrophobicContact CB-CZ3 3.99Å; P831-W954 HydrophobicContact CG-CD2 3.86Å; P831-W954 HydrophobicContact CG-CE3 3.59Å; P831-W954 HydrophobicContact CG-CG 4.38Å; P831-W954 HydrophobicContact CG-CH2 4.45Å; P831-W954 HydrophobicContact CG-CZ3 3.91Å; P831-A958 HydrophobicContact CG-CB 3.86Å; P831-V962 HydrophobicContact CB-CG2 4.08Å; P831-V962 HydrophobicContact CG-CG2 4Å; P831-V1007 HydrophobicContact CB-CG1 3.97Å; P831-V1007 HydrophobicContact CB-CG2 3.79Å
832A94Very high93.1Very high10 Ų1026.9 Ų26.98%0.08314%0.136CC..THydrogen-bonded Turntrans-119.1-0.3-17700000114.8S830 R941 I942 L945 W954S830-A832 PolarHBondContact O-N 3.46Å; S830-A832 PolarHBondContact OG-N 2.87Å; A832-R941 VanDerWaalsContact O-CA 3.25Å; A832-R941 WeakPolarHBondContact O-CA 3.2Å; A832-I942 PolarHBondContact O-N 2.93Å; A832-L945 HydrophobicContact CB-CB 4.01Å; A832-L945 HydrophobicContact CB-CD2 3.96Å; A832-L945 HydrophobicContact CB-CG 3.94Å; A832-L945 VanDerWaalsContact CB-O 3.25Å; A832-L945 WeakPolarHBondContact CB-O 3.49Å; A832-W954 HydrophobicContact CB-CZ2 4.23Å
833A94.6Very high92.9Very high14 Ų1424.2 Ų24.212%0.11613%0.134CC..EExtended strand (participates in β ladder)trans-148.4130.3-176.200000112.6Y829 S830 L940 R941Y829-A833 WeakPolarHBondContact CB-O 3.48Å; Y829-A833 PolarHBondContact N-O 3.02Å; S830-A833 PolarHBondContact N-O 2.9Å; S830-A833 PolarHBondContact O-N 2.93Å; S830-A833 PolarHBondContact OG-N 3.43Å; S830-A833 VanDerWaalsContact OG-N 3.11Å; A833-L940 WeakPolarHBondContact CA-O 3.44Å; A833-R941 HydrophobicContact CB-CG 4.02Å
834L95.5Very high92.6Very high3 Ų326.4 Ų26.42%0.01615%0.148CC..EExtended strand (participates in β ladder)trans-137151.6-171.2-47.9174.8000110.8V825 V827 C828 V836 L940 F967 I995V825-L834 HydrophobicContact CG2-CD1 4.12Å; V827-L834 CarbonylContact O-C 3.59Å; V827-L834 WeakPolarHBondContact O-CA 3.19Å; C828-L834 HydrophobicContact CB-CD2 3.82Å; L834-V836 HydrophobicContact CB-CG1 3.86Å; L834-V836 HydrophobicContact CD1-CG1 4.27Å; L834-L940 PolarHBondContact N-O 3.1Å; L834-L940 PolarHBondContact O-N 3.31Å; L834-F967 HydrophobicContact CD1-CE1 4.31Å; L834-F967 HydrophobicContact CD1-CE2 4.37Å; L834-F967 HydrophobicContact CD1-CZ 3.64Å; L834-F967 HydrophobicContact CD2-CE2 3.62Å; L834-F967 HydrophobicContact CD2-CZ 3.73Å; L834-F967 HydrophobicContact CG-CZ 4.37Å; L834-I995 HydrophobicContact CD1-CD1 3.5Å
835A95.3Very high92.5Very high0 Ų027.8 Ų27.80%016%0.162CC..EExtended strand (participates in β ladder)trans-91.9129.4153.400000109.5L826 V827 Y829 T913 M938L826-A835 HydrophobicContact CB-CB 4.4Å; L826-A835 WeakPolarHBondContact CB-O 3.35Å; L826-A835 PolarHBondContact N-O 3.28Å; V827-A835 HydrophobicContact CB-CB 4.13Å; V827-A835 HydrophobicContact CG2-CB 4.37Å; V827-A835 PolarHBondContact N-O 2.7Å; V827-A835 VanDerWaalsContact N-O 3.15Å; V827-A835 PolarHBondContact O-N 3.49Å; Y829-A835 HydrophobicContact CE2-CB 4.05Å; Y829-A835 WeakPolarHBondContact OH-CB 3.39Å; A835-T913 HydrophobicContact CB-CG2 4.44Å; A835-M938 WeakPolarHBondContact CA-O 3.49Å
836V95.3Very high92.3Very high0 Ų029.7 Ų29.70%017%0.17CC..EExtended strand (participates in β ladder)trans-130.8158.5-178.3-53.80000111.1F823 L824 V825 L834 M938 L940F823-V836 HydrophobicContact CB-CB 4.17Å; F823-V836 HydrophobicContact CB-CG2 4.35Å; F823-V836 HydrophobicContact CD2-CB 3.68Å; F823-V836 HydrophobicContact CD2-CG1 3.54Å; F823-V836 HydrophobicContact CD2-CG2 4.3Å; F823-V836 HydrophobicContact CE2-CB 4.39Å; F823-V836 HydrophobicContact CE2-CG1 3.76Å; F823-V836 HydrophobicContact CG-CB 4.14Å; F823-V836 HydrophobicContact CG-CG1 4.39Å; F823-V836 HydrophobicContact CG-CG2 4.36Å; L824-V836 CarbonylContact O-C 3.59Å; L824-V836 WeakPolarHBondContact O-CA 3.33Å; V825-V836 HydrophobicContact CG2-CG1 4.35Å; L834-V836 HydrophobicContact CB-CG1 3.86Å; L834-V836 HydrophobicContact CD1-CG1 4.27Å; V836-M938 HydrophobicContact CG2-CB 4.34Å; V836-M938 PolarHBondContact N-O 2.72Å; V836-M938 PolarHBondContact O-N 3.48Å; V836-L940 HydrophobicContact CB-CB 4.5Å; V836-L940 HydrophobicContact CG1-CB 3.89Å; V836-L940 HydrophobicContact CG1-CD2 3.84Å; V836-L940 HydrophobicContact CG2-CB 3.75Å; V836-L940 HydrophobicContact CG2-CD2 4.16Å; V836-L940 HydrophobicContact CG2-CG 4.49Å
837R94.7Very high92Very high3 Ų332.5 Ų32.51%0.01118%0.179CC..EExtended strand (participates in β ladder)trans-121.7127.4168.7-177168.879.8-173.9-0.3110.5F823 L824 L826 S839 F842 P843 T844 M853 S854 E936F823-R837 CarbonylContact C-O 3.29Å; F823-R837 WeakPolarHBondContact CA-O 3.37Å; F823-R837 WeakPolarHBondContact CB-O 3.41Å; L824-R837 PolarHBondContact N-O 2.81Å; L824-R837 PolarHBondContact O-N 2.86Å; L826-R837 HydrophobicContact CD1-CB 4.08Å; L826-R837 HydrophobicContact CD2-CB 4.12Å; L826-R837 HydrophobicContact CG-CB 4.21Å; R837-S839 PolarHBondContact O-N 3.45Å; R837-F842 HydrophobicContact CG-CB 3.61Å; R837-F842 HydrophobicContact CG-CD2 4.26Å; R837-F842 HydrophobicContact CG-CG 4.34Å; R837-F842 PolarHBondContact NE-O 3.25Å; R837-F842 VanDerWaalsContact NE-O 3.07Å; R837-P843 PolarHBondContact NH2-O 2.69Å; R837-T844 PolarHBondContact NH2-OG1 3.38Å; R837-M853 PolarHBondContact NH2-O 2.87Å; R837-S854 VanDerWaalsContact NH1-N 3.11Å; R837-E936 WeakPolarHBondContact CD-OE2 3.34Å; R837-E936 HydrophobicContact CG-CB 4.2Å; R837-E936 IonicContact CZ-OE2 3.12Å; R837-E936 IonicContact NE-OE2 2.68Å; R837-E936 IonicContact NH1-OE2 3.52Å; R837-E936 PolarHBondContact NH1-OE2 3.36Å
838L94.9Very high91.6Very high6 Ų633.5 Ų33.53%0.03118%0.181CC..EExtended strand (participates in β ladder)trans-67.8117.4178.3-57.2-175.3000109.9P816 I821 F823 D840 Q841 F842 M938P816-L838 HydrophobicContact CG-CD1 3.78Å; I821-L838 HydrophobicContact CB-CD2 4.17Å; I821-L838 HydrophobicContact CD1-CD2 4.1Å; I821-L838 HydrophobicContact CG2-CD2 4.48Å; F823-L838 HydrophobicContact CB-CD2 4.13Å; L838-D840 VanDerWaalsContact C-N 3.29Å; L838-D840 PolarHBondContact O-N 2.86Å; L838-Q841 HydrophobicContact CB-CB 4.29Å; L838-Q841 HydrophobicContact CB-CG 4.42Å; L838-Q841 HydrophobicContact CD1-CG 4.5Å; L838-Q841 PolarHBondContact O-N 2.86Å; L838-F842 PolarHBondContact O-N 3.25Å; L838-M938 HydrophobicContact CD1-CE 3.81Å; L838-M938 HydrophobicContact CD1-SD 3.57Å; L838-M938 VanDerWaalsContact CD1-SD 3.57Å; L838-M938 HydrophobicContact CD2-SD 4.36Å; L838-M938 HydrophobicContact CG-CE 4.22Å; L838-M938 HydrophobicContact CG-SD 3.69Å
839S91.6Very high91.1Very high16 Ų1638.4 Ų38.411%0.11221%0.206CC..THydrogen-bonded Turntrans-73.2-23.1-173.4-66.20000113.2R822 R837R822-S839 PolarHBondContact O-N 3.38Å; R837-S839 PolarHBondContact O-N 3.45Å
840D90.3Very high90.5Very high93 Ų9342.3 Ų42.350%0.49723%0.23SC..THydrogen-bonded Turntrans-81.6-21178.1-62.6-51000113.3R822 L838R822-D840 WeakPolarHBondContact CB-OD2 3.43Å; R822-D840 IonicContact CZ-OD1 2.98Å; R822-D840 VanDerWaalsContact CZ-OD1 3.3Å; R822-D840 IonicContact CZ-OD2 3.24Å; R822-D840 IonicContact NE-OD1 2.77Å; R822-D840 PolarHBondContact NE-OD1 3.35Å; R822-D840 VanDerWaalsContact NE-OD1 3.12Å; R822-D840 IonicContact NE-OD2 2.76Å; R822-D840 PolarHBondContact NE-OD2 2.94Å; R822-D840 IonicContact NH2-OD1 3.95Å; R822-D840 PolarHBondContact NH2-OD1 3.34Å; R822-D840 IonicContact NH2-OD2 3.76Å; L838-D840 VanDerWaalsContact C-N 3.29Å; L838-D840 PolarHBondContact O-N 2.86Å
841Q90.9Very high90Very high85 Ų8543.6 Ų43.640%0.39723%0.234SC..THydrogen-bonded Turntrans-101-40.9175.6-66.3-177.7-4.700112.1H814 L838 P843H814-Q841 PolarHBondContact O-NE2 2.75Å; H814-Q841 PolarHBondContact O-OE1 2.86Å; L838-Q841 HydrophobicContact CB-CB 4.29Å; L838-Q841 HydrophobicContact CB-CG 4.42Å; L838-Q841 HydrophobicContact CD1-CG 4.5Å; L838-Q841 PolarHBondContact O-N 2.86Å; Q841-P843 WeakPolarHBondContact O-CD 3.47Å
842F92.6Very high89.7Confident27 Ų2744.1 Ų44.112%0.11824%0.237CC..SBendtrans-127.876.7-172.6-50.9-69.5000109.7R837 L838 P934 E936 M938R837-F842 HydrophobicContact CG-CB 3.61Å; R837-F842 HydrophobicContact CG-CD2 4.26Å; R837-F842 HydrophobicContact CG-CG 4.34Å; R837-F842 PolarHBondContact NE-O 3.25Å; R837-F842 VanDerWaalsContact NE-O 3.07Å; L838-F842 PolarHBondContact O-N 3.25Å; F842-P934 HydrophobicContact CE1-CG 3.97Å; F842-P934 HydrophobicContact CZ-CG 4Å; F842-E936 HydrophobicContact CB-CG 4.27Å; F842-E936 HydrophobicContact CD1-CG 3.82Å; F842-E936 HydrophobicContact CD2-CB 4.46Å; F842-E936 HydrophobicContact CD2-CG 4.43Å; F842-E936 HydrophobicContact CE1-CG 4.26Å; F842-E936 HydrophobicContact CG-CB 4.33Å; F842-E936 HydrophobicContact CG-CG 3.91Å; F842-M938 HydrophobicContact CE2-CE 4.07Å
843P91.4Very high89.4Confident66 Ų6644.3 Ų44.343%0.42924%0.236SC..  trans-62.4163.2-178.726.6-35.1000112.1R837 Q841 A845R837-P843 PolarHBondContact NH2-O 2.69Å; Q841-P843 WeakPolarHBondContact O-CD 3.47Å; P843-A845 PolarHBondContact O-N 2.97Å
844T89.8Confident89.3Confident47 Ų4743.8 Ų43.829%0.28823%0.232SC..  trans-92.6102.2178.1-57.30000110.1R837 P852 M853R837-T844 PolarHBondContact NH2-OG1 3.38Å; T844-P852 HydrophobicContact CG2-CB 3.55Å; T844-M853 CarbonylContact C-O 3.57Å; T844-M853 VanDerWaalsContact CA-O 3.31Å; T844-M853 WeakPolarHBondContact CA-O 3.21Å
845A89.1Confident89.2Confident49 Ų4948 Ų4841%0.40525%0.254SS..  trans-73-47.8178.900000112.2P843 M853 D855P843-A845 PolarHBondContact O-N 2.97Å; A845-M853 PolarHBondContact N-O 2.98Å; A845-D855 WeakPolarHBondContact CB-OD1 3.5Å
846I88.3Confident89.1Confident66 Ų6648.4 Ų48.434%0.33826%0.256SS..EExtended strand (participates in β ladder)trans-142.2161.7-174.6-164.5165.2000111.9M853 E858I846-M853 HydrophobicContact CG2-CB 4.01Å; I846-M853 HydrophobicContact CG2-CE 3.73Å; I846-M853 PolarHBondContact O-N 3Å; I846-E858 VanDerWaalsContact CD1-OE1 3.28Å; I846-E858 WeakPolarHBondContact CD1-OE1 3.25Å; I846-E858 HydrophobicContact CG2-CB 3.99Å; I846-E858 HydrophobicContact CG2-CG 4.25Å
847R84.3Confident89Confident83 Ų8349 Ų4931%0.31326%0.263SS..EExtended strand (participates in β ladder)trans-115.9106.3169.3-74.2-176.7173.5-80.8-8.4111.5N850 F851 R974 N975R847-N850 PolarHBondContact NH1-O 3.01Å; R847-F851 CarbonylContact C-O 3.54Å; R847-F851 VanDerWaalsContact CA-O 3.25Å; R847-F851 WeakPolarHBondContact CA-O 3.48Å; R847-R974 PolarHBondContact NH2-O 2.92Å; R847-N975 PolarHBondContact NE-OD1 3.1Å; R847-N975 VanDerWaalsContact NE-OD1 3.13Å; R847-N975 PolarHBondContact NH2-OD1 2.77Å
848F83Confident88.9Confident61 Ų6150.4 Ų50.427%0.26827%0.269SS..EExtended strand (participates in β ladder)trans-98.7124177180-96.3000109.8N850 F851 M853 Q861 N888 R889F848-N850 PolarHBondContact O-N 2.86Å; F848-F851 PolarHBondContact N-O 3.2Å; F848-F851 WeakPolarHBondContact O-CB 3.35Å; F848-F851 PolarHBondContact O-N 3.18Å; F848-M853 HydrophobicContact CB-CE 3.59Å; F848-M853 HydrophobicContact CB-CG 4.34Å; F848-M853 HydrophobicContact CB-SD 3.77Å; F848-M853 HydrophobicContact CG-CE 4.24Å; F848-M853 HydrophobicContact CG-SD 4.38Å; F848-Q861 HydrophobicContact CE2-CG 4.46Å; F848-Q861 HydrophobicContact CZ-CG 4.43Å; F848-N888 WeakPolarHBondContact CE1-O 3.3Å; F848-R889 HydrophobicContact CD1-CG 3.92Å; F848-R889 HydrophobicContact CE1-CG 3.91Å
849L81.4Confident88.9Confident112 Ų11255.8 Ų55.859%0.58629%0.289SS*.THydrogen-bonded Turntrans49.141-173.2-56.5177.8000112.9F851 N888L849-F851 PolarHBondContact O-N 3.48Å; L849-N888 HydrophobicContact CD1-CB 3.62Å
850N79.1Confident89.1Confident130 Ų13055.1 Ų55.170%0.69528%0.284SS*.THydrogen-bonded Turntrans68.1-12.6-170.9-57.9-72.6000116.8R847 F848R847-N850 PolarHBondContact NH1-O 3.01Å; F848-N850 PolarHBondContact O-N 2.86Å
851F81.7Confident89.3Confident43 Ų4351.1 Ų51.119%0.18926%0.263CS..EExtended strand (participates in β ladder)trans-74.7134.3178.5-168.2-86.6000111.7L826 R847 F848 L849 M853 R889 T911L826-F851 HydrophobicContact CD2-CZ 4.07Å; R847-F851 CarbonylContact C-O 3.54Å; R847-F851 VanDerWaalsContact CA-O 3.25Å; R847-F851 WeakPolarHBondContact CA-O 3.48Å; F848-F851 PolarHBondContact N-O 3.2Å; F848-F851 WeakPolarHBondContact O-CB 3.35Å; F848-F851 PolarHBondContact O-N 3.18Å; L849-F851 PolarHBondContact O-N 3.48Å; F851-M853 HydrophobicContact CD1-CG 4.3Å; F851-M853 PolarHBondContact O-N 3.23Å; F851-R889 VanDerWaalsContact CE2-NH1 3.26Å; F851-R889 VanDerWaalsContact CZ-NH1 3.32Å; F851-T911 HydrophobicContact CE1-CG2 3.63Å; F851-T911 HydrophobicContact CZ-CG2 3.86Å
852P85.6Confident89.4Confident13 Ų1354.9 Ų54.98%0.08427%0.273CS..EExtended strand (participates in β ladder)trans-74.2120.5178.531-34.1000111.8L824 T844L824-P852 HydrophobicContact CD2-CB 3.58Å; L824-P852 HydrophobicContact CD2-CG 3.55Å; L824-P852 HydrophobicContact CG-CG 4.42Å; T844-P852 HydrophobicContact CG2-CB 3.55Å
853M88.8Confident89.5Confident14 Ų1455.7 Ų55.77%0.06928%0.277CS..EExtended strand (participates in β ladder)trans-111161.4173.8-54.2-162.4-46.300110.7R837 T844 A845 I846 F848 F851 E858 Q861R837-M853 PolarHBondContact NH2-O 2.87Å; T844-M853 CarbonylContact C-O 3.57Å; T844-M853 VanDerWaalsContact CA-O 3.31Å; T844-M853 WeakPolarHBondContact CA-O 3.21Å; A845-M853 PolarHBondContact N-O 2.98Å; I846-M853 HydrophobicContact CG2-CB 4.01Å; I846-M853 HydrophobicContact CG2-CE 3.73Å; I846-M853 PolarHBondContact O-N 3Å; F848-M853 HydrophobicContact CB-CE 3.59Å; F848-M853 HydrophobicContact CB-CG 4.34Å; F848-M853 HydrophobicContact CB-SD 3.77Å; F848-M853 HydrophobicContact CG-CE 4.24Å; F848-M853 HydrophobicContact CG-SD 4.38Å; F851-M853 HydrophobicContact CD1-CG 4.3Å; F851-M853 PolarHBondContact O-N 3.23Å; M853-E858 HydrophobicContact CE-CB 4.2Å; M853-Q861 HydrophobicContact CE-CB 4.16Å
854S92.6Very high89.7Confident2 Ų252.5 Ų52.51%0.01426%0.257CS..  trans-98.8-179.9171.656.80000110R837 L856 G857 E858 E936R837-S854 VanDerWaalsContact NH1-N 3.11Å; S854-L856 PolarHBondContact O-N 3.47Å; S854-L856 PolarHBondContact OG-N 3.26Å; S854-G857 PolarHBondContact O-N 2.74Å; S854-G857 PolarHBondContact OG-N 3.19Å; S854-E858 VanDerWaalsContact O-CB 3.32Å; S854-E858 WeakPolarHBondContact O-CB 3.33Å; S854-E858 PolarHBondContact O-N 3.36Å; S854-E936 WeakPolarHBondContact CB-OE1 3.48Å; S854-E936 WeakPolarHBondContact CB-OE2 3.4Å; S854-E936 PolarHBondContact OG-OE1 2.93Å; S854-E936 PolarHBondContact OG-OE2 2.98Å
855D93Very high89.9Confident91 Ų9154 Ų5449%0.48726%0.26SS..Hα-helixtrans-61-26.3168.4-49.3-80.3000112.7A845 R859A845-D855 WeakPolarHBondContact CB-OD1 3.5Å; D855-R859 WeakPolarHBondContact O-CB 3.5Å; D855-R859 WeakPolarHBondContact O-CG 3.38Å; D855-R859 PolarHBondContact O-N 3.47Å; D855-R859 PolarHBondContact O-NE 2.98Å; D855-R859 VanDerWaalsContact O-NE 3.08Å
856L93.4Very high90.2Very high10 Ų1056.8 Ų56.85%0.05227%0.268CS..Hα-helixtrans-76.7-51.6173.2177.362.2000111.1S854 E858 R859 V860 F930 E936S854-L856 PolarHBondContact O-N 3.47Å; S854-L856 PolarHBondContact OG-N 3.26Å; L856-E858 PolarHBondContact O-N 2.93Å; L856-R859 PolarHBondContact O-N 2.96Å; L856-R859 VanDerWaalsContact O-N 3.11Å; L856-V860 HydrophobicContact CD1-CG2 4.19Å; L856-V860 WeakPolarHBondContact O-CG2 3.28Å; L856-V860 PolarHBondContact O-N 3.27Å; L856-F930 HydrophobicContact CD1-CD1 3.93Å; L856-E936 WeakPolarHBondContact CB-OE1 3.45Å
857G92.4Very high90.4Very high13 Ų1360.5 Ų60.513%0.13428%0.284CS..Hα-helixtrans-59.4-36.1177.600000112.6S854 Q861S854-G857 PolarHBondContact O-N 2.74Å; S854-G857 PolarHBondContact OG-N 3.19Å; G857-Q861 WeakPolarHBondContact O-CB 3.33Å; G857-Q861 PolarHBondContact O-N 2.95Å
858E93.4Very high90.8Very high31 Ų3160.5 Ų60.515%0.14530%0.302CS..Hα-helixtrans-67.4-45.1172.1177.8159.3-137.900112.9I846 M853 S854 L856 V860 Q861 R862I846-E858 VanDerWaalsContact CD1-OE1 3.28Å; I846-E858 WeakPolarHBondContact CD1-OE1 3.25Å; I846-E858 HydrophobicContact CG2-CB 3.99Å; I846-E858 HydrophobicContact CG2-CG 4.25Å; M853-E858 HydrophobicContact CE-CB 4.2Å; S854-E858 VanDerWaalsContact O-CB 3.32Å; S854-E858 WeakPolarHBondContact O-CB 3.33Å; S854-E858 PolarHBondContact O-N 3.36Å; L856-E858 PolarHBondContact O-N 2.93Å; E858-V860 VanDerWaalsContact C-N 3.34Å; E858-V860 PolarHBondContact O-N 2.99Å; E858-Q861 PolarHBondContact O-N 3.26Å; E858-R862 VanDerWaalsContact CD-NE 3.35Å; E858-R862 HydrophobicContact CG-CG 4.15Å; E858-R862 VanDerWaalsContact CG-NE 3.31Å; E858-R862 WeakPolarHBondContact O-CB 3.17Å; E858-R862 VanDerWaalsContact O-CG 3.28Å; E858-R862 WeakPolarHBondContact O-CG 3.25Å; E858-R862 PolarHBondContact O-N 3.44Å; E858-R862 IonicContact OE1-CZ 3.13Å; E858-R862 IonicContact OE1-NE 3.79Å; E858-R862 PolarHBondContact OE1-NE 3.3Å; E858-R862 IonicContact OE1-NH2 3.91Å; E858-R862 PolarHBondContact OE1-NH2 2.87Å; E858-R862 IonicContact OE2-NH2 2.69Å
