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Triosephosphate isomerase

Antigen to the host M.1 monoclonal antibody.

AlphaFold DB , UniProt , Accession P48501, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene TPI, Length 253 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
1M35.7Very low81.8Confident228 Ų22846.9 Ų46.9100%1.12329%0.285SS*.  0123.10-66.7-168.6-152.100107.6G3M1-G3 PolarHBondContact O-N 2.94Å
2S48.4Very low83.2Confident28 Ų2843.4 Ų43.420%0.19626%0.263CS..  trans-70.129.5177.552.80000113.8S4 R5S2-S4 PolarHBondContact O-N 3.29Å; S2-R5 VanDerWaalsContact CB-NH2 3.28Å; S2-R5 PolarHBondContact O-N 3.39Å
3G55.4Low84.4Confident76 Ų7640.2 Ų40.278%0.78424%0.243SC*.THydrogen-bonded Turntrans-67.111-154.800000117.9M1M1-G3 PolarHBondContact O-N 2.94Å
4S79.7Confident85.3Confident90 Ų9040 Ų4063%0.62924%0.238SC*.THydrogen-bonded Turntrans-105.7-19.4174.563.20000114.1S2S2-S4 PolarHBondContact O-N 3.29Å
5R94.7Very high86.2Confident19 Ų1949.3 Ų49.37%0.07228%0.281CS..SBendtrans-93.5112.6-175.1-67.1-176.7-62.4-824.5111.1S2 F7 R193 E206 I208 H228 D231S2-R5 VanDerWaalsContact CB-NH2 3.28Å; S2-R5 PolarHBondContact O-N 3.39Å; R5-F7 PolarHBondContact O-N 3.31Å; R5-R193 VanDerWaalsContact CZ-CZ 3.49Å; R5-E206 VanDerWaalsContact CD-O 3.29Å; R5-E206 WeakPolarHBondContact CD-O 3.21Å; R5-E206 VanDerWaalsContact CG-O 3.26Å; R5-E206 WeakPolarHBondContact CG-O 3.48Å; R5-E206 PolarHBondContact NH1-O 3.49Å; R5-I208 WeakPolarHBondContact CD-O 3.4Å; R5-H228 PolarHBondContact NH2-O 3.46Å; R5-D231 IonicContact CZ-OD1 2.64Å; R5-D231 IonicContact NE-OD1 3.78Å; R5-D231 PolarHBondContact NE-OD1 2.89Å; R5-D231 IonicContact NE-OD2 3.01Å; R5-D231 PolarHBondContact NE-OD2 2.74Å; R5-D231 IonicContact NH2-OD1 2.78Å
6K95.1Very high87Confident74 Ų7451.5 Ų51.532%0.32229%0.291SS..  trans-57.1130.8172.8-169169.5173.7163.60109.7D36 N37 T38 E39 R209K6-D36 WeakPolarHBondContact CE-O 3.36Å; K6-D36 PolarHBondContact NZ-O 2.82Å; K6-N37 WeakPolarHBondContact CA-OD1 3.14Å; K6-N37 VanDerWaalsContact CG-C 3.48Å; K6-N37 VanDerWaalsContact CG-O 3.29Å; K6-N37 WeakPolarHBondContact CG-O 3.29Å; K6-T38 WeakPolarHBondContact CE-O 3.3Å; K6-E39 HydrophobicContact CD-CB 4.2Å; K6-E39 HydrophobicContact CG-CB 4.45Å; K6-R209 WeakPolarHBondContact O-CD 3.13Å
7F97.3Very high87.5Confident1 Ų150.6 Ų50.60%0.00430%0.296CS..EExtended strand (participates in β ladder)trans-64.6136.1178.7-168.2-124.4000109.6R5 V9 N37 T38 E39 A225 D231 F233 A250 R251R5-F7 PolarHBondContact O-N 3.31Å; F7-V9 HydrophobicContact CD1-CG2 3.77Å; F7-V9 HydrophobicContact CE1-CG2 3.42Å; F7-V9 VanDerWaalsContact CE1-CG2 3.42Å; F7-V9 HydrophobicContact CZ-CG2 4.12Å; F7-N37 WeakPolarHBondContact CB-O 3.31Å; F7-N37 PolarHBondContact N-O 3.36Å; F7-T38 HydrophobicContact CD1-CG2 3.98Å; F7-T38 CarbonylContact O-C 3.56Å; F7-T38 WeakPolarHBondContact O-CA 3.5Å; F7-E39 PolarHBondContact O-N 2.74Å; F7-A225 HydrophobicContact CE2-CB 4.06Å; F7-A225 HydrophobicContact CZ-CB 3.92Å; F7-D231 CarbonylContact C-O 3.51Å; F7-D231 WeakPolarHBondContact CA-O 3.33Å; F7-D231 WeakPolarHBondContact CD2-O 3.39Å; F7-F233 HydrophobicContact CE1-CE2 4.26Å; F7-F233 HydrophobicContact CE2-CE2 4.39Å; F7-F233 AromaticContact CZ-CD2 3.97Å; F7-F233 HydrophobicContact CZ-CD2 3.97Å; F7-F233 AromaticContact CZ-CE2 3.49Å; F7-F233 HydrophobicContact CZ-CE2 3.49Å; F7-F233 VanDerWaalsContact CZ-CE2 3.49Å; F7-F233 HydrophobicContact CZ-CZ 4Å; F7-A250 HydrophobicContact CE1-CB 4.2Å; F7-A250 HydrophobicContact CZ-CB 4.17Å; F7-R251 HydrophobicContact CD1-CB 4.25Å; F7-R251 HydrophobicContact CD1-CG 4.18Å; F7-R251 HydrophobicContact CD2-CG 3.89Å; F7-R251 HydrophobicContact CE1-CB 4.45Å; F7-R251 HydrophobicContact CE1-CG 4.15Å; F7-R251 HydrophobicContact CE2-CG 3.81Å; F7-R251 HydrophobicContact CG-CB 4.38Å; F7-R251 HydrophobicContact CG-CG 4.05Å; F7-R251 HydrophobicContact CZ-CG 3.96Å
8F98.1Very high88Confident0 Ų050.1 Ų50.10%030%0.296CS..EExtended strand (participates in β ladder)trans-125.6118.7-173.5-173.6-79.1000111.6E39 L41 W91 I125 V165 I211 D231 G232 F233F8-E39 WeakPolarHBondContact CA-O 3.4Å; F8-E39 HydrophobicContact CD2-CB 3.97Å; F8-E39 HydrophobicContact CD2-CG 4.05Å; F8-E39 HydrophobicContact CE2-CG 4.16Å; F8-E39 WeakPolarHBondContact CE2-OE1 3.24Å; F8-L41 HydrophobicContact CZ-CB 4.38Å; F8-L41 HydrophobicContact CZ-CD1 4.46Å; F8-W91 AromaticContact CE2-CH2 3.75Å; F8-W91 HydrophobicContact CE2-CH2 3.75Å; F8-W91 AromaticContact CE2-CZ2 3.84Å; F8-W91 HydrophobicContact CE2-CZ2 3.84Å; F8-W91 HydrophobicContact CE2-CZ3 4.2Å; F8-W91 HydrophobicContact CZ-CE3 4.38Å; F8-W91 HydrophobicContact CZ-CH2 4.17Å; F8-W91 HydrophobicContact CZ-CZ2 4.42Å; F8-W91 HydrophobicContact CZ-CZ3 4.14Å; F8-I125 HydrophobicContact CE1-CD1 3.77Å; F8-I125 HydrophobicContact CE1-CG1 4.19Å; F8-I125 HydrophobicContact CZ-CD1 3.86Å; F8-I125 HydrophobicContact CZ-CG1 4.13Å; F8-V165 HydrophobicContact CD1-CG1 4.23Å; F8-V165 HydrophobicContact CD2-CG2 4.14Å; F8-V165 HydrophobicContact CE1-CG1 4.4Å; F8-V165 HydrophobicContact CE2-CG2 4.08Å; F8-V165 HydrophobicContact CG-CG2 4.43Å; F8-V165 HydrophobicContact CZ-CG2 4.32Å; F8-I211 HydrophobicContact CB-CG2 3.98Å; F8-I211 HydrophobicContact CD1-CD1 3.85Å; F8-I211 HydrophobicContact CD1-CG2 4.03Å; F8-I211 HydrophobicContact CE1-CD1 4.06Å; F8-I211 HydrophobicContact CG-CG2 4.39Å; F8-D231 PolarHBondContact N-O 3.08Å; F8-G232 CarbonylContact O-C 3.51Å; F8-G232 WeakPolarHBondContact O-CA 3.25Å; F8-F233 PolarHBondContact O-N 3.01Å
9V98.5Very high88.5Confident0 Ų055.9 Ų55.90%031%0.312CS..EExtended strand (participates in β ladder)trans-123.6109.9-179.7-174.70000110F7 E39 V40 L41 F233 V235 F244 I247F7-V9 HydrophobicContact CD1-CG2 3.77Å; F7-V9 HydrophobicContact CE1-CG2 3.42Å; F7-V9 VanDerWaalsContact CE1-CG2 3.42Å; F7-V9 HydrophobicContact CZ-CG2 4.12Å; V9-E39 PolarHBondContact N-O 2.85Å; V9-V40 WeakPolarHBondContact O-CA 3.27Å; V9-L41 PolarHBondContact O-N 3.5Å; V9-F233 WeakPolarHBondContact CA-O 3.39Å; V9-F233 HydrophobicContact CG1-CB 4.49Å; V9-F233 HydrophobicContact CG2-CD2 4.18Å; V9-V235 HydrophobicContact CG1-CG2 4.3Å; V9-F244 HydrophobicContact CG1-CE2 3.77Å; V9-F244 HydrophobicContact CG1-CZ 4.02Å; V9-I247 HydrophobicContact CG1-CG2 4.17Å
10G98.5Very high88.9Confident0 Ų058.8 Ų58.80%033%0.327CS..EExtended strand (participates in β ladder)trans-102.7134.2174.300000111.6L41 F233 L234 V235G10-L41 CarbonylContact C-O 3.48Å; G10-L41 WeakPolarHBondContact CA-O 3.43Å; G10-F233 PolarHBondContact N-O 2.83Å; G10-L234 CarbonylContact O-C 3.58Å; G10-L234 WeakPolarHBondContact O-CA 3.45Å; G10-V235 PolarHBondContact O-N 3.23Å
11G98.5Very high89.3Confident0 Ų059.8 Ų59.80%033%0.331CS..EExtended strand (participates in β ladder)trans-101.9110170.300000111.1L41 I42 A43 V235G11-L41 PolarHBondContact N-O 3.49Å; G11-I42 CarbonylContact O-C 3.54Å; G11-I42 WeakPolarHBondContact O-CA 3.33Å; G11-A43 PolarHBondContact O-N 2.96Å; G11-V235 CarbonylContact C-O 3.58Å
12N98.7Very high92.2Very high5 Ų549 Ų493%0.02728%0.278CS..EExtended strand (participates in β ladder)trans-92.7104.7174-176.78.3000110.2K14 I93 H96 L234 V235N12-K14 PolarHBondContact O-N 3.47Å; N12-K14 PolarHBondContact OD1-N 3.09Å; N12-I93 HydrophobicContact CB-CD1 3.97Å; N12-H96 PolarHBondContact ND2-NE2 3.22Å; N12-L234 HydrophobicContact CB-CD1 4.14Å; N12-L234 HydrophobicContact CB-CG 4.49Å; N12-V235 PolarHBondContact N-O 3.11Å
13W98.1Very high94.5Very high1 Ų151.6 Ų51.60%0.00429%0.29CS..  trans-73.3-14.4-178.4-66.83.2000112.7N16 N22 L25 L26 I42 A43 P44 I52 S239 L240W13-N16 WeakPolarHBondContact O-CB 3.32Å; W13-N16 PolarHBondContact O-N 3.32Å; W13-N16 PolarHBondContact O-ND2 2.9Å; W13-N22 HydrophobicContact CH2-CB 4.43Å; W13-N22 HydrophobicContact CZ3-CB 4.14Å; W13-N22 WeakPolarHBondContact CZ3-OD1 3.43Å; W13-L25 HydrophobicContact CH2-CB 4.28Å; W13-L25 HydrophobicContact CH2-CD1 4.07Å; W13-L25 HydrophobicContact CZ2-CB 4.13Å; W13-L25 HydrophobicContact CZ2-CD1 3.77Å; W13-L26 HydrophobicContact CH2-CD2 4.5Å; W13-I42 HydrophobicContact CH2-CD1 3.93Å; W13-I42 HydrophobicContact CZ2-CB 4.29Å; W13-I42 HydrophobicContact CZ2-CD1 3.67Å; W13-I42 HydrophobicContact CZ2-CG2 4.34Å; W13-A43 WeakPolarHBondContact CB-O 3.48Å; W13-A43 PolarHBondContact N-O 3.06Å; W13-A43 VanDerWaalsContact N-O 3.08Å; W13-P44 HydrophobicContact CD2-CB 4.27Å; W13-P44 HydrophobicContact CE3-CB 3.57Å; W13-P44 HydrophobicContact CZ3-CB 3.91Å; W13-I52 HydrophobicContact CE3-CD1 4.28Å; W13-I52 HydrophobicContact CH2-CD1 3.99Å; W13-I52 HydrophobicContact CZ3-CD1 3.45Å; W13-I52 VanDerWaalsContact CZ3-CD1 3.45Å; W13-S239 PolarHBondContact NE1-O 3.37Å; W13-L240 HydrophobicContact CB-CD2 3.72Å; W13-L240 HydrophobicContact CD2-CD2 3.98Å; W13-L240 HydrophobicContact CG-CD2 3.55Å
14K98Very high96.4Very high38 Ų3854.3 Ų54.317%0.16528%0.28CS..  trans51.7-144.9-175.2-55-177.7175.6-168.70110.1N12 N16 P45 Q65 E98N12-K14 PolarHBondContact O-N 3.47Å; N12-K14 PolarHBondContact OD1-N 3.09Å; K14-N16 PolarHBondContact O-N 3.33Å; K14-P45 WeakPolarHBondContact O-CD 3.42Å; K14-P45 VanDerWaalsContact O-CG 3.3Å; K14-P45 WeakPolarHBondContact O-CG 3.28Å; K14-Q65 PolarHBondContact O-NE2 3.11Å; K14-Q65 PolarHBondContact O-OE1 2.86Å; K14-E98 WeakPolarHBondContact CD-OE1 3.4Å; K14-E98 VanDerWaalsContact CE-OE1 3.29Å; K14-E98 WeakPolarHBondContact CE-OE1 3.23Å; K14-E98 IonicContact NZ-OE1 3.69Å; K14-E98 PolarHBondContact NZ-OE1 3.25Å
15M98.1Very high97.2Very high180 Ų18051 Ų5189%0.88726%0.255SS*.SBendtrans-83.653178.2-160.4177.674.600112.4
16N98.5Very high97.2Very high84 Ų8450.5 Ų50.545%0.44925%0.254SS..  trans-129.7157.3176.1-58.6-88000111.2W13 K14 P45 L240W13-N16 WeakPolarHBondContact O-CB 3.32Å; W13-N16 PolarHBondContact O-N 3.32Å; W13-N16 PolarHBondContact O-ND2 2.9Å; K14-N16 PolarHBondContact O-N 3.33Å; N16-P45 VanDerWaalsContact O-CD 3.31Å; N16-P45 WeakPolarHBondContact O-CD 3.4Å; N16-P45 WeakPolarHBondContact O-CG 3.42Å; N16-L240 HydrophobicContact CB-CD1 3.66Å; N16-L240 HydrophobicContact CB-CD2 4.16Å
17G96Very high97.3Very high36 Ų3653.2 Ų53.237%0.37127%0.266SS..  trans129.9148.817400000112.6N22G17-N22 WeakPolarHBondContact CA-OD1 3.39Å
18S97.3Very high97.2Very high41 Ų4155.5 Ų55.529%0.28728%0.278SS..  trans-138.5162.5168.2710000106.9D20 D21 N22S18-D20 VanDerWaalsContact C-N 3.27Å; S18-D20 PolarHBondContact O-N 2.76Å; S18-D21 PolarHBondContact O-N 2.72Å; S18-D21 WeakPolarHBondContact OG-CB 3.12Å; S18-D21 PolarHBondContact OG-N 3.35Å; S18-D21 VanDerWaalsContact OG-N 3.11Å; S18-D21 PolarHBondContact OG-OD2 3.48Å; S18-N22 VanDerWaalsContact O-CB 3.22Å; S18-N22 WeakPolarHBondContact O-CB 2.88Å; S18-N22 PolarHBondContact O-N 3.31Å; S18-N22 PolarHBondContact O-ND2 3.41Å; S18-N22 PolarHBondContact O-OD1 3.46Å
19R96.8Very high97.1Very high162 Ų16255.8 Ų55.861%0.61128%0.279SS*.Hα-helixtrans-54.6-47177.2-71.7-167.3173.8143.63.8111.6D21 N22 D23 E51R19-D21 PolarHBondContact O-N 3.07Å; R19-N22 PolarHBondContact O-N 3.24Å; R19-D23 WeakPolarHBondContact O-CB 3.49Å; R19-D23 VanDerWaalsContact O-CG 3.3Å; R19-D23 PolarHBondContact O-N 3.24Å; R19-E51 WeakPolarHBondContact CG-OE1 3.5Å; R19-E51 IonicContact CZ-OE2 3.64Å; R19-E51 IonicContact NE-OE1 3.66Å; R19-E51 IonicContact NE-OE2 3.7Å; R19-E51 PolarHBondContact NE-OE2 2.96Å; R19-E51 IonicContact NH2-OE2 3.23Å
20D97Very high96.8Very high113 Ų11357.6 Ų57.660%0.60429%0.292SS*.Hα-helixtrans-62.1-41.8179.7-65.4-0.2000113S18 K24S18-D20 VanDerWaalsContact C-N 3.27Å; S18-D20 PolarHBondContact O-N 2.76Å; D20-K24 WeakPolarHBondContact O-CE 3.41Å; D20-K24 VanDerWaalsContact O-CG 3.29Å; D20-K24 WeakPolarHBondContact O-CG 3.24Å; D20-K24 PolarHBondContact O-N 3.11Å
21D96.3Very high96.6Very high79 Ų7963.1 Ų63.142%0.42232%0.318SS..Hα-helixtrans-74.1-36.9179.6-62.6-36.7000111.7S18 R19 K24 L25S18-D21 PolarHBondContact O-N 2.72Å; S18-D21 WeakPolarHBondContact OG-CB 3.12Å; S18-D21 PolarHBondContact OG-N 3.35Å; S18-D21 VanDerWaalsContact OG-N 3.11Å; S18-D21 PolarHBondContact OG-OD2 3.48Å; R19-D21 PolarHBondContact O-N 3.07Å; D21-K24 PolarHBondContact O-N 3.36Å; D21-K24 IonicContact OD1-NZ 3.78Å; D21-K24 PolarHBondContact OD1-NZ 3.45Å; D21-L25 WeakPolarHBondContact O-CG 3.4Å; D21-L25 PolarHBondContact O-N 2.8Å; D21-L25 VanDerWaalsContact O-N 3.16Å
22N97Very high96.3Very high1 Ų164 Ų641%0.00533%0.326CS..Hα-helixtrans-62-49174.5-62.8-12.6000109.4W13 G17 S18 R19 K24 L25 L26 F48W13-N22 HydrophobicContact CH2-CB 4.43Å; W13-N22 HydrophobicContact CZ3-CB 4.14Å; W13-N22 WeakPolarHBondContact CZ3-OD1 3.43Å; G17-N22 WeakPolarHBondContact CA-OD1 3.39Å; S18-N22 VanDerWaalsContact O-CB 3.22Å; S18-N22 WeakPolarHBondContact O-CB 2.88Å; S18-N22 PolarHBondContact O-N 3.31Å; S18-N22 PolarHBondContact O-ND2 3.41Å; S18-N22 PolarHBondContact O-OD1 3.46Å; R19-N22 PolarHBondContact O-N 3.24Å; N22-K24 VanDerWaalsContact C-N 3.29Å; N22-K24 PolarHBondContact O-N 2.96Å; N22-L25 CarbonylContact O-C 3.53Å; N22-L25 WeakPolarHBondContact O-CA 3.43Å; N22-L25 PolarHBondContact O-N 3.12Å; N22-L26 VanDerWaalsContact O-CG 3.24Å; N22-L26 WeakPolarHBondContact O-CG 3.49Å; N22-L26 PolarHBondContact O-N 3.38Å; N22-F48 WeakPolarHBondContact ND2-CG 3.45Å
23D96.2Very high96Very high83 Ų8371.2 Ų71.244%0.44436%0.358SS..Hα-helixtrans-57.1-40.5179.8-77.3-13.1000112.6R19 L26 K27R19-D23 WeakPolarHBondContact O-CB 3.49Å; R19-D23 VanDerWaalsContact O-CG 3.3Å; R19-D23 PolarHBondContact O-N 3.24Å; D23-L26 PolarHBondContact O-N 3.4Å; D23-K27 WeakPolarHBondContact O-CB 3.46Å; D23-K27 PolarHBondContact O-N 3.24Å
24K95.9Very high95.7Very high133 Ų13373.2 Ų73.258%0.57837%0.367SS*.Hα-helixtrans-61.3-44.8174.2-67.4165.1-159.9157.30111.6D20 D21 N22 L28D20-K24 WeakPolarHBondContact O-CE 3.41Å; D20-K24 VanDerWaalsContact O-CG 3.29Å; D20-K24 WeakPolarHBondContact O-CG 3.24Å; D20-K24 PolarHBondContact O-N 3.11Å; D21-K24 PolarHBondContact O-N 3.36Å; D21-K24 IonicContact OD1-NZ 3.78Å; D21-K24 PolarHBondContact OD1-NZ 3.45Å; N22-K24 VanDerWaalsContact C-N 3.29Å; N22-K24 PolarHBondContact O-N 2.96Å; K24-L28 PolarHBondContact O-N 3.28Å
25L96.3Very high95.4Very high20 Ų2075.1 Ų75.111%0.10538%0.38CS..Hα-helixtrans-68.6-41.4178.6-67.9171.8000112W13 D21 N22 K27 L28 L29 L240W13-L25 HydrophobicContact CH2-CB 4.28Å; W13-L25 HydrophobicContact CH2-CD1 4.07Å; W13-L25 HydrophobicContact CZ2-CB 4.13Å; W13-L25 HydrophobicContact CZ2-CD1 3.77Å; D21-L25 WeakPolarHBondContact O-CG 3.4Å; D21-L25 PolarHBondContact O-N 2.8Å; D21-L25 VanDerWaalsContact O-N 3.16Å; N22-L25 CarbonylContact O-C 3.53Å; N22-L25 WeakPolarHBondContact O-CA 3.43Å; N22-L25 PolarHBondContact O-N 3.12Å; L25-K27 VanDerWaalsContact C-N 3.35Å; L25-L28 WeakPolarHBondContact O-CB 2.98Å; L25-L28 PolarHBondContact O-N 3.44Å; L25-L29 WeakPolarHBondContact O-CB 3.35Å; L25-L29 VanDerWaalsContact O-CG 3.3Å; L25-L29 WeakPolarHBondContact O-CG 3.3Å; L25-L29 PolarHBondContact O-N 3.14Å; L25-L240 HydrophobicContact CD1-CD2 4.32Å
26L96.1Very high95.1Very high10 Ų1073.7 Ų73.75%0.05238%0.375CS..Hα-helixtrans-64.9-40.5177.8-62.3178.4000111.2W13 N22 D23 L29 S30 I42 I52 L56W13-L26 HydrophobicContact CH2-CD2 4.5Å; N22-L26 VanDerWaalsContact O-CG 3.24Å; N22-L26 WeakPolarHBondContact O-CG 3.49Å; N22-L26 PolarHBondContact O-N 3.38Å; D23-L26 PolarHBondContact O-N 3.4Å; L26-L29 PolarHBondContact O-N 3.22Å; L26-S30 VanDerWaalsContact O-CB 3.3Å; L26-S30 WeakPolarHBondContact O-CB 3.45Å; L26-S30 PolarHBondContact O-N 3.5Å; L26-S30 PolarHBondContact O-OG 3.4Å; L26-I42 HydrophobicContact CD2-CD1 3.88Å; L26-I52 HydrophobicContact CD1-CG1 4.11Å; L26-I52 HydrophobicContact CD2-CG1 4.33Å; L26-I52 HydrophobicContact CD2-CG2 3.86Å; L26-L56 HydrophobicContact CD2-CB 4.37Å; L26-L56 HydrophobicContact CD2-CD1 3.84Å
27K95.7Very high94.8Very high131 Ų13173.7 Ų73.757%0.5738%0.376SS*.Hα-helixtrans-57.9-52174-176.8178177.6-178.20110.8D23 L25 L29 S30 E31D23-K27 WeakPolarHBondContact O-CB 3.46Å; D23-K27 PolarHBondContact O-N 3.24Å; L25-K27 VanDerWaalsContact C-N 3.35Å; K27-L29 VanDerWaalsContact C-N 3.34Å; K27-L29 PolarHBondContact O-N 2.94Å; K27-S30 PolarHBondContact O-N 3.24Å; K27-S30 VanDerWaalsContact O-N 3.12Å; K27-S30 PolarHBondContact O-OG 3.39Å; K27-E31 WeakPolarHBondContact CE-OE1 3.33Å; K27-E31 WeakPolarHBondContact O-CG 3.44Å; K27-E31 PolarHBondContact O-N 2.91Å; K27-E31 VanDerWaalsContact O-N 3.1Å
28L95Very high94.8Very high49 Ų4972.5 Ų72.526%0.25736%0.361SS..Hα-helixtrans-55.8-47.6177.218082.8000112.1K24 L25 S30 E31 A32 P242 T245K24-L28 PolarHBondContact O-N 3.28Å; L25-L28 WeakPolarHBondContact O-CB 2.98Å; L25-L28 PolarHBondContact O-N 3.44Å; L28-S30 VanDerWaalsContact C-N 3.3Å; L28-S30 PolarHBondContact O-N 3.46Å; L28-E31 PolarHBondContact O-N 2.94Å; L28-A32 WeakPolarHBondContact O-CB 3.39Å; L28-A32 PolarHBondContact O-N 3.44Å; L28-P242 VanDerWaalsContact CD2-CA 3.5Å; L28-P242 HydrophobicContact CD2-CB 4.17Å; L28-T245 HydrophobicContact CD1-CG2 4.4Å; L28-T245 HydrophobicContact CD2-CG2 3.67Å; L28-T245 HydrophobicContact CG-CG2 3.73Å
29L95.7Very high94.8Very high5 Ų571.8 Ų71.83%0.02635%0.353CS..Hα-helixtrans-64.4-34.5178.7-73.3173.2000112.4L25 L26 K27 F34 I42 L56 I60 F244 T245L25-L29 WeakPolarHBondContact O-CB 3.35Å; L25-L29 VanDerWaalsContact O-CG 3.3Å; L25-L29 WeakPolarHBondContact O-CG 3.3Å; L25-L29 PolarHBondContact O-N 3.14Å; L26-L29 PolarHBondContact O-N 3.22Å; K27-L29 VanDerWaalsContact C-N 3.34Å; K27-L29 PolarHBondContact O-N 2.94Å; L29-F34 HydrophobicContact CD2-CZ 4.1Å; L29-I42 HydrophobicContact CD1-CD1 4.08Å; L29-I42 HydrophobicContact CD1-CG2 3.8Å; L29-L56 HydrophobicContact CB-CD1 3.96Å; L29-L56 HydrophobicContact CD1-CD1 4.33Å; L29-I60 HydrophobicContact CB-CD1 3.92Å; L29-F244 HydrophobicContact CD2-CD1 4.05Å; L29-F244 HydrophobicContact CD2-CE1 4.28Å; L29-T245 HydrophobicContact CD2-CG2 4.45Å
30S92.8Very high94.8Very high38 Ų3864.2 Ų64.227%0.26633%0.325SS..Hα-helixtrans-71.9-28.9179.577.20000113.6L26 K27 L28 K57L26-S30 VanDerWaalsContact O-CB 3.3Å; L26-S30 WeakPolarHBondContact O-CB 3.45Å; L26-S30 PolarHBondContact O-N 3.5Å; L26-S30 PolarHBondContact O-OG 3.4Å; K27-S30 PolarHBondContact O-N 3.24Å; K27-S30 VanDerWaalsContact O-N 3.12Å; K27-S30 PolarHBondContact O-OG 3.39Å; L28-S30 VanDerWaalsContact C-N 3.3Å; L28-S30 PolarHBondContact O-N 3.46Å; S30-K57 PolarHBondContact O-NZ 3.32Å
31E94.1Very high94.9Very high116 Ų11658.8 Ų58.854%0.54230%0.296SS..Hα-helixtrans-87.3-20.8178.4-68.6172.2176.800112.1K27 L28 H33K27-E31 WeakPolarHBondContact CE-OE1 3.33Å; K27-E31 WeakPolarHBondContact O-CG 3.44Å; K27-E31 PolarHBondContact O-N 2.91Å; K27-E31 VanDerWaalsContact O-N 3.1Å; L28-E31 PolarHBondContact O-N 2.94Å; E31-H33 PolarHBondContact O-ND1 2.71Å
32A93.4Very high95Very high20 Ų2055 Ų5517%0.16528%0.276CS..  trans-70.2139.617700000111.9L28 F34 T245L28-A32 WeakPolarHBondContact O-CB 3.39Å; L28-A32 PolarHBondContact O-N 3.44Å; A32-F34 HydrophobicContact CB-CE1 3.82Å; A32-F34 HydrophobicContact CB-CE2 4Å; A32-F34 HydrophobicContact CB-CZ 3.47Å; A32-F34 VanDerWaalsContact CB-CZ 3.47Å; A32-T245 HydrophobicContact CB-CG2 3.9Å
33H92.2Very high95.1Very high155 Ų15555 Ų5572%0.71828%0.276SS*.  trans-102.9128.7167.9-65.977.5000108.5E31 K249E31-H33 PolarHBondContact O-ND1 2.71Å; H33-K249 WeakPolarHBondContact O-CE 3.36Å
34F92Very high95.2Very high43 Ų4351 Ų5119%0.18925%0.254CS..  trans-114.8141.7175.3-52.7-61.9000109.4L29 A32 V40 I60 T245 C248 K249L29-F34 HydrophobicContact CD2-CZ 4.1Å; A32-F34 HydrophobicContact CB-CE1 3.82Å; A32-F34 HydrophobicContact CB-CE2 4Å; A32-F34 HydrophobicContact CB-CZ 3.47Å; A32-F34 VanDerWaalsContact CB-CZ 3.47Å; F34-V40 HydrophobicContact CB-CG2 4.3Å; F34-V40 HydrophobicContact CD1-CG2 4.18Å; F34-V40 HydrophobicContact CD2-CB 4.37Å; F34-V40 HydrophobicContact CD2-CG2 3.76Å; F34-V40 HydrophobicContact CE1-CG2 4.49Å; F34-V40 HydrophobicContact CE2-CB 4.41Å; F34-V40 HydrophobicContact CE2-CG1 4.29Å; F34-V40 HydrophobicContact CE2-CG2 4.09Å; F34-V40 HydrophobicContact CG-CG2 3.81Å; F34-V40 HydrophobicContact CZ-CG1 4.48Å; F34-V40 HydrophobicContact CZ-CG2 4.43Å; F34-I60 HydrophobicContact CE2-CD1 3.84Å; F34-I60 HydrophobicContact CE2-CG1 4.25Å; F34-T245 HydrophobicContact CZ-CG2 4.46Å; F34-C248 HydrophobicContact CD1-CB 3.75Å; F34-C248 HydrophobicContact CE1-CB 3.45Å; F34-C248 VanDerWaalsContact CE1-CB 3.45Å; F34-C248 HydrophobicContact CZ-CB 4.26Å; F34-K249 HydrophobicContact CD1-CG 4.4Å
