A0A077ZBY4_TRITR Loading...

Molybdopterin synthase catalytic subunit molybdo pterin converting factor subunit

AlphaFold DB , UniProt , Accession A0A077ZBY4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 365 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
1M32.7Very low72.9Confident239 Ų23979.3 Ų79.3100%1.17747%0.466SS*.  0117.40-76.3169.2168.300106.2T3M1-T3 PolarHBondContact O-N 2.82Å
2S35.1Very low75Confident120 Ų12072.7 Ų72.784%0.83943%0.427SS*.  trans-62.6112168.762.30000106A4S2-A4 PolarHBondContact O-N 3.49Å
3T40.5Very low76.8Confident126 Ų12667.1 Ų67.177%0.77339%0.394SS*.PPolyproline II helixtrans-50.5116.216142.50000105.1M1 E5M1-T3 PolarHBondContact O-N 2.82Å; T3-E5 PolarHBondContact O-N 3.38Å
4A50.4Low78.3Confident76 Ų7662.4 Ų62.463%0.62837%0.368SS*.PPolyproline II helixtrans-55.1119.4170.300000105.4S2 S6S2-A4 PolarHBondContact O-N 3.49Å; A4-S6 PolarHBondContact O-N 2.99Å; A4-S6 VanDerWaalsContact O-N 3.08Å
5E70.6Confident79.5Confident181 Ų18158.3 Ų58.385%0.84634%0.344SS*.PPolyproline II helixtrans-55.3119.8175.1-73.9174.4170.700106.7T3T3-E5 PolarHBondContact O-N 3.38Å
6S87.7Confident80.3Confident96 Ų9655.4 Ų55.467%0.67133%0.327SS*.PPolyproline II helixtrans-60.9150.3175.548.50000109.2A4A4-S6 PolarHBondContact O-N 2.99Å; A4-S6 VanDerWaalsContact O-N 3.08Å
7S94.6Very high81.1Confident5 Ų553.2 Ų53.24%0.03531%0.314CS..PPolyproline II helixtrans-65.3141.4174.9-61.40000109.9V9 E83 P88S7-V9 PolarHBondContact O-N 3.48Å; S7-E83 PolarHBondContact N-OE1 2.82Å; S7-P88 PolarHBondContact OG-O 2.86Å
8L95.8Very high81.9Confident21 Ų2150.2 Ų50.211%0.1130%0.297CS..EExtended strand (participates in β ladder)trans-70.9117.6162.1179.175.6000108.6V10 Q89 V90 I91 D109 V181 L184 I185L8-V10 HydrophobicContact CD2-CG2 3.82Å; L8-V10 HydrophobicContact CG-CG2 3.92Å; L8-Q89 PolarHBondContact N-O 3.11Å; L8-V90 HydrophobicContact CB-CG2 4.4Å; L8-V90 HydrophobicContact CD2-CG2 4.47Å; L8-V90 CarbonylContact O-C 3.59Å; L8-V90 VanDerWaalsContact O-CA 3.31Å; L8-V90 WeakPolarHBondContact O-CA 3.47Å; L8-I91 PolarHBondContact O-N 2.89Å; L8-D109 WeakPolarHBondContact CA-OD2 3.18Å; L8-D109 HydrophobicContact CD1-CB 3.49Å; L8-D109 VanDerWaalsContact CD1-CB 3.49Å; L8-V181 HydrophobicContact CD2-CG1 4.16Å; L8-L184 HydrophobicContact CD1-CB 4.08Å; L8-L184 HydrophobicContact CD1-CD1 4.1Å; L8-L184 HydrophobicContact CD2-CB 3.75Å; L8-L184 HydrophobicContact CD2-CD1 4.15Å; L8-I185 HydrophobicContact CB-CG2 4.05Å; L8-I185 HydrophobicContact CD2-CG2 3.46Å; L8-I185 VanDerWaalsContact CD2-CG2 3.46Å; L8-I185 HydrophobicContact CG-CG2 4.35Å
9V97.5Very high82.6Confident8 Ų848.3 Ų48.35%0.04829%0.288CS..EExtended strand (participates in β ladder)trans-100.2117.5179.7-167.30000109.9S7 M79 I91 V93 L107 F108 D109 Q110S7-V9 PolarHBondContact O-N 3.48Å; V9-M79 HydrophobicContact CG1-CE 4.35Å; V9-M79 HydrophobicContact CG1-SD 3.69Å; V9-I91 WeakPolarHBondContact CA-O 3.5Å; V9-V93 HydrophobicContact CG1-CG2 4.36Å; V9-L107 VanDerWaalsContact CB-O 3.29Å; V9-L107 WeakPolarHBondContact CB-O 3.35Å; V9-F108 HydrophobicContact CB-CD1 4.49Å; V9-F108 HydrophobicContact CG1-CD1 3.7Å; V9-F108 HydrophobicContact CG1-CE1 3.93Å; V9-D109 PolarHBondContact N-OD2 3.5Å; V9-D109 PolarHBondContact O-N 3.21Å; V9-Q110 PolarHBondContact O-N 2.77Å
10V98.5Very high83.3Confident0 Ų046.2 Ų46.20%028%0.275CS..EExtended strand (participates in β ladder)trans-116.7120.6-174.7-176.50000110.1L8 L12 V90 I91 L92 V93 Q110 F112 V181L8-V10 HydrophobicContact CD2-CG2 3.82Å; L8-V10 HydrophobicContact CG-CG2 3.92Å; V10-L12 HydrophobicContact CG1-CD1 4Å; V10-V90 HydrophobicContact CG2-CG1 4.15Å; V10-I91 PolarHBondContact N-O 2.9Å; V10-L92 HydrophobicContact CB-CD2 3.86Å; V10-L92 HydrophobicContact CG1-CD2 4.3Å; V10-L92 HydrophobicContact CG2-CD2 4.3Å; V10-L92 WeakPolarHBondContact O-CA 3.32Å; V10-V93 PolarHBondContact O-N 2.94Å; V10-Q110 WeakPolarHBondContact CA-O 3.26Å; V10-Q110 HydrophobicContact CG1-CB 4.4Å; V10-Q110 HydrophobicContact CG1-CG 4.44Å; V10-Q110 HydrophobicContact CG2-CB 4.41Å; V10-F112 HydrophobicContact CG1-CD2 3.75Å; V10-F112 HydrophobicContact CG1-CE2 3.53Å; V10-V181 HydrophobicContact CG1-CG2 3.87Å; V10-V181 HydrophobicContact CG2-CG1 4.21Å; V10-V181 HydrophobicContact CG2-CG2 4.06Å
11G98.5Very high83.9Confident0 Ų045.2 Ų45.20%027%0.271CS..EExtended strand (participates in β ladder)trans-94.8129.6175.500000112.2V93 F108 Q110 F112G11-V93 CarbonylContact C-O 3.53Å; G11-V93 WeakPolarHBondContact CA-O 3.39Å; G11-F108 VanDerWaalsContact CA-CE1 3.4Å; G11-F108 VanDerWaalsContact N-CD1 3.29Å; G11-Q110 PolarHBondContact N-O 2.8Å; G11-F112 PolarHBondContact O-N 3.5Å
12L98.7Very high86.9Confident0 Ų037.1 Ų37.10%024%0.238CC..EExtended strand (participates in β ladder)trans-114.891.8170.4-67.387000108.8V10 I23 A24 L92 V93 E94 G95 F112 F114 V177V10-L12 HydrophobicContact CG1-CD1 4Å; L12-I23 HydrophobicContact CD2-CB 4.45Å; L12-I23 HydrophobicContact CD2-CG2 4.01Å; L12-A24 HydrophobicContact CD2-CB 4.16Å; L12-L92 HydrophobicContact CD1-CD2 4.44Å; L12-V93 PolarHBondContact N-O 2.76Å; L12-E94 HydrophobicContact CB-CB 4.26Å; L12-E94 HydrophobicContact CB-CG 4Å; L12-E94 WeakPolarHBondContact O-CA 3.48Å; L12-G95 PolarHBondContact O-N 2.77Å; L12-G95 VanDerWaalsContact O-N 3.15Å; L12-F112 HydrophobicContact CG-CD2 4.4Å; L12-F114 HydrophobicContact CB-CE2 4.09Å; L12-F114 HydrophobicContact CD2-CE2 3.99Å; L12-F114 HydrophobicContact CD2-CZ 4.1Å; L12-F114 HydrophobicContact CG-CE2 4.21Å; L12-V177 HydrophobicContact CD2-CG1 4.37Å
13G98.1Very high89.8Confident0 Ų031.4 Ų31.40%020%0.198CC..EExtended strand (participates in β ladder)trans-119-172.5-176.800000114.1G95 F112 F114G13-G95 WeakPolarHBondContact CA-O 3.3Å; G13-F112 PolarHBondContact N-O 3.1Å; G13-F114 WeakPolarHBondContact O-CB 3.28Å; G13-F114 PolarHBondContact O-N 2.86Å
14G97.3Very high92.6Very high2 Ų225.4 Ų25.42%0.02116%0.161CC..EExtended strand (participates in β ladder)trans105.2-151.3-178.900000113.3N96 F114G14-N96 WeakPolarHBondContact O-CA 3.17Å; G14-N96 VanDerWaalsContact O-CB 3.26Å; G14-N96 WeakPolarHBondContact O-CB 3.27Å; G14-F114 CarbonylContact C-O 3.55Å; G14-F114 WeakPolarHBondContact CA-O 3.43Å
15A96.1Very high94.8Very high1 Ų123.9 Ų23.91%0.00815%0.146CC..  trans-57.7142.4-168.400000113.3S18 K20 F114 V116 Y147A15-S18 WeakPolarHBondContact O-CB 3.48Å; A15-S18 PolarHBondContact O-OG 3.47Å; A15-K20 WeakPolarHBondContact O-CE 3.32Å; A15-F114 PolarHBondContact N-O 2.87Å; A15-V116 HydrophobicContact CB-CB 4.47Å; A15-V116 HydrophobicContact CB-CG1 3.52Å; A15-Y147 VanDerWaalsContact CA-CD2 3.45Å; A15-Y147 HydrophobicContact CB-CD1 4.45Å; A15-Y147 HydrophobicContact CB-CD2 3.66Å; A15-Y147 HydrophobicContact CB-CE1 4.25Å; A15-Y147 HydrophobicContact CB-CE2 3.42Å; A15-Y147 VanDerWaalsContact CB-CE2 3.42Å; A15-Y147 HydrophobicContact CB-CG 4.16Å
16T93.2Very high95.9Very high12 Ų1218.9 Ų18.97%0.07412%0.119CC..THydrogen-bonded Turntrans-60.9152162-172.70000110.5S18T16-S18 PolarHBondContact O-N 2.76Å
17C93Very high96.3Very high17 Ų1714.3 Ų14.312%0.1159%0.087CC..THydrogen-bonded Turntrans56.716.5-179.9-62.30000115.9G19 R124C17-G19 VanDerWaalsContact C-N 3.33Å; C17-R124 HydrophobicContact CB-CB 3.73Å; C17-R124 WeakPolarHBondContact O-CD 3.26Å; C17-R124 PolarHBondContact O-NH1 3.47Å
18S95.7Very high96.3Very high0 Ų016.2 Ų16.20%010%0.097CC..SBendtrans-80.1-10.5176.259.30000114.4A15 T16 F114 G166A15-S18 WeakPolarHBondContact O-CB 3.48Å; A15-S18 PolarHBondContact O-OG 3.47Å; T16-S18 PolarHBondContact O-N 2.76Å; S18-F114 VanDerWaalsContact OG-CB 3.28Å; S18-F114 WeakPolarHBondContact OG-CB 3.4Å; S18-G166 VanDerWaalsContact O-CA 3.23Å; S18-G166 WeakPolarHBondContact O-CA 3.32Å
19G94.8Very high96.1Very high13 Ų1322.4 Ų22.413%0.13412%0.123CC..SBendtrans102.5-4.9-177.100000114.5C17 S21 S22 I23C17-G19 VanDerWaalsContact C-N 3.33Å; G19-S21 PolarHBondContact O-N 2.87Å; G19-S22 WeakPolarHBondContact O-CA 3.43Å; G19-S22 WeakPolarHBondContact O-CB 3.2Å; G19-S22 PolarHBondContact O-N 2.94Å; G19-I23 WeakPolarHBondContact O-CG1 3.32Å; G19-I23 PolarHBondContact O-N 2.96Å
20K97Very high95.5Very high6 Ų622.8 Ų22.83%0.02612%0.124CC..Hα-helixtrans-43.7-53.9179.149172.8-167.958.60114.9A15 S22 I23 A24 E94 F114A15-K20 WeakPolarHBondContact O-CE 3.32Å; K20-S22 VanDerWaalsContact C-N 3.32Å; K20-S22 PolarHBondContact O-N 2.9Å; K20-I23 PolarHBondContact O-N 2.9Å; K20-I23 VanDerWaalsContact O-N 3.16Å; K20-A24 WeakPolarHBondContact O-CB 3.32Å; K20-A24 PolarHBondContact O-N 3.34Å; K20-E94 HydrophobicContact CB-CG 4.11Å; K20-E94 WeakPolarHBondContact CB-OE1 3.48Å; K20-E94 WeakPolarHBondContact CD-OE1 3.25Å; K20-E94 VanDerWaalsContact CE-OE1 3.32Å; K20-E94 WeakPolarHBondContact CE-OE1 3.31Å; K20-E94 WeakPolarHBondContact CG-OE1 3.48Å; K20-E94 IonicContact NZ-OE1 3.61Å; K20-E94 PolarHBondContact NZ-OE1 2.95Å; K20-F114 HydrophobicContact CB-CD1 4.26Å; K20-F114 HydrophobicContact CB-CD2 4.19Å; K20-F114 HydrophobicContact CB-CE1 4.48Å; K20-F114 HydrophobicContact CB-CE2 4.44Å; K20-F114 HydrophobicContact CB-CG 4.11Å
21S96Very high95.1Very high27 Ų2722.8 Ų22.819%0.18912%0.124CC..Hα-helixtrans-63.9-35.2-179.9-46.10000113.2G19 S25 E94G19-S21 PolarHBondContact O-N 2.87Å; S21-S25 WeakPolarHBondContact O-CB 2.88Å; S21-S25 PolarHBondContact O-N 2.71Å; S21-S25 PolarHBondContact O-OG 2.98Å; S21-E94 VanDerWaalsContact CA-OE2 3.3Å; S21-E94 WeakPolarHBondContact CA-OE2 3.29Å; S21-E94 VanDerWaalsContact CB-OE2 3.23Å; S21-E94 WeakPolarHBondContact CB-OE2 3.29Å; S21-E94 PolarHBondContact N-OE1 2.95Å; S21-E94 PolarHBondContact OG-OE1 2.77Å; S21-E94 PolarHBondContact OG-OE2 2.88Å
22S95.3Very high94.5Very high69 Ų6926.5 Ų26.548%0.48315%0.147SC..Hα-helixtrans-66.7-44.2174.6-55.60000110.9G19 K20 W26G19-S22 WeakPolarHBondContact O-CA 3.43Å; G19-S22 WeakPolarHBondContact O-CB 3.2Å; G19-S22 PolarHBondContact O-N 2.94Å; K20-S22 VanDerWaalsContact C-N 3.32Å; K20-S22 PolarHBondContact O-N 2.9Å; S22-W26 WeakPolarHBondContact O-CB 3.42Å; S22-W26 PolarHBondContact O-N 3.15Å
23I97.4Very high93.6Very high0 Ų029.7 Ų29.70%017%0.169CC..Hα-helixtrans-65.7-45177-61.1-60.9000111.1L12 G19 K20 S25 W26 L27 F114 L170 I173 F174 V177L12-I23 HydrophobicContact CD2-CB 4.45Å; L12-I23 HydrophobicContact CD2-CG2 4.01Å; G19-I23 WeakPolarHBondContact O-CG1 3.32Å; G19-I23 PolarHBondContact O-N 2.96Å; K20-I23 PolarHBondContact O-N 2.9Å; K20-I23 VanDerWaalsContact O-N 3.16Å; I23-S25 PolarHBondContact O-N 3.23Å; I23-W26 PolarHBondContact O-N 2.62Å; I23-L27 VanDerWaalsContact O-CB 3.23Å; I23-L27 WeakPolarHBondContact O-CB 3.41Å; I23-L27 PolarHBondContact O-N 3.05Å; I23-F114 HydrophobicContact CB-CE1 4.33Å; I23-F114 HydrophobicContact CB-CZ 4.14Å; I23-F114 HydrophobicContact CG1-CE1 3.96Å; I23-F114 HydrophobicContact CG1-CZ 4.23Å; I23-F114 HydrophobicContact CG2-CZ 4.1Å; I23-L170 HydrophobicContact CD1-CD2 4.06Å; I23-L170 HydrophobicContact CG1-CD2 4.41Å; I23-I173 HydrophobicContact CD1-CB 4.08Å; I23-I173 HydrophobicContact CD1-CG2 3.71Å; I23-I173 HydrophobicContact CG1-CG2 3.75Å; I23-F174 HydrophobicContact CD1-CB 3.78Å; I23-V177 HydrophobicContact CG2-CB 4.17Å; I23-V177 HydrophobicContact CG2-CG1 4.13Å; I23-V177 HydrophobicContact CG2-CG2 4.17Å
24A98.1Very high92.6Very high0 Ų030.2 Ų30.20%017%0.173CC..Hα-helixtrans-59.9-44.9177.200000112.2L12 K20 W26 L27 L28 L40 E94L12-A24 HydrophobicContact CD2-CB 4.16Å; K20-A24 WeakPolarHBondContact O-CB 3.32Å; K20-A24 PolarHBondContact O-N 3.34Å; A24-W26 VanDerWaalsContact C-N 3.33Å; A24-W26 PolarHBondContact O-N 3.39Å; A24-L27 PolarHBondContact O-N 3.37Å; A24-L28 WeakPolarHBondContact O-CB 3.38Å; A24-L28 PolarHBondContact O-N 2.85Å; A24-L40 HydrophobicContact CB-CD1 3.89Å; A24-E94 HydrophobicContact CB-CB 3.83Å; A24-E94 HydrophobicContact CB-CG 3.77Å
25S96.3Very high91.7Very high44 Ų4432.4 Ų32.431%0.30820%0.195SC..Hα-helixtrans-63.4-38.9176.1-63.10000112.4S21 I23 K29S21-S25 WeakPolarHBondContact O-CB 2.88Å; S21-S25 PolarHBondContact O-N 2.71Å; S21-S25 PolarHBondContact O-OG 2.98Å; I23-S25 PolarHBondContact O-N 3.23Å; S25-K29 WeakPolarHBondContact O-CG 3.23Å; S25-K29 PolarHBondContact O-N 2.98Å
26W94.9Very high91.2Very high75 Ų7533.1 Ų33.128%0.28420%0.199SC..Hα-helixtrans-69.7-44.9177.1-166.4-4000111S22 I23 A24 L28 K29 F30 D171 F174S22-W26 WeakPolarHBondContact O-CB 3.42Å; S22-W26 PolarHBondContact O-N 3.15Å; I23-W26 PolarHBondContact O-N 2.62Å; A24-W26 VanDerWaalsContact C-N 3.33Å; A24-W26 PolarHBondContact O-N 3.39Å; W26-L28 PolarHBondContact O-N 2.84Å; W26-K29 PolarHBondContact O-N 3.42Å; W26-F30 WeakPolarHBondContact O-CB 3.38Å; W26-F30 PolarHBondContact O-N 3.33Å; W26-D171 HydrophobicContact CH2-CB 4.22Å; W26-D171 WeakPolarHBondContact CH2-OD1 3.36Å; W26-D171 WeakPolarHBondContact CZ3-OD1 3.45Å; W26-F174 HydrophobicContact CB-CD2 3.81Å; W26-F174 HydrophobicContact CB-CE2 3.98Å; W26-F174 AromaticContact CD1-CD2 3.96Å; W26-F174 AromaticContact CD1-CE2 3.53Å; W26-F174 AromaticContact CD1-CZ 3.72Å; W26-F174 HydrophobicContact CD2-CB 4Å; W26-F174 AromaticContact CD2-CD1 3.83Å; W26-F174 HydrophobicContact CD2-CD1 3.83Å; W26-F174 AromaticContact CD2-CD2 3.47Å; W26-F174 HydrophobicContact CD2-CD2 3.47Å; W26-F174 VanDerWaalsContact CD2-CD2 3.47Å; W26-F174 HydrophobicContact CD2-CE1 4.21Å; W26-F174 AromaticContact CD2-CE2 3.86Å; W26-F174 HydrophobicContact CD2-CE2 3.86Å; W26-F174 AromaticContact CD2-CG 3.45Å; W26-F174 HydrophobicContact CD2-CG 3.45Å; W26-F174 VanDerWaalsContact CD2-CG 3.45Å; W26-F174 HydrophobicContact CD2-CZ 4.22Å; W26-F174 AromaticContact CE2-CD1 3.54Å; W26-F174 AromaticContact CE2-CD2 3.97Å; W26-F174 AromaticContact CE2-CE1 3.66Å; W26-F174 AromaticContact CE2-CG 3.71Å; W26-F174 AromaticContact CE2-CZ 3.91Å; W26-F174 HydrophobicContact CE3-CB 3.48Å; W26-F174 VanDerWaalsContact CE3-CB 3.48Å; W26-F174 HydrophobicContact CE3-CD1 4.07Å; W26-F174 AromaticContact CE3-CD2 3.83Å; W26-F174 HydrophobicContact CE3-CD2 3.83Å; W26-F174 AromaticContact CE3-CG 3.5Å; W26-F174 HydrophobicContact CE3-CG 3.5Å; W26-F174 VanDerWaalsContact CE3-CG 3.5Å; W26-F174 HydrophobicContact CG-CD1 4.5Å; W26-F174 AromaticContact CG-CD2 3.48Å; W26-F174 HydrophobicContact CG-CD2 3.48Å; W26-F174 VanDerWaalsContact CG-CD2 3.48Å; W26-F174 AromaticContact CG-CE2 3.52Å; W26-F174 HydrophobicContact CG-CE2 3.52Å; W26-F174 HydrophobicContact CG-CG 4Å; W26-F174 HydrophobicContact CG-CZ 4.1Å; W26-F174 HydrophobicContact CH2-CB 4.05Å; W26-F174 AromaticContact CH2-CD1 3.76Å; W26-F174 HydrophobicContact CH2-CD1 3.76Å; W26-F174 AromaticContact CH2-CG 4Å; W26-F174 HydrophobicContact CH2-CG 4Å; W26-F174 AromaticContact CZ2-CD1 3.52Å; W26-F174 HydrophobicContact CZ2-CD1 3.52Å; W26-F174 AromaticContact CZ2-CE1 3.86Å; W26-F174 HydrophobicContact CZ2-CE1 3.86Å; W26-F174 AromaticContact CZ2-CG 3.99Å; W26-F174 HydrophobicContact CZ2-CG 3.99Å; W26-F174 HydrophobicContact CZ3-CB 3.51Å; W26-F174 HydrophobicContact CZ3-CD1 4.04Å; W26-F174 AromaticContact CZ3-CG 3.77Å; W26-F174 HydrophobicContact CZ3-CG 3.77Å; W26-F174 AromaticContact NE1-CE1 3.71Å; W26-F174 AromaticContact NE1-CE2 3.84Å; W26-F174 AromaticContact NE1-CZ 3.58Å