859R94.6Very high91.3Very high119 Ų11959.6 Ų59.645%0.44930%0.3SS..Hα-helixtrans-62.2-41176-75.9-179.9-59141.22.6112D855 L856 H863 F930D855-R859 WeakPolarHBondContact O-CB 3.5Å; D855-R859 WeakPolarHBondContact O-CG 3.38Å; D855-R859 PolarHBondContact O-N 3.47Å; D855-R859 PolarHBondContact O-NE 2.98Å; D855-R859 VanDerWaalsContact O-NE 3.08Å; L856-R859 PolarHBondContact O-N 2.96Å; L856-R859 VanDerWaalsContact O-N 3.11Å; R859-H863 VanDerWaalsContact O-CB 3.23Å; R859-H863 WeakPolarHBondContact O-CB 3.34Å; R859-H863 PolarHBondContact O-N 2.93Å; R859-F930 HydrophobicContact CB-CE1 3.84Å; R859-F930 HydrophobicContact CB-CZ 4.22Å
860V94.8Very high91.9Very high2 Ų257 Ų571%0.01228%0.282CS..Hα-helixtrans-62.3-50.3175.3173.30000110.5L856 E858 R862 H863 Y864 R892 F930L856-V860 HydrophobicContact CD1-CG2 4.19Å; L856-V860 WeakPolarHBondContact O-CG2 3.28Å; L856-V860 PolarHBondContact O-N 3.27Å; E858-V860 VanDerWaalsContact C-N 3.34Å; E858-V860 PolarHBondContact O-N 2.99Å; V860-R862 PolarHBondContact O-N 2.72Å; V860-H863 PolarHBondContact O-N 3.17Å; V860-Y864 HydrophobicContact CG1-CD2 4.05Å; V860-Y864 HydrophobicContact CG1-CE2 4.39Å; V860-Y864 WeakPolarHBondContact O-CD2 3.42Å; V860-Y864 PolarHBondContact O-N 2.52Å; V860-Y864 VanDerWaalsContact O-N 3.07Å; V860-R892 HydrophobicContact CG1-CG 4.44Å; V860-R892 HydrophobicContact CG2-CG 4.14Å; V860-F930 HydrophobicContact CG2-CB 4.37Å; V860-F930 HydrophobicContact CG2-CD1 3.83Å; V860-F930 HydrophobicContact CG2-CD2 3.92Å; V860-F930 HydrophobicContact CG2-CE1 4.04Å; V860-F930 HydrophobicContact CG2-CE2 4.12Å; V860-F930 HydrophobicContact CG2-CG 3.78Å; V860-F930 HydrophobicContact CG2-CZ 4.18Å
861Q94.6Very high92.6Very high9 Ų956.4 Ų56.44%0.04228%0.275CS..Hα-helixtrans-57.5-52.5177.3-173.373.432.700111.4F848 M853 G857 E858 H863 Y864 E865 N888F848-Q861 HydrophobicContact CE2-CG 4.46Å; F848-Q861 HydrophobicContact CZ-CG 4.43Å; M853-Q861 HydrophobicContact CE-CB 4.16Å; G857-Q861 WeakPolarHBondContact O-CB 3.33Å; G857-Q861 PolarHBondContact O-N 2.95Å; E858-Q861 PolarHBondContact O-N 3.26Å; Q861-H863 VanDerWaalsContact C-N 3.27Å; Q861-H863 PolarHBondContact O-N 2.86Å; Q861-Y864 PolarHBondContact O-N 3.35Å; Q861-E865 PolarHBondContact NE2-OE2 2.76Å; Q861-E865 WeakPolarHBondContact O-CB 3.04Å; Q861-E865 PolarHBondContact O-N 3.31Å; Q861-N888 PolarHBondContact NE2-O 2.6Å
862R93.6Very high93.1Very high164 Ų16459.8 Ų59.862%0.61929%0.293SS*.Hα-helixtrans-60.5-34.9-179-71.4177.7-177.9-162.78.3112.4E858 V860E858-R862 VanDerWaalsContact CD-NE 3.35Å; E858-R862 HydrophobicContact CG-CG 4.15Å; E858-R862 VanDerWaalsContact CG-NE 3.31Å; E858-R862 WeakPolarHBondContact O-CB 3.17Å; E858-R862 VanDerWaalsContact O-CG 3.28Å; E858-R862 WeakPolarHBondContact O-CG 3.25Å; E858-R862 PolarHBondContact O-N 3.44Å; E858-R862 IonicContact OE1-CZ 3.13Å; E858-R862 IonicContact OE1-NE 3.79Å; E858-R862 PolarHBondContact OE1-NE 3.3Å; E858-R862 IonicContact OE1-NH2 3.91Å; E858-R862 PolarHBondContact OE1-NH2 2.87Å; E858-R862 IonicContact OE2-NH2 2.69Å; V860-R862 PolarHBondContact O-N 2.72Å
863H95.4Very high93.3Very high44 Ų4459.5 Ų59.520%0.20429%0.29CS..Hα-helixtrans-71.3-51.7179.3-17688.1000112.1R859 V860 Q861 L866 N869 F930R859-H863 VanDerWaalsContact O-CB 3.23Å; R859-H863 WeakPolarHBondContact O-CB 3.34Å; R859-H863 PolarHBondContact O-N 2.93Å; V860-H863 PolarHBondContact O-N 3.17Å; Q861-H863 VanDerWaalsContact C-N 3.27Å; Q861-H863 PolarHBondContact O-N 2.86Å; H863-L866 PolarHBondContact O-N 3.13Å; H863-N869 WeakPolarHBondContact O-CB 3.41Å; H863-N869 PolarHBondContact O-ND2 3.47Å; H863-F930 HydrophobicContact CB-CE2 3.79Å; H863-F930 HydrophobicContact CB-CZ 3.84Å; H863-F930 AromaticContact CD2-CE2 3.89Å; H863-F930 AromaticContact CG-CE2 3.78Å
864Y95.4Very high93.1Very high0 Ų064.4 Ų64.40%032%0.323CS..Hα-helixtrans-83.5-10.6-174.7-71.3-82.4000114.6V860 Q861 L866 R870 V883 Y890 S925 C926 V927 F930V860-Y864 HydrophobicContact CG1-CD2 4.05Å; V860-Y864 HydrophobicContact CG1-CE2 4.39Å; V860-Y864 WeakPolarHBondContact O-CD2 3.42Å; V860-Y864 PolarHBondContact O-N 2.52Å; V860-Y864 VanDerWaalsContact O-N 3.07Å; Q861-Y864 PolarHBondContact O-N 3.35Å; Y864-L866 PolarHBondContact O-N 3.08Å; Y864-R870 WeakPolarHBondContact O-CG 3.49Å; Y864-R870 PolarHBondContact O-NE 3.14Å; Y864-V883 HydrophobicContact CD1-CG1 4.43Å; Y864-V883 HydrophobicContact CD2-CG1 3.99Å; Y864-V883 HydrophobicContact CD2-CG2 4.44Å; Y864-V883 HydrophobicContact CE1-CB 4.44Å; Y864-V883 HydrophobicContact CE2-CB 4.25Å; Y864-V883 HydrophobicContact CE2-CG1 4.1Å; Y864-V883 HydrophobicContact CE2-CG2 3.75Å; Y864-V883 HydrophobicContact CG-CG1 4.17Å; Y864-Y890 VanDerWaalsContact CB-CD1 3.44Å; Y864-Y890 VanDerWaalsContact CB-CG 3.4Å; Y864-Y890 HydrophobicContact CG-CD1 4.27Å; Y864-Y890 HydrophobicContact CG-CG 4.42Å; Y864-Y890 WeakPolarHBondContact O-CE2 3.49Å; Y864-Y890 VanDerWaalsContact O-CZ 3.26Å; Y864-Y890 PolarHBondContact O-OH 3.31Å; Y864-S925 PolarHBondContact OH-O 2.8Å; Y864-C926 WeakPolarHBondContact OH-CA 3.26Å; Y864-V927 PolarHBondContact OH-N 2.77Å; Y864-V927 VanDerWaalsContact OH-N 3.15Å; Y864-F930 HydrophobicContact CD2-CE2 4.46Å; Y864-F930 AromaticContact CE2-CD2 3.9Å; Y864-F930 HydrophobicContact CE2-CD2 3.9Å; Y864-F930 AromaticContact CE2-CE2 3.88Å; Y864-F930 HydrophobicContact CE2-CE2 3.88Å
865E93.9Very high92.9Very high77 Ų7769.9 Ų69.936%0.3635%0.352SS..THydrogen-bonded Turntrans-64.7-27.1167.4-151.271.8-10900111.6Q861 E867 R870 K885 Y890Q861-E865 PolarHBondContact NE2-OE2 2.76Å; Q861-E865 WeakPolarHBondContact O-CB 3.04Å; Q861-E865 PolarHBondContact O-N 3.31Å; E865-E867 PolarHBondContact O-N 2.72Å; E865-R870 PolarHBondContact O-NH2 2.86Å; E865-K885 IonicContact OE1-NZ 3.56Å; E865-K885 PolarHBondContact OE1-NZ 2.73Å; E865-Y890 HydrophobicContact CB-CE2 4.49Å
866L95Very high92.7Very high108 Ų10866 Ų6657%0.56533%0.332SS*.SBendtrans-74120.9171.2-60.6175.7000110.6H863 Y864 A868 N869H863-L866 PolarHBondContact O-N 3.13Å; Y864-L866 PolarHBondContact O-N 3.08Å; L866-A868 VanDerWaalsContact C-N 3.28Å; L866-A868 PolarHBondContact O-N 2.87Å; L866-N869 PolarHBondContact O-N 2.79Å
867E92Very high92.5Very high144 Ų14468.9 Ų68.967%0.67335%0.35SS*.G310 helixtrans-63.1-35.1-171.7-43.6-138.9119.900112.6E865 N869 R870E865-E867 PolarHBondContact O-N 2.72Å; E867-N869 PolarHBondContact O-N 2.92Å; E867-N869 VanDerWaalsContact O-N 3.09Å; E867-R870 WeakPolarHBondContact O-CB 3.43Å; E867-R870 PolarHBondContact O-N 3.11Å; E867-R870 IonicContact OE1-CZ 2.67Å; E867-R870 VanDerWaalsContact OE1-CZ 3.27Å; E867-R870 IonicContact OE1-NH1 3.08Å; E867-R870 PolarHBondContact OE1-NH1 2.89Å; E867-R870 IonicContact OE1-NH2 3.08Å; E867-R870 PolarHBondContact OE1-NH2 3.35Å
868A93.8Very high92.2Very high84 Ų8471 Ų7169%0.69436%0.361SS*.G310 helixtrans-61.2-15.2176.500000114.5L866 H871L866-A868 VanDerWaalsContact C-N 3.28Å; L866-A868 PolarHBondContact O-N 2.87Å; A868-H871 PolarHBondContact O-CE1 2.96Å
869N93.1Very high91.9Very high41 Ų4171.8 Ų71.822%0.21938%0.378CS..G310 helixtrans-94.8-11.2176.3-66.3-26.9000113H863 L866 E867 H871H863-N869 WeakPolarHBondContact O-CB 3.41Å; H863-N869 PolarHBondContact O-ND2 3.47Å; L866-N869 PolarHBondContact O-N 2.79Å; E867-N869 PolarHBondContact O-N 2.92Å; E867-N869 VanDerWaalsContact O-N 3.09Å; N869-H871 PolarHBondContact O-N 2.85Å; N869-H871 PolarHBondContact O-ND1 3.21Å; N869-H871 VanDerWaalsContact O-ND1 3.12Å
870R93.4Very high91.7Very high57 Ų5769.3 Ų69.322%0.21537%0.372CS..  trans-81.651.1-171.8-57.9-177.6-164.3154.27113.2Y864 E865 E867 M872 Y890 Y924Y864-R870 WeakPolarHBondContact O-CG 3.49Å; Y864-R870 PolarHBondContact O-NE 3.14Å; E865-R870 PolarHBondContact O-NH2 2.86Å; E867-R870 WeakPolarHBondContact O-CB 3.43Å; E867-R870 PolarHBondContact O-N 3.11Å; E867-R870 IonicContact OE1-CZ 2.67Å; E867-R870 VanDerWaalsContact OE1-CZ 3.27Å; E867-R870 IonicContact OE1-NH1 3.08Å; E867-R870 PolarHBondContact OE1-NH1 2.89Å; E867-R870 IonicContact OE1-NH2 3.08Å; E867-R870 PolarHBondContact OE1-NH2 3.35Å; R870-M872 PolarHBondContact O-N 2.95Å; R870-Y890 VanDerWaalsContact CZ-OH 3.26Å; R870-Y890 PolarHBondContact NE-OH 2.97Å; R870-Y924 HydrophobicContact CB-CD1 3.99Å; R870-Y924 HydrophobicContact CB-CE1 3.76Å; R870-Y924 WeakPolarHBondContact O-CD1 3.4Å
871H93.3Very high91.6Very high119 Ų11971.4 Ų71.455%0.55138%0.382SS*.PPolyproline II helixtrans-63.7118.4176.1-59.290.1000110.2A868 N869 Y924 S925A868-H871 PolarHBondContact O-CE1 2.96Å; N869-H871 PolarHBondContact O-N 2.85Å; N869-H871 PolarHBondContact O-ND1 3.21Å; N869-H871 VanDerWaalsContact O-ND1 3.12Å; H871-Y924 CarbonylContact O-C 3.53Å; H871-Y924 VanDerWaalsContact O-CA 3.22Å; H871-Y924 WeakPolarHBondContact O-CA 3.09Å; H871-S925 PolarHBondContact O-N 3.36Å
872M92.3Very high91.7Very high113 Ų11371 Ų7156%0.55738%0.38SS*.BIsolated β-bridgetrans-59.4143.4173.8-83.8175.245.600111.1R870 P874 L923R870-M872 PolarHBondContact O-N 2.95Å; M872-P874 WeakPolarHBondContact O-CD 3.49Å; M872-L923 WeakPolarHBondContact CA-O 3.26Å
873H90.5Very high91.8Very high7 Ų763.1 Ų63.13%0.03235%0.35CS..PPolyproline II helixtrans-69.9119.5177.8-159-66.3000110.3N875 P876 E880 L923H873-N875 PolarHBondContact CE1-O 3.31Å; H873-P876 HydrophobicContact CB-CG 4.36Å; H873-P876 WeakPolarHBondContact ND1-CA 3.48Å; H873-E880 IonicContact CE1-OE1 2.94Å; H873-E880 IonicContact CE1-OE2 3.85Å; H873-E880 PolarHBondContact CE1-OE2 2.93Å; H873-E880 VanDerWaalsContact NE2-CD 3.27Å; H873-E880 IonicContact NE2-OE1 3.9Å; H873-E880 PolarHBondContact NE2-OE1 2.84Å; H873-E880 IonicContact NE2-OE2 2.71Å; H873-E880 PolarHBondContact NE2-OE2 2.81Å; H873-L923 HydrophobicContact CB-CB 4.09Å; H873-L923 HydrophobicContact CB-CD2 3.89Å; H873-L923 HydrophobicContact CB-CG 4.13Å; H873-L923 PolarHBondContact N-O 2.77Å
874P84.4Confident91.8Very high117 Ų11761 Ų6176%0.7634%0.34SS*.SBendtrans-73.7-35.8-167.427.3-34.8000113.4M872M872-P874 WeakPolarHBondContact O-CD 3.49Å
875N88Confident91.7Very high117 Ų11764.4 Ų64.463%0.62636%0.355SS*.SBendtrans-153.293176.4-178.835000109.4H873 V877H873-N875 PolarHBondContact CE1-O 3.31Å; N875-V877 PolarHBondContact O-N 2.7Å
876P88.9Confident91.4Very high10 Ų1062 Ų627%0.06534%0.344CS..  trans-62.5131.9-179.1-21.432.7000112.1H873 I895 V898 V904 T920 L923H873-P876 HydrophobicContact CB-CG 4.36Å; H873-P876 WeakPolarHBondContact ND1-CA 3.48Å; P876-I895 HydrophobicContact CB-CD1 3.81Å; P876-V898 HydrophobicContact CB-CG2 4.41Å; P876-V898 VanDerWaalsContact O-CG2 3.28Å; P876-V898 WeakPolarHBondContact O-CG2 3.49Å; P876-V904 HydrophobicContact CB-CG1 3.95Å; P876-V904 HydrophobicContact CG-CG1 4.15Å; P876-T920 HydrophobicContact CG-CG2 3.71Å; P876-L923 HydrophobicContact CB-CD2 3.79Å; P876-L923 HydrophobicContact CG-CD2 3.73Å
877V89.3Confident90.8Very high71 Ų7163.5 Ų63.543%0.4335%0.352SS..  trans-121.4137.7177.1-175.70000110.5N875 G879 E880 I895N875-V877 PolarHBondContact O-N 2.7Å; V877-G879 PolarHBondContact O-N 2.9Å; V877-E880 WeakPolarHBondContact O-CB 3.34Å; V877-E880 PolarHBondContact O-N 3.16Å; V877-E880 VanDerWaalsContact O-N 3.08Å; V877-I895 WeakPolarHBondContact O-CB 3.32Å; V877-I895 WeakPolarHBondContact O-CD1 3.38Å
878P87.3Confident90.5Very high57 Ų5761.1 Ų61.137%0.3734%0.344SS..THydrogen-bonded Turntrans-56.3130.9173.7-24.835.9000112.1V898P878-V898 HydrophobicContact CG-CG2 4.27Å
879G85.3Confident90.3Very high48 Ų4859 Ų5950%0.49532%0.317SS..THydrogen-bonded Turntrans99.9-23.5-172.800000114.4V877 I895V877-G879 PolarHBondContact O-N 2.9Å; G879-I895 PolarHBondContact N-O 2.79Å
880E90.7Very high90.3Very high67 Ų6757.3 Ų57.331%0.31331%0.308SS..  trans-77.2151.1-179.8178.8170-156.200112.7H873 V877 I895H873-E880 IonicContact CE1-OE1 2.94Å; H873-E880 IonicContact CE1-OE2 3.85Å; H873-E880 PolarHBondContact CE1-OE2 2.93Å; H873-E880 VanDerWaalsContact NE2-CD 3.27Å; H873-E880 IonicContact NE2-OE1 3.9Å; H873-E880 PolarHBondContact NE2-OE1 2.84Å; H873-E880 IonicContact NE2-OE2 2.71Å; H873-E880 PolarHBondContact NE2-OE2 2.81Å; V877-E880 WeakPolarHBondContact O-CB 3.34Å; V877-E880 PolarHBondContact O-N 3.16Å; V877-E880 VanDerWaalsContact O-N 3.08Å; E880-I895 HydrophobicContact CB-CD1 4.08Å; E880-I895 HydrophobicContact CG-CD1 4.5Å; E880-I895 PolarHBondContact O-N 2.98Å
881M94.2Very high90.4Very high45 Ų4554.9 Ų54.922%0.22230%0.299CS..EExtended strand (participates in β ladder)trans-98.1127.2178.7-155.3-172.7-50.800110.9V893 L909 C926 K931M881-V893 CarbonylContact C-O 3.51Å; M881-V893 WeakPolarHBondContact CA-O 3.31Å; M881-V893 VanDerWaalsContact CG-O 3.32Å; M881-V893 WeakPolarHBondContact CG-O 3.46Å; M881-L909 HydrophobicContact CE-CD1 4.45Å; M881-L909 HydrophobicContact CG-CD1 3.75Å; M881-L909 HydrophobicContact SD-CD1 3.79Å; M881-C926 WeakPolarHBondContact O-CB 3.37Å; M881-K931 HydrophobicContact CE-CB 4.47Å; M881-K931 WeakPolarHBondContact CE-O 3.32Å
882A95.3Very high90.5Very high0 Ų049.3 Ų49.30%027%0.273CS..EExtended strand (participates in β ladder)trans-133.5-177.9-176.700000111R892 V893 I895 L923 Y924A882-R892 WeakPolarHBondContact O-CA 3.45Å; A882-V893 HydrophobicContact CB-CG2 4.06Å; A882-V893 PolarHBondContact N-O 2.68Å; A882-V893 WeakPolarHBondContact O-CG2 3.42Å; A882-V893 PolarHBondContact O-N 3.25Å; A882-I895 HydrophobicContact CB-CD1 4.3Å; A882-I895 HydrophobicContact CB-CG1 4.47Å; A882-L923 HydrophobicContact CB-CD1 3.93Å; A882-L923 HydrophobicContact CB-CD2 3.79Å; A882-L923 HydrophobicContact CB-CG 3.71Å; A882-Y924 WeakPolarHBondContact CB-O 3.17Å
883V96.3Very high90.6Very high0 Ų043.9 Ų43.90%025%0.247CC..EExtended strand (participates in β ladder)trans-129139.9177.2175.10000110.6Y864 Y890 E891 R892 Y924 C926Y864-V883 HydrophobicContact CD1-CG1 4.43Å; Y864-V883 HydrophobicContact CD2-CG1 3.99Å; Y864-V883 HydrophobicContact CD2-CG2 4.44Å; Y864-V883 HydrophobicContact CE1-CB 4.44Å; Y864-V883 HydrophobicContact CE2-CB 4.25Å; Y864-V883 HydrophobicContact CE2-CG1 4.1Å; Y864-V883 HydrophobicContact CE2-CG2 3.75Å; Y864-V883 HydrophobicContact CG-CG1 4.17Å; V883-Y890 HydrophobicContact CG1-CD1 4.28Å; V883-E891 WeakPolarHBondContact CA-O 3.47Å; V883-R892 HydrophobicContact CG2-CG 4.4Å; V883-Y924 PolarHBondContact N-O 3.07Å; V883-Y924 PolarHBondContact O-N 2.69Å; V883-C926 HydrophobicContact CG2-CB 4.23Å
884V95.1Very high90.7Very high0 Ų045.5 Ų45.50%025%0.254CS..EExtended strand (participates in β ladder)trans-120.3153.6173.9-68.50000111.4N886 Y890 E891 V893 V906 Y918 L923V884-N886 HydrophobicContact CG2-CB 4.48Å; V884-Y890 WeakPolarHBondContact O-CA 3.46Å; V884-E891 HydrophobicContact CG2-CB 4.49Å; V884-E891 PolarHBondContact N-O 3.03Å; V884-E891 PolarHBondContact O-N 3.11Å; V884-V893 HydrophobicContact CG1-CG1 4.43Å; V884-V893 HydrophobicContact CG1-CG2 4.06Å; V884-V893 HydrophobicContact CG2-CG1 3.67Å; V884-V906 HydrophobicContact CG1-CG2 4.43Å; V884-Y918 HydrophobicContact CB-CE1 4.27Å; V884-Y918 HydrophobicContact CB-CE2 4.25Å; V884-Y918 HydrophobicContact CG1-CD1 4.35Å; V884-Y918 HydrophobicContact CG1-CD2 3.94Å; V884-Y918 HydrophobicContact CG1-CE1 4.47Å; V884-Y918 HydrophobicContact CG1-CE2 4.04Å; V884-Y918 HydrophobicContact CG1-CG 4.09Å; V884-Y918 HydrophobicContact CG2-CE2 4.04Å; V884-L923 HydrophobicContact CG1-CD1 3.63Å