35D91Very high95.3Very high79 Ų7945.5 Ų45.542%0.42223%0.232SC..  trans-60.5141.9173.9-178.6-79.5000110.6N37 T38 Q252D35-N37 PolarHBondContact O-N 2.79Å; D35-N37 WeakPolarHBondContact OD1-CA 3.4Å; D35-N37 WeakPolarHBondContact OD1-CB 3.36Å; D35-N37 PolarHBondContact OD1-N 3.17Å; D35-T38 WeakPolarHBondContact O-CA 3.5Å; D35-T38 WeakPolarHBondContact O-CB 3.24Å; D35-T38 PolarHBondContact O-N 2.93Å; D35-Q252 HydrophobicContact CB-CG 3.64Å
36D91.1Very high95.4Very high149 Ų14947.9 Ų47.980%0.79725%0.25SS*.THydrogen-bonded Turntrans-60.1-20.1-177.7-69.8-24.8000113.1K6 T38K6-D36 WeakPolarHBondContact CE-O 3.36Å; K6-D36 PolarHBondContact NZ-O 2.82Å; D36-T38 VanDerWaalsContact C-N 3.3Å
37N93.3Very high95.5Very high85 Ų8552.9 Ų52.946%0.45528%0.281SS..THydrogen-bonded Turntrans-90.314.1173.7-161.337000113.3K6 F7 D35K6-N37 WeakPolarHBondContact CA-OD1 3.14Å; K6-N37 VanDerWaalsContact CG-C 3.48Å; K6-N37 VanDerWaalsContact CG-O 3.29Å; K6-N37 WeakPolarHBondContact CG-O 3.29Å; F7-N37 WeakPolarHBondContact CB-O 3.31Å; F7-N37 PolarHBondContact N-O 3.36Å; D35-N37 PolarHBondContact O-N 2.79Å; D35-N37 WeakPolarHBondContact OD1-CA 3.4Å; D35-N37 WeakPolarHBondContact OD1-CB 3.36Å; D35-N37 PolarHBondContact OD1-N 3.17Å
38T95.8Very high95.6Very high10 Ų1048.3 Ų48.36%0.06126%0.261CS..EExtended strand (participates in β ladder)trans-118.9128.7168.9-55.60000110.7K6 F7 D35 D36 V40K6-T38 WeakPolarHBondContact CE-O 3.3Å; F7-T38 HydrophobicContact CD1-CG2 3.98Å; F7-T38 CarbonylContact O-C 3.56Å; F7-T38 WeakPolarHBondContact O-CA 3.5Å; D35-T38 WeakPolarHBondContact O-CA 3.5Å; D35-T38 WeakPolarHBondContact O-CB 3.24Å; D35-T38 PolarHBondContact O-N 2.93Å; D36-T38 VanDerWaalsContact C-N 3.3Å; T38-V40 HydrophobicContact CG2-CG2 3.87Å
39E96.8Very high95.8Very high26 Ų2646.1 Ų46.112%0.12125%0.25CC..EExtended strand (participates in β ladder)trans-102125.4171.2-166171.4147.700108.1K6 F7 F8 V9 H61 W91 R209K6-E39 HydrophobicContact CD-CB 4.2Å; K6-E39 HydrophobicContact CG-CB 4.45Å; F7-E39 PolarHBondContact O-N 2.74Å; F8-E39 WeakPolarHBondContact CA-O 3.4Å; F8-E39 HydrophobicContact CD2-CB 3.97Å; F8-E39 HydrophobicContact CD2-CG 4.05Å; F8-E39 HydrophobicContact CE2-CG 4.16Å; F8-E39 WeakPolarHBondContact CE2-OE1 3.24Å; V9-E39 PolarHBondContact N-O 2.85Å; E39-H61 IonicContact OE1-CD2 3.95Å; E39-H61 IonicContact OE1-NE2 2.71Å; E39-W91 VanDerWaalsContact OE1-CZ2 3.24Å; E39-W91 WeakPolarHBondContact OE1-CZ2 3.47Å; E39-R209 IonicContact OE1-NH1 3.34Å; E39-R209 IonicContact OE2-CZ 2.72Å; E39-R209 IonicContact OE2-NH1 3.74Å; E39-R209 PolarHBondContact OE2-NH1 2.9Å
40V97.7Very high95.9Very high3 Ų350.5 Ų50.52%0.01827%0.27CS..EExtended strand (participates in β ladder)trans-116.2138.6-176-175.20000109.4V9 F34 T38 I60 H61 F244 C248V9-V40 WeakPolarHBondContact O-CA 3.27Å; F34-V40 HydrophobicContact CB-CG2 4.3Å; F34-V40 HydrophobicContact CD1-CG2 4.18Å; F34-V40 HydrophobicContact CD2-CB 4.37Å; F34-V40 HydrophobicContact CD2-CG2 3.76Å; F34-V40 HydrophobicContact CE1-CG2 4.49Å; F34-V40 HydrophobicContact CE2-CB 4.41Å; F34-V40 HydrophobicContact CE2-CG1 4.29Å; F34-V40 HydrophobicContact CE2-CG2 4.09Å; F34-V40 HydrophobicContact CG-CG2 3.81Å; F34-V40 HydrophobicContact CZ-CG1 4.48Å; F34-V40 HydrophobicContact CZ-CG2 4.43Å; T38-V40 HydrophobicContact CG2-CG2 3.87Å; V40-I60 HydrophobicContact CB-CG2 4.3Å; V40-I60 HydrophobicContact CG1-CG2 4.01Å; V40-H61 PolarHBondContact O-N 3.23Å; V40-F244 HydrophobicContact CG1-CE1 4.37Å; V40-C248 HydrophobicContact CG2-CB 4.19Å
41L98Very high96.1Very high0 Ų051.2 Ų51.20%027%0.269CS..EExtended strand (participates in β ladder)trans-141.2146.8179.8175.3139.6000110.8F8 V9 G10 G11 A43 H61 A63 W91 I125F8-L41 HydrophobicContact CZ-CB 4.38Å; F8-L41 HydrophobicContact CZ-CD1 4.46Å; V9-L41 PolarHBondContact O-N 3.5Å; G10-L41 CarbonylContact C-O 3.48Å; G10-L41 WeakPolarHBondContact CA-O 3.43Å; G11-L41 PolarHBondContact N-O 3.49Å; L41-A43 HydrophobicContact CD2-CB 4.39Å; L41-H61 WeakPolarHBondContact CA-O 3.34Å; L41-H61 HydrophobicContact CB-CB 4.01Å; L41-H61 HydrophobicContact CD1-CB 3.65Å; L41-H61 HydrophobicContact CG-CB 4.07Å; L41-A63 HydrophobicContact CD1-CB 3.64Å; L41-A63 HydrophobicContact CD2-CB 3.76Å; L41-A63 HydrophobicContact CG-CB 4.04Å; L41-W91 HydrophobicContact CD1-CB 3.4Å; L41-W91 HydrophobicContact CD1-CD2 3.95Å; L41-W91 HydrophobicContact CD1-CG 3.39Å; L41-I125 HydrophobicContact CD1-CD1 4.45Å; L41-I125 HydrophobicContact CD2-CD1 3.97Å
42I98.3Very high96.2Very high0 Ų045.7 Ų45.70%024%0.243CC..EExtended strand (participates in β ladder)trans-122.8147.216458.5170.2000111.1G11 W13 L26 L29 I52 L56 H61 V62 A63 F244G11-I42 CarbonylContact O-C 3.54Å; G11-I42 WeakPolarHBondContact O-CA 3.33Å; W13-I42 HydrophobicContact CH2-CD1 3.93Å; W13-I42 HydrophobicContact CZ2-CB 4.29Å; W13-I42 HydrophobicContact CZ2-CD1 3.67Å; W13-I42 HydrophobicContact CZ2-CG2 4.34Å; L26-I42 HydrophobicContact CD2-CD1 3.88Å; L29-I42 HydrophobicContact CD1-CD1 4.08Å; L29-I42 HydrophobicContact CD1-CG2 3.8Å; I42-I52 HydrophobicContact CD1-CG2 3.64Å; I42-I52 HydrophobicContact CG1-CG2 4.42Å; I42-L56 HydrophobicContact CD1-CD2 3.83Å; I42-L56 HydrophobicContact CG1-CD2 4.02Å; I42-H61 PolarHBondContact N-O 3.36Å; I42-H61 VanDerWaalsContact N-O 3.08Å; I42-V62 HydrophobicContact CG1-CG2 4.26Å; I42-V62 CarbonylContact O-C 3.57Å; I42-V62 WeakPolarHBondContact O-CA 3.43Å; I42-A63 PolarHBondContact O-N 3.46Å; I42-F244 HydrophobicContact CG2-CE1 3.9Å
43A98.8Very high96.4Very high0 Ų046 Ų460%024%0.24CC..EExtended strand (participates in β ladder)trans-125.189.1179.700000110.1G11 W13 L41 A63 Q65 I93G11-A43 PolarHBondContact O-N 2.96Å; W13-A43 WeakPolarHBondContact CB-O 3.48Å; W13-A43 PolarHBondContact N-O 3.06Å; W13-A43 VanDerWaalsContact N-O 3.08Å; L41-A43 HydrophobicContact CD2-CB 4.39Å; A43-A63 VanDerWaalsContact CA-O 3.26Å; A43-A63 WeakPolarHBondContact CA-O 3.24Å; A43-A63 HydrophobicContact CB-CB 3.97Å; A43-Q65 HydrophobicContact CB-CG 4.04Å; A43-Q65 PolarHBondContact O-NE2 2.75Å; A43-I93 HydrophobicContact CB-CD1 3.5Å; A43-I93 VanDerWaalsContact CB-CD1 3.5Å; A43-I93 HydrophobicContact CB-CG1 4.35Å
44P98.6Very high96.7Very high0 Ų046.1 Ų46.10%024%0.238CC..  trans-80.7165.9176.835.1-37.8000112.6W13 F48 L49 I52 V62 Q65W13-P44 HydrophobicContact CD2-CB 4.27Å; W13-P44 HydrophobicContact CE3-CB 3.57Å; W13-P44 HydrophobicContact CZ3-CB 3.91Å; P44-F48 HydrophobicContact CB-CB 4.34Å; P44-L49 HydrophobicContact CG-CD2 3.79Å; P44-L49 HydrophobicContact CG-CG 4.37Å; P44-I52 HydrophobicContact CB-CD1 3.26Å; P44-I52 HydrophobicContact CG-CB 4.38Å; P44-I52 HydrophobicContact CG-CD1 3.47Å; P44-I52 VanDerWaalsContact CG-CD1 3.47Å; P44-I52 HydrophobicContact CG-CG2 4.31Å; P44-V62 HydrophobicContact CG-CG1 4.3Å; P44-Q65 PolarHBondContact O-NE2 3.3Å
45P98.7Very high96.9Very high17 Ų1747.4 Ų47.411%0.1125%0.253CS..  trans-50.5147164.7-2631.3000112.5K14 N16 V47 F48 L49K14-P45 WeakPolarHBondContact O-CD 3.42Å; K14-P45 VanDerWaalsContact O-CG 3.3Å; K14-P45 WeakPolarHBondContact O-CG 3.28Å; N16-P45 VanDerWaalsContact O-CD 3.31Å; N16-P45 WeakPolarHBondContact O-CD 3.4Å; N16-P45 WeakPolarHBondContact O-CG 3.42Å; P45-V47 HydrophobicContact CB-CG2 3.98Å; P45-V47 PolarHBondContact O-N 2.71Å; P45-V47 VanDerWaalsContact O-N 3.11Å; P45-F48 HydrophobicContact CB-CD2 3.98Å; P45-F48 HydrophobicContact CB-CE2 4.43Å; P45-F48 HydrophobicContact CG-CD2 3.98Å; P45-F48 HydrophobicContact CG-CE2 4.27Å; P45-F48 PolarHBondContact O-N 3.49Å; P45-L49 PolarHBondContact O-N 2.93Å
46S98.5Very high97Very high69 Ų6944.1 Ų44.148%0.48324%0.235SC..G310 helixtrans-56.4-33.2-175.954.60000113.8F48 L49S46-F48 PolarHBondContact O-N 3.08Å; S46-L49 PolarHBondContact O-N 3.23Å
47V98.3Very high97Very high115 Ų11542.3 Ų42.370%0.69722%0.22SC*.G310 helixtrans-61.4-20.6176.5-63.80000114P45P45-V47 HydrophobicContact CB-CG2 3.98Å; P45-V47 PolarHBondContact O-N 2.71Å; P45-V47 VanDerWaalsContact O-N 3.11Å
48F98.4Very high96.9Very high35 Ų3547.1 Ų47.115%0.15424%0.237CC..G310 helixtrans-108.7-5.8179.9-57.1-56.9000113.8N22 P44 P45 S46 H50 E51 I52N22-F48 WeakPolarHBondContact ND2-CG 3.45Å; P44-F48 HydrophobicContact CB-CB 4.34Å; P45-F48 HydrophobicContact CB-CD2 3.98Å; P45-F48 HydrophobicContact CB-CE2 4.43Å; P45-F48 HydrophobicContact CG-CD2 3.98Å; P45-F48 HydrophobicContact CG-CE2 4.27Å; P45-F48 PolarHBondContact O-N 3.49Å; S46-F48 PolarHBondContact O-N 3.08Å; F48-H50 PolarHBondContact O-N 2.65Å; F48-E51 PolarHBondContact O-N 3.01Å; F48-I52 HydrophobicContact CB-CD1 3.61Å; F48-I52 HydrophobicContact CB-CG1 4.34Å; F48-I52 WeakPolarHBondContact O-CB 3.14Å; F48-I52 WeakPolarHBondContact O-CG1 2.94Å; F48-I52 PolarHBondContact O-N 3.31Å
49L97.8Very high96.8Very high4 Ų453.5 Ų53.52%0.02127%0.266CS..Hα-helixtrans-54.8-50.8-171.9-82170.4000113.3P44 P45 S46 I52 R53 V62 A63 A64 I87P44-L49 HydrophobicContact CG-CD2 3.79Å; P44-L49 HydrophobicContact CG-CG 4.37Å; P45-L49 PolarHBondContact O-N 2.93Å; S46-L49 PolarHBondContact O-N 3.23Å; L49-I52 PolarHBondContact O-N 3.33Å; L49-R53 WeakPolarHBondContact O-CB 3.44Å; L49-R53 PolarHBondContact O-N 3.44Å; L49-V62 HydrophobicContact CD2-CG1 3.73Å; L49-A63 VanDerWaalsContact CD2-O 3.29Å; L49-A63 WeakPolarHBondContact CD2-O 3.43Å; L49-A64 HydrophobicContact CD1-CB 3.88Å; L49-I87 HydrophobicContact CB-CD1 3.54Å; L49-I87 HydrophobicContact CD1-CD1 4.31Å
50H97.7Very high96.8Very high96 Ų9652.7 Ų52.744%0.44426%0.263SS..Hα-helixtrans-66.8-42.5-176.3-177.266000112F48 R53 K54 I87F48-H50 PolarHBondContact O-N 2.65Å; H50-R53 PolarHBondContact O-N 3.25Å; H50-K54 VanDerWaalsContact NE2-CD 3.33Å; H50-K54 WeakPolarHBondContact NE2-CD 3.16Å; H50-K54 WeakPolarHBondContact O-CG 3.5Å; H50-K54 PolarHBondContact O-N 3.18Å; H50-K54 VanDerWaalsContact O-N 3.09Å; H50-I87 HydrophobicContact CB-CB 4.21Å; H50-I87 HydrophobicContact CB-CD1 4.27Å; H50-I87 HydrophobicContact CB-CG2 4.19Å
51E97.5Very high96.8Very high54 Ų5454.3 Ų54.325%0.25227%0.27SS..Hα-helixtrans-61.7-46.3178.2-171.4-179.7133.700111.1R19 F48 K54 S55R19-E51 WeakPolarHBondContact CG-OE1 3.5Å; R19-E51 IonicContact CZ-OE2 3.64Å; R19-E51 IonicContact NE-OE1 3.66Å; R19-E51 IonicContact NE-OE2 3.7Å; R19-E51 PolarHBondContact NE-OE2 2.96Å; R19-E51 IonicContact NH2-OE2 3.23Å; F48-E51 PolarHBondContact O-N 3.01Å; E51-K54 PolarHBondContact O-N 2.97Å; E51-S55 WeakPolarHBondContact O-CB 3.45Å; E51-S55 PolarHBondContact O-N 2.8Å; E51-S55 PolarHBondContact O-OG 2.99Å
52I97.6Very high96.8Very high0 Ų054.3 Ų54.30%027%0.27CS..Hα-helixtrans-67.2-45.5178.9-75.3165.6000111.5W13 L26 I42 P44 F48 L49 K54 S55 L56 V62W13-I52 HydrophobicContact CE3-CD1 4.28Å; W13-I52 HydrophobicContact CH2-CD1 3.99Å; W13-I52 HydrophobicContact CZ3-CD1 3.45Å; W13-I52 VanDerWaalsContact CZ3-CD1 3.45Å; L26-I52 HydrophobicContact CD1-CG1 4.11Å; L26-I52 HydrophobicContact CD2-CG1 4.33Å; L26-I52 HydrophobicContact CD2-CG2 3.86Å; I42-I52 HydrophobicContact CD1-CG2 3.64Å; I42-I52 HydrophobicContact CG1-CG2 4.42Å; P44-I52 HydrophobicContact CB-CD1 3.26Å; P44-I52 HydrophobicContact CG-CB 4.38Å; P44-I52 HydrophobicContact CG-CD1 3.47Å; P44-I52 VanDerWaalsContact CG-CD1 3.47Å; P44-I52 HydrophobicContact CG-CG2 4.31Å; F48-I52 HydrophobicContact CB-CD1 3.61Å; F48-I52 HydrophobicContact CB-CG1 4.34Å; F48-I52 WeakPolarHBondContact O-CB 3.14Å; F48-I52 WeakPolarHBondContact O-CG1 2.94Å; F48-I52 PolarHBondContact O-N 3.31Å; L49-I52 PolarHBondContact O-N 3.33Å; I52-K54 VanDerWaalsContact C-N 3.27Å; I52-K54 PolarHBondContact O-N 2.99Å; I52-S55 PolarHBondContact O-N 2.85Å; I52-S55 VanDerWaalsContact O-N 3.11Å; I52-L56 WeakPolarHBondContact O-CB 3.5Å; I52-L56 PolarHBondContact O-N 3.29Å; I52-V62 HydrophobicContact CG2-CG1 4.22Å; I52-V62 HydrophobicContact CG2-CG2 3.88Å
53R97.4Very high96.8Very high27 Ų2754.3 Ų54.310%0.10227%0.27CS..Hα-helixtrans-61.1-37.7179.4-179.464-73.5161.71.7112.1L49 H50 S55 L56 K57 I60 V62 I87 G88L49-R53 WeakPolarHBondContact O-CB 3.44Å; L49-R53 PolarHBondContact O-N 3.44Å; H50-R53 PolarHBondContact O-N 3.25Å; R53-S55 VanDerWaalsContact C-N 3.32Å; R53-L56 PolarHBondContact NH2-O 3.16Å; R53-K57 PolarHBondContact NH2-O 3.1Å; R53-I60 PolarHBondContact NH1-O 2.88Å; R53-I60 PolarHBondContact NH2-O 2.92Å; R53-V62 HydrophobicContact CB-CB 4.48Å; R53-V62 HydrophobicContact CB-CG2 4.43Å; R53-I87 WeakPolarHBondContact CG-O 3.43Å; R53-G88 VanDerWaalsContact CD-O 3.25Å; R53-G88 WeakPolarHBondContact CD-O 3.33Å
54K96.9Very high96.8Very high156 Ų15654.4 Ų54.468%0.67827%0.271SS*.Hα-helixtrans-67-32.9176.1-78.3-177.263.2178.60113.4H50 E51 I52H50-K54 VanDerWaalsContact NE2-CD 3.33Å; H50-K54 WeakPolarHBondContact NE2-CD 3.16Å; H50-K54 WeakPolarHBondContact O-CG 3.5Å; H50-K54 PolarHBondContact O-N 3.18Å; H50-K54 VanDerWaalsContact O-N 3.09Å; E51-K54 PolarHBondContact O-N 2.97Å; I52-K54 VanDerWaalsContact C-N 3.27Å; I52-K54 PolarHBondContact O-N 2.99Å
55S95.9Very high96.8Very high71 Ų7156.6 Ų56.650%0.49728%0.281SS..Hα-helixtrans-90.3-24.9-172.8-56.60000112.8E51 I52 R53E51-S55 WeakPolarHBondContact O-CB 3.45Å; E51-S55 PolarHBondContact O-N 2.8Å; E51-S55 PolarHBondContact O-OG 2.99Å; I52-S55 PolarHBondContact O-N 2.85Å; I52-S55 VanDerWaalsContact O-N 3.11Å; R53-S55 VanDerWaalsContact C-N 3.32Å
56L93.9Very high96.9Very high10 Ų1057.3 Ų57.35%0.05228%0.284CS..SBendtrans-92.6141.2-176.8-161.169.8000112.2L26 L29 I42 I52 R53 I60 V62L26-L56 HydrophobicContact CD2-CB 4.37Å; L26-L56 HydrophobicContact CD2-CD1 3.84Å; L29-L56 HydrophobicContact CB-CD1 3.96Å; L29-L56 HydrophobicContact CD1-CD1 4.33Å; I42-L56 HydrophobicContact CD1-CD2 3.83Å; I42-L56 HydrophobicContact CG1-CD2 4.02Å; I52-L56 WeakPolarHBondContact O-CB 3.5Å; I52-L56 PolarHBondContact O-N 3.29Å; R53-L56 PolarHBondContact NH2-O 3.16Å; L56-I60 HydrophobicContact CD1-CD1 4.03Å; L56-I60 HydrophobicContact CD2-CB 3.61Å; L56-I60 HydrophobicContact CD2-CD1 4.48Å; L56-I60 HydrophobicContact CD2-CG2 3.44Å; L56-I60 VanDerWaalsContact CD2-CG2 3.44Å; L56-I60 HydrophobicContact CG-CB 3.99Å; L56-I60 HydrophobicContact CG-CD1 4.31Å; L56-I60 HydrophobicContact CG-CG2 4.32Å; L56-V62 HydrophobicContact CD2-CG2 3.92Å
57K91.6Very high96.9Very high110 Ų11054.1 Ų54.148%0.47826%0.261SS..  trans-60.6149.9175.6-54178.3172.4166.60111.6S30 R53 E59 I60S30-K57 PolarHBondContact O-NZ 3.32Å; R53-K57 PolarHBondContact NH2-O 3.1Å; K57-E59 WeakPolarHBondContact CB-OE2 3.1Å; K57-E59 PolarHBondContact O-N 3.29Å; K57-I60 PolarHBondContact O-N 3.39Å
58K91.4Very high96.9Very high186 Ų18651 Ų5181%0.80924%0.237SC*.THydrogen-bonded Turntrans-66.8-21.7-172.4-72.8-175.4177.5-179.50113.5I60K58-I60 PolarHBondContact O-N 3.18Å
59E92.8Very high96.9Very high145 Ų14552.3 Ų52.368%0.67824%0.243SC*.THydrogen-bonded Turntrans-66.4-22.3177.1-61.284.8168.800112.5K57K57-E59 WeakPolarHBondContact CB-OE2 3.1Å; K57-E59 PolarHBondContact O-N 3.29Å
60I96.5Very high96.9Very high9 Ų954.8 Ų54.85%0.04626%0.258CS..EExtended strand (participates in β ladder)trans-104.3119.9173.4-53.9171.4000108L29 F34 V40 R53 L56 K57 K58L29-I60 HydrophobicContact CB-CD1 3.92Å; F34-I60 HydrophobicContact CE2-CD1 3.84Å; F34-I60 HydrophobicContact CE2-CG1 4.25Å; V40-I60 HydrophobicContact CB-CG2 4.3Å; V40-I60 HydrophobicContact CG1-CG2 4.01Å; R53-I60 PolarHBondContact NH1-O 2.88Å; R53-I60 PolarHBondContact NH2-O 2.92Å; L56-I60 HydrophobicContact CD1-CD1 4.03Å; L56-I60 HydrophobicContact CD2-CB 3.61Å; L56-I60 HydrophobicContact CD2-CD1 4.48Å; L56-I60 HydrophobicContact CD2-CG2 3.44Å; L56-I60 VanDerWaalsContact CD2-CG2 3.44Å; L56-I60 HydrophobicContact CG-CB 3.99Å; L56-I60 HydrophobicContact CG-CD1 4.31Å; L56-I60 HydrophobicContact CG-CG2 4.32Å; K57-I60 PolarHBondContact O-N 3.39Å; K58-I60 PolarHBondContact O-N 3.18Å
61H97.8Very high96.9Very high37 Ų3752.9 Ų52.917%0.17126%0.256CS..EExtended strand (participates in β ladder)trans-71.8154179-66.8-77.6000111.5E39 V40 L41 I42 D90 W91E39-H61 IonicContact OE1-CD2 3.95Å; E39-H61 IonicContact OE1-NE2 2.71Å; V40-H61 PolarHBondContact O-N 3.23Å; L41-H61 WeakPolarHBondContact CA-O 3.34Å; L41-H61 HydrophobicContact CB-CB 4.01Å; L41-H61 HydrophobicContact CD1-CB 3.65Å; L41-H61 HydrophobicContact CG-CB 4.07Å; I42-H61 PolarHBondContact N-O 3.36Å; I42-H61 VanDerWaalsContact N-O 3.08Å; H61-D90 IonicContact CE1-OD2 3.96Å; H61-D90 PolarHBondContact CE1-OD2 3.44Å; H61-D90 VanDerWaalsContact CE1-OD2 3.23Å; H61-D90 IonicContact CG-OD1 3.71Å; H61-D90 IonicContact CG-OD2 3.3Å; H61-D90 IonicContact ND1-OD1 3.31Å; H61-D90 PolarHBondContact ND1-OD1 3.48Å; H61-D90 IonicContact ND1-OD2 2.72Å; H61-D90 PolarHBondContact ND1-OD2 2.99Å; H61-W91 AromaticContact CD2-NE1 3.98Å; H61-W91 AromaticContact CE1-NE1 3.9Å; H61-W91 AromaticContact CG-CD1 3.68Å; H61-W91 AromaticContact CG-NE1 3.55Å; H61-W91 AromaticContact ND1-CD1 3.65Å; H61-W91 AromaticContact ND1-NE1 3.49Å; H61-W91 PolarHBondContact ND1-NE1 3.47Å
62V98.5Very high97Very high0 Ų059.1 Ų59.10%028%0.282CS..EExtended strand (participates in β ladder)trans-124122.7173.11760000107.5I42 P44 L49 I52 R53 L56 C89I42-V62 HydrophobicContact CG1-CG2 4.26Å; I42-V62 CarbonylContact O-C 3.57Å; I42-V62 WeakPolarHBondContact O-CA 3.43Å; P44-V62 HydrophobicContact CG-CG1 4.3Å; L49-V62 HydrophobicContact CD2-CG1 3.73Å; I52-V62 HydrophobicContact CG2-CG1 4.22Å; I52-V62 HydrophobicContact CG2-CG2 3.88Å; R53-V62 HydrophobicContact CB-CB 4.48Å; R53-V62 HydrophobicContact CB-CG2 4.43Å; L56-V62 HydrophobicContact CD2-CG2 3.92Å; V62-C89 WeakPolarHBondContact O-CB 3.29Å
63A98.8Very high97Very high0 Ų062 Ų620%031%0.311CS..EExtended strand (participates in β ladder)trans-106.8147.1178.300000112.2L41 I42 A43 L49 W91L41-A63 HydrophobicContact CD1-CB 3.64Å; L41-A63 HydrophobicContact CD2-CB 3.76Å; L41-A63 HydrophobicContact CG-CB 4.04Å; I42-A63 PolarHBondContact O-N 3.46Å; A43-A63 VanDerWaalsContact CA-O 3.26Å; A43-A63 WeakPolarHBondContact CA-O 3.24Å; A43-A63 HydrophobicContact CB-CB 3.97Å; L49-A63 VanDerWaalsContact CD2-O 3.29Å; L49-A63 WeakPolarHBondContact CD2-O 3.43Å; A63-W91 CarbonylContact C-O 3.6Å; A63-W91 WeakPolarHBondContact CA-O 3.49Å; A63-W91 HydrophobicContact CB-CB 3.57Å
64A98.9Very high97Very high2 Ų265.5 Ų65.52%0.01735%0.346CS..EExtended strand (participates in β ladder)trans-72.7152.6158.200000111L49 I84 W91 V92 I93L49-A64 HydrophobicContact CD1-CB 3.88Å; A64-I84 HydrophobicContact CB-CD1 3.39Å; A64-I84 HydrophobicContact CB-CG1 3.78Å; A64-I84 HydrophobicContact CB-CG2 4.17Å; A64-W91 PolarHBondContact N-O 2.91Å; A64-V92 HydrophobicContact CB-CB 4.43Å; A64-V92 HydrophobicContact CB-CG2 4.05Å; A64-V92 CarbonylContact O-C 3.4Å; A64-V92 WeakPolarHBondContact O-CA 3.19Å; A64-I93 PolarHBondContact O-N 3Å
65Q98.9Very high97.1Very high46 Ų4662 Ų6222%0.21533%0.331CS..SBendtrans-83.7-12.9177.2-66.9176.83.400113.7K14 A43 P44 I93K14-Q65 PolarHBondContact O-NE2 3.11Å; K14-Q65 PolarHBondContact O-OE1 2.86Å; A43-Q65 HydrophobicContact CB-CG 4.04Å; A43-Q65 PolarHBondContact O-NE2 2.75Å; P44-Q65 PolarHBondContact O-NE2 3.3Å; Q65-I93 CarbonylContact C-O 3.57Å; Q65-I93 VanDerWaalsContact O-O 3.1Å
66N98.9Very high97.2Very high32 Ų3265.9 Ų65.917%0.17135%0.352CS..  trans-167.6160.3177.1-168.619.4000109.5R99 E105 K113N66-R99 PolarHBondContact ND2-NE 3.41Å; N66-E105 PolarHBondContact ND2-OE1 2.73Å; N66-K113 PolarHBondContact ND2-NZ 3.02Å; N66-K113 PolarHBondContact OD1-NZ 3.23Å
67C98.8Very high97.4Very high1 Ų168.8 Ų68.81%0.00739%0.385CS..  trans-149.7171.3163.970.80000110.3I79 P81 I84 V92 K113C67-I79 CarbonylContact C-O 3.58Å; C67-I79 VanDerWaalsContact CA-O 3.27Å; C67-I79 WeakPolarHBondContact CA-O 3.3Å; C67-I79 WeakPolarHBondContact CB-O 3.45Å; C67-P81 HydrophobicContact CB-CG 4.31Å; C67-I84 HydrophobicContact CB-CD1 3.62Å; C67-V92 HydrophobicContact CB-CG2 4.1Å; C67-K113 WeakPolarHBondContact O-CD 3.3Å; C67-K113 WeakPolarHBondContact O-CE 3.38Å; C67-K113 PolarHBondContact O-NZ 3.24Å