27L94.8Very high91.1Very high0 Ų037.8 Ų37.80%022%0.218CC..Hα-helixtrans-59.3-44.8177.1-172.564.2000111.9I23 A24 K29 F30 L31 L92 F174 V177 A178 V181I23-L27 VanDerWaalsContact O-CB 3.23Å; I23-L27 WeakPolarHBondContact O-CB 3.41Å; I23-L27 PolarHBondContact O-N 3.05Å; A24-L27 PolarHBondContact O-N 3.37Å; L27-K29 PolarHBondContact O-N 2.79Å; L27-F30 HydrophobicContact CD1-CD1 4.27Å; L27-F30 PolarHBondContact O-N 2.73Å; L27-L31 HydrophobicContact CD1-CD1 3.97Å; L27-L31 HydrophobicContact CD1-CD2 4.26Å; L27-L31 HydrophobicContact CD1-CG 3.92Å; L27-L31 HydrophobicContact CD2-CD1 4.49Å; L27-L31 HydrophobicContact CG-CD1 3.82Å; L27-L31 HydrophobicContact CG-CG 4.16Å; L27-L31 WeakPolarHBondContact O-CB 3.35Å; L27-L31 VanDerWaalsContact O-CG 3.3Å; L27-L31 WeakPolarHBondContact O-CG 3.26Å; L27-L31 PolarHBondContact O-N 3.07Å; L27-L92 HydrophobicContact CB-CD1 4.02Å; L27-L92 HydrophobicContact CD2-CD1 3.84Å; L27-L92 HydrophobicContact CD2-CD2 3.61Å; L27-L92 HydrophobicContact CD2-CG 4.39Å; L27-L92 HydrophobicContact CG-CD1 3.89Å; L27-L92 HydrophobicContact CG-CD2 4.35Å; L27-F174 HydrophobicContact CB-CE2 4.47Å; L27-V177 HydrophobicContact CD2-CG1 3.94Å; L27-A178 HydrophobicContact CD1-CB 3.94Å; L27-V181 HydrophobicContact CD2-CG2 4.18Å
28L95.8Very high91.2Very high46 Ų4637.9 Ų37.924%0.24122%0.218CC..Hα-helixtrans-53.5-52.8173.4173.765.6000111.8A24 W26 F30 T32 T38 L40 L92A24-L28 WeakPolarHBondContact O-CB 3.38Å; A24-L28 PolarHBondContact O-N 2.85Å; W26-L28 PolarHBondContact O-N 2.84Å; L28-F30 VanDerWaalsContact C-N 3.31Å; L28-F30 PolarHBondContact O-N 3.3Å; L28-T32 VanDerWaalsContact O-CB 3.27Å; L28-T32 WeakPolarHBondContact O-CB 3.41Å; L28-T32 PolarHBondContact O-N 3.05Å; L28-T32 PolarHBondContact O-OG1 2.9Å; L28-T38 HydrophobicContact CD1-CG2 3.76Å; L28-T38 WeakPolarHBondContact CD1-O 3.27Å; L28-L40 HydrophobicContact CD1-CB 4.33Å; L28-L40 HydrophobicContact CD2-CB 3.9Å; L28-L40 HydrophobicContact CD2-CD2 4.01Å; L28-L40 HydrophobicContact CG-CB 4.49Å; L28-L92 HydrophobicContact CB-CD1 4.28Å
29K90.8Very high91.3Very high151 Ų15138.7 Ų38.766%0.65723%0.225SC*.Hα-helixtrans-62.1-42.3-178.9-71172.9-176.3174.30111.4S25 W26 L27 S33S25-K29 WeakPolarHBondContact O-CG 3.23Å; S25-K29 PolarHBondContact O-N 2.98Å; W26-K29 PolarHBondContact O-N 3.42Å; L27-K29 PolarHBondContact O-N 2.79Å; K29-S33 WeakPolarHBondContact O-CB 3.33Å; K29-S33 PolarHBondContact O-N 3.38Å
30F85.7Confident91.5Very high15 Ų1539.8 Ų39.87%0.06623%0.228CC..Hα-helixtrans-68.2-51.6-178.4165.8-105.1000112.6W26 L27 L28 T32 S33 C34 F174 A178 I182 W189 M191W26-F30 WeakPolarHBondContact O-CB 3.38Å; W26-F30 PolarHBondContact O-N 3.33Å; L27-F30 HydrophobicContact CD1-CD1 4.27Å; L27-F30 PolarHBondContact O-N 2.73Å; L28-F30 VanDerWaalsContact C-N 3.31Å; L28-F30 PolarHBondContact O-N 3.3Å; F30-T32 VanDerWaalsContact C-N 3.27Å; F30-T32 PolarHBondContact O-N 2.97Å; F30-S33 CarbonylContact O-C 3.55Å; F30-S33 WeakPolarHBondContact O-CA 3.29Å; F30-S33 WeakPolarHBondContact O-CB 3.39Å; F30-S33 PolarHBondContact O-N 2.95Å; F30-S33 PolarHBondContact O-OG 2.86Å; F30-C34 PolarHBondContact O-N 3.25Å; F30-C34 PolarHBondContact O-SG 3.23Å; F30-F174 HydrophobicContact CB-CE2 3.98Å; F30-F174 HydrophobicContact CB-CZ 3.58Å; F30-F174 HydrophobicContact CD1-CE2 4.32Å; F30-F174 AromaticContact CD1-CZ 3.82Å; F30-F174 HydrophobicContact CD1-CZ 3.82Å; F30-F174 AromaticContact CD2-CZ 3.95Å; F30-F174 HydrophobicContact CD2-CZ 3.95Å; F30-F174 HydrophobicContact CE1-CZ 4.38Å; F30-F174 HydrophobicContact CG-CE2 4.25Å; F30-F174 AromaticContact CG-CZ 3.53Å; F30-F174 HydrophobicContact CG-CZ 3.53Å; F30-A178 HydrophobicContact CD1-CB 4.16Å; F30-A178 HydrophobicContact CE1-CB 3.67Å; F30-A178 HydrophobicContact CZ-CB 4.33Å; F30-I182 HydrophobicContact CE1-CD1 3.37Å; F30-I182 HydrophobicContact CE1-CG1 4.32Å; F30-I182 HydrophobicContact CZ-CD1 3.62Å; F30-W189 AromaticContact CE2-NE1 3.98Å; F30-W189 AromaticContact CZ-CE2 3.85Å; F30-W189 AromaticContact CZ-CZ2 3.88Å; F30-W189 HydrophobicContact CZ-CZ2 3.88Å; F30-W189 AromaticContact CZ-NE1 3.29Å; F30-W189 VanDerWaalsContact CZ-NE1 3.29Å; F30-M191 HydrophobicContact CE2-CB 4.47Å; F30-M191 HydrophobicContact CE2-CG 3.97Å; F30-M191 HydrophobicContact CE2-SD 3.71Å; F30-M191 HydrophobicContact CZ-SD 4.42Å
31L88.8Confident91.6Very high0 Ų039.8 Ų39.80%023%0.228CC..Hα-helixtrans-59.9-40.8177.6-65.1177.9000110.9L27 S33 C34 G35 I36 T38 V90 V181 I182 I185L27-L31 HydrophobicContact CD1-CD1 3.97Å; L27-L31 HydrophobicContact CD1-CD2 4.26Å; L27-L31 HydrophobicContact CD1-CG 3.92Å; L27-L31 HydrophobicContact CD2-CD1 4.49Å; L27-L31 HydrophobicContact CG-CD1 3.82Å; L27-L31 HydrophobicContact CG-CG 4.16Å; L27-L31 WeakPolarHBondContact O-CB 3.35Å; L27-L31 VanDerWaalsContact O-CG 3.3Å; L27-L31 WeakPolarHBondContact O-CG 3.26Å; L27-L31 PolarHBondContact O-N 3.07Å; L31-S33 VanDerWaalsContact C-N 3.32Å; L31-S33 PolarHBondContact O-N 2.91Å; L31-C34 CarbonylContact O-C 3.57Å; L31-C34 WeakPolarHBondContact O-CA 3.45Å; L31-C34 WeakPolarHBondContact O-CB 3.44Å; L31-C34 PolarHBondContact O-N 3.41Å; L31-C34 VanDerWaalsContact O-N 3.07Å; L31-G35 PolarHBondContact O-N 2.67Å; L31-I36 CarbonylContact C-O 3.56Å; L31-I36 HydrophobicContact CB-CB 4.23Å; L31-I36 HydrophobicContact CB-CD1 4.48Å; L31-I36 HydrophobicContact CB-CG2 4.46Å; L31-I36 HydrophobicContact CD2-CD1 3.87Å; L31-I36 WeakPolarHBondContact O-CB 2.91Å; L31-I36 PolarHBondContact O-N 2.99Å; L31-T38 VanDerWaalsContact CB-OG1 3.27Å; L31-T38 WeakPolarHBondContact CB-OG1 3.49Å; L31-T38 HydrophobicContact CD1-CG2 4.08Å; L31-V90 HydrophobicContact CD1-CB 4.44Å; L31-V90 HydrophobicContact CD1-CG1 4.13Å; L31-V90 HydrophobicContact CD1-CG2 4.46Å; L31-V181 HydrophobicContact CD1-CG1 4.04Å; L31-I182 HydrophobicContact CD2-CD1 4.22Å; L31-I182 HydrophobicContact CD2-CG1 3.76Å; L31-I185 HydrophobicContact CD2-CD1 4.43Å
32T87.3Confident91.7Very high79 Ų7940.8 Ų40.849%0.48523%0.229SC..Hα-helixtrans-59.6-41.2172.9-56.90000111.9L28 F30 C34 G35L28-T32 VanDerWaalsContact O-CB 3.27Å; L28-T32 WeakPolarHBondContact O-CB 3.41Å; L28-T32 PolarHBondContact O-N 3.05Å; L28-T32 PolarHBondContact O-OG1 2.9Å; F30-T32 VanDerWaalsContact C-N 3.27Å; F30-T32 PolarHBondContact O-N 2.97Å; T32-C34 VanDerWaalsContact C-N 3.3Å; T32-C34 PolarHBondContact O-N 3.27Å; T32-G35 WeakPolarHBondContact O-CA 3.23Å; T32-G35 PolarHBondContact O-N 3.17Å
33S78Confident91.8Very high66 Ų6637.5 Ų37.546%0.46221%0.206SC..Hα-helixtrans-66.4-31.5175.580.30000112.9K29 F30 L31 G35K29-S33 WeakPolarHBondContact O-CB 3.33Å; K29-S33 PolarHBondContact O-N 3.38Å; F30-S33 CarbonylContact O-C 3.55Å; F30-S33 WeakPolarHBondContact O-CA 3.29Å; F30-S33 WeakPolarHBondContact O-CB 3.39Å; F30-S33 PolarHBondContact O-N 2.95Å; F30-S33 PolarHBondContact O-OG 2.86Å; L31-S33 VanDerWaalsContact C-N 3.32Å; L31-S33 PolarHBondContact O-N 2.91Å; S33-G35 PolarHBondContact O-N 2.8Å
34C77.4Confident91.6Very high12 Ų1239.9 Ų39.98%0.08122%0.219CC..THydrogen-bonded Turntrans-73.10.7169.8-66.80000112.7F30 L31 T32 I36 I190 R247F30-C34 PolarHBondContact O-N 3.25Å; F30-C34 PolarHBondContact O-SG 3.23Å; L31-C34 CarbonylContact O-C 3.57Å; L31-C34 WeakPolarHBondContact O-CA 3.45Å; L31-C34 WeakPolarHBondContact O-CB 3.44Å; L31-C34 PolarHBondContact O-N 3.41Å; L31-C34 VanDerWaalsContact O-N 3.07Å; T32-C34 VanDerWaalsContact C-N 3.3Å; T32-C34 PolarHBondContact O-N 3.27Å; C34-I36 VanDerWaalsContact C-N 3.26Å; C34-I36 HydrophobicContact CB-CD1 3.82Å; C34-I36 HydrophobicContact CB-CG1 4.39Å; C34-I36 PolarHBondContact O-N 3.33Å; C34-I190 PolarHBondContact SG-O 3.23Å; C34-R247 VanDerWaalsContact C-NH2 3.31Å; C34-R247 PolarHBondContact O-NH2 2.85Å
35G78Confident91.5Very high48 Ų4846.5 Ų46.550%0.49525%0.25SC..THydrogen-bonded Turntrans72.315.9-178.800000114.4L31 T32 S33L31-G35 PolarHBondContact O-N 2.67Å; T32-G35 WeakPolarHBondContact O-CA 3.23Å; T32-G35 PolarHBondContact O-N 3.17Å; S33-G35 PolarHBondContact O-N 2.8Å
36I86.5Confident91.6Very high16 Ų1644.7 Ų44.78%0.08224%0.236CC..  trans-84.9124.7173.9-63151.6000106.9L31 C34 T38 Q89 V90 I185L31-I36 CarbonylContact C-O 3.56Å; L31-I36 HydrophobicContact CB-CB 4.23Å; L31-I36 HydrophobicContact CB-CD1 4.48Å; L31-I36 HydrophobicContact CB-CG2 4.46Å; L31-I36 HydrophobicContact CD2-CD1 3.87Å; L31-I36 WeakPolarHBondContact O-CB 2.91Å; L31-I36 PolarHBondContact O-N 2.99Å; C34-I36 VanDerWaalsContact C-N 3.26Å; C34-I36 HydrophobicContact CB-CD1 3.82Å; C34-I36 HydrophobicContact CB-CG1 4.39Å; C34-I36 PolarHBondContact O-N 3.33Å; I36-T38 PolarHBondContact O-N 2.91Å; I36-T38 VanDerWaalsContact O-N 3.16Å; I36-T38 PolarHBondContact O-OG1 3.03Å; I36-Q89 HydrophobicContact CG2-CB 3.99Å; I36-V90 HydrophobicContact CG2-CG2 3.81Å; I36-I185 HydrophobicContact CD1-CD1 3.38Å; I36-I185 HydrophobicContact CG1-CD1 4.03Å; I36-I185 HydrophobicContact CG2-CD1 3.99Å
37K91.7Very high91.6Very high110 Ų11044.6 Ų44.648%0.47824%0.236SC..  trans-71.9111.4177.7-168.8174.6-175.1172.10108.8D86 P88 Q89 V90K37-D86 WeakPolarHBondContact CE-O 3.11Å; K37-D86 PolarHBondContact NZ-O 2.81Å; K37-P88 HydrophobicContact CG-CB 4.39Å; K37-P88 CarbonylContact O-C 3.58Å; K37-P88 WeakPolarHBondContact O-CA 3.15Å; K37-P88 WeakPolarHBondContact O-CB 3.23Å; K37-Q89 VanDerWaalsContact N-OE1 3.08Å; K37-Q89 PolarHBondContact O-N 3.37Å; K37-V90 PolarHBondContact O-N 3.44Å
38T95.3Very high91.6Very high19 Ų1949 Ų4912%0.11726%0.256CS..EExtended strand (participates in β ladder)trans-123.1137.8-175-56.90000111.1L28 L31 I36 V90 L92L28-T38 HydrophobicContact CD1-CG2 3.76Å; L28-T38 WeakPolarHBondContact CD1-O 3.27Å; L31-T38 VanDerWaalsContact CB-OG1 3.27Å; L31-T38 WeakPolarHBondContact CB-OG1 3.49Å; L31-T38 HydrophobicContact CD1-CG2 4.08Å; I36-T38 PolarHBondContact O-N 2.91Å; I36-T38 VanDerWaalsContact O-N 3.16Å; I36-T38 PolarHBondContact O-OG1 3.03Å; T38-V90 CarbonylContact C-O 3.49Å; T38-V90 VanDerWaalsContact CA-O 3.25Å; T38-V90 WeakPolarHBondContact CA-O 3.39Å; T38-V90 HydrophobicContact CG2-CB 4.12Å; T38-V90 HydrophobicContact CG2-CG1 4.22Å; T38-L92 HydrophobicContact CG2-CD1 3.88Å; T38-L92 HydrophobicContact CG2-CG 3.83Å
39A97.6Very high91.5Very high17 Ų1755.2 Ų55.214%0.1428%0.283CS..EExtended strand (participates in β ladder)trans-111.2153.3169.200000110.3I82 P88 V90 I91 L92A39-I82 HydrophobicContact CB-CG2 3.67Å; A39-P88 HydrophobicContact CB-CB 4.22Å; A39-P88 HydrophobicContact CB-CG 4.13Å; A39-V90 PolarHBondContact N-O 3.43Å; A39-I91 HydrophobicContact CB-CG1 4.49Å; A39-L92 PolarHBondContact O-N 3.38Å
40L98.5Very high91.5Very high36 Ų3650.4 Ų50.419%0.18827%0.272CS..EExtended strand (participates in β ladder)trans-128.7126.7176.4174.562.2000109.7A24 L28 Q42 L92 E94A24-L40 HydrophobicContact CB-CD1 3.89Å; L28-L40 HydrophobicContact CD1-CB 4.33Å; L28-L40 HydrophobicContact CD2-CB 3.9Å; L28-L40 HydrophobicContact CD2-CD2 4.01Å; L28-L40 HydrophobicContact CG-CB 4.49Å; L40-Q42 HydrophobicContact CD1-CG 4.37Å; L40-Q42 HydrophobicContact CD2-CG 4.22Å; L40-Q42 HydrophobicContact CG-CG 4.03Å; L40-L92 CarbonylContact C-O 3.59Å; L40-L92 WeakPolarHBondContact CA-O 3.45Å; L40-L92 HydrophobicContact CD1-CB 3.69Å; L40-E94 HydrophobicContact CD1-CB 4.43Å
41L98.4Very high91.8Very high5 Ų552.3 Ų52.33%0.02629%0.285CS..EExtended strand (participates in β ladder)trans-112.8128.8170.3-66.8175.1000109F46 L75 Q78 M79 I82 I91 L92 V93 E94L41-F46 HydrophobicContact CD2-CZ 4.2Å; L41-L75 HydrophobicContact CD1-CD2 4.32Å; L41-Q78 HydrophobicContact CD2-CG 3.91Å; L41-M79 HydrophobicContact CD1-CB 3.55Å; L41-M79 HydrophobicContact CD1-CG 4.01Å; L41-I82 HydrophobicContact CD2-CD1 3.71Å; L41-I82 HydrophobicContact CG-CD1 4.28Å; L41-I91 HydrophobicContact CD1-CG2 4.37Å; L41-L92 PolarHBondContact N-O 3.24Å; L41-V93 HydrophobicContact CB-CG1 4.45Å; L41-V93 HydrophobicContact CB-CG2 4.42Å; L41-V93 WeakPolarHBondContact O-CA 3.5Å; L41-E94 PolarHBondContact O-N 3.49Å
42Q98Very high91.9Very high48 Ų4863.1 Ų63.122%0.22433%0.326CS..EExtended strand (participates in β ladder)trans-113.7122.9-179.5-60.2-178-95.400108.6L40 D44 H45 F46L40-Q42 HydrophobicContact CD1-CG 4.37Å; L40-Q42 HydrophobicContact CD2-CG 4.22Å; L40-Q42 HydrophobicContact CG-CG 4.03Å; Q42-D44 PolarHBondContact O-N 3.25Å; Q42-D44 VanDerWaalsContact O-N 3.16Å; Q42-H45 WeakPolarHBondContact O-CB 3.41Å; Q42-H45 PolarHBondContact O-N 2.94Å; Q42-H45 PolarHBondContact OE1-CE1 2.8Å; Q42-F46 WeakPolarHBondContact O-CD2 3.5Å; Q42-F46 WeakPolarHBondContact O-CE2 3.14Å
43Q97.6Very high92.2Very high0 Ų067 Ų670%034%0.338CS..G310 helixtrans-53.2-36.1179.5-173.7-161.4-6600112.1H45 F46 Y47 V70 F72 E94 G95 N96 I98Q43-H45 PolarHBondContact O-N 3.14Å; Q43-F46 PolarHBondContact O-N 3.45Å; Q43-Y47 PolarHBondContact NE2-OH 3.44Å; Q43-V70 HydrophobicContact CG-CG1 3.77Å; Q43-V70 HydrophobicContact CG-CG2 3.99Å; Q43-F72 HydrophobicContact CG-CE1 4.13Å; Q43-F72 HydrophobicContact CG-CZ 4.19Å; Q43-E94 WeakPolarHBondContact CB-O 3.41Å; Q43-E94 PolarHBondContact N-O 3.33Å; Q43-G95 VanDerWaalsContact OE1-C 3.27Å; Q43-N96 PolarHBondContact NE2-OD1 3.18Å; Q43-N96 PolarHBondContact OE1-OD1 3.44Å; Q43-I98 HydrophobicContact CB-CG2 4.21Å; Q43-I98 HydrophobicContact CG-CG2 4.47Å
44D94.6Very high93Very high51 Ų5164.6 Ų64.627%0.27332%0.32SS..G310 helixtrans-58.9-19.3-179.6-65.73.7000113Q42 F46 Y47 R128Q42-D44 PolarHBondContact O-N 3.25Å; Q42-D44 VanDerWaalsContact O-N 3.16Å; D44-F46 VanDerWaalsContact C-N 3.32Å; D44-Y47 HydrophobicContact CB-CD2 4.45Å; D44-Y47 HydrophobicContact CB-CE2 4.19Å; D44-Y47 WeakPolarHBondContact O-CD2 3.34Å; D44-R128 IonicContact OD2-NH2 3.76Å; D44-R128 PolarHBondContact OD2-NH2 2.64Å
45H96.2Very high93.8Very high138 Ų13868.7 Ų68.764%0.63933%0.334SS*.G310 helixtrans-84.2-3.8174.8-62.3165.8000114.3Q42 Q43Q42-H45 WeakPolarHBondContact O-CB 3.41Å; Q42-H45 PolarHBondContact O-N 2.94Å; Q42-H45 PolarHBondContact OE1-CE1 2.8Å; Q43-H45 PolarHBondContact O-N 3.14Å
46F97.4Very high94.7Very high6 Ų667.3 Ų67.33%0.02632%0.316CS..G310 helixtrans-118.115.4-176.3-57.8-89.2000112.2L41 Q42 Q43 D44 K48 V70 D71 Q74 L75 Q78L41-F46 HydrophobicContact CD2-CZ 4.2Å; Q42-F46 WeakPolarHBondContact O-CD2 3.5Å; Q42-F46 WeakPolarHBondContact O-CE2 3.14Å; Q43-F46 PolarHBondContact O-N 3.45Å; D44-F46 VanDerWaalsContact C-N 3.32Å; F46-K48 PolarHBondContact O-N 3.36Å; F46-V70 HydrophobicContact CB-CG1 3.94Å; F46-V70 CarbonylContact O-C 3.58Å; F46-V70 WeakPolarHBondContact O-CA 3.33Å; F46-D71 PolarHBondContact O-N 2.75Å; F46-Q74 HydrophobicContact CD1-CB 4.2Å; F46-Q74 HydrophobicContact CD1-CG 4.08Å; F46-Q74 HydrophobicContact CE1-CG 4.21Å; F46-L75 HydrophobicContact CD1-CB 3.93Å; F46-L75 HydrophobicContact CD2-CB 4.08Å; F46-L75 HydrophobicContact CD2-CD1 3.83Å; F46-L75 HydrophobicContact CD2-CG 3.94Å; F46-L75 HydrophobicContact CE1-CB 4.02Å; F46-L75 HydrophobicContact CE1-CG 4.46Å; F46-L75 HydrophobicContact CE2-CB 4.18Å; F46-L75 HydrophobicContact CE2-CD1 4.07Å; F46-L75 HydrophobicContact CE2-CG 3.8Å; F46-L75 HydrophobicContact CG-CB 3.94Å; F46-L75 HydrophobicContact CG-CD1 4.37Å; F46-L75 HydrophobicContact CG-CG 4.33Å; F46-L75 HydrophobicContact CZ-CB 4.14Å; F46-L75 HydrophobicContact CZ-CG 4.06Å; F46-Q78 HydrophobicContact CE1-CB 4.22Å; F46-Q78 HydrophobicContact CZ-CB 4.26Å; F46-Q78 HydrophobicContact CZ-CG 4.48Å
47Y95.9Very high95.1Very high73 Ų7369.8 Ų69.829%0.28634%0.339SS..BIsolated β-bridgetrans-62.7134.8168.9-79.9-65.6000110.2Q43 D44 F64 A69 V70 M97Q43-Y47 PolarHBondContact NE2-OH 3.44Å; D44-Y47 HydrophobicContact CB-CD2 4.45Å; D44-Y47 HydrophobicContact CB-CE2 4.19Å; D44-Y47 WeakPolarHBondContact O-CD2 3.34Å; Y47-F64 HydrophobicContact CD1-CD1 4.2Å; Y47-F64 HydrophobicContact CE1-CB 4.19Å; Y47-F64 WeakPolarHBondContact CE1-O 3.32Å; Y47-F64 PolarHBondContact OH-O 3.42Å; Y47-A69 WeakPolarHBondContact CA-O 3.23Å; Y47-A69 HydrophobicContact CD1-CB 4.14Å; Y47-A69 WeakPolarHBondContact CD1-O 3.28Å; Y47-A69 HydrophobicContact CE1-CB 4.24Å; Y47-V70 HydrophobicContact CD1-CG2 3.76Å; Y47-V70 HydrophobicContact CE1-CG2 3.51Å; Y47-M97 HydrophobicContact CE1-CE 4.29Å