885K93.2Very high91.1Very high71 Ų7140 Ų4031%0.30922%0.218SC..EExtended strand (participates in β ladder)trans-87.9101161.7-161.8171-160148.20109.5E865 R889 Y890 Y924E865-K885 IonicContact OE1-NZ 3.56Å; E865-K885 PolarHBondContact OE1-NZ 2.73Å; K885-R889 CarbonylContact C-O 3.54Å; K885-R889 VanDerWaalsContact CA-O 3.29Å; K885-R889 WeakPolarHBondContact CA-O 3.22Å; K885-Y890 HydrophobicContact CB-CD1 4.13Å; K885-Y890 HydrophobicContact CB-CE1 3.81Å; K885-Y890 HydrophobicContact CD-CE1 3.99Å; K885-Y890 HydrophobicContact CD-CE2 4.15Å; K885-Y890 WeakPolarHBondContact CD-OH 3.12Å; K885-Y890 WeakPolarHBondContact CE-OH 3.12Å; K885-Y890 HydrophobicContact CG-CD1 4.34Å; K885-Y890 HydrophobicContact CG-CE1 3.96Å; K885-Y890 HydrophobicContact CG-CE2 4.43Å; K885-Y890 PolarHBondContact NZ-OH 3.08Å; K885-Y924 HydrophobicContact CB-CE2 4.47Å
886N87.6Confident91.1Very high25 Ų2537 Ų3713%0.13420%0.204CC..EExtended strand (participates in β ladder)trans-96.3110.1176.5-170.89000110.4V884 N888 R889 E891 Y918V884-N886 HydrophobicContact CG2-CB 4.48Å; N886-N888 PolarHBondContact O-N 3.09Å; N886-R889 PolarHBondContact N-O 3.26Å; N886-R889 PolarHBondContact O-N 3.35Å; N886-E891 HydrophobicContact CB-CG 4.27Å; N886-E891 WeakPolarHBondContact CB-OE2 3.26Å; N886-E891 PolarHBondContact ND2-OE2 2.97Å; N886-Y918 WeakPolarHBondContact CB-OH 3.3Å; N886-Y918 VanDerWaalsContact CG-OH 3.31Å; N886-Y918 PolarHBondContact OD1-OH 2.88Å
887I82.6Confident91Very high141 Ų14138 Ų3872%0.72321%0.212SC*.THydrogen-bonded Turntrans55.4-98.5-168.7-49.1173.9000109.5
888N85.6Confident90.7Very high94 Ų9438 Ų3850%0.50321%0.211SC..THydrogen-bonded Turntrans-11910.9-178.9-69.4-18.6000113F848 L849 Q861 N886F848-N888 WeakPolarHBondContact CE1-O 3.3Å; L849-N888 HydrophobicContact CD1-CB 3.62Å; Q861-N888 PolarHBondContact NE2-O 2.6Å; N886-N888 PolarHBondContact O-N 3.09Å
889R90.1Very high90.3Very high38 Ų3839.1 Ų39.114%0.14321%0.212CC..EExtended strand (participates in β ladder)trans-117.8149.4-177-64178-59.9169.36.9112.1F848 F851 K885 N886 E891F848-R889 HydrophobicContact CD1-CG 3.92Å; F848-R889 HydrophobicContact CE1-CG 3.91Å; F851-R889 VanDerWaalsContact CE2-NH1 3.26Å; F851-R889 VanDerWaalsContact CZ-NH1 3.32Å; K885-R889 CarbonylContact C-O 3.54Å; K885-R889 VanDerWaalsContact CA-O 3.29Å; K885-R889 WeakPolarHBondContact CA-O 3.22Å; N886-R889 PolarHBondContact N-O 3.26Å; N886-R889 PolarHBondContact O-N 3.35Å; R889-E891 HydrophobicContact CB-CG 4.06Å; R889-E891 IonicContact CZ-OE1 3.69Å; R889-E891 IonicContact NE-OE1 3.18Å; R889-E891 PolarHBondContact NE-OE1 3.11Å; R889-E891 IonicContact NH1-OE1 2.58Å; R889-E891 PolarHBondContact NH1-OE1 3.29Å; R889-E891 IonicContact NH2-OE1 2.8Å; R889-E891 PolarHBondContact NH2-OE1 3.26Å; R889-E891 IonicContact NH2-OE2 2.7Å
890Y94.1Very high89.3Confident7 Ų742.6 Ų42.63%0.02723%0.229CC..EExtended strand (participates in β ladder)trans-95.7122.7167.5-67.2-82.6000109.7Y864 E865 R870 V883 V884 K885 Y924Y864-Y890 VanDerWaalsContact CB-CD1 3.44Å; Y864-Y890 VanDerWaalsContact CB-CG 3.4Å; Y864-Y890 HydrophobicContact CG-CD1 4.27Å; Y864-Y890 HydrophobicContact CG-CG 4.42Å; Y864-Y890 WeakPolarHBondContact O-CE2 3.49Å; Y864-Y890 VanDerWaalsContact O-CZ 3.26Å; Y864-Y890 PolarHBondContact O-OH 3.31Å; E865-Y890 HydrophobicContact CB-CE2 4.49Å; R870-Y890 VanDerWaalsContact CZ-OH 3.26Å; R870-Y890 PolarHBondContact NE-OH 2.97Å; V883-Y890 HydrophobicContact CG1-CD1 4.28Å; V884-Y890 WeakPolarHBondContact O-CA 3.46Å; K885-Y890 HydrophobicContact CB-CD1 4.13Å; K885-Y890 HydrophobicContact CB-CE1 3.81Å; K885-Y890 HydrophobicContact CD-CE1 3.99Å; K885-Y890 HydrophobicContact CD-CE2 4.15Å; K885-Y890 WeakPolarHBondContact CD-OH 3.12Å; K885-Y890 WeakPolarHBondContact CE-OH 3.12Å; K885-Y890 HydrophobicContact CG-CD1 4.34Å; K885-Y890 HydrophobicContact CG-CE1 3.96Å; K885-Y890 HydrophobicContact CG-CE2 4.43Å; K885-Y890 PolarHBondContact NZ-OH 3.08Å; Y890-Y924 HydrophobicContact CD1-CD2 4.47Å; Y890-Y924 HydrophobicContact CD1-CE2 4.34Å; Y890-Y924 HydrophobicContact CE1-CD2 4.34Å; Y890-Y924 AromaticContact CE1-CE2 3.84Å; Y890-Y924 HydrophobicContact CE1-CE2 3.84Å
891E93.6Very high88.1Confident6 Ų645.2 Ų45.23%0.02824%0.244CC..EExtended strand (participates in β ladder)trans-129.9135-170.9-55.1-169.4132.400110.4V883 V884 N886 R889 L908 T911V883-E891 WeakPolarHBondContact CA-O 3.47Å; V884-E891 HydrophobicContact CG2-CB 4.49Å; V884-E891 PolarHBondContact N-O 3.03Å; V884-E891 PolarHBondContact O-N 3.11Å; N886-E891 HydrophobicContact CB-CG 4.27Å; N886-E891 WeakPolarHBondContact CB-OE2 3.26Å; N886-E891 PolarHBondContact ND2-OE2 2.97Å; R889-E891 HydrophobicContact CB-CG 4.06Å; R889-E891 IonicContact CZ-OE1 3.69Å; R889-E891 IonicContact NE-OE1 3.18Å; R889-E891 PolarHBondContact NE-OE1 3.11Å; R889-E891 IonicContact NH1-OE1 2.58Å; R889-E891 PolarHBondContact NH1-OE1 3.29Å; R889-E891 IonicContact NH2-OE1 2.8Å; R889-E891 PolarHBondContact NH2-OE1 3.26Å; R889-E891 IonicContact NH2-OE2 2.7Å; E891-L908 HydrophobicContact CB-CD2 3.62Å; E891-L908 HydrophobicContact CG-CD2 4.38Å; E891-L908 WeakPolarHBondContact OE2-CD2 3.48Å; E891-T911 VanDerWaalsContact OE1-CB 3.22Å; E891-T911 WeakPolarHBondContact OE1-CB 3.36Å; E891-T911 WeakPolarHBondContact OE1-CG2 3.28Å; E891-T911 PolarHBondContact OE1-OG1 3.08Å; E891-T911 PolarHBondContact OE2-OG1 3.19Å
892R95.8Very high87.4Confident1 Ų146 Ų460%0.00426%0.259CS..EExtended strand (participates in β ladder)trans-71.6138173.8-56.6-173.9-56.41514.6109.8V860 A882 V883 L909 D910 F930 S933 P934V860-R892 HydrophobicContact CG1-CG 4.44Å; V860-R892 HydrophobicContact CG2-CG 4.14Å; A882-R892 WeakPolarHBondContact O-CA 3.45Å; V883-R892 HydrophobicContact CG2-CG 4.4Å; R892-L909 HydrophobicContact CB-CB 4.42Å; R892-L909 HydrophobicContact CB-CD1 4.16Å; R892-L909 PolarHBondContact O-N 2.9Å; R892-L909 VanDerWaalsContact O-N 3.13Å; R892-D910 IonicContact CZ-OD1 2.65Å; R892-D910 IonicContact CZ-OD2 3.59Å; R892-D910 IonicContact NE-OD1 3.27Å; R892-D910 IonicContact NE-OD2 2.93Å; R892-D910 PolarHBondContact NE-OD2 3.22Å; R892-D910 IonicContact NH2-OD1 3.19Å; R892-D910 PolarHBondContact NH2-OD1 3.42Å; R892-D910 IonicContact NH2-OD2 2.71Å; R892-D910 PolarHBondContact NH2-OD2 3.17Å; R892-F930 WeakPolarHBondContact CD-O 3.37Å; R892-F930 PolarHBondContact NH1-O 3.48Å; R892-S933 PolarHBondContact NH1-O 3.42Å; R892-P934 PolarHBondContact NH2-O 3.04Å
893V95.3Very high87.1Confident0 Ų048.3 Ų48.30%027%0.27CS..EExtended strand (participates in β ladder)trans-133.3154.2179.8-69.50000111.2M881 A882 V884 V906 Q907 L908 L923M881-V893 CarbonylContact C-O 3.51Å; M881-V893 WeakPolarHBondContact CA-O 3.31Å; M881-V893 VanDerWaalsContact CG-O 3.32Å; M881-V893 WeakPolarHBondContact CG-O 3.46Å; A882-V893 HydrophobicContact CB-CG2 4.06Å; A882-V893 PolarHBondContact N-O 2.68Å; A882-V893 WeakPolarHBondContact O-CG2 3.42Å; A882-V893 PolarHBondContact O-N 3.25Å; V884-V893 HydrophobicContact CG1-CG1 4.43Å; V884-V893 HydrophobicContact CG1-CG2 4.06Å; V884-V893 HydrophobicContact CG2-CG1 3.67Å; V893-V906 HydrophobicContact CB-CB 3.87Å; V893-V906 HydrophobicContact CB-CG2 3.81Å; V893-V906 HydrophobicContact CG1-CB 4.29Å; V893-V906 HydrophobicContact CG1-CG2 3.68Å; V893-V906 HydrophobicContact CG2-CB 4.05Å; V893-V906 HydrophobicContact CG2-CG1 4.45Å; V893-V906 HydrophobicContact CG2-CG2 4.01Å; V893-Q907 CarbonylContact C-O 3.6Å; V893-Q907 WeakPolarHBondContact CA-O 3.29Å; V893-Q907 WeakPolarHBondContact CB-O 3.48Å; V893-L908 HydrophobicContact CG1-CD2 3.66Å; V893-L908 HydrophobicContact CG1-CG 4.33Å; V893-L923 HydrophobicContact CG2-CD1 4.11Å
894H93Very high86.8Confident41 Ų4148.3 Ų48.319%0.1927%0.27CS..EExtended strand (participates in β ladder)trans-109.3125.7169.2174-57.9000108.5V896 V906 Q907 L909H894-V896 PolarHBondContact O-N 2.97Å; H894-V906 CarbonylContact O-C 3.56Å; H894-V906 WeakPolarHBondContact O-CA 3.28Å; H894-Q907 PolarHBondContact N-O 3.49Å; H894-Q907 PolarHBondContact O-N 2.87Å; H894-L909 HydrophobicContact CB-CD1 4.35Å; H894-L909 HydrophobicContact CB-CD2 3.98Å; H894-L909 HydrophobicContact CB-CG 4.44Å
895I92.1Very high86.6Confident0 Ų050.4 Ų50.40%028%0.281CS..EExtended strand (participates in β ladder)trans-69.9125.2179.8-59.1154.4000108.5P876 V877 G879 E880 A882 V898 V906 L923P876-I895 HydrophobicContact CB-CD1 3.81Å; V877-I895 WeakPolarHBondContact O-CB 3.32Å; V877-I895 WeakPolarHBondContact O-CD1 3.38Å; G879-I895 PolarHBondContact N-O 2.79Å; E880-I895 HydrophobicContact CB-CD1 4.08Å; E880-I895 HydrophobicContact CG-CD1 4.5Å; E880-I895 PolarHBondContact O-N 2.98Å; A882-I895 HydrophobicContact CB-CD1 4.3Å; A882-I895 HydrophobicContact CB-CG1 4.47Å; I895-V898 HydrophobicContact CG2-CG2 4.33Å; I895-V906 HydrophobicContact CG1-CG1 4.22Å; I895-L923 HydrophobicContact CD1-CD2 3.94Å; I895-L923 HydrophobicContact CG1-CD2 4.14Å
896V88.4Confident86.6Confident55 Ų5547 Ų4733%0.33327%0.266SS..EExtended strand (participates in β ladder)trans-97.8-44.3-177.3-179.20000110.4H894 L905 Q907H894-V896 PolarHBondContact O-N 2.97Å; V896-L905 WeakPolarHBondContact CA-O 3.44Å; V896-L905 HydrophobicContact CB-CD2 4.4Å; V896-L905 HydrophobicContact CB-CG 4.33Å; V896-L905 WeakPolarHBondContact CB-O 3.4Å; V896-L905 HydrophobicContact CG1-CD2 4.26Å; V896-L905 PolarHBondContact N-O 2.91Å; V896-Q907 HydrophobicContact CG2-CB 3.77Å
897S85.9Confident86.9Confident32 Ų3247.3 Ų47.322%0.22427%0.267CS..EExtended strand (participates in β ladder)trans-155.3150173.748.70000111.3L905S897-L905 PolarHBondContact N-O 3.01Å; S897-L905 PolarHBondContact O-N 3.49Å; S897-L905 WeakPolarHBondContact OG-CB 3.42Å
898V84.1Confident87.4Confident69 Ų6940.8 Ų40.842%0.41823%0.233SC..EExtended strand (participates in β ladder)trans-99.9128.7167.8-175.10000106.9P876 P878 I895 V904P876-V898 HydrophobicContact CB-CG2 4.41Å; P876-V898 VanDerWaalsContact O-CG2 3.28Å; P876-V898 WeakPolarHBondContact O-CG2 3.49Å; P878-V898 HydrophobicContact CG-CG2 4.27Å; I895-V898 HydrophobicContact CG2-CG2 4.33Å; V898-V904 HydrophobicContact CG1-CG1 4.23Å; V898-V904 HydrophobicContact CG2-CG1 4.22Å
899E78.8Confident87.8Confident82 Ų8236.5 Ų36.538%0.38321%0.21SC..EExtended strand (participates in β ladder)trans-102.5148.9179.8-64.5170.4-170.200109.4N901 A902 M903E899-N901 PolarHBondContact O-N 3.34Å; E899-A902 PolarHBondContact O-N 3.29Å; E899-M903 HydrophobicContact CB-CB 4.23Å; E899-M903 PolarHBondContact N-O 3.12Å
900S64.8Low87.9Confident121 Ų12135.1 Ų35.185%0.84621%0.206SC*.THydrogen-bonded Turntrans-59.1-17.6-171.650.10000115.1A902S900-A902 VanDerWaalsContact C-N 3.34Å; S900-A902 PolarHBondContact O-N 3.31Å
901N64.3Low87.7Confident121 Ų12135.6 Ų35.665%0.64721%0.209SC*.THydrogen-bonded Turntrans-96.330.3-172.8-60.40.4000113E899 M903E899-N901 PolarHBondContact O-N 3.34Å; N901-M903 PolarHBondContact O-N 2.92Å
902A79.8Confident87.5Confident63 Ų6335.5 Ų35.552%0.52121%0.209SC..THydrogen-bonded Turntrans54.330.5-172.100000114.1E899 S900 T920E899-A902 PolarHBondContact O-N 3.29Å; S900-A902 VanDerWaalsContact C-N 3.34Å; S900-A902 PolarHBondContact O-N 3.31Å; A902-T920 PolarHBondContact O-N 2.94Å; A902-T920 PolarHBondContact O-OG1 3.17Å
903M88.9Confident87.3Confident47 Ų4736.2 Ų36.223%0.23221%0.214CC..EExtended strand (participates in β ladder)trans-105.2145.8172.6-65-62.9-61.900109.4E899 N901 S917 Y918 K919E899-M903 HydrophobicContact CB-CB 4.23Å; E899-M903 PolarHBondContact N-O 3.12Å; N901-M903 PolarHBondContact O-N 2.92Å; M903-S917 WeakPolarHBondContact CE-OG 3.4Å; M903-Y918 CarbonylContact C-O 3.49Å; M903-Y918 WeakPolarHBondContact CA-O 3.29Å; M903-Y918 VanDerWaalsContact CE-C 3.42Å; M903-Y918 WeakPolarHBondContact CE-O 3.48Å; M903-K919 HydrophobicContact CE-CG 4.5Å; M903-K919 HydrophobicContact SD-CB 4.34Å; M903-K919 HydrophobicContact SD-CG 3.57Å; M903-K919 VanDerWaalsContact SD-CG 3.57Å
904V89.9Confident87Confident0 Ų040.1 Ų40.10%023%0.232CC..EExtended strand (participates in β ladder)trans-127.3123.7178-72.20000109.3P876 V898 V906 S917 Y918 L923P876-V904 HydrophobicContact CB-CG1 3.95Å; P876-V904 HydrophobicContact CG-CG1 4.15Å; V898-V904 HydrophobicContact CG1-CG1 4.23Å; V898-V904 HydrophobicContact CG2-CG1 4.22Å; V904-V906 HydrophobicContact CB-CG1 4.12Å; V904-V906 HydrophobicContact CG2-CG1 4.04Å; V904-S917 WeakPolarHBondContact O-CA 3.32Å; V904-Y918 WeakPolarHBondContact CG2-O 3.2Å; V904-Y918 PolarHBondContact N-O 2.89Å; V904-Y918 PolarHBondContact O-N 2.97Å; V904-L923 HydrophobicContact CG2-CD1 4.26Å; V904-L923 HydrophobicContact CG2-CD2 4.34Å
905L91.6Very high86.8Confident45 Ų4541.1 Ų41.124%0.23624%0.243CC..EExtended strand (participates in β ladder)trans-84.7120171.7-176.167.8000108V896 S897 C915V896-L905 WeakPolarHBondContact CA-O 3.44Å; V896-L905 HydrophobicContact CB-CD2 4.4Å; V896-L905 HydrophobicContact CB-CG 4.33Å; V896-L905 WeakPolarHBondContact CB-O 3.4Å; V896-L905 HydrophobicContact CG1-CD2 4.26Å; V896-L905 PolarHBondContact N-O 2.91Å; S897-L905 PolarHBondContact N-O 3.01Å; S897-L905 PolarHBondContact O-N 3.49Å; S897-L905 WeakPolarHBondContact OG-CB 3.42Å; L905-C915 HydrophobicContact CD1-CB 3.84Å; L905-C915 HydrophobicContact CG-CB 4.18Å
906V92.9Very high86.7Confident0 Ų044.4 Ų44.40%026%0.258CS..EExtended strand (participates in β ladder)trans-130.1138.4-174.2-490000110.9V884 V893 H894 I895 V904 C915 F916 Y918 L923V884-V906 HydrophobicContact CG1-CG2 4.43Å; V893-V906 HydrophobicContact CB-CB 3.87Å; V893-V906 HydrophobicContact CB-CG2 3.81Å; V893-V906 HydrophobicContact CG1-CB 4.29Å; V893-V906 HydrophobicContact CG1-CG2 3.68Å; V893-V906 HydrophobicContact CG2-CB 4.05Å; V893-V906 HydrophobicContact CG2-CG1 4.45Å; V893-V906 HydrophobicContact CG2-CG2 4.01Å; H894-V906 CarbonylContact O-C 3.56Å; H894-V906 WeakPolarHBondContact O-CA 3.28Å; I895-V906 HydrophobicContact CG1-CG1 4.22Å; V904-V906 HydrophobicContact CB-CG1 4.12Å; V904-V906 HydrophobicContact CG2-CG1 4.04Å; V906-C915 CarbonylContact O-C 3.5Å; V906-C915 VanDerWaalsContact O-CA 3.26Å; V906-C915 WeakPolarHBondContact O-CA 3.47Å; V906-F916 PolarHBondContact N-O 3.03Å; V906-F916 PolarHBondContact O-N 2.72Å; V906-Y918 HydrophobicContact CG2-CD2 3.7Å; V906-Y918 HydrophobicContact CG2-CE2 4Å; V906-L923 HydrophobicContact CG1-CD1 4.04Å
907Q93.4Very high86.9Confident31 Ų3144.6 Ų44.615%0.14526%0.261CS..EExtended strand (participates in β ladder)trans-92.5130.1176173.21687100109.7V893 H894 V896 T913V893-Q907 CarbonylContact C-O 3.6Å; V893-Q907 WeakPolarHBondContact CA-O 3.29Å; V893-Q907 WeakPolarHBondContact CB-O 3.48Å; H894-Q907 PolarHBondContact N-O 3.49Å; H894-Q907 PolarHBondContact O-N 2.87Å; V896-Q907 HydrophobicContact CG2-CB 3.77Å; Q907-T913 PolarHBondContact NE2-O 2.88Å
908L93.7Very high87.2Confident3 Ų344.2 Ų44.22%0.01626%0.255CS..EExtended strand (participates in β ladder)trans-67.4147.5170.9-76.4171000111.5E891 V893 S912 E914 F916E891-L908 HydrophobicContact CB-CD2 3.62Å; E891-L908 HydrophobicContact CG-CD2 4.38Å; E891-L908 WeakPolarHBondContact OE2-CD2 3.48Å; V893-L908 HydrophobicContact CG1-CD2 3.66Å; V893-L908 HydrophobicContact CG1-CG 4.33Å; L908-S912 CarbonylContact C-O 3.53Å; L908-S912 VanDerWaalsContact C-O 3.26Å; L908-S912 WeakPolarHBondContact CB-O 3.47Å; L908-E914 PolarHBondContact N-O 3.06Å; L908-E914 VanDerWaalsContact N-O 3.08Å; L908-F916 HydrophobicContact CD1-CD2 3.89Å; L908-F916 HydrophobicContact CD1-CE2 3.58Å; L908-F916 HydrophobicContact CG-CD2 4.21Å; L908-F916 HydrophobicContact CG-CE2 4.31Å
909L93.8Very high87.5Confident4 Ų446.7 Ų46.72%0.02126%0.26CS..SBendtrans-111.3-28.4-175.9-62.7179.1000114.6M881 R892 H894 R935 E936 A937M881-L909 HydrophobicContact CE-CD1 4.45Å; M881-L909 HydrophobicContact CG-CD1 3.75Å; M881-L909 HydrophobicContact SD-CD1 3.79Å; R892-L909 HydrophobicContact CB-CB 4.42Å; R892-L909 HydrophobicContact CB-CD1 4.16Å; R892-L909 PolarHBondContact O-N 2.9Å; R892-L909 VanDerWaalsContact O-N 3.13Å; H894-L909 HydrophobicContact CB-CD1 4.35Å; H894-L909 HydrophobicContact CB-CD2 3.98Å; H894-L909 HydrophobicContact CB-CG 4.44Å; L909-R935 HydrophobicContact CB-CB 4.17Å; L909-R935 HydrophobicContact CD2-CB 4.32Å; L909-R935 WeakPolarHBondContact O-CB 3.31Å; L909-E936 PolarHBondContact O-N 2.81Å; L909-E936 VanDerWaalsContact O-N 3.14Å; L909-A937 WeakPolarHBondContact O-CB 3.38Å; L909-A937 PolarHBondContact O-N 3.03Å