68Y98.8Very high97.7Very high49 Ų4966.7 Ų66.719%0.19238%0.376CS..  trans-95.9171.6179.7-155.2-121.9000113.4V70 F75 E78 I79 H116Y68-V70 HydrophobicContact CD1-CG2 3.86Å; Y68-V70 HydrophobicContact CE1-CG2 4.03Å; Y68-F75 HydrophobicContact CD1-CB 4.27Å; Y68-F75 HydrophobicContact CD1-CD1 4.09Å; Y68-F75 HydrophobicContact CD1-CD2 4.04Å; Y68-F75 HydrophobicContact CD1-CE1 4.49Å; Y68-F75 HydrophobicContact CD1-CE2 4.45Å; Y68-F75 AromaticContact CD1-CG 3.85Å; Y68-F75 HydrophobicContact CD1-CG 3.85Å; Y68-F75 HydrophobicContact CE1-CB 4.25Å; Y68-F75 AromaticContact CE1-CD1 3.27Å; Y68-F75 HydrophobicContact CE1-CD1 3.27Å; Y68-F75 AromaticContact CE1-CD2 3.87Å; Y68-F75 HydrophobicContact CE1-CD2 3.87Å; Y68-F75 AromaticContact CE1-CE1 3.43Å; Y68-F75 HydrophobicContact CE1-CE1 3.43Å; Y68-F75 VanDerWaalsContact CE1-CE1 3.43Å; Y68-F75 HydrophobicContact CE1-CE2 4.02Å; Y68-F75 AromaticContact CE1-CG 3.5Å; Y68-F75 HydrophobicContact CE1-CG 3.5Å; Y68-F75 AromaticContact CE1-CZ 3.81Å; Y68-F75 HydrophobicContact CE1-CZ 3.81Å; Y68-F75 AromaticContact CZ-CD1 3.71Å; Y68-F75 AromaticContact CZ-CE1 3.92Å; Y68-E78 HydrophobicContact CD2-CB 4.47Å; Y68-E78 HydrophobicContact CD2-CG 3.83Å; Y68-E78 WeakPolarHBondContact CD2-OE2 3.45Å; Y68-E78 HydrophobicContact CE2-CG 4.34Å; Y68-E78 HydrophobicContact CG-CB 4.14Å; Y68-E78 HydrophobicContact CG-CG 3.97Å; Y68-I79 PolarHBondContact N-O 2.99Å; Y68-H116 PolarHBondContact O-CD2 3.39Å
69K98.7Very high98.1Very high63 Ų6360.4 Ų60.427%0.27435%0.351SS..SBendtrans-91.30.1-169.164.5164.3177.7-179.30115.9L109 E112 K113 H116K69-L109 HydrophobicContact CB-CD1 4.5Å; K69-L109 HydrophobicContact CD-CD1 3.78Å; K69-L109 HydrophobicContact CG-CD1 4.17Å; K69-E112 HydrophobicContact CB-CB 3.93Å; K69-E112 HydrophobicContact CD-CB 3.81Å; K69-E112 HydrophobicContact CD-CG 4.28Å; K69-E112 WeakPolarHBondContact CD-OE2 3.17Å; K69-E112 WeakPolarHBondContact CE-OE2 3.37Å; K69-E112 IonicContact NZ-OE1 3.8Å; K69-E112 PolarHBondContact NZ-OE1 2.85Å; K69-E112 IonicContact NZ-OE2 3.86Å; K69-E112 PolarHBondContact NZ-OE2 2.67Å; K69-K113 HydrophobicContact CB-CG 3.96Å; K69-H116 WeakPolarHBondContact O-CB 3.48Å
70V98.3Very high98.4Very high56 Ų5653.9 Ų53.934%0.33932%0.322SS..SBendtrans-138.5156.5179.2-64.30000111.1Y68 K72 F75 H116Y68-V70 HydrophobicContact CD1-CG2 3.86Å; Y68-V70 HydrophobicContact CE1-CG2 4.03Å; V70-K72 PolarHBondContact O-N 3.27Å; V70-F75 HydrophobicContact CG2-CD2 3.91Å; V70-F75 HydrophobicContact CG2-CE2 3.33Å; V70-F75 HydrophobicContact CG2-CZ 3.91Å; V70-H116 PolarHBondContact N-CD2 2.81Å; V70-H116 PolarHBondContact O-NE2 2.86Å
71S97.8Very high98.5Very high57 Ų5753.5 Ų53.540%0.39932%0.32SS..SBendtrans-65.7-37.3-169.5-50.10000113.7S80 H116 E120S71-S80 VanDerWaalsContact O-CB 3.24Å; S71-S80 WeakPolarHBondContact O-CB 3.49Å; S71-S80 PolarHBondContact O-OG 3.42Å; S71-H116 WeakPolarHBondContact CA-NE2 3.44Å; S71-H116 PolarHBondContact N-CE1 2.65Å; S71-H116 PolarHBondContact N-NE2 2.94Å; S71-H116 VanDerWaalsContact N-NE2 3.14Å; S71-H116 PolarHBondContact OG-CE1 2.76Å; S71-H116 VanDerWaalsContact OG-CE1 3.22Å; S71-E120 PolarHBondContact OG-OE1 3.19Å
72K97.8Very high98.5Very high185 Ų18553.6 Ų53.680%0.80433%0.327SS*.SBendtrans-164.2161-17959.2-173.8174.2-175.20111.5V70V70-K72 PolarHBondContact O-N 3.27Å
73G97.8Very high98.5Very high59 Ų5958.5 Ų58.561%0.60835%0.351SS*.SBendtrans156.8-168.2173.100000113.1F75G73-F75 PolarHBondContact O-N 2.99Å
74A98.3Very high98.5Very high101 Ų10158.5 Ų58.584%0.83535%0.351SS*.SBendtrans-7966.2177.500000111.5
75F98.3Very high98.5Very high84 Ų8464.7 Ų64.737%0.36837%0.374SS..  trans-121.166.8179.9-56.7-72.8000109.9Y68 V70 G73 G77 E78Y68-F75 HydrophobicContact CD1-CB 4.27Å; Y68-F75 HydrophobicContact CD1-CD1 4.09Å; Y68-F75 HydrophobicContact CD1-CD2 4.04Å; Y68-F75 HydrophobicContact CD1-CE1 4.49Å; Y68-F75 HydrophobicContact CD1-CE2 4.45Å; Y68-F75 AromaticContact CD1-CG 3.85Å; Y68-F75 HydrophobicContact CD1-CG 3.85Å; Y68-F75 HydrophobicContact CE1-CB 4.25Å; Y68-F75 AromaticContact CE1-CD1 3.27Å; Y68-F75 HydrophobicContact CE1-CD1 3.27Å; Y68-F75 AromaticContact CE1-CD2 3.87Å; Y68-F75 HydrophobicContact CE1-CD2 3.87Å; Y68-F75 AromaticContact CE1-CE1 3.43Å; Y68-F75 HydrophobicContact CE1-CE1 3.43Å; Y68-F75 VanDerWaalsContact CE1-CE1 3.43Å; Y68-F75 HydrophobicContact CE1-CE2 4.02Å; Y68-F75 AromaticContact CE1-CG 3.5Å; Y68-F75 HydrophobicContact CE1-CG 3.5Å; Y68-F75 AromaticContact CE1-CZ 3.81Å; Y68-F75 HydrophobicContact CE1-CZ 3.81Å; Y68-F75 AromaticContact CZ-CD1 3.71Å; Y68-F75 AromaticContact CZ-CE1 3.92Å; V70-F75 HydrophobicContact CG2-CD2 3.91Å; V70-F75 HydrophobicContact CG2-CE2 3.33Å; V70-F75 HydrophobicContact CG2-CZ 3.91Å; G73-F75 PolarHBondContact O-N 2.99Å; F75-G77 PolarHBondContact O-N 3.48Å; F75-E78 HydrophobicContact CB-CB 3.99Å; F75-E78 HydrophobicContact CB-CG 4.08Å; F75-E78 WeakPolarHBondContact O-CB 3.29Å; F75-E78 PolarHBondContact O-N 3.44Å
76T98.5Very high98.4Very high151 Ų15169.4 Ų69.493%0.92640%0.401SS*.THydrogen-bonded Turntrans-52.6124.3-175.9-59.80000111.6
77G98.1Very high98.3Very high72 Ų7270 Ų7074%0.74240%0.404SS*.THydrogen-bonded Turntrans92.2-13.4179.700000114.9F75F75-G77 PolarHBondContact O-N 3.48Å
78E98.7Very high98.3Very high65 Ų6572.1 Ų72.130%0.30443%0.426SS..  trans-83.3154.4177.8-69-63.2123.700112.5Y68 F75Y68-E78 HydrophobicContact CD2-CB 4.47Å; Y68-E78 HydrophobicContact CD2-CG 3.83Å; Y68-E78 WeakPolarHBondContact CD2-OE2 3.45Å; Y68-E78 HydrophobicContact CE2-CG 4.34Å; Y68-E78 HydrophobicContact CG-CB 4.14Å; Y68-E78 HydrophobicContact CG-CG 3.97Å; F75-E78 HydrophobicContact CB-CB 3.99Å; F75-E78 HydrophobicContact CB-CG 4.08Å; F75-E78 WeakPolarHBondContact O-CB 3.29Å; F75-E78 PolarHBondContact O-N 3.44Å
79I98.8Very high98.3Very high55 Ų5570 Ų7028%0.28242%0.418SS..  trans-113.9132.4176.6-56.1-61.2000108.7C67 Y68 M83 I84C67-I79 CarbonylContact C-O 3.58Å; C67-I79 VanDerWaalsContact CA-O 3.27Å; C67-I79 WeakPolarHBondContact CA-O 3.3Å; C67-I79 WeakPolarHBondContact CB-O 3.45Å; Y68-I79 PolarHBondContact N-O 2.99Å; I79-M83 HydrophobicContact CG2-CB 4.2Å; I79-M83 HydrophobicContact CG2-SD 4.47Å; I79-I84 HydrophobicContact CG2-CD1 4.1Å; I79-I84 HydrophobicContact CG2-CG1 3.75Å
80S98.7Very high98.2Very high8 Ų869.7 Ų69.76%0.05642%0.419CS..  trans-89.6154.1175.776.40000112.1S71 A82 M83 I84S71-S80 VanDerWaalsContact O-CB 3.24Å; S71-S80 WeakPolarHBondContact O-CB 3.49Å; S71-S80 PolarHBondContact O-OG 3.42Å; S80-A82 PolarHBondContact O-N 3.14Å; S80-M83 WeakPolarHBondContact O-CB 3.49Å; S80-M83 PolarHBondContact O-N 3.17Å; S80-M83 VanDerWaalsContact O-N 3.12Å; S80-M83 WeakPolarHBondContact OG-CG 3.2Å; S80-M83 PolarHBondContact OG-N 3.35Å; S80-I84 PolarHBondContact O-N 3.12Å
81P98.8Very high98.2Very high0 Ų067.3 Ų67.30%040%0.404CS..Hα-helixtrans-52.7-37.4171.5-29.636.9000114C67 M83 I84 R85 A117 E120 L122C67-P81 HydrophobicContact CB-CG 4.31Å; P81-M83 VanDerWaalsContact C-N 3.35Å; P81-M83 PolarHBondContact O-N 3.1Å; P81-I84 WeakPolarHBondContact O-CB 3.22Å; P81-I84 PolarHBondContact O-N 3.38Å; P81-R85 PolarHBondContact O-N 3.37Å; P81-R85 VanDerWaalsContact O-N 3.07Å; P81-A117 HydrophobicContact CG-CB 4.31Å; P81-E120 HydrophobicContact CB-CB 3.59Å; P81-E120 HydrophobicContact CB-CG 3.9Å; P81-E120 HydrophobicContact CG-CB 4.47Å; P81-E120 HydrophobicContact CG-CG 4.4Å; P81-L122 HydrophobicContact CB-CD1 3.7Å; P81-L122 HydrophobicContact CB-CG 4.33Å
82A98.2Very high98.3Very high40 Ų4064.6 Ų64.633%0.33139%0.385SS..Hα-helixtrans-62.6-40178.400000112.1S80 I84 R85 D86S80-A82 PolarHBondContact O-N 3.14Å; A82-I84 VanDerWaalsContact C-N 3.34Å; A82-I84 PolarHBondContact O-N 3.07Å; A82-R85 PolarHBondContact O-N 3.43Å; A82-D86 WeakPolarHBondContact O-CB 3.37Å; A82-D86 PolarHBondContact O-N 2.81Å
83M98.6Very high98.3Very high102 Ų10255.8 Ų55.850%0.50235%0.347SS..Hα-helixtrans-64-39175.7-66.9170.1-177.400112I79 S80 P81 R85 D86 I87I79-M83 HydrophobicContact CG2-CB 4.2Å; I79-M83 HydrophobicContact CG2-SD 4.47Å; S80-M83 WeakPolarHBondContact O-CB 3.49Å; S80-M83 PolarHBondContact O-N 3.17Å; S80-M83 VanDerWaalsContact O-N 3.12Å; S80-M83 WeakPolarHBondContact OG-CG 3.2Å; S80-M83 PolarHBondContact OG-N 3.35Å; P81-M83 VanDerWaalsContact C-N 3.35Å; P81-M83 PolarHBondContact O-N 3.1Å; M83-R85 VanDerWaalsContact C-N 3.34Å; M83-D86 PolarHBondContact O-N 3.04Å; M83-I87 PolarHBondContact O-N 2.77Å
84I98.7Very high98.4Very high1 Ų153 Ų531%0.00532%0.318CS..Hα-helixtrans-63.7-43.4178.2-63.6162.5000110.1A64 C67 I79 S80 P81 A82 I87 C89 V92 L122A64-I84 HydrophobicContact CB-CD1 3.39Å; A64-I84 HydrophobicContact CB-CG1 3.78Å; A64-I84 HydrophobicContact CB-CG2 4.17Å; C67-I84 HydrophobicContact CB-CD1 3.62Å; I79-I84 HydrophobicContact CG2-CD1 4.1Å; I79-I84 HydrophobicContact CG2-CG1 3.75Å; S80-I84 PolarHBondContact O-N 3.12Å; P81-I84 WeakPolarHBondContact O-CB 3.22Å; P81-I84 PolarHBondContact O-N 3.38Å; A82-I84 VanDerWaalsContact C-N 3.34Å; A82-I84 PolarHBondContact O-N 3.07Å; I84-I87 WeakPolarHBondContact O-CG1 3.5Å; I84-C89 HydrophobicContact CG2-CB 3.57Å; I84-C89 WeakPolarHBondContact O-CB 3.26Å; I84-C89 PolarHBondContact O-N 3.28Å; I84-C89 VanDerWaalsContact O-N 3.11Å; I84-V92 HydrophobicContact CD1-CG2 4.41Å; I84-L122 HydrophobicContact CB-CD1 4.16Å; I84-L122 HydrophobicContact CB-CD2 4.43Å; I84-L122 HydrophobicContact CD1-CD1 4.04Å; I84-L122 HydrophobicContact CG2-CD1 4.13Å; I84-L122 HydrophobicContact CG2-CD2 3.9Å
85R98.2Very high98.4Very high132 Ų13248.3 Ų48.350%0.49828%0.279SS..Hα-helixtrans-67.3-38.9176.6-75.9-17058.3-139-12.6113.6P81 A82 M83 I87 G88 C89 E120 L122P81-R85 PolarHBondContact O-N 3.37Å; P81-R85 VanDerWaalsContact O-N 3.07Å; A82-R85 PolarHBondContact O-N 3.43Å; M83-R85 VanDerWaalsContact C-N 3.34Å; R85-I87 PolarHBondContact O-N 2.85Å; R85-G88 WeakPolarHBondContact O-CA 3.36Å; R85-G88 PolarHBondContact O-N 3.27Å; R85-C89 WeakPolarHBondContact CA-O 3.37Å; R85-E120 WeakPolarHBondContact CD-O 3.46Å; R85-E120 PolarHBondContact NE-O 3.34Å; R85-E120 PolarHBondContact NH1-O 2.93Å; R85-L122 HydrophobicContact CG-CD2 3.44Å; R85-L122 VanDerWaalsContact CG-CD2 3.44Å; R85-L122 HydrophobicContact CG-CG 3.98Å
86D98.1Very high98.4Very high145 Ų14544.6 Ų44.678%0.77526%0.263SS*.Hα-helixtrans-58.3-37.1-178.6-173.159.1000111.8A82 M83 G88A82-D86 WeakPolarHBondContact O-CB 3.37Å; A82-D86 PolarHBondContact O-N 2.81Å; M83-D86 PolarHBondContact O-N 3.04Å; D86-G88 PolarHBondContact O-N 3.43Å
87I97.5Very high98.4Very high44 Ų4437.9 Ų37.923%0.22622%0.222CC..THydrogen-bonded Turntrans-83.98.117664.3172.5000114L49 H50 R53 M83 I84 R85 C89L49-I87 HydrophobicContact CB-CD1 3.54Å; L49-I87 HydrophobicContact CD1-CD1 4.31Å; H50-I87 HydrophobicContact CB-CB 4.21Å; H50-I87 HydrophobicContact CB-CD1 4.27Å; H50-I87 HydrophobicContact CB-CG2 4.19Å; R53-I87 WeakPolarHBondContact CG-O 3.43Å; M83-I87 PolarHBondContact O-N 2.77Å; I84-I87 WeakPolarHBondContact O-CG1 3.5Å; R85-I87 PolarHBondContact O-N 2.85Å; I87-C89 HydrophobicContact CG1-CB 4.48Å
88G97.4Very high98.3Very high46 Ų4637.2 Ų37.247%0.47420%0.2SC..THydrogen-bonded Turntrans82.511.3176.100000115.4R53 R85 D86R53-G88 VanDerWaalsContact CD-O 3.25Å; R53-G88 WeakPolarHBondContact CD-O 3.33Å; R85-G88 WeakPolarHBondContact O-CA 3.36Å; R85-G88 PolarHBondContact O-N 3.27Å; D86-G88 PolarHBondContact O-N 3.43Å
89C98.4Very high98.3Very high3 Ų336.5 Ų36.52%0.0219%0.194CC..  trans-86149.1172.3-60.50000110.2V62 I84 R85 I87V62-C89 WeakPolarHBondContact O-CB 3.29Å; I84-C89 HydrophobicContact CG2-CB 3.57Å; I84-C89 WeakPolarHBondContact O-CB 3.26Å; I84-C89 PolarHBondContact O-N 3.28Å; I84-C89 VanDerWaalsContact O-N 3.11Å; R85-C89 WeakPolarHBondContact CA-O 3.37Å; I87-C89 HydrophobicContact CG1-CB 4.48Å
90D97.6Very high98.3Very high57 Ų5735.2 Ų35.231%0.30519%0.186SC..  trans-129.6-1.9-167.755.6-13000114.1H61 S123H61-D90 IonicContact CE1-OD2 3.96Å; H61-D90 PolarHBondContact CE1-OD2 3.44Å; H61-D90 VanDerWaalsContact CE1-OD2 3.23Å; H61-D90 IonicContact CG-OD1 3.71Å; H61-D90 IonicContact CG-OD2 3.3Å; H61-D90 IonicContact ND1-OD1 3.31Å; H61-D90 PolarHBondContact ND1-OD1 3.48Å; H61-D90 IonicContact ND1-OD2 2.72Å; H61-D90 PolarHBondContact ND1-OD2 2.99Å; D90-S123 PolarHBondContact O-N 3.37Å
91W98.8Very high98.2Very high6 Ų639.3 Ų39.32%0.02321%0.207CC..EExtended strand (participates in β ladder)trans-128.2158.1178.9-75.687.1000113F8 E39 L41 H61 A63 A64 S123 I125 V165F8-W91 AromaticContact CE2-CH2 3.75Å; F8-W91 HydrophobicContact CE2-CH2 3.75Å; F8-W91 AromaticContact CE2-CZ2 3.84Å; F8-W91 HydrophobicContact CE2-CZ2 3.84Å; F8-W91 HydrophobicContact CE2-CZ3 4.2Å; F8-W91 HydrophobicContact CZ-CE3 4.38Å; F8-W91 HydrophobicContact CZ-CH2 4.17Å; F8-W91 HydrophobicContact CZ-CZ2 4.42Å; F8-W91 HydrophobicContact CZ-CZ3 4.14Å; E39-W91 VanDerWaalsContact OE1-CZ2 3.24Å; E39-W91 WeakPolarHBondContact OE1-CZ2 3.47Å; L41-W91 HydrophobicContact CD1-CB 3.4Å; L41-W91 HydrophobicContact CD1-CD2 3.95Å; L41-W91 HydrophobicContact CD1-CG 3.39Å; H61-W91 AromaticContact CD2-NE1 3.98Å; H61-W91 AromaticContact CE1-NE1 3.9Å; H61-W91 AromaticContact CG-CD1 3.68Å; H61-W91 AromaticContact CG-NE1 3.55Å; H61-W91 AromaticContact ND1-CD1 3.65Å; H61-W91 AromaticContact ND1-NE1 3.49Å; H61-W91 PolarHBondContact ND1-NE1 3.47Å; A63-W91 CarbonylContact C-O 3.6Å; A63-W91 WeakPolarHBondContact CA-O 3.49Å; A63-W91 HydrophobicContact CB-CB 3.57Å; A64-W91 PolarHBondContact N-O 2.91Å; W91-S123 CarbonylContact C-O 3.4Å; W91-S123 VanDerWaalsContact CA-O 3.3Å; W91-S123 WeakPolarHBondContact CA-O 3.26Å; W91-S123 VanDerWaalsContact CE2-CB 3.43Å; W91-I125 HydrophobicContact CE3-CD1 4.49Å; W91-I125 HydrophobicContact CE3-CG1 3.84Å; W91-I125 HydrophobicContact CZ3-CG1 4.02Å; W91-V165 HydrophobicContact CH2-CG2 3.65Å; W91-V165 HydrophobicContact CZ3-CB 4.3Å; W91-V165 HydrophobicContact CZ3-CG2 3.78Å
92V98.9Very high98.1Very high0 Ų045.2 Ų45.20%024%0.237CC..EExtended strand (participates in β ladder)trans-145139.5169.161.60000111.5A64 C67 I84 L94 A117 L122 S123 V124 I125A64-V92 HydrophobicContact CB-CB 4.43Å; A64-V92 HydrophobicContact CB-CG2 4.05Å; A64-V92 CarbonylContact O-C 3.4Å; A64-V92 WeakPolarHBondContact O-CA 3.19Å; C67-V92 HydrophobicContact CB-CG2 4.1Å; I84-V92 HydrophobicContact CD1-CG2 4.41Å; V92-L94 HydrophobicContact CG1-CD1 4.05Å; V92-L94 HydrophobicContact CG1-CG 4.06Å; V92-L94 HydrophobicContact CG2-CD2 4.02Å; V92-L94 HydrophobicContact CG2-CG 4.1Å; V92-A117 HydrophobicContact CG1-CB 3.86Å; V92-L122 HydrophobicContact CB-CD1 4.19Å; V92-L122 HydrophobicContact CG1-CB 4.42Å; V92-L122 HydrophobicContact CG1-CD1 3.92Å; V92-S123 PolarHBondContact N-O 3.45Å; V92-V124 HydrophobicContact CG1-CG2 4.07Å; V92-V124 WeakPolarHBondContact O-CA 3.25Å; V92-I125 PolarHBondContact O-N 2.86Å
93I99Very high98.1Very high1 Ų149.6 Ų49.61%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-85130.2168-58.8172000108.3N12 A43 A64 Q65 H96 I125 L234N12-I93 HydrophobicContact CB-CD1 3.97Å; A43-I93 HydrophobicContact CB-CD1 3.5Å; A43-I93 VanDerWaalsContact CB-CD1 3.5Å; A43-I93 HydrophobicContact CB-CG1 4.35Å; A64-I93 PolarHBondContact O-N 3Å; Q65-I93 CarbonylContact C-O 3.57Å; Q65-I93 VanDerWaalsContact O-O 3.1Å; I93-H96 HydrophobicContact CG2-CB 4.16Å; I93-I125 WeakPolarHBondContact CA-O 3.32Å; I93-I125 HydrophobicContact CG1-CB 4.22Å; I93-I125 HydrophobicContact CG1-CD1 4.03Å; I93-L234 HydrophobicContact CD1-CD1 4.14Å
94L99Very high98.1Very high1 Ų147.6 Ų47.61%0.00526%0.255CS..EExtended strand (participates in β ladder)trans-133.4139.7-179.9-69.6178000111.8V92 H96 K113 V114 A117 V124 I125 C127V92-L94 HydrophobicContact CG1-CD1 4.05Å; V92-L94 HydrophobicContact CG1-CG 4.06Å; V92-L94 HydrophobicContact CG2-CD2 4.02Å; V92-L94 HydrophobicContact CG2-CG 4.1Å; L94-H96 VanDerWaalsContact C-N 3.31Å; L94-H96 PolarHBondContact O-N 2.75Å; L94-K113 HydrophobicContact CD1-CB 3.89Å; L94-K113 HydrophobicContact CD2-CB 3.98Å; L94-K113 HydrophobicContact CD2-CD 4.12Å; L94-V114 HydrophobicContact CB-CG2 4.25Å; L94-V114 HydrophobicContact CD1-CB 4.43Å; L94-V114 HydrophobicContact CD1-CG2 3.95Å; L94-A117 HydrophobicContact CD1-CB 4.08Å; L94-V124 HydrophobicContact CB-CG1 4.17Å; L94-V124 HydrophobicContact CD1-CG1 3.92Å; L94-V124 HydrophobicContact CD1-CG2 4.29Å; L94-V124 HydrophobicContact CG-CG1 4.28Å; L94-I125 PolarHBondContact N-O 2.85Å; L94-C127 PolarHBondContact O-N 3.34Å
95G98.8Very high98.1Very high1 Ų147.9 Ų47.91%0.0126%0.256CS..SBendtrans70.923.5179.700000114.6R100 C127G95-R100 WeakPolarHBondContact O-CD 3.49Å; G95-R100 PolarHBondContact O-NE 2.79Å; G95-C127 WeakPolarHBondContact O-CB 3.32Å
96H98.7Very high98.1Very high7 Ų744.7 Ų44.73%0.03225%0.254CS..  trans-52.5145.3173.6-173.9-99.7000110.6N12 I93 L94 E98 R99 R100 E169N12-H96 PolarHBondContact ND2-NE2 3.22Å; I93-H96 HydrophobicContact CG2-CB 4.16Å; L94-H96 VanDerWaalsContact C-N 3.31Å; L94-H96 PolarHBondContact O-N 2.75Å; H96-E98 IonicContact CE1-OE1 3.11Å; H96-E98 IonicContact CE1-OE2 3.67Å; H96-E98 PolarHBondContact CE1-OE2 2.81Å; H96-E98 PolarHBondContact ND1-N 2.83Å; H96-E98 IonicContact ND1-OE2 2.67Å; H96-E98 PolarHBondContact ND1-OE2 3.19Å; H96-E98 PolarHBondContact O-N 3.32Å; H96-E98 VanDerWaalsContact O-N 3.1Å; H96-R99 HydrophobicContact CB-CG 4.45Å; H96-R99 WeakPolarHBondContact O-CA 3.4Å; H96-R99 VanDerWaalsContact O-CB 3.32Å; H96-R99 WeakPolarHBondContact O-CB 3.36Å; H96-R99 PolarHBondContact O-N 2.94Å; H96-R100 PolarHBondContact O-N 2.91Å; H96-R100 VanDerWaalsContact O-N 3.13Å; H96-E169 IonicContact CD2-OE1 2.71Å; H96-E169 IonicContact CD2-OE2 3.94Å; H96-E169 PolarHBondContact CD2-OE2 3.37Å; H96-E169 IonicContact NE2-OE1 3.82Å; H96-E169 IonicContact NE2-OE2 3.83Å
97S97.1Very high98.1Very high10 Ų1038.9 Ų38.97%0.0722%0.223CC..Hα-helixtrans-52.9-37.2-17562.40000113.5R100 N101 I174S97-R100 PolarHBondContact O-N 2.78Å; S97-N101 WeakPolarHBondContact O-CB 3.38Å; S97-N101 PolarHBondContact O-N 3.32Å; S97-N101 PolarHBondContact O-ND2 3.19Å; S97-I174 WeakPolarHBondContact OG-CD1 3.36Å
98E97.5Very high98.2Very high58 Ų5841.4 Ų41.427%0.27123%0.234SC..Hα-helixtrans-65.2-38.1176.3-70.2158.2-175.100111.8K14 H96 I102 F103K14-E98 WeakPolarHBondContact CD-OE1 3.4Å; K14-E98 VanDerWaalsContact CE-OE1 3.29Å; K14-E98 WeakPolarHBondContact CE-OE1 3.23Å; K14-E98 IonicContact NZ-OE1 3.69Å; K14-E98 PolarHBondContact NZ-OE1 3.25Å; H96-E98 IonicContact CE1-OE1 3.11Å; H96-E98 IonicContact CE1-OE2 3.67Å; H96-E98 PolarHBondContact CE1-OE2 2.81Å; H96-E98 PolarHBondContact ND1-N 2.83Å; H96-E98 IonicContact ND1-OE2 2.67Å; H96-E98 PolarHBondContact ND1-OE2 3.19Å; H96-E98 PolarHBondContact O-N 3.32Å; H96-E98 VanDerWaalsContact O-N 3.1Å; E98-I102 HydrophobicContact CB-CD1 4.04Å; E98-I102 HydrophobicContact CG-CD1 4.03Å; E98-I102 WeakPolarHBondContact O-CA 3.42Å; E98-I102 WeakPolarHBondContact O-CB 3.22Å; E98-I102 PolarHBondContact O-N 3.42Å; E98-F103 WeakPolarHBondContact O-CD2 3.09Å; E98-F103 PolarHBondContact O-N 3.15Å
99R98.7Very high98.3Very high50 Ų5041 Ų4119%0.18922%0.22CC..Hα-helixtrans-64.2-41174.3-66.4-60.5-53.5154.22.4111.5N66 H96 F103 G104 E105N66-R99 PolarHBondContact ND2-NE 3.41Å; H96-R99 HydrophobicContact CB-CG 4.45Å; H96-R99 WeakPolarHBondContact O-CA 3.4Å; H96-R99 VanDerWaalsContact O-CB 3.32Å; H96-R99 WeakPolarHBondContact O-CB 3.36Å; H96-R99 PolarHBondContact O-N 2.94Å; R99-F103 VanDerWaalsContact NH1-CD1 3.34Å; R99-F103 CarbonylContact O-C 3.42Å; R99-F103 WeakPolarHBondContact O-CB 3.17Å; R99-F103 PolarHBondContact O-N 3.27Å; R99-G104 PolarHBondContact O-N 2.87Å; R99-G104 VanDerWaalsContact O-N 3.14Å; R99-E105 HydrophobicContact CB-CB 4.37Å; R99-E105 HydrophobicContact CB-CG 4.05Å; R99-E105 IonicContact CZ-OE1 2.67Å; R99-E105 IonicContact NE-OE1 2.76Å; R99-E105 PolarHBondContact NE-OE1 2.74Å; R99-E105 IonicContact NH2-OE1 2.65Å; R99-E105 PolarHBondContact NH2-OE1 2.79Å; R99-E105 PolarHBondContact O-N 2.96Å
100R98.4Very high98.3Very high27 Ų2740.8 Ų40.810%0.10222%0.219CC..Hα-helixtrans-67.8-51.1177.8-66.3175179.9-85.98.3112.1G95 H96 S97 G104 D107 I110 C127G95-R100 WeakPolarHBondContact O-CD 3.49Å; G95-R100 PolarHBondContact O-NE 2.79Å; H96-R100 PolarHBondContact O-N 2.91Å; H96-R100 VanDerWaalsContact O-N 3.13Å; S97-R100 PolarHBondContact O-N 2.78Å; R100-G104 VanDerWaalsContact O-CA 3.31Å; R100-G104 WeakPolarHBondContact O-CA 3.32Å; R100-G104 PolarHBondContact O-N 3.37Å; R100-D107 IonicContact CZ-OD1 3.61Å; R100-D107 IonicContact NH1-OD1 2.61Å; R100-D107 PolarHBondContact NH1-OD1 2.87Å; R100-I110 HydrophobicContact CG-CD1 3.63Å; R100-I110 VanDerWaalsContact NH1-CD1 3.27Å; R100-C127 PolarHBondContact NH2-O 3.39Å