48K95.2Very high95.3Very high94 Ų9472.1 Ų72.141%0.40935%0.351SS..PPolyproline II helixtrans-75.9165.9172.6-61.7175.1-169.9154.20109.9F46 E68 A69 V70 D71F46-K48 PolarHBondContact O-N 3.36Å; K48-E68 WeakPolarHBondContact CD-O 3.44Å; K48-E68 PolarHBondContact NZ-O 3.25Å; K48-A69 PolarHBondContact N-O 3.28Å; K48-V70 WeakPolarHBondContact CE-O 3.21Å; K48-V70 PolarHBondContact NZ-O 2.98Å; K48-D71 HydrophobicContact CG-CB 4.14Å
49E92.9Very high95.2Very high175 Ų17572.2 Ų72.282%0.81835%0.351SS*.PPolyproline II helixtrans-59.3147.5168.4-65.6-173.7173.500110.9T51E49-T51 VanDerWaalsContact O-CG2 3.27Å; E49-T51 WeakPolarHBondContact O-CG2 3.11Å; E49-T51 PolarHBondContact O-N 2.75Å; E49-T51 VanDerWaalsContact O-N 3.1Å
50A90.1Very high95.1Very high50 Ų5076.8 Ų76.841%0.41337%0.373SS..  trans-66.1109179.500000110.5W62A50-W62 HydrophobicContact CB-CB 4.47Å; A50-W62 HydrophobicContact CB-CD2 3.8Å; A50-W62 HydrophobicContact CB-CG 3.76Å; A50-W62 HydrophobicContact CB-CZ2 4.47Å
51T92.4Very high95Very high55 Ų5575.4 Ų75.434%0.33737%0.366SS..  trans-102.3169.5-17876.40000112.6E49 E53 L54 W62E49-T51 VanDerWaalsContact O-CG2 3.27Å; E49-T51 WeakPolarHBondContact O-CG2 3.11Å; E49-T51 PolarHBondContact O-N 2.75Å; E49-T51 VanDerWaalsContact O-N 3.1Å; T51-E53 VanDerWaalsContact C-N 3.27Å; T51-E53 WeakPolarHBondContact CB-OE2 3.42Å; T51-E53 PolarHBondContact O-N 3.19Å; T51-E53 PolarHBondContact OG1-OE2 3.19Å; T51-L54 PolarHBondContact O-N 2.73Å; T51-W62 PolarHBondContact O-NE1 3.46Å
52R91Very high94.9Very high228 Ų22879.1 Ų79.186%0.8638%0.379SS*.G310 helixtrans-66.4-29.7177.8-72-175.6177.7-179-0.6112.5L54 Y55R52-L54 PolarHBondContact O-N 3.48Å; R52-Y55 WeakPolarHBondContact O-CB 3.39Å; R52-Y55 PolarHBondContact O-N 2.84Å
53E92.7Very high94.8Very high159 Ų15977.6 Ų77.674%0.74337%0.373SS*.G310 helixtrans-68.1-24.3179.8-59.573.7-158.600112.5T51T51-E53 VanDerWaalsContact C-N 3.27Å; T51-E53 WeakPolarHBondContact CB-OE2 3.42Å; T51-E53 PolarHBondContact O-N 3.19Å; T51-E53 PolarHBondContact OG1-OE2 3.19Å
54L94.7Very high94.6Very high16 Ų1679.6 Ų79.68%0.08438%0.381CS..G310 helixtrans-93.3-4.6176.7-62.6172.6000112.6T51 R52 W62 N63 E68 A69T51-L54 PolarHBondContact O-N 2.73Å; R52-L54 PolarHBondContact O-N 3.48Å; L54-W62 CarbonylContact O-C 3.52Å; L54-W62 WeakPolarHBondContact O-CA 3.48Å; L54-N63 WeakPolarHBondContact O-CB 3.38Å; L54-N63 PolarHBondContact O-N 2.81Å; L54-E68 HydrophobicContact CD2-CB 4.17Å; L54-A69 HydrophobicContact CD1-CB 3.85Å; L54-A69 HydrophobicContact CD2-CB 4.23Å
55Y96.1Very high94.6Very high98 Ų9877.5 Ų77.538%0.38437%0.37SS..EExtended strand (participates in β ladder)trans-75.2130.9-175.1-177.9-104.7000111.9R52 A57 D60R52-Y55 WeakPolarHBondContact O-CB 3.39Å; R52-Y55 PolarHBondContact O-N 2.84Å; Y55-A57 HydrophobicContact CE1-CB 4.19Å; Y55-D60 WeakPolarHBondContact CE2-OD1 3.3Å; Y55-D60 PolarHBondContact OH-OD1 3.37Å
56I95.6Very high94.5Very high19 Ų1971.4 Ų71.410%0.09734%0.343CS..EExtended strand (participates in β ladder)trans-106104.5179-54.8155.2000107.4E58 L59 D60 H61 N63 Y138 I142I56-E58 VanDerWaalsContact C-N 3.28Å; I56-E58 WeakPolarHBondContact CG2-OE2 3.49Å; I56-E58 PolarHBondContact O-N 3.43Å; I56-L59 HydrophobicContact CB-CB 4.4Å; I56-L59 HydrophobicContact CD1-CD1 4.49Å; I56-L59 HydrophobicContact CG2-CB 4.02Å; I56-L59 HydrophobicContact CG2-CD1 4.2Å; I56-L59 HydrophobicContact CG2-CG 4.02Å; I56-L59 PolarHBondContact O-N 3.3Å; I56-D60 PolarHBondContact O-N 3.48Å; I56-H61 WeakPolarHBondContact CB-O 3.37Å; I56-H61 PolarHBondContact N-O 3.17Å; I56-H61 PolarHBondContact O-N 3.36Å; I56-N63 HydrophobicContact CD1-CB 3.67Å; I56-N63 HydrophobicContact CG1-CB 3.96Å; I56-Y138 HydrophobicContact CD1-CD2 4.42Å; I56-Y138 HydrophobicContact CD1-CE2 3.99Å; I56-I142 HydrophobicContact CD1-CD1 3.67Å; I56-I142 HydrophobicContact CD1-CG1 3.71Å; I56-I142 HydrophobicContact CD1-CG2 4.36Å; I56-I142 HydrophobicContact CG1-CD1 4.29Å; I56-I142 HydrophobicContact CG2-CD1 4.39Å
57A94.9Very high94.4Very high69 Ų6973.3 Ų73.357%0.5735%0.353SS*.THydrogen-bonded Turntrans-64-33.8-173.900000112.8Y55 L59Y55-A57 HydrophobicContact CE1-CB 4.19Å; A57-L59 VanDerWaalsContact C-N 3.26Å; A57-L59 PolarHBondContact O-N 2.84Å
58E95.3Very high94.4Very high158 Ų15875.2 Ų75.274%0.73837%0.365SS*.THydrogen-bonded Turntrans-68.5-26.2-178.2-61.674.7-163.800112.8I56I56-E58 VanDerWaalsContact C-N 3.28Å; I56-E58 WeakPolarHBondContact CG2-OE2 3.49Å; I56-E58 PolarHBondContact O-N 3.43Å
59L95.1Very high94.4Very high21 Ų2170.8 Ų70.811%0.1135%0.346CS..THydrogen-bonded Turntrans-109.9-6.1-176.9-65-176.3000113.2I56 A57 H61 V135 Y138 I142I56-L59 HydrophobicContact CB-CB 4.4Å; I56-L59 HydrophobicContact CD1-CD1 4.49Å; I56-L59 HydrophobicContact CG2-CB 4.02Å; I56-L59 HydrophobicContact CG2-CD1 4.2Å; I56-L59 HydrophobicContact CG2-CG 4.02Å; I56-L59 PolarHBondContact O-N 3.3Å; A57-L59 VanDerWaalsContact C-N 3.26Å; A57-L59 PolarHBondContact O-N 2.84Å; L59-H61 HydrophobicContact CB-CB 4.14Å; L59-H61 PolarHBondContact O-N 3.04Å; L59-V135 HydrophobicContact CB-CG2 3.99Å; L59-Y138 HydrophobicContact CD1-CD2 4.08Å; L59-I142 HydrophobicContact CD1-CD1 4.41Å; L59-I142 HydrophobicContact CD1-CG1 3.74Å
60D95Very high94.6Very high113 Ų11362.6 Ų62.660%0.60431%0.307SS*.THydrogen-bonded Turntrans47.347.5-169.8-168.625.8000111.9Y55 I56Y55-D60 WeakPolarHBondContact CE2-OD1 3.3Å; Y55-D60 PolarHBondContact OH-OD1 3.37Å; I56-D60 PolarHBondContact O-N 3.48Å
61H95.5Very high95Very high7 Ų762.6 Ų62.63%0.03230%0.301CS..EExtended strand (participates in β ladder)trans-149.6168.3-171.2-157.472.1000112.1I56 L59 F64 P132 P133 V135 Y138I56-H61 WeakPolarHBondContact CB-O 3.37Å; I56-H61 PolarHBondContact N-O 3.17Å; I56-H61 PolarHBondContact O-N 3.36Å; L59-H61 HydrophobicContact CB-CB 4.14Å; L59-H61 PolarHBondContact O-N 3.04Å; H61-F64 AromaticContact NE2-CE2 3.97Å; H61-P132 VanDerWaalsContact CE1-CG 3.49Å; H61-P132 WeakPolarHBondContact CE1-CG 3.27Å; H61-P133 PolarHBondContact CE1-O 3.27Å; H61-P133 VanDerWaalsContact CE1-O 3.27Å; H61-V135 HydrophobicContact CB-CG1 4.3Å; H61-V135 HydrophobicContact CB-CG2 3.74Å; H61-Y138 AromaticContact CD2-CD2 3.61Å; H61-Y138 AromaticContact CD2-CE2 3.62Å
62W96Very high95.3Very high83 Ų8360.2 Ų60.231%0.31429%0.286SS..EExtended strand (participates in β ladder)trans-101.9143.4178.1-64.2-92.8000112.2A50 T51 L54 F64 Y138A50-W62 HydrophobicContact CB-CB 4.47Å; A50-W62 HydrophobicContact CB-CD2 3.8Å; A50-W62 HydrophobicContact CB-CG 3.76Å; A50-W62 HydrophobicContact CB-CZ2 4.47Å; T51-W62 PolarHBondContact O-NE1 3.46Å; L54-W62 CarbonylContact O-C 3.52Å; L54-W62 WeakPolarHBondContact O-CA 3.48Å; W62-F64 HydrophobicContact CB-CD2 4.34Å; W62-F64 HydrophobicContact CB-CE2 3.79Å; W62-F64 HydrophobicContact CB-CZ 3.92Å; W62-F64 VanDerWaalsContact O-CD2 3.31Å; W62-F64 WeakPolarHBondContact O-CD2 3.42Å; W62-F64 PolarHBondContact O-N 3.1Å; W62-F64 VanDerWaalsContact O-N 3.14Å; W62-Y138 WeakPolarHBondContact O-CE2 3.48Å
63N95.9Very high95.6Very high16 Ų1655.4 Ų55.49%0.08627%0.273CS..  trans-80.987.3178.1-171.1-5.3000111L54 I56 D65 S66 I142 Y146L54-N63 WeakPolarHBondContact O-CB 3.38Å; L54-N63 PolarHBondContact O-N 2.81Å; I56-N63 HydrophobicContact CD1-CB 3.67Å; I56-N63 HydrophobicContact CG1-CB 3.96Å; N63-D65 VanDerWaalsContact C-N 3.27Å; N63-D65 PolarHBondContact OD1-N 3.45Å; N63-S66 PolarHBondContact OD1-N 3.31Å; N63-S66 VanDerWaalsContact OD1-N 3.17Å; N63-I142 WeakPolarHBondContact OD1-CG2 3.35Å; N63-Y146 VanDerWaalsContact ND2-CE2 3.34Å; N63-Y146 WeakPolarHBondContact ND2-CE2 3.48Å; N63-Y146 PolarHBondContact ND2-OH 3.3Å
64F94.5Very high95.9Very high42 Ų4252.6 Ų52.618%0.18426%0.26CS..THydrogen-bonded Turntrans-78.7-9.1174.9-64.3-74.6000113.4Y47 H61 W62 S66 M97 P132 Y138Y47-F64 HydrophobicContact CD1-CD1 4.2Å; Y47-F64 HydrophobicContact CE1-CB 4.19Å; Y47-F64 WeakPolarHBondContact CE1-O 3.32Å; Y47-F64 PolarHBondContact OH-O 3.42Å; H61-F64 AromaticContact NE2-CE2 3.97Å; W62-F64 HydrophobicContact CB-CD2 4.34Å; W62-F64 HydrophobicContact CB-CE2 3.79Å; W62-F64 HydrophobicContact CB-CZ 3.92Å; W62-F64 VanDerWaalsContact O-CD2 3.31Å; W62-F64 WeakPolarHBondContact O-CD2 3.42Å; W62-F64 PolarHBondContact O-N 3.1Å; W62-F64 VanDerWaalsContact O-N 3.14Å; F64-S66 VanDerWaalsContact C-N 3.35Å; F64-M97 WeakPolarHBondContact O-CE 3.5Å; F64-P132 HydrophobicContact CE2-CG 3.73Å; F64-P132 HydrophobicContact CZ-CG 4.1Å; F64-Y138 PolarHBondContact N-OH 2.74Å
65D94.5Very high96.1Very high8 Ų851.9 Ų51.94%0.04326%0.256CS..THydrogen-bonded Turntrans-94.46.2177.3-67.5-96.5000112.4N63 N96 R125 Y138 I142 A143 Y146N63-D65 VanDerWaalsContact C-N 3.27Å; N63-D65 PolarHBondContact OD1-N 3.45Å; D65-N96 PolarHBondContact OD1-ND2 2.85Å; D65-N96 VanDerWaalsContact OD1-ND2 3.13Å; D65-R125 IonicContact OD2-NH2 3.64Å; D65-Y138 PolarHBondContact N-OH 3.13Å; D65-Y138 WeakPolarHBondContact OD2-CE1 3.47Å; D65-Y138 PolarHBondContact OD2-OH 3.16Å; D65-I142 HydrophobicContact CB-CG2 4.42Å; D65-A143 HydrophobicContact CB-CB 4.42Å; D65-A143 WeakPolarHBondContact OD2-CB 3.32Å; D65-Y146 HydrophobicContact CB-CD2 4.34Å; D65-Y146 HydrophobicContact CB-CG 4.18Å; D65-Y146 WeakPolarHBondContact O-CD1 3.3Å; D65-Y146 WeakPolarHBondContact O-CE1 3.23Å
66S94.5Very high96.2Very high10 Ų1047.6 Ų47.67%0.0724%0.24CC..SBendtrans-82.4142.9170.1-144.30000111.8N63 F64 E68 A69 Y146N63-S66 PolarHBondContact OD1-N 3.31Å; N63-S66 VanDerWaalsContact OD1-N 3.17Å; F64-S66 VanDerWaalsContact C-N 3.35Å; S66-E68 WeakPolarHBondContact CB-OE2 3.39Å; S66-E68 PolarHBondContact O-N 3.45Å; S66-E68 VanDerWaalsContact O-N 3.16Å; S66-E68 PolarHBondContact OG-OE2 3.19Å; S66-A69 VanDerWaalsContact O-CB 3.24Å; S66-A69 WeakPolarHBondContact O-CB 3.5Å; S66-A69 PolarHBondContact O-N 3.24Å; S66-Y146 PolarHBondContact OG-OH 3.42Å; S66-Y146 VanDerWaalsContact OG-OH 3.06Å
67I94.8Very high96.3Very high46 Ų4650.7 Ų50.724%0.23626%0.257CS..G310 helixtrans-59.1-30.6176.6-165.8-179.9000111.7A69 V70 F72 E100 Y101I67-A69 PolarHBondContact O-N 2.89Å; I67-V70 PolarHBondContact O-N 2.72Å; I67-F72 HydrophobicContact CG1-CD2 3.88Å; I67-F72 HydrophobicContact CG1-CE2 3.58Å; I67-E100 HydrophobicContact CD1-CB 3.93Å; I67-Y101 HydrophobicContact CD1-CD2 4.39Å
68E95.3Very high96.4Very high112 Ų11251.5 Ų51.552%0.52325%0.249SC..G310 helixtrans-67.7-22.5177.8-63.574.2-162.200112.9K48 L54 S66 V70K48-E68 WeakPolarHBondContact CD-O 3.44Å; K48-E68 PolarHBondContact NZ-O 3.25Å; L54-E68 HydrophobicContact CD2-CB 4.17Å; S66-E68 WeakPolarHBondContact CB-OE2 3.39Å; S66-E68 PolarHBondContact O-N 3.45Å; S66-E68 VanDerWaalsContact O-N 3.16Å; S66-E68 PolarHBondContact OG-OE2 3.19Å; E68-V70 PolarHBondContact O-N 2.81Å
69A96.3Very high96.5Very high1 Ų144.1 Ų44.11%0.00822%0.215CC..G310 helixtrans-70.6-16.3178.600000113Y47 K48 L54 S66 I67Y47-A69 WeakPolarHBondContact CA-O 3.23Å; Y47-A69 HydrophobicContact CD1-CB 4.14Å; Y47-A69 WeakPolarHBondContact CD1-O 3.28Å; Y47-A69 HydrophobicContact CE1-CB 4.24Å; K48-A69 PolarHBondContact N-O 3.28Å; L54-A69 HydrophobicContact CD1-CB 3.85Å; L54-A69 HydrophobicContact CD2-CB 4.23Å; S66-A69 VanDerWaalsContact O-CB 3.24Å; S66-A69 WeakPolarHBondContact O-CB 3.5Å; S66-A69 PolarHBondContact O-N 3.24Å; I67-A69 PolarHBondContact O-N 2.89Å
70V97.1Very high96.6Very high3 Ų347.7 Ų47.72%0.01823%0.229CC..BIsolated β-bridgetrans-111.9137.3-177.3-176.50000110.7Q43 F46 Y47 K48 I67 E68 F72 M97Q43-V70 HydrophobicContact CG-CG1 3.77Å; Q43-V70 HydrophobicContact CG-CG2 3.99Å; F46-V70 HydrophobicContact CB-CG1 3.94Å; F46-V70 CarbonylContact O-C 3.58Å; F46-V70 WeakPolarHBondContact O-CA 3.33Å; Y47-V70 HydrophobicContact CD1-CG2 3.76Å; Y47-V70 HydrophobicContact CE1-CG2 3.51Å; K48-V70 WeakPolarHBondContact CE-O 3.21Å; K48-V70 PolarHBondContact NZ-O 2.98Å; I67-V70 PolarHBondContact O-N 2.72Å; E68-V70 PolarHBondContact O-N 2.81Å; V70-F72 VanDerWaalsContact C-N 3.31Å; V70-F72 HydrophobicContact CB-CD2 3.86Å; V70-F72 HydrophobicContact CB-CE2 3.57Å; V70-F72 HydrophobicContact CB-CG 4.49Å; V70-F72 HydrophobicContact CB-CZ 3.98Å; V70-F72 HydrophobicContact CG1-CD1 4.12Å; V70-F72 HydrophobicContact CG1-CD2 3.96Å; V70-F72 HydrophobicContact CG1-CE1 4.01Å; V70-F72 HydrophobicContact CG1-CE2 3.84Å; V70-F72 HydrophobicContact CG1-CG 4.09Å; V70-F72 HydrophobicContact CG1-CZ 3.87Å; V70-F72 HydrophobicContact CG2-CE2 4.21Å; V70-F72 HydrophobicContact CG2-CZ 4.34Å; V70-F72 PolarHBondContact O-N 3.37Å; V70-F72 VanDerWaalsContact O-N 3.14Å; V70-M97 HydrophobicContact CG2-CE 3.66Å
71D97.8Very high96.6Very high51 Ų5146 Ų4627%0.27322%0.223SC..  trans-83.574.5168.6-165.3-17.4000110.9F46 K48 Q73 Q74 L75F46-D71 PolarHBondContact O-N 2.75Å; K48-D71 HydrophobicContact CG-CB 4.14Å; D71-Q73 PolarHBondContact O-N 2.86Å; D71-Q73 PolarHBondContact OD1-N 3.24Å; D71-Q74 HydrophobicContact CB-CB 3.97Å; D71-Q74 PolarHBondContact O-N 2.96Å; D71-Q74 WeakPolarHBondContact OD1-CB 3.32Å; D71-Q74 PolarHBondContact OD1-N 3.08Å; D71-L75 PolarHBondContact O-N 2.92Å
72F98.3Very high96.6Very high4 Ų446.7 Ų46.72%0.01823%0.226CC..Hα-helixtrans-63.2-25.4176.2-75.6-70.9000113.3Q43 I67 V70 L75 V76 M97 I98 Y101 L104Q43-F72 HydrophobicContact CG-CE1 4.13Å; Q43-F72 HydrophobicContact CG-CZ 4.19Å; I67-F72 HydrophobicContact CG1-CD2 3.88Å; I67-F72 HydrophobicContact CG1-CE2 3.58Å; V70-F72 VanDerWaalsContact C-N 3.31Å; V70-F72 HydrophobicContact CB-CD2 3.86Å; V70-F72 HydrophobicContact CB-CE2 3.57Å; V70-F72 HydrophobicContact CB-CG 4.49Å; V70-F72 HydrophobicContact CB-CZ 3.98Å; V70-F72 HydrophobicContact CG1-CD1 4.12Å; V70-F72 HydrophobicContact CG1-CD2 3.96Å; V70-F72 HydrophobicContact CG1-CE1 4.01Å; V70-F72 HydrophobicContact CG1-CE2 3.84Å; V70-F72 HydrophobicContact CG1-CG 4.09Å; V70-F72 HydrophobicContact CG1-CZ 3.87Å; V70-F72 HydrophobicContact CG2-CE2 4.21Å; V70-F72 HydrophobicContact CG2-CZ 4.34Å; V70-F72 PolarHBondContact O-N 3.37Å; V70-F72 VanDerWaalsContact O-N 3.14Å; F72-L75 HydrophobicContact CD1-CD1 4.23Å; F72-L75 HydrophobicContact CE1-CD1 4.46Å; F72-L75 PolarHBondContact O-N 3.11Å; F72-V76 WeakPolarHBondContact O-CG2 3.39Å; F72-V76 PolarHBondContact O-N 3.15Å; F72-M97 HydrophobicContact CE2-CB 4.35Å; F72-M97 HydrophobicContact CZ-CB 3.8Å; F72-I98 HydrophobicContact CE1-CG2 4.3Å; F72-Y101 HydrophobicContact CB-CD1 3.37Å; F72-Y101 HydrophobicContact CB-CD2 3.82Å; F72-Y101 HydrophobicContact CB-CE1 3.68Å; F72-Y101 HydrophobicContact CB-CE2 4.13Å; F72-Y101 HydrophobicContact CB-CG 3.43Å; F72-Y101 VanDerWaalsContact CB-CG 3.43Å; F72-Y101 HydrophobicContact CD1-CG 4.41Å; F72-Y101 HydrophobicContact CD2-CD2 4.32Å; F72-Y101 HydrophobicContact CD2-CG 4.1Å; F72-Y101 HydrophobicContact CG-CD1 4.04Å; F72-Y101 HydrophobicContact CG-CD2 4.28Å; F72-Y101 AromaticContact CG-CG 3.74Å; F72-Y101 HydrophobicContact CG-CG 3.74Å; F72-L104 HydrophobicContact CD1-CD2 3.85Å; F72-L104 HydrophobicContact CE1-CD2 4.16Å
73Q98.1Very high96.5Very high127 Ų12745.8 Ų45.859%0.59323%0.226SC*.Hα-helixtrans-67-43.5175.4-172.617610.900110.2D71 V76 N77D71-Q73 PolarHBondContact O-N 2.86Å; D71-Q73 PolarHBondContact OD1-N 3.24Å; Q73-V76 PolarHBondContact O-N 2.81Å; Q73-N77 WeakPolarHBondContact O-CB 3.32Å; Q73-N77 PolarHBondContact O-N 3.37Å; Q73-N77 PolarHBondContact O-ND2 3.36Å