910D92.3Very high88Confident9 Ų944.4 Ų44.45%0.04825%0.252CS..SBendtrans-121.6-20.3-166.5-58.1-41.3000115R892 E936R892-D910 IonicContact CZ-OD1 2.65Å; R892-D910 IonicContact CZ-OD2 3.59Å; R892-D910 IonicContact NE-OD1 3.27Å; R892-D910 IonicContact NE-OD2 2.93Å; R892-D910 PolarHBondContact NE-OD2 3.22Å; R892-D910 IonicContact NH2-OD1 3.19Å; R892-D910 PolarHBondContact NH2-OD1 3.42Å; R892-D910 IonicContact NH2-OD2 2.71Å; R892-D910 PolarHBondContact NH2-OD2 3.17Å; D910-E936 HydrophobicContact CB-CB 4.29Å; D910-E936 PolarHBondContact OD1-N 2.71Å
911T88.6Confident89.2Confident17 Ų1742 Ų4210%0.10424%0.235CC..SBendtrans-125.7-14.6-172.364.40000114.2L826 F851 E891L826-T911 WeakPolarHBondContact CB-O 3.28Å; F851-T911 HydrophobicContact CE1-CG2 3.63Å; F851-T911 HydrophobicContact CZ-CG2 3.86Å; E891-T911 VanDerWaalsContact OE1-CB 3.22Å; E891-T911 WeakPolarHBondContact OE1-CB 3.36Å; E891-T911 WeakPolarHBondContact OE1-CG2 3.28Å; E891-T911 PolarHBondContact OE1-OG1 3.08Å; E891-T911 PolarHBondContact OE2-OG1 3.19Å
912S91.2Very high90.5Very high4 Ų440.5 Ų40.53%0.02822%0.224CC..  trans-159.7170.4173.5-174.40000107.6Y829 L908 E914 A937Y829-S912 PolarHBondContact OH-OG 3.11Å; L908-S912 CarbonylContact C-O 3.53Å; L908-S912 VanDerWaalsContact C-O 3.26Å; L908-S912 WeakPolarHBondContact CB-O 3.47Å; S912-E914 PolarHBondContact OG-N 3.3Å; S912-E914 PolarHBondContact OG-OE2 2.84Å; S912-A937 WeakPolarHBondContact O-CB 3.47Å
913T90.7Very high91.2Very high17 Ų1737.5 Ų37.510%0.10420%0.199CC..  trans-114.12.3169.359.40000112.6Y829 A835 Q907 A937Y829-T913 WeakPolarHBondContact OH-CA 3.2Å; Y829-T913 PolarHBondContact OH-N 2.96Å; Y829-T913 PolarHBondContact OH-OG1 2.99Å; A835-T913 HydrophobicContact CB-CG2 4.44Å; Q907-T913 PolarHBondContact NE2-O 2.88Å; T913-A937 HydrophobicContact CG2-CB 3.95Å; T913-A937 WeakPolarHBondContact CG2-O 3.19Å
914E89.2Confident91.5Very high82 Ų8237.1 Ų37.138%0.38320%0.196SC..  trans-66.3157.6174.2-77.7162.4143.500113Y829 L908 S912 F916Y829-E914 HydrophobicContact CD1-CG 4.12Å; Y829-E914 HydrophobicContact CE1-CG 3.48Å; Y829-E914 VanDerWaalsContact CE1-CG 3.48Å; Y829-E914 PolarHBondContact OH-N 3.27Å; L908-E914 PolarHBondContact N-O 3.06Å; L908-E914 VanDerWaalsContact N-O 3.08Å; S912-E914 PolarHBondContact OG-N 3.3Å; S912-E914 PolarHBondContact OG-OE2 2.84Å; E914-F916 HydrophobicContact CB-CD2 4.35Å; E914-F916 HydrophobicContact CB-CE2 3.49Å; E914-F916 VanDerWaalsContact CB-CE2 3.49Å; E914-F916 HydrophobicContact CB-CZ 3.9Å
915C89.6Confident91.7Very high61 Ų6138.9 Ų38.941%0.41221%0.208SC..EExtended strand (participates in β ladder)trans-102.8138.2173.1-57.80000111L905 V906L905-C915 HydrophobicContact CD1-CB 3.84Å; L905-C915 HydrophobicContact CG-CB 4.18Å; V906-C915 CarbonylContact O-C 3.5Å; V906-C915 VanDerWaalsContact O-CA 3.26Å; V906-C915 WeakPolarHBondContact O-CA 3.47Å
916F90Very high91.8Very high70 Ų7037 Ų3731%0.30720%0.198SC..EExtended strand (participates in β ladder)trans-129.4145.5-179.8-65.3-91.8000110V906 L908 E914 Y918V906-F916 PolarHBondContact N-O 3.03Å; V906-F916 PolarHBondContact O-N 2.72Å; L908-F916 HydrophobicContact CD1-CD2 3.89Å; L908-F916 HydrophobicContact CD1-CE2 3.58Å; L908-F916 HydrophobicContact CG-CD2 4.21Å; L908-F916 HydrophobicContact CG-CE2 4.31Å; E914-F916 HydrophobicContact CB-CD2 4.35Å; E914-F916 HydrophobicContact CB-CE2 3.49Å; E914-F916 VanDerWaalsContact CB-CE2 3.49Å; E914-F916 HydrophobicContact CB-CZ 3.9Å; F916-Y918 HydrophobicContact CB-CD2 4.12Å; F916-Y918 HydrophobicContact CB-CE2 3.6Å
917S91.6Very high91.8Very high58 Ų5839.1 Ų39.141%0.40621%0.211SC..EExtended strand (participates in β ladder)trans-97.5121.5175.9-169.60000109.9M903 V904M903-S917 WeakPolarHBondContact CE-OG 3.4Å; V904-S917 WeakPolarHBondContact O-CA 3.32Å
918Y91.6Very high91.6Very high24 Ų2443.1 Ų43.19%0.09423%0.23CC..EExtended strand (participates in β ladder)trans-120.3158.8178.3-73.8-89.3000110.3V884 N886 M903 V904 V906 F916 Q922V884-Y918 HydrophobicContact CB-CE1 4.27Å; V884-Y918 HydrophobicContact CB-CE2 4.25Å; V884-Y918 HydrophobicContact CG1-CD1 4.35Å; V884-Y918 HydrophobicContact CG1-CD2 3.94Å; V884-Y918 HydrophobicContact CG1-CE1 4.47Å; V884-Y918 HydrophobicContact CG1-CE2 4.04Å; V884-Y918 HydrophobicContact CG1-CG 4.09Å; V884-Y918 HydrophobicContact CG2-CE2 4.04Å; N886-Y918 WeakPolarHBondContact CB-OH 3.3Å; N886-Y918 VanDerWaalsContact CG-OH 3.31Å; N886-Y918 PolarHBondContact OD1-OH 2.88Å; M903-Y918 CarbonylContact C-O 3.49Å; M903-Y918 WeakPolarHBondContact CA-O 3.29Å; M903-Y918 VanDerWaalsContact CE-C 3.42Å; M903-Y918 WeakPolarHBondContact CE-O 3.48Å; V904-Y918 WeakPolarHBondContact CG2-O 3.2Å; V904-Y918 PolarHBondContact N-O 2.89Å; V904-Y918 PolarHBondContact O-N 2.97Å; V906-Y918 HydrophobicContact CG2-CD2 3.7Å; V906-Y918 HydrophobicContact CG2-CE2 4Å; F916-Y918 HydrophobicContact CB-CD2 4.12Å; F916-Y918 HydrophobicContact CB-CE2 3.6Å; Y918-Q922 HydrophobicContact CD1-CB 4.29Å
919K91.9Very high91.4Very high121 Ų12147.7 Ų47.753%0.52625%0.253SS..EExtended strand (participates in β ladder)trans-71.3147.2166.9-65.3-179177.3-171.80109.8M903 S921 Q922M903-K919 HydrophobicContact CE-CG 4.5Å; M903-K919 HydrophobicContact SD-CB 4.34Å; M903-K919 HydrophobicContact SD-CG 3.57Å; M903-K919 VanDerWaalsContact SD-CG 3.57Å; K919-S921 PolarHBondContact O-N 2.87Å; K919-S921 VanDerWaalsContact O-N 3.12Å; K919-Q922 HydrophobicContact CB-CG 4.17Å; K919-Q922 WeakPolarHBondContact O-CB 3.49Å; K919-Q922 PolarHBondContact O-N 2.79Å
920T89.1Confident91.3Very high35 Ų3547.7 Ų47.722%0.21525%0.253CS..G310 helixtrans-52.7-34.8172.7-63.40000112.5P876 A902 Q922 L923P876-T920 HydrophobicContact CG-CG2 3.71Å; A902-T920 PolarHBondContact O-N 2.94Å; A902-T920 PolarHBondContact O-OG1 3.17Å; T920-Q922 PolarHBondContact O-N 2.77Å; T920-L923 WeakPolarHBondContact O-CB 3.24Å; T920-L923 PolarHBondContact O-N 3.17Å; T920-L923 VanDerWaalsContact O-N 3.15Å
921S89.4Confident91.2Very high70 Ų7049.9 Ų49.949%0.4926%0.262SS..G310 helixtrans-71.6-5.1176.356.10000115.7K919K919-S921 PolarHBondContact O-N 2.87Å; K919-S921 VanDerWaalsContact O-N 3.12Å
922Q91.6Very high91Very high90 Ų9055.7 Ų55.742%0.42129%0.293SS..G310 helixtrans-101.90.4173.3-61.2172.8-57.600112.2Y918 K919 T920Y918-Q922 HydrophobicContact CD1-CB 4.29Å; K919-Q922 HydrophobicContact CB-CG 4.17Å; K919-Q922 WeakPolarHBondContact O-CB 3.49Å; K919-Q922 PolarHBondContact O-N 2.79Å; T920-Q922 PolarHBondContact O-N 2.77Å
923L94.1Very high91Very high0 Ų056.8 Ų56.80%030%0.3CS..EExtended strand (participates in β ladder)trans-97.9128.4-179.8-153.877.3000109.9M872 H873 P876 A882 V884 V893 I895 V904 V906 T920M872-L923 WeakPolarHBondContact CA-O 3.26Å; H873-L923 HydrophobicContact CB-CB 4.09Å; H873-L923 HydrophobicContact CB-CD2 3.89Å; H873-L923 HydrophobicContact CB-CG 4.13Å; H873-L923 PolarHBondContact N-O 2.77Å; P876-L923 HydrophobicContact CB-CD2 3.79Å; P876-L923 HydrophobicContact CG-CD2 3.73Å; A882-L923 HydrophobicContact CB-CD1 3.93Å; A882-L923 HydrophobicContact CB-CD2 3.79Å; A882-L923 HydrophobicContact CB-CG 3.71Å; V884-L923 HydrophobicContact CG1-CD1 3.63Å; V893-L923 HydrophobicContact CG2-CD1 4.11Å; I895-L923 HydrophobicContact CD1-CD2 3.94Å; I895-L923 HydrophobicContact CG1-CD2 4.14Å; V904-L923 HydrophobicContact CG2-CD1 4.26Å; V904-L923 HydrophobicContact CG2-CD2 4.34Å; V906-L923 HydrophobicContact CG1-CD1 4.04Å; T920-L923 WeakPolarHBondContact O-CB 3.24Å; T920-L923 PolarHBondContact O-N 3.17Å; T920-L923 VanDerWaalsContact O-N 3.15Å
924Y95.3Very high91Very high39 Ų3958.7 Ų58.715%0.15331%0.313CS..EExtended strand (participates in β ladder)trans-108.2147176-54.1-65.8000110.9R870 H871 A882 V883 K885 Y890 C926R870-Y924 HydrophobicContact CB-CD1 3.99Å; R870-Y924 HydrophobicContact CB-CE1 3.76Å; R870-Y924 WeakPolarHBondContact O-CD1 3.4Å; H871-Y924 CarbonylContact O-C 3.53Å; H871-Y924 VanDerWaalsContact O-CA 3.22Å; H871-Y924 WeakPolarHBondContact O-CA 3.09Å; A882-Y924 WeakPolarHBondContact CB-O 3.17Å; V883-Y924 PolarHBondContact N-O 3.07Å; V883-Y924 PolarHBondContact O-N 2.69Å; K885-Y924 HydrophobicContact CB-CE2 4.47Å; Y890-Y924 HydrophobicContact CD1-CD2 4.47Å; Y890-Y924 HydrophobicContact CD1-CE2 4.34Å; Y890-Y924 HydrophobicContact CE1-CD2 4.34Å; Y890-Y924 AromaticContact CE1-CE2 3.84Å; Y890-Y924 HydrophobicContact CE1-CE2 3.84Å; Y924-C926 PolarHBondContact O-N 2.87Å
925S94.1Very high91.2Very high36 Ų3656.4 Ų56.425%0.25230%0.301SS..EExtended strand (participates in β ladder)trans-62.3125.8173.3-57.90000110.4Y864 H871Y864-S925 PolarHBondContact OH-O 2.8Å; H871-S925 PolarHBondContact O-N 3.36Å
926C94.4Very high91.4Very high6 Ų653.7 Ų53.74%0.04128%0.282CS..PPolyproline II helixtrans-72.5128.2171-165.80000109Y864 M881 V883 Y924 K931Y864-C926 WeakPolarHBondContact OH-CA 3.26Å; M881-C926 WeakPolarHBondContact O-CB 3.37Å; V883-C926 HydrophobicContact CG2-CB 4.23Å; Y924-C926 PolarHBondContact O-N 2.87Å; C926-K931 HydrophobicContact CB-CG 4.07Å; C926-K931 WeakPolarHBondContact O-CE 3.22Å
927V92.6Very high91.6Very high45 Ų4550.4 Ų50.427%0.27327%0.268SS..PPolyproline II helixtrans-77.7144.4173.4-68.90000110.8Y864 I929 F930 K931Y864-V927 PolarHBondContact OH-N 2.77Å; Y864-V927 VanDerWaalsContact OH-N 3.15Å; V927-I929 HydrophobicContact CB-CG1 4.3Å; V927-I929 HydrophobicContact CG2-CD1 4.12Å; V927-I929 HydrophobicContact CG2-CG1 3.61Å; V927-I929 PolarHBondContact O-N 3.25Å; V927-I929 VanDerWaalsContact O-N 3.09Å; V927-F930 HydrophobicContact CG2-CD2 3.32Å; V927-F930 HydrophobicContact CG2-CE2 3.59Å; V927-F930 HydrophobicContact CG2-CG 4.15Å; V927-F930 PolarHBondContact O-N 2.89Å; V927-K931 PolarHBondContact O-N 2.81Å
928E88.8Confident91.8Very high114 Ų11447.6 Ų47.653%0.53325%0.249SC..Hα-helixtrans-52.1-39-171-56.5-51.5131.600113.8F930 K931 D932E928-F930 PolarHBondContact O-N 2.84Å; E928-K931 PolarHBondContact O-N 3.01Å; E928-K931 WeakPolarHBondContact OE1-CE 3.44Å; E928-K931 IonicContact OE1-NZ 2.66Å; E928-K931 PolarHBondContact OE1-NZ 3.23Å; E928-K931 WeakPolarHBondContact OE2-CD 3.09Å; E928-K931 IonicContact OE2-NZ 3.58Å; E928-D932 PolarHBondContact O-N 2.9Å
929I88.8Confident92Very high100 Ų10047.2 Ų47.251%0.51325%0.248SC..Hα-helixtrans-56.1-13.5175.962.6167000115V927V927-I929 HydrophobicContact CB-CG1 4.3Å; V927-I929 HydrophobicContact CG2-CD1 4.12Å; V927-I929 HydrophobicContact CG2-CG1 3.61Å; V927-I929 PolarHBondContact O-N 3.25Å; V927-I929 VanDerWaalsContact O-N 3.09Å
930F92.5Very high92.2Very high4 Ų441.5 Ų41.52%0.01822%0.223CC..Hα-helixtrans-114.9-9.7174.9-57.6-37.4000113.5L856 R859 V860 H863 Y864 R892 V927 E928L856-F930 HydrophobicContact CD1-CD1 3.93Å; R859-F930 HydrophobicContact CB-CE1 3.84Å; R859-F930 HydrophobicContact CB-CZ 4.22Å; V860-F930 HydrophobicContact CG2-CB 4.37Å; V860-F930 HydrophobicContact CG2-CD1 3.83Å; V860-F930 HydrophobicContact CG2-CD2 3.92Å; V860-F930 HydrophobicContact CG2-CE1 4.04Å; V860-F930 HydrophobicContact CG2-CE2 4.12Å; V860-F930 HydrophobicContact CG2-CG 3.78Å; V860-F930 HydrophobicContact CG2-CZ 4.18Å; H863-F930 HydrophobicContact CB-CE2 3.79Å; H863-F930 HydrophobicContact CB-CZ 3.84Å; H863-F930 AromaticContact CD2-CE2 3.89Å; H863-F930 AromaticContact CG-CE2 3.78Å; Y864-F930 HydrophobicContact CD2-CE2 4.46Å; Y864-F930 AromaticContact CE2-CD2 3.9Å; Y864-F930 HydrophobicContact CE2-CD2 3.9Å; Y864-F930 AromaticContact CE2-CE2 3.88Å; Y864-F930 HydrophobicContact CE2-CE2 3.88Å; R892-F930 WeakPolarHBondContact CD-O 3.37Å; R892-F930 PolarHBondContact NH1-O 3.48Å; V927-F930 HydrophobicContact CG2-CD2 3.32Å; V927-F930 HydrophobicContact CG2-CE2 3.59Å; V927-F930 HydrophobicContact CG2-CG 4.15Å; V927-F930 PolarHBondContact O-N 2.89Å; E928-F930 PolarHBondContact O-N 2.84Å
931K89.1Confident92.6Very high55 Ų5541.8 Ų41.824%0.23922%0.22CC..Hα-helixtrans-77.6-39.4172.2-64.4-167.9-166.5161.40111.8M881 C926 V927 E928 S933M881-K931 HydrophobicContact CE-CB 4.47Å; M881-K931 WeakPolarHBondContact CE-O 3.32Å; C926-K931 HydrophobicContact CB-CG 4.07Å; C926-K931 WeakPolarHBondContact O-CE 3.22Å; V927-K931 PolarHBondContact O-N 2.81Å; E928-K931 PolarHBondContact O-N 3.01Å; E928-K931 WeakPolarHBondContact OE1-CE 3.44Å; E928-K931 IonicContact OE1-NZ 2.66Å; E928-K931 PolarHBondContact OE1-NZ 3.23Å; E928-K931 WeakPolarHBondContact OE2-CD 3.09Å; E928-K931 IonicContact OE2-NZ 3.58Å; K931-S933 PolarHBondContact O-N 2.93Å; K931-S933 VanDerWaalsContact O-N 3.17Å
932D86.4Confident92.9Very high139 Ų13938.7 Ų38.774%0.74320%0.198SC*.SBendtrans-64.9-18.3-179-64.3-28.5000114.2E928E928-D932 PolarHBondContact O-N 2.9Å
933S89.6Confident93.1Very high27 Ų2735.5 Ų35.519%0.18918%0.184CC..SBendtrans-82.2135.8-176.9-61.90000111.8R892 K931R892-S933 PolarHBondContact NH1-O 3.42Å; K931-S933 PolarHBondContact O-N 2.93Å; K931-S933 VanDerWaalsContact O-N 3.17Å
934P91.9Very high93Very high57 Ų5735.5 Ų35.537%0.3718%0.184SC..PPolyproline II helixtrans-62.6165.7176.828.3-36.2000112.1F842 R892F842-P934 HydrophobicContact CE1-CG 3.97Å; F842-P934 HydrophobicContact CZ-CG 4Å; R892-P934 PolarHBondContact NH2-O 3.04Å
935R92.6Very high93Very high33 Ų3333.6 Ų33.613%0.12518%0.177CC..PPolyproline II helixtrans-74.8139.817565.5178.167.5-143.1-1.9110.5Y815 L909Y815-R935 HydrophobicContact CE2-CG 4.43Å; L909-R935 HydrophobicContact CB-CB 4.17Å; L909-R935 HydrophobicContact CD2-CB 4.32Å; L909-R935 WeakPolarHBondContact O-CB 3.31Å
936E94.1Very high92.9Very high4 Ų432 Ų322%0.01917%0.165CC..  trans-94.2-25.5179.3-61.3-169.6-179.700114.3R837 F842 S854 L856 L909 D910R837-E936 WeakPolarHBondContact CD-OE2 3.34Å; R837-E936 HydrophobicContact CG-CB 4.2Å; R837-E936 IonicContact CZ-OE2 3.12Å; R837-E936 IonicContact NE-OE2 2.68Å; R837-E936 IonicContact NH1-OE2 3.52Å; R837-E936 PolarHBondContact NH1-OE2 3.36Å; F842-E936 HydrophobicContact CB-CG 4.27Å; F842-E936 HydrophobicContact CD1-CG 3.82Å; F842-E936 HydrophobicContact CD2-CB 4.46Å; F842-E936 HydrophobicContact CD2-CG 4.43Å; F842-E936 HydrophobicContact CE1-CG 4.26Å; F842-E936 HydrophobicContact CG-CB 4.33Å; F842-E936 HydrophobicContact CG-CG 3.91Å; S854-E936 WeakPolarHBondContact CB-OE1 3.48Å; S854-E936 WeakPolarHBondContact CB-OE2 3.4Å; S854-E936 PolarHBondContact OG-OE1 2.93Å; S854-E936 PolarHBondContact OG-OE2 2.98Å; L856-E936 WeakPolarHBondContact CB-OE1 3.45Å; L909-E936 PolarHBondContact O-N 2.81Å; L909-E936 VanDerWaalsContact O-N 3.14Å; D910-E936 HydrophobicContact CB-CB 4.29Å; D910-E936 PolarHBondContact OD1-N 2.71Å
937A94.5Very high92.6Very high1 Ų132 Ų321%0.00817%0.165CC..  trans-88.9121.6178.800000110.9L826 L909 S912 T913L826-A937 HydrophobicContact CD1-CB 3.83Å; L909-A937 WeakPolarHBondContact O-CB 3.38Å; L909-A937 PolarHBondContact O-N 3.03Å; S912-A937 WeakPolarHBondContact O-CB 3.47Å; T913-A937 HydrophobicContact CG2-CB 3.95Å; T913-A937 WeakPolarHBondContact CG2-O 3.19Å
938M95.4Very high92Very high0 Ų032.8 Ų32.80%017%0.166CC..EExtended strand (participates in β ladder)trans-115.2141.8178.2-57.8-178.8176.200110Y815 A835 V836 L838 F842 I990Y815-M938 HydrophobicContact CD1-SD 4.38Å; Y815-M938 HydrophobicContact CD2-CE 3.8Å; Y815-M938 HydrophobicContact CD2-CG 4.44Å; Y815-M938 HydrophobicContact CD2-SD 4.19Å; Y815-M938 HydrophobicContact CE1-CB 4.09Å; Y815-M938 HydrophobicContact CE1-CG 4.08Å; Y815-M938 HydrophobicContact CE1-SD 4.4Å; Y815-M938 HydrophobicContact CE2-CE 3.98Å; Y815-M938 HydrophobicContact CE2-CG 3.88Å; Y815-M938 HydrophobicContact CE2-SD 4.23Å; Y815-M938 HydrophobicContact CG-CE 4.33Å; Y815-M938 HydrophobicContact CG-SD 4.28Å; A835-M938 WeakPolarHBondContact CA-O 3.49Å; V836-M938 HydrophobicContact CG2-CB 4.34Å; V836-M938 PolarHBondContact N-O 2.72Å; V836-M938 PolarHBondContact O-N 3.48Å; L838-M938 HydrophobicContact CD1-CE 3.81Å; L838-M938 HydrophobicContact CD1-SD 3.57Å; L838-M938 VanDerWaalsContact CD1-SD 3.57Å; L838-M938 HydrophobicContact CD2-SD 4.36Å; L838-M938 HydrophobicContact CG-CE 4.22Å; L838-M938 HydrophobicContact CG-SD 3.69Å; F842-M938 HydrophobicContact CE2-CE 4.07Å; M938-I990 HydrophobicContact CB-CD1 4.05Å; M938-I990 HydrophobicContact CG-CD1 4.45Å; M938-I990 HydrophobicContact SD-CD1 3.65Å