101N95.4Very high98.4Very high94 Ų9438.1 Ų38.150%0.50321%0.205SC..Hα-helixtrans-92.4-28.8-166-62.9-51.3000114.1S97S97-N101 WeakPolarHBondContact O-CB 3.38Å; S97-N101 PolarHBondContact O-N 3.32Å; S97-N101 PolarHBondContact O-ND2 3.19Å
102I97.1Very high98.4Very high124 Ų12440.2 Ų40.264%0.63622%0.215SC*.THydrogen-bonded Turntrans-97.4-44.2-179.9-52.9176.6000110.2E98E98-I102 HydrophobicContact CB-CD1 4.04Å; E98-I102 HydrophobicContact CG-CD1 4.03Å; E98-I102 WeakPolarHBondContact O-CA 3.42Å; E98-I102 WeakPolarHBondContact O-CB 3.22Å; E98-I102 PolarHBondContact O-N 3.42Å
103F98.5Very high98.4Very high132 Ų13240.2 Ų40.258%0.57922%0.215SC*.SBendtrans-100.3-0.2-175.1-60.3-83.3000114.1E98 R99 E105E98-F103 WeakPolarHBondContact O-CD2 3.09Å; E98-F103 PolarHBondContact O-N 3.15Å; R99-F103 VanDerWaalsContact NH1-CD1 3.34Å; R99-F103 CarbonylContact O-C 3.42Å; R99-F103 WeakPolarHBondContact O-CB 3.17Å; R99-F103 PolarHBondContact O-N 3.27Å; F103-E105 PolarHBondContact O-N 3.11Å
104G98.1Very high98.4Very high60 Ų6040.2 Ų40.262%0.61922%0.215SC*.  trans70.526.7172.500000115.2R99 R100 S106R99-G104 PolarHBondContact O-N 2.87Å; R99-G104 VanDerWaalsContact O-N 3.14Å; R100-G104 VanDerWaalsContact O-CA 3.31Å; R100-G104 WeakPolarHBondContact O-CA 3.32Å; R100-G104 PolarHBondContact O-N 3.37Å; G104-S106 PolarHBondContact O-N 3.41Å
105E98.8Very high98.3Very high8 Ų843.4 Ų43.44%0.03723%0.23CC..  trans-67.1118174.9-68.1-162.2177.600111.6N66 R99 F103 L109 I110 K113N66-E105 PolarHBondContact ND2-OE1 2.73Å; R99-E105 HydrophobicContact CB-CB 4.37Å; R99-E105 HydrophobicContact CB-CG 4.05Å; R99-E105 IonicContact CZ-OE1 2.67Å; R99-E105 IonicContact NE-OE1 2.76Å; R99-E105 PolarHBondContact NE-OE1 2.74Å; R99-E105 IonicContact NH2-OE1 2.65Å; R99-E105 PolarHBondContact NH2-OE1 2.79Å; R99-E105 PolarHBondContact O-N 2.96Å; F103-E105 PolarHBondContact O-N 3.11Å; E105-L109 HydrophobicContact CB-CD2 4.32Å; E105-L109 HydrophobicContact CG-CD2 4.01Å; E105-I110 HydrophobicContact CB-CD1 3.92Å; E105-I110 HydrophobicContact CB-CG1 4.01Å; E105-K113 IonicContact OE1-NZ 2.65Å; E105-K113 PolarHBondContact OE1-NZ 2.95Å; E105-K113 IonicContact OE2-NZ 3.68Å
106S98.7Very high98.3Very high64 Ų6444.5 Ų44.545%0.44824%0.235SC..  trans-77.3161.8177.769.20000112.4G104 E108 L109 I110G104-S106 PolarHBondContact O-N 3.41Å; S106-E108 VanDerWaalsContact C-N 3.26Å; S106-E108 PolarHBondContact O-N 2.87Å; S106-L109 PolarHBondContact O-N 2.85Å; S106-L109 PolarHBondContact OG-N 3.16Å; S106-I110 WeakPolarHBondContact O-CD1 3.31Å; S106-I110 WeakPolarHBondContact O-CG1 3.18Å; S106-I110 PolarHBondContact O-N 3.11Å
107D98.8Very high98.3Very high24 Ų2444.2 Ų44.213%0.12823%0.233CC..Hα-helixtrans-56-41173.9-71.5-16.2000112.6R100 I110 A111 R146 A150R100-D107 IonicContact CZ-OD1 3.61Å; R100-D107 IonicContact NH1-OD1 2.61Å; R100-D107 PolarHBondContact NH1-OD1 2.87Å; D107-I110 PolarHBondContact O-N 3.35Å; D107-A111 VanDerWaalsContact O-CB 3.27Å; D107-A111 WeakPolarHBondContact O-CB 3.5Å; D107-A111 PolarHBondContact O-N 3.24Å; D107-R146 IonicContact OD1-NH1 3.45Å; D107-R146 WeakPolarHBondContact OD2-CG 3.38Å; D107-R146 IonicContact OD2-CZ 3.83Å; D107-R146 IonicContact OD2-NE 3.84Å; D107-R146 IonicContact OD2-NH1 3.04Å; D107-R146 PolarHBondContact OD2-NH1 3.41Å; D107-A150 HydrophobicContact CB-CB 3.74Å
108E98.7Very high98.4Very high97 Ų9743.9 Ų43.945%0.45323%0.23SC..Hα-helixtrans-63.9-46.6178.8-17462.9-155.800110.8S106 I110 A111 E112 K154S106-E108 VanDerWaalsContact C-N 3.26Å; S106-E108 PolarHBondContact O-N 2.87Å; E108-I110 VanDerWaalsContact C-N 3.32Å; E108-I110 PolarHBondContact O-N 2.89Å; E108-A111 PolarHBondContact O-N 3.49Å; E108-E112 VanDerWaalsContact O-CG 3.3Å; E108-E112 WeakPolarHBondContact O-CG 3.24Å; E108-E112 PolarHBondContact O-N 3.37Å; E108-K154 WeakPolarHBondContact OE1-CE 3.34Å; E108-K154 IonicContact OE1-NZ 3.84Å; E108-K154 PolarHBondContact OE1-NZ 2.97Å
109L98.9Very high98.4Very high36 Ų3644.7 Ų44.719%0.18825%0.247CC..Hα-helixtrans-61.3-43178.4175.858.6000111.5K69 E105 S106 A111 E112 K113K69-L109 HydrophobicContact CB-CD1 4.5Å; K69-L109 HydrophobicContact CD-CD1 3.78Å; K69-L109 HydrophobicContact CG-CD1 4.17Å; E105-L109 HydrophobicContact CB-CD2 4.32Å; E105-L109 HydrophobicContact CG-CD2 4.01Å; S106-L109 PolarHBondContact O-N 2.85Å; S106-L109 PolarHBondContact OG-N 3.16Å; L109-A111 VanDerWaalsContact C-N 3.34Å; L109-E112 WeakPolarHBondContact CA-OE2 3.27Å; L109-E112 PolarHBondContact O-N 2.92Å; L109-K113 HydrophobicContact CD1-CG 4.42Å; L109-K113 HydrophobicContact CG-CD 4.4Å; L109-K113 VanDerWaalsContact O-CG 3.31Å; L109-K113 WeakPolarHBondContact O-CG 3.48Å; L109-K113 PolarHBondContact O-N 2.89Å
110I98.9Very high98.4Very high0 Ų044.8 Ų44.80%025%0.25CC..Hα-helixtrans-65.4-41.6178.9-69160.5000110.4R100 E105 S106 D107 E108 K113 V114 I151R100-I110 HydrophobicContact CG-CD1 3.63Å; R100-I110 VanDerWaalsContact NH1-CD1 3.27Å; E105-I110 HydrophobicContact CB-CD1 3.92Å; E105-I110 HydrophobicContact CB-CG1 4.01Å; S106-I110 WeakPolarHBondContact O-CD1 3.31Å; S106-I110 WeakPolarHBondContact O-CG1 3.18Å; S106-I110 PolarHBondContact O-N 3.11Å; D107-I110 PolarHBondContact O-N 3.35Å; E108-I110 VanDerWaalsContact C-N 3.32Å; E108-I110 PolarHBondContact O-N 2.89Å; I110-K113 WeakPolarHBondContact O-CB 3.46Å; I110-K113 PolarHBondContact O-N 3.39Å; I110-V114 HydrophobicContact CG2-CG2 4.41Å; I110-V114 WeakPolarHBondContact O-CG2 3.15Å; I110-V114 PolarHBondContact O-N 3.35Å; I110-I151 HydrophobicContact CG2-CD1 4.11Å; I110-I151 HydrophobicContact CG2-CG1 4.32Å
111A98.9Very high98.3Very high0 Ų045.3 Ų45.30%026%0.264CS..Hα-helixtrans-63.3-41.5176.100000112D107 E108 L109 V114 Q115 A150 K154D107-A111 VanDerWaalsContact O-CB 3.27Å; D107-A111 WeakPolarHBondContact O-CB 3.5Å; D107-A111 PolarHBondContact O-N 3.24Å; E108-A111 PolarHBondContact O-N 3.49Å; L109-A111 VanDerWaalsContact C-N 3.34Å; A111-V114 PolarHBondContact O-N 2.89Å; A111-Q115 WeakPolarHBondContact O-CB 3.45Å; A111-Q115 PolarHBondContact O-N 3.23Å; A111-A150 HydrophobicContact CB-CB 4.33Å; A111-A150 VanDerWaalsContact CB-O 3.24Å; A111-A150 WeakPolarHBondContact CB-O 3.3Å; A111-K154 HydrophobicContact CB-CG 3.71Å
112E98.9Very high98.5Very high50 Ų5040.9 Ų40.923%0.23424%0.24CC..Hα-helixtrans-61.3-41.9172.8-68.3172.3121.600111.9K69 E108 L109 Q115 H116K69-E112 HydrophobicContact CB-CB 3.93Å; K69-E112 HydrophobicContact CD-CB 3.81Å; K69-E112 HydrophobicContact CD-CG 4.28Å; K69-E112 WeakPolarHBondContact CD-OE2 3.17Å; K69-E112 WeakPolarHBondContact CE-OE2 3.37Å; K69-E112 IonicContact NZ-OE1 3.8Å; K69-E112 PolarHBondContact NZ-OE1 2.85Å; K69-E112 IonicContact NZ-OE2 3.86Å; K69-E112 PolarHBondContact NZ-OE2 2.67Å; E108-E112 VanDerWaalsContact O-CG 3.3Å; E108-E112 WeakPolarHBondContact O-CG 3.24Å; E108-E112 PolarHBondContact O-N 3.37Å; L109-E112 WeakPolarHBondContact CA-OE2 3.27Å; L109-E112 PolarHBondContact O-N 2.92Å; E112-Q115 PolarHBondContact O-N 3.01Å; E112-H116 WeakPolarHBondContact O-CB 3.29Å; E112-H116 PolarHBondContact O-N 3.11Å
113K98.9Very high98.6Very high1 Ų136 Ų360%0.00422%0.217CC..Hα-helixtrans-63.5-44.7175.5-71.9175.1170.4-149.20112.2N66 C67 K69 L94 E105 L109 I110 Q115 H116 A117N66-K113 PolarHBondContact ND2-NZ 3.02Å; N66-K113 PolarHBondContact OD1-NZ 3.23Å; C67-K113 WeakPolarHBondContact O-CD 3.3Å; C67-K113 WeakPolarHBondContact O-CE 3.38Å; C67-K113 PolarHBondContact O-NZ 3.24Å; K69-K113 HydrophobicContact CB-CG 3.96Å; L94-K113 HydrophobicContact CD1-CB 3.89Å; L94-K113 HydrophobicContact CD2-CB 3.98Å; L94-K113 HydrophobicContact CD2-CD 4.12Å; E105-K113 IonicContact OE1-NZ 2.65Å; E105-K113 PolarHBondContact OE1-NZ 2.95Å; E105-K113 IonicContact OE2-NZ 3.68Å; L109-K113 HydrophobicContact CD1-CG 4.42Å; L109-K113 HydrophobicContact CG-CD 4.4Å; L109-K113 VanDerWaalsContact O-CG 3.31Å; L109-K113 WeakPolarHBondContact O-CG 3.48Å; L109-K113 PolarHBondContact O-N 2.89Å; I110-K113 WeakPolarHBondContact O-CB 3.46Å; I110-K113 PolarHBondContact O-N 3.39Å; K113-Q115 VanDerWaalsContact C-N 3.33Å; K113-Q115 PolarHBondContact O-N 3.28Å; K113-H116 PolarHBondContact O-N 2.94Å; K113-A117 WeakPolarHBondContact O-CB 3.22Å; K113-A117 PolarHBondContact O-N 3.48Å
114V98.9Very high98.6Very high0 Ų029.7 Ų29.70%019%0.189CC..Hα-helixtrans-59.7-47.2177.5172.90000109.8L94 I110 A111 H116 A117 L118 V124 I151 I155L94-V114 HydrophobicContact CB-CG2 4.25Å; L94-V114 HydrophobicContact CD1-CB 4.43Å; L94-V114 HydrophobicContact CD1-CG2 3.95Å; I110-V114 HydrophobicContact CG2-CG2 4.41Å; I110-V114 WeakPolarHBondContact O-CG2 3.15Å; I110-V114 PolarHBondContact O-N 3.35Å; A111-V114 PolarHBondContact O-N 2.89Å; V114-H116 VanDerWaalsContact C-N 3.33Å; V114-H116 PolarHBondContact O-N 2.89Å; V114-A117 PolarHBondContact O-N 3.19Å; V114-L118 HydrophobicContact CG1-CD1 3.78Å; V114-L118 HydrophobicContact CG1-CG 4.37Å; V114-L118 WeakPolarHBondContact O-CB 3.45Å; V114-L118 VanDerWaalsContact O-CG 3.28Å; V114-L118 WeakPolarHBondContact O-CG 3.5Å; V114-L118 PolarHBondContact O-N 3.2Å; V114-V124 HydrophobicContact CG1-CG1 4.37Å; V114-V124 HydrophobicContact CG2-CG1 4.12Å; V114-I151 HydrophobicContact CB-CG2 4.23Å; V114-I151 HydrophobicContact CG1-CG2 3.86Å; V114-I151 HydrophobicContact CG2-CG1 4.44Å; V114-I151 HydrophobicContact CG2-CG2 4.01Å; V114-I155 HydrophobicContact CG1-CD1 4.26Å; V114-I155 HydrophobicContact CG1-CG1 4.35Å
115Q98.7Very high98.6Very high69 Ų6926.8 Ų26.832%0.32216%0.16SC..Hα-helixtrans-56.6-48.7176.8-171175.859.800111.8A111 E112 K113 L118 A119 K154A111-Q115 WeakPolarHBondContact O-CB 3.45Å; A111-Q115 PolarHBondContact O-N 3.23Å; E112-Q115 PolarHBondContact O-N 3.01Å; K113-Q115 VanDerWaalsContact C-N 3.33Å; K113-Q115 PolarHBondContact O-N 3.28Å; Q115-L118 PolarHBondContact O-N 3.05Å; Q115-A119 WeakPolarHBondContact O-CB 3.39Å; Q115-A119 PolarHBondContact O-N 3.04Å; Q115-K154 HydrophobicContact CB-CB 3.97Å; Q115-K154 HydrophobicContact CG-CB 4.36Å
116H98.7Very high98.6Very high24 Ų2426.5 Ų26.511%0.11116%0.158CC..Hα-helixtrans-68.4-43.4-176.3-172.747.1000112.1Y68 K69 V70 S71 E112 K113 V114 L118 A119 E120Y68-H116 PolarHBondContact O-CD2 3.39Å; K69-H116 WeakPolarHBondContact O-CB 3.48Å; V70-H116 PolarHBondContact N-CD2 2.81Å; V70-H116 PolarHBondContact O-NE2 2.86Å; S71-H116 WeakPolarHBondContact CA-NE2 3.44Å; S71-H116 PolarHBondContact N-CE1 2.65Å; S71-H116 PolarHBondContact N-NE2 2.94Å; S71-H116 VanDerWaalsContact N-NE2 3.14Å; S71-H116 PolarHBondContact OG-CE1 2.76Å; S71-H116 VanDerWaalsContact OG-CE1 3.22Å; E112-H116 WeakPolarHBondContact O-CB 3.29Å; E112-H116 PolarHBondContact O-N 3.11Å; K113-H116 PolarHBondContact O-N 2.94Å; V114-H116 VanDerWaalsContact C-N 3.33Å; V114-H116 PolarHBondContact O-N 2.89Å; H116-L118 VanDerWaalsContact C-N 3.34Å; H116-L118 PolarHBondContact O-N 2.9Å; H116-A119 PolarHBondContact O-N 3.16Å; H116-E120 VanDerWaalsContact CE1-CG 3.43Å; H116-E120 WeakPolarHBondContact CE1-CG 3.48Å; H116-E120 IonicContact CE1-OE1 3.65Å; H116-E120 PolarHBondContact CE1-OE1 3.42Å; H116-E120 VanDerWaalsContact CE1-OE1 3.31Å; H116-E120 IonicContact NE2-OE1 3.57Å; H116-E120 WeakPolarHBondContact O-CB 3.41Å; H116-E120 WeakPolarHBondContact O-CG 3.45Å; H116-E120 PolarHBondContact O-N 3.22Å
117A98.8Very high98.6Very high0 Ų023.5 Ų23.50%014%0.138CC..Hα-helixtrans-58.8-45.5175.500000111.7P81 V92 L94 K113 V114 E120 G121 L122 V124P81-A117 HydrophobicContact CG-CB 4.31Å; V92-A117 HydrophobicContact CG1-CB 3.86Å; L94-A117 HydrophobicContact CD1-CB 4.08Å; K113-A117 WeakPolarHBondContact O-CB 3.22Å; K113-A117 PolarHBondContact O-N 3.48Å; V114-A117 PolarHBondContact O-N 3.19Å; A117-E120 PolarHBondContact O-N 3.31Å; A117-G121 PolarHBondContact O-N 2.91Å; A117-L122 HydrophobicContact CB-CB 4.31Å; A117-L122 HydrophobicContact CB-CD1 4.42Å; A117-L122 WeakPolarHBondContact O-CB 3.17Å; A117-L122 PolarHBondContact O-N 3.11Å; A117-V124 HydrophobicContact CB-CG2 3.79Å
118L98.5Very high98.6Very high3 Ų322.5 Ų22.52%0.01613%0.132CC..Hα-helixtrans-64.6-41.2176.7-70.4171.8000112V114 Q115 H116 E120 G121 V124 I155 E160 R163 V164V114-L118 HydrophobicContact CG1-CD1 3.78Å; V114-L118 HydrophobicContact CG1-CG 4.37Å; V114-L118 WeakPolarHBondContact O-CB 3.45Å; V114-L118 VanDerWaalsContact O-CG 3.28Å; V114-L118 WeakPolarHBondContact O-CG 3.5Å; V114-L118 PolarHBondContact O-N 3.2Å; Q115-L118 PolarHBondContact O-N 3.05Å; H116-L118 VanDerWaalsContact C-N 3.34Å; H116-L118 PolarHBondContact O-N 2.9Å; L118-E120 VanDerWaalsContact C-N 3.3Å; L118-E120 PolarHBondContact O-N 2.93Å; L118-G121 PolarHBondContact O-N 3.22Å; L118-G121 VanDerWaalsContact O-N 3.11Å; L118-V124 HydrophobicContact CD2-CG2 4.08Å; L118-V124 HydrophobicContact CG-CG2 4.07Å; L118-I155 HydrophobicContact CD1-CD1 4.29Å; L118-I155 HydrophobicContact CD1-CG1 3.85Å; L118-E160 HydrophobicContact CD1-CB 4.49Å; L118-R163 HydrophobicContact CD2-CB 3.86Å; L118-R163 VanDerWaalsContact O-CZ 3.3Å; L118-R163 PolarHBondContact O-NH1 3.1Å; L118-R163 PolarHBondContact O-NH2 3.14Å; L118-V164 HydrophobicContact CD1-CG2 3.92Å; L118-V164 HydrophobicContact CD2-CG2 3.96Å
119A97.6Very high98.6Very high76 Ų7618.2 Ų18.263%0.62811%0.114SC*.Hα-helixtrans-64.5-3517800000112.5Q115 H116 G121Q115-A119 WeakPolarHBondContact O-CB 3.39Å; Q115-A119 PolarHBondContact O-N 3.04Å; H116-A119 PolarHBondContact O-N 3.16Å; A119-G121 PolarHBondContact O-N 2.78Å
120E97.6Very high98.5Very high51 Ų5116.5 Ų16.524%0.23811%0.105CC..THydrogen-bonded Turntrans-80.6-0.4176.3-68.5-73.8173.500112.7S71 P81 R85 H116 A117 L118S71-E120 PolarHBondContact OG-OE1 3.19Å; P81-E120 HydrophobicContact CB-CB 3.59Å; P81-E120 HydrophobicContact CB-CG 3.9Å; P81-E120 HydrophobicContact CG-CB 4.47Å; P81-E120 HydrophobicContact CG-CG 4.4Å; R85-E120 WeakPolarHBondContact CD-O 3.46Å; R85-E120 PolarHBondContact NE-O 3.34Å; R85-E120 PolarHBondContact NH1-O 2.93Å; H116-E120 VanDerWaalsContact CE1-CG 3.43Å; H116-E120 WeakPolarHBondContact CE1-CG 3.48Å; H116-E120 IonicContact CE1-OE1 3.65Å; H116-E120 PolarHBondContact CE1-OE1 3.42Å; H116-E120 VanDerWaalsContact CE1-OE1 3.31Å; H116-E120 IonicContact NE2-OE1 3.57Å; H116-E120 WeakPolarHBondContact O-CB 3.41Å; H116-E120 WeakPolarHBondContact O-CG 3.45Å; H116-E120 PolarHBondContact O-N 3.22Å; A117-E120 PolarHBondContact O-N 3.31Å; L118-E120 VanDerWaalsContact C-N 3.3Å; L118-E120 PolarHBondContact O-N 2.93Å
121G97.3Very high98.4Very high39 Ų3918.4 Ų18.440%0.40212%0.116SC..THydrogen-bonded Turntrans90.110.3173.600000115.5A117 L118 A119A117-G121 PolarHBondContact O-N 2.91Å; L118-G121 PolarHBondContact O-N 3.22Å; L118-G121 VanDerWaalsContact O-N 3.11Å; A119-G121 PolarHBondContact O-N 2.78Å
122L98.6Very high98.1Very high0 Ų022.1 Ų22.10%014%0.136CC..  trans-76.3155.2168.7-68.7179.4000111.2P81 I84 R85 V92 A117 R163P81-L122 HydrophobicContact CB-CD1 3.7Å; P81-L122 HydrophobicContact CB-CG 4.33Å; I84-L122 HydrophobicContact CB-CD1 4.16Å; I84-L122 HydrophobicContact CB-CD2 4.43Å; I84-L122 HydrophobicContact CD1-CD1 4.04Å; I84-L122 HydrophobicContact CG2-CD1 4.13Å; I84-L122 HydrophobicContact CG2-CD2 3.9Å; R85-L122 HydrophobicContact CG-CD2 3.44Å; R85-L122 VanDerWaalsContact CG-CD2 3.44Å; R85-L122 HydrophobicContact CG-CG 3.98Å; V92-L122 HydrophobicContact CB-CD1 4.19Å; V92-L122 HydrophobicContact CG1-CB 4.42Å; V92-L122 HydrophobicContact CG1-CD1 3.92Å; A117-L122 HydrophobicContact CB-CB 4.31Å; A117-L122 HydrophobicContact CB-CD1 4.42Å; A117-L122 WeakPolarHBondContact O-CB 3.17Å; A117-L122 PolarHBondContact O-N 3.11Å; L122-R163 PolarHBondContact O-NH1 2.89Å
123S98.8Very high97.9Very high21 Ų2123.5 Ų23.515%0.14715%0.151CC..EExtended strand (participates in β ladder)trans-90.5154.5159.7-62.70000110.4D90 W91 V92 R163D90-S123 PolarHBondContact O-N 3.37Å; W91-S123 CarbonylContact C-O 3.4Å; W91-S123 VanDerWaalsContact CA-O 3.3Å; W91-S123 WeakPolarHBondContact CA-O 3.26Å; W91-S123 VanDerWaalsContact CE2-CB 3.43Å; V92-S123 PolarHBondContact N-O 3.45Å; S123-R163 CarbonylContact C-O 3.58Å; S123-R163 VanDerWaalsContact CA-O 3.24Å; S123-R163 WeakPolarHBondContact CA-O 3.16Å; S123-R163 WeakPolarHBondContact CB-O 3.31Å
124V98.9Very high97.9Very high0 Ų025.7 Ų25.70%016%0.162CC..EExtended strand (participates in β ladder)trans-128.4131.7-169.3178.20000111.2V92 L94 V114 A117 L118 A126 R163 V164 V165V92-V124 HydrophobicContact CG1-CG2 4.07Å; V92-V124 WeakPolarHBondContact O-CA 3.25Å; L94-V124 HydrophobicContact CB-CG1 4.17Å; L94-V124 HydrophobicContact CD1-CG1 3.92Å; L94-V124 HydrophobicContact CD1-CG2 4.29Å; L94-V124 HydrophobicContact CG-CG1 4.28Å; V114-V124 HydrophobicContact CG1-CG1 4.37Å; V114-V124 HydrophobicContact CG2-CG1 4.12Å; A117-V124 HydrophobicContact CB-CG2 3.79Å; L118-V124 HydrophobicContact CD2-CG2 4.08Å; L118-V124 HydrophobicContact CG-CG2 4.07Å; V124-A126 HydrophobicContact CG1-CB 4.27Å; V124-R163 PolarHBondContact N-O 2.77Å; V124-V164 CarbonylContact O-C 3.5Å; V124-V164 WeakPolarHBondContact O-CA 3.49Å; V124-V165 PolarHBondContact O-N 2.84Å
125I98.9Very high97.7Very high0 Ų028.1 Ų28.10%017%0.171CC..EExtended strand (participates in β ladder)trans-96.4103.5160.9-55.7169.9000107F8 L41 W91 V92 I93 L94 V165 A167 I211 L234F8-I125 HydrophobicContact CE1-CD1 3.77Å; F8-I125 HydrophobicContact CE1-CG1 4.19Å; F8-I125 HydrophobicContact CZ-CD1 3.86Å; F8-I125 HydrophobicContact CZ-CG1 4.13Å; L41-I125 HydrophobicContact CD1-CD1 4.45Å; L41-I125 HydrophobicContact CD2-CD1 3.97Å; W91-I125 HydrophobicContact CE3-CD1 4.49Å; W91-I125 HydrophobicContact CE3-CG1 3.84Å; W91-I125 HydrophobicContact CZ3-CG1 4.02Å; V92-I125 PolarHBondContact O-N 2.86Å; I93-I125 WeakPolarHBondContact CA-O 3.32Å; I93-I125 HydrophobicContact CG1-CB 4.22Å; I93-I125 HydrophobicContact CG1-CD1 4.03Å; L94-I125 PolarHBondContact N-O 2.85Å; I125-V165 CarbonylContact C-O 3.56Å; I125-V165 WeakPolarHBondContact CA-O 3.22Å; I125-V165 HydrophobicContact CG1-CB 4.45Å; I125-A167 HydrophobicContact CG2-CB 3.8Å; I125-I211 HydrophobicContact CG2-CD1 4.15Å; I125-L234 HydrophobicContact CG2-CD2 4.2Å
126A98.8Very high97.4Very high1 Ų131.5 Ų31.51%0.00819%0.186CC..EExtended strand (participates in β ladder)trans-91110.6-17900000110.2V124 I151 V164 V165 V166 A167V124-A126 HydrophobicContact CG1-CB 4.27Å; A126-I151 HydrophobicContact CB-CD1 3.99Å; A126-V164 HydrophobicContact CB-CG1 4.39Å; A126-V165 PolarHBondContact N-O 2.88Å; A126-V166 WeakPolarHBondContact O-CA 3.49Å; A126-A167 PolarHBondContact O-N 2.76Å
127C98.8Very high97.4Very high1 Ų133.5 Ų33.51%0.00720%0.203CC..EExtended strand (participates in β ladder)trans-88.1136-178.5-58.50000112.1L94 G95 R100 A167 E169L94-C127 PolarHBondContact O-N 3.34Å; G95-C127 WeakPolarHBondContact O-CB 3.32Å; R100-C127 PolarHBondContact NH2-O 3.39Å; C127-A167 WeakPolarHBondContact CA-O 3.26Å; C127-A167 HydrophobicContact CB-CB 4.5Å; C127-E169 WeakPolarHBondContact CB-OE2 3.42Å; C127-E169 PolarHBondContact SG-OE2 3.08Å
128I98.8Very high97.3Very high4 Ų440.8 Ų40.82%0.02124%0.242CC..EExtended strand (participates in β ladder)trans-137.7159.1174.263172.7000109.7C144 Q147 L148 I151 V166 A167 E169 L192I128-C144 HydrophobicContact CD1-CB 4.35Å; I128-Q147 HydrophobicContact CB-CB 4.26Å; I128-Q147 VanDerWaalsContact CB-OE1 3.24Å; I128-Q147 HydrophobicContact CG2-CB 3.78Å; I128-L148 HydrophobicContact CD1-CB 4.39Å; I128-I151 HydrophobicContact CG2-CD1 4.42Å; I128-V166 HydrophobicContact CD1-CG1 3.68Å; I128-V166 HydrophobicContact CG1-CG1 3.84Å; I128-A167 PolarHBondContact N-O 2.83Å; I128-E169 PolarHBondContact O-N 2.89Å; I128-L192 HydrophobicContact CD1-CD1 3.84Å; I128-L192 HydrophobicContact CD1-CD2 3.73Å; I128-L192 HydrophobicContact CD1-CG 4.46Å
129G98.1Very high97.2Very high6 Ų645.1 Ų45.16%0.06226%0.261CS..  trans161.7158.2175.900000112.8Q147G129-Q147 PolarHBondContact O-NE2 2.79Å; G129-Q147 PolarHBondContact O-OE1 3.42Å