74Q98.3Very high96.4Very high101 Ų10152.6 Ų52.647%0.47226%0.255SS..Hα-helixtrans-62.9-40.8172.5-171.3-178.737.700111.8F46 D71 N77 Q78F46-Q74 HydrophobicContact CD1-CB 4.2Å; F46-Q74 HydrophobicContact CD1-CG 4.08Å; F46-Q74 HydrophobicContact CE1-CG 4.21Å; D71-Q74 HydrophobicContact CB-CB 3.97Å; D71-Q74 PolarHBondContact O-N 2.96Å; D71-Q74 WeakPolarHBondContact OD1-CB 3.32Å; D71-Q74 PolarHBondContact OD1-N 3.08Å; Q74-N77 PolarHBondContact O-N 3.02Å; Q74-Q78 WeakPolarHBondContact O-CB 3.31Å; Q74-Q78 PolarHBondContact O-N 3.5Å
75L98.5Very high96.4Very high0 Ų055 Ų550%027%0.273CS..Hα-helixtrans-58.4-50.1175.1-169.5165000111.4L41 F46 D71 F72 N77 Q78 M79 V93 L104L41-L75 HydrophobicContact CD1-CD2 4.32Å; F46-L75 HydrophobicContact CD1-CB 3.93Å; F46-L75 HydrophobicContact CD2-CB 4.08Å; F46-L75 HydrophobicContact CD2-CD1 3.83Å; F46-L75 HydrophobicContact CD2-CG 3.94Å; F46-L75 HydrophobicContact CE1-CB 4.02Å; F46-L75 HydrophobicContact CE1-CG 4.46Å; F46-L75 HydrophobicContact CE2-CB 4.18Å; F46-L75 HydrophobicContact CE2-CD1 4.07Å; F46-L75 HydrophobicContact CE2-CG 3.8Å; F46-L75 HydrophobicContact CG-CB 3.94Å; F46-L75 HydrophobicContact CG-CD1 4.37Å; F46-L75 HydrophobicContact CG-CG 4.33Å; F46-L75 HydrophobicContact CZ-CB 4.14Å; F46-L75 HydrophobicContact CZ-CG 4.06Å; D71-L75 PolarHBondContact O-N 2.92Å; F72-L75 HydrophobicContact CD1-CD1 4.23Å; F72-L75 HydrophobicContact CE1-CD1 4.46Å; F72-L75 PolarHBondContact O-N 3.11Å; L75-N77 VanDerWaalsContact C-N 3.32Å; L75-N77 PolarHBondContact O-N 2.93Å; L75-Q78 PolarHBondContact O-N 3.3Å; L75-M79 PolarHBondContact O-N 3.43Å; L75-V93 HydrophobicContact CD1-CG1 4.3Å; L75-V93 HydrophobicContact CD2-CG1 3.97Å; L75-L104 HydrophobicContact CD1-CD2 4.31Å; L75-L104 HydrophobicContact CD2-CD1 3.82Å; L75-L104 HydrophobicContact CD2-CD2 3.81Å; L75-L104 HydrophobicContact CD2-CG 4.48Å
76V98.3Very high96.3Very high8 Ų858.7 Ų58.75%0.04829%0.293CS..Hα-helixtrans-60.7-41176.7169.80000111.5F72 Q73 M79 K80 Y101 L104 L107F72-V76 WeakPolarHBondContact O-CG2 3.39Å; F72-V76 PolarHBondContact O-N 3.15Å; Q73-V76 PolarHBondContact O-N 2.81Å; V76-M79 PolarHBondContact O-N 3.25Å; V76-K80 HydrophobicContact CG1-CD 4.08Å; V76-K80 WeakPolarHBondContact O-CG 3.42Å; V76-K80 PolarHBondContact O-N 2.83Å; V76-Y101 HydrophobicContact CG2-CD1 4.49Å; V76-Y101 HydrophobicContact CG2-CE1 4.16Å; V76-L104 HydrophobicContact CG2-CB 3.76Å; V76-L104 HydrophobicContact CG2-CD1 4.02Å; V76-L104 HydrophobicContact CG2-CG 4.43Å; V76-L107 HydrophobicContact CG1-CD1 4.04Å; V76-L107 HydrophobicContact CG2-CD1 4.46Å
77N98Very high96.2Very high85 Ų8566.8 Ų66.846%0.45532%0.322SS..Hα-helixtrans-64.7-40.7177.3-72.9-24000112.1Q73 Q74 L75 K80 T81Q73-N77 WeakPolarHBondContact O-CB 3.32Å; Q73-N77 PolarHBondContact O-N 3.37Å; Q73-N77 PolarHBondContact O-ND2 3.36Å; Q74-N77 PolarHBondContact O-N 3.02Å; L75-N77 VanDerWaalsContact C-N 3.32Å; L75-N77 PolarHBondContact O-N 2.93Å; N77-K80 PolarHBondContact O-N 3.06Å; N77-T81 WeakPolarHBondContact O-CB 3.21Å; N77-T81 PolarHBondContact O-N 3.25Å; N77-T81 PolarHBondContact O-OG1 3.01Å
78Q97.9Very high96.3Very high86 Ų8664.9 Ų64.940%0.40231%0.312SS..Hα-helixtrans-66.5-41.3175.9-174.4170.4-20.300111L41 F46 Q74 L75 T81 I82L41-Q78 HydrophobicContact CD2-CG 3.91Å; F46-Q78 HydrophobicContact CE1-CB 4.22Å; F46-Q78 HydrophobicContact CZ-CB 4.26Å; F46-Q78 HydrophobicContact CZ-CG 4.48Å; Q74-Q78 WeakPolarHBondContact O-CB 3.31Å; Q74-Q78 PolarHBondContact O-N 3.5Å; L75-Q78 PolarHBondContact O-N 3.3Å; Q78-T81 WeakPolarHBondContact O-CB 3.21Å; Q78-T81 PolarHBondContact O-N 3.26Å; Q78-I82 HydrophobicContact CG-CD1 4.01Å; Q78-I82 HydrophobicContact CG-CG1 4.49Å; Q78-I82 WeakPolarHBondContact O-CG1 3.2Å; Q78-I82 PolarHBondContact O-N 2.86Å
79M97.1Very high96.2Very high3 Ų363.9 Ų63.92%0.01531%0.308CS..Hα-helixtrans-57.8-51.2174.4-171.9170.176.900112.1V9 L41 L75 V76 T81 I82 E83 I91 V93 L104 L107V9-M79 HydrophobicContact CG1-CE 4.35Å; V9-M79 HydrophobicContact CG1-SD 3.69Å; L41-M79 HydrophobicContact CD1-CB 3.55Å; L41-M79 HydrophobicContact CD1-CG 4.01Å; L75-M79 PolarHBondContact O-N 3.43Å; V76-M79 PolarHBondContact O-N 3.25Å; M79-T81 PolarHBondContact O-N 3.45Å; M79-I82 PolarHBondContact O-N 2.91Å; M79-E83 WeakPolarHBondContact O-CB 3.37Å; M79-E83 PolarHBondContact O-N 2.87Å; M79-I91 HydrophobicContact CG-CD1 3.96Å; M79-I91 HydrophobicContact CG-CG2 4.03Å; M79-I91 HydrophobicContact SD-CG2 4.2Å; M79-V93 HydrophobicContact SD-CG2 3.95Å; M79-L104 HydrophobicContact CE-CD1 4.12Å; M79-L104 HydrophobicContact SD-CD1 4.29Å; M79-L107 HydrophobicContact CE-CB 3.71Å; M79-L107 HydrophobicContact CE-CD1 3.19Å; M79-L107 HydrophobicContact CE-CG 4.03Å
80K96Very high96.2Very high95 Ų9563.9 Ų63.941%0.41331%0.307SS..Hα-helixtrans-62.2-31.7177-71.9175.1178.6174.70112.6V76 N77 K84V76-K80 HydrophobicContact CG1-CD 4.08Å; V76-K80 WeakPolarHBondContact O-CG 3.42Å; V76-K80 PolarHBondContact O-N 2.83Å; N77-K80 PolarHBondContact O-N 3.06Å; K80-K84 VanDerWaalsContact O-CG 3.3Å; K80-K84 WeakPolarHBondContact O-CG 3.46Å; K80-K84 PolarHBondContact O-N 2.91Å
81T96.7Very high96.2Very high77 Ų7763.7 Ų63.747%0.47231%0.306SS..Hα-helixtrans-67.2-52.6174.8-61.20000110.4N77 Q78 M79 E83 K84 T85N77-T81 WeakPolarHBondContact O-CB 3.21Å; N77-T81 PolarHBondContact O-N 3.25Å; N77-T81 PolarHBondContact O-OG1 3.01Å; Q78-T81 WeakPolarHBondContact O-CB 3.21Å; Q78-T81 PolarHBondContact O-N 3.26Å; M79-T81 PolarHBondContact O-N 3.45Å; T81-E83 VanDerWaalsContact C-N 3.31Å; T81-E83 PolarHBondContact O-N 2.69Å; T81-K84 PolarHBondContact O-N 2.85Å; T81-T85 HydrophobicContact CG2-CG2 4.08Å; T81-T85 WeakPolarHBondContact O-CG2 3.38Å; T81-T85 PolarHBondContact O-N 2.91Å; T81-T85 PolarHBondContact O-OG1 3.5Å
82I95.3Very high96.3Very high22 Ų2261.3 Ų61.311%0.11329%0.293CS..Hα-helixtrans-58.2-43.6179-70.4169.5000111.3A39 L41 Q78 M79 K84 T85 D86 R87 P88A39-I82 HydrophobicContact CB-CG2 3.67Å; L41-I82 HydrophobicContact CD2-CD1 3.71Å; L41-I82 HydrophobicContact CG-CD1 4.28Å; Q78-I82 HydrophobicContact CG-CD1 4.01Å; Q78-I82 HydrophobicContact CG-CG1 4.49Å; Q78-I82 WeakPolarHBondContact O-CG1 3.2Å; Q78-I82 PolarHBondContact O-N 2.86Å; M79-I82 PolarHBondContact O-N 2.91Å; I82-K84 PolarHBondContact O-N 2.98Å; I82-T85 PolarHBondContact O-N 3.09Å; I82-D86 HydrophobicContact CG2-CB 4.27Å; I82-D86 WeakPolarHBondContact O-CA 3.19Å; I82-D86 WeakPolarHBondContact O-CB 3.39Å; I82-D86 PolarHBondContact O-N 3.04Å; I82-R87 PolarHBondContact O-N 2.87Å; I82-R87 VanDerWaalsContact O-N 3.1Å; I82-P88 HydrophobicContact CG2-CG 3.93Å; I82-P88 WeakPolarHBondContact O-CD 3.42Å
83E93.8Very high96.3Very high64 Ų6461.1 Ų61.130%0.29929%0.293SS..Hα-helixtrans-57.9-38.4177.3-174.4170.4-154.200112S7 M79 T81 R87 I91S7-E83 PolarHBondContact N-OE1 2.82Å; M79-E83 WeakPolarHBondContact O-CB 3.37Å; M79-E83 PolarHBondContact O-N 2.87Å; T81-E83 VanDerWaalsContact C-N 3.31Å; T81-E83 PolarHBondContact O-N 2.69Å; E83-R87 VanDerWaalsContact O-CA 3.3Å; E83-R87 WeakPolarHBondContact O-CA 3.38Å; E83-R87 WeakPolarHBondContact O-CG 3.29Å; E83-R87 PolarHBondContact O-N 3.49Å; E83-I91 HydrophobicContact CB-CD1 4.05Å
84K93.4Very high96.3Very high160 Ų16055 Ų5570%0.69626%0.264SS*.Hα-helixtrans-79-44.8178.9-70.5173.4-176.4178.30113.3K80 T81 I82K80-K84 VanDerWaalsContact O-CG 3.3Å; K80-K84 WeakPolarHBondContact O-CG 3.46Å; K80-K84 PolarHBondContact O-N 2.91Å; T81-K84 PolarHBondContact O-N 2.85Å; I82-K84 PolarHBondContact O-N 2.98Å
85T94.5Very high96.3Very high93 Ų9350.2 Ų50.257%0.57124%0.242SC*.Hα-helixtrans-82.1-52-171.956.20000111.7T81 I82T81-T85 HydrophobicContact CG2-CG2 4.08Å; T81-T85 WeakPolarHBondContact O-CG2 3.38Å; T81-T85 PolarHBondContact O-N 2.91Å; T81-T85 PolarHBondContact O-OG1 3.5Å; I82-T85 PolarHBondContact O-N 3.09Å
86D92.7Very high96.2Very high84 Ų8451.1 Ų51.145%0.44925%0.247SC..THydrogen-bonded Turntrans-93.2-23.7-174.8-63.9-40.2000111.6K37 I82K37-D86 WeakPolarHBondContact CE-O 3.11Å; K37-D86 PolarHBondContact NZ-O 2.81Å; I82-D86 HydrophobicContact CG2-CB 4.27Å; I82-D86 WeakPolarHBondContact O-CA 3.19Å; I82-D86 WeakPolarHBondContact O-CB 3.39Å; I82-D86 PolarHBondContact O-N 3.04Å
87R93Very high96Very high180 Ų18050.9 Ų50.968%0.67925%0.245SC*.  trans46.755.4-178.3-58.3-178.5-177.8-175.2-1.5112I82 E83I82-R87 PolarHBondContact O-N 2.87Å; I82-R87 VanDerWaalsContact O-N 3.1Å; E83-R87 VanDerWaalsContact O-CA 3.3Å; E83-R87 WeakPolarHBondContact O-CA 3.38Å; E83-R87 WeakPolarHBondContact O-CG 3.29Å; E83-R87 PolarHBondContact O-N 3.49Å
88P95.4Very high96Very high6 Ų646.9 Ų46.94%0.03922%0.223CC..  trans-61.1156.7171.731.2-35.4000110S7 K37 A39 I82 I91S7-P88 PolarHBondContact OG-O 2.86Å; K37-P88 HydrophobicContact CG-CB 4.39Å; K37-P88 CarbonylContact O-C 3.58Å; K37-P88 WeakPolarHBondContact O-CA 3.15Å; K37-P88 WeakPolarHBondContact O-CB 3.23Å; A39-P88 HydrophobicContact CB-CB 4.22Å; A39-P88 HydrophobicContact CB-CG 4.13Å; I82-P88 HydrophobicContact CG2-CG 3.93Å; I82-P88 WeakPolarHBondContact O-CD 3.42Å; P88-I91 HydrophobicContact CB-CG1 4.4Å; P88-I91 HydrophobicContact CG-CD1 3.94Å; P88-I91 HydrophobicContact CG-CG1 3.47Å; P88-I91 VanDerWaalsContact CG-CG1 3.47Å
89Q93.6Very high96Very high92 Ų9243.2 Ų43.243%0.4321%0.206SC..SBendtrans-80.2-29.9168.1-66.6172-92.600110.7L8 I36 K37L8-Q89 PolarHBondContact N-O 3.11Å; I36-Q89 HydrophobicContact CG2-CB 3.99Å; K37-Q89 VanDerWaalsContact N-OE1 3.08Å; K37-Q89 PolarHBondContact O-N 3.37Å
90V96.3Very high95.9Very high0 Ų045 Ų450%022%0.215CC..EExtended strand (participates in β ladder)trans-132.7131.3180-178.20000110.3L8 V10 L31 I36 K37 T38 A39 L92 V181 I185L8-V90 HydrophobicContact CB-CG2 4.4Å; L8-V90 HydrophobicContact CD2-CG2 4.47Å; L8-V90 CarbonylContact O-C 3.59Å; L8-V90 VanDerWaalsContact O-CA 3.31Å; L8-V90 WeakPolarHBondContact O-CA 3.47Å; V10-V90 HydrophobicContact CG2-CG1 4.15Å; L31-V90 HydrophobicContact CD1-CB 4.44Å; L31-V90 HydrophobicContact CD1-CG1 4.13Å; L31-V90 HydrophobicContact CD1-CG2 4.46Å; I36-V90 HydrophobicContact CG2-CG2 3.81Å; K37-V90 PolarHBondContact O-N 3.44Å; T38-V90 CarbonylContact C-O 3.49Å; T38-V90 VanDerWaalsContact CA-O 3.25Å; T38-V90 WeakPolarHBondContact CA-O 3.39Å; T38-V90 HydrophobicContact CG2-CB 4.12Å; T38-V90 HydrophobicContact CG2-CG1 4.22Å; A39-V90 PolarHBondContact N-O 3.43Å; V90-L92 HydrophobicContact CG1-CD2 3.67Å; V90-L92 HydrophobicContact CG1-CG 4.26Å; V90-V181 HydrophobicContact CG1-CG1 4.33Å; V90-I185 HydrophobicContact CG2-CD1 4.1Å; V90-I185 HydrophobicContact CG2-CG2 3.8Å
91I97.9Very high96Very high0 Ų043.5 Ų43.50%021%0.207CC..EExtended strand (participates in β ladder)trans-112.1115.8168.3-59.4174.5000108L8 V9 V10 A39 L41 M79 E83 P88 V93L8-I91 PolarHBondContact O-N 2.89Å; V9-I91 WeakPolarHBondContact CA-O 3.5Å; V10-I91 PolarHBondContact N-O 2.9Å; A39-I91 HydrophobicContact CB-CG1 4.49Å; L41-I91 HydrophobicContact CD1-CG2 4.37Å; M79-I91 HydrophobicContact CG-CD1 3.96Å; M79-I91 HydrophobicContact CG-CG2 4.03Å; M79-I91 HydrophobicContact SD-CG2 4.2Å; E83-I91 HydrophobicContact CB-CD1 4.05Å; P88-I91 HydrophobicContact CB-CG1 4.4Å; P88-I91 HydrophobicContact CG-CD1 3.94Å; P88-I91 HydrophobicContact CG-CG1 3.47Å; P88-I91 VanDerWaalsContact CG-CG1 3.47Å; I91-V93 HydrophobicContact CG2-CG2 4.16Å
92L98.6Very high95.9Very high0 Ų045.9 Ų45.90%021%0.212CC..EExtended strand (participates in β ladder)trans-89.7130171.4-54.3179.4000108.7V10 L12 L27 L28 T38 A39 L40 L41 V90V10-L92 HydrophobicContact CB-CD2 3.86Å; V10-L92 HydrophobicContact CG1-CD2 4.3Å; V10-L92 HydrophobicContact CG2-CD2 4.3Å; V10-L92 WeakPolarHBondContact O-CA 3.32Å; L12-L92 HydrophobicContact CD1-CD2 4.44Å; L27-L92 HydrophobicContact CB-CD1 4.02Å; L27-L92 HydrophobicContact CD2-CD1 3.84Å; L27-L92 HydrophobicContact CD2-CD2 3.61Å; L27-L92 HydrophobicContact CD2-CG 4.39Å; L27-L92 HydrophobicContact CG-CD1 3.89Å; L27-L92 HydrophobicContact CG-CD2 4.35Å; L28-L92 HydrophobicContact CB-CD1 4.28Å; T38-L92 HydrophobicContact CG2-CD1 3.88Å; T38-L92 HydrophobicContact CG2-CG 3.83Å; A39-L92 PolarHBondContact O-N 3.38Å; L40-L92 CarbonylContact C-O 3.59Å; L40-L92 WeakPolarHBondContact CA-O 3.45Å; L40-L92 HydrophobicContact CD1-CB 3.69Å; L41-L92 PolarHBondContact N-O 3.24Å; V90-L92 HydrophobicContact CG1-CD2 3.67Å; V90-L92 HydrophobicContact CG1-CG 4.26Å
93V98.6Very high96Very high0 Ų047.6 Ų47.60%023%0.225CC..EExtended strand (participates in β ladder)trans-120.8124.4170.8-171.20000108.2V9 V10 G11 L12 L41 L75 M79 I91 I98 L104 F108V9-V93 HydrophobicContact CG1-CG2 4.36Å; V10-V93 PolarHBondContact O-N 2.94Å; G11-V93 CarbonylContact C-O 3.53Å; G11-V93 WeakPolarHBondContact CA-O 3.39Å; L12-V93 PolarHBondContact N-O 2.76Å; L41-V93 HydrophobicContact CB-CG1 4.45Å; L41-V93 HydrophobicContact CB-CG2 4.42Å; L41-V93 WeakPolarHBondContact O-CA 3.5Å; L75-V93 HydrophobicContact CD1-CG1 4.3Å; L75-V93 HydrophobicContact CD2-CG1 3.97Å; M79-V93 HydrophobicContact SD-CG2 3.95Å; I91-V93 HydrophobicContact CG2-CG2 4.16Å; V93-I98 HydrophobicContact CG1-CG2 4.1Å; V93-I98 VanDerWaalsContact O-CD1 3.29Å; V93-I98 WeakPolarHBondContact O-CD1 3.34Å; V93-L104 HydrophobicContact CG1-CD2 4.33Å; V93-F108 HydrophobicContact CB-CE1 3.67Å; V93-F108 HydrophobicContact CB-CZ 3.87Å; V93-F108 HydrophobicContact CG1-CE1 4.42Å; V93-F108 HydrophobicContact CG1-CZ 4.14Å; V93-F108 HydrophobicContact CG2-CE1 3.79Å; V93-F108 HydrophobicContact CG2-CZ 4.28Å
94E98.3Very high96.2Very high0 Ų044.6 Ų44.60%021%0.211CC..EExtended strand (participates in β ladder)trans-127.5134.8-175.1-172.2-85.8138.500111.4L12 K20 S21 A24 L40 L41 Q43L12-E94 HydrophobicContact CB-CB 4.26Å; L12-E94 HydrophobicContact CB-CG 4Å; L12-E94 WeakPolarHBondContact O-CA 3.48Å; K20-E94 HydrophobicContact CB-CG 4.11Å; K20-E94 WeakPolarHBondContact CB-OE1 3.48Å; K20-E94 WeakPolarHBondContact CD-OE1 3.25Å; K20-E94 VanDerWaalsContact CE-OE1 3.32Å; K20-E94 WeakPolarHBondContact CE-OE1 3.31Å; K20-E94 WeakPolarHBondContact CG-OE1 3.48Å; K20-E94 IonicContact NZ-OE1 3.61Å; K20-E94 PolarHBondContact NZ-OE1 2.95Å; S21-E94 VanDerWaalsContact CA-OE2 3.3Å; S21-E94 WeakPolarHBondContact CA-OE2 3.29Å; S21-E94 VanDerWaalsContact CB-OE2 3.23Å; S21-E94 WeakPolarHBondContact CB-OE2 3.29Å; S21-E94 PolarHBondContact N-OE1 2.95Å; S21-E94 PolarHBondContact OG-OE1 2.77Å; S21-E94 PolarHBondContact OG-OE2 2.88Å; A24-E94 HydrophobicContact CB-CB 3.83Å; A24-E94 HydrophobicContact CB-CG 3.77Å; L40-E94 HydrophobicContact CD1-CB 4.43Å; L41-E94 PolarHBondContact O-N 3.49Å; Q43-E94 WeakPolarHBondContact CB-O 3.41Å; Q43-E94 PolarHBondContact N-O 3.33Å
95G97.6Very high96.4Very high0 Ų037.6 Ų37.60%018%0.181CC..  trans166.6155.1-179.600000112.5L12 G13 Q43 M97L12-G95 PolarHBondContact O-N 2.77Å; L12-G95 VanDerWaalsContact O-N 3.15Å; G13-G95 WeakPolarHBondContact CA-O 3.3Å; Q43-G95 VanDerWaalsContact OE1-C 3.27Å; G95-M97 VanDerWaalsContact C-N 3.32Å; G95-M97 PolarHBondContact O-N 3.25Å
96N96.3Very high96.5Very high18 Ų1839.2 Ų39.210%0.09618%0.183CC..THydrogen-bonded Turntrans-68.2-27.4-175.857.3-29.1000114.1G14 Q43 D65G14-N96 WeakPolarHBondContact O-CA 3.17Å; G14-N96 VanDerWaalsContact O-CB 3.26Å; G14-N96 WeakPolarHBondContact O-CB 3.27Å; Q43-N96 PolarHBondContact NE2-OD1 3.18Å; Q43-N96 PolarHBondContact OE1-OD1 3.44Å; D65-N96 PolarHBondContact OD1-ND2 2.85Å; D65-N96 VanDerWaalsContact OD1-ND2 3.13Å
97M96.1Very high96.6Very high4 Ų438 Ų382%0.0218%0.176CC..THydrogen-bonded Turntrans-113.66.1-170.7-67178.7-79.200114Y47 F64 V70 F72 G95 F99 E100Y47-M97 HydrophobicContact CE1-CE 4.29Å; F64-M97 WeakPolarHBondContact O-CE 3.5Å; V70-M97 HydrophobicContact CG2-CE 3.66Å; F72-M97 HydrophobicContact CE2-CB 4.35Å; F72-M97 HydrophobicContact CZ-CB 3.8Å; G95-M97 VanDerWaalsContact C-N 3.32Å; G95-M97 PolarHBondContact O-N 3.25Å; M97-F99 PolarHBondContact O-N 2.84Å; M97-E100 WeakPolarHBondContact O-CB 3.26Å; M97-E100 PolarHBondContact O-N 3.07Å