939D95.4Very high91.7Very high16 Ų1629.1 Ų29.19%0.08615%0.153CC..EExtended strand (participates in β ladder)trans-80.9119.1172.3-170.8-17.9000109.1R941 I990D939-R941 VanDerWaalsContact CG-NE 3.34Å; D939-R941 VanDerWaalsContact OD1-CG 3.24Å; D939-R941 WeakPolarHBondContact OD1-CG 3.38Å; D939-R941 IonicContact OD1-CZ 3.73Å; D939-R941 IonicContact OD1-NE 2.81Å; D939-R941 PolarHBondContact OD1-NE 2.91Å; D939-R941 IonicContact OD1-NH2 3.65Å; D939-R941 IonicContact OD2-CZ 2.67Å; D939-R941 VanDerWaalsContact OD2-CZ 3.26Å; D939-R941 IonicContact OD2-NE 3.65Å; D939-R941 PolarHBondContact OD2-NE 3.36Å; D939-R941 VanDerWaalsContact OD2-NE 3.1Å; D939-R941 IonicContact OD2-NH2 2.68Å; D939-R941 PolarHBondContact OD2-NH2 3.3Å; D939-I990 PolarHBondContact O-N 3.09Å
940L97Very high91.5Very high0 Ų024.4 Ų24.40%013%0.129CC..EExtended strand (participates in β ladder)trans-116.5123.9-179.7-176.671.6000109.6I821 F823 A833 L834 V836 I990 V992 I995I821-L940 HydrophobicContact CD1-CD1 4.04Å; F823-L940 HydrophobicContact CD1-CD2 4.28Å; F823-L940 HydrophobicContact CD2-CD2 4.24Å; F823-L940 HydrophobicContact CE1-CD2 3.69Å; F823-L940 HydrophobicContact CE2-CD2 3.63Å; F823-L940 HydrophobicContact CZ-CD2 3.31Å; A833-L940 WeakPolarHBondContact CA-O 3.44Å; L834-L940 PolarHBondContact N-O 3.1Å; L834-L940 PolarHBondContact O-N 3.31Å; V836-L940 HydrophobicContact CB-CB 4.5Å; V836-L940 HydrophobicContact CG1-CB 3.89Å; V836-L940 HydrophobicContact CG1-CD2 3.84Å; V836-L940 HydrophobicContact CG2-CB 3.75Å; V836-L940 HydrophobicContact CG2-CD2 4.16Å; V836-L940 HydrophobicContact CG2-CG 4.49Å; L940-I990 HydrophobicContact CD1-CB 3.8Å; L940-I990 HydrophobicContact CD1-CG2 3.63Å; L940-V992 HydrophobicContact CD1-CG1 3.71Å; L940-V992 HydrophobicContact CD1-CG2 4.07Å; L940-V992 HydrophobicContact CG-CG2 4.29Å; L940-I995 HydrophobicContact CD2-CD1 3.67Å; L940-I995 HydrophobicContact CD2-CG1 4.26Å; L940-I995 HydrophobicContact CG-CD1 4.31Å
941R96.1Very high91Very high41 Ų4127.2 Ų27.216%0.15514%0.144CC..EExtended strand (participates in β ladder)trans-127140.9-174.8-56.9-168.7-177.1-172.22.2113A789 A832 A833 D939 L943 T989 I990 F991 V992A789-R941 VanDerWaalsContact CB-NH1 3.33Å; A832-R941 VanDerWaalsContact O-CA 3.25Å; A832-R941 WeakPolarHBondContact O-CA 3.2Å; A833-R941 HydrophobicContact CB-CG 4.02Å; D939-R941 VanDerWaalsContact CG-NE 3.34Å; D939-R941 VanDerWaalsContact OD1-CG 3.24Å; D939-R941 WeakPolarHBondContact OD1-CG 3.38Å; D939-R941 IonicContact OD1-CZ 3.73Å; D939-R941 IonicContact OD1-NE 2.81Å; D939-R941 PolarHBondContact OD1-NE 2.91Å; D939-R941 IonicContact OD1-NH2 3.65Å; D939-R941 IonicContact OD2-CZ 2.67Å; D939-R941 VanDerWaalsContact OD2-CZ 3.26Å; D939-R941 IonicContact OD2-NE 3.65Å; D939-R941 PolarHBondContact OD2-NE 3.36Å; D939-R941 VanDerWaalsContact OD2-NE 3.1Å; D939-R941 IonicContact OD2-NH2 2.68Å; D939-R941 PolarHBondContact OD2-NH2 3.3Å; R941-L943 PolarHBondContact O-N 3.45Å; R941-T989 HydrophobicContact CB-CG2 4.38Å; R941-T989 HydrophobicContact CG-CG2 3.82Å; R941-I990 PolarHBondContact N-O 2.91Å; R941-F991 HydrophobicContact CB-CD1 4.23Å; R941-F991 HydrophobicContact CB-CE1 4.29Å; R941-V992 WeakPolarHBondContact O-CG2 3.22Å; R941-V992 PolarHBondContact O-N 3.46Å
942I96.4Very high91Very high5 Ų525.3 Ų25.33%0.02614%0.135CC..EExtended strand (participates in β ladder)trans-81.1116.2171.5-58.6-178.9000108.3A832 G944 L945 V992 I995 L1003 L1004A832-I942 PolarHBondContact O-N 2.93Å; I942-G944 PolarHBondContact O-N 3.41Å; I942-L945 HydrophobicContact CB-CB 4.05Å; I942-L945 HydrophobicContact CB-CD2 3.99Å; I942-L945 HydrophobicContact CD1-CD2 3.94Å; I942-L945 HydrophobicContact CG2-CB 3.75Å; I942-L945 HydrophobicContact CG2-CD2 3.84Å; I942-L945 HydrophobicContact CG2-CG 4.44Å; I942-L945 PolarHBondContact O-N 3.28Å; I942-V992 WeakPolarHBondContact CA-O 3.14Å; I942-I995 HydrophobicContact CD1-CD1 4.45Å; I942-I995 HydrophobicContact CG1-CD1 4.24Å; I942-I995 HydrophobicContact CG1-CG1 4.43Å; I942-L1003 HydrophobicContact CD1-CD2 4Å; I942-L1003 HydrophobicContact CD1-CG 4.13Å; I942-L1004 HydrophobicContact CG2-CD1 4.26Å
943L95.3Very high90.9Very high23 Ų2324.5 Ų24.512%0.1213%0.13CC..THydrogen-bonded Turntrans-58.4124.6-174.4-177.970.3000111.6R941 L945 F991 V992 C1019 Q1020 L1023R941-L943 PolarHBondContact O-N 3.45Å; L943-L945 PolarHBondContact O-N 2.98Å; L943-L945 VanDerWaalsContact O-N 3.17Å; L943-F991 HydrophobicContact CD1-CB 4.37Å; L943-F991 HydrophobicContact CD1-CD1 4.06Å; L943-F991 HydrophobicContact CD1-CG 4.43Å; L943-V992 WeakPolarHBondContact CB-O 3.36Å; L943-V992 PolarHBondContact N-O 2.95Å; L943-C1019 HydrophobicContact CD1-CB 4.11Å; L943-C1019 HydrophobicContact CG-CB 4.36Å; L943-Q1020 HydrophobicContact CD1-CB 4.45Å; L943-Q1020 HydrophobicContact CD2-CB 4.18Å; L943-L1023 HydrophobicContact CD1-CD1 3.84Å
944G93Very high90.7Very high0 Ų024.6 Ų24.60%013%0.126CC..THydrogen-bonded Turntrans74-7.3176.100000116.2I942 Q946 Q1015 D1016 C1019I942-G944 PolarHBondContact O-N 3.41Å; G944-Q946 PolarHBondContact O-N 2.83Å; G944-Q1015 WeakPolarHBondContact O-CA 3.38Å; G944-D1016 PolarHBondContact O-N 2.93Å; G944-C1019 VanDerWaalsContact CA-CB 3.49Å; G944-C1019 VanDerWaalsContact CA-SG 3.58Å; G944-C1019 PolarHBondContact N-SG 2.96Å; G944-C1019 VanDerWaalsContact N-SG 3.35Å
945L95Very high89.9Confident0 Ų024.6 Ų24.60%013%0.126CC..EExtended strand (participates in β ladder)trans-77.4109.7-175.4-17961.1000111.6A832 I942 L943 W954 L1004 V1007A832-L945 HydrophobicContact CB-CB 4.01Å; A832-L945 HydrophobicContact CB-CD2 3.96Å; A832-L945 HydrophobicContact CB-CG 3.94Å; A832-L945 VanDerWaalsContact CB-O 3.25Å; A832-L945 WeakPolarHBondContact CB-O 3.49Å; I942-L945 HydrophobicContact CB-CB 4.05Å; I942-L945 HydrophobicContact CB-CD2 3.99Å; I942-L945 HydrophobicContact CD1-CD2 3.94Å; I942-L945 HydrophobicContact CG2-CB 3.75Å; I942-L945 HydrophobicContact CG2-CD2 3.84Å; I942-L945 HydrophobicContact CG2-CG 4.44Å; I942-L945 PolarHBondContact O-N 3.28Å; L943-L945 PolarHBondContact O-N 2.98Å; L943-L945 VanDerWaalsContact O-N 3.17Å; L945-W954 HydrophobicContact CD1-CH2 4.44Å; L945-W954 HydrophobicContact CD1-CZ2 4.43Å; L945-W954 HydrophobicContact CG-CH2 4.47Å; L945-W954 HydrophobicContact CG-CZ2 4.06Å; L945-L1004 HydrophobicContact CD1-CD1 3.86Å; L945-L1004 HydrophobicContact CD2-CD1 3.86Å; L945-L1004 HydrophobicContact CG-CD1 4.29Å; L945-V1007 HydrophobicContact CD1-CG1 4.43Å; L945-V1007 HydrophobicContact CD2-CG1 4.25Å
946Q91.3Very high89.1Confident1 Ų127.5 Ų27.51%0.00514%0.144CC..EExtended strand (participates in β ladder)trans-132.3154.3-17761.5-173.1-42.200111.4R757 F790 G944 R952 S1013 H1014 D1016R757-Q946 VanDerWaalsContact NH2-NE2 3.19Å; F790-Q946 HydrophobicContact CE1-CB 4.04Å; F790-Q946 HydrophobicContact CZ-CB 4.09Å; G944-Q946 PolarHBondContact O-N 2.83Å; Q946-R952 HydrophobicContact CB-CG 4.37Å; Q946-S1013 CarbonylContact O-C 3.54Å; Q946-S1013 VanDerWaalsContact O-CA 3.3Å; Q946-S1013 WeakPolarHBondContact O-CA 3.48Å; Q946-S1013 WeakPolarHBondContact O-CB 3.33Å; Q946-H1014 HydrophobicContact CG-CB 4.47Å; Q946-H1014 WeakPolarHBondContact CG-O 3.48Å; Q946-H1014 PolarHBondContact N-O 3.15Å; Q946-H1014 PolarHBondContact O-N 2.89Å; Q946-D1016 PolarHBondContact NE2-OD2 2.87Å
947P88.1Confident87.9Confident8 Ų830.8 Ų30.85%0.05216%0.161CC..EExtended strand (participates in β ladder)trans-73.6165173.732.8-33.5000110.7S949 W954P947-S949 PolarHBondContact O-N 3.36Å; P947-W954 HydrophobicContact CB-CD2 3.99Å; P947-W954 HydrophobicContact CB-CE3 4Å; P947-W954 HydrophobicContact CB-CG 4.5Å; P947-W954 HydrophobicContact CB-CZ3 4.3Å; P947-W954 HydrophobicContact CG-CD2 4.17Å; P947-W954 HydrophobicContact CG-CG 4.27Å
948E80Confident87.3Confident61 Ų6130.8 Ų30.829%0.28516%0.161SC..SBendtrans-72.454.7171.1-71.4170.4-152.600112.7M751 R1012 S1013M751-E948 HydrophobicContact CE-CB 3.93Å; M751-E948 HydrophobicContact CE-CG 4.08Å; E948-R1012 HydrophobicContact CB-CB 4.1Å; E948-R1012 VanDerWaalsContact CD-CB 3.42Å; E948-R1012 HydrophobicContact CG-CB 4.03Å; E948-R1012 PolarHBondContact N-O 3.49Å; E948-R1012 WeakPolarHBondContact OE1-CA 3.44Å; E948-R1012 WeakPolarHBondContact OE2-CB 3.42Å; E948-R1012 WeakPolarHBondContact OE2-CD 3.5Å; E948-R1012 WeakPolarHBondContact OE2-CG 3.5Å; E948-R1012 IonicContact OE2-NH1 3.56Å; E948-S1013 PolarHBondContact OE1-N 2.88Å
949S83Confident86.9Confident36 Ų3634 Ų3425%0.25217%0.173SC..SBendtrans-145143175.368.90000111.6P947 D951 R952P947-S949 PolarHBondContact O-N 3.36Å; S949-D951 VanDerWaalsContact C-N 3.34Å; S949-D951 PolarHBondContact O-N 3.45Å; S949-R952 PolarHBondContact O-N 3.1Å; S949-R952 VanDerWaalsContact O-N 3.1Å; S949-R952 PolarHBondContact OG-N 2.91Å
950L85Confident86.2Confident2 Ų235.6 Ų35.61%0.0118%0.182CC..THydrogen-bonded Turntrans-67.1-34.8-179.3-62.3-171.1000112.8W744 C747 D748 M751 L762 Q786 R952W744-L950 HydrophobicContact CD2-CD1 3.76Å; W744-L950 HydrophobicContact CE3-CD1 4.29Å; W744-L950 HydrophobicContact CG-CD1 4.08Å; W744-L950 HydrophobicContact CH2-CD1 4.44Å; W744-L950 HydrophobicContact CZ2-CB 3.77Å; W744-L950 HydrophobicContact CZ2-CD1 3.93Å; W744-L950 HydrophobicContact CZ2-CG 4.42Å; C747-L950 HydrophobicContact CB-CD1 3.71Å; C747-L950 HydrophobicContact CB-CD2 4.2Å; D748-L950 HydrophobicContact CB-CD1 3.94Å; M751-L950 HydrophobicContact CG-CD2 4.07Å; L762-L950 HydrophobicContact CD2-CD2 3.65Å; Q786-L950 PolarHBondContact NE2-O 2.96Å; L950-R952 PolarHBondContact O-N 2.92Å
951D82.4Confident85.5Confident63 Ų6337.5 Ų37.534%0.33719%0.192SC..THydrogen-bonded Turntrans-68.7-13.1175-58.2-56.9000112.7Q786 S949 I953Q786-D951 PolarHBondContact NE2-O 2.87Å; S949-D951 VanDerWaalsContact C-N 3.34Å; S949-D951 PolarHBondContact O-N 3.45Å; D951-I953 HydrophobicContact CB-CD1 4.12Å; D951-I953 HydrophobicContact CB-CG1 4.06Å; D951-I953 PolarHBondContact O-N 3.31Å; D951-I953 VanDerWaalsContact O-N 3.14Å
952R87.6Confident85.1Confident14 Ų1435.5 Ų35.55%0.05319%0.185CC..  trans57.421.8179.1-66.3150.5147.9179.8-7.8114.2Q786 F790 D792 Q946 S949 L950Q786-R952 VanDerWaalsContact OE1-NH1 3.14Å; F790-R952 HydrophobicContact CE2-CB 4.02Å; F790-R952 HydrophobicContact CE2-CG 4.19Å; D792-R952 PolarHBondContact O-NH1 3.04Å; D792-R952 IonicContact OD1-CZ 3.34Å; D792-R952 IonicContact OD1-NH1 3.34Å; D792-R952 PolarHBondContact OD1-NH1 3.47Å; D792-R952 IonicContact OD1-NH2 2.75Å; D792-R952 PolarHBondContact OD1-NH2 2.69Å; D792-R952 IonicContact OD2-NH2 3.48Å; D792-R952 PolarHBondContact OD2-NH2 2.62Å; Q946-R952 HydrophobicContact CB-CG 4.37Å; S949-R952 PolarHBondContact O-N 3.1Å; S949-R952 VanDerWaalsContact O-N 3.1Å; S949-R952 PolarHBondContact OG-N 2.91Å; L950-R952 PolarHBondContact O-N 2.92Å
953I84.6Confident84.7Confident123 Ų12340 Ų4063%0.63120%0.201SC*.PPolyproline II helixtrans-83.1119.3177.4-57.5177.1000108.5D951D951-I953 HydrophobicContact CB-CD1 4.12Å; D951-I953 HydrophobicContact CB-CG1 4.06Å; D951-I953 PolarHBondContact O-N 3.31Å; D951-I953 VanDerWaalsContact O-N 3.14Å
954W85.1Confident84.1Confident28 Ų2845.3 Ų45.311%0.10622%0.223CC..PPolyproline II helixtrans-75.4137.9169.1-70.196000110.2S830 P831 A832 L945 P947 A958 V1007 F1011S830-W954 VanDerWaalsContact CB-CD1 3.49Å; P831-W954 HydrophobicContact CB-CD2 4.17Å; P831-W954 HydrophobicContact CB-CE3 4.06Å; P831-W954 HydrophobicContact CB-CH2 4.04Å; P831-W954 HydrophobicContact CB-CZ2 4.18Å; P831-W954 HydrophobicContact CB-CZ3 3.99Å; P831-W954 HydrophobicContact CG-CD2 3.86Å; P831-W954 HydrophobicContact CG-CE3 3.59Å; P831-W954 HydrophobicContact CG-CG 4.38Å; P831-W954 HydrophobicContact CG-CH2 4.45Å; P831-W954 HydrophobicContact CG-CZ3 3.91Å; A832-W954 HydrophobicContact CB-CZ2 4.23Å; L945-W954 HydrophobicContact CD1-CH2 4.44Å; L945-W954 HydrophobicContact CD1-CZ2 4.43Å; L945-W954 HydrophobicContact CG-CH2 4.47Å; L945-W954 HydrophobicContact CG-CZ2 4.06Å; P947-W954 HydrophobicContact CB-CD2 3.99Å; P947-W954 HydrophobicContact CB-CE3 4Å; P947-W954 HydrophobicContact CB-CG 4.5Å; P947-W954 HydrophobicContact CB-CZ3 4.3Å; P947-W954 HydrophobicContact CG-CD2 4.17Å; P947-W954 HydrophobicContact CG-CG 4.27Å; W954-A958 HydrophobicContact CE3-CB 4.27Å; W954-V1007 HydrophobicContact CH2-CG1 3.7Å; W954-V1007 HydrophobicContact CZ3-CG1 4.12Å; W954-F1011 HydrophobicContact CZ3-CB 4.1Å
955P75Confident83.6Confident58 Ų5847.9 Ų47.938%0.37724%0.237SC..PPolyproline II helixtrans-68.6147.8175.528.7-33.6000111.3D957 A958 R959P955-D957 PolarHBondContact O-N 2.95Å; P955-D957 VanDerWaalsContact O-N 3.1Å; P955-A958 HydrophobicContact CG-CB 3.9Å; P955-A958 PolarHBondContact O-N 3.31Å; P955-R959 PolarHBondContact O-N 3.45Å
956D76Confident83.2Confident94 Ų9447.9 Ų47.950%0.50324%0.237SC..Hα-helixtrans-52.1-35178.3-71.1-73.7000112.8R959 N960D956-R959 PolarHBondContact O-N 2.74Å; D956-R959 IonicContact OD1-CZ 3.6Å; D956-R959 IonicContact OD1-NH1 2.67Å; D956-R959 PolarHBondContact OD1-NH1 3.31Å; D956-R959 IonicContact OD1-NH2 2.62Å; D956-R959 PolarHBondContact OD1-NH2 2.87Å; D956-N960 VanDerWaalsContact O-CB 3.27Å; D956-N960 WeakPolarHBondContact O-CB 3.41Å; D956-N960 PolarHBondContact O-N 2.93Å; D956-N960 PolarHBondContact O-ND2 3.24Å; D956-N960 VanDerWaalsContact O-ND2 3.14Å
957D70.6Confident82.9Confident72 Ų7248.8 Ų48.839%0.38524%0.241SC..Hα-helixtrans-67.9-34179.6-61.6-53.9000113.1P955 N960 L961P955-D957 PolarHBondContact O-N 2.95Å; P955-D957 VanDerWaalsContact O-N 3.1Å; D957-N960 PolarHBondContact O-N 2.89Å; D957-L961 VanDerWaalsContact O-CB 3.25Å; D957-L961 WeakPolarHBondContact O-CB 3.45Å; D957-L961 PolarHBondContact O-N 3.48Å
958A80.7Confident82.3Confident1 Ų156.7 Ų56.71%0.00827%0.27CS..Hα-helixtrans-69-44174.300000111.2P831 W954 P955 N960 L961 V962 F1011P831-A958 HydrophobicContact CG-CB 3.86Å; W954-A958 HydrophobicContact CE3-CB 4.27Å; P955-A958 HydrophobicContact CG-CB 3.9Å; P955-A958 PolarHBondContact O-N 3.31Å; A958-N960 VanDerWaalsContact C-N 3.34Å; A958-N960 PolarHBondContact O-N 3.01Å; A958-L961 PolarHBondContact O-N 2.81Å; A958-V962 WeakPolarHBondContact O-CB 3.49Å; A958-V962 WeakPolarHBondContact O-CG2 3.45Å; A958-V962 PolarHBondContact O-N 3.29Å; A958-F1011 HydrophobicContact CB-CD1 3.7Å; A958-F1011 HydrophobicContact CB-CE1 3.5Å; A958-F1011 VanDerWaalsContact CB-CE1 3.5Å; A958-F1011 HydrophobicContact CB-CE2 4.35Å; A958-F1011 HydrophobicContact CB-CG 4.21Å; A958-F1011 HydrophobicContact CB-CZ 3.84Å
959R86.8Confident81.3Confident67 Ų6758.3 Ų58.325%0.25327%0.273SS..Hα-helixtrans-59-45.1170.9-177.6-165.769.4-135.9-12.4111.2C828 Y829 P955 D956 R963C828-R959 WeakPolarHBondContact O-CD 3.32Å; C828-R959 WeakPolarHBondContact O-CG 3.46Å; Y829-R959 WeakPolarHBondContact O-CD 3.33Å; Y829-R959 WeakPolarHBondContact O-CG 3.39Å; P955-R959 PolarHBondContact O-N 3.45Å; D956-R959 PolarHBondContact O-N 2.74Å; D956-R959 IonicContact OD1-CZ 3.6Å; D956-R959 IonicContact OD1-NH1 2.67Å; D956-R959 PolarHBondContact OD1-NH1 3.31Å; D956-R959 IonicContact OD1-NH2 2.62Å; D956-R959 PolarHBondContact OD1-NH2 2.87Å; R959-R963 WeakPolarHBondContact O-CB 3.49Å; R959-R963 PolarHBondContact O-N 3.38Å
960N80.6Confident79.7Confident50 Ų5062.4 Ų62.427%0.26730%0.297SS..Hα-helixtrans-64.9-43.1-179.3-77.2-30.7000112.3D956 D957 A958 R963 K964D956-N960 VanDerWaalsContact O-CB 3.27Å; D956-N960 WeakPolarHBondContact O-CB 3.41Å; D956-N960 PolarHBondContact O-N 2.93Å; D956-N960 PolarHBondContact O-ND2 3.24Å; D956-N960 VanDerWaalsContact O-ND2 3.14Å; D957-N960 PolarHBondContact O-N 2.89Å; A958-N960 VanDerWaalsContact C-N 3.34Å; A958-N960 PolarHBondContact O-N 3.01Å; N960-R963 PolarHBondContact O-N 3.47Å; N960-R963 PolarHBondContact OD1-NH2 3.47Å; N960-K964 VanDerWaalsContact O-CB 3.26Å; N960-K964 WeakPolarHBondContact O-CB 3.34Å; N960-K964 PolarHBondContact O-N 3.07Å