130E97.6Very high97.2Very high0 Ų042.2 Ų42.20%024%0.235CC..  trans-97.9152.3-18084.5-68177.700112.3E134 R135 T140 V143 Y168 V171 W172E130-E134 HydrophobicContact CB-CB 4.01Å; E130-E134 HydrophobicContact CG-CB 4.5Å; E130-R135 HydrophobicContact CG-CB 3.99Å; E130-R135 WeakPolarHBondContact OE1-CD 3.29Å; E130-R135 IonicContact OE1-NH1 2.76Å; E130-T140 HydrophobicContact CG-CG2 3.99Å; E130-V143 HydrophobicContact CB-CB 4.24Å; E130-V143 HydrophobicContact CB-CG1 4.14Å; E130-Y168 PolarHBondContact OE1-OH 3.4Å; E130-Y168 VanDerWaalsContact OE1-OH 3.07Å; E130-Y168 WeakPolarHBondContact OE2-CE2 3.39Å; E130-Y168 PolarHBondContact OE2-OH 3.33Å; E130-V171 WeakPolarHBondContact O-CB 3.47Å; E130-V171 WeakPolarHBondContact O-CG2 3.28Å; E130-V171 PolarHBondContact O-N 2.84Å; E130-W172 PolarHBondContact OE1-NE1 3.15Å
131T96Very high97.3Very high40 Ų4044.5 Ų44.525%0.24525%0.246CC..  trans-75.5165.116963.30000112.1S133 E134 R135 V171T131-S133 VanDerWaalsContact C-N 3.29Å; T131-S133 PolarHBondContact O-N 3.07Å; T131-E134 WeakPolarHBondContact CB-OE2 3.4Å; T131-E134 WeakPolarHBondContact CG2-OE2 3.2Å; T131-E134 PolarHBondContact N-OE2 3.31Å; T131-E134 PolarHBondContact O-N 2.79Å; T131-E134 WeakPolarHBondContact OG1-CB 3.37Å; T131-E134 VanDerWaalsContact OG1-CD 3.24Å; T131-E134 VanDerWaalsContact OG1-CG 3.25Å; T131-E134 WeakPolarHBondContact OG1-CG 3.3Å; T131-E134 PolarHBondContact OG1-N 3.02Å; T131-E134 PolarHBondContact OG1-OE2 3.03Å; T131-R135 PolarHBondContact O-N 2.89Å; T131-V171 HydrophobicContact CG2-CB 4.48Å; T131-V171 HydrophobicContact CG2-CG2 4.39Å
132L93.5Very high97.3Very high79 Ų7948.6 Ų48.641%0.41425%0.254SS..Hα-helixtrans-57.1-44.7175.8-174.257.3000111.6E134 R135 E136 W172L132-E134 VanDerWaalsContact C-N 3.32Å; L132-E134 PolarHBondContact O-N 2.72Å; L132-R135 WeakPolarHBondContact O-CB 3.44Å; L132-R135 PolarHBondContact O-N 2.84Å; L132-E136 HydrophobicContact CD1-CG 4.16Å; L132-E136 HydrophobicContact CG-CG 4.31Å; L132-E136 WeakPolarHBondContact O-CB 3.48Å; L132-E136 WeakPolarHBondContact O-CG 3.44Å; L132-E136 PolarHBondContact O-N 3.13Å; L132-W172 HydrophobicContact CB-CB 3.83Å; L132-W172 HydrophobicContact CB-CG 4.5Å; L132-W172 HydrophobicContact CD1-CB 4.04Å; L132-W172 HydrophobicContact CD1-CG 4.21Å; L132-W172 HydrophobicContact CG-CB 4.45Å
133S94.9Very high97.3Very high79 Ų7948.8 Ų48.855%0.55226%0.256SS*.Hα-helixtrans-63.3-38.3179.8-179.40000112.1T131 S137T131-S133 VanDerWaalsContact C-N 3.29Å; T131-S133 PolarHBondContact O-N 3.07Å; S133-S137 VanDerWaalsContact O-CB 3.27Å; S133-S137 WeakPolarHBondContact O-CB 3.44Å; S133-S137 PolarHBondContact O-N 2.83Å; S133-S137 PolarHBondContact O-OG 3.3Å
134E97.2Very high97.3Very high47 Ų4747.8 Ų47.822%0.2225%0.249CC..Hα-helixtrans-67.9-40.2174.9-71.6163.614400111.7E130 T131 L132 S137 N138 K139 V143E130-E134 HydrophobicContact CB-CB 4.01Å; E130-E134 HydrophobicContact CG-CB 4.5Å; T131-E134 WeakPolarHBondContact CB-OE2 3.4Å; T131-E134 WeakPolarHBondContact CG2-OE2 3.2Å; T131-E134 PolarHBondContact N-OE2 3.31Å; T131-E134 PolarHBondContact O-N 2.79Å; T131-E134 WeakPolarHBondContact OG1-CB 3.37Å; T131-E134 VanDerWaalsContact OG1-CD 3.24Å; T131-E134 VanDerWaalsContact OG1-CG 3.25Å; T131-E134 WeakPolarHBondContact OG1-CG 3.3Å; T131-E134 PolarHBondContact OG1-N 3.02Å; T131-E134 PolarHBondContact OG1-OE2 3.03Å; L132-E134 VanDerWaalsContact C-N 3.32Å; L132-E134 PolarHBondContact O-N 2.72Å; E134-S137 CarbonylContact O-C 3.57Å; E134-S137 PolarHBondContact O-N 2.9Å; E134-N138 PolarHBondContact O-N 2.8Å; E134-K139 HydrophobicContact CB-CB 4.32Å; E134-K139 WeakPolarHBondContact O-CB 3.38Å; E134-K139 PolarHBondContact O-N 2.86Å; E134-V143 HydrophobicContact CB-CG2 4.09Å; E134-V143 VanDerWaalsContact CD-CG2 3.47Å; E134-V143 HydrophobicContact CG-CG2 3.88Å; E134-V143 VanDerWaalsContact OE1-CG2 3.29Å; E134-V143 WeakPolarHBondContact OE1-CG2 3.34Å
135R94.8Very high97.3Very high51 Ų5149.5 Ų49.519%0.19226%0.259CS..Hα-helixtrans-59.9-51.9173.2-179.475.6-176-15413.6111.2E130 T131 L132 S137 N138 T140 E187E130-R135 HydrophobicContact CG-CB 3.99Å; E130-R135 WeakPolarHBondContact OE1-CD 3.29Å; E130-R135 IonicContact OE1-NH1 2.76Å; T131-R135 PolarHBondContact O-N 2.89Å; L132-R135 WeakPolarHBondContact O-CB 3.44Å; L132-R135 PolarHBondContact O-N 2.84Å; R135-S137 PolarHBondContact O-N 3.41Å; R135-N138 PolarHBondContact O-N 3.15Å; R135-T140 VanDerWaalsContact CD-OG1 3.27Å; R135-T140 WeakPolarHBondContact CD-OG1 3.5Å; R135-E187 IonicContact NH2-OE2 3.97Å
136E93.6Very high97.3Very high139 Ų13955.1 Ų55.165%0.6528%0.28SS*.Hα-helixtrans-64.1-25-179.2-71.3174.3163.400112.3L132 N138L132-E136 HydrophobicContact CD1-CG 4.16Å; L132-E136 HydrophobicContact CG-CG 4.31Å; L132-E136 WeakPolarHBondContact O-CB 3.48Å; L132-E136 WeakPolarHBondContact O-CG 3.44Å; L132-E136 PolarHBondContact O-N 3.13Å; E136-N138 VanDerWaalsContact C-N 3.33Å
137S97.3Very high97.3Very high66 Ų6655.5 Ų55.546%0.46228%0.282SS..THydrogen-bonded Turntrans-89.610173.9-54.90000113.8S133 E134 R135 K139S133-S137 VanDerWaalsContact O-CB 3.27Å; S133-S137 WeakPolarHBondContact O-CB 3.44Å; S133-S137 PolarHBondContact O-N 2.83Å; S133-S137 PolarHBondContact O-OG 3.3Å; E134-S137 CarbonylContact O-C 3.57Å; E134-S137 PolarHBondContact O-N 2.9Å; R135-S137 PolarHBondContact O-N 3.41Å; S137-K139 VanDerWaalsContact C-N 3.28Å; S137-K139 PolarHBondContact O-N 2.99Å
138N97Very high97.2Very high153 Ų15355.5 Ų55.582%0.81828%0.282SS*.THydrogen-bonded Turntrans56.734.4-176.8-59.1-58.3000114.4E134 R135 E136E134-N138 PolarHBondContact O-N 2.8Å; R135-N138 PolarHBondContact O-N 3.15Å; E136-N138 VanDerWaalsContact C-N 3.33Å
139K98.1Very high97.2Very high95 Ų9560.7 Ų60.741%0.41330%0.304SS..  trans-103.97.9-178.9-66.3-172.6174.2-174.40114.6E134 S137 E141 E142 V143E134-K139 HydrophobicContact CB-CB 4.32Å; E134-K139 WeakPolarHBondContact O-CB 3.38Å; E134-K139 PolarHBondContact O-N 2.86Å; S137-K139 VanDerWaalsContact C-N 3.28Å; S137-K139 PolarHBondContact O-N 2.99Å; K139-E141 PolarHBondContact O-N 3.27Å; K139-E142 PolarHBondContact O-N 3.23Å; K139-V143 HydrophobicContact CB-CG2 4.26Å; K139-V143 VanDerWaalsContact O-CG2 3.31Å; K139-V143 WeakPolarHBondContact O-CG2 3.49Å; K139-V143 PolarHBondContact O-N 3.31Å
140T97.6Very high97.2Very high15 Ų1561.1 Ų61.19%0.09231%0.307CS..Hα-helixtrans-49.6-53-177.1-53.60000113.1E130 R135 V143 C144 V188E130-T140 HydrophobicContact CG-CG2 3.99Å; R135-T140 VanDerWaalsContact CD-OG1 3.27Å; R135-T140 WeakPolarHBondContact CD-OG1 3.5Å; T140-V143 PolarHBondContact O-N 3.43Å; T140-C144 WeakPolarHBondContact O-CB 3.31Å; T140-C144 PolarHBondContact O-N 2.92Å; T140-C144 PolarHBondContact O-SG 2.88Å; T140-V188 HydrophobicContact CG2-CG2 3.92Å
141E98Very high97.3Very high98 Ų9861.2 Ų61.246%0.45831%0.308SS..Hα-helixtrans-65.5-43.8-178.3-69.7-169.4173.200111.7K139 V143 C144 V145 F191K139-E141 PolarHBondContact O-N 3.27Å; E141-V143 PolarHBondContact O-N 2.91Å; E141-C144 PolarHBondContact O-N 3.48Å; E141-V145 WeakPolarHBondContact O-CB 3.42Å; E141-V145 VanDerWaalsContact O-CG2 3.28Å; E141-V145 WeakPolarHBondContact O-CG2 3.37Å; E141-V145 PolarHBondContact O-N 3.35Å; E141-F191 HydrophobicContact CB-CD1 4.35Å; E141-F191 HydrophobicContact CB-CD2 4.48Å; E141-F191 HydrophobicContact CB-CE1 3.75Å; E141-F191 HydrophobicContact CB-CE2 3.9Å; E141-F191 HydrophobicContact CB-CZ 3.49Å; E141-F191 VanDerWaalsContact CB-CZ 3.49Å; E141-F191 HydrophobicContact CG-CD1 3.9Å; E141-F191 HydrophobicContact CG-CD2 3.85Å; E141-F191 HydrophobicContact CG-CE1 3.81Å; E141-F191 HydrophobicContact CG-CE2 3.77Å; E141-F191 HydrophobicContact CG-CG 3.91Å; E141-F191 HydrophobicContact CG-CZ 3.74Å; E141-F191 VanDerWaalsContact OE1-CD2 3.28Å; E141-F191 WeakPolarHBondContact OE1-CD2 3.21Å; E141-F191 VanDerWaalsContact OE2-CE2 3.25Å; E141-F191 WeakPolarHBondContact OE2-CE2 3.47Å
142E98.4Very high97.4Very high125 Ų12560 Ų6058%0.58430%0.302SS*.Hα-helixtrans-58-47.9178-174.7-168.5145.300111.2K139 V145 R146K139-E142 PolarHBondContact O-N 3.23Å; E142-V145 PolarHBondContact O-N 2.92Å; E142-R146 WeakPolarHBondContact O-CB 3.06Å; E142-R146 PolarHBondContact O-N 2.64Å
143V98.5Very high97.6Very high4 Ų461.8 Ų61.82%0.02431%0.312CS..Hα-helixtrans-65.7-48.1-179.6172.80000110.9E130 E134 K139 T140 E141 V145 R146 Q147E130-V143 HydrophobicContact CB-CB 4.24Å; E130-V143 HydrophobicContact CB-CG1 4.14Å; E134-V143 HydrophobicContact CB-CG2 4.09Å; E134-V143 VanDerWaalsContact CD-CG2 3.47Å; E134-V143 HydrophobicContact CG-CG2 3.88Å; E134-V143 VanDerWaalsContact OE1-CG2 3.29Å; E134-V143 WeakPolarHBondContact OE1-CG2 3.34Å; K139-V143 HydrophobicContact CB-CG2 4.26Å; K139-V143 VanDerWaalsContact O-CG2 3.31Å; K139-V143 WeakPolarHBondContact O-CG2 3.49Å; K139-V143 PolarHBondContact O-N 3.31Å; T140-V143 PolarHBondContact O-N 3.43Å; E141-V143 PolarHBondContact O-N 2.91Å; V143-V145 VanDerWaalsContact C-N 3.34Å; V143-V145 PolarHBondContact O-N 3.22Å; V143-R146 PolarHBondContact O-N 2.78Å; V143-Q147 VanDerWaalsContact O-CG 3.31Å; V143-Q147 WeakPolarHBondContact O-CG 3.39Å; V143-Q147 PolarHBondContact O-N 2.99Å
144C98.5Very high97.8Very high0 Ų060.4 Ų60.40%030%0.296CS..Hα-helixtrans-62.4-41.3179.2-70.20000111.6I128 T140 E141 L148 L192I128-C144 HydrophobicContact CD1-CB 4.35Å; T140-C144 WeakPolarHBondContact O-CB 3.31Å; T140-C144 PolarHBondContact O-N 2.92Å; T140-C144 PolarHBondContact O-SG 2.88Å; E141-C144 PolarHBondContact O-N 3.48Å; C144-L148 WeakPolarHBondContact O-CB 3.19Å; C144-L148 PolarHBondContact O-N 2.89Å; C144-L192 HydrophobicContact CB-CD2 4.14Å
145V98.5Very high97.8Very high36 Ų3658.8 Ų58.822%0.21829%0.289CS..Hα-helixtrans-65.6-44175.7167.60000111.5E141 E142 V143 Q147 L148 K149 F191 W195E141-V145 WeakPolarHBondContact O-CB 3.42Å; E141-V145 VanDerWaalsContact O-CG2 3.28Å; E141-V145 WeakPolarHBondContact O-CG2 3.37Å; E141-V145 PolarHBondContact O-N 3.35Å; E142-V145 PolarHBondContact O-N 2.92Å; V143-V145 VanDerWaalsContact C-N 3.34Å; V143-V145 PolarHBondContact O-N 3.22Å; V145-Q147 VanDerWaalsContact C-N 3.34Å; V145-Q147 PolarHBondContact O-N 3.4Å; V145-L148 PolarHBondContact O-N 3.23Å; V145-K149 WeakPolarHBondContact O-CB 3.28Å; V145-K149 PolarHBondContact O-N 3.47Å; V145-F191 HydrophobicContact CG2-CE1 3.66Å; V145-F191 HydrophobicContact CG2-CZ 3.38Å; V145-W195 HydrophobicContact CG2-CG 4.37Å
146R98.6Very high97.6Very high119 Ų11964.3 Ų64.345%0.44931%0.314SS..Hα-helixtrans-55.8-51.6177.6175.8-173.658.2100.1-9.9110.8D107 E142 V143 A150D107-R146 IonicContact OD1-NH1 3.45Å; D107-R146 WeakPolarHBondContact OD2-CG 3.38Å; D107-R146 IonicContact OD2-CZ 3.83Å; D107-R146 IonicContact OD2-NE 3.84Å; D107-R146 IonicContact OD2-NH1 3.04Å; D107-R146 PolarHBondContact OD2-NH1 3.41Å; E142-R146 WeakPolarHBondContact O-CB 3.06Å; E142-R146 PolarHBondContact O-N 2.64Å; V143-R146 PolarHBondContact O-N 2.78Å; R146-A150 PolarHBondContact O-N 3.34Å
147Q98.8Very high97.6Very high9 Ų959.8 Ų59.84%0.04230%0.298CS..Hα-helixtrans-64.3-47.2-179.5-65.6171.1-2.900111.5I128 G129 V143 V145 A150 I151I128-Q147 HydrophobicContact CB-CB 4.26Å; I128-Q147 VanDerWaalsContact CB-OE1 3.24Å; I128-Q147 HydrophobicContact CG2-CB 3.78Å; G129-Q147 PolarHBondContact O-NE2 2.79Å; G129-Q147 PolarHBondContact O-OE1 3.42Å; V143-Q147 VanDerWaalsContact O-CG 3.31Å; V143-Q147 WeakPolarHBondContact O-CG 3.39Å; V143-Q147 PolarHBondContact O-N 2.99Å; V145-Q147 VanDerWaalsContact C-N 3.34Å; V145-Q147 PolarHBondContact O-N 3.4Å; Q147-A150 PolarHBondContact O-N 3.42Å; Q147-I151 WeakPolarHBondContact O-CG1 3.36Å; Q147-I151 PolarHBondContact O-N 2.79Å
148L98.4Very high97.4Very high0 Ų058.8 Ų58.80%029%0.293CS..Hα-helixtrans-67.3-39.4-178.6-178.258.6000112.2I128 C144 V145 A150 I151 A152 V166 L192 W195 F196I128-L148 HydrophobicContact CD1-CB 4.39Å; C144-L148 WeakPolarHBondContact O-CB 3.19Å; C144-L148 PolarHBondContact O-N 2.89Å; V145-L148 PolarHBondContact O-N 3.23Å; L148-A150 VanDerWaalsContact C-N 3.35Å; L148-A150 PolarHBondContact O-N 3.38Å; L148-I151 PolarHBondContact O-N 3.22Å; L148-A152 VanDerWaalsContact O-CB 3.31Å; L148-A152 WeakPolarHBondContact O-CB 3.22Å; L148-A152 PolarHBondContact O-N 3.06Å; L148-V166 HydrophobicContact CD1-CG2 4.17Å; L148-L192 HydrophobicContact CD2-CD2 4.03Å; L148-W195 HydrophobicContact CD2-CD2 3.99Å; L148-W195 HydrophobicContact CD2-CE3 3.38Å; L148-W195 HydrophobicContact CD2-CH2 4.43Å; L148-W195 HydrophobicContact CD2-CZ3 3.65Å; L148-W195 HydrophobicContact CG-CE3 4.01Å; L148-W195 HydrophobicContact CG-CH2 4.16Å; L148-W195 HydrophobicContact CG-CZ3 3.75Å; L148-F196 HydrophobicContact CD1-CE1 4.47Å; L148-F196 HydrophobicContact CD1-CE2 4.43Å; L148-F196 HydrophobicContact CD1-CZ 3.79Å; L148-F196 HydrophobicContact CD2-CD2 4.44Å; L148-F196 HydrophobicContact CD2-CE2 3.81Å; L148-F196 HydrophobicContact CD2-CZ 3.87Å; L148-F196 HydrophobicContact CG-CZ 4.37Å
149K98.3Very high97.3Very high113 Ų11355.9 Ų55.949%0.49128%0.278SS..Hα-helixtrans-63.5-40.6178.9-176.1173.5-179.3177.60111.6V145 I151 A152 N153 W195V145-K149 WeakPolarHBondContact O-CB 3.28Å; V145-K149 PolarHBondContact O-N 3.47Å; K149-I151 VanDerWaalsContact C-N 3.29Å; K149-I151 PolarHBondContact O-N 3.25Å; K149-A152 PolarHBondContact O-N 3.22Å; K149-N153 WeakPolarHBondContact O-CB 3.17Å; K149-N153 PolarHBondContact O-N 3.22Å; K149-N153 PolarHBondContact O-ND2 3.47Å; K149-N153 PolarHBondContact O-OD1 3.23Å; K149-W195 HydrophobicContact CB-CZ2 4.09Å; K149-W195 HydrophobicContact CG-CZ2 4.48Å
150A98.7Very high97.2Very high16 Ų1653.1 Ų53.113%0.13227%0.267CS..Hα-helixtrans-57.3-45.917500000111.4D107 A111 R146 Q147 L148D107-A150 HydrophobicContact CB-CB 3.74Å; A111-A150 HydrophobicContact CB-CB 4.33Å; A111-A150 VanDerWaalsContact CB-O 3.24Å; A111-A150 WeakPolarHBondContact CB-O 3.3Å; R146-A150 PolarHBondContact O-N 3.34Å; Q147-A150 PolarHBondContact O-N 3.42Å; L148-A150 VanDerWaalsContact C-N 3.35Å; L148-A150 PolarHBondContact O-N 3.38Å
151I98.7Very high97.2Very high2 Ų252.9 Ų52.91%0.0126%0.264CS..Hα-helixtrans-65.9-50.4177.8-61.9174.9000110.9I110 V114 A126 I128 Q147 L148 K149 N153 K154 I155I110-I151 HydrophobicContact CG2-CD1 4.11Å; I110-I151 HydrophobicContact CG2-CG1 4.32Å; V114-I151 HydrophobicContact CB-CG2 4.23Å; V114-I151 HydrophobicContact CG1-CG2 3.86Å; V114-I151 HydrophobicContact CG2-CG1 4.44Å; V114-I151 HydrophobicContact CG2-CG2 4.01Å; A126-I151 HydrophobicContact CB-CD1 3.99Å; I128-I151 HydrophobicContact CG2-CD1 4.42Å; Q147-I151 WeakPolarHBondContact O-CG1 3.36Å; Q147-I151 PolarHBondContact O-N 2.79Å; L148-I151 PolarHBondContact O-N 3.22Å; K149-I151 VanDerWaalsContact C-N 3.29Å; K149-I151 PolarHBondContact O-N 3.25Å; I151-N153 VanDerWaalsContact C-N 3.27Å; I151-N153 PolarHBondContact O-N 3.23Å; I151-K154 PolarHBondContact O-N 3.33Å; I151-I155 HydrophobicContact CG2-CD1 3.92Å
152A98.2Very high97.2Very high15 Ų1554.2 Ų54.212%0.12427%0.268CS..Hα-helixtrans-59.4-35.9-178.500000112.9L148 K149 K154 I155 W161 W195L148-A152 VanDerWaalsContact O-CB 3.31Å; L148-A152 WeakPolarHBondContact O-CB 3.22Å; L148-A152 PolarHBondContact O-N 3.06Å; K149-A152 PolarHBondContact O-N 3.22Å; A152-K154 PolarHBondContact O-N 3.41Å; A152-K154 VanDerWaalsContact O-N 3.11Å; A152-I155 PolarHBondContact O-N 3.08Å; A152-I155 VanDerWaalsContact O-N 3.14Å; A152-W161 HydrophobicContact CB-CH2 4.01Å; A152-W161 HydrophobicContact CB-CZ2 3.74Å; A152-W195 HydrophobicContact CB-CH2 3.62Å; A152-W195 HydrophobicContact CB-CZ3 4.15Å
153N97.8Very high97.1Very high116 Ų11651.1 Ų51.162%0.6225%0.251SS*.THydrogen-bonded Turntrans-62.5-16.8176.7-73.3-13.7000113.7K149 I151K149-N153 WeakPolarHBondContact O-CB 3.17Å; K149-N153 PolarHBondContact O-N 3.22Å; K149-N153 PolarHBondContact O-ND2 3.47Å; K149-N153 PolarHBondContact O-OD1 3.23Å; I151-N153 VanDerWaalsContact C-N 3.27Å; I151-N153 PolarHBondContact O-N 3.23Å
154K98Very high97.1Very high49 Ų4951 Ų5121%0.21325%0.251CS..THydrogen-bonded Turntrans-101-9.8178-58.3-71-175.4170.20113.8E108 A111 Q115 I151 A152E108-K154 WeakPolarHBondContact OE1-CE 3.34Å; E108-K154 IonicContact OE1-NZ 3.84Å; E108-K154 PolarHBondContact OE1-NZ 2.97Å; A111-K154 HydrophobicContact CB-CG 3.71Å; Q115-K154 HydrophobicContact CB-CB 3.97Å; Q115-K154 HydrophobicContact CG-CB 4.36Å; I151-K154 PolarHBondContact O-N 3.33Å; A152-K154 PolarHBondContact O-N 3.41Å; A152-K154 VanDerWaalsContact O-N 3.11Å
155I98Very high97.2Very high14 Ų1451 Ų517%0.07225%0.251CS..  trans-94.3118.8179.4-61.1167.8000108.9V114 L118 I151 A152 E160 W161 V164V114-I155 HydrophobicContact CG1-CD1 4.26Å; V114-I155 HydrophobicContact CG1-CG1 4.35Å; L118-I155 HydrophobicContact CD1-CD1 4.29Å; L118-I155 HydrophobicContact CD1-CG1 3.85Å; I151-I155 HydrophobicContact CG2-CD1 3.92Å; A152-I155 PolarHBondContact O-N 3.08Å; A152-I155 VanDerWaalsContact O-N 3.14Å; I155-E160 HydrophobicContact CG2-CB 3.67Å; I155-W161 HydrophobicContact CB-CZ2 4.1Å; I155-W161 HydrophobicContact CD1-CD2 4.1Å; I155-W161 HydrophobicContact CD1-CE3 3.93Å; I155-W161 HydrophobicContact CD1-CH2 3.45Å; I155-W161 VanDerWaalsContact CD1-CH2 3.45Å; I155-W161 HydrophobicContact CD1-CZ2 3.64Å; I155-W161 HydrophobicContact CD1-CZ3 3.61Å; I155-W161 HydrophobicContact CG1-CZ2 4.45Å; I155-W161 HydrophobicContact CG2-CD2 3.92Å; I155-W161 HydrophobicContact CG2-CG 3.91Å; I155-W161 HydrophobicContact CG2-CZ2 4.31Å; I155-V164 HydrophobicContact CD1-CG2 3.98Å
156K90.2Very high97.2Very high166 Ų16649.3 Ų49.372%0.72224%0.24SC*.  trans-92.8-19.9-163-61.4179.3-177.9175.60114.2E160K156-E160 PolarHBondContact N-OE2 3.38Å
157S93.9Very high97.2Very high44 Ų4443.7 Ų43.731%0.30822%0.219SC..  trans-148.2158.6-172.173.60000113.3D159 E160 W161S157-D159 PolarHBondContact O-N 3.04Å; S157-D159 PolarHBondContact OG-N 3.37Å; S157-E160 PolarHBondContact O-N 3.06Å; S157-E160 PolarHBondContact OG-N 3.12Å; S157-W161 VanDerWaalsContact O-CD1 3.23Å; S157-W161 PolarHBondContact O-N 2.92Å
158A93.4Very high97.2Very high45 Ų4543.2 Ų43.237%0.37222%0.217SC..Hα-helixtrans-59.6-25.2170.600000112.7P201 V204A158-P201 HydrophobicContact CB-CB 3.96Å; A158-V204 HydrophobicContact CB-CG2 4.25Å
159D94.5Very high97.1Very high92 Ų9243.7 Ų43.749%0.49222%0.219SC..Hα-helixtrans-74.2-40.9178.8-163.867.7000112S157 W161 K162S157-D159 PolarHBondContact O-N 3.04Å; S157-D159 PolarHBondContact OG-N 3.37Å; D159-W161 VanDerWaalsContact C-N 3.29Å; D159-W161 PolarHBondContact O-N 2.82Å; D159-K162 VanDerWaalsContact O-CB 3.31Å; D159-K162 WeakPolarHBondContact O-CB 3.48Å; D159-K162 PolarHBondContact O-N 2.69Å; D159-K162 VanDerWaalsContact O-N 3.1Å; D159-K162 WeakPolarHBondContact OD1-CE 3.5Å; D159-K162 IonicContact OD1-NZ 4Å; D159-K162 PolarHBondContact OD1-NZ 3.3Å
160E97.1Very high96.9Very high37 Ų3738.3 Ų38.317%0.17320%0.196CC..Hα-helixtrans-61.1-38.5172.8-73-177.3163.700111.8L118 I155 K156 S157 K162 R163L118-E160 HydrophobicContact CD1-CB 4.49Å; I155-E160 HydrophobicContact CG2-CB 3.67Å; K156-E160 PolarHBondContact N-OE2 3.38Å; S157-E160 PolarHBondContact O-N 3.06Å; S157-E160 PolarHBondContact OG-N 3.12Å; E160-K162 PolarHBondContact O-N 3.13Å; E160-K162 VanDerWaalsContact O-N 3.16Å; E160-R163 PolarHBondContact O-N 3.35Å
161W97.6Very high96.6Very high10 Ų1039.3 Ų39.34%0.03820%0.2CC..Hα-helixtrans-59.8-23.5175.4-79.9111.5000114A152 I155 S157 D159 R163 V164 F196 V204 I208A152-W161 HydrophobicContact CB-CH2 4.01Å; A152-W161 HydrophobicContact CB-CZ2 3.74Å; I155-W161 HydrophobicContact CB-CZ2 4.1Å; I155-W161 HydrophobicContact CD1-CD2 4.1Å; I155-W161 HydrophobicContact CD1-CE3 3.93Å; I155-W161 HydrophobicContact CD1-CH2 3.45Å; I155-W161 VanDerWaalsContact CD1-CH2 3.45Å; I155-W161 HydrophobicContact CD1-CZ2 3.64Å; I155-W161 HydrophobicContact CD1-CZ3 3.61Å; I155-W161 HydrophobicContact CG1-CZ2 4.45Å; I155-W161 HydrophobicContact CG2-CD2 3.92Å; I155-W161 HydrophobicContact CG2-CG 3.91Å; I155-W161 HydrophobicContact CG2-CZ2 4.31Å; S157-W161 VanDerWaalsContact O-CD1 3.23Å; S157-W161 PolarHBondContact O-N 2.92Å; D159-W161 VanDerWaalsContact C-N 3.29Å; D159-W161 PolarHBondContact O-N 2.82Å; W161-R163 PolarHBondContact O-N 2.65Å; W161-V164 HydrophobicContact CE3-CB 3.92Å; W161-V164 HydrophobicContact CE3-CG1 4.02Å; W161-V164 HydrophobicContact CE3-CG2 4.29Å; W161-V164 HydrophobicContact CZ3-CB 4.28Å; W161-V164 HydrophobicContact CZ3-CG1 3.86Å; W161-V164 PolarHBondContact O-N 2.88Å; W161-V164 VanDerWaalsContact O-N 3.16Å; W161-F196 HydrophobicContact CE3-CE1 4.04Å; W161-F196 AromaticContact CH2-CE1 3.49Å; W161-F196 HydrophobicContact CH2-CE1 3.49Å; W161-F196 VanDerWaalsContact CH2-CE1 3.49Å; W161-F196 HydrophobicContact CH2-CZ 4.08Å; W161-F196 HydrophobicContact CZ2-CE1 4.05Å; W161-F196 AromaticContact CZ3-CE1 3.49Å; W161-F196 HydrophobicContact CZ3-CE1 3.49Å; W161-F196 VanDerWaalsContact CZ3-CE1 3.49Å; W161-F196 AromaticContact CZ3-CZ 3.86Å; W161-F196 HydrophobicContact CZ3-CZ 3.86Å; W161-V204 HydrophobicContact CB-CG1 3.98Å; W161-V204 HydrophobicContact CB-CG2 3.87Å; W161-V204 HydrophobicContact CD2-CG1 3.97Å; W161-V204 HydrophobicContact CE3-CG1 4.38Å; W161-V204 HydrophobicContact CG-CG1 3.8Å; W161-V204 HydrophobicContact CG-CG2 3.89Å; W161-I208 HydrophobicContact CE3-CD1 3.61Å; W161-I208 HydrophobicContact CZ3-CD1 4.1Å