98I97.7Very high96.9Very high0 Ų029.8 Ų29.80%015%0.145CC..THydrogen-bonded Turntrans-60.7-22.6-171.263.6175.4000114.6Q43 F72 V93 L104 F108Q43-I98 HydrophobicContact CB-CG2 4.21Å; Q43-I98 HydrophobicContact CG-CG2 4.47Å; F72-I98 HydrophobicContact CE1-CG2 4.3Å; V93-I98 HydrophobicContact CG1-CG2 4.1Å; V93-I98 VanDerWaalsContact O-CD1 3.29Å; V93-I98 WeakPolarHBondContact O-CD1 3.34Å; I98-L104 HydrophobicContact CB-CD2 4.07Å; I98-L104 HydrophobicContact CG2-CD2 4.42Å; I98-F108 HydrophobicContact CB-CE2 4.45Å; I98-F108 HydrophobicContact CB-CZ 4.32Å; I98-F108 HydrophobicContact CD1-CE2 4.42Å; I98-F108 HydrophobicContact CD1-CZ 4.02Å; I98-F108 HydrophobicContact CG1-CE2 4.41Å; I98-F108 HydrophobicContact CG1-CZ 4.37Å
99F97.7Very high96.9Very high10 Ų1033.9 Ų33.94%0.04417%0.167CC..THydrogen-bonded Turntrans-91.1-4178.7-55.6-49.7000113.7M97 F108 R111 F112 F113 R157 F161M97-F99 PolarHBondContact O-N 2.84Å; F99-F108 AromaticContact CD1-CD2 3.75Å; F99-F108 HydrophobicContact CD1-CD2 3.75Å; F99-F108 AromaticContact CD1-CE2 3.71Å; F99-F108 HydrophobicContact CD1-CE2 3.71Å; F99-F108 AromaticContact CE1-CD2 3.71Å; F99-F108 HydrophobicContact CE1-CD2 3.71Å; F99-F108 AromaticContact CE1-CE2 3.75Å; F99-F108 HydrophobicContact CE1-CE2 3.75Å; F99-F108 HydrophobicContact CE1-CG 4.37Å; F99-F108 HydrophobicContact CE1-CZ 4.45Å; F99-R111 HydrophobicContact CD1-CG 4.2Å; F99-R111 HydrophobicContact CE1-CB 3.76Å; F99-R111 HydrophobicContact CE1-CG 3.66Å; F99-R111 HydrophobicContact CZ-CB 3.8Å; F99-R111 HydrophobicContact CZ-CG 4.24Å; F99-F112 WeakPolarHBondContact CE2-O 3.47Å; F99-F112 WeakPolarHBondContact CZ-O 3.38Å; F99-F113 AromaticContact CD2-CD2 3.97Å; F99-F113 HydrophobicContact CD2-CD2 3.97Å; F99-F113 HydrophobicContact CD2-CE2 4.42Å; F99-F113 HydrophobicContact CE2-CD2 4.13Å; F99-R157 PolarHBondContact O-NH2 3.32Å; F99-R157 VanDerWaalsContact O-NH2 3.17Å; F99-F161 HydrophobicContact CB-CE1 4.45Å; F99-F161 HydrophobicContact CB-CZ 4.36Å; F99-F161 HydrophobicContact CD1-CE1 4.07Å; F99-F161 HydrophobicContact CD2-CD1 4.48Å; F99-F161 AromaticContact CD2-CE1 3.53Å; F99-F161 HydrophobicContact CD2-CE1 3.53Å; F99-F161 HydrophobicContact CD2-CZ 4.19Å; F99-F161 HydrophobicContact CE1-CE1 4.17Å; F99-F161 HydrophobicContact CE2-CD1 4.18Å; F99-F161 AromaticContact CE2-CE1 3.6Å; F99-F161 HydrophobicContact CE2-CE1 3.6Å; F99-F161 AromaticContact CG-CE1 3.77Å; F99-F161 HydrophobicContact CG-CE1 3.77Å; F99-F161 HydrophobicContact CG-CZ 4.16Å; F99-F161 HydrophobicContact CZ-CD1 4.44Å; F99-F161 AromaticContact CZ-CE1 3.93Å; F99-F161 HydrophobicContact CZ-CE1 3.93Å
100E95.4Very high97.1Very high40 Ų4031.1 Ų31.119%0.18715%0.154CC..THydrogen-bonded Turntrans-90.4-24.4-179.4-59.1-163.2-141.100112.4I67 M97 Q102 S150 K153I67-E100 HydrophobicContact CD1-CB 3.93Å; M97-E100 WeakPolarHBondContact O-CB 3.26Å; M97-E100 PolarHBondContact O-N 3.07Å; E100-Q102 PolarHBondContact O-N 2.79Å; E100-S150 WeakPolarHBondContact OE1-CB 3.44Å; E100-S150 PolarHBondContact OE1-OG 3.32Å; E100-K153 IonicContact OE2-NZ 2.74Å; E100-K153 PolarHBondContact OE2-NZ 3.34Å
101Y96.4Very high97.2Very high64 Ų6432.9 Ų32.925%0.25116%0.16SC..SBendtrans-87.298.6175.3-172.7-107.7000110.5I67 F72 V76 P103 L104 D105I67-Y101 HydrophobicContact CD1-CD2 4.39Å; F72-Y101 HydrophobicContact CB-CD1 3.37Å; F72-Y101 HydrophobicContact CB-CD2 3.82Å; F72-Y101 HydrophobicContact CB-CE1 3.68Å; F72-Y101 HydrophobicContact CB-CE2 4.13Å; F72-Y101 HydrophobicContact CB-CG 3.43Å; F72-Y101 VanDerWaalsContact CB-CG 3.43Å; F72-Y101 HydrophobicContact CD1-CG 4.41Å; F72-Y101 HydrophobicContact CD2-CD2 4.32Å; F72-Y101 HydrophobicContact CD2-CG 4.1Å; F72-Y101 HydrophobicContact CG-CD1 4.04Å; F72-Y101 HydrophobicContact CG-CD2 4.28Å; F72-Y101 AromaticContact CG-CG 3.74Å; F72-Y101 HydrophobicContact CG-CG 3.74Å; V76-Y101 HydrophobicContact CG2-CD1 4.49Å; V76-Y101 HydrophobicContact CG2-CE1 4.16Å; Y101-P103 HydrophobicContact CD1-CB 4.22Å; Y101-P103 HydrophobicContact CD1-CG 4.26Å; Y101-P103 HydrophobicContact CE1-CB 3.65Å; Y101-P103 HydrophobicContact CE1-CG 3.7Å; Y101-P103 HydrophobicContact CE2-CG 4.32Å; Y101-L104 HydrophobicContact CD1-CB 3.74Å; Y101-L104 PolarHBondContact O-N 3.08Å; Y101-D105 PolarHBondContact O-N 2.94Å
102Q95.8Very high97.2Very high126 Ų12632.9 Ų32.959%0.58916%0.16SC*.Hα-helixtrans-47.7-46.9-173.7-178.9-167-3.600114.3E100 L104 D105 E106E100-Q102 PolarHBondContact O-N 2.79Å; Q102-L104 PolarHBondContact O-N 2.93Å; Q102-D105 PolarHBondContact O-N 3.1Å; Q102-D105 VanDerWaalsContact O-N 3.11Å; Q102-E106 HydrophobicContact CG-CG 4.19Å; Q102-E106 WeakPolarHBondContact CG-OE1 3.33Å; Q102-E106 PolarHBondContact NE2-OE1 3.41Å; Q102-E106 WeakPolarHBondContact O-CG 3.41Å; Q102-E106 PolarHBondContact O-N 3.46Å
103P96.8Very high97.2Very high59 Ų5933 Ų3338%0.38316%0.161SC..Hα-helixtrans-64.9-22.1-179.2-22.433.7000114.9Y101 L107Y101-P103 HydrophobicContact CD1-CB 4.22Å; Y101-P103 HydrophobicContact CD1-CG 4.26Å; Y101-P103 HydrophobicContact CE1-CB 3.65Å; Y101-P103 HydrophobicContact CE1-CG 3.7Å; Y101-P103 HydrophobicContact CE2-CG 4.32Å; P103-L107 VanDerWaalsContact O-CD1 3.28Å; P103-L107 WeakPolarHBondContact O-CD1 3.29Å; P103-L107 WeakPolarHBondContact O-CG 3.39Å
104L97.9Very high97.2Very high0 Ų033 Ų330%016%0.161CC..Hα-helixtrans-85.5-43.3170.4175.360.9000110.3F72 L75 V76 M79 V93 I98 Y101 Q102 E106 L107 F108F72-L104 HydrophobicContact CD1-CD2 3.85Å; F72-L104 HydrophobicContact CE1-CD2 4.16Å; L75-L104 HydrophobicContact CD1-CD2 4.31Å; L75-L104 HydrophobicContact CD2-CD1 3.82Å; L75-L104 HydrophobicContact CD2-CD2 3.81Å; L75-L104 HydrophobicContact CD2-CG 4.48Å; V76-L104 HydrophobicContact CG2-CB 3.76Å; V76-L104 HydrophobicContact CG2-CD1 4.02Å; V76-L104 HydrophobicContact CG2-CG 4.43Å; M79-L104 HydrophobicContact CE-CD1 4.12Å; M79-L104 HydrophobicContact SD-CD1 4.29Å; V93-L104 HydrophobicContact CG1-CD2 4.33Å; I98-L104 HydrophobicContact CB-CD2 4.07Å; I98-L104 HydrophobicContact CG2-CD2 4.42Å; Y101-L104 HydrophobicContact CD1-CB 3.74Å; Y101-L104 PolarHBondContact O-N 3.08Å; Q102-L104 PolarHBondContact O-N 2.93Å; L104-E106 VanDerWaalsContact C-N 3.29Å; L104-E106 PolarHBondContact O-N 2.86Å; L104-L107 WeakPolarHBondContact O-CB 3.24Å; L104-L107 PolarHBondContact O-N 3.36Å; L104-F108 HydrophobicContact CD1-CE2 4.44Å; L104-F108 HydrophobicContact CD1-CZ 3.98Å; L104-F108 HydrophobicContact CD2-CZ 4.25Å; L104-F108 HydrophobicContact CG-CE2 3.91Å; L104-F108 HydrophobicContact CG-CZ 3.82Å
105D97.5Very high97.2Very high13 Ų1334.4 Ų34.47%0.0717%0.17CC..Hα-helixtrans-59.4-39-177.9-177.442.1000112.4Y101 Q102 L107 F108 R111 R157Y101-D105 PolarHBondContact O-N 2.94Å; Q102-D105 PolarHBondContact O-N 3.1Å; Q102-D105 VanDerWaalsContact O-N 3.11Å; D105-L107 PolarHBondContact O-N 3.34Å; D105-L107 VanDerWaalsContact O-N 3.17Å; D105-F108 PolarHBondContact O-N 3Å; D105-R111 PolarHBondContact O-NH2 2.96Å; D105-R111 IonicContact OD1-CZ 3.25Å; D105-R111 IonicContact OD1-NE 3.86Å; D105-R111 PolarHBondContact OD1-NE 2.99Å; D105-R111 IonicContact OD1-NH2 3.9Å; D105-R157 IonicContact OD1-NH1 3.76Å; D105-R157 IonicContact OD1-NH2 3.11Å; D105-R157 IonicContact OD2-CZ 2.8Å; D105-R157 IonicContact OD2-NH1 2.91Å; D105-R157 PolarHBondContact OD2-NH1 3.45Å; D105-R157 IonicContact OD2-NH2 3.69Å; D105-R157 PolarHBondContact OD2-NH2 2.82Å
106E96.3Very high97.2Very high128 Ų12834.9 Ų34.960%0.59817%0.172SC*.THydrogen-bonded Turntrans-63.2-17.9175.4-72.9175.1175.200114.2Q102 L104Q102-E106 HydrophobicContact CG-CG 4.19Å; Q102-E106 WeakPolarHBondContact CG-OE1 3.33Å; Q102-E106 PolarHBondContact NE2-OE1 3.41Å; Q102-E106 WeakPolarHBondContact O-CG 3.41Å; Q102-E106 PolarHBondContact O-N 3.46Å; L104-E106 VanDerWaalsContact C-N 3.29Å; L104-E106 PolarHBondContact O-N 2.86Å
107L96.5Very high97.2Very high58 Ų5835.9 Ų35.930%0.30418%0.181SC..THydrogen-bonded Turntrans-88-10.9-178.5-58.1172.9000112.8V9 V76 M79 P103 L104 D105V9-L107 VanDerWaalsContact CB-O 3.29Å; V9-L107 WeakPolarHBondContact CB-O 3.35Å; V76-L107 HydrophobicContact CG1-CD1 4.04Å; V76-L107 HydrophobicContact CG2-CD1 4.46Å; M79-L107 HydrophobicContact CE-CB 3.71Å; M79-L107 HydrophobicContact CE-CD1 3.19Å; M79-L107 HydrophobicContact CE-CG 4.03Å; P103-L107 VanDerWaalsContact O-CD1 3.28Å; P103-L107 WeakPolarHBondContact O-CD1 3.29Å; P103-L107 WeakPolarHBondContact O-CG 3.39Å; L104-L107 WeakPolarHBondContact O-CB 3.24Å; L104-L107 PolarHBondContact O-N 3.36Å; D105-L107 PolarHBondContact O-N 3.34Å; D105-L107 VanDerWaalsContact O-N 3.17Å
108F97.7Very high97.3Very high8 Ų838.6 Ų38.64%0.03519%0.191CC..  trans-78.9125.2-179.6-67-56.4000112.8V9 G11 V93 I98 F99 L104 D105 R111V9-F108 HydrophobicContact CB-CD1 4.49Å; V9-F108 HydrophobicContact CG1-CD1 3.7Å; V9-F108 HydrophobicContact CG1-CE1 3.93Å; G11-F108 VanDerWaalsContact CA-CE1 3.4Å; G11-F108 VanDerWaalsContact N-CD1 3.29Å; V93-F108 HydrophobicContact CB-CE1 3.67Å; V93-F108 HydrophobicContact CB-CZ 3.87Å; V93-F108 HydrophobicContact CG1-CE1 4.42Å; V93-F108 HydrophobicContact CG1-CZ 4.14Å; V93-F108 HydrophobicContact CG2-CE1 3.79Å; V93-F108 HydrophobicContact CG2-CZ 4.28Å; I98-F108 HydrophobicContact CB-CE2 4.45Å; I98-F108 HydrophobicContact CB-CZ 4.32Å; I98-F108 HydrophobicContact CD1-CE2 4.42Å; I98-F108 HydrophobicContact CD1-CZ 4.02Å; I98-F108 HydrophobicContact CG1-CE2 4.41Å; I98-F108 HydrophobicContact CG1-CZ 4.37Å; F99-F108 AromaticContact CD1-CD2 3.75Å; F99-F108 HydrophobicContact CD1-CD2 3.75Å; F99-F108 AromaticContact CD1-CE2 3.71Å; F99-F108 HydrophobicContact CD1-CE2 3.71Å; F99-F108 AromaticContact CE1-CD2 3.71Å; F99-F108 HydrophobicContact CE1-CD2 3.71Å; F99-F108 AromaticContact CE1-CE2 3.75Å; F99-F108 HydrophobicContact CE1-CE2 3.75Å; F99-F108 HydrophobicContact CE1-CG 4.37Å; F99-F108 HydrophobicContact CE1-CZ 4.45Å; L104-F108 HydrophobicContact CD1-CE2 4.44Å; L104-F108 HydrophobicContact CD1-CZ 3.98Å; L104-F108 HydrophobicContact CD2-CZ 4.25Å; L104-F108 HydrophobicContact CG-CE2 3.91Å; L104-F108 HydrophobicContact CG-CZ 3.82Å; D105-F108 PolarHBondContact O-N 3Å; F108-R111 HydrophobicContact CB-CG 3.8Å; F108-R111 HydrophobicContact CD2-CG 4.42Å; F108-R111 HydrophobicContact CG-CG 4.33Å; F108-R111 PolarHBondContact O-NH1 3.09Å; F108-R111 PolarHBondContact O-NH2 3.21Å
109D96.7Very high97.2Very high92 Ų9244.7 Ų44.749%0.49222%0.22SC..SBendtrans-80.2-35168.2-58.3-63.5000111.4L8 V9L8-D109 WeakPolarHBondContact CA-OD2 3.18Å; L8-D109 HydrophobicContact CD1-CB 3.49Å; L8-D109 VanDerWaalsContact CD1-CB 3.49Å; V9-D109 PolarHBondContact N-OD2 3.5Å; V9-D109 PolarHBondContact O-N 3.21Å
110Q97.4Very high97.1Very high34 Ų3449.2 Ų49.216%0.15924%0.236CC..EExtended strand (participates in β ladder)trans-134.2136.3177.218063-17.900111.4V9 V10 G11 F112 E162 S180 L184V9-Q110 PolarHBondContact O-N 2.77Å; V10-Q110 WeakPolarHBondContact CA-O 3.26Å; V10-Q110 HydrophobicContact CG1-CB 4.4Å; V10-Q110 HydrophobicContact CG1-CG 4.44Å; V10-Q110 HydrophobicContact CG2-CB 4.41Å; G11-Q110 PolarHBondContact N-O 2.8Å; Q110-F112 HydrophobicContact CG-CD2 4.17Å; Q110-F112 HydrophobicContact CG-CE2 3.54Å; Q110-F112 HydrophobicContact CG-CZ 3.91Å; Q110-E162 PolarHBondContact NE2-OE2 3.34Å; Q110-S180 PolarHBondContact NE2-OG 3.46Å; Q110-L184 HydrophobicContact CB-CD1 3.76Å; Q110-L184 HydrophobicContact CG-CD1 4.08Å
111R98.2Very high97.2Very high37 Ų3747.3 Ų47.314%0.1423%0.228CC..EExtended strand (participates in β ladder)trans-124.2121.4-179.8-57.2174.2-175.963.56110.5F99 D105 F108 F161 E162F99-R111 HydrophobicContact CD1-CG 4.2Å; F99-R111 HydrophobicContact CE1-CB 3.76Å; F99-R111 HydrophobicContact CE1-CG 3.66Å; F99-R111 HydrophobicContact CZ-CB 3.8Å; F99-R111 HydrophobicContact CZ-CG 4.24Å; D105-R111 PolarHBondContact O-NH2 2.96Å; D105-R111 IonicContact OD1-CZ 3.25Å; D105-R111 IonicContact OD1-NE 3.86Å; D105-R111 PolarHBondContact OD1-NE 2.99Å; D105-R111 IonicContact OD1-NH2 3.9Å; F108-R111 HydrophobicContact CB-CG 3.8Å; F108-R111 HydrophobicContact CD2-CG 4.42Å; F108-R111 HydrophobicContact CG-CG 4.33Å; F108-R111 PolarHBondContact O-NH1 3.09Å; F108-R111 PolarHBondContact O-NH2 3.21Å; R111-F161 HydrophobicContact CB-CD1 3.4Å; R111-F161 VanDerWaalsContact CB-CD1 3.4Å; R111-F161 HydrophobicContact CB-CE1 3.55Å; R111-F161 HydrophobicContact CB-CG 4.34Å; R111-F161 HydrophobicContact CG-CD1 4.41Å; R111-F161 HydrophobicContact CG-CE1 4.13Å; R111-F161 WeakPolarHBondContact O-CA 3.3Å; R111-E162 PolarHBondContact O-N 2.81Å
112F98.5Very high97.2Very high0 Ų045.1 Ų45.10%022%0.222CC..EExtended strand (participates in β ladder)trans-102.3125.3167.9-62.8-87.8000109.4V10 G11 L12 G13 F99 Q110 F114 E162 I164 V177 V181V10-F112 HydrophobicContact CG1-CD2 3.75Å; V10-F112 HydrophobicContact CG1-CE2 3.53Å; G11-F112 PolarHBondContact O-N 3.5Å; L12-F112 HydrophobicContact CG-CD2 4.4Å; G13-F112 PolarHBondContact N-O 3.1Å; F99-F112 WeakPolarHBondContact CE2-O 3.47Å; F99-F112 WeakPolarHBondContact CZ-O 3.38Å; Q110-F112 HydrophobicContact CG-CD2 4.17Å; Q110-F112 HydrophobicContact CG-CE2 3.54Å; Q110-F112 HydrophobicContact CG-CZ 3.91Å; F112-F114 HydrophobicContact CB-CD2 4.25Å; F112-F114 HydrophobicContact CB-CE2 3.81Å; F112-E162 VanDerWaalsContact CA-O 3.31Å; F112-E162 WeakPolarHBondContact CA-O 3.35Å; F112-E162 HydrophobicContact CD1-CB 3.76Å; F112-E162 HydrophobicContact CD1-CG 4.01Å; F112-E162 HydrophobicContact CE1-CB 3.96Å; F112-E162 HydrophobicContact CE1-CG 3.97Å; F112-E162 WeakPolarHBondContact CE1-OE2 3.4Å; F112-I164 HydrophobicContact CB-CG1 4.28Å; F112-I164 HydrophobicContact CD1-CD1 4.04Å; F112-I164 HydrophobicContact CD1-CG1 3.93Å; F112-V177 HydrophobicContact CD1-CG1 4.39Å; F112-V177 HydrophobicContact CD1-CG2 3.91Å; F112-V177 HydrophobicContact CD2-CG1 4.22Å; F112-V177 HydrophobicContact CE1-CB 4.14Å; F112-V177 HydrophobicContact CE1-CG1 4.06Å; F112-V177 HydrophobicContact CE1-CG2 3.93Å; F112-V177 HydrophobicContact CE2-CG1 3.9Å; F112-V177 HydrophobicContact CG-CG1 4.45Å; F112-V177 HydrophobicContact CG-CG2 4.44Å; F112-V177 HydrophobicContact CZ-CB 4.31Å; F112-V177 HydrophobicContact CZ-CG1 3.81Å; F112-V181 HydrophobicContact CE2-CG2 3.72Å; F112-V181 HydrophobicContact CZ-CG2 3.94Å
113F98.6Very high97.1Very high1 Ų142 Ų420%0.00421%0.211CC..EExtended strand (participates in β ladder)trans-107111.3173.7-161.2-78.7000110F99 T115 Y147 Y151 A154 F161 E162 W163 I164F99-F113 AromaticContact CD2-CD2 3.97Å; F99-F113 HydrophobicContact CD2-CD2 3.97Å; F99-F113 HydrophobicContact CD2-CE2 4.42Å; F99-F113 HydrophobicContact CE2-CD2 4.13Å; F113-T115 HydrophobicContact CD1-CG2 4.07Å; F113-T115 HydrophobicContact CE1-CG2 4.32Å; F113-Y147 AromaticContact CE1-CE2 3.86Å; F113-Y147 HydrophobicContact CE1-CE2 3.86Å; F113-Y147 HydrophobicContact CZ-CE2 4.12Å; F113-Y151 HydrophobicContact CD1-CD2 4.48Å; F113-Y151 AromaticContact CE1-CD2 3.81Å; F113-Y151 HydrophobicContact CE1-CD2 3.81Å; F113-Y151 HydrophobicContact CZ-CD2 4.42Å; F113-A154 HydrophobicContact CD2-CB 3.43Å; F113-A154 VanDerWaalsContact CD2-CB 3.43Å; F113-A154 HydrophobicContact CE2-CB 3.41Å; F113-A154 VanDerWaalsContact CE2-CB 3.41Å; F113-A154 HydrophobicContact CG-CB 4.1Å; F113-A154 HydrophobicContact CZ-CB 4.07Å; F113-F161 HydrophobicContact CB-CB 4.21Å; F113-F161 HydrophobicContact CB-CD1 3.8Å; F113-F161 HydrophobicContact CB-CE1 4.5Å; F113-F161 HydrophobicContact CB-CG 4.15Å; F113-F161 HydrophobicContact CD2-CD1 4.32Å; F113-F161 HydrophobicContact CD2-CE1 4.23Å; F113-E162 PolarHBondContact N-O 3.04Å; F113-W163 HydrophobicContact CB-CE3 4.02Å; F113-W163 HydrophobicContact CB-CZ3 4.1Å; F113-W163 AromaticContact CD1-CE3 3.9Å; F113-W163 HydrophobicContact CD1-CE3 3.9Å; F113-W163 HydrophobicContact CD1-CH2 4.35Å; F113-W163 AromaticContact CD1-CZ3 3.47Å; F113-W163 HydrophobicContact CD1-CZ3 3.47Å; F113-W163 VanDerWaalsContact CD1-CZ3 3.47Å; F113-W163 HydrophobicContact CE1-CZ3 4.09Å; F113-W163 HydrophobicContact CG-CE3 4.25Å; F113-W163 HydrophobicContact CG-CH2 4.44Å; F113-W163 AromaticContact CG-CZ3 3.88Å; F113-W163 HydrophobicContact CG-CZ3 3.88Å; F113-I164 PolarHBondContact O-N 3.21Å