961L82Confident77.8Confident40 Ų4070 Ų7021%0.20933%0.332CS..Hα-helixtrans-68.4-46.3178.5-168.7161.8000110.8D957 A958 R963 K964 D965 F1006 F1011D957-L961 VanDerWaalsContact O-CB 3.25Å; D957-L961 WeakPolarHBondContact O-CB 3.45Å; D957-L961 PolarHBondContact O-N 3.48Å; A958-L961 PolarHBondContact O-N 2.81Å; L961-R963 VanDerWaalsContact C-N 3.34Å; L961-R963 PolarHBondContact O-N 3.12Å; L961-K964 PolarHBondContact O-N 2.96Å; L961-D965 HydrophobicContact CD2-CB 4.12Å; L961-D965 WeakPolarHBondContact O-CB 3.49Å; L961-D965 PolarHBondContact O-N 2.98Å; L961-F1006 HydrophobicContact CD2-CE1 3.74Å; L961-F1006 HydrophobicContact CD2-CZ 3.59Å; L961-F1011 HydrophobicContact CB-CZ 4.09Å; L961-F1011 HydrophobicContact CD1-CE1 4.47Å; L961-F1011 HydrophobicContact CD1-CZ 4.19Å; L961-F1011 HydrophobicContact CD2-CZ 3.99Å; L961-F1011 HydrophobicContact CG-CZ 4.31Å
962V88.4Confident76.1Confident0 Ų075 Ų750%036%0.359CS..Iπ-helixtrans-58.9-45.5173.3169.70000111.2P831 A958 K964 F966 F967 L1003 F1006 V1007 F1011P831-V962 HydrophobicContact CB-CG2 4.08Å; P831-V962 HydrophobicContact CG-CG2 4Å; A958-V962 WeakPolarHBondContact O-CB 3.49Å; A958-V962 WeakPolarHBondContact O-CG2 3.45Å; A958-V962 PolarHBondContact O-N 3.29Å; V962-K964 VanDerWaalsContact C-N 3.32Å; V962-K964 PolarHBondContact O-N 3.29Å; V962-F966 HydrophobicContact CG1-CB 4.46Å; V962-F966 WeakPolarHBondContact O-CB 3.49Å; V962-F966 PolarHBondContact O-N 2.81Å; V962-F966 VanDerWaalsContact O-N 3.09Å; V962-F967 HydrophobicContact CG1-CD2 3.88Å; V962-F967 HydrophobicContact CG1-CE2 3.52Å; V962-F967 HydrophobicContact CG1-CZ 4.32Å; V962-F967 PolarHBondContact O-N 2.74Å; V962-L1003 HydrophobicContact CG1-CD1 3.79Å; V962-F1006 HydrophobicContact CG2-CD1 4.26Å; V962-F1006 HydrophobicContact CG2-CE1 3.99Å; V962-V1007 HydrophobicContact CG2-CG2 3.94Å; V962-F1011 HydrophobicContact CG2-CE2 3.94Å; V962-F1011 HydrophobicContact CG2-CZ 4.49Å
963R87.4Confident74.5Confident99 Ų9979.6 Ų79.637%0.37438%0.379SS..Iπ-helixtrans-59.3-38.1175.8-177.517464.9149.2-3113.2C828 R959 N960 L961 R968C828-R963 HydrophobicContact CB-CB 4.43Å; R959-R963 WeakPolarHBondContact O-CB 3.49Å; R959-R963 PolarHBondContact O-N 3.38Å; N960-R963 PolarHBondContact O-N 3.47Å; N960-R963 PolarHBondContact OD1-NH2 3.47Å; L961-R963 VanDerWaalsContact C-N 3.34Å; L961-R963 PolarHBondContact O-N 3.12Å; R963-R968 WeakPolarHBondContact O-CB 3.32Å; R963-R968 WeakPolarHBondContact O-CD 3.43Å; R963-R968 WeakPolarHBondContact O-CG 3.43Å; R963-R968 PolarHBondContact O-N 3.24Å; R963-R968 VanDerWaalsContact O-N 3.15Å
964K82.7Confident73.2Confident134 Ų13483.4 Ų83.458%0.58339%0.386SS*.Iπ-helixtrans-85.5-50.6-177.2-173.8-177.4154.9-90.40112.7N960 L961 V962 R968N960-K964 VanDerWaalsContact O-CB 3.26Å; N960-K964 WeakPolarHBondContact O-CB 3.34Å; N960-K964 PolarHBondContact O-N 3.07Å; L961-K964 PolarHBondContact O-N 2.96Å; V962-K964 VanDerWaalsContact C-N 3.32Å; V962-K964 PolarHBondContact O-N 3.29Å; K964-R968 CarbonylContact O-C 3.52Å; K964-R968 VanDerWaalsContact O-C 3.26Å; K964-R968 WeakPolarHBondContact O-CB 3.45Å
965D82.7Confident72.2Confident55 Ų5587.1 Ų87.129%0.29441%0.408SS..Iπ-helixtrans-102.2-11.9-163.3-63-3.8000113.4L961 R969 F1006L961-D965 HydrophobicContact CD2-CB 4.12Å; L961-D965 WeakPolarHBondContact O-CB 3.49Å; L961-D965 PolarHBondContact O-N 2.98Å; D965-R969 WeakPolarHBondContact O-CD 3.31Å; D965-R969 WeakPolarHBondContact O-CG 3.49Å; D965-R969 PolarHBondContact O-NE 3.48Å; D965-F1006 HydrophobicContact CB-CZ 4.04Å
966F86.8Confident72.4Confident0 Ų085.4 Ų85.40%039%0.394CS..Iπ-helixtrans-106.7-61.7166.7-170.7-87000111.1V962 R976 F978 N1001 L1003 F1006V962-F966 HydrophobicContact CG1-CB 4.46Å; V962-F966 WeakPolarHBondContact O-CB 3.49Å; V962-F966 PolarHBondContact O-N 2.81Å; V962-F966 VanDerWaalsContact O-N 3.09Å; F966-R976 PolarHBondContact O-NH1 2.84Å; F966-F978 HydrophobicContact CD1-CE1 4.44Å; F966-F978 HydrophobicContact CE1-CD1 4.25Å; F966-F978 AromaticContact CE1-CE1 3.99Å; F966-F978 HydrophobicContact CE1-CE1 3.99Å; F966-N1001 HydrophobicContact CE2-CB 3.92Å; F966-N1001 HydrophobicContact CZ-CB 4.39Å; F966-N1001 WeakPolarHBondContact CZ-O 3.32Å; F966-L1003 HydrophobicContact CB-CD1 4.32Å; F966-L1003 HydrophobicContact CD1-CB 4.47Å; F966-L1003 HydrophobicContact CD1-CD1 3.81Å; F966-L1003 HydrophobicContact CD2-CD1 4.07Å; F966-L1003 HydrophobicContact CE1-CB 3.9Å; F966-L1003 HydrophobicContact CE1-CD1 4.12Å; F966-L1003 HydrophobicContact CE1-CD2 4.44Å; F966-L1003 HydrophobicContact CE1-CG 4.37Å; F966-L1003 HydrophobicContact CE2-CB 4.05Å; F966-L1003 HydrophobicContact CE2-CD1 4.35Å; F966-L1003 HydrophobicContact CG-CD1 3.79Å; F966-L1003 HydrophobicContact CZ-CB 3.67Å; F966-L1003 HydrophobicContact CZ-CD1 4.38Å; F966-F1006 HydrophobicContact CB-CD1 4.14Å; F966-F1006 HydrophobicContact CB-CD2 4.46Å; F966-F1006 HydrophobicContact CB-CE1 4.04Å; F966-F1006 HydrophobicContact CB-CE2 4.34Å; F966-F1006 HydrophobicContact CB-CG 4.37Å; F966-F1006 HydrophobicContact CB-CZ 4.13Å; F966-F1006 HydrophobicContact CD2-CB 3.86Å; F966-F1006 HydrophobicContact CD2-CD1 4.25Å; F966-F1006 AromaticContact CD2-CD2 3.88Å; F966-F1006 HydrophobicContact CD2-CD2 3.88Å; F966-F1006 AromaticContact CD2-CG 3.74Å; F966-F1006 HydrophobicContact CD2-CG 3.74Å; F966-F1006 HydrophobicContact CE2-CB 4.22Å; F966-F1006 HydrophobicContact CG-CG 4.45Å
967F85.9Confident72.8Confident19 Ų1984.6 Ų84.68%0.08339%0.387CS..Iπ-helixtrans-71-47-174.7-65.7-54.3000113.3V825 C828 L834 V962 R969 R976 F978 L1003V825-F967 HydrophobicContact CG2-CD1 3.96Å; V825-F967 HydrophobicContact CG2-CE1 3.77Å; V825-F967 HydrophobicContact CG2-CZ 4.3Å; C828-F967 HydrophobicContact CB-CD2 4.12Å; C828-F967 HydrophobicContact CB-CE2 4.06Å; L834-F967 HydrophobicContact CD1-CE1 4.31Å; L834-F967 HydrophobicContact CD1-CE2 4.37Å; L834-F967 HydrophobicContact CD1-CZ 3.64Å; L834-F967 HydrophobicContact CD2-CE2 3.62Å; L834-F967 HydrophobicContact CD2-CZ 3.73Å; L834-F967 HydrophobicContact CG-CZ 4.37Å; V962-F967 HydrophobicContact CG1-CD2 3.88Å; V962-F967 HydrophobicContact CG1-CE2 3.52Å; V962-F967 HydrophobicContact CG1-CZ 4.32Å; V962-F967 PolarHBondContact O-N 2.74Å; F967-R969 VanDerWaalsContact C-N 3.35Å; F967-R969 PolarHBondContact O-N 2.92Å; F967-R976 PolarHBondContact O-NH1 3.47Å; F967-F978 HydrophobicContact CD1-CD1 4.22Å; F967-F978 AromaticContact CD1-CE1 3.66Å; F967-F978 HydrophobicContact CD1-CE1 3.66Å; F967-F978 HydrophobicContact CD1-CE2 4.22Å; F967-F978 AromaticContact CD1-CZ 3.67Å; F967-F978 HydrophobicContact CD1-CZ 3.67Å; F967-F978 HydrophobicContact CE1-CD1 4.25Å; F967-F978 HydrophobicContact CE1-CE1 4.12Å; F967-F978 HydrophobicContact CE1-CZ 4.47Å; F967-L1003 HydrophobicContact CE1-CD2 4.17Å; F967-L1003 HydrophobicContact CE2-CD2 4.44Å; F967-L1003 HydrophobicContact CZ-CD2 3.58Å
968R75.1Confident73.9Confident174 Ų17481.5 Ų81.566%0.65737%0.37SS*.THydrogen-bonded Turntrans-9122-179.8-65.6172174.8-160.2-3.2114.6R963 K964R963-R968 WeakPolarHBondContact O-CB 3.32Å; R963-R968 WeakPolarHBondContact O-CD 3.43Å; R963-R968 WeakPolarHBondContact O-CG 3.43Å; R963-R968 PolarHBondContact O-N 3.24Å; R963-R968 VanDerWaalsContact O-N 3.15Å; K964-R968 CarbonylContact O-C 3.52Å; K964-R968 VanDerWaalsContact O-C 3.26Å; K964-R968 WeakPolarHBondContact O-CB 3.45Å
969R58.8Low74.7Confident95 Ų9584.3 Ų84.336%0.35838%0.383SS..  trans-54138.7-177-140.9173.9-136.7-166.3-1.9111.7D965 F967 H971 N1001D965-R969 WeakPolarHBondContact O-CD 3.31Å; D965-R969 WeakPolarHBondContact O-CG 3.49Å; D965-R969 PolarHBondContact O-NE 3.48Å; F967-R969 VanDerWaalsContact C-N 3.35Å; F967-R969 PolarHBondContact O-N 2.92Å; R969-H971 PolarHBondContact O-N 2.81Å; R969-N1001 PolarHBondContact NH1-OD1 2.93Å
970T49.8Very low75.2Confident123 Ų12381.2 Ų81.276%0.75537%0.371SS*.SBendtrans-76.9102-161.945.80000114
971H44.6Very low76Confident161 Ų16182.3 Ų82.375%0.74538%0.38SS*.SBendtrans-162.143.5157.7-91.8-50.9000114.4R969 K973R969-H971 PolarHBondContact O-N 2.81Å; H971-K973 PolarHBondContact O-N 2.9Å
972N46.7Very low76.7Confident169 Ų16980.7 Ų80.790%0.90437%0.372SS*.  trans55.2-5.5171.3-81.5-13.5000119.4R974N972-R974 PolarHBondContact O-N 2.78Å
973K55.2Low77Confident109 Ų10983.8 Ų83.847%0.47439%0.386SS..  trans-61.193.2174.6-68.4177.6-178.7174.80110H971 N975 R976 E999H971-K973 PolarHBondContact O-N 2.9Å; K973-N975 PolarHBondContact O-N 3.12Å; K973-R976 HydrophobicContact CB-CG 3.96Å; K973-E999 IonicContact NZ-OE1 3.62Å; K973-E999 PolarHBondContact NZ-OE1 2.91Å
974R57.4Low77.2Confident203 Ų20380 Ų8077%0.76637%0.374SS*.SBendtrans-60.2-28.5179.6-69.3-178.1176.6177.1-1.9112.4R847 N972R847-R974 PolarHBondContact NH2-O 2.92Å; N972-R974 PolarHBondContact O-N 2.78Å
975N63Low77.8Confident107 Ų10774.3 Ų74.357%0.57235%0.353SS*.SBendtrans-113.982.3174.6-61.7-8.5000109.1R847 K973R847-N975 PolarHBondContact NE-OD1 3.1Å; R847-N975 VanDerWaalsContact NE-OD1 3.13Å; R847-N975 PolarHBondContact NH2-OD1 2.77Å; K973-N975 PolarHBondContact O-N 3.12Å
976R78.6Confident78.2Confident22 Ų2272.4 Ų72.48%0.08334%0.342CS..  trans-81.6132.9160.9-59.8-173.179.7-148.95.3108.1L824 F966 F967 K973 F978 D997 E999L824-R976 WeakPolarHBondContact CD1-O 3.38Å; F966-R976 PolarHBondContact O-NH1 2.84Å; F967-R976 PolarHBondContact O-NH1 3.47Å; K973-R976 HydrophobicContact CB-CG 3.96Å; R976-F978 HydrophobicContact CB-CE2 4.05Å; R976-F978 HydrophobicContact CB-CZ 4.13Å; R976-D997 IonicContact CZ-OD2 3.34Å; R976-D997 IonicContact NH1-OD2 2.73Å; R976-D997 VanDerWaalsContact NH2-CG 3.32Å; R976-D997 IonicContact NH2-OD2 3.49Å; R976-D997 PolarHBondContact NH2-OD2 2.83Å; R976-E999 IonicContact NH2-OE2 3.81Å
977Q85.8Confident78.2Confident76 Ų7674.7 Ų74.736%0.35535%0.353SS..  trans-99.9163.2167.1-73.6-176.4-18.500109.8D998Q977-D998 WeakPolarHBondContact CB-OD1 3.31Å; Q977-D998 PolarHBondContact N-OD2 2.84Å; Q977-D998 VanDerWaalsContact O-CG 3.31Å
978F93.9Very high78.3Confident7 Ų777.2 Ų77.23%0.03136%0.362CS..EExtended strand (participates in β ladder)trans-135.6149.7176.2-60.1-88.4000107.7R822 F823 V825 F966 F967 R976 I995 Y996 D997R822-F978 WeakPolarHBondContact CA-O 3.2Å; F823-F978 WeakPolarHBondContact CD1-O 3.42Å; F823-F978 HydrophobicContact CD2-CB 4.03Å; F823-F978 HydrophobicContact CE1-CB 4.32Å; F823-F978 HydrophobicContact CE2-CB 3.55Å; F823-F978 HydrophobicContact CE2-CG 4.44Å; F823-F978 HydrophobicContact CZ-CB 3.72Å; F823-F978 PolarHBondContact N-O 3.24Å; F823-F978 PolarHBondContact O-N 3.4Å; V825-F978 HydrophobicContact CG2-CD2 3.85Å; V825-F978 HydrophobicContact CG2-CE2 4.21Å; V825-F978 HydrophobicContact CG2-CG 4.32Å; F966-F978 HydrophobicContact CD1-CE1 4.44Å; F966-F978 HydrophobicContact CE1-CD1 4.25Å; F966-F978 AromaticContact CE1-CE1 3.99Å; F966-F978 HydrophobicContact CE1-CE1 3.99Å; F967-F978 HydrophobicContact CD1-CD1 4.22Å; F967-F978 AromaticContact CD1-CE1 3.66Å; F967-F978 HydrophobicContact CD1-CE1 3.66Å; F967-F978 HydrophobicContact CD1-CE2 4.22Å; F967-F978 AromaticContact CD1-CZ 3.67Å; F967-F978 HydrophobicContact CD1-CZ 3.67Å; F967-F978 HydrophobicContact CE1-CD1 4.25Å; F967-F978 HydrophobicContact CE1-CE1 4.12Å; F967-F978 HydrophobicContact CE1-CZ 4.47Å; R976-F978 HydrophobicContact CB-CE2 4.05Å; R976-F978 HydrophobicContact CB-CZ 4.13Å; F978-I995 HydrophobicContact CB-CG2 4.21Å; F978-I995 HydrophobicContact CD1-CG2 4.48Å; F978-Y996 CarbonylContact C-O 3.52Å; F978-Y996 VanDerWaalsContact CA-O 3.25Å; F978-Y996 WeakPolarHBondContact CA-O 3.42Å; F978-D997 HydrophobicContact CD1-CB 3.67Å; F978-D997 HydrophobicContact CE1-CB 3.58Å
979H95.8Very high79.2Confident61 Ų6169.4 Ų69.428%0.28233%0.334SS..EExtended strand (participates in β ladder)trans-135.7150-178.864.1-84.9000112.1L820 I821 R822 Y996 D997L820-H979 HydrophobicContact CD1-CB 4.3Å; I821-H979 WeakPolarHBondContact O-CA 3.22Å; I821-H979 WeakPolarHBondContact O-CB 3.33Å; R822-H979 HydrophobicContact CG-CB 4.4Å; H979-Y996 PolarHBondContact N-O 3.05Å; H979-Y996 PolarHBondContact O-N 3.43Å; H979-D997 PolarHBondContact CE1-O 2.85Å
980A97.4Very high81Confident1 Ų164.9 Ų64.91%0.00832%0.317CS..EExtended strand (participates in β ladder)trans-154.9158.4-177.800000110.9I821 F823 V992 N994 I995I821-A980 HydrophobicContact CG1-CB 4.27Å; I821-A980 VanDerWaalsContact CG1-O 3.3Å; I821-A980 WeakPolarHBondContact CG1-O 3.39Å; I821-A980 PolarHBondContact N-O 3.27Å; I821-A980 PolarHBondContact O-N 3.1Å; I821-A980 VanDerWaalsContact O-N 3.16Å; F823-A980 HydrophobicContact CE1-CB 3.81Å; F823-A980 HydrophobicContact CZ-CB 4.4Å; A980-V992 HydrophobicContact CB-CB 3.99Å; A980-V992 HydrophobicContact CB-CG1 3.67Å; A980-V992 HydrophobicContact CB-CG2 4.18Å; A980-N994 VanDerWaalsContact CB-O 3.26Å; A980-N994 WeakPolarHBondContact CB-O 3.23Å; A980-I995 HydrophobicContact CB-CG1 4.23Å
981V97.1Very high83.2Confident73 Ų7359.2 Ų59.244%0.44228%0.281SS..EExtended strand (participates in β ladder)trans-105.2113.7176.2-177.40000109.6G819 L820 Q983G819-V981 WeakPolarHBondContact O-CA 3.47Å; L820-V981 HydrophobicContact CD1-CG2 4.03Å; V981-Q983 PolarHBondContact O-N 3.48Å; V981-Q983 PolarHBondContact O-NE2 2.87Å
982V96.9Very high85.8Confident6 Ų651.5 Ų51.54%0.03625%0.246CC..EExtended strand (participates in β ladder)trans-62.7127.6178.5-179.70000109.8P816 G819 I821 I990P816-V982 HydrophobicContact CB-CG2 4.38Å; P816-V982 HydrophobicContact CG-CG2 4.28Å; G819-V982 PolarHBondContact O-N 2.88Å; I821-V982 HydrophobicContact CD1-CG2 3.99Å; I821-V982 HydrophobicContact CG1-CG2 4.04Å; I821-V982 HydrophobicContact CG2-CG2 3.7Å; V982-I990 HydrophobicContact CB-CG2 4.4Å; V982-I990 HydrophobicContact CG1-CG2 3.95Å; V982-I990 HydrophobicContact CG2-CG2 3.72Å
983Q94.9Very high88Confident66 Ų6651.4 Ų51.431%0.30823%0.233SC..EExtended strand (participates in β ladder)trans-93.7-45173.5-58.7-57.2-83.900111V981 F991 R993V981-Q983 PolarHBondContact O-N 3.48Å; V981-Q983 PolarHBondContact O-NE2 2.87Å; Q983-F991 PolarHBondContact N-O 2.85Å; Q983-R993 HydrophobicContact CG-CG 3.71Å
984S93.1Very high90Very high18 Ų1846.7 Ų46.713%0.12621%0.213CC..EExtended strand (participates in β ladder)trans-156.3156.2-179.854.90000109.3F991 Q1020S984-F991 PolarHBondContact O-N 3.3Å; S984-Q1020 PolarHBondContact OG-NE2 3.32Å; S984-Q1020 PolarHBondContact OG-OE1 3.39Å
985A93.9Very high91.9Very high15 Ų1537 Ų3712%0.12418%0.176CC..EExtended strand (participates in β ladder)trans-129.6125.4167.300000107.5P811 T989P811-A985 HydrophobicContact CB-CB 3.89Å; P811-A985 HydrophobicContact CG-CB 3.93Å; P811-A985 WeakPolarHBondContact CG-O 3.36Å; A985-T989 WeakPolarHBondContact CA-O 3.28Å
986I91.8Very high93.4Very high15 Ų1536 Ų368%0.07717%0.165CC..EExtended strand (participates in β ladder)trans-135.4128.4-174.6-50.9173.1000106.6M804 R988 T989 F991 L1023 M1026 V1027M804-I986 HydrophobicContact CE-CG2 3.99Å; M804-I986 HydrophobicContact SD-CG2 4.04Å; I986-R988 PolarHBondContact O-N 3.05Å; I986-T989 PolarHBondContact N-O 2.88Å; I986-T989 WeakPolarHBondContact O-CB 3.12Å; I986-T989 PolarHBondContact O-N 3.41Å; I986-T989 VanDerWaalsContact O-N 3.11Å; I986-F991 HydrophobicContact CB-CE2 4.21Å; I986-F991 HydrophobicContact CD1-CE2 4.25Å; I986-F991 HydrophobicContact CG1-CE2 4.33Å; I986-L1023 HydrophobicContact CD1-CB 3.87Å; I986-M1026 HydrophobicContact CG2-CE 4.28Å; I986-V1027 HydrophobicContact CD1-CG2 4.15Å; I986-V1027 HydrophobicContact CG2-CG2 3.61Å
987H87.1Confident94Very high49 Ų4935 Ų3523%0.22716%0.161CC..THydrogen-bonded Turntrans50.1-137.6-169.9-16460.7000111.4M804 E808 V809 P811 T989M804-H987 HydrophobicContact CE-CB 4.11Å; E808-H987 WeakPolarHBondContact CA-ND1 3.41Å; E808-H987 WeakPolarHBondContact CB-ND1 3.4Å; E808-H987 WeakPolarHBondContact O-CA 3.44Å; E808-H987 WeakPolarHBondContact O-CB 3.46Å; E808-H987 PolarHBondContact O-N 3.27Å; E808-H987 PolarHBondContact O-ND1 3.25Å; V809-H987 PolarHBondContact O-N 2.92Å; P811-H987 VanDerWaalsContact CA-O 3.26Å; P811-H987 WeakPolarHBondContact CA-O 3.49Å; P811-H987 WeakPolarHBondContact CB-O 3.43Å; H987-T989 PolarHBondContact O-N 2.89Å