162K96.7Very high96.3Very high127 Ų12740.9 Ų40.955%0.55221%0.206SC*.THydrogen-bonded Turntrans-64.8-25.3174.7-61174.5-173.8163.50112.5D159 E160D159-K162 VanDerWaalsContact O-CB 3.31Å; D159-K162 WeakPolarHBondContact O-CB 3.48Å; D159-K162 PolarHBondContact O-N 2.69Å; D159-K162 VanDerWaalsContact O-N 3.1Å; D159-K162 WeakPolarHBondContact OD1-CE 3.5Å; D159-K162 IonicContact OD1-NZ 4Å; D159-K162 PolarHBondContact OD1-NZ 3.3Å; E160-K162 PolarHBondContact O-N 3.13Å; E160-K162 VanDerWaalsContact O-N 3.16Å
163R97.6Very high95.9Very high60 Ų6040.1 Ų40.123%0.22620%0.2CC..THydrogen-bonded Turntrans-95.511.9178.7-65.5-174.2-66.8131.4-7.5112.6L118 L122 S123 V124 E160 W161L118-R163 HydrophobicContact CD2-CB 3.86Å; L118-R163 VanDerWaalsContact O-CZ 3.3Å; L118-R163 PolarHBondContact O-NH1 3.1Å; L118-R163 PolarHBondContact O-NH2 3.14Å; L122-R163 PolarHBondContact O-NH1 2.89Å; S123-R163 CarbonylContact C-O 3.58Å; S123-R163 VanDerWaalsContact CA-O 3.24Å; S123-R163 WeakPolarHBondContact CA-O 3.16Å; S123-R163 WeakPolarHBondContact CB-O 3.31Å; V124-R163 PolarHBondContact N-O 2.77Å; E160-R163 PolarHBondContact O-N 3.35Å; W161-R163 PolarHBondContact O-N 2.65Å
164V98.7Very high95.1Very high1 Ų136 Ų361%0.00618%0.177CC..EExtended strand (participates in β ladder)trans-115.8136.3178.3-178.40000110.1L118 V124 A126 I155 W161 I208L118-V164 HydrophobicContact CD1-CG2 3.92Å; L118-V164 HydrophobicContact CD2-CG2 3.96Å; V124-V164 CarbonylContact O-C 3.5Å; V124-V164 WeakPolarHBondContact O-CA 3.49Å; A126-V164 HydrophobicContact CB-CG1 4.39Å; I155-V164 HydrophobicContact CD1-CG2 3.98Å; W161-V164 HydrophobicContact CE3-CB 3.92Å; W161-V164 HydrophobicContact CE3-CG1 4.02Å; W161-V164 HydrophobicContact CE3-CG2 4.29Å; W161-V164 HydrophobicContact CZ3-CB 4.28Å; W161-V164 HydrophobicContact CZ3-CG1 3.86Å; W161-V164 PolarHBondContact O-N 2.88Å; W161-V164 VanDerWaalsContact O-N 3.16Å; V164-I208 HydrophobicContact CB-CD1 4.34Å; V164-I208 HydrophobicContact CG1-CD1 4.42Å; V164-I208 WeakPolarHBondContact O-CD1 3.38Å
165V98.8Very high94.3Very high0 Ų037.2 Ų37.20%020%0.204CC..EExtended strand (participates in β ladder)trans-120.4135.3165.9174.80000106.8F8 W91 V124 I125 A126 R209 I211F8-V165 HydrophobicContact CD1-CG1 4.23Å; F8-V165 HydrophobicContact CD2-CG2 4.14Å; F8-V165 HydrophobicContact CE1-CG1 4.4Å; F8-V165 HydrophobicContact CE2-CG2 4.08Å; F8-V165 HydrophobicContact CG-CG2 4.43Å; F8-V165 HydrophobicContact CZ-CG2 4.32Å; W91-V165 HydrophobicContact CH2-CG2 3.65Å; W91-V165 HydrophobicContact CZ3-CB 4.3Å; W91-V165 HydrophobicContact CZ3-CG2 3.78Å; V124-V165 PolarHBondContact O-N 2.84Å; I125-V165 CarbonylContact C-O 3.56Å; I125-V165 WeakPolarHBondContact CA-O 3.22Å; I125-V165 HydrophobicContact CG1-CB 4.45Å; A126-V165 PolarHBondContact N-O 2.88Å; V165-R209 HydrophobicContact CG1-CB 4.26Å; V165-R209 HydrophobicContact CG2-CB 4.25Å; V165-I211 HydrophobicContact CG1-CB 4.49Å; V165-I211 HydrophobicContact CG1-CD1 3.78Å; V165-I211 HydrophobicContact CG1-CG1 3.9Å; V165-I211 HydrophobicContact CG1-CG2 3.9Å
166V98.8Very high93.5Very high1 Ų140.2 Ų40.21%0.00622%0.223CC..EExtended strand (participates in β ladder)trans-97.6124.3173.71770000108.8A126 I128 L148 F196 R209 I210 I211A126-V166 WeakPolarHBondContact O-CA 3.49Å; I128-V166 HydrophobicContact CD1-CG1 3.68Å; I128-V166 HydrophobicContact CG1-CG1 3.84Å; L148-V166 HydrophobicContact CD1-CG2 4.17Å; V166-F196 HydrophobicContact CG2-CE2 4.11Å; V166-F196 HydrophobicContact CG2-CZ 3.76Å; V166-R209 PolarHBondContact N-O 3.22Å; V166-I210 CarbonylContact O-C 3.38Å; V166-I210 WeakPolarHBondContact O-CA 3.48Å; V166-I211 PolarHBondContact O-N 3.17Å
167A98.8Very high92.9Very high0 Ų035.4 Ų35.40%022%0.221CC..EExtended strand (participates in β ladder)trans-98.6111.7170.400000109.4I125 A126 C127 I128 E169 I211 L234I125-A167 HydrophobicContact CG2-CB 3.8Å; A126-A167 PolarHBondContact O-N 2.76Å; C127-A167 WeakPolarHBondContact CA-O 3.26Å; C127-A167 HydrophobicContact CB-CB 4.5Å; I128-A167 PolarHBondContact N-O 2.83Å; A167-E169 HydrophobicContact CB-CG 4.14Å; A167-I211 CarbonylContact C-O 3.59Å; A167-I211 WeakPolarHBondContact CA-O 3.38Å; A167-I211 HydrophobicContact CB-CD1 4.04Å; A167-I211 HydrophobicContact CB-CG1 3.69Å; A167-L234 HydrophobicContact CB-CB 4.3Å; A167-L234 HydrophobicContact CB-CD2 3.83Å
168Y98.6Very high92.3Very high0 Ų040 Ų400%024%0.236CC..EExtended strand (participates in β ladder)trans-83.6112.1168.3170.8-121.6000109.2E130 P170 V188 H189 I211 Y212 G213E130-Y168 PolarHBondContact OE1-OH 3.4Å; E130-Y168 VanDerWaalsContact OE1-OH 3.07Å; E130-Y168 WeakPolarHBondContact OE2-CE2 3.39Å; E130-Y168 PolarHBondContact OE2-OH 3.33Å; Y168-P170 HydrophobicContact CE1-CG 3.93Å; Y168-P170 HydrophobicContact CE2-CB 4.45Å; Y168-V188 HydrophobicContact CD1-CB 4.08Å; Y168-V188 HydrophobicContact CD1-CG1 3.95Å; Y168-V188 HydrophobicContact CD2-CG1 3.85Å; Y168-V188 HydrophobicContact CE1-CB 3.66Å; Y168-V188 HydrophobicContact CE1-CG1 3.76Å; Y168-V188 HydrophobicContact CE1-CG2 3.95Å; Y168-V188 HydrophobicContact CE2-CB 4.43Å; Y168-V188 HydrophobicContact CE2-CG1 3.68Å; Y168-V188 HydrophobicContact CG-CG1 3.99Å; Y168-H189 AromaticContact CD1-CD2 3.72Å; Y168-H189 AromaticContact CD1-NE2 3.73Å; Y168-I211 PolarHBondContact N-O 2.94Å; Y168-Y212 HydrophobicContact CD1-CD2 4.21Å; Y168-G213 PolarHBondContact O-N 3.39Å
169E96.6Very high91.8Very high9 Ų940.5 Ų40.54%0.04223%0.234CC..  trans-124.987.5-177-52.1-165.697.900110.7H96 C127 I128 A167 V171 I174 G213H96-E169 IonicContact CD2-OE1 2.71Å; H96-E169 IonicContact CD2-OE2 3.94Å; H96-E169 PolarHBondContact CD2-OE2 3.37Å; H96-E169 IonicContact NE2-OE1 3.82Å; H96-E169 IonicContact NE2-OE2 3.83Å; C127-E169 WeakPolarHBondContact CB-OE2 3.42Å; C127-E169 PolarHBondContact SG-OE2 3.08Å; I128-E169 PolarHBondContact O-N 2.89Å; A167-E169 HydrophobicContact CB-CG 4.14Å; E169-V171 PolarHBondContact O-N 2.83Å; E169-I174 HydrophobicContact CB-CD1 3.81Å; E169-I174 HydrophobicContact CB-CG1 4.41Å; E169-G213 WeakPolarHBondContact CA-O 3.12Å; E169-G213 WeakPolarHBondContact CB-O 2.99Å; E169-G213 WeakPolarHBondContact CG-O 3.48Å
170P93.5Very high91.5Very high0 Ų036.2 Ų36.20%021%0.211CC..  trans-57.1117.8173.914.6-19.8000108.6Y168 W172 A173 Y212Y168-P170 HydrophobicContact CE1-CG 3.93Å; Y168-P170 HydrophobicContact CE2-CB 4.45Å; P170-W172 HydrophobicContact CB-CD2 4.08Å; P170-W172 VanDerWaalsContact CB-CE2 3.47Å; P170-W172 HydrophobicContact CB-CG 4.34Å; P170-W172 HydrophobicContact CB-CZ2 3.78Å; P170-W172 VanDerWaalsContact CB-NE1 3.34Å; P170-W172 HydrophobicContact CG-CZ2 4.26Å; P170-W172 PolarHBondContact O-N 2.96Å; P170-W172 VanDerWaalsContact O-N 3.08Å; P170-A173 HydrophobicContact CB-CB 4.32Å; P170-A173 HydrophobicContact CG-CB 3.9Å; P170-A173 WeakPolarHBondContact O-CA 3.47Å; P170-A173 WeakPolarHBondContact O-CB 3.29Å; P170-A173 PolarHBondContact O-N 2.86Å; P170-Y212 HydrophobicContact CG-CE2 3.86Å
171V93.7Very high91.3Very high37 Ų3737.4 Ų37.422%0.22422%0.221CC..G310 helixtrans-59.9-32.7-168.7-179.40000110.7E130 T131 E169 A173 I174E130-V171 WeakPolarHBondContact O-CB 3.47Å; E130-V171 WeakPolarHBondContact O-CG2 3.28Å; E130-V171 PolarHBondContact O-N 2.84Å; T131-V171 HydrophobicContact CG2-CB 4.48Å; T131-V171 HydrophobicContact CG2-CG2 4.39Å; E169-V171 PolarHBondContact O-N 2.83Å; V171-A173 PolarHBondContact O-N 3.21Å; V171-I174 PolarHBondContact O-N 3.03Å
172W92.7Very high91.3Very high35 Ų3537.9 Ų37.913%0.13323%0.225CC..G310 helixtrans-67.4-15176.856.2-96000114.6E130 L132 P170 T176 A180E130-W172 PolarHBondContact OE1-NE1 3.15Å; L132-W172 HydrophobicContact CB-CB 3.83Å; L132-W172 HydrophobicContact CB-CG 4.5Å; L132-W172 HydrophobicContact CD1-CB 4.04Å; L132-W172 HydrophobicContact CD1-CG 4.21Å; L132-W172 HydrophobicContact CG-CB 4.45Å; P170-W172 HydrophobicContact CB-CD2 4.08Å; P170-W172 VanDerWaalsContact CB-CE2 3.47Å; P170-W172 HydrophobicContact CB-CG 4.34Å; P170-W172 HydrophobicContact CB-CZ2 3.78Å; P170-W172 VanDerWaalsContact CB-NE1 3.34Å; P170-W172 HydrophobicContact CG-CZ2 4.26Å; P170-W172 PolarHBondContact O-N 2.96Å; P170-W172 VanDerWaalsContact O-N 3.08Å; W172-T176 VanDerWaalsContact O-CG2 3.31Å; W172-T176 WeakPolarHBondContact O-CG2 3.47Å; W172-T176 PolarHBondContact O-OG1 2.87Å; W172-A180 HydrophobicContact CH2-CB 3.71Å; W172-A180 HydrophobicContact CZ2-CB 4.4Å; W172-A180 HydrophobicContact CZ3-CB 4.43Å
173A88.8Confident91.3Very high0 Ų037.8 Ų37.80%023%0.227CC..G310 helixtrans-97.1-5.8175.400000113.6P170 V171 G175 K178 G214 S215P170-A173 HydrophobicContact CB-CB 4.32Å; P170-A173 HydrophobicContact CG-CB 3.9Å; P170-A173 WeakPolarHBondContact O-CA 3.47Å; P170-A173 WeakPolarHBondContact O-CB 3.29Å; P170-A173 PolarHBondContact O-N 2.86Å; V171-A173 PolarHBondContact O-N 3.21Å; A173-G175 PolarHBondContact O-N 3.09Å; A173-K178 WeakPolarHBondContact CA-O 3.28Å; A173-K178 VanDerWaalsContact CB-O 3.28Å; A173-K178 WeakPolarHBondContact CB-O 3.36Å; A173-G214 CarbonylContact O-C 3.54Å; A173-S215 WeakPolarHBondContact O-CB 3.44Å; A173-S215 PolarHBondContact O-N 3.02Å; A173-S215 VanDerWaalsContact O-N 3.14Å; A173-S215 PolarHBondContact O-OG 3.02Å
174I82.4Confident91.1Very high28 Ų2837.7 Ų37.714%0.14423%0.229CC..SBendtrans-86.6110-174.4-58.6173.7000109.7S97 E169 V171 T176S97-I174 WeakPolarHBondContact OG-CD1 3.36Å; E169-I174 HydrophobicContact CB-CD1 3.81Å; E169-I174 HydrophobicContact CB-CG1 4.41Å; V171-I174 PolarHBondContact O-N 3.03Å; I174-T176 PolarHBondContact O-N 3.4Å
175G79.3Confident91Very high76 Ų7637.7 Ų37.778%0.78423%0.229SC*.SBendtrans725.917500000115.1A173A173-G175 PolarHBondContact O-N 3.09Å
176T81.8Confident91Very high76 Ų7639.2 Ų39.247%0.46624%0.236SC..SBendtrans-92.7-10.8-178.661.50000113.4W172 I174 K178W172-T176 VanDerWaalsContact O-CG2 3.31Å; W172-T176 WeakPolarHBondContact O-CG2 3.47Å; W172-T176 PolarHBondContact O-OG1 2.87Å; I174-T176 PolarHBondContact O-N 3.4Å; T176-K178 PolarHBondContact O-N 2.93Å; T176-K178 VanDerWaalsContact O-N 3.14Å; T176-K178 WeakPolarHBondContact OG1-CB 3.37Å; T176-K178 PolarHBondContact OG1-N 3.33Å
177G78.2Confident91Very high66 Ų6644.6 Ų44.668%0.6826%0.261SS*.SBendtrans71.7-7.2-169.400000113.7V179 S215G177-V179 PolarHBondContact O-N 3.18Å; G177-S215 PolarHBondContact N-OG 2.77Å
178K81.8Confident90.9Very high141 Ų14145 Ų4561%0.61326%0.263SS*.PPolyproline II helixtrans-80.9117.3169.9-61.5-176.4179.3-178.90107.7A173 T176 S215A173-K178 WeakPolarHBondContact CA-O 3.28Å; A173-K178 VanDerWaalsContact CB-O 3.28Å; A173-K178 WeakPolarHBondContact CB-O 3.36Å; T176-K178 PolarHBondContact O-N 2.93Å; T176-K178 VanDerWaalsContact O-N 3.14Å; T176-K178 WeakPolarHBondContact OG1-CB 3.37Å; T176-K178 PolarHBondContact OG1-N 3.33Å; K178-S215 PolarHBondContact O-OG 2.85Å
179V82.3Confident90.9Very high55 Ų5545 Ų4533%0.33326%0.263SS..PPolyproline II helixtrans-99141.8173.968.50000108.7G177 Y212 L224G177-V179 PolarHBondContact O-N 3.18Å; V179-Y212 HydrophobicContact CG2-CE1 4.09Å; V179-L224 HydrophobicContact CG2-CD1 4.3Å
180A87.6Confident91Very high1 Ų146.9 Ų46.91%0.00827%0.274CS..PPolyproline II helixtrans-63139.1167.300000108.2W172 Q184 Y212W172-A180 HydrophobicContact CH2-CB 3.71Å; W172-A180 HydrophobicContact CZ2-CB 4.4Å; W172-A180 HydrophobicContact CZ3-CB 4.43Å; A180-Q184 HydrophobicContact CB-CB 4.05Å; A180-Y212 HydrophobicContact CB-CE2 3.93Å; A180-Y212 VanDerWaalsContact CB-OH 3.31Å; A180-Y212 WeakPolarHBondContact CB-OH 3.19Å; A180-Y212 PolarHBondContact N-OH 2.75Å
181T94.2Very high91.2Very high62 Ų6248.7 Ų48.738%0.3828%0.282SS..PPolyproline II helixtrans-60.1154.117368.90000109.4Q183 Q184 A185T181-Q183 PolarHBondContact O-N 2.67Å; T181-Q183 VanDerWaalsContact O-N 3.08Å; T181-Q184 WeakPolarHBondContact O-CB 3.45Å; T181-Q184 PolarHBondContact O-N 3.11Å; T181-Q184 WeakPolarHBondContact OG1-CG 3.42Å; T181-Q184 PolarHBondContact OG1-N 2.92Å; T181-A185 PolarHBondContact O-N 2.79Å
182P95.6Very high91.5Very high21 Ų2146.9 Ų46.914%0.13627%0.271CS..Hα-helixtrans-52.3-35.2176.2-27.334.9000112.8A185 Q186 E223 L224 Q227P182-A185 PolarHBondContact O-N 2.88Å; P182-Q186 WeakPolarHBondContact O-CB 3.34Å; P182-Q186 PolarHBondContact O-N 3.49Å; P182-E223 HydrophobicContact CG-CB 4.06Å; P182-L224 HydrophobicContact CB-CD2 4.43Å; P182-L224 HydrophobicContact CG-CD2 4.4Å; P182-Q227 HydrophobicContact CB-CG 3.88Å; P182-Q227 WeakPolarHBondContact O-CG 3.28Å
183Q96.7Very high91.7Very high125 Ų12546.2 Ų46.258%0.58427%0.269SS*.Hα-helixtrans-68.4-41.6176.4-64.873.92100112.4T181 Q186 E187T181-Q183 PolarHBondContact O-N 2.67Å; T181-Q183 VanDerWaalsContact O-N 3.08Å; Q183-Q186 PolarHBondContact O-N 3.19Å; Q183-E187 WeakPolarHBondContact O-CB 3.43Å; Q183-E187 PolarHBondContact O-N 3.38Å
184Q95.2Very high92.2Very high58 Ų5852.4 Ų52.427%0.27130%0.295SS..Hα-helixtrans-64-41.2175.6-75173.9-31.500111.9A180 T181 V188A180-Q184 HydrophobicContact CB-CB 4.05Å; T181-Q184 WeakPolarHBondContact O-CB 3.45Å; T181-Q184 PolarHBondContact O-N 3.11Å; T181-Q184 WeakPolarHBondContact OG1-CG 3.42Å; T181-Q184 PolarHBondContact OG1-N 2.92Å; Q184-V188 PolarHBondContact O-N 3.14Å
185A96.7Very high93Very high0 Ų052.3 Ų52.30%029%0.293CS..Hα-helixtrans-64-47.2174.400000110.9T181 P182 E187 V188 H189 Y212 L224 V230T181-A185 PolarHBondContact O-N 2.79Å; P182-A185 PolarHBondContact O-N 2.88Å; A185-E187 VanDerWaalsContact C-N 3.35Å; A185-E187 PolarHBondContact O-N 2.88Å; A185-V188 PolarHBondContact O-N 3.47Å; A185-H189 WeakPolarHBondContact O-CB 3.38Å; A185-H189 PolarHBondContact O-CD2 2.97Å; A185-H189 PolarHBondContact O-N 3.21Å; A185-Y212 HydrophobicContact CB-CD2 4.02Å; A185-Y212 HydrophobicContact CB-CE2 4.29Å; A185-Y212 HydrophobicContact CB-CG 4.39Å; A185-L224 HydrophobicContact CB-CD2 4.13Å; A185-V230 HydrophobicContact CB-CG2 4.37Å
186Q98.1Very high93.8Very high33 Ų3348.7 Ų48.715%0.15426%0.256CS..Hα-helixtrans-60.5-40.8178.5175.651.945.700112.8P182 Q183 H189 N190 Q227 D229P182-Q186 WeakPolarHBondContact O-CB 3.34Å; P182-Q186 PolarHBondContact O-N 3.49Å; Q183-Q186 PolarHBondContact O-N 3.19Å; Q186-H189 PolarHBondContact O-N 2.87Å; Q186-N190 WeakPolarHBondContact O-CB 3.32Å; Q186-N190 PolarHBondContact O-N 3.29Å; Q186-Q227 HydrophobicContact CB-CB 4.07Å; Q186-Q227 HydrophobicContact CB-CG 4.13Å; Q186-Q227 HydrophobicContact CG-CB 4.48Å; Q186-D229 PolarHBondContact NE2-OD2 2.99Å
187E97.9Very high94.6Very high113 Ų11352 Ų5253%0.52826%0.264SS..Hα-helixtrans-57.6-53.6177.9-178.5-176-17500111.1R135 Q183 A185 N190 F191R135-E187 IonicContact NH2-OE2 3.97Å; Q183-E187 WeakPolarHBondContact O-CB 3.43Å; Q183-E187 PolarHBondContact O-N 3.38Å; A185-E187 VanDerWaalsContact C-N 3.35Å; A185-E187 PolarHBondContact O-N 2.88Å; E187-N190 PolarHBondContact O-N 3.13Å; E187-F191 PolarHBondContact O-N 3.35Å
188V98.1Very high95.5Very high8 Ų854.3 Ų54.35%0.04827%0.265CS..Hα-helixtrans-68-40.9-179-178.30000111.2T140 Y168 Q184 A185 N190 F191 L192T140-V188 HydrophobicContact CG2-CG2 3.92Å; Y168-V188 HydrophobicContact CD1-CB 4.08Å; Y168-V188 HydrophobicContact CD1-CG1 3.95Å; Y168-V188 HydrophobicContact CD2-CG1 3.85Å; Y168-V188 HydrophobicContact CE1-CB 3.66Å; Y168-V188 HydrophobicContact CE1-CG1 3.76Å; Y168-V188 HydrophobicContact CE1-CG2 3.95Å; Y168-V188 HydrophobicContact CE2-CB 4.43Å; Y168-V188 HydrophobicContact CE2-CG1 3.68Å; Y168-V188 HydrophobicContact CG-CG1 3.99Å; Q184-V188 PolarHBondContact O-N 3.14Å; A185-V188 PolarHBondContact O-N 3.47Å; V188-N190 VanDerWaalsContact C-N 3.33Å; V188-N190 PolarHBondContact O-N 2.99Å; V188-F191 WeakPolarHBondContact O-CB 3.37Å; V188-F191 PolarHBondContact O-N 3.3Å; V188-L192 HydrophobicContact CG1-CD1 4.18Å; V188-L192 HydrophobicContact CG1-CG 4.3Å; V188-L192 VanDerWaalsContact O-CG 3.28Å; V188-L192 WeakPolarHBondContact O-CG 3.31Å; V188-L192 PolarHBondContact O-N 3.44Å
189H98.5Very high96.2Very high0 Ų052 Ų520%026%0.259CS..Hα-helixtrans-63-39.8176.5-80-127.1000112.5Y168 A185 Q186 L192 R193 I210 D229 V230Y168-H189 AromaticContact CD1-CD2 3.72Å; Y168-H189 AromaticContact CD1-NE2 3.73Å; A185-H189 WeakPolarHBondContact O-CB 3.38Å; A185-H189 PolarHBondContact O-CD2 2.97Å; A185-H189 PolarHBondContact O-N 3.21Å; Q186-H189 PolarHBondContact O-N 2.87Å; H189-L192 PolarHBondContact O-N 3.36Å; H189-R193 WeakPolarHBondContact O-CB 3.19Å; H189-R193 PolarHBondContact O-N 3.1Å; H189-I210 PolarHBondContact CE1-O 3.09Å; H189-I210 WeakPolarHBondContact ND1-CG2 3.21Å; H189-I210 PolarHBondContact ND1-O 3.38Å; H189-D229 HydrophobicContact CB-CB 3.72Å; H189-D229 PolarHBondContact ND1-O 2.85Å; H189-V230 HydrophobicContact CB-CG2 4.49Å; H189-V230 WeakPolarHBondContact ND1-CA 3.49Å
190N98.3Very high96.8Very high50 Ų5050 Ų5027%0.26725%0.249SC..Hα-helixtrans-63.4-44.4175.5-173.8-103.8000111.4Q186 E187 V188 R193 K194 D229Q186-N190 WeakPolarHBondContact O-CB 3.32Å; Q186-N190 PolarHBondContact O-N 3.29Å; E187-N190 PolarHBondContact O-N 3.13Å; V188-N190 VanDerWaalsContact C-N 3.33Å; V188-N190 PolarHBondContact O-N 2.99Å; N190-R193 PolarHBondContact O-N 2.9Å; N190-K194 WeakPolarHBondContact O-CG 3.28Å; N190-K194 PolarHBondContact O-N 3.38Å; N190-K194 WeakPolarHBondContact OD1-CE 3.48Å; N190-K194 PolarHBondContact OD1-NZ 2.79Å; N190-D229 WeakPolarHBondContact CB-OD2 3.29Å; N190-D229 PolarHBondContact ND2-OD2 3.01Å
191F98.5Very high97.2Very high37 Ų3752.6 Ų52.616%0.16227%0.265CS..Hα-helixtrans-57.9-49.8174.1166.4-99.5000111.7E141 V145 E187 V188 R193 K194 W195E141-F191 HydrophobicContact CB-CD1 4.35Å; E141-F191 HydrophobicContact CB-CD2 4.48Å; E141-F191 HydrophobicContact CB-CE1 3.75Å; E141-F191 HydrophobicContact CB-CE2 3.9Å; E141-F191 HydrophobicContact CB-CZ 3.49Å; E141-F191 VanDerWaalsContact CB-CZ 3.49Å; E141-F191 HydrophobicContact CG-CD1 3.9Å; E141-F191 HydrophobicContact CG-CD2 3.85Å; E141-F191 HydrophobicContact CG-CE1 3.81Å; E141-F191 HydrophobicContact CG-CE2 3.77Å; E141-F191 HydrophobicContact CG-CG 3.91Å; E141-F191 HydrophobicContact CG-CZ 3.74Å; E141-F191 VanDerWaalsContact OE1-CD2 3.28Å; E141-F191 WeakPolarHBondContact OE1-CD2 3.21Å; E141-F191 VanDerWaalsContact OE2-CE2 3.25Å; E141-F191 WeakPolarHBondContact OE2-CE2 3.47Å; V145-F191 HydrophobicContact CG2-CE1 3.66Å; V145-F191 HydrophobicContact CG2-CZ 3.38Å; E187-F191 PolarHBondContact O-N 3.35Å; V188-F191 WeakPolarHBondContact O-CB 3.37Å; V188-F191 PolarHBondContact O-N 3.3Å; F191-R193 VanDerWaalsContact C-N 3.32Å; F191-R193 PolarHBondContact O-N 3.41Å; F191-K194 WeakPolarHBondContact O-CB 3.47Å; F191-K194 PolarHBondContact O-N 3.44Å; F191-W195 PolarHBondContact O-N 3.14Å
192L98.6Very high97.2Very high0 Ų057.2 Ų57.20%029%0.288CS..Hα-helixtrans-59.8-42.4178-69.1174.2000111.6I128 C144 L148 V188 H189 K194 W195 F196 I210I128-L192 HydrophobicContact CD1-CD1 3.84Å; I128-L192 HydrophobicContact CD1-CD2 3.73Å; I128-L192 HydrophobicContact CD1-CG 4.46Å; C144-L192 HydrophobicContact CB-CD2 4.14Å; L148-L192 HydrophobicContact CD2-CD2 4.03Å; V188-L192 HydrophobicContact CG1-CD1 4.18Å; V188-L192 HydrophobicContact CG1-CG 4.3Å; V188-L192 VanDerWaalsContact O-CG 3.28Å; V188-L192 WeakPolarHBondContact O-CG 3.31Å; V188-L192 PolarHBondContact O-N 3.44Å; H189-L192 PolarHBondContact O-N 3.36Å; L192-K194 PolarHBondContact O-N 2.92Å; L192-W195 WeakPolarHBondContact O-CB 3.31Å; L192-W195 PolarHBondContact O-N 2.71Å; L192-W195 VanDerWaalsContact O-N 3.14Å; L192-F196 WeakPolarHBondContact O-CD2 3.43Å; L192-F196 PolarHBondContact O-N 3.3Å; L192-I210 HydrophobicContact CB-CD1 3.87Å; L192-I210 HydrophobicContact CD1-CG2 3.97Å