114F98.4Very high97Very high0 Ų041.8 Ų41.80%020%0.203CC..EExtended strand (participates in β ladder)trans-85.9119.9179.3-74.9-112.2000110.5L12 G13 G14 A15 S18 K20 I23 F112 I164 I173 V177L12-F114 HydrophobicContact CB-CE2 4.09Å; L12-F114 HydrophobicContact CD2-CE2 3.99Å; L12-F114 HydrophobicContact CD2-CZ 4.1Å; L12-F114 HydrophobicContact CG-CE2 4.21Å; G13-F114 WeakPolarHBondContact O-CB 3.28Å; G13-F114 PolarHBondContact O-N 2.86Å; G14-F114 CarbonylContact C-O 3.55Å; G14-F114 WeakPolarHBondContact CA-O 3.43Å; A15-F114 PolarHBondContact N-O 2.87Å; S18-F114 VanDerWaalsContact OG-CB 3.28Å; S18-F114 WeakPolarHBondContact OG-CB 3.4Å; K20-F114 HydrophobicContact CB-CD1 4.26Å; K20-F114 HydrophobicContact CB-CD2 4.19Å; K20-F114 HydrophobicContact CB-CE1 4.48Å; K20-F114 HydrophobicContact CB-CE2 4.44Å; K20-F114 HydrophobicContact CB-CG 4.11Å; I23-F114 HydrophobicContact CB-CE1 4.33Å; I23-F114 HydrophobicContact CB-CZ 4.14Å; I23-F114 HydrophobicContact CG1-CE1 3.96Å; I23-F114 HydrophobicContact CG1-CZ 4.23Å; I23-F114 HydrophobicContact CG2-CZ 4.1Å; F112-F114 HydrophobicContact CB-CD2 4.25Å; F112-F114 HydrophobicContact CB-CE2 3.81Å; F114-I164 CarbonylContact C-O 3.58Å; F114-I164 WeakPolarHBondContact CA-O 3.27Å; F114-I164 HydrophobicContact CD1-CB 4.01Å; F114-I164 HydrophobicContact CD1-CG2 3.57Å; F114-I164 HydrophobicContact CD2-CB 4.22Å; F114-I164 HydrophobicContact CD2-CG1 4.43Å; F114-I164 HydrophobicContact CE1-CB 4.14Å; F114-I164 HydrophobicContact CE1-CG2 3.48Å; F114-I164 VanDerWaalsContact CE1-CG2 3.48Å; F114-I164 HydrophobicContact CE2-CB 4.32Å; F114-I164 HydrophobicContact CE2-CG1 4.17Å; F114-I164 HydrophobicContact CE2-CG2 4.48Å; F114-I164 HydrophobicContact CG-CB 4.05Å; F114-I164 HydrophobicContact CG-CG2 4.14Å; F114-I164 HydrophobicContact CZ-CB 4.28Å; F114-I164 HydrophobicContact CZ-CG1 4.25Å; F114-I164 HydrophobicContact CZ-CG2 3.96Å; F114-I173 HydrophobicContact CE1-CG2 3.82Å; F114-I173 HydrophobicContact CZ-CG2 4.31Å; F114-V177 HydrophobicContact CZ-CG2 4.21Å
115T98Very high96.8Very high31 Ų3142.4 Ų42.419%0.1921%0.205CC..EExtended strand (participates in β ladder)trans-99.2162.9170.462.90000109.9F113 Y151 W163 I164 G166F113-T115 HydrophobicContact CD1-CG2 4.07Å; F113-T115 HydrophobicContact CE1-CG2 4.32Å; T115-Y151 HydrophobicContact CG2-CD2 4.16Å; T115-Y151 HydrophobicContact CG2-CE2 3.89Å; T115-W163 HydrophobicContact CG2-CE3 3.94Å; T115-W163 HydrophobicContact CG2-CZ3 4.14Å; T115-I164 PolarHBondContact N-O 3.42Å; T115-I164 PolarHBondContact OG1-O 3.16Å; T115-G166 VanDerWaalsContact O-CA 3.23Å; T115-G166 WeakPolarHBondContact O-CA 3.32Å; T115-G166 PolarHBondContact O-N 3.19Å
116V97.2Very high96.5Very high9 Ų949.1 Ų49.16%0.05524%0.236CC..  trans-160.9150.4171.968.30000108.3A15 R120 C121 W144A15-V116 HydrophobicContact CB-CB 4.47Å; A15-V116 HydrophobicContact CB-CG1 3.52Å; V116-R120 HydrophobicContact CG2-CB 3.73Å; V116-R120 HydrophobicContact CG2-CG 3.59Å; V116-C121 HydrophobicContact CG1-CB 3.86Å; V116-W144 WeakPolarHBondContact O-CH2 3.12Å
117S97.2Very high96.3Very high40 Ų4053 Ų5328%0.2825%0.245SC..  trans-62.9151.3170.562.70000112.3E119 R120 C121 D167S117-E119 VanDerWaalsContact C-N 3.3Å; S117-E119 PolarHBondContact O-N 3.25Å; S117-R120 PolarHBondContact O-N 3.35Å; S117-R120 WeakPolarHBondContact OG-CB 3.08Å; S117-R120 PolarHBondContact OG-N 3.43Å; S117-C121 WeakPolarHBondContact O-CB 3.43Å; S117-C121 PolarHBondContact O-N 3.43Å; S117-D167 PolarHBondContact N-OD2 3.26Å; S117-D167 PolarHBondContact OG-OD1 2.97Å; S117-D167 PolarHBondContact OG-OD2 3.11Å
118Y97.5Very high95.9Very high61 Ų6154.5 Ų54.524%0.23925%0.247CC..Hα-helixtrans-58.4-45.9178.5-179.9-95.6000111.1R120 C121 S122 L139 E140 W144Y118-R120 VanDerWaalsContact C-N 3.32Å; Y118-R120 PolarHBondContact O-N 3.18Å; Y118-C121 WeakPolarHBondContact O-CB 3.4Å; Y118-C121 PolarHBondContact O-N 3.06Å; Y118-S122 WeakPolarHBondContact O-CB 3.47Å; Y118-S122 PolarHBondContact O-N 2.95Å; Y118-L139 HydrophobicContact CE2-CD2 4.19Å; Y118-L139 HydrophobicContact CE2-CG 4.1Å; Y118-E140 WeakPolarHBondContact OH-CG 3.34Å; Y118-E140 PolarHBondContact OH-OE1 3.39Å; Y118-W144 HydrophobicContact CD2-CB 4.42Å; Y118-W144 AromaticContact CD2-CD1 3.92Å; Y118-W144 AromaticContact CD2-CD2 3.46Å; Y118-W144 HydrophobicContact CD2-CD2 3.46Å; Y118-W144 VanDerWaalsContact CD2-CD2 3.46Å; Y118-W144 AromaticContact CD2-CE2 3.55Å; Y118-W144 AromaticContact CD2-CE3 3.86Å; Y118-W144 HydrophobicContact CD2-CE3 3.86Å; Y118-W144 AromaticContact CD2-CG 3.7Å; Y118-W144 HydrophobicContact CD2-CG 3.7Å; Y118-W144 HydrophobicContact CD2-CH2 4.33Å; Y118-W144 HydrophobicContact CD2-CZ2 4Å; Y118-W144 HydrophobicContact CD2-CZ3 4.28Å; Y118-W144 AromaticContact CD2-NE1 3.82Å; Y118-W144 HydrophobicContact CE2-CB 4.06Å; Y118-W144 AromaticContact CE2-CD2 4Å; Y118-W144 HydrophobicContact CE2-CD2 4Å; Y118-W144 HydrophobicContact CE2-CE3 4.43Å; Y118-W144 AromaticContact CE2-CG 3.8Å; Y118-W144 HydrophobicContact CE2-CG 3.8Å; Y118-W144 HydrophobicContact CG-CZ2 4.45Å
119E96.6Very high95.5Very high128 Ų12860.8 Ų60.860%0.59829%0.286SS*.Hα-helixtrans-61.6-42.8-177-61.875.1-165.200110.8S117 T123S117-E119 VanDerWaalsContact C-N 3.3Å; S117-E119 PolarHBondContact O-N 3.25Å; E119-T123 WeakPolarHBondContact O-CB 3.41Å; E119-T123 PolarHBondContact O-N 3.07Å; E119-T123 PolarHBondContact O-OG1 3.24Å
120R95.2Very high95Very high104 Ų10458.7 Ų58.739%0.39227%0.272SS..Hα-helixtrans-69.4-42.3177-176.271.1148.7-176.9-6.9111.7V116 S117 Y118 R124 D167V116-R120 HydrophobicContact CG2-CB 3.73Å; V116-R120 HydrophobicContact CG2-CG 3.59Å; S117-R120 PolarHBondContact O-N 3.35Å; S117-R120 WeakPolarHBondContact OG-CB 3.08Å; S117-R120 PolarHBondContact OG-N 3.43Å; Y118-R120 VanDerWaalsContact C-N 3.32Å; Y118-R120 PolarHBondContact O-N 3.18Å; R120-R124 VanDerWaalsContact NE-NH2 3.11Å; R120-R124 WeakPolarHBondContact O-CB 3.4Å; R120-R124 WeakPolarHBondContact O-CG 3.45Å; R120-R124 PolarHBondContact O-N 3.2Å; R120-D167 WeakPolarHBondContact CB-OD1 3.07Å; R120-D167 VanDerWaalsContact CG-OD1 3.24Å; R120-D167 WeakPolarHBondContact CG-OD1 3.36Å
121C96.5Very high94.4Very high0 Ų066.4 Ų66.40%031%0.308CS..Hα-helixtrans-56.9-54.6173.6178.40000110.4V116 S117 Y118 T123 R124 R125 W144V116-C121 HydrophobicContact CG1-CB 3.86Å; S117-C121 WeakPolarHBondContact O-CB 3.43Å; S117-C121 PolarHBondContact O-N 3.43Å; Y118-C121 WeakPolarHBondContact O-CB 3.4Å; Y118-C121 PolarHBondContact O-N 3.06Å; C121-T123 PolarHBondContact O-N 3.17Å; C121-R124 PolarHBondContact O-N 3.24Å; C121-R125 VanDerWaalsContact O-CB 3.23Å; C121-R125 WeakPolarHBondContact O-CB 3.47Å; C121-R125 PolarHBondContact O-N 3.49Å; C121-W144 HydrophobicContact CB-CE3 4.42Å; C121-W144 HydrophobicContact CB-CZ3 3.85Å
122S96Very high93.9Very high18 Ų1866.8 Ų66.813%0.12632%0.315CS..Hα-helixtrans-55.6-50.1178.9-1760000111.8Y118 R124 R125 Q126Y118-S122 WeakPolarHBondContact O-CB 3.47Å; Y118-S122 PolarHBondContact O-N 2.95Å; S122-R124 PolarHBondContact O-N 3.47Å; S122-R125 PolarHBondContact O-N 2.98Å; S122-Q126 VanDerWaalsContact O-CG 3.32Å; S122-Q126 WeakPolarHBondContact O-CG 3.34Å; S122-Q126 PolarHBondContact O-N 3.24Å; S122-Q126 PolarHBondContact OG-NE2 3.08Å
123T95.1Very high93.5Very high60 Ų6071.2 Ų71.237%0.36834%0.344SS..Hα-helixtrans-60.3-41.9178.9-58.70000112.7E119 C121E119-T123 WeakPolarHBondContact O-CB 3.41Å; E119-T123 PolarHBondContact O-N 3.07Å; E119-T123 PolarHBondContact O-OG1 3.24Å; C121-T123 PolarHBondContact O-N 3.17Å
124R94.3Very high93.1Very high56 Ų5673.6 Ų73.621%0.21136%0.357CS..Hα-helixtrans-72.4-35.7179-75.6177.4175.3167.71.7111.4C17 R120 C121 S122 R127 R128 G166C17-R124 HydrophobicContact CB-CB 3.73Å; C17-R124 WeakPolarHBondContact O-CD 3.26Å; C17-R124 PolarHBondContact O-NH1 3.47Å; R120-R124 VanDerWaalsContact NE-NH2 3.11Å; R120-R124 WeakPolarHBondContact O-CB 3.4Å; R120-R124 WeakPolarHBondContact O-CG 3.45Å; R120-R124 PolarHBondContact O-N 3.2Å; C121-R124 PolarHBondContact O-N 3.24Å; S122-R124 PolarHBondContact O-N 3.47Å; R124-R127 PolarHBondContact O-N 3Å; R124-R128 PolarHBondContact O-N 2.91Å; R124-G166 PolarHBondContact NH1-O 3.49Å; R124-G166 PolarHBondContact NH2-O 3.42Å
125R93.7Very high92.9Very high13 Ų1376 Ų765%0.04937%0.371CS..Hα-helixtrans-68.3-41.3179.8-160.4170.1177.9137.75.6111.7D65 C121 S122 R127 R128 Y130 D134 Y138D65-R125 IonicContact OD2-NH2 3.64Å; C121-R125 VanDerWaalsContact O-CB 3.23Å; C121-R125 WeakPolarHBondContact O-CB 3.47Å; C121-R125 PolarHBondContact O-N 3.49Å; S122-R125 PolarHBondContact O-N 2.98Å; R125-R127 PolarHBondContact O-N 3.07Å; R125-R127 VanDerWaalsContact O-N 3.11Å; R125-R128 WeakPolarHBondContact O-CB 3.47Å; R125-R128 PolarHBondContact O-N 3.45Å; R125-Y130 HydrophobicContact CG-CE2 3.64Å; R125-D134 WeakPolarHBondContact CD-OD2 3.05Å; R125-D134 VanDerWaalsContact CG-OD2 3.27Å; R125-D134 WeakPolarHBondContact CG-OD2 3.43Å; R125-D134 IonicContact CZ-OD1 3.72Å; R125-D134 IonicContact CZ-OD2 2.79Å; R125-D134 IonicContact NE-OD1 2.89Å; R125-D134 IonicContact NE-OD2 2.63Å; R125-D134 PolarHBondContact NE-OD2 2.97Å; R125-D134 IonicContact NH2-OD1 3.82Å; R125-D134 PolarHBondContact NH2-OD1 3.25Å; R125-D134 IonicContact NH2-OD2 3.58Å; R125-D134 PolarHBondContact NH2-OD2 3.33Å; R125-Y138 VanDerWaalsContact NH2-CE1 3.28Å
126Q91.2Very high92.7Very high153 Ų15382.7 Ų82.772%0.71540%0.404SS*.THydrogen-bonded Turntrans-58.1-24.1172.7-72.2172.217.200114.1S122S122-Q126 VanDerWaalsContact O-CG 3.32Å; S122-Q126 WeakPolarHBondContact O-CG 3.34Å; S122-Q126 PolarHBondContact O-N 3.24Å; S122-Q126 PolarHBondContact OG-NE2 3.08Å
127R91Very high92.5Very high210 Ų21082.8 Ų82.879%0.79241%0.407SS*.THydrogen-bonded Turntrans-93.2-6.8178.3-64.9178.4-177.7-168.40.1113.2R124 R125R124-R127 PolarHBondContact O-N 3Å; R125-R127 PolarHBondContact O-N 3.07Å; R125-R127 VanDerWaalsContact O-N 3.11Å
128R89.8Confident92.5Very high89 Ų8980.9 Ų80.934%0.33639%0.394SS..SBendtrans-92.1136.6-176.8-170.3163.4179.3-1643109.2D44 R124 R125 Y130D44-R128 IonicContact OD2-NH2 3.76Å; D44-R128 PolarHBondContact OD2-NH2 2.64Å; R124-R128 PolarHBondContact O-N 2.91Å; R125-R128 WeakPolarHBondContact O-CB 3.47Å; R125-R128 PolarHBondContact O-N 3.45Å; R128-Y130 HydrophobicContact CB-CD2 4.18Å; R128-Y130 HydrophobicContact CB-CE2 3.7Å; R128-Y130 VanDerWaalsContact CD-CZ 3.48Å; R128-Y130 WeakPolarHBondContact CD-OH 3.29Å; R128-Y130 HydrophobicContact CG-CD2 4.14Å; R128-Y130 HydrophobicContact CG-CE1 4.41Å; R128-Y130 HydrophobicContact CG-CE2 3.75Å; R128-Y130 PolarHBondContact NH1-OH 3.23Å
129T89Confident92.4Very high141 Ų14178.6 Ų78.687%0.86539%0.385SS*.  trans-88.3111.6170.5-49.80000107.9
130Y84.9Confident92.4Very high47 Ų4777.1 Ų77.118%0.18438%0.378CS..  trans-98.6153.8170.1-69.1-84000110.1R125 R128 P132 P133 D134R125-Y130 HydrophobicContact CG-CE2 3.64Å; R128-Y130 HydrophobicContact CB-CD2 4.18Å; R128-Y130 HydrophobicContact CB-CE2 3.7Å; R128-Y130 VanDerWaalsContact CD-CZ 3.48Å; R128-Y130 WeakPolarHBondContact CD-OH 3.29Å; R128-Y130 HydrophobicContact CG-CD2 4.14Å; R128-Y130 HydrophobicContact CG-CE1 4.41Å; R128-Y130 HydrophobicContact CG-CE2 3.75Å; R128-Y130 PolarHBondContact NH1-OH 3.23Å; Y130-P132 VanDerWaalsContact C-C 3.49Å; Y130-P132 CarbonylContact C-O 3.56Å; Y130-P132 VanDerWaalsContact C-O 3.26Å; Y130-P132 VanDerWaalsContact CB-O 3.25Å; Y130-P132 WeakPolarHBondContact CB-O 3.37Å; Y130-P132 CarbonylContact O-C 3.6Å; Y130-P133 WeakPolarHBondContact O-CA 3.39Å; Y130-D134 WeakPolarHBondContact CD2-OD2 3.24Å; Y130-D134 VanDerWaalsContact CE2-OD2 3.25Å; Y130-D134 WeakPolarHBondContact CE2-OD2 3.12Å
131E85.3Confident92.5Very high196 Ų19677.5 Ų77.592%0.91639%0.385SS*.SBendtrans-128.5109.5171.3-172.3170.2-169.100108.4
132P88.2Confident92.4Very high45 Ų4578.5 Ų78.529%0.29239%0.39SS..SBendcis-65.3158.4-6.330.4-36.1000112.8H61 F64 Y130H61-P132 VanDerWaalsContact CE1-CG 3.49Å; H61-P132 WeakPolarHBondContact CE1-CG 3.27Å; F64-P132 HydrophobicContact CE2-CG 3.73Å; F64-P132 HydrophobicContact CZ-CG 4.1Å; Y130-P132 VanDerWaalsContact C-C 3.49Å; Y130-P132 CarbonylContact C-O 3.56Å; Y130-P132 VanDerWaalsContact C-O 3.26Å; Y130-P132 VanDerWaalsContact CB-O 3.25Å; Y130-P132 WeakPolarHBondContact CB-O 3.37Å; Y130-P132 CarbonylContact O-C 3.6Å
133P90.3Very high92.4Very high94 Ų9477.7 Ų77.761%0.6138%0.384SS*.PPolyproline II helixtrans-59.6144.4175.4-22.933.7000112H61 Y130 V135H61-P133 PolarHBondContact CE1-O 3.27Å; H61-P133 VanDerWaalsContact CE1-O 3.27Å; Y130-P133 WeakPolarHBondContact O-CA 3.39Å; P133-V135 PolarHBondContact O-N 3.22Å
134D89.7Confident92.5Very high51 Ų5176.6 Ų76.627%0.27337%0.373SS..PPolyproline II helixtrans-57.7137.4171.4-77.9-28.9000110.6R125 Y130R125-D134 WeakPolarHBondContact CD-OD2 3.05Å; R125-D134 VanDerWaalsContact CG-OD2 3.27Å; R125-D134 WeakPolarHBondContact CG-OD2 3.43Å; R125-D134 IonicContact CZ-OD1 3.72Å; R125-D134 IonicContact CZ-OD2 2.79Å; R125-D134 IonicContact NE-OD1 2.89Å; R125-D134 IonicContact NE-OD2 2.63Å; R125-D134 PolarHBondContact NE-OD2 2.97Å; R125-D134 IonicContact NH2-OD1 3.82Å; R125-D134 PolarHBondContact NH2-OD1 3.25Å; R125-D134 IonicContact NH2-OD2 3.58Å; R125-D134 PolarHBondContact NH2-OD2 3.33Å; Y130-D134 WeakPolarHBondContact CD2-OD2 3.24Å; Y130-D134 VanDerWaalsContact CE2-OD2 3.25Å; Y130-D134 WeakPolarHBondContact CE2-OD2 3.12Å
135V94.2Very high92.7Very high50 Ų5076.2 Ų76.230%0.30338%0.378SS..PPolyproline II helixtrans-92.2157.9172.9-61.80000111.6L59 H61 P133 G137 Y138L59-V135 HydrophobicContact CB-CG2 3.99Å; H61-V135 HydrophobicContact CB-CG1 4.3Å; H61-V135 HydrophobicContact CB-CG2 3.74Å; P133-V135 PolarHBondContact O-N 3.22Å; V135-G137 PolarHBondContact O-N 3.05Å; V135-Y138 VanDerWaalsContact O-CB 3.25Å; V135-Y138 WeakPolarHBondContact O-CB 3.35Å; V135-Y138 PolarHBondContact O-N 2.64Å; V135-Y138 VanDerWaalsContact O-N 3.08Å
136I93.3Very high92.8Very high171 Ų17179.1 Ų79.188%0.87739%0.389SS*.THydrogen-bonded Turntrans-58130.1177.9-61.6173.8000109.4Y138I136-Y138 VanDerWaalsContact C-N 3.32Å
137G94.4Very high93.1Very high11 Ų1173 Ų7311%0.11336%0.36CS..THydrogen-bonded Turntrans87.1-9.6-179.500000114.7V135 L139 E140 Q141V135-G137 PolarHBondContact O-N 3.05Å; G137-L139 PolarHBondContact O-N 3.01Å; G137-E140 VanDerWaalsContact CA-OE2 3.28Å; G137-E140 WeakPolarHBondContact CA-OE2 3.13Å; G137-E140 PolarHBondContact O-N 3.03Å; G137-Q141 VanDerWaalsContact O-CB 3.23Å; G137-Q141 WeakPolarHBondContact O-CB 3.35Å; G137-Q141 VanDerWaalsContact O-CG 3.29Å; G137-Q141 WeakPolarHBondContact O-CG 3.42Å; G137-Q141 PolarHBondContact O-N 2.61Å