988R87.9Confident93.9Very high72 Ų7234.9 Ų34.927%0.27216%0.163SC..THydrogen-bonded Turntrans-83.816.1179.2-60.4172.6-174.6-168.31.7113.4Y815 I986Y815-R988 VanDerWaalsContact CE1-C 3.48Å; Y815-R988 VanDerWaalsContact CE1-O 3.25Å; Y815-R988 WeakPolarHBondContact CE1-O 3.35Å; Y815-R988 PolarHBondContact OH-O 2.84Å; Y815-R988 VanDerWaalsContact OH-O 3.07Å; I986-R988 PolarHBondContact O-N 3.05Å
989T94.1Very high93.5Very high10 Ų1039.3 Ų39.36%0.06118%0.184CC..EExtended strand (participates in β ladder)trans-119.9133.4-171.9-45.50000112.3R941 A985 I986 H987 F991R941-T989 HydrophobicContact CB-CG2 4.38Å; R941-T989 HydrophobicContact CG-CG2 3.82Å; A985-T989 WeakPolarHBondContact CA-O 3.28Å; I986-T989 PolarHBondContact N-O 2.88Å; I986-T989 WeakPolarHBondContact O-CB 3.12Å; I986-T989 PolarHBondContact O-N 3.41Å; I986-T989 VanDerWaalsContact O-N 3.11Å; H987-T989 PolarHBondContact O-N 2.89Å; T989-F991 HydrophobicContact CG2-CD2 4.34Å; T989-F991 HydrophobicContact CG2-CE1 4.16Å; T989-F991 HydrophobicContact CG2-CE2 3.76Å; T989-F991 HydrophobicContact CG2-CZ 3.67Å
990I96.5Very high93Very high0 Ų038.9 Ų38.90%020%0.196CC..EExtended strand (participates in β ladder)trans-105.1128.1173.7-57.1171.3000108.7Y815 P816 I821 M938 D939 L940 R941 V982 V992Y815-I990 HydrophobicContact CD1-CD1 3.86Å; Y815-I990 HydrophobicContact CD1-CG1 3.59Å; Y815-I990 HydrophobicContact CE1-CD1 4.23Å; Y815-I990 HydrophobicContact CE1-CG1 3.97Å; P816-I990 HydrophobicContact CG-CD1 3.96Å; I821-I990 HydrophobicContact CD1-CG2 4.5Å; M938-I990 HydrophobicContact CB-CD1 4.05Å; M938-I990 HydrophobicContact CG-CD1 4.45Å; M938-I990 HydrophobicContact SD-CD1 3.65Å; D939-I990 PolarHBondContact O-N 3.09Å; L940-I990 HydrophobicContact CD1-CB 3.8Å; L940-I990 HydrophobicContact CD1-CG2 3.63Å; R941-I990 PolarHBondContact N-O 2.91Å; V982-I990 HydrophobicContact CB-CG2 4.4Å; V982-I990 HydrophobicContact CG1-CG2 3.95Å; V982-I990 HydrophobicContact CG2-CG2 3.72Å; I990-V992 HydrophobicContact CG2-CG1 4.47Å
991F96.8Very high92.6Very high3 Ų341.2 Ų41.21%0.01321%0.208CC..EExtended strand (participates in β ladder)trans-105.8131.3178.4-65.5-86000111.5R941 L943 Q983 S984 I986 T989 L1023R941-F991 HydrophobicContact CB-CD1 4.23Å; R941-F991 HydrophobicContact CB-CE1 4.29Å; L943-F991 HydrophobicContact CD1-CB 4.37Å; L943-F991 HydrophobicContact CD1-CD1 4.06Å; L943-F991 HydrophobicContact CD1-CG 4.43Å; Q983-F991 PolarHBondContact N-O 2.85Å; S984-F991 PolarHBondContact O-N 3.3Å; I986-F991 HydrophobicContact CB-CE2 4.21Å; I986-F991 HydrophobicContact CD1-CE2 4.25Å; I986-F991 HydrophobicContact CG1-CE2 4.33Å; T989-F991 HydrophobicContact CG2-CD2 4.34Å; T989-F991 HydrophobicContact CG2-CE1 4.16Å; T989-F991 HydrophobicContact CG2-CE2 3.76Å; T989-F991 HydrophobicContact CG2-CZ 3.67Å; F991-L1023 HydrophobicContact CD1-CD1 4.04Å; F991-L1023 HydrophobicContact CD2-CD1 4.46Å; F991-L1023 HydrophobicContact CE1-CD1 3.69Å; F991-L1023 HydrophobicContact CE2-CD1 4.16Å; F991-L1023 HydrophobicContact CG-CD1 4.41Å; F991-L1023 HydrophobicContact CZ-CD1 3.75Å; F991-L1023 HydrophobicContact CZ-CD2 4.11Å
992V97.2Very high92.4Very high0 Ų039.8 Ų39.80%020%0.199CC..EExtended strand (participates in β ladder)trans-130151.2178.5-65.20000110.3L940 R941 I942 L943 A980 I990 N994 I995L940-V992 HydrophobicContact CD1-CG1 3.71Å; L940-V992 HydrophobicContact CD1-CG2 4.07Å; L940-V992 HydrophobicContact CG-CG2 4.29Å; R941-V992 WeakPolarHBondContact O-CG2 3.22Å; R941-V992 PolarHBondContact O-N 3.46Å; I942-V992 WeakPolarHBondContact CA-O 3.14Å; L943-V992 WeakPolarHBondContact CB-O 3.36Å; L943-V992 PolarHBondContact N-O 2.95Å; A980-V992 HydrophobicContact CB-CB 3.99Å; A980-V992 HydrophobicContact CB-CG1 3.67Å; A980-V992 HydrophobicContact CB-CG2 4.18Å; I990-V992 HydrophobicContact CG2-CG1 4.47Å; V992-N994 VanDerWaalsContact C-N 3.33Å; V992-I995 HydrophobicContact CG2-CD1 4.43Å; V992-I995 HydrophobicContact CG2-CG1 3.96Å
993R94.8Very high92.3Very high166 Ų16639.6 Ų39.663%0.62620%0.197SC*.SBendtrans-70.6-32172.7-65.9-168.9-169.9-153.9-0.7112.5Q983Q983-R993 HydrophobicContact CG-CG 3.71Å
994N96.1Very high92.2Very high10 Ų1037.4 Ų37.45%0.05319%0.187CC..  trans-161.4167.7-173.2-155.4-5.4000111.1A980 V992 Y996 D1002 L1004A980-N994 VanDerWaalsContact CB-O 3.26Å; A980-N994 WeakPolarHBondContact CB-O 3.23Å; V992-N994 VanDerWaalsContact C-N 3.33Å; N994-Y996 HydrophobicContact CB-CE2 4.01Å; N994-Y996 WeakPolarHBondContact ND2-CE1 3.42Å; N994-Y996 PolarHBondContact ND2-OH 3.14Å; N994-D1002 PolarHBondContact ND2-OD1 3.41Å; N994-D1002 PolarHBondContact ND2-OD2 2.78Å; N994-D1002 PolarHBondContact OD1-OD1 2.84Å; N994-D1002 VanDerWaalsContact OD1-OD1 3.13Å; N994-L1004 HydrophobicContact CB-CB 4.5Å; N994-L1004 WeakPolarHBondContact OD1-CB 3.35Å; N994-L1004 PolarHBondContact OD1-N 3.19Å
995I96.7Very high92.1Very high1 Ų139 Ų391%0.00520%0.198CC..  trans-130132.2174-66174.6000108.4F823 L834 L940 I942 F978 A980 V992 L1003F823-I995 HydrophobicContact CE2-CG2 4.35Å; F823-I995 HydrophobicContact CZ-CB 4.48Å; F823-I995 HydrophobicContact CZ-CD1 4.11Å; F823-I995 HydrophobicContact CZ-CG1 4.07Å; F823-I995 HydrophobicContact CZ-CG2 3.73Å; L834-I995 HydrophobicContact CD1-CD1 3.5Å; L940-I995 HydrophobicContact CD2-CD1 3.67Å; L940-I995 HydrophobicContact CD2-CG1 4.26Å; L940-I995 HydrophobicContact CG-CD1 4.31Å; I942-I995 HydrophobicContact CD1-CD1 4.45Å; I942-I995 HydrophobicContact CG1-CD1 4.24Å; I942-I995 HydrophobicContact CG1-CG1 4.43Å; F978-I995 HydrophobicContact CB-CG2 4.21Å; F978-I995 HydrophobicContact CD1-CG2 4.48Å; A980-I995 HydrophobicContact CB-CG1 4.23Å; V992-I995 HydrophobicContact CG2-CD1 4.43Å; V992-I995 HydrophobicContact CG2-CG1 3.96Å; I995-L1003 HydrophobicContact CB-CB 4.15Å; I995-L1003 HydrophobicContact CB-CD2 4.06Å; I995-L1003 HydrophobicContact CD1-CD2 4.24Å; I995-L1003 HydrophobicContact CG2-CD2 4.32Å; I995-L1003 VanDerWaalsContact O-CB 3.29Å; I995-L1003 WeakPolarHBondContact O-CB 3.38Å; I995-L1003 PolarHBondContact O-N 2.92Å
996Y95.4Very high91.9Very high85 Ų8538.8 Ų38.833%0.33320%0.195SC..EExtended strand (participates in β ladder)trans-117.6151.9178.3-53.7-79.3000110.8F978 H979 N994 N1001 D1002F978-Y996 CarbonylContact C-O 3.52Å; F978-Y996 VanDerWaalsContact CA-O 3.25Å; F978-Y996 WeakPolarHBondContact CA-O 3.42Å; H979-Y996 PolarHBondContact N-O 3.05Å; H979-Y996 PolarHBondContact O-N 3.43Å; N994-Y996 HydrophobicContact CB-CE2 4.01Å; N994-Y996 WeakPolarHBondContact ND2-CE1 3.42Å; N994-Y996 PolarHBondContact ND2-OH 3.14Å; Y996-N1001 WeakPolarHBondContact CA-O 3.43Å; Y996-D1002 HydrophobicContact CD1-CB 4.22Å; Y996-D1002 HydrophobicContact CE1-CB 4.06Å
997D90.3Very high91.8Very high0 Ų038.1 Ų38.10%019%0.191CC..EExtended strand (participates in β ladder)trans-97.4173.4169.97118.5000112.8R976 F978 H979 E999 G1000 N1001R976-D997 IonicContact CZ-OD2 3.34Å; R976-D997 IonicContact NH1-OD2 2.73Å; R976-D997 VanDerWaalsContact NH2-CG 3.32Å; R976-D997 IonicContact NH2-OD2 3.49Å; R976-D997 PolarHBondContact NH2-OD2 2.83Å; F978-D997 HydrophobicContact CD1-CB 3.67Å; F978-D997 HydrophobicContact CE1-CB 3.58Å; H979-D997 PolarHBondContact CE1-O 2.85Å; D997-E999 PolarHBondContact O-N 3.08Å; D997-E999 WeakPolarHBondContact OD1-CA 3.35Å; D997-E999 WeakPolarHBondContact OD1-CB 3.39Å; D997-E999 PolarHBondContact OD1-N 2.87Å; D997-G1000 PolarHBondContact O-N 3.36Å; D997-G1000 PolarHBondContact OD1-N 2.81Å; D997-N1001 PolarHBondContact N-O 2.87Å; D997-N1001 WeakPolarHBondContact OD1-CB 3.02Å; D997-N1001 PolarHBondContact OD1-N 3.43Å; D997-N1001 PolarHBondContact OD1-ND2 2.99Å; D997-N1001 WeakPolarHBondContact OD2-CB 3.34Å; D997-N1001 PolarHBondContact OD2-ND2 2.97Å
998D84.6Confident91.8Very high75 Ų7539.4 Ų39.440%0.40120%0.199SC..THydrogen-bonded Turntrans-57.6-12.2179.2-55.3-42.3000114.6Q977Q977-D998 WeakPolarHBondContact CB-OD1 3.31Å; Q977-D998 PolarHBondContact N-OD2 2.84Å; Q977-D998 VanDerWaalsContact O-CG 3.31Å
999E84.8Confident91.5Very high99 Ų9942 Ų4246%0.46322%0.218SC..THydrogen-bonded Turntrans-107.46.4179.8-73.4152.7-154.100111.7K973 R976 D997 N1001K973-E999 IonicContact NZ-OE1 3.62Å; K973-E999 PolarHBondContact NZ-OE1 2.91Å; R976-E999 IonicContact NH2-OE2 3.81Å; D997-E999 PolarHBondContact O-N 3.08Å; D997-E999 WeakPolarHBondContact OD1-CA 3.35Å; D997-E999 WeakPolarHBondContact OD1-CB 3.39Å; D997-E999 PolarHBondContact OD1-N 2.87Å; E999-N1001 VanDerWaalsContact C-N 3.32Å; E999-N1001 WeakPolarHBondContact CB-ND2 3.44Å; E999-N1001 PolarHBondContact O-N 3.47Å
1000G85.8Confident90.6Very high53 Ų5346 Ų4655%0.54623%0.232SC..  trans77.410.3179.800000114.6D997 D1002D997-G1000 PolarHBondContact O-N 3.36Å; D997-G1000 PolarHBondContact OD1-N 2.81Å; G1000-D1002 PolarHBondContact O-N 3.24Å
1001N89.9Confident89.8Confident49 Ų4947.5 Ų47.526%0.26224%0.239SC..  trans-69.3132177.2-59.4-100.6000110.2F966 R969 Y996 D997 E999F966-N1001 HydrophobicContact CE2-CB 3.92Å; F966-N1001 HydrophobicContact CZ-CB 4.39Å; F966-N1001 WeakPolarHBondContact CZ-O 3.32Å; R969-N1001 PolarHBondContact NH1-OD1 2.93Å; Y996-N1001 WeakPolarHBondContact CA-O 3.43Å; D997-N1001 PolarHBondContact N-O 2.87Å; D997-N1001 WeakPolarHBondContact OD1-CB 3.02Å; D997-N1001 PolarHBondContact OD1-N 3.43Å; D997-N1001 PolarHBondContact OD1-ND2 2.99Å; D997-N1001 WeakPolarHBondContact OD2-CB 3.34Å; D997-N1001 PolarHBondContact OD2-ND2 2.97Å; E999-N1001 VanDerWaalsContact C-N 3.32Å; E999-N1001 WeakPolarHBondContact CB-ND2 3.44Å; E999-N1001 PolarHBondContact O-N 3.47Å
1002D93Very high88.9Confident44 Ų4452.2 Ų52.224%0.23526%0.257CS..BIsolated β-bridgetrans-88.1123.4-179173.7-15.1000111.6N994 Y996 G1000 L1004 S1005 F1006N994-D1002 PolarHBondContact ND2-OD1 3.41Å; N994-D1002 PolarHBondContact ND2-OD2 2.78Å; N994-D1002 PolarHBondContact OD1-OD1 2.84Å; N994-D1002 VanDerWaalsContact OD1-OD1 3.13Å; Y996-D1002 HydrophobicContact CD1-CB 4.22Å; Y996-D1002 HydrophobicContact CE1-CB 4.06Å; G1000-D1002 PolarHBondContact O-N 3.24Å; D1002-L1004 WeakPolarHBondContact OD1-CA 3.47Å; D1002-L1004 WeakPolarHBondContact OD1-CB 3.33Å; D1002-L1004 PolarHBondContact OD1-N 3.39Å; D1002-S1005 VanDerWaalsContact CG-OG 3.25Å; D1002-S1005 PolarHBondContact OD1-N 3.4Å; D1002-S1005 WeakPolarHBondContact OD2-CB 3.4Å; D1002-S1005 PolarHBondContact OD2-OG 3.42Å; D1002-F1006 WeakPolarHBondContact O-CB 3.45Å; D1002-F1006 PolarHBondContact O-N 2.88Å
1003L93.8Very high88.4Confident1 Ų153 Ų531%0.00526%0.263CS..Hα-helixtrans-75-41.9177.5-179.755.1000113.4I942 V962 F966 F967 I995 F1006 V1007I942-L1003 HydrophobicContact CD1-CD2 4Å; I942-L1003 HydrophobicContact CD1-CG 4.13Å; V962-L1003 HydrophobicContact CG1-CD1 3.79Å; F966-L1003 HydrophobicContact CB-CD1 4.32Å; F966-L1003 HydrophobicContact CD1-CB 4.47Å; F966-L1003 HydrophobicContact CD1-CD1 3.81Å; F966-L1003 HydrophobicContact CD2-CD1 4.07Å; F966-L1003 HydrophobicContact CE1-CB 3.9Å; F966-L1003 HydrophobicContact CE1-CD1 4.12Å; F966-L1003 HydrophobicContact CE1-CD2 4.44Å; F966-L1003 HydrophobicContact CE1-CG 4.37Å; F966-L1003 HydrophobicContact CE2-CB 4.05Å; F966-L1003 HydrophobicContact CE2-CD1 4.35Å; F966-L1003 HydrophobicContact CG-CD1 3.79Å; F966-L1003 HydrophobicContact CZ-CB 3.67Å; F966-L1003 HydrophobicContact CZ-CD1 4.38Å; F967-L1003 HydrophobicContact CE1-CD2 4.17Å; F967-L1003 HydrophobicContact CE2-CD2 4.44Å; F967-L1003 HydrophobicContact CZ-CD2 3.58Å; I995-L1003 HydrophobicContact CB-CB 4.15Å; I995-L1003 HydrophobicContact CB-CD2 4.06Å; I995-L1003 HydrophobicContact CD1-CD2 4.24Å; I995-L1003 HydrophobicContact CG2-CD2 4.32Å; I995-L1003 VanDerWaalsContact O-CB 3.29Å; I995-L1003 WeakPolarHBondContact O-CB 3.38Å; I995-L1003 PolarHBondContact O-N 2.92Å; L1003-F1006 HydrophobicContact CD1-CD1 4.36Å; L1003-F1006 WeakPolarHBondContact O-CB 3.41Å; L1003-F1006 PolarHBondContact O-N 2.96Å; L1003-F1006 VanDerWaalsContact O-N 3.16Å; L1003-V1007 HydrophobicContact CD1-CG2 3.91Å; L1003-V1007 HydrophobicContact CG-CG2 4.42Å; L1003-V1007 WeakPolarHBondContact O-CB 3.43Å; L1003-V1007 VanDerWaalsContact O-CG2 3.28Å; L1003-V1007 WeakPolarHBondContact O-CG2 3.11Å; L1003-V1007 PolarHBondContact O-N 2.83Å
1004L93.3Very high88.1Confident20 Ų2048.3 Ų48.311%0.10525%0.248CC..Hα-helixtrans-59.3-49177.8177.164.9000110.5I942 L945 N994 D1002 F1006 V1007 I1008I942-L1004 HydrophobicContact CG2-CD1 4.26Å; L945-L1004 HydrophobicContact CD1-CD1 3.86Å; L945-L1004 HydrophobicContact CD2-CD1 3.86Å; L945-L1004 HydrophobicContact CG-CD1 4.29Å; N994-L1004 HydrophobicContact CB-CB 4.5Å; N994-L1004 WeakPolarHBondContact OD1-CB 3.35Å; N994-L1004 PolarHBondContact OD1-N 3.19Å; D1002-L1004 WeakPolarHBondContact OD1-CA 3.47Å; D1002-L1004 WeakPolarHBondContact OD1-CB 3.33Å; D1002-L1004 PolarHBondContact OD1-N 3.39Å; L1004-F1006 VanDerWaalsContact C-N 3.34Å; L1004-F1006 PolarHBondContact O-N 2.65Å; L1004-V1007 PolarHBondContact O-N 3.23Å; L1004-I1008 HydrophobicContact CD1-CD1 3.68Å; L1004-I1008 HydrophobicContact CD1-CG1 4.23Å; L1004-I1008 HydrophobicContact CG-CD1 3.9Å; L1004-I1008 WeakPolarHBondContact O-CG1 3.28Å; L1004-I1008 PolarHBondContact O-N 3.12Å
1005S91.1Very high87.8Confident51 Ų5151.2 Ų51.236%0.35726%0.261SS..Hα-helixtrans-66.1-33.7174-66.30000112.2D1002 V1007 N1009D1002-S1005 VanDerWaalsContact CG-OG 3.25Å; D1002-S1005 PolarHBondContact OD1-N 3.4Å; D1002-S1005 WeakPolarHBondContact OD2-CB 3.4Å; D1002-S1005 PolarHBondContact OD2-OG 3.42Å; S1005-V1007 VanDerWaalsContact C-N 3.29Å; S1005-V1007 PolarHBondContact O-N 3.45Å; S1005-N1009 WeakPolarHBondContact O-CB 3.33Å; S1005-N1009 PolarHBondContact O-N 2.79Å; S1005-N1009 PolarHBondContact O-ND2 3.34Å
1006F89.2Confident87.5Confident12 Ų1251.9 Ų51.95%0.05326%0.264CS..Hα-helixtrans-61.7-39173177.6-85.5000111.9L961 V962 D965 F966 D1002 L1003 L1004 R1010L961-F1006 HydrophobicContact CD2-CE1 3.74Å; L961-F1006 HydrophobicContact CD2-CZ 3.59Å; V962-F1006 HydrophobicContact CG2-CD1 4.26Å; V962-F1006 HydrophobicContact CG2-CE1 3.99Å; D965-F1006 HydrophobicContact CB-CZ 4.04Å; F966-F1006 HydrophobicContact CB-CD1 4.14Å; F966-F1006 HydrophobicContact CB-CD2 4.46Å; F966-F1006 HydrophobicContact CB-CE1 4.04Å; F966-F1006 HydrophobicContact CB-CE2 4.34Å; F966-F1006 HydrophobicContact CB-CG 4.37Å; F966-F1006 HydrophobicContact CB-CZ 4.13Å; F966-F1006 HydrophobicContact CD2-CB 3.86Å; F966-F1006 HydrophobicContact CD2-CD1 4.25Å; F966-F1006 AromaticContact CD2-CD2 3.88Å; F966-F1006 HydrophobicContact CD2-CD2 3.88Å; F966-F1006 AromaticContact CD2-CG 3.74Å; F966-F1006 HydrophobicContact CD2-CG 3.74Å; F966-F1006 HydrophobicContact CE2-CB 4.22Å; F966-F1006 HydrophobicContact CG-CG 4.45Å; D1002-F1006 WeakPolarHBondContact O-CB 3.45Å; D1002-F1006 PolarHBondContact O-N 2.88Å; L1003-F1006 HydrophobicContact CD1-CD1 4.36Å; L1003-F1006 WeakPolarHBondContact O-CB 3.41Å; L1003-F1006 PolarHBondContact O-N 2.96Å; L1003-F1006 VanDerWaalsContact O-N 3.16Å; L1004-F1006 VanDerWaalsContact C-N 3.34Å; L1004-F1006 PolarHBondContact O-N 2.65Å; F1006-R1010 VanDerWaalsContact CD2-NH1 3.33Å; F1006-R1010 WeakPolarHBondContact O-CB 3.35Å; F1006-R1010 WeakPolarHBondContact O-CD 3.21Å; F1006-R1010 WeakPolarHBondContact O-CG 3.4Å; F1006-R1010 PolarHBondContact O-NH1 3.38Å
1007V89.8Confident87.2Confident0 Ų056.5 Ų56.50%029%0.289CS..Hα-helixtrans-76.5-53.1-178169.60000111.9P831 L945 W954 V962 L1003 L1004 S1005 N1009 R1010 F1011P831-V1007 HydrophobicContact CB-CG1 3.97Å; P831-V1007 HydrophobicContact CB-CG2 3.79Å; L945-V1007 HydrophobicContact CD1-CG1 4.43Å; L945-V1007 HydrophobicContact CD2-CG1 4.25Å; W954-V1007 HydrophobicContact CH2-CG1 3.7Å; W954-V1007 HydrophobicContact CZ3-CG1 4.12Å; V962-V1007 HydrophobicContact CG2-CG2 3.94Å; L1003-V1007 HydrophobicContact CD1-CG2 3.91Å; L1003-V1007 HydrophobicContact CG-CG2 4.42Å; L1003-V1007 WeakPolarHBondContact O-CB 3.43Å; L1003-V1007 VanDerWaalsContact O-CG2 3.28Å; L1003-V1007 WeakPolarHBondContact O-CG2 3.11Å; L1003-V1007 PolarHBondContact O-N 2.83Å; L1004-V1007 PolarHBondContact O-N 3.23Å; S1005-V1007 VanDerWaalsContact C-N 3.29Å; S1005-V1007 PolarHBondContact O-N 3.45Å; V1007-N1009 VanDerWaalsContact C-N 3.28Å; V1007-N1009 PolarHBondContact O-N 3.25Å; V1007-R1010 PolarHBondContact O-N 3.48Å; V1007-F1011 HydrophobicContact CB-CD2 4.36Å; V1007-F1011 HydrophobicContact CG1-CD2 3.99Å; V1007-F1011 WeakPolarHBondContact O-CD2 3.41Å; V1007-F1011 PolarHBondContact O-N 2.87Å