193R98.1Very high97.1Very high21 Ų2157.4 Ų57.48%0.07929%0.294CS..Hα-helixtrans-64.1-40.4177.6-163.2176.4-58.6-74.4-4.4112R5 H189 N190 F191 W195 F196 K197 D205 I208 I210 D229 D231R5-R193 VanDerWaalsContact CZ-CZ 3.49Å; H189-R193 WeakPolarHBondContact O-CB 3.19Å; H189-R193 PolarHBondContact O-N 3.1Å; N190-R193 PolarHBondContact O-N 2.9Å; F191-R193 VanDerWaalsContact C-N 3.32Å; F191-R193 PolarHBondContact O-N 3.41Å; R193-W195 VanDerWaalsContact C-N 3.32Å; R193-W195 PolarHBondContact O-N 3.41Å; R193-F196 WeakPolarHBondContact O-CB 3.35Å; R193-F196 PolarHBondContact O-N 3.48Å; R193-K197 PolarHBondContact O-N 3.46Å; R193-D205 HydrophobicContact CG-CB 4.33Å; R193-D205 WeakPolarHBondContact CG-O 3.47Å; R193-D205 PolarHBondContact NH1-O 2.85Å; R193-I208 PolarHBondContact NH1-O 3.41Å; R193-I208 VanDerWaalsContact NH1-O 3.13Å; R193-I210 HydrophobicContact CB-CD1 4.18Å; R193-D229 VanDerWaalsContact CD-OD1 3.28Å; R193-D229 WeakPolarHBondContact CD-OD1 3.31Å; R193-D229 IonicContact CZ-OD1 3.64Å; R193-D229 IonicContact NE-OD1 3.18Å; R193-D229 PolarHBondContact NE-OD1 3.45Å; R193-D229 PolarHBondContact NH2-O 3.2Å; R193-D229 VanDerWaalsContact NH2-O 3.09Å; R193-D229 IonicContact NH2-OD1 2.86Å; R193-D231 IonicContact CZ-OD2 4Å; R193-D231 IonicContact NH1-OD2 3.33Å; R193-D231 IonicContact NH2-OD1 3.1Å; R193-D231 IonicContact NH2-OD2 2.77Å; R193-D231 PolarHBondContact NH2-OD2 3.5Å
194K98.3Very high97Very high129 Ų12951.8 Ų51.856%0.56127%0.268SS*.Hα-helixtrans-62-40171.7-73.8168.3173.8161.20111.7N190 F191 L192 K197 T198N190-K194 WeakPolarHBondContact O-CG 3.28Å; N190-K194 PolarHBondContact O-N 3.38Å; N190-K194 WeakPolarHBondContact OD1-CE 3.48Å; N190-K194 PolarHBondContact OD1-NZ 2.79Å; F191-K194 WeakPolarHBondContact O-CB 3.47Å; F191-K194 PolarHBondContact O-N 3.44Å; L192-K194 PolarHBondContact O-N 2.92Å; K194-K197 WeakPolarHBondContact O-CB 3.31Å; K194-K197 PolarHBondContact O-N 3.29Å; K194-T198 PolarHBondContact O-N 3.3Å; K194-T198 PolarHBondContact O-OG1 2.95Å
195W98.4Very high97.1Very high27 Ų2750 Ų5010%0.10226%0.26CS..Hα-helixtrans-60.6-46175.4-174.493.7000111.3V145 L148 K149 A152 F191 L192 R193 K197 T198 N199V145-W195 HydrophobicContact CG2-CG 4.37Å; L148-W195 HydrophobicContact CD2-CD2 3.99Å; L148-W195 HydrophobicContact CD2-CE3 3.38Å; L148-W195 HydrophobicContact CD2-CH2 4.43Å; L148-W195 HydrophobicContact CD2-CZ3 3.65Å; L148-W195 HydrophobicContact CG-CE3 4.01Å; L148-W195 HydrophobicContact CG-CH2 4.16Å; L148-W195 HydrophobicContact CG-CZ3 3.75Å; K149-W195 HydrophobicContact CB-CZ2 4.09Å; K149-W195 HydrophobicContact CG-CZ2 4.48Å; A152-W195 HydrophobicContact CB-CH2 3.62Å; A152-W195 HydrophobicContact CB-CZ3 4.15Å; F191-W195 PolarHBondContact O-N 3.14Å; L192-W195 WeakPolarHBondContact O-CB 3.31Å; L192-W195 PolarHBondContact O-N 2.71Å; L192-W195 VanDerWaalsContact O-N 3.14Å; R193-W195 VanDerWaalsContact C-N 3.32Å; R193-W195 PolarHBondContact O-N 3.41Å; W195-K197 VanDerWaalsContact C-N 3.32Å; W195-K197 PolarHBondContact O-N 3.24Å; W195-T198 PolarHBondContact O-N 3.05Å; W195-N199 HydrophobicContact CD2-CB 4.06Å; W195-N199 HydrophobicContact CE3-CB 4.19Å; W195-N199 HydrophobicContact CH2-CB 3.83Å; W195-N199 HydrophobicContact CZ2-CB 3.7Å; W195-N199 HydrophobicContact CZ3-CB 4.07Å; W195-N199 PolarHBondContact NE1-ND2 3.43Å; W195-N199 WeakPolarHBondContact O-CB 3.36Å; W195-N199 PolarHBondContact O-N 3.45Å; W195-N199 PolarHBondContact O-ND2 2.9Å
196F97.8Very high97Very high0 Ų055.7 Ų55.70%029%0.286CS..Hα-helixtrans-58.4-43.6174.9-84.6-69000112.1L148 W161 V166 L192 R193 T198 N199 A200 V204 D205 I208 I210L148-F196 HydrophobicContact CD1-CE1 4.47Å; L148-F196 HydrophobicContact CD1-CE2 4.43Å; L148-F196 HydrophobicContact CD1-CZ 3.79Å; L148-F196 HydrophobicContact CD2-CD2 4.44Å; L148-F196 HydrophobicContact CD2-CE2 3.81Å; L148-F196 HydrophobicContact CD2-CZ 3.87Å; L148-F196 HydrophobicContact CG-CZ 4.37Å; W161-F196 HydrophobicContact CE3-CE1 4.04Å; W161-F196 AromaticContact CH2-CE1 3.49Å; W161-F196 HydrophobicContact CH2-CE1 3.49Å; W161-F196 VanDerWaalsContact CH2-CE1 3.49Å; W161-F196 HydrophobicContact CH2-CZ 4.08Å; W161-F196 HydrophobicContact CZ2-CE1 4.05Å; W161-F196 AromaticContact CZ3-CE1 3.49Å; W161-F196 HydrophobicContact CZ3-CE1 3.49Å; W161-F196 VanDerWaalsContact CZ3-CE1 3.49Å; W161-F196 AromaticContact CZ3-CZ 3.86Å; W161-F196 HydrophobicContact CZ3-CZ 3.86Å; V166-F196 HydrophobicContact CG2-CE2 4.11Å; V166-F196 HydrophobicContact CG2-CZ 3.76Å; L192-F196 WeakPolarHBondContact O-CD2 3.43Å; L192-F196 PolarHBondContact O-N 3.3Å; R193-F196 WeakPolarHBondContact O-CB 3.35Å; R193-F196 PolarHBondContact O-N 3.48Å; F196-T198 PolarHBondContact O-N 3.44Å; F196-N199 PolarHBondContact O-N 3.46Å; F196-A200 HydrophobicContact CD1-CB 3.8Å; F196-A200 VanDerWaalsContact O-CB 3.29Å; F196-A200 WeakPolarHBondContact O-CB 3.46Å; F196-A200 PolarHBondContact O-N 2.61Å; F196-V204 HydrophobicContact CD1-CG1 3.89Å; F196-V204 HydrophobicContact CE1-CG1 4.32Å; F196-D205 HydrophobicContact CB-CB 3.79Å; F196-I208 HydrophobicContact CD2-CG2 3.94Å; F196-I208 HydrophobicContact CE1-CG1 4.38Å; F196-I208 HydrophobicContact CE2-CG1 4.2Å; F196-I208 HydrophobicContact CE2-CG2 4.22Å; F196-I208 HydrophobicContact CG-CG2 4.15Å; F196-I208 HydrophobicContact CZ-CD1 4.44Å; F196-I208 HydrophobicContact CZ-CG1 4.02Å; F196-I210 HydrophobicContact CD2-CD1 4.27Å; F196-I210 HydrophobicContact CE2-CD1 4.35Å
197K97.1Very high96.9Very high146 Ų14660.8 Ų60.864%0.63531%0.308SS*.Hα-helixtrans-59.1-34.7-180-174.1171.7-177.7171.90112.5R193 K194 W195 D205R193-K197 PolarHBondContact O-N 3.46Å; K194-K197 WeakPolarHBondContact O-CB 3.31Å; K194-K197 PolarHBondContact O-N 3.29Å; W195-K197 VanDerWaalsContact C-N 3.32Å; W195-K197 PolarHBondContact O-N 3.24Å; K197-D205 HydrophobicContact CB-CB 3.84Å; K197-D205 WeakPolarHBondContact CB-OD2 3.38Å; K197-D205 WeakPolarHBondContact CG-OD2 3.38Å
198T97.4Very high96.9Very high113 Ų11355.7 Ų55.769%0.69328%0.284SS*.Hα-helixtrans-87.7-34.6-178.5-58.90000113K194 W195 F196K194-T198 PolarHBondContact O-N 3.3Å; K194-T198 PolarHBondContact O-OG1 2.95Å; W195-T198 PolarHBondContact O-N 3.05Å; F196-T198 PolarHBondContact O-N 3.44Å
199N96.9Very high96.9Very high93 Ų9356.6 Ų56.650%0.49729%0.287SS..Hα-helixtrans-115.5-12.3-164.6-61.9-86.8000114.7W195 F196W195-N199 HydrophobicContact CD2-CB 4.06Å; W195-N199 HydrophobicContact CE3-CB 4.19Å; W195-N199 HydrophobicContact CH2-CB 3.83Å; W195-N199 HydrophobicContact CZ2-CB 3.7Å; W195-N199 HydrophobicContact CZ3-CB 4.07Å; W195-N199 PolarHBondContact NE1-ND2 3.43Å; W195-N199 WeakPolarHBondContact O-CB 3.36Å; W195-N199 PolarHBondContact O-N 3.45Å; W195-N199 PolarHBondContact O-ND2 2.9Å; F196-N199 PolarHBondContact O-N 3.46Å
200A95.9Very high96.9Very high14 Ų1456.6 Ų56.612%0.11629%0.287CS..SBendtrans-104.6162.6177.800000111.3F196 V204F196-A200 HydrophobicContact CD1-CB 3.8Å; F196-A200 VanDerWaalsContact O-CB 3.29Å; F196-A200 WeakPolarHBondContact O-CB 3.46Å; F196-A200 PolarHBondContact O-N 2.61Å; A200-V204 HydrophobicContact CB-CB 3.91Å; A200-V204 HydrophobicContact CB-CG1 3.86Å; A200-V204 HydrophobicContact CB-CG2 4.42Å
201P95.2Very high97Very high55 Ų5554.2 Ų54.236%0.35727%0.274SS..SBendtrans-51.5146172.8-28.135.6000112.6A158 G203 V204A158-P201 HydrophobicContact CB-CB 3.96Å; P201-G203 PolarHBondContact O-N 3.28Å; P201-V204 HydrophobicContact CB-CG2 4.17Å; P201-V204 WeakPolarHBondContact O-CB 3.23Å; P201-V204 VanDerWaalsContact O-CG2 3.23Å; P201-V204 WeakPolarHBondContact O-CG2 3.27Å; P201-V204 PolarHBondContact O-N 3.05Å; P201-V204 VanDerWaalsContact O-N 3.11Å
202N93.8Very high96.9Very high159 Ų15952.5 Ų52.585%0.8527%0.267SS*.THydrogen-bonded Turntrans-49131.5-176.9-70.5-11.6000112.8V204N202-V204 VanDerWaalsContact C-N 3.31Å; N202-V204 PolarHBondContact O-N 3.02Å
203G93Very high96.8Very high25 Ų2552.5 Ų52.526%0.25827%0.267SS..THydrogen-bonded Turntrans82.9-2.9177.300000115.1P201 D205P201-G203 PolarHBondContact O-N 3.28Å; G203-D205 VanDerWaalsContact C-N 3.35Å
204V96.1Very high96.3Very high7 Ų751.7 Ų51.74%0.04227%0.265CS..Hα-helixtrans-63.8-41.3172169.20000110.8A158 W161 F196 A200 P201 N202 E206 K207 I208A158-V204 HydrophobicContact CB-CG2 4.25Å; W161-V204 HydrophobicContact CB-CG1 3.98Å; W161-V204 HydrophobicContact CB-CG2 3.87Å; W161-V204 HydrophobicContact CD2-CG1 3.97Å; W161-V204 HydrophobicContact CE3-CG1 4.38Å; W161-V204 HydrophobicContact CG-CG1 3.8Å; W161-V204 HydrophobicContact CG-CG2 3.89Å; F196-V204 HydrophobicContact CD1-CG1 3.89Å; F196-V204 HydrophobicContact CE1-CG1 4.32Å; A200-V204 HydrophobicContact CB-CB 3.91Å; A200-V204 HydrophobicContact CB-CG1 3.86Å; A200-V204 HydrophobicContact CB-CG2 4.42Å; P201-V204 HydrophobicContact CB-CG2 4.17Å; P201-V204 WeakPolarHBondContact O-CB 3.23Å; P201-V204 VanDerWaalsContact O-CG2 3.23Å; P201-V204 WeakPolarHBondContact O-CG2 3.27Å; P201-V204 PolarHBondContact O-N 3.05Å; P201-V204 VanDerWaalsContact O-N 3.11Å; N202-V204 VanDerWaalsContact C-N 3.31Å; N202-V204 PolarHBondContact O-N 3.02Å; V204-E206 VanDerWaalsContact C-N 3.26Å; V204-E206 PolarHBondContact O-N 3.24Å; V204-K207 PolarHBondContact O-N 2.84Å; V204-K207 VanDerWaalsContact O-N 3.15Å; V204-I208 HydrophobicContact CG1-CB 4.27Å; V204-I208 VanDerWaalsContact O-CB 3.25Å; V204-I208 WeakPolarHBondContact O-CB 3.06Å; V204-I208 WeakPolarHBondContact O-CG2 3.47Å; V204-I208 PolarHBondContact O-N 3.36Å
205D96.3Very high96Very high21 Ų2146.9 Ų46.911%0.11225%0.247CC..Hα-helixtrans-60.3-32.5-179.665.2-54.4000113.9R193 F196 K197 G203R193-D205 HydrophobicContact CG-CB 4.33Å; R193-D205 WeakPolarHBondContact CG-O 3.47Å; R193-D205 PolarHBondContact NH1-O 2.85Å; F196-D205 HydrophobicContact CB-CB 3.79Å; K197-D205 HydrophobicContact CB-CB 3.84Å; K197-D205 WeakPolarHBondContact CB-OD2 3.38Å; K197-D205 WeakPolarHBondContact CG-OD2 3.38Å; G203-D205 VanDerWaalsContact C-N 3.35Å
206E95.1Very high95.9Very high118 Ų11846 Ų4655%0.55125%0.245SC*.Hα-helixtrans-76-29.7179-63-176.2168.300112.8R5 V204R5-E206 VanDerWaalsContact CD-O 3.29Å; R5-E206 WeakPolarHBondContact CD-O 3.21Å; R5-E206 VanDerWaalsContact CG-O 3.26Å; R5-E206 WeakPolarHBondContact CG-O 3.48Å; R5-E206 PolarHBondContact NH1-O 3.49Å; V204-E206 VanDerWaalsContact C-N 3.26Å; V204-E206 PolarHBondContact O-N 3.24Å
207K96.2Very high95.8Very high141 Ų14148.2 Ų48.261%0.61326%0.259SS*.Hα-helixtrans-106.8-27.4-170.9-64.1-176.8-177.1179.70114.2V204 R209V204-K207 PolarHBondContact O-N 2.84Å; V204-K207 VanDerWaalsContact O-N 3.15Å; K207-R209 PolarHBondContact O-N 3.3Å
208I97.6Very high95.8Very high5 Ų542.3 Ų42.33%0.02624%0.237CC..  trans-59.2131.9178.2-165.579.1000108.8R5 W161 V164 R193 F196 V204 I210R5-I208 WeakPolarHBondContact CD-O 3.4Å; W161-I208 HydrophobicContact CE3-CD1 3.61Å; W161-I208 HydrophobicContact CZ3-CD1 4.1Å; V164-I208 HydrophobicContact CB-CD1 4.34Å; V164-I208 HydrophobicContact CG1-CD1 4.42Å; V164-I208 WeakPolarHBondContact O-CD1 3.38Å; R193-I208 PolarHBondContact NH1-O 3.41Å; R193-I208 VanDerWaalsContact NH1-O 3.13Å; F196-I208 HydrophobicContact CD2-CG2 3.94Å; F196-I208 HydrophobicContact CE1-CG1 4.38Å; F196-I208 HydrophobicContact CE2-CG1 4.2Å; F196-I208 HydrophobicContact CE2-CG2 4.22Å; F196-I208 HydrophobicContact CG-CG2 4.15Å; F196-I208 HydrophobicContact CZ-CD1 4.44Å; F196-I208 HydrophobicContact CZ-CG1 4.02Å; V204-I208 HydrophobicContact CG1-CB 4.27Å; V204-I208 VanDerWaalsContact O-CB 3.25Å; V204-I208 WeakPolarHBondContact O-CB 3.06Å; V204-I208 WeakPolarHBondContact O-CG2 3.47Å; V204-I208 PolarHBondContact O-N 3.36Å; I208-I210 HydrophobicContact CG2-CD1 4.48Å; I208-I210 HydrophobicContact CG2-CG1 4.26Å
209R98.5Very high95.7Very high28 Ų2841.6 Ų41.611%0.10624%0.242CC..EExtended strand (participates in β ladder)trans-90.6124.6173.2-68.3160.8-69.2177.10.7108.2K6 E39 V165 V166 K207 D231K6-R209 WeakPolarHBondContact O-CD 3.13Å; E39-R209 IonicContact OE1-NH1 3.34Å; E39-R209 IonicContact OE2-CZ 2.72Å; E39-R209 IonicContact OE2-NH1 3.74Å; E39-R209 PolarHBondContact OE2-NH1 2.9Å; V165-R209 HydrophobicContact CG1-CB 4.26Å; V165-R209 HydrophobicContact CG2-CB 4.25Å; V166-R209 PolarHBondContact N-O 3.22Å; K207-R209 PolarHBondContact O-N 3.3Å; R209-D231 WeakPolarHBondContact CA-OD2 3.49Å; R209-D231 HydrophobicContact CB-CB 3.99Å; R209-D231 HydrophobicContact CG-CB 4.21Å
210I98.6Very high95.6Very high0 Ų038.4 Ų38.40%023%0.226CC..EExtended strand (participates in β ladder)trans-112.2110174.2-47.3177.8000107.2V166 H189 L192 R193 F196 I208 D231V166-I210 CarbonylContact O-C 3.38Å; V166-I210 WeakPolarHBondContact O-CA 3.48Å; H189-I210 PolarHBondContact CE1-O 3.09Å; H189-I210 WeakPolarHBondContact ND1-CG2 3.21Å; H189-I210 PolarHBondContact ND1-O 3.38Å; L192-I210 HydrophobicContact CB-CD1 3.87Å; L192-I210 HydrophobicContact CD1-CG2 3.97Å; R193-I210 HydrophobicContact CB-CD1 4.18Å; F196-I210 HydrophobicContact CD2-CD1 4.27Å; F196-I210 HydrophobicContact CE2-CD1 4.35Å; I208-I210 HydrophobicContact CG2-CD1 4.48Å; I208-I210 HydrophobicContact CG2-CG1 4.26Å; I210-D231 PolarHBondContact N-OD2 3.26Å; I210-D231 PolarHBondContact O-N 2.96Å
211I98.7Very high95.7Very high0 Ų037.9 Ų37.90%022%0.221CC..EExtended strand (participates in β ladder)trans-102.9147.9-17766178.3000110.8F8 I125 V165 V166 A167 Y168 G232 L234F8-I211 HydrophobicContact CB-CG2 3.98Å; F8-I211 HydrophobicContact CD1-CD1 3.85Å; F8-I211 HydrophobicContact CD1-CG2 4.03Å; F8-I211 HydrophobicContact CE1-CD1 4.06Å; F8-I211 HydrophobicContact CG-CG2 4.39Å; I125-I211 HydrophobicContact CG2-CD1 4.15Å; V165-I211 HydrophobicContact CG1-CB 4.49Å; V165-I211 HydrophobicContact CG1-CD1 3.78Å; V165-I211 HydrophobicContact CG1-CG1 3.9Å; V165-I211 HydrophobicContact CG1-CG2 3.9Å; V166-I211 PolarHBondContact O-N 3.17Å; A167-I211 CarbonylContact C-O 3.59Å; A167-I211 WeakPolarHBondContact CA-O 3.38Å; A167-I211 HydrophobicContact CB-CD1 4.04Å; A167-I211 HydrophobicContact CB-CG1 3.69Å; Y168-I211 PolarHBondContact N-O 2.94Å; I211-G232 CarbonylContact C-O 3.58Å; I211-G232 WeakPolarHBondContact CA-O 3.16Å; I211-G232 WeakPolarHBondContact CB-O 3.28Å; I211-L234 HydrophobicContact CD1-CB 3.89Å; I211-L234 HydrophobicContact CG1-CB 4.44Å
212Y98.2Very high95.7Very high0 Ų041.7 Ų41.70%023%0.232CC..EExtended strand (participates in β ladder)trans-94.6129.7178.4173.6-110000110.5Y168 P170 V179 A180 A185 G214 V216 L224 G232 F233 L234Y168-Y212 HydrophobicContact CD1-CD2 4.21Å; P170-Y212 HydrophobicContact CG-CE2 3.86Å; V179-Y212 HydrophobicContact CG2-CE1 4.09Å; A180-Y212 HydrophobicContact CB-CE2 3.93Å; A180-Y212 VanDerWaalsContact CB-OH 3.31Å; A180-Y212 WeakPolarHBondContact CB-OH 3.19Å; A180-Y212 PolarHBondContact N-OH 2.75Å; A185-Y212 HydrophobicContact CB-CD2 4.02Å; A185-Y212 HydrophobicContact CB-CE2 4.29Å; A185-Y212 HydrophobicContact CB-CG 4.39Å; Y212-G214 WeakPolarHBondContact CE1-O 3.19Å; Y212-G214 PolarHBondContact OH-O 3.14Å; Y212-V216 HydrophobicContact CD1-CG2 3.56Å; Y212-V216 HydrophobicContact CE1-CG2 3.74Å; Y212-L224 HydrophobicContact CD1-CD1 4.01Å; Y212-L224 HydrophobicContact CD1-CD2 4.17Å; Y212-L224 HydrophobicContact CE1-CD1 3.98Å; Y212-L224 HydrophobicContact CE1-CD2 4.23Å; Y212-G232 PolarHBondContact N-O 3.37Å; Y212-F233 CarbonylContact O-C 3.53Å; Y212-F233 WeakPolarHBondContact O-CA 3.31Å; Y212-L234 PolarHBondContact O-N 3.2Å
213G95.3Very high95.9Very high1 Ų139.8 Ų39.81%0.0122%0.218CC..  trans-125.996173.800000112.5Y168 E169 L234Y168-G213 PolarHBondContact O-N 3.39Å; E169-G213 WeakPolarHBondContact CA-O 3.12Å; E169-G213 WeakPolarHBondContact CB-O 2.99Å; E169-G213 WeakPolarHBondContact CG-O 3.48Å; G213-L234 VanDerWaalsContact CA-O 3.26Å; G213-L234 WeakPolarHBondContact CA-O 3.31Å
214G88.5Confident96Very high3 Ų338.7 Ų38.73%0.03121%0.206CC..SBendtrans-173109.8175.200000111.1A173 Y212 V216A173-G214 CarbonylContact O-C 3.54Å; Y212-G214 WeakPolarHBondContact CE1-O 3.19Å; Y212-G214 PolarHBondContact OH-O 3.14Å; G214-V216 PolarHBondContact O-N 3.43Å
215S92.2Very high96Very high28 Ų2838.5 Ų38.520%0.19621%0.206CC..SBendtrans43.837.7177.3-62.80000115.5A173 G177 K178 N220A173-S215 WeakPolarHBondContact O-CB 3.44Å; A173-S215 PolarHBondContact O-N 3.02Å; A173-S215 VanDerWaalsContact O-N 3.14Å; A173-S215 PolarHBondContact O-OG 3.02Å; G177-S215 PolarHBondContact N-OG 2.77Å; K178-S215 PolarHBondContact O-OG 2.85Å; S215-N220 PolarHBondContact O-ND2 3.08Å
216V95.6Very high96Very high8 Ų844.9 Ų44.95%0.04824%0.235CC..  trans-70.6134174.3-178.60000109.5Y212 G214 C221 L224 F233 V235 A238 I247Y212-V216 HydrophobicContact CD1-CG2 3.56Å; Y212-V216 HydrophobicContact CE1-CG2 3.74Å; G214-V216 PolarHBondContact O-N 3.43Å; V216-C221 HydrophobicContact CG1-CB 4.13Å; V216-L224 HydrophobicContact CG2-CD1 4.27Å; V216-F233 HydrophobicContact CG1-CB 4.34Å; V216-F233 HydrophobicContact CG1-CD1 4.07Å; V216-F233 HydrophobicContact CG1-CD2 4.15Å; V216-F233 HydrophobicContact CG1-CE1 4.47Å; V216-F233 HydrophobicContact CG1-CE2 4.48Å; V216-F233 HydrophobicContact CG1-CG 3.91Å; V216-F233 HydrophobicContact CG2-CB 4.42Å; V216-F233 HydrophobicContact CG2-CD1 3.93Å; V216-F233 HydrophobicContact CG2-CG 4.32Å; V216-V235 HydrophobicContact CB-CG2 4.43Å; V216-V235 HydrophobicContact CG1-CG2 4.4Å; V216-A238 WeakPolarHBondContact O-CB 3.42Å; V216-I247 HydrophobicContact CG1-CD1 4.45Å; V216-I247 HydrophobicContact CG1-CG2 4Å
217T95.9Very high96.1Very high48 Ų4841 Ų4129%0.29422%0.216SC..  trans-138.6168.2179.766.50000110.1A219 N220 C221T217-A219 PolarHBondContact O-N 2.79Å; T217-A219 PolarHBondContact OG1-N 3.03Å; T217-N220 PolarHBondContact N-OD1 3.07Å; T217-N220 PolarHBondContact O-N 3.35Å; T217-N220 PolarHBondContact O-OD1 3.49Å; T217-N220 VanDerWaalsContact O-OD1 3.05Å; T217-N220 PolarHBondContact OG1-ND2 3.35Å; T217-C221 VanDerWaalsContact O-CB 3.27Å; T217-C221 WeakPolarHBondContact O-CB 3.46Å; T217-C221 PolarHBondContact O-N 2.96Å
218A96.4Very high96.1Very high21 Ų2139 Ų3917%0.17421%0.209CC..THydrogen-bonded Turntrans-58.1-32.917400000112.6N220 C221 E243 E246A218-N220 PolarHBondContact O-N 3.42Å; A218-C221 PolarHBondContact O-SG 3.42Å; A218-E243 HydrophobicContact CB-CB 4.04Å; A218-E246 HydrophobicContact CB-CB 4.12Å; A218-E246 WeakPolarHBondContact CB-OE2 3.5Å
219A95.6Very high96.1Very high98 Ų9838.9 Ų38.981%0.8121%0.209SC*.THydrogen-bonded Turntrans-69.3-30.5-178.500000113.9T217T217-A219 PolarHBondContact O-N 2.79Å; T217-A219 PolarHBondContact OG1-N 3.03Å
220N95.8Very high96Very high27 Ų2737.6 Ų37.614%0.14420%0.204CC..THydrogen-bonded Turntrans-110.4-13.3-175.466.723.5000114.4S215 T217 A218 K222 E223 L224S215-N220 PolarHBondContact O-ND2 3.08Å; T217-N220 PolarHBondContact N-OD1 3.07Å; T217-N220 PolarHBondContact O-N 3.35Å; T217-N220 PolarHBondContact O-OD1 3.49Å; T217-N220 VanDerWaalsContact O-OD1 3.05Å; T217-N220 PolarHBondContact OG1-ND2 3.35Å; A218-N220 PolarHBondContact O-N 3.42Å; N220-K222 VanDerWaalsContact C-N 3.3Å; N220-K222 PolarHBondContact O-N 3Å; N220-E223 PolarHBondContact O-N 2.87Å; N220-L224 HydrophobicContact CB-CD1 4.42Å; N220-L224 PolarHBondContact O-N 2.82Å
221C96.7Very high96Very high2 Ų237.6 Ų37.61%0.01420%0.204CC..Hα-helixtrans-60.8-35.3-171.8660000113.6V216 T217 A218 L224 A225 F233 I247 A250V216-C221 HydrophobicContact CG1-CB 4.13Å; T217-C221 VanDerWaalsContact O-CB 3.27Å; T217-C221 WeakPolarHBondContact O-CB 3.46Å; T217-C221 PolarHBondContact O-N 2.96Å; A218-C221 PolarHBondContact O-SG 3.42Å; C221-L224 PolarHBondContact O-N 2.89Å; C221-A225 WeakPolarHBondContact O-CB 3.34Å; C221-A225 PolarHBondContact O-N 3.27Å; C221-F233 HydrophobicContact CB-CE2 3.84Å; C221-F233 HydrophobicContact CB-CZ 4.16Å; C221-F233 VanDerWaalsContact O-CZ 3.28Å; C221-F233 WeakPolarHBondContact O-CZ 3.32Å; C221-I247 HydrophobicContact CB-CB 4.47Å; C221-I247 HydrophobicContact CB-CG1 4.26Å; C221-I247 HydrophobicContact CB-CG2 4.12Å; C221-A250 HydrophobicContact CB-CB 3.97Å