138Y95.8Very high93.4Very high1 Ų167.8 Ų67.80%0.00435%0.345CS..Hα-helixtrans-62.6-41.3-179.6-175-91.5000112.5I56 L59 H61 W62 F64 D65 R125 V135 I136 I142 A143I56-Y138 HydrophobicContact CD1-CD2 4.42Å; I56-Y138 HydrophobicContact CD1-CE2 3.99Å; L59-Y138 HydrophobicContact CD1-CD2 4.08Å; H61-Y138 AromaticContact CD2-CD2 3.61Å; H61-Y138 AromaticContact CD2-CE2 3.62Å; W62-Y138 WeakPolarHBondContact O-CE2 3.48Å; F64-Y138 PolarHBondContact N-OH 2.74Å; D65-Y138 PolarHBondContact N-OH 3.13Å; D65-Y138 WeakPolarHBondContact OD2-CE1 3.47Å; D65-Y138 PolarHBondContact OD2-OH 3.16Å; R125-Y138 VanDerWaalsContact NH2-CE1 3.28Å; V135-Y138 VanDerWaalsContact O-CB 3.25Å; V135-Y138 WeakPolarHBondContact O-CB 3.35Å; V135-Y138 PolarHBondContact O-N 2.64Å; V135-Y138 VanDerWaalsContact O-N 3.08Å; I136-Y138 VanDerWaalsContact C-N 3.32Å; Y138-I142 HydrophobicContact CD2-CB 4.17Å; Y138-I142 HydrophobicContact CD2-CG1 4.06Å; Y138-I142 HydrophobicContact CE2-CB 3.99Å; Y138-I142 HydrophobicContact CE2-CG1 4.12Å; Y138-I142 HydrophobicContact CE2-CG2 3.89Å; Y138-I142 WeakPolarHBondContact O-CA 3.4Å; Y138-I142 VanDerWaalsContact O-CB 3.29Å; Y138-I142 WeakPolarHBondContact O-CB 3.38Å; Y138-I142 PolarHBondContact O-N 3.13Å; Y138-A143 HydrophobicContact CD1-CB 4.36Å; Y138-A143 HydrophobicContact CE1-CB 4.02Å; Y138-A143 PolarHBondContact O-N 3.03Å
139L95.9Very high93.8Very high12 Ų1266.2 Ų66.26%0.06335%0.347CS..Iπ-helixtrans-63.5-51.3176.3173.961.3000111.1Y118 G137 A143 W144Y118-L139 HydrophobicContact CE2-CD2 4.19Å; Y118-L139 HydrophobicContact CE2-CG 4.1Å; G137-L139 PolarHBondContact O-N 3.01Å; L139-A143 HydrophobicContact CD1-CB 4.19Å; L139-W144 HydrophobicContact CD1-CB 4.1Å; L139-W144 WeakPolarHBondContact O-CB 3.43Å; L139-W144 PolarHBondContact O-N 3.36Å
140E96.5Very high94.1Very high97 Ų9759.7 Ų59.745%0.45331%0.308SS..Iπ-helixtrans-62.7-42.8-175.7-67.766.2-157.200112.1Y118 G137 P145Y118-E140 WeakPolarHBondContact OH-CG 3.34Å; Y118-E140 PolarHBondContact OH-OE1 3.39Å; G137-E140 VanDerWaalsContact CA-OE2 3.28Å; G137-E140 WeakPolarHBondContact CA-OE2 3.13Å; G137-E140 PolarHBondContact O-N 3.03Å; E140-P145 VanDerWaalsContact O-CD 3.29Å; E140-P145 WeakPolarHBondContact O-CD 3.32Å; E140-P145 WeakPolarHBondContact O-CG 3.4Å
141Q96.6Very high94.7Very high112 Ų11261.6 Ų61.652%0.52332%0.315SS..Iπ-helixtrans-94.9-26.3-169.6-62178.546.500113.3G137G137-Q141 VanDerWaalsContact O-CB 3.23Å; G137-Q141 WeakPolarHBondContact O-CB 3.35Å; G137-Q141 VanDerWaalsContact O-CG 3.29Å; G137-Q141 WeakPolarHBondContact O-CG 3.42Å; G137-Q141 PolarHBondContact O-N 2.61Å
142I96.3Very high95.3Very high21 Ų2155 Ų5511%0.10829%0.294CS..Iπ-helixtrans-121.4-74.2-172.6-51.5-65.1000110I56 L59 N63 D65 Y138 W144 P145 Y146I56-I142 HydrophobicContact CD1-CD1 3.67Å; I56-I142 HydrophobicContact CD1-CG1 3.71Å; I56-I142 HydrophobicContact CD1-CG2 4.36Å; I56-I142 HydrophobicContact CG1-CD1 4.29Å; I56-I142 HydrophobicContact CG2-CD1 4.39Å; L59-I142 HydrophobicContact CD1-CD1 4.41Å; L59-I142 HydrophobicContact CD1-CG1 3.74Å; N63-I142 WeakPolarHBondContact OD1-CG2 3.35Å; D65-I142 HydrophobicContact CB-CG2 4.42Å; Y138-I142 HydrophobicContact CD2-CB 4.17Å; Y138-I142 HydrophobicContact CD2-CG1 4.06Å; Y138-I142 HydrophobicContact CE2-CB 3.99Å; Y138-I142 HydrophobicContact CE2-CG1 4.12Å; Y138-I142 HydrophobicContact CE2-CG2 3.89Å; Y138-I142 WeakPolarHBondContact O-CA 3.4Å; Y138-I142 VanDerWaalsContact O-CB 3.29Å; Y138-I142 WeakPolarHBondContact O-CB 3.38Å; Y138-I142 PolarHBondContact O-N 3.13Å; I142-W144 VanDerWaalsContact C-N 3.34Å; I142-W144 PolarHBondContact O-N 3.15Å; I142-P145 VanDerWaalsContact O-CD 3.24Å; I142-P145 WeakPolarHBondContact O-CD 3.2Å; I142-Y146 HydrophobicContact CG2-CD2 4.01Å; I142-Y146 HydrophobicContact CG2-CE2 4.09Å; I142-Y146 VanDerWaalsContact O-CD2 3.31Å; I142-Y146 WeakPolarHBondContact O-CD2 3.34Å; I142-Y146 PolarHBondContact O-N 3.05Å
143A95.7Very high95.7Very high1 Ų157.7 Ų57.71%0.00830%0.301CS..Iπ-helixtrans-63.7-37.2-165.200000114D65 Y138 L139 Y147D65-A143 HydrophobicContact CB-CB 4.42Å; D65-A143 WeakPolarHBondContact OD2-CB 3.32Å; Y138-A143 HydrophobicContact CD1-CB 4.36Å; Y138-A143 HydrophobicContact CE1-CB 4.02Å; Y138-A143 PolarHBondContact O-N 3.03Å; L139-A143 HydrophobicContact CD1-CB 4.19Å; A143-Y147 PolarHBondContact O-N 2.82Å
144W97.3Very high96.1Very high37 Ų3753.3 Ų53.314%0.1427%0.273CS..Hα-helixtrans-71.9-47.7178.4-171.1-101.5000112.7V116 Y118 C121 L139 I142 Y146 Y147 Q148V116-W144 WeakPolarHBondContact O-CH2 3.12Å; Y118-W144 HydrophobicContact CD2-CB 4.42Å; Y118-W144 AromaticContact CD2-CD1 3.92Å; Y118-W144 AromaticContact CD2-CD2 3.46Å; Y118-W144 HydrophobicContact CD2-CD2 3.46Å; Y118-W144 VanDerWaalsContact CD2-CD2 3.46Å; Y118-W144 AromaticContact CD2-CE2 3.55Å; Y118-W144 AromaticContact CD2-CE3 3.86Å; Y118-W144 HydrophobicContact CD2-CE3 3.86Å; Y118-W144 AromaticContact CD2-CG 3.7Å; Y118-W144 HydrophobicContact CD2-CG 3.7Å; Y118-W144 HydrophobicContact CD2-CH2 4.33Å; Y118-W144 HydrophobicContact CD2-CZ2 4Å; Y118-W144 HydrophobicContact CD2-CZ3 4.28Å; Y118-W144 AromaticContact CD2-NE1 3.82Å; Y118-W144 HydrophobicContact CE2-CB 4.06Å; Y118-W144 AromaticContact CE2-CD2 4Å; Y118-W144 HydrophobicContact CE2-CD2 4Å; Y118-W144 HydrophobicContact CE2-CE3 4.43Å; Y118-W144 AromaticContact CE2-CG 3.8Å; Y118-W144 HydrophobicContact CE2-CG 3.8Å; Y118-W144 HydrophobicContact CG-CZ2 4.45Å; C121-W144 HydrophobicContact CB-CE3 4.42Å; C121-W144 HydrophobicContact CB-CZ3 3.85Å; L139-W144 HydrophobicContact CD1-CB 4.1Å; L139-W144 WeakPolarHBondContact O-CB 3.43Å; L139-W144 PolarHBondContact O-N 3.36Å; I142-W144 VanDerWaalsContact C-N 3.34Å; I142-W144 PolarHBondContact O-N 3.15Å; W144-Y146 VanDerWaalsContact C-N 3.31Å; W144-Y146 PolarHBondContact O-N 2.64Å; W144-Y147 AromaticContact CD2-CD1 3.97Å; W144-Y147 HydrophobicContact CD2-CD1 3.97Å; W144-Y147 AromaticContact CE3-CD1 3.7Å; W144-Y147 HydrophobicContact CE3-CD1 3.7Å; W144-Y147 HydrophobicContact CE3-CE1 4.29Å; W144-Y147 AromaticContact CH2-CD1 3.88Å; W144-Y147 HydrophobicContact CH2-CD1 3.88Å; W144-Y147 AromaticContact CH2-CE1 3.6Å; W144-Y147 HydrophobicContact CH2-CE1 3.6Å; W144-Y147 HydrophobicContact CZ2-CD1 4.12Å; W144-Y147 AromaticContact CZ2-CE1 3.94Å; W144-Y147 HydrophobicContact CZ2-CE1 3.94Å; W144-Y147 AromaticContact CZ3-CD1 3.65Å; W144-Y147 HydrophobicContact CZ3-CD1 3.65Å; W144-Y147 AromaticContact CZ3-CE1 3.78Å; W144-Y147 HydrophobicContact CZ3-CE1 3.78Å; W144-Y147 CarbonylContact O-C 3.43Å; W144-Y147 WeakPolarHBondContact O-CB 3.17Å; W144-Y147 PolarHBondContact O-N 2.69Å; W144-Y147 VanDerWaalsContact O-N 3.15Å; W144-Q148 WeakPolarHBondContact O-CG 3.35Å; W144-Q148 PolarHBondContact O-N 3.25Å
145P97.4Very high96.4Very high48 Ų4855 Ų5531%0.31228%0.282SS..Hα-helixtrans-53.5-42.4170.3-32.237.4000114.6E140 I142 Q148 S149E140-P145 VanDerWaalsContact O-CD 3.29Å; E140-P145 WeakPolarHBondContact O-CD 3.32Å; E140-P145 WeakPolarHBondContact O-CG 3.4Å; I142-P145 VanDerWaalsContact O-CD 3.24Å; I142-P145 WeakPolarHBondContact O-CD 3.2Å; P145-Q148 PolarHBondContact O-N 3.26Å; P145-S149 PolarHBondContact O-N 3.14Å
146Y96.8Very high96.6Very high74 Ų7457.6 Ų57.629%0.2930%0.302SS..Hα-helixtrans-62.4-45.2175-89.8-88.6000111.7N63 D65 S66 I142 W144 Q148 S149 S150N63-Y146 VanDerWaalsContact ND2-CE2 3.34Å; N63-Y146 WeakPolarHBondContact ND2-CE2 3.48Å; N63-Y146 PolarHBondContact ND2-OH 3.3Å; D65-Y146 HydrophobicContact CB-CD2 4.34Å; D65-Y146 HydrophobicContact CB-CG 4.18Å; D65-Y146 WeakPolarHBondContact O-CD1 3.3Å; D65-Y146 WeakPolarHBondContact O-CE1 3.23Å; S66-Y146 PolarHBondContact OG-OH 3.42Å; S66-Y146 VanDerWaalsContact OG-OH 3.06Å; I142-Y146 HydrophobicContact CG2-CD2 4.01Å; I142-Y146 HydrophobicContact CG2-CE2 4.09Å; I142-Y146 VanDerWaalsContact O-CD2 3.31Å; I142-Y146 WeakPolarHBondContact O-CD2 3.34Å; I142-Y146 PolarHBondContact O-N 3.05Å; W144-Y146 VanDerWaalsContact C-N 3.31Å; W144-Y146 PolarHBondContact O-N 2.64Å; Y146-Q148 VanDerWaalsContact C-N 3.34Å; Y146-Q148 PolarHBondContact O-N 3.07Å; Y146-S149 WeakPolarHBondContact O-CB 3.32Å; Y146-S149 PolarHBondContact O-N 3.21Å; Y146-S150 PolarHBondContact O-N 2.98Å
147Y97.1Very high96.7Very high25 Ų2553.2 Ų53.210%0.09827%0.274CS..Hα-helixtrans-58.2-43.5171.8162.8-112.3000112.4A15 F113 A143 W144 S149 S150 Y151A15-Y147 VanDerWaalsContact CA-CD2 3.45Å; A15-Y147 HydrophobicContact CB-CD1 4.45Å; A15-Y147 HydrophobicContact CB-CD2 3.66Å; A15-Y147 HydrophobicContact CB-CE1 4.25Å; A15-Y147 HydrophobicContact CB-CE2 3.42Å; A15-Y147 VanDerWaalsContact CB-CE2 3.42Å; A15-Y147 HydrophobicContact CB-CG 4.16Å; F113-Y147 AromaticContact CE1-CE2 3.86Å; F113-Y147 HydrophobicContact CE1-CE2 3.86Å; F113-Y147 HydrophobicContact CZ-CE2 4.12Å; A143-Y147 PolarHBondContact O-N 2.82Å; W144-Y147 AromaticContact CD2-CD1 3.97Å; W144-Y147 HydrophobicContact CD2-CD1 3.97Å; W144-Y147 AromaticContact CE3-CD1 3.7Å; W144-Y147 HydrophobicContact CE3-CD1 3.7Å; W144-Y147 HydrophobicContact CE3-CE1 4.29Å; W144-Y147 AromaticContact CH2-CD1 3.88Å; W144-Y147 HydrophobicContact CH2-CD1 3.88Å; W144-Y147 AromaticContact CH2-CE1 3.6Å; W144-Y147 HydrophobicContact CH2-CE1 3.6Å; W144-Y147 HydrophobicContact CZ2-CD1 4.12Å; W144-Y147 AromaticContact CZ2-CE1 3.94Å; W144-Y147 HydrophobicContact CZ2-CE1 3.94Å; W144-Y147 AromaticContact CZ3-CD1 3.65Å; W144-Y147 HydrophobicContact CZ3-CD1 3.65Å; W144-Y147 AromaticContact CZ3-CE1 3.78Å; W144-Y147 HydrophobicContact CZ3-CE1 3.78Å; W144-Y147 CarbonylContact O-C 3.43Å; W144-Y147 WeakPolarHBondContact O-CB 3.17Å; W144-Y147 PolarHBondContact O-N 2.69Å; W144-Y147 VanDerWaalsContact O-N 3.15Å; Y147-S149 VanDerWaalsContact C-N 3.31Å; Y147-S149 PolarHBondContact O-N 3.12Å; Y147-S150 WeakPolarHBondContact O-CB 3.43Å; Y147-S150 PolarHBondContact O-N 2.89Å; Y147-Y151 VanDerWaalsContact O-CB 3.3Å; Y147-Y151 WeakPolarHBondContact O-CB 3.38Å; Y147-Y151 PolarHBondContact O-N 2.95Å
148Q97.8Very high96.7Very high101 Ų10154.1 Ų54.147%0.47228%0.281SS..Hα-helixtrans-61.9-39.2178.4-71.1177.9-65.900112.1W144 P145 Y146 Y151 A152W144-Q148 WeakPolarHBondContact O-CG 3.35Å; W144-Q148 PolarHBondContact O-N 3.25Å; P145-Q148 PolarHBondContact O-N 3.26Å; Y146-Q148 VanDerWaalsContact C-N 3.34Å; Y146-Q148 PolarHBondContact O-N 3.07Å; Q148-Y151 PolarHBondContact O-N 2.8Å; Q148-A152 WeakPolarHBondContact O-CB 3.35Å; Q148-A152 PolarHBondContact O-N 3.04Å
149S96.6Very high96.7Very high55 Ų5562.1 Ų62.139%0.38532%0.324SS..Hα-helixtrans-62.3-48.7172.6-176.90000111.4P145 Y146 Y147 Y151 A152 K153P145-S149 PolarHBondContact O-N 3.14Å; Y146-S149 WeakPolarHBondContact O-CB 3.32Å; Y146-S149 PolarHBondContact O-N 3.21Å; Y147-S149 VanDerWaalsContact C-N 3.31Å; Y147-S149 PolarHBondContact O-N 3.12Å; S149-Y151 VanDerWaalsContact C-N 3.33Å; S149-Y151 PolarHBondContact O-N 2.76Å; S149-A152 PolarHBondContact O-N 2.91Å; S149-K153 WeakPolarHBondContact O-CG 3Å; S149-K153 PolarHBondContact O-N 3.49Å
150S96.5Very high96.7Very high5 Ų564.2 Ų64.24%0.03534%0.34CS..Hα-helixtrans-58.1-44.2176.1-152.10000112.1E100 Y146 Y147 K153 A154E100-S150 WeakPolarHBondContact OE1-CB 3.44Å; E100-S150 PolarHBondContact OE1-OG 3.32Å; Y146-S150 PolarHBondContact O-N 2.98Å; Y147-S150 WeakPolarHBondContact O-CB 3.43Å; Y147-S150 PolarHBondContact O-N 2.89Å; S150-K153 PolarHBondContact O-N 3.02Å; S150-A154 WeakPolarHBondContact O-CB 3.23Å; S150-A154 PolarHBondContact O-N 3.46Å
151Y97.8Very high96.7Very high86 Ų8660.3 Ų60.334%0.33732%0.321SS..Hα-helixtrans-61.9-45.6176.5175.5-100.5000111.9F113 T115 Y147 Q148 S149 K153 A154 L155 W163F113-Y151 HydrophobicContact CD1-CD2 4.48Å; F113-Y151 AromaticContact CE1-CD2 3.81Å; F113-Y151 HydrophobicContact CE1-CD2 3.81Å; F113-Y151 HydrophobicContact CZ-CD2 4.42Å; T115-Y151 HydrophobicContact CG2-CD2 4.16Å; T115-Y151 HydrophobicContact CG2-CE2 3.89Å; Y147-Y151 VanDerWaalsContact O-CB 3.3Å; Y147-Y151 WeakPolarHBondContact O-CB 3.38Å; Y147-Y151 PolarHBondContact O-N 2.95Å; Q148-Y151 PolarHBondContact O-N 2.8Å; S149-Y151 VanDerWaalsContact C-N 3.33Å; S149-Y151 PolarHBondContact O-N 2.76Å; Y151-K153 VanDerWaalsContact C-N 3.35Å; Y151-K153 PolarHBondContact O-N 2.97Å; Y151-A154 PolarHBondContact O-N 2.94Å; Y151-L155 HydrophobicContact CE1-CD2 4.19Å; Y151-L155 VanDerWaalsContact O-CB 3.31Å; Y151-L155 WeakPolarHBondContact O-CB 3.35Å; Y151-L155 PolarHBondContact O-N 3.23Å; Y151-W163 HydrophobicContact CD2-CH2 4.33Å; Y151-W163 AromaticContact CD2-CZ3 3.81Å; Y151-W163 HydrophobicContact CD2-CZ3 3.81Å; Y151-W163 HydrophobicContact CE2-CE3 4.39Å; Y151-W163 HydrophobicContact CE2-CH2 4.09Å; Y151-W163 AromaticContact CE2-CZ3 3.53Å; Y151-W163 HydrophobicContact CE2-CZ3 3.53Å
152A97.9Very high96.8Very high58 Ų5857.3 Ų57.348%0.47931%0.307SS..Hα-helixtrans-61.9-41.5177.200000112.1Q148 S149 L155 S156Q148-A152 WeakPolarHBondContact O-CB 3.35Å; Q148-A152 PolarHBondContact O-N 3.04Å; S149-A152 PolarHBondContact O-N 2.91Å; A152-L155 PolarHBondContact O-N 3.37Å; A152-S156 PolarHBondContact O-N 2.83Å; A152-S156 VanDerWaalsContact O-N 3.08Å
153K96.8Very high96.8Very high101 Ų10160.3 Ų60.344%0.43932%0.317SS..Hα-helixtrans-65.2-37.3174.4-66.1172.6-168.81750112.5E100 S149 S150 Y151 S156 R157E100-K153 IonicContact OE2-NZ 2.74Å; E100-K153 PolarHBondContact OE2-NZ 3.34Å; S149-K153 WeakPolarHBondContact O-CG 3Å; S149-K153 PolarHBondContact O-N 3.49Å; S150-K153 PolarHBondContact O-N 3.02Å; Y151-K153 VanDerWaalsContact C-N 3.35Å; Y151-K153 PolarHBondContact O-N 2.97Å; K153-S156 PolarHBondContact O-OG 2.85Å; K153-R157 WeakPolarHBondContact O-CG 3.32Å
154A97.1Very high96.9Very high3 Ų360.4 Ų60.43%0.02532%0.317CS..Hα-helixtrans-69.7-40.4175.100000111.4F113 S150 Y151 S156 R157 A158 F161 W163F113-A154 HydrophobicContact CD2-CB 3.43Å; F113-A154 VanDerWaalsContact CD2-CB 3.43Å; F113-A154 HydrophobicContact CE2-CB 3.41Å; F113-A154 VanDerWaalsContact CE2-CB 3.41Å; F113-A154 HydrophobicContact CG-CB 4.1Å; F113-A154 HydrophobicContact CZ-CB 4.07Å; S150-A154 WeakPolarHBondContact O-CB 3.23Å; S150-A154 PolarHBondContact O-N 3.46Å; Y151-A154 PolarHBondContact O-N 2.94Å; A154-S156 VanDerWaalsContact C-N 3.33Å; A154-S156 PolarHBondContact O-N 3.02Å; A154-R157 CarbonylContact O-C 3.16Å; A154-R157 PolarHBondContact O-N 2.91Å; A154-R157 VanDerWaalsContact O-N 3.1Å; A154-A158 PolarHBondContact O-N 2.78Å; A154-F161 HydrophobicContact CB-CD2 4.11Å; A154-F161 HydrophobicContact CB-CE2 3.78Å; A154-F161 HydrophobicContact CB-CZ 4.08Å; A154-W163 HydrophobicContact CB-CH2 3.89Å
155L97.1Very high96.9Very high86 Ų8661.3 Ų61.345%0.4533%0.325SS..Hα-helixtrans-65.1-33.7179.8-168.267.9000112.5Y151 A152 R157 A158 W163Y151-L155 HydrophobicContact CE1-CD2 4.19Å; Y151-L155 VanDerWaalsContact O-CB 3.31Å; Y151-L155 WeakPolarHBondContact O-CB 3.35Å; Y151-L155 PolarHBondContact O-N 3.23Å; A152-L155 PolarHBondContact O-N 3.37Å; L155-R157 PolarHBondContact O-N 3.39Å; L155-R157 VanDerWaalsContact O-N 3.08Å; L155-A158 HydrophobicContact CD1-CB 4.42Å; L155-A158 WeakPolarHBondContact O-CB 3.41Å; L155-A158 PolarHBondContact O-N 2.81Å; L155-W163 HydrophobicContact CB-CH2 4.33Å; L155-W163 HydrophobicContact CD1-CH2 4.22Å; L155-W163 HydrophobicContact CD1-CZ2 4.19Å
156S97.4Very high96.9Very high105 Ų10559 Ų5973%0.73431%0.31SS*.THydrogen-bonded Turntrans-64.7-12175.368.20000113.9A152 K153 A154A152-S156 PolarHBondContact O-N 2.83Å; A152-S156 VanDerWaalsContact O-N 3.08Å; K153-S156 PolarHBondContact O-OG 2.85Å; A154-S156 VanDerWaalsContact C-N 3.33Å; A154-S156 PolarHBondContact O-N 3.02Å
157R96Very high96.8Very high78 Ų7858.1 Ų58.129%0.29431%0.31SS..THydrogen-bonded Turntrans-135.645.8174.648.3161.8179.2177.72.4110.3F99 D105 K153 A154 L155 D159 S160 F161F99-R157 PolarHBondContact O-NH2 3.32Å; F99-R157 VanDerWaalsContact O-NH2 3.17Å; D105-R157 IonicContact OD1-NH1 3.76Å; D105-R157 IonicContact OD1-NH2 3.11Å; D105-R157 IonicContact OD2-CZ 2.8Å; D105-R157 IonicContact OD2-NH1 2.91Å; D105-R157 PolarHBondContact OD2-NH1 3.45Å; D105-R157 IonicContact OD2-NH2 3.69Å; D105-R157 PolarHBondContact OD2-NH2 2.82Å; K153-R157 WeakPolarHBondContact O-CG 3.32Å; A154-R157 CarbonylContact O-C 3.16Å; A154-R157 PolarHBondContact O-N 2.91Å; A154-R157 VanDerWaalsContact O-N 3.1Å; L155-R157 PolarHBondContact O-N 3.39Å; L155-R157 VanDerWaalsContact O-N 3.08Å; R157-D159 PolarHBondContact O-N 3.04Å; R157-D159 VanDerWaalsContact O-N 3.1Å; R157-S160 VanDerWaalsContact O-CB 3.3Å; R157-S160 WeakPolarHBondContact O-CB 3.27Å; R157-S160 PolarHBondContact O-N 2.97Å; R157-F161 HydrophobicContact CG-CE2 3.87Å; R157-F161 WeakPolarHBondContact O-CD2 3.44Å
158A94.8Very high96.7Very high31 Ų3160 Ų6026%0.25632%0.32SS..G310 helixtrans-55.3-31.7-171.400000114.4A154 L155 S160 F161 W163A154-A158 PolarHBondContact O-N 2.78Å; L155-A158 HydrophobicContact CD1-CB 4.42Å; L155-A158 WeakPolarHBondContact O-CB 3.41Å; L155-A158 PolarHBondContact O-N 2.81Å; A158-S160 PolarHBondContact O-N 2.87Å; A158-F161 PolarHBondContact O-N 2.81Å; A158-W163 HydrophobicContact CB-CZ2 3.96Å; A158-W163 PolarHBondContact O-NE1 3.36Å; A158-W163 VanDerWaalsContact O-NE1 3.12Å
159D95.2Very high96.4Very high169 Ų16958.3 Ų58.390%0.90432%0.318SS*.G310 helixtrans-68.8-16.5178.1-61.9-30.3000113.4R157 F161R157-D159 PolarHBondContact O-N 3.04Å; R157-D159 VanDerWaalsContact O-N 3.1Å; D159-F161 VanDerWaalsContact C-N 3.26Å
160S95.7Very high96.1Very high56 Ų5658.8 Ų58.839%0.39232%0.317SS..G310 helixtrans-81.9-3.3175.3-56.70000113.2R157 A158R157-S160 VanDerWaalsContact O-CB 3.3Å; R157-S160 WeakPolarHBondContact O-CB 3.27Å; R157-S160 PolarHBondContact O-N 2.97Å; A158-S160 PolarHBondContact O-N 2.87Å
161F97.8Very high95.6Very high14 Ų1462.6 Ų62.66%0.06134%0.337CS..  trans-126.5139.2-173.9-67.2-81.5000112.4F99 R111 F113 A154 R157 A158 D159 W163F99-F161 HydrophobicContact CB-CE1 4.45Å; F99-F161 HydrophobicContact CB-CZ 4.36Å; F99-F161 HydrophobicContact CD1-CE1 4.07Å; F99-F161 HydrophobicContact CD2-CD1 4.48Å; F99-F161 AromaticContact CD2-CE1 3.53Å; F99-F161 HydrophobicContact CD2-CE1 3.53Å; F99-F161 HydrophobicContact CD2-CZ 4.19Å; F99-F161 HydrophobicContact CE1-CE1 4.17Å; F99-F161 HydrophobicContact CE2-CD1 4.18Å; F99-F161 AromaticContact CE2-CE1 3.6Å; F99-F161 HydrophobicContact CE2-CE1 3.6Å; F99-F161 AromaticContact CG-CE1 3.77Å; F99-F161 HydrophobicContact CG-CE1 3.77Å; F99-F161 HydrophobicContact CG-CZ 4.16Å; F99-F161 HydrophobicContact CZ-CD1 4.44Å; F99-F161 AromaticContact CZ-CE1 3.93Å; F99-F161 HydrophobicContact CZ-CE1 3.93Å; R111-F161 HydrophobicContact CB-CD1 3.4Å; R111-F161 VanDerWaalsContact CB-CD1 3.4Å; R111-F161 HydrophobicContact CB-CE1 3.55Å; R111-F161 HydrophobicContact CB-CG 4.34Å; R111-F161 HydrophobicContact CG-CD1 4.41Å; R111-F161 HydrophobicContact CG-CE1 4.13Å; R111-F161 WeakPolarHBondContact O-CA 3.3Å; F113-F161 HydrophobicContact CB-CB 4.21Å; F113-F161 HydrophobicContact CB-CD1 3.8Å; F113-F161 HydrophobicContact CB-CE1 4.5Å; F113-F161 HydrophobicContact CB-CG 4.15Å; F113-F161 HydrophobicContact CD2-CD1 4.32Å; F113-F161 HydrophobicContact CD2-CE1 4.23Å; A154-F161 HydrophobicContact CB-CD2 4.11Å; A154-F161 HydrophobicContact CB-CE2 3.78Å; A154-F161 HydrophobicContact CB-CZ 4.08Å; R157-F161 HydrophobicContact CG-CE2 3.87Å; R157-F161 WeakPolarHBondContact O-CD2 3.44Å; A158-F161 PolarHBondContact O-N 2.81Å; D159-F161 VanDerWaalsContact C-N 3.26Å; F161-W163 HydrophobicContact CB-CZ2 4.39Å
162E97.1Very high95Very high50 Ų5063.2 Ų63.223%0.23434%0.343CS..EExtended strand (participates in β ladder)trans-88.2119.3158.3-170172.8159.800109.2Q110 R111 F112 F113 S180Q110-E162 PolarHBondContact NE2-OE2 3.34Å; R111-E162 PolarHBondContact O-N 2.81Å; F112-E162 VanDerWaalsContact CA-O 3.31Å; F112-E162 WeakPolarHBondContact CA-O 3.35Å; F112-E162 HydrophobicContact CD1-CB 3.76Å; F112-E162 HydrophobicContact CD1-CG 4.01Å; F112-E162 HydrophobicContact CE1-CB 3.96Å; F112-E162 HydrophobicContact CE1-CG 3.97Å; F112-E162 WeakPolarHBondContact CE1-OE2 3.4Å; F113-E162 PolarHBondContact N-O 3.04Å; E162-S180 WeakPolarHBondContact OE2-CB 3.41Å; E162-S180 PolarHBondContact OE2-OG 3.07Å
163W97.9Very high94.8Very high84 Ų8460.5 Ų60.532%0.31832%0.32SS..EExtended strand (participates in β ladder)trans-88.7126.1-172.6-64.385.8000111.2F113 T115 Y151 A154 L155 A158 F161F113-W163 HydrophobicContact CB-CE3 4.02Å; F113-W163 HydrophobicContact CB-CZ3 4.1Å; F113-W163 AromaticContact CD1-CE3 3.9Å; F113-W163 HydrophobicContact CD1-CE3 3.9Å; F113-W163 HydrophobicContact CD1-CH2 4.35Å; F113-W163 AromaticContact CD1-CZ3 3.47Å; F113-W163 HydrophobicContact CD1-CZ3 3.47Å; F113-W163 VanDerWaalsContact CD1-CZ3 3.47Å; F113-W163 HydrophobicContact CE1-CZ3 4.09Å; F113-W163 HydrophobicContact CG-CE3 4.25Å; F113-W163 HydrophobicContact CG-CH2 4.44Å; F113-W163 AromaticContact CG-CZ3 3.88Å; F113-W163 HydrophobicContact CG-CZ3 3.88Å; T115-W163 HydrophobicContact CG2-CE3 3.94Å; T115-W163 HydrophobicContact CG2-CZ3 4.14Å; Y151-W163 HydrophobicContact CD2-CH2 4.33Å; Y151-W163 AromaticContact CD2-CZ3 3.81Å; Y151-W163 HydrophobicContact CD2-CZ3 3.81Å; Y151-W163 HydrophobicContact CE2-CE3 4.39Å; Y151-W163 HydrophobicContact CE2-CH2 4.09Å; Y151-W163 AromaticContact CE2-CZ3 3.53Å; Y151-W163 HydrophobicContact CE2-CZ3 3.53Å; A154-W163 HydrophobicContact CB-CH2 3.89Å; L155-W163 HydrophobicContact CB-CH2 4.33Å; L155-W163 HydrophobicContact CD1-CH2 4.22Å; L155-W163 HydrophobicContact CD1-CZ2 4.19Å; A158-W163 HydrophobicContact CB-CZ2 3.96Å; A158-W163 PolarHBondContact O-NE1 3.36Å; A158-W163 VanDerWaalsContact O-NE1 3.12Å; F161-W163 HydrophobicContact CB-CZ2 4.39Å
164I97.8Very high94.6Very high2 Ų256 Ų561%0.0130%0.3CS..EExtended strand (participates in β ladder)trans-116.8121.6-177.6-58.4-60.3000109.9F112 F113 F114 T115 G166 I173 V177F112-I164 HydrophobicContact CB-CG1 4.28Å; F112-I164 HydrophobicContact CD1-CD1 4.04Å; F112-I164 HydrophobicContact CD1-CG1 3.93Å; F113-I164 PolarHBondContact O-N 3.21Å; F114-I164 CarbonylContact C-O 3.58Å; F114-I164 WeakPolarHBondContact CA-O 3.27Å; F114-I164 HydrophobicContact CD1-CB 4.01Å; F114-I164 HydrophobicContact CD1-CG2 3.57Å; F114-I164 HydrophobicContact CD2-CB 4.22Å; F114-I164 HydrophobicContact CD2-CG1 4.43Å; F114-I164 HydrophobicContact CE1-CB 4.14Å; F114-I164 HydrophobicContact CE1-CG2 3.48Å; F114-I164 VanDerWaalsContact CE1-CG2 3.48Å; F114-I164 HydrophobicContact CE2-CB 4.32Å; F114-I164 HydrophobicContact CE2-CG1 4.17Å; F114-I164 HydrophobicContact CE2-CG2 4.48Å; F114-I164 HydrophobicContact CG-CB 4.05Å; F114-I164 HydrophobicContact CG-CG2 4.14Å; F114-I164 HydrophobicContact CZ-CB 4.28Å; F114-I164 HydrophobicContact CZ-CG1 4.25Å; F114-I164 HydrophobicContact CZ-CG2 3.96Å; T115-I164 PolarHBondContact N-O 3.42Å; T115-I164 PolarHBondContact OG1-O 3.16Å; I164-G166 PolarHBondContact O-N 2.96Å; I164-I173 HydrophobicContact CG2-CB 4.36Å; I164-I173 HydrophobicContact CG2-CD1 4.42Å; I164-I173 HydrophobicContact CG2-CG1 4.14Å; I164-I173 HydrophobicContact CG2-CG2 3.41Å; I164-I173 VanDerWaalsContact CG2-CG2 3.41Å; I164-V177 HydrophobicContact CD1-CG2 3.82Å; I164-V177 HydrophobicContact CG1-CG2 4.09Å
165N97.1Very high94Very high56 Ų5657.1 Ų57.130%0.29931%0.306SS..EExtended strand (participates in β ladder)trans-84.5104.6175.4179.75.7000110.9D167 E168 I173N165-D167 PolarHBondContact O-N 3.44Å; N165-D167 WeakPolarHBondContact OD1-CB 3.2Å; N165-D167 PolarHBondContact OD1-N 2.76Å; N165-D167 PolarHBondContact OD1-OD2 2.97Å; N165-E168 HydrophobicContact CB-CG 4Å; N165-E168 WeakPolarHBondContact O-CB 3.35Å; N165-E168 PolarHBondContact O-N 3.38Å; N165-E168 VanDerWaalsContact O-N 3.15Å; N165-I173 WeakPolarHBondContact O-CD1 3.39Å
166G96.5Very high93.6Very high0 Ų056.4 Ų56.40%030%0.297CS..THydrogen-bonded Turntrans-70.1-4.2-179.600000115.7S18 T115 R124 I164 E168S18-G166 VanDerWaalsContact O-CA 3.23Å; S18-G166 WeakPolarHBondContact O-CA 3.32Å; T115-G166 VanDerWaalsContact O-CA 3.23Å; T115-G166 WeakPolarHBondContact O-CA 3.32Å; T115-G166 PolarHBondContact O-N 3.19Å; R124-G166 PolarHBondContact NH1-O 3.49Å; R124-G166 PolarHBondContact NH2-O 3.42Å; I164-G166 PolarHBondContact O-N 2.96Å; G166-E168 VanDerWaalsContact C-N 3.33Å
167D95.6Very high93.5Very high55 Ų5551.4 Ų51.429%0.29426%0.262SS..THydrogen-bonded Turntrans-77.2-20.8169.4-69.2-68.7000112.6S117 R120 N165S117-D167 PolarHBondContact N-OD2 3.26Å; S117-D167 PolarHBondContact OG-OD1 2.97Å; S117-D167 PolarHBondContact OG-OD2 3.11Å; R120-D167 WeakPolarHBondContact CB-OD1 3.07Å; R120-D167 VanDerWaalsContact CG-OD1 3.24Å; R120-D167 WeakPolarHBondContact CG-OD1 3.36Å; N165-D167 PolarHBondContact O-N 3.44Å; N165-D167 WeakPolarHBondContact OD1-CB 3.2Å; N165-D167 PolarHBondContact OD1-N 2.76Å; N165-D167 PolarHBondContact OD1-OD2 2.97Å
168E93.7Very high93.3Very high66 Ų6647.7 Ų47.731%0.30825%0.248SC..SBendtrans-74.8174.7-177.3-63.6173.1159.600113.3N165 G166 L170 I173 R176N165-E168 HydrophobicContact CB-CG 4Å; N165-E168 WeakPolarHBondContact O-CB 3.35Å; N165-E168 PolarHBondContact O-N 3.38Å; N165-E168 VanDerWaalsContact O-N 3.15Å; G166-E168 VanDerWaalsContact C-N 3.33Å; E168-L170 PolarHBondContact O-N 2.91Å; E168-I173 HydrophobicContact CB-CD1 4.17Å; E168-I173 HydrophobicContact CB-CG1 4.14Å; E168-R176 IonicContact OE1-NH1 3.16Å; E168-R176 IonicContact OE2-CZ 2.73Å; E168-R176 IonicContact OE2-NH1 3.98Å; E168-R176 PolarHBondContact OE2-NH1 3.34Å; E168-R176 IonicContact OE2-NH2 3.3Å; E168-R176 PolarHBondContact OE2-NH2 2.96Å
169C91.3Very high92.8Very high64 Ų6446.3 Ų46.343%0.43224%0.237SC..  trans-66.6132.1178.6-1740000111.1D171 E172 I173C169-D171 PolarHBondContact O-N 3.45Å; C169-E172 HydrophobicContact CB-CB 4.41Å; C169-E172 HydrophobicContact CB-CG 4.16Å; C169-E172 PolarHBondContact O-N 3.36Å; C169-E172 VanDerWaalsContact O-N 3.09Å; C169-I173 WeakPolarHBondContact O-CG1 3.37Å; C169-I173 PolarHBondContact O-N 3.44Å
170L90.6Very high92.6Very high66 Ų6638.8 Ų38.835%0.34620%0.197SC..Hα-helixtrans-57.8-34.8-179.9-72.7176.6000112.9I23 E168 I173 F174I23-L170 HydrophobicContact CD1-CD2 4.06Å; I23-L170 HydrophobicContact CG1-CD2 4.41Å; E168-L170 PolarHBondContact O-N 2.91Å; L170-I173 PolarHBondContact O-N 3.27Å; L170-F174 WeakPolarHBondContact O-CB 3.33Å; L170-F174 PolarHBondContact O-N 3.21Å
171D85.7Confident92.5Very high85 Ų8536.1 Ų36.146%0.45518%0.178SC..Hα-helixtrans-64.2-42178.5-60.6-21.8000111.2W26 C169 L175W26-D171 HydrophobicContact CH2-CB 4.22Å; W26-D171 WeakPolarHBondContact CH2-OD1 3.36Å; W26-D171 WeakPolarHBondContact CZ3-OD1 3.45Å; C169-D171 PolarHBondContact O-N 3.45Å; D171-L175 WeakPolarHBondContact O-CB 3.23Å; D171-L175 VanDerWaalsContact O-CD1 3.29Å; D171-L175 WeakPolarHBondContact O-CD1 3.27Å; D171-L175 WeakPolarHBondContact O-CG 3.36Å; D171-L175 PolarHBondContact O-N 3.46Å; D171-L175 VanDerWaalsContact O-N 3.1Å
172E86.8Confident92Very high99 Ų9935.5 Ų35.546%0.46318%0.176SC..Hα-helixtrans-72-39.7179-65.9179.3-175.700112.1C169 R176C169-E172 HydrophobicContact CB-CB 4.41Å; C169-E172 HydrophobicContact CB-CG 4.16Å; C169-E172 PolarHBondContact O-N 3.36Å; C169-E172 VanDerWaalsContact O-N 3.09Å; E172-R176 PolarHBondContact O-N 2.85Å; E172-R176 VanDerWaalsContact O-N 3.14Å; E172-R176 PolarHBondContact O-NE 2.98Å; E172-R176 IonicContact OE2-NH2 3.95Å
173I93.2Very high91.5Very high0 Ų037 Ų370%018%0.179CC..Hα-helixtrans-61.4-50.1174.2-67.3168.7000109.7I23 F114 I164 N165 E168 C169 L170 L175 R176 V177I23-I173 HydrophobicContact CD1-CB 4.08Å; I23-I173 HydrophobicContact CD1-CG2 3.71Å; I23-I173 HydrophobicContact CG1-CG2 3.75Å; F114-I173 HydrophobicContact CE1-CG2 3.82Å; F114-I173 HydrophobicContact CZ-CG2 4.31Å; I164-I173 HydrophobicContact CG2-CB 4.36Å; I164-I173 HydrophobicContact CG2-CD1 4.42Å; I164-I173 HydrophobicContact CG2-CG1 4.14Å; I164-I173 HydrophobicContact CG2-CG2 3.41Å; I164-I173 VanDerWaalsContact CG2-CG2 3.41Å; N165-I173 WeakPolarHBondContact O-CD1 3.39Å; E168-I173 HydrophobicContact CB-CD1 4.17Å; E168-I173 HydrophobicContact CB-CG1 4.14Å; C169-I173 WeakPolarHBondContact O-CG1 3.37Å; C169-I173 PolarHBondContact O-N 3.44Å; L170-I173 PolarHBondContact O-N 3.27Å; I173-L175 VanDerWaalsContact C-N 3.31Å; I173-L175 PolarHBondContact O-N 3.05Å; I173-R176 PolarHBondContact O-N 2.91Å; I173-V177 HydrophobicContact CG2-CG2 4.33Å; I173-V177 WeakPolarHBondContact O-CG2 3.43Å; I173-V177 PolarHBondContact O-N 2.95Å
174F92.6Very high91.1Very high6 Ų637.3 Ų37.33%0.02619%0.187CC..Hα-helixtrans-56-48.4-178.9165.1-103.4000111I23 W26 L27 F30 L170 R176 V177 A178I23-F174 HydrophobicContact CD1-CB 3.78Å; W26-F174 HydrophobicContact CB-CD2 3.81Å; W26-F174 HydrophobicContact CB-CE2 3.98Å; W26-F174 AromaticContact CD1-CD2 3.96Å; W26-F174 AromaticContact CD1-CE2 3.53Å; W26-F174 AromaticContact CD1-CZ 3.72Å; W26-F174 HydrophobicContact CD2-CB 4Å; W26-F174 AromaticContact CD2-CD1 3.83Å; W26-F174 HydrophobicContact CD2-CD1 3.83Å; W26-F174 AromaticContact CD2-CD2 3.47Å; W26-F174 HydrophobicContact CD2-CD2 3.47Å; W26-F174 VanDerWaalsContact CD2-CD2 3.47Å; W26-F174 HydrophobicContact CD2-CE1 4.21Å; W26-F174 AromaticContact CD2-CE2 3.86Å; W26-F174 HydrophobicContact CD2-CE2 3.86Å; W26-F174 AromaticContact CD2-CG 3.45Å; W26-F174 HydrophobicContact CD2-CG 3.45Å; W26-F174 VanDerWaalsContact CD2-CG 3.45Å; W26-F174 HydrophobicContact CD2-CZ 4.22Å; W26-F174 AromaticContact CE2-CD1 3.54Å; W26-F174 AromaticContact CE2-CD2 3.97Å; W26-F174 AromaticContact CE2-CE1 3.66Å; W26-F174 AromaticContact CE2-CG 3.71Å; W26-F174 AromaticContact CE2-CZ 3.91Å; W26-F174 HydrophobicContact CE3-CB 3.48Å; W26-F174 VanDerWaalsContact CE3-CB 3.48Å; W26-F174 HydrophobicContact CE3-CD1 4.07Å; W26-F174 AromaticContact CE3-CD2 3.83Å; W26-F174 HydrophobicContact CE3-CD2 3.83Å; W26-F174 AromaticContact CE3-CG 3.5Å; W26-F174 HydrophobicContact CE3-CG 3.5Å; W26-F174 VanDerWaalsContact CE3-CG 3.5Å; W26-F174 HydrophobicContact CG-CD1 4.5Å; W26-F174 AromaticContact CG-CD2 3.48Å; W26-F174 HydrophobicContact CG-CD2 3.48Å; W26-F174 VanDerWaalsContact CG-CD2 3.48Å; W26-F174 AromaticContact CG-CE2 3.52Å; W26-F174 HydrophobicContact CG-CE2 3.52Å; W26-F174 HydrophobicContact CG-CG 4Å; W26-F174 HydrophobicContact CG-CZ 4.1Å; W26-F174 HydrophobicContact CH2-CB 4.05Å; W26-F174 AromaticContact CH2-CD1 3.76Å; W26-F174 HydrophobicContact CH2-CD1 3.76Å; W26-F174 AromaticContact CH2-CG 4Å; W26-F174 HydrophobicContact CH2-CG 4Å; W26-F174 AromaticContact CZ2-CD1 3.52Å; W26-F174 HydrophobicContact CZ2-CD1 3.52Å; W26-F174 AromaticContact CZ2-CE1 3.86Å; W26-F174 HydrophobicContact CZ2-CE1 3.86Å; W26-F174 AromaticContact CZ2-CG 3.99Å; W26-F174 HydrophobicContact CZ2-CG 3.99Å; W26-F174 HydrophobicContact CZ3-CB 3.51Å; W26-F174 HydrophobicContact CZ3-CD1 4.04Å; W26-F174 AromaticContact CZ3-CG 3.77Å; W26-F174 HydrophobicContact CZ3-CG 3.77Å; W26-F174 AromaticContact NE1-CE1 3.71Å; W26-F174 AromaticContact NE1-CE2 3.84Å; W26-F174 AromaticContact NE1-CZ 3.58Å; L27-F174 HydrophobicContact CB-CE2 4.47Å; F30-F174 HydrophobicContact CB-CE2 3.98Å; F30-F174 HydrophobicContact CB-CZ 3.58Å; F30-F174 HydrophobicContact CD1-CE2 4.32Å; F30-F174 AromaticContact CD1-CZ 3.82Å; F30-F174 HydrophobicContact CD1-CZ 3.82Å; F30-F174 AromaticContact CD2-CZ 3.95Å; F30-F174 HydrophobicContact CD2-CZ 3.95Å; F30-F174 HydrophobicContact CE1-CZ 4.38Å; F30-F174 HydrophobicContact CG-CE2 4.25Å; F30-F174 AromaticContact CG-CZ