1008I86.9Confident87.3Confident77 Ų7759.6 Ų59.640%0.39531%0.31SS..Hα-helixtrans-59-40.4-177.9-69174.1000111L1004 R1010L1004-I1008 HydrophobicContact CD1-CD1 3.68Å; L1004-I1008 HydrophobicContact CD1-CG1 4.23Å; L1004-I1008 HydrophobicContact CG-CD1 3.9Å; L1004-I1008 WeakPolarHBondContact O-CG1 3.28Å; L1004-I1008 PolarHBondContact O-N 3.12Å; I1008-R1010 PolarHBondContact O-N 2.74Å; I1008-R1010 VanDerWaalsContact O-N 3.16Å
1009N81.4Confident87.7Confident126 Ų12656.1 Ų56.167%0.67429%0.291SS*.THydrogen-bonded Turntrans-75.44.1177.8-69.4-65.9000114.6S1005 V1007S1005-N1009 WeakPolarHBondContact O-CB 3.33Å; S1005-N1009 PolarHBondContact O-N 2.79Å; S1005-N1009 PolarHBondContact O-ND2 3.34Å; V1007-N1009 VanDerWaalsContact C-N 3.28Å; V1007-N1009 PolarHBondContact O-N 3.25Å
1010R75.9Confident88.2Confident94 Ų9453.2 Ų53.236%0.35528%0.278SS..THydrogen-bonded Turntrans-132.3-22.2-177.8-74.2178.5-179.667.310.5114.9F1006 V1007 I1008F1006-R1010 VanDerWaalsContact CD2-NH1 3.33Å; F1006-R1010 WeakPolarHBondContact O-CB 3.35Å; F1006-R1010 WeakPolarHBondContact O-CD 3.21Å; F1006-R1010 WeakPolarHBondContact O-CG 3.4Å; F1006-R1010 PolarHBondContact O-NH1 3.38Å; V1007-R1010 PolarHBondContact O-N 3.48Å; I1008-R1010 PolarHBondContact O-N 2.74Å; I1008-R1010 VanDerWaalsContact O-N 3.16Å
1011F79.3Confident88.6Confident32 Ų3256.4 Ų56.414%0.1428%0.281CS..SBendtrans-134.9144.7-173.4-53-71.3000111.6W954 A958 L961 V962 V1007 S1013W954-F1011 HydrophobicContact CZ3-CB 4.1Å; A958-F1011 HydrophobicContact CB-CD1 3.7Å; A958-F1011 HydrophobicContact CB-CE1 3.5Å; A958-F1011 VanDerWaalsContact CB-CE1 3.5Å; A958-F1011 HydrophobicContact CB-CE2 4.35Å; A958-F1011 HydrophobicContact CB-CG 4.21Å; A958-F1011 HydrophobicContact CB-CZ 3.84Å; L961-F1011 HydrophobicContact CB-CZ 4.09Å; L961-F1011 HydrophobicContact CD1-CE1 4.47Å; L961-F1011 HydrophobicContact CD1-CZ 4.19Å; L961-F1011 HydrophobicContact CD2-CZ 3.99Å; L961-F1011 HydrophobicContact CG-CZ 4.31Å; V962-F1011 HydrophobicContact CG2-CE2 3.94Å; V962-F1011 HydrophobicContact CG2-CZ 4.49Å; V1007-F1011 HydrophobicContact CB-CD2 4.36Å; V1007-F1011 HydrophobicContact CG1-CD2 3.99Å; V1007-F1011 WeakPolarHBondContact O-CD2 3.41Å; V1007-F1011 PolarHBondContact O-N 2.87Å; F1011-S1013 PolarHBondContact O-N 2.71Å; F1011-S1013 PolarHBondContact O-OG 3.12Å
1012R77.6Confident88.8Confident101 Ų10156.6 Ų56.638%0.38128%0.28SS..  trans-62.599.4168.6-80.1-174.8-177.1-138.39.4110.2E948E948-R1012 HydrophobicContact CB-CB 4.1Å; E948-R1012 VanDerWaalsContact CD-CB 3.42Å; E948-R1012 HydrophobicContact CG-CB 4.03Å; E948-R1012 PolarHBondContact N-O 3.49Å; E948-R1012 WeakPolarHBondContact OE1-CA 3.44Å; E948-R1012 WeakPolarHBondContact OE2-CB 3.42Å; E948-R1012 WeakPolarHBondContact OE2-CD 3.5Å; E948-R1012 WeakPolarHBondContact OE2-CG 3.5Å; E948-R1012 IonicContact OE2-NH1 3.56Å
1013S86.3Confident88.8Confident18 Ų1854.5 Ų54.513%0.12627%0.269CS..EExtended strand (participates in β ladder)trans-149.5150.1-171.156.90000111.2Q946 E948 F1011Q946-S1013 CarbonylContact O-C 3.54Å; Q946-S1013 VanDerWaalsContact O-CA 3.3Å; Q946-S1013 WeakPolarHBondContact O-CA 3.48Å; Q946-S1013 WeakPolarHBondContact O-CB 3.33Å; E948-S1013 PolarHBondContact OE1-N 2.88Å; F1011-S1013 PolarHBondContact O-N 2.71Å; F1011-S1013 PolarHBondContact O-OG 3.12Å
1014H87.9Confident88.8Confident67 Ų6757 Ų5731%0.3128%0.283SS..EExtended strand (participates in β ladder)trans-128.6143.8-177.9171.580.5000108.9R757 Q946R757-H1014 WeakPolarHBondContact CD-NE2 3.39Å; Q946-H1014 HydrophobicContact CG-CB 4.47Å; Q946-H1014 WeakPolarHBondContact CG-O 3.48Å; Q946-H1014 PolarHBondContact N-O 3.15Å; Q946-H1014 PolarHBondContact O-N 2.89Å
1015Q90.6Very high88.8Confident70 Ų7058.7 Ų58.733%0.32730%0.299SS..EExtended strand (participates in β ladder)trans-106.9114.7174.4-172165.518.300109.1G944 E1017G944-Q1015 WeakPolarHBondContact O-CA 3.38Å; Q1015-E1017 PolarHBondContact O-N 3.15Å
1016D90.6Very high88.9Confident15 Ų1556.6 Ų56.68%0.0828%0.283CS..  trans-82.596.3178.6-160.7-43.5000109.4G944 Q946 C1018 C1019 K1022G944-D1016 PolarHBondContact O-N 2.93Å; Q946-D1016 PolarHBondContact NE2-OD2 2.87Å; D1016-C1018 PolarHBondContact O-N 3.36Å; D1016-C1018 PolarHBondContact OD1-N 3.36Å; D1016-C1019 HydrophobicContact CB-CB 4.19Å; D1016-C1019 WeakPolarHBondContact O-CB 3.47Å; D1016-C1019 PolarHBondContact O-N 2.86Å; D1016-C1019 PolarHBondContact OD1-N 3.27Å; D1016-K1022 IonicContact OD1-NZ 2.74Å; D1016-K1022 PolarHBondContact OD1-NZ 2.82Å; D1016-K1022 IonicContact OD2-NZ 3.6Å; D1016-K1022 PolarHBondContact OD2-NZ 3.37Å
1017E90.2Very high89Confident183 Ų18357.7 Ų57.786%0.85529%0.291SS*.THydrogen-bonded Turntrans-60.1-29.5-179.5-60.9-174.8160.900112.2Q1015 C1019Q1015-E1017 PolarHBondContact O-N 3.15Å; E1017-C1019 PolarHBondContact O-N 2.96Å
1018C90.8Very high89.1Confident65 Ų6566 Ų6644%0.43933%0.328SS..THydrogen-bonded Turntrans-77.2-1.9176.8-64.90000113.9D1016 Q1020 L1021 K1022D1016-C1018 PolarHBondContact O-N 3.36Å; D1016-C1018 PolarHBondContact OD1-N 3.36Å; C1018-Q1020 VanDerWaalsContact C-N 3.32Å; C1018-Q1020 PolarHBondContact O-N 3.43Å; C1018-L1021 WeakPolarHBondContact O-CB 3.22Å; C1018-L1021 PolarHBondContact O-N 3.21Å; C1018-K1022 WeakPolarHBondContact O-CG 3.49Å; C1018-K1022 PolarHBondContact O-N 3.35Å; C1018-K1022 VanDerWaalsContact O-N 3.07Å
1019C94.2Very high89.2Confident1 Ų165.4 Ų65.41%0.00733%0.33CS..Hα-helixtrans-55.8-39.7-175.8-175.20000113.6L943 G944 D1016 E1017 K1022 L1023L943-C1019 HydrophobicContact CD1-CB 4.11Å; L943-C1019 HydrophobicContact CG-CB 4.36Å; G944-C1019 VanDerWaalsContact CA-CB 3.49Å; G944-C1019 VanDerWaalsContact CA-SG 3.58Å; G944-C1019 PolarHBondContact N-SG 2.96Å; G944-C1019 VanDerWaalsContact N-SG 3.35Å; D1016-C1019 HydrophobicContact CB-CB 4.19Å; D1016-C1019 WeakPolarHBondContact O-CB 3.47Å; D1016-C1019 PolarHBondContact O-N 2.86Å; D1016-C1019 PolarHBondContact OD1-N 3.27Å; E1017-C1019 PolarHBondContact O-N 2.96Å; C1019-K1022 PolarHBondContact O-N 2.84Å; C1019-L1023 WeakPolarHBondContact O-CG 3.47Å; C1019-L1023 PolarHBondContact O-N 3.34Å
1020Q93.9Very high89.6Confident39 Ų3960.4 Ų60.418%0.18231%0.305CS..Hα-helixtrans-65.8-43176.2-170.963.261.600111.3L943 S984 C1018 K1022 L1023 D1024L943-Q1020 HydrophobicContact CD1-CB 4.45Å; L943-Q1020 HydrophobicContact CD2-CB 4.18Å; S984-Q1020 PolarHBondContact OG-NE2 3.32Å; S984-Q1020 PolarHBondContact OG-OE1 3.39Å; C1018-Q1020 VanDerWaalsContact C-N 3.32Å; C1018-Q1020 PolarHBondContact O-N 3.43Å; Q1020-K1022 VanDerWaalsContact C-N 3.27Å; Q1020-K1022 PolarHBondContact O-N 2.71Å; Q1020-L1023 PolarHBondContact O-N 3.41Å; Q1020-L1023 VanDerWaalsContact O-N 3.16Å; Q1020-D1024 PolarHBondContact NE2-OD1 2.84Å; Q1020-D1024 WeakPolarHBondContact O-CB 3.3Å; Q1020-D1024 PolarHBondContact O-N 3.13Å
1021L94.3Very high90.1Very high119 Ų11960.4 Ų60.462%0.62331%0.307SS*.Hα-helixtrans-62-36.1179.2-60.7174.2000112C1018 A1025C1018-L1021 WeakPolarHBondContact O-CB 3.22Å; C1018-L1021 PolarHBondContact O-N 3.21Å; L1021-A1025 VanDerWaalsContact O-CB 3.31Å; L1021-A1025 WeakPolarHBondContact O-CB 3.5Å; L1021-A1025 PolarHBondContact O-N 2.98Å
1022K94.3Very high90.4Very high53 Ų5363.6 Ų63.623%0.2333%0.326CS..Hα-helixtrans-67.8-44174.3-63.6172.8-178.8-177.60111.9F790 D792 D1016 C1018 C1019 Q1020 A1025 M1026F790-K1022 VanDerWaalsContact O-CB 3.28Å; F790-K1022 WeakPolarHBondContact O-CB 3.42Å; F790-K1022 WeakPolarHBondContact O-CD 3.49Å; D792-K1022 HydrophobicContact CB-CD 4.41Å; D792-K1022 WeakPolarHBondContact OD2-CD 3.12Å; D792-K1022 WeakPolarHBondContact OD2-CE 3.1Å; D792-K1022 IonicContact OD2-NZ 3.62Å; D792-K1022 PolarHBondContact OD2-NZ 2.72Å; D1016-K1022 IonicContact OD1-NZ 2.74Å; D1016-K1022 PolarHBondContact OD1-NZ 2.82Å; D1016-K1022 IonicContact OD2-NZ 3.6Å; D1016-K1022 PolarHBondContact OD2-NZ 3.37Å; C1018-K1022 WeakPolarHBondContact O-CG 3.49Å; C1018-K1022 PolarHBondContact O-N 3.35Å; C1018-K1022 VanDerWaalsContact O-N 3.07Å; C1019-K1022 PolarHBondContact O-N 2.84Å; Q1020-K1022 VanDerWaalsContact C-N 3.27Å; Q1020-K1022 PolarHBondContact O-N 2.71Å; K1022-A1025 PolarHBondContact O-N 2.94Å; K1022-M1026 WeakPolarHBondContact O-CB 3.09Å; K1022-M1026 PolarHBondContact O-N 2.69Å
1023L94.4Very high90.3Very high1 Ų159.8 Ų59.81%0.00532%0.315CS..Hα-helixtrans-64.6-40.5175.5-71167.2000111.8L943 I986 F991 C1019 Q1020 A1025 M1026 V1027L943-L1023 HydrophobicContact CD1-CD1 3.84Å; I986-L1023 HydrophobicContact CD1-CB 3.87Å; F991-L1023 HydrophobicContact CD1-CD1 4.04Å; F991-L1023 HydrophobicContact CD2-CD1 4.46Å; F991-L1023 HydrophobicContact CE1-CD1 3.69Å; F991-L1023 HydrophobicContact CE2-CD1 4.16Å; F991-L1023 HydrophobicContact CG-CD1 4.41Å; F991-L1023 HydrophobicContact CZ-CD1 3.75Å; F991-L1023 HydrophobicContact CZ-CD2 4.11Å; C1019-L1023 WeakPolarHBondContact O-CG 3.47Å; C1019-L1023 PolarHBondContact O-N 3.34Å; Q1020-L1023 PolarHBondContact O-N 3.41Å; Q1020-L1023 VanDerWaalsContact O-N 3.16Å; L1023-A1025 VanDerWaalsContact C-N 3.34Å; L1023-M1026 HydrophobicContact CD2-CE 3.9Å; L1023-M1026 WeakPolarHBondContact O-CB 3.24Å; L1023-M1026 PolarHBondContact O-N 2.76Å; L1023-V1027 WeakPolarHBondContact O-CG2 3.43Å; L1023-V1027 PolarHBondContact O-N 2.82Å
1024D93.8Very high89.4Confident54 Ų5462.8 Ų62.829%0.28933%0.333SS..Hα-helixtrans-64.9-38.1175-64-14.5000111.6Q1020 K1028Q1020-D1024 PolarHBondContact NE2-OD1 2.84Å; Q1020-D1024 WeakPolarHBondContact O-CB 3.3Å; Q1020-D1024 PolarHBondContact O-N 3.13Å; D1024-K1028 WeakPolarHBondContact O-CB 3.06Å; D1024-K1028 WeakPolarHBondContact O-CD 3.4Å; D1024-K1028 WeakPolarHBondContact O-CG 3.06Å; D1024-K1028 PolarHBondContact O-N 3.06Å
1025A92.6Very high88.3Confident54 Ų5467.4 Ų67.445%0.44635%0.349SS..Hα-helixtrans-66.6-45.2174.300000111.7L1021 K1022 L1023 V1027 K1028 S1029L1021-A1025 VanDerWaalsContact O-CB 3.31Å; L1021-A1025 WeakPolarHBondContact O-CB 3.5Å; L1021-A1025 PolarHBondContact O-N 2.98Å; K1022-A1025 PolarHBondContact O-N 2.94Å; L1023-A1025 VanDerWaalsContact C-N 3.34Å; A1025-V1027 VanDerWaalsContact C-N 3.33Å; A1025-V1027 PolarHBondContact O-N 2.85Å; A1025-K1028 PolarHBondContact O-N 2.98Å; A1025-S1029 WeakPolarHBondContact O-CB 3.48Å; A1025-S1029 PolarHBondContact O-N 3.02Å; A1025-S1029 PolarHBondContact O-OG 3.09Å
1026M92.2Very high86.2Confident7 Ų773.7 Ų73.73%0.03438%0.381CS..Hα-helixtrans-54.3-48.7173.1176.3-164.266.400110.8M787 M804 I986 K1022 L1023 S1029 S1030M787-M1026 HydrophobicContact CG-CG 4.21Å; M787-M1026 HydrophobicContact CG-SD 3.62Å; M787-M1026 HydrophobicContact SD-CB 4.19Å; M787-M1026 HydrophobicContact SD-CG 3.81Å; M787-M1026 HydrophobicContact SD-SD 3.72Å; M804-M1026 HydrophobicContact CB-CG 4.2Å; M804-M1026 HydrophobicContact CE-CE 3.62Å; M804-M1026 HydrophobicContact CE-SD 4.24Å; M804-M1026 HydrophobicContact SD-CE 3.92Å; I986-M1026 HydrophobicContact CG2-CE 4.28Å; K1022-M1026 WeakPolarHBondContact O-CB 3.09Å; K1022-M1026 PolarHBondContact O-N 2.69Å; L1023-M1026 HydrophobicContact CD2-CE 3.9Å; L1023-M1026 WeakPolarHBondContact O-CB 3.24Å; L1023-M1026 PolarHBondContact O-N 2.76Å; M1026-S1029 WeakPolarHBondContact CA-OG 3.27Å; M1026-S1029 PolarHBondContact O-N 3.26Å; M1026-S1029 PolarHBondContact O-OG 3.05Å; M1026-S1030 PolarHBondContact O-N 3.35Å
1027V92.4Very high85.9Confident36 Ų3676.7 Ų76.722%0.21840%0.396CS..Hα-helixtrans-60.4-45.3176.9164.30000112M804 V809 I986 L1023 A1025 S1029 S1030M804-V1027 HydrophobicContact SD-CG2 4.24Å; V809-V1027 HydrophobicContact CG1-CG1 3.63Å; V809-V1027 HydrophobicContact CG1-CG2 4.39Å; V809-V1027 HydrophobicContact CG2-CG1 4.32Å; I986-V1027 HydrophobicContact CD1-CG2 4.15Å; I986-V1027 HydrophobicContact CG2-CG2 3.61Å; L1023-V1027 WeakPolarHBondContact O-CG2 3.43Å; L1023-V1027 PolarHBondContact O-N 2.82Å; A1025-V1027 VanDerWaalsContact C-N 3.33Å; A1025-V1027 PolarHBondContact O-N 2.85Å; V1027-S1029 VanDerWaalsContact C-N 3.27Å; V1027-S1029 PolarHBondContact O-N 3.26Å; V1027-S1030 VanDerWaalsContact O-CB 3.27Å; V1027-S1030 WeakPolarHBondContact O-CB 3.19Å; V1027-S1030 PolarHBondContact O-N 2.9Å; V1027-S1030 PolarHBondContact O-OG 3.04Å
1028K91.7Very high85.7Confident175 Ų17571.1 Ų71.176%0.76137%0.372SS*.Hα-helixtrans-64.4-29.8176.6-71.8164.1-173.4170.90113D1024 A1025 S1030D1024-K1028 WeakPolarHBondContact O-CB 3.06Å; D1024-K1028 WeakPolarHBondContact O-CD 3.4Å; D1024-K1028 WeakPolarHBondContact O-CG 3.06Å; D1024-K1028 PolarHBondContact O-N 3.06Å; A1025-K1028 PolarHBondContact O-N 2.98Å; K1028-S1030 VanDerWaalsContact C-N 3.28Å; K1028-S1030 PolarHBondContact O-N 3.12Å
1029S88.9Confident85.4Confident63 Ų6371.4 Ų71.444%0.44137%0.368SS..THydrogen-bonded Turntrans-83.15.3176.270.50000114.9A1025 M1026 V1027A1025-S1029 WeakPolarHBondContact O-CB 3.48Å; A1025-S1029 PolarHBondContact O-N 3.02Å; A1025-S1029 PolarHBondContact O-OG 3.09Å; M1026-S1029 WeakPolarHBondContact CA-OG 3.27Å; M1026-S1029 PolarHBondContact O-N 3.26Å; M1026-S1029 PolarHBondContact O-OG 3.05Å; V1027-S1029 VanDerWaalsContact C-N 3.27Å; V1027-S1029 PolarHBondContact O-N 3.26Å
1030S89.8Confident84.9Confident21 Ų2175.5 Ų75.515%0.14739%0.39CS..  trans-63.1136.3-175.356.10000112.9M804 M1026 V1027 K1028M804-S1030 VanDerWaalsContact O-CA 3.24Å; M804-S1030 WeakPolarHBondContact O-CA 3.48Å; M804-S1030 WeakPolarHBondContact O-CB 3.43Å; M1026-S1030 PolarHBondContact O-N 3.35Å; V1027-S1030 VanDerWaalsContact O-CB 3.27Å; V1027-S1030 WeakPolarHBondContact O-CB 3.19Å; V1027-S1030 PolarHBondContact O-N 2.9Å; V1027-S1030 PolarHBondContact O-OG 3.04Å; K1028-S1030 VanDerWaalsContact C-N 3.28Å; K1028-S1030 PolarHBondContact O-N 3.12Å
1031K87Confident84.4Confident95 Ų9577.8 Ų77.841%0.41340%0.403SS..BIsolated β-bridgetrans-111.5161-176.3-56.2-168.4-171.4-172.30110.6E774 V803 M804 W805 R806E774-K1031 IonicContact OE1-NZ 2.77Å; E774-K1031 PolarHBondContact OE1-NZ 3.45Å; V803-K1031 HydrophobicContact CG1-CB 4.01Å; V803-K1031 HydrophobicContact CG1-CD 3.96Å; V803-K1031 HydrophobicContact CG1-CG 3.73Å; M804-K1031 PolarHBondContact O-N 3.35Å; M804-K1031 VanDerWaalsContact O-N 3.13Å; W805-K1031 CarbonylContact C-O 3.57Å; W805-K1031 WeakPolarHBondContact CA-O 3.49Å; R806-K1031 PolarHBondContact N-O 3.49Å
1032D84.1Confident83.7Confident98 Ų9875.1 Ų75.152%0.52439%0.388SS..  trans-66.6150.7172.6-61.1-58.4000110.8R806R806-D1032 WeakPolarHBondContact CD-OD1 3.29Å; R806-D1032 IonicContact CZ-OD1 3.21Å; R806-D1032 IonicContact CZ-OD2 3.66Å; R806-D1032 IonicContact NE-OD1 2.66Å; R806-D1032 IonicContact NH1-OD1 2.93Å; R806-D1032 PolarHBondContact NH1-OD1 2.95Å; R806-D1032 IonicContact NH1-OD2 2.97Å; R806-D1032 PolarHBondContact NH1-OD2 3.36Å; R806-D1032 IonicContact NH2-OD2 3.3Å; R806-D1032 PolarHBondContact NH2-OD2 3.14Å
1033C76.7Confident82.9Confident22 Ų2276.6 Ų76.615%0.14940%0.399CS..  trans-74.9123.5175.5-175.90000109.4W805 Y1035 M1036W805-C1033 HydrophobicContact CB-CB 4.44Å; W805-C1033 HydrophobicContact CD2-CB 4Å; W805-C1033 HydrophobicContact CE3-CB 4.42Å; W805-C1033 HydrophobicContact CG-CB 4.02Å; C1033-Y1035 PolarHBondContact O-N 2.91Å; C1033-M1036 HydrophobicContact CB-CG 4.15Å; C1033-M1036 HydrophobicContact CB-SD 4.35Å
1034P68.1Low82Confident80 Ų8082.5 Ų82.552%0.51943%0.43SS..THydrogen-bonded Turntrans-76.813.5-177.433.4-37.1000113.9
1035Y64Low81.1Confident164 Ų16484.8 Ų84.864%0.64344%0.441SS*.THydrogen-bonded Turntrans-134.423.5-176.5-54.7-62.2000112.4C1033C1033-Y1035 PolarHBondContact O-N 2.91Å
1036M45.5Very low80Confident203 Ų20387.6 Ų87.6100%144%0.441SS*.  trans-102.30166.9-79.3-173.9169.800110.4D807 C1033D807-M1036 HydrophobicContact CB-CE 4.14Å; C1033-M1036 HydrophobicContact CB-CG 4.15Å; C1033-M1036 HydrophobicContact CB-SD 4.35Å

Retrieved 1,036 of 1,036 residues in 630.7 ms (Link to these results)

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