222K96.6Very high96Very high135 Ų13537.6 Ų37.659%0.58720%0.204SC*.Hα-helixtrans-66.4-43.1-177.7-69-175.2178.1-179.80112.5N220 A225 Q226N220-K222 VanDerWaalsContact C-N 3.3Å; N220-K222 PolarHBondContact O-N 3Å; K222-A225 PolarHBondContact O-N 3.22Å; K222-Q226 VanDerWaalsContact O-CG 3.31Å; K222-Q226 WeakPolarHBondContact O-CG 3.25Å; K222-Q226 PolarHBondContact O-N 3.41Å
223E96.5Very high96Very high119 Ų11937.6 Ų37.656%0.55620%0.204SC*.Hα-helixtrans-69.1-38.9179-65.8-175.9177.100112P182 N220 Q226 Q227P182-E223 HydrophobicContact CG-CB 4.06Å; N220-E223 PolarHBondContact O-N 2.87Å; E223-Q226 PolarHBondContact O-N 3.48Å; E223-Q227 PolarHBondContact O-NE2 3Å; E223-Q227 VanDerWaalsContact O-NE2 3.09Å
224L96.3Very high96.2Very high2 Ų237.7 Ų37.71%0.0120%0.204CC..Hα-helixtrans-65.2-41.5173.7-71.7163.8000111.4V179 P182 A185 Y212 V216 N220 C221 Q226 Q227 F233V179-L224 HydrophobicContact CG2-CD1 4.3Å; P182-L224 HydrophobicContact CB-CD2 4.43Å; P182-L224 HydrophobicContact CG-CD2 4.4Å; A185-L224 HydrophobicContact CB-CD2 4.13Å; Y212-L224 HydrophobicContact CD1-CD1 4.01Å; Y212-L224 HydrophobicContact CD1-CD2 4.17Å; Y212-L224 HydrophobicContact CE1-CD1 3.98Å; Y212-L224 HydrophobicContact CE1-CD2 4.23Å; V216-L224 HydrophobicContact CG2-CD1 4.27Å; N220-L224 HydrophobicContact CB-CD1 4.42Å; N220-L224 PolarHBondContact O-N 2.82Å; C221-L224 PolarHBondContact O-N 2.89Å; L224-Q226 PolarHBondContact O-N 2.86Å; L224-Q227 WeakPolarHBondContact O-CB 3.46Å; L224-Q227 WeakPolarHBondContact O-CG 3.37Å; L224-Q227 PolarHBondContact O-N 3.44Å; L224-Q227 VanDerWaalsContact O-N 3.17Å; L224-F233 HydrophobicContact CB-CE1 3.69Å; L224-F233 HydrophobicContact CB-CZ 4Å; L224-F233 HydrophobicContact CD1-CE1 4.47Å
225A96.1Very high96.6Very high4 Ų437.6 Ų37.63%0.03320%0.203CC..Hα-helixtrans-67.1-20.2179.900000113.6F7 C221 K222 Q227 F233 A250 R251F7-A225 HydrophobicContact CE2-CB 4.06Å; F7-A225 HydrophobicContact CZ-CB 3.92Å; C221-A225 WeakPolarHBondContact O-CB 3.34Å; C221-A225 PolarHBondContact O-N 3.27Å; K222-A225 PolarHBondContact O-N 3.22Å; A225-Q227 VanDerWaalsContact C-N 3.32Å; A225-F233 HydrophobicContact CB-CE2 4.4Å; A225-F233 HydrophobicContact CB-CZ 3.89Å; A225-A250 HydrophobicContact CB-CB 4Å; A225-R251 HydrophobicContact CB-CG 3.87Å; A225-R251 VanDerWaalsContact O-CZ 3.32Å; A225-R251 PolarHBondContact O-NE 3Å; A225-R251 PolarHBondContact O-NH2 2.99Å
226Q95.6Very high96.8Very high155 Ų15537.4 Ų37.472%0.72421%0.205SC*.THydrogen-bonded Turntrans-78.9-14.9176.5-74.81733.100113.3K222 E223 L224K222-Q226 VanDerWaalsContact O-CG 3.31Å; K222-Q226 WeakPolarHBondContact O-CG 3.25Å; K222-Q226 PolarHBondContact O-N 3.41Å; E223-Q226 PolarHBondContact O-N 3.48Å; L224-Q226 PolarHBondContact O-N 2.86Å
227Q96.7Very high96.8Very high36 Ų3639.4 Ų39.417%0.16823%0.228CC..SBendtrans-66.1136.8177.8-57.5-48-5700110.6P182 Q186 E223 L224 A225 D229 V230P182-Q227 HydrophobicContact CB-CG 3.88Å; P182-Q227 WeakPolarHBondContact O-CG 3.28Å; Q186-Q227 HydrophobicContact CB-CB 4.07Å; Q186-Q227 HydrophobicContact CB-CG 4.13Å; Q186-Q227 HydrophobicContact CG-CB 4.48Å; E223-Q227 PolarHBondContact O-NE2 3Å; E223-Q227 VanDerWaalsContact O-NE2 3.09Å; L224-Q227 WeakPolarHBondContact O-CB 3.46Å; L224-Q227 WeakPolarHBondContact O-CG 3.37Å; L224-Q227 PolarHBondContact O-N 3.44Å; L224-Q227 VanDerWaalsContact O-N 3.17Å; A225-Q227 VanDerWaalsContact C-N 3.32Å; Q227-D229 VanDerWaalsContact C-N 3.34Å; Q227-D229 PolarHBondContact O-N 2.93Å; Q227-V230 HydrophobicContact CB-CB 3.95Å; Q227-V230 HydrophobicContact CB-CG2 3.59Å; Q227-V230 HydrophobicContact CG-CG2 4.29Å; Q227-V230 PolarHBondContact O-N 3.01Å
228H96.2Very high96.9Very high99 Ų9937.5 Ų37.546%0.45822%0.217SC..THydrogen-bonded Turntrans-60.3-40.3-169.6178.9-92.8000113.7R5R5-H228 PolarHBondContact NH2-O 3.46Å
229D97.8Very high96.9Very high3 Ų336.6 Ų36.62%0.01621%0.209CC..THydrogen-bonded Turntrans-1030.3-173.8-63.8-53.8000113.3Q186 H189 N190 R193 Q227Q186-D229 PolarHBondContact NE2-OD2 2.99Å; H189-D229 HydrophobicContact CB-CB 3.72Å; H189-D229 PolarHBondContact ND1-O 2.85Å; N190-D229 WeakPolarHBondContact CB-OD2 3.29Å; N190-D229 PolarHBondContact ND2-OD2 3.01Å; R193-D229 VanDerWaalsContact CD-OD1 3.28Å; R193-D229 WeakPolarHBondContact CD-OD1 3.31Å; R193-D229 IonicContact CZ-OD1 3.64Å; R193-D229 IonicContact NE-OD1 3.18Å; R193-D229 PolarHBondContact NE-OD1 3.45Å; R193-D229 PolarHBondContact NH2-O 3.2Å; R193-D229 VanDerWaalsContact NH2-O 3.09Å; R193-D229 IonicContact NH2-OD1 2.86Å; Q227-D229 VanDerWaalsContact C-N 3.34Å; Q227-D229 PolarHBondContact O-N 2.93Å
230V97.8Very high97Very high0 Ų034.3 Ų34.30%018%0.183CC..  trans-88112.5172.4179.90000109A185 H189 Q227 F233 R251A185-V230 HydrophobicContact CB-CG2 4.37Å; H189-V230 HydrophobicContact CB-CG2 4.49Å; H189-V230 WeakPolarHBondContact ND1-CA 3.49Å; Q227-V230 HydrophobicContact CB-CB 3.95Å; Q227-V230 HydrophobicContact CB-CG2 3.59Å; Q227-V230 HydrophobicContact CG-CG2 4.29Å; Q227-V230 PolarHBondContact O-N 3.01Å; V230-F233 HydrophobicContact CG1-CE1 4.24Å; V230-R251 PolarHBondContact O-NH2 3.33Å
231D98.1Very high97Very high0 Ų038.3 Ų38.30%020%0.199CC..  trans-98.46.8-175.3-57.8-51.1000113.2R5 F7 F8 R193 R209 I210R5-D231 IonicContact CZ-OD1 2.64Å; R5-D231 IonicContact NE-OD1 3.78Å; R5-D231 PolarHBondContact NE-OD1 2.89Å; R5-D231 IonicContact NE-OD2 3.01Å; R5-D231 PolarHBondContact NE-OD2 2.74Å; R5-D231 IonicContact NH2-OD1 2.78Å; F7-D231 CarbonylContact C-O 3.51Å; F7-D231 WeakPolarHBondContact CA-O 3.33Å; F7-D231 WeakPolarHBondContact CD2-O 3.39Å; F8-D231 PolarHBondContact N-O 3.08Å; R193-D231 IonicContact CZ-OD2 4Å; R193-D231 IonicContact NH1-OD2 3.33Å; R193-D231 IonicContact NH2-OD1 3.1Å; R193-D231 IonicContact NH2-OD2 2.77Å; R193-D231 PolarHBondContact NH2-OD2 3.5Å; R209-D231 WeakPolarHBondContact CA-OD2 3.49Å; R209-D231 HydrophobicContact CB-CB 3.99Å; R209-D231 HydrophobicContact CG-CB 4.21Å; I210-D231 PolarHBondContact N-OD2 3.26Å; I210-D231 PolarHBondContact O-N 2.96Å
232G98.2Very high97Very high0 Ų042.6 Ų42.60%023%0.226CC..EExtended strand (participates in β ladder)trans142.8-153.7177.500000113.1F8 I211 Y212F8-G232 CarbonylContact O-C 3.51Å; F8-G232 WeakPolarHBondContact O-CA 3.25Å; I211-G232 CarbonylContact C-O 3.58Å; I211-G232 WeakPolarHBondContact CA-O 3.16Å; I211-G232 WeakPolarHBondContact CB-O 3.28Å; Y212-G232 PolarHBondContact N-O 3.37Å
233F98.5Very high96.9Very high0 Ų038.4 Ų38.40%021%0.209CC..EExtended strand (participates in β ladder)trans-137.2146.5-165-49.8-56.3000114.4F7 F8 V9 G10 Y212 V216 C221 L224 A225 V230 V235 I247 A250F7-F233 HydrophobicContact CE1-CE2 4.26Å; F7-F233 HydrophobicContact CE2-CE2 4.39Å; F7-F233 AromaticContact CZ-CD2 3.97Å; F7-F233 HydrophobicContact CZ-CD2 3.97Å; F7-F233 AromaticContact CZ-CE2 3.49Å; F7-F233 HydrophobicContact CZ-CE2 3.49Å; F7-F233 VanDerWaalsContact CZ-CE2 3.49Å; F7-F233 HydrophobicContact CZ-CZ 4Å; F8-F233 PolarHBondContact O-N 3.01Å; V9-F233 WeakPolarHBondContact CA-O 3.39Å; V9-F233 HydrophobicContact CG1-CB 4.49Å; V9-F233 HydrophobicContact CG2-CD2 4.18Å; G10-F233 PolarHBondContact N-O 2.83Å; Y212-F233 CarbonylContact O-C 3.53Å; Y212-F233 WeakPolarHBondContact O-CA 3.31Å; V216-F233 HydrophobicContact CG1-CB 4.34Å; V216-F233 HydrophobicContact CG1-CD1 4.07Å; V216-F233 HydrophobicContact CG1-CD2 4.15Å; V216-F233 HydrophobicContact CG1-CE1 4.47Å; V216-F233 HydrophobicContact CG1-CE2 4.48Å; V216-F233 HydrophobicContact CG1-CG 3.91Å; V216-F233 HydrophobicContact CG2-CB 4.42Å; V216-F233 HydrophobicContact CG2-CD1 3.93Å; V216-F233 HydrophobicContact CG2-CG 4.32Å; C221-F233 HydrophobicContact CB-CE2 3.84Å; C221-F233 HydrophobicContact CB-CZ 4.16Å; C221-F233 VanDerWaalsContact O-CZ 3.28Å; C221-F233 WeakPolarHBondContact O-CZ 3.32Å; L224-F233 HydrophobicContact CB-CE1 3.69Å; L224-F233 HydrophobicContact CB-CZ 4Å; L224-F233 HydrophobicContact CD1-CE1 4.47Å; A225-F233 HydrophobicContact CB-CE2 4.4Å; A225-F233 HydrophobicContact CB-CZ 3.89Å; V230-F233 HydrophobicContact CG1-CE1 4.24Å; F233-V235 HydrophobicContact CB-CG2 3.69Å; F233-I247 HydrophobicContact CD2-CG2 3.52Å; F233-I247 HydrophobicContact CE2-CG2 4.06Å; F233-I247 HydrophobicContact CG-CG2 4.36Å; F233-A250 HydrophobicContact CE2-CB 3.96Å
234L98.6Very high97Very high4 Ų433 Ų332%0.02118%0.184CC..EExtended strand (participates in β ladder)trans-110.1108.1158.3-170.958000108.7G10 N12 I93 I125 A167 I211 Y212 G213G10-L234 CarbonylContact O-C 3.58Å; G10-L234 WeakPolarHBondContact O-CA 3.45Å; N12-L234 HydrophobicContact CB-CD1 4.14Å; N12-L234 HydrophobicContact CB-CG 4.49Å; I93-L234 HydrophobicContact CD1-CD1 4.14Å; I125-L234 HydrophobicContact CG2-CD2 4.2Å; A167-L234 HydrophobicContact CB-CB 4.3Å; A167-L234 HydrophobicContact CB-CD2 3.83Å; I211-L234 HydrophobicContact CD1-CB 3.89Å; I211-L234 HydrophobicContact CG1-CB 4.44Å; Y212-L234 PolarHBondContact O-N 3.2Å; G213-L234 VanDerWaalsContact CA-O 3.26Å; G213-L234 WeakPolarHBondContact CA-O 3.31Å
235V98.1Very high97Very high1 Ų133.7 Ų33.71%0.00619%0.188CC..EExtended strand (participates in β ladder)trans-104.4122.6-166.3-171.70000110.2V9 G10 G11 N12 V216 F233 A238 S239 F244 I247V9-V235 HydrophobicContact CG1-CG2 4.3Å; G10-V235 PolarHBondContact O-N 3.23Å; G11-V235 CarbonylContact C-O 3.58Å; N12-V235 PolarHBondContact N-O 3.11Å; V216-V235 HydrophobicContact CB-CG2 4.43Å; V216-V235 HydrophobicContact CG1-CG2 4.4Å; F233-V235 HydrophobicContact CB-CG2 3.69Å; V235-A238 HydrophobicContact CG1-CB 3.65Å; V235-S239 WeakPolarHBondContact O-CB 3.27Å; V235-S239 PolarHBondContact O-OG 2.85Å; V235-S239 VanDerWaalsContact O-OG 3.1Å; V235-F244 HydrophobicContact CB-CD2 4.25Å; V235-F244 HydrophobicContact CB-CE2 3.94Å; V235-F244 HydrophobicContact CG1-CD2 4.3Å; V235-F244 HydrophobicContact CG1-CE2 4.49Å; V235-F244 HydrophobicContact CG2-CD2 4.38Å; V235-F244 HydrophobicContact CG2-CE2 3.95Å; V235-I247 HydrophobicContact CG1-CD1 4Å; V235-I247 HydrophobicContact CG2-CG2 3.95Å
236G96.7Very high97Very high24 Ų2439.1 Ų39.125%0.24721%0.213CC..SBendtrans-81.1-111.517400000112.5A238 S239G236-A238 VanDerWaalsContact C-N 3.29Å; G236-A238 PolarHBondContact O-N 2.66Å; G236-A238 VanDerWaalsContact O-N 3.14Å; G236-S239 VanDerWaalsContact O-CB 3.3Å; G236-S239 WeakPolarHBondContact O-CB 3.42Å; G236-S239 PolarHBondContact O-N 2.99Å; G236-S239 PolarHBondContact O-OG 2.74Å
237G95.4Very high97.1Very high50 Ų5031.7 Ų31.752%0.51518%0.178SC..G310 helixtrans-58.5-30.2-17100000116S239 L240G237-S239 PolarHBondContact O-N 3.48Å; G237-L240 PolarHBondContact O-N 3.19Å
238A96.4Very high97.1Very high8 Ų830 Ų307%0.06617%0.17CC..G310 helixtrans-69.6-18.6175.300000113V216 V235 G236 L240 K241 E243 I247V216-A238 WeakPolarHBondContact O-CB 3.42Å; V235-A238 HydrophobicContact CG1-CB 3.65Å; G236-A238 VanDerWaalsContact C-N 3.29Å; G236-A238 PolarHBondContact O-N 2.66Å; G236-A238 VanDerWaalsContact O-N 3.14Å; A238-L240 PolarHBondContact O-N 3.49Å; A238-K241 PolarHBondContact O-N 3.26Å; A238-E243 WeakPolarHBondContact CA-OE1 3.25Å; A238-E243 HydrophobicContact CB-CG 4.11Å; A238-E243 VanDerWaalsContact CB-OE1 3.23Å; A238-E243 WeakPolarHBondContact CB-OE1 3.49Å; A238-I247 HydrophobicContact CB-CD1 3.75Å
239S97.7Very high97.1Very high1 Ų128.9 Ų28.91%0.00716%0.164CC..G310 helixtrans-74.6-11.9175.474.10000114.4W13 V235 G236 G237 K241W13-S239 PolarHBondContact NE1-O 3.37Å; V235-S239 WeakPolarHBondContact O-CB 3.27Å; V235-S239 PolarHBondContact O-OG 2.85Å; V235-S239 VanDerWaalsContact O-OG 3.1Å; G236-S239 VanDerWaalsContact O-CB 3.3Å; G236-S239 WeakPolarHBondContact O-CB 3.42Å; G236-S239 PolarHBondContact O-N 2.99Å; G236-S239 PolarHBondContact O-OG 2.74Å; G237-S239 PolarHBondContact O-N 3.48Å; S239-K241 VanDerWaalsContact C-N 3.31Å
240L97.2Very high97Very high50 Ų5029.3 Ų29.326%0.26217%0.168SC..G310 helixtrans-92.69.8175.9-64.1169.5000112.3W13 N16 L25 G237 A238W13-L240 HydrophobicContact CB-CD2 3.72Å; W13-L240 HydrophobicContact CD2-CD2 3.98Å; W13-L240 HydrophobicContact CG-CD2 3.55Å; N16-L240 HydrophobicContact CB-CD1 3.66Å; N16-L240 HydrophobicContact CB-CD2 4.16Å; L25-L240 HydrophobicContact CD1-CD2 4.32Å; G237-L240 PolarHBondContact O-N 3.19Å; A238-L240 PolarHBondContact O-N 3.49Å
241K96.3Very high96.8Very high112 Ų11232.7 Ų32.749%0.48718%0.181SC..SBendtrans-133.5161.7-170.4-65.8178.7-172.5175.90111.5A238 S239 E243 F244A238-K241 PolarHBondContact O-N 3.26Å; S239-K241 VanDerWaalsContact C-N 3.31Å; K241-E243 HydrophobicContact CB-CG 3.91Å; K241-E243 HydrophobicContact CD-CG 4.5Å; K241-E243 WeakPolarHBondContact CD-OE1 3.39Å; K241-E243 IonicContact NZ-OE1 3.65Å; K241-E243 PolarHBondContact O-N 3.38Å; K241-E243 VanDerWaalsContact O-N 3.13Å; K241-F244 WeakPolarHBondContact O-CB 3.46Å; K241-F244 PolarHBondContact O-N 2.73Å
242P95.3Very high96.2Very high91 Ų9135.3 Ų35.359%0.59119%0.193SC*.THydrogen-bonded Turntrans-56-31.7178-27.736.1000115.1L28 F244 T245L28-P242 VanDerWaalsContact CD2-CA 3.5Å; L28-P242 HydrophobicContact CD2-CB 4.17Å; P242-F244 PolarHBondContact O-N 2.86Å; P242-T245 PolarHBondContact O-N 3.23Å; P242-T245 PolarHBondContact O-OG1 3.33Å
243E95.8Very high94.9Very high48 Ų4850.6 Ų50.622%0.22425%0.251CS..THydrogen-bonded Turntrans-59.3-18.1178.370179.3164.600113.7A218 A238 K241 T245 E246 I247A218-E243 HydrophobicContact CB-CB 4.04Å; A238-E243 WeakPolarHBondContact CA-OE1 3.25Å; A238-E243 HydrophobicContact CB-CG 4.11Å; A238-E243 VanDerWaalsContact CB-OE1 3.23Å; A238-E243 WeakPolarHBondContact CB-OE1 3.49Å; K241-E243 HydrophobicContact CB-CG 3.91Å; K241-E243 HydrophobicContact CD-CG 4.5Å; K241-E243 WeakPolarHBondContact CD-OE1 3.39Å; K241-E243 IonicContact NZ-OE1 3.65Å; K241-E243 PolarHBondContact O-N 3.38Å; K241-E243 VanDerWaalsContact O-N 3.13Å; E243-T245 PolarHBondContact O-N 3.3Å; E243-E246 WeakPolarHBondContact O-CB 3.34Å; E243-E246 PolarHBondContact O-N 2.83Å; E243-I247 PolarHBondContact O-N 2.94Å; E243-I247 VanDerWaalsContact O-N 3.12Å
244F97.5Very high94.7Very high4 Ų453.1 Ų53.12%0.01826%0.263CS..Hα-helixtrans-56.9-36.4176.5-171.6-125.3000112.4V9 L29 V40 I42 V235 K241 P242 E246 I247 C248V9-F244 HydrophobicContact CG1-CE2 3.77Å; V9-F244 HydrophobicContact CG1-CZ 4.02Å; L29-F244 HydrophobicContact CD2-CD1 4.05Å; L29-F244 HydrophobicContact CD2-CE1 4.28Å; V40-F244 HydrophobicContact CG1-CE1 4.37Å; I42-F244 HydrophobicContact CG2-CE1 3.9Å; V235-F244 HydrophobicContact CB-CD2 4.25Å; V235-F244 HydrophobicContact CB-CE2 3.94Å; V235-F244 HydrophobicContact CG1-CD2 4.3Å; V235-F244 HydrophobicContact CG1-CE2 4.49Å; V235-F244 HydrophobicContact CG2-CD2 4.38Å; V235-F244 HydrophobicContact CG2-CE2 3.95Å; K241-F244 WeakPolarHBondContact O-CB 3.46Å; K241-F244 PolarHBondContact O-N 2.73Å; P242-F244 PolarHBondContact O-N 2.86Å; F244-E246 VanDerWaalsContact C-N 3.29Å; F244-E246 PolarHBondContact O-N 3.18Å; F244-I247 PolarHBondContact O-N 3.2Å; F244-C248 PolarHBondContact O-N 3.23Å; F244-C248 PolarHBondContact O-SG 3.41Å
245T96.6Very high94.5Very high18 Ų1855.7 Ų55.711%0.1128%0.276CS..Hα-helixtrans-64.7-33.8175.959.10000112.6L28 L29 A32 F34 P242 E243 C248 K249L28-T245 HydrophobicContact CD1-CG2 4.4Å; L28-T245 HydrophobicContact CD2-CG2 3.67Å; L28-T245 HydrophobicContact CG-CG2 3.73Å; L29-T245 HydrophobicContact CD2-CG2 4.45Å; A32-T245 HydrophobicContact CB-CG2 3.9Å; F34-T245 HydrophobicContact CZ-CG2 4.46Å; P242-T245 PolarHBondContact O-N 3.23Å; P242-T245 PolarHBondContact O-OG1 3.33Å; E243-T245 PolarHBondContact O-N 3.3Å; T245-C248 PolarHBondContact O-N 2.77Å; T245-K249 WeakPolarHBondContact O-CG 3.34Å; T245-K249 PolarHBondContact O-N 3.3Å
246E96.6Very high94.3Very high117 Ų11758.7 Ų58.755%0.54729%0.291SS..Hα-helixtrans-68.1-39.1174.5-61.6-179.6-156.600111A218 E243 F244 K249 A250A218-E246 HydrophobicContact CB-CB 4.12Å; A218-E246 WeakPolarHBondContact CB-OE2 3.5Å; E243-E246 WeakPolarHBondContact O-CB 3.34Å; E243-E246 PolarHBondContact O-N 2.83Å; F244-E246 VanDerWaalsContact C-N 3.29Å; F244-E246 PolarHBondContact O-N 3.18Å; E246-K249 CarbonylContact O-C 3.52Å; E246-K249 WeakPolarHBondContact O-CA 3.45Å; E246-K249 PolarHBondContact O-N 2.87Å; E246-A250 PolarHBondContact O-N 3.14Å
247I97.6Very high94.2Very high0 Ų060.8 Ų60.80%029%0.293CS..Hα-helixtrans-64.4-43.2176-60.9168.5000110.9V9 V216 C221 F233 V235 A238 E243 F244 K249 A250V9-I247 HydrophobicContact CG1-CG2 4.17Å; V216-I247 HydrophobicContact CG1-CD1 4.45Å; V216-I247 HydrophobicContact CG1-CG2 4Å; C221-I247 HydrophobicContact CB-CB 4.47Å; C221-I247 HydrophobicContact CB-CG1 4.26Å; C221-I247 HydrophobicContact CB-CG2 4.12Å; F233-I247 HydrophobicContact CD2-CG2 3.52Å; F233-I247 HydrophobicContact CE2-CG2 4.06Å; F233-I247 HydrophobicContact CG-CG2 4.36Å; V235-I247 HydrophobicContact CG1-CD1 4Å; V235-I247 HydrophobicContact CG2-CG2 3.95Å; A238-I247 HydrophobicContact CB-CD1 3.75Å; E243-I247 PolarHBondContact O-N 2.94Å; E243-I247 VanDerWaalsContact O-N 3.12Å; F244-I247 PolarHBondContact O-N 3.2Å; I247-K249 PolarHBondContact O-N 2.98Å; I247-A250 WeakPolarHBondContact O-CB 3.42Å; I247-A250 PolarHBondContact O-N 2.76Å; I247-A250 VanDerWaalsContact O-N 3.08Å
248C97.3Very high94.1Very high0 Ų061.4 Ų61.40%028%0.28CS..Hα-helixtrans-59-27.7172.8-66.90000112.3F34 V40 F244 T245F34-C248 HydrophobicContact CD1-CB 3.75Å; F34-C248 HydrophobicContact CE1-CB 3.45Å; F34-C248 VanDerWaalsContact CE1-CB 3.45Å; F34-C248 HydrophobicContact CZ-CB 4.26Å; V40-C248 HydrophobicContact CG2-CB 4.19Å; F244-C248 PolarHBondContact O-N 3.23Å; F244-C248 PolarHBondContact O-SG 3.41Å; T245-C248 PolarHBondContact O-N 2.77Å
249K96.2Very high93.9Very high75 Ų7565 Ų6533%0.32629%0.294SS..THydrogen-bonded Turntrans-93.510179.4-63175.6176.1177.60113.4H33 F34 T245 E246 I247 R251 Q252H33-K249 WeakPolarHBondContact O-CE 3.36Å; F34-K249 HydrophobicContact CD1-CG 4.4Å; T245-K249 WeakPolarHBondContact O-CG 3.34Å; T245-K249 PolarHBondContact O-N 3.3Å; E246-K249 CarbonylContact O-C 3.52Å; E246-K249 WeakPolarHBondContact O-CA 3.45Å; E246-K249 PolarHBondContact O-N 2.87Å; I247-K249 PolarHBondContact O-N 2.98Å; K249-R251 PolarHBondContact O-N 3.26Å; K249-Q252 HydrophobicContact CB-CB 4.26Å; K249-Q252 HydrophobicContact CB-CG 4.29Å; K249-Q252 WeakPolarHBondContact O-CB 3.27Å; K249-Q252 PolarHBondContact O-N 3.34Å
250A95.9Very high93.7Very high12 Ų1269.6 Ų69.610%0.09931%0.314CS..THydrogen-bonded Turntrans-57.8-26.3-17400000114.8F7 C221 A225 F233 E246 I247F7-A250 HydrophobicContact CE1-CB 4.2Å; F7-A250 HydrophobicContact CZ-CB 4.17Å; C221-A250 HydrophobicContact CB-CB 3.97Å; A225-A250 HydrophobicContact CB-CB 4Å; F233-A250 HydrophobicContact CE2-CB 3.96Å; E246-A250 PolarHBondContact O-N 3.14Å; I247-A250 WeakPolarHBondContact O-CB 3.42Å; I247-A250 PolarHBondContact O-N 2.76Å; I247-A250 VanDerWaalsContact O-N 3.08Å
251R92.8Very high93.4Very high71 Ų7171.1 Ų71.127%0.26832%0.318SS..THydrogen-bonded Turntrans-101.4-3.2174.6-73.8-162.5170.1162.7-1.3114.8F7 A225 V230 K249F7-R251 HydrophobicContact CD1-CB 4.25Å; F7-R251 HydrophobicContact CD1-CG 4.18Å; F7-R251 HydrophobicContact CD2-CG 3.89Å; F7-R251 HydrophobicContact CE1-CB 4.45Å; F7-R251 HydrophobicContact CE1-CG 4.15Å; F7-R251 HydrophobicContact CE2-CG 3.81Å; F7-R251 HydrophobicContact CG-CB 4.38Å; F7-R251 HydrophobicContact CG-CG 4.05Å; F7-R251 HydrophobicContact CZ-CG 3.96Å; A225-R251 HydrophobicContact CB-CG 3.87Å; A225-R251 VanDerWaalsContact O-CZ 3.32Å; A225-R251 PolarHBondContact O-NE 3Å; A225-R251 PolarHBondContact O-NH2 2.99Å; V230-R251 PolarHBondContact O-NH2 3.33Å; K249-R251 PolarHBondContact O-N 3.26Å
252Q86.3Confident93.1Very high55 Ų5567.7 Ų67.726%0.25730%0.304SS..  trans-76.4139.4179.2-64.1-178.313.800109.9D35 K249D35-Q252 HydrophobicContact CB-CG 3.64Å; K249-Q252 HydrophobicContact CB-CB 4.26Å; K249-Q252 HydrophobicContact CB-CG 4.29Å; K249-Q252 WeakPolarHBondContact O-CB 3.27Å; K249-Q252 PolarHBondContact O-N 3.34Å
253R70Confident93Very high321 Ų32165.5 Ų65.5100%1.21128%0.278SS*.  trans-94.70175.7-70.7-174.7178179.2-0.3110.5

Retrieved 253 of 253 residues in 161.7 ms (Link to these results)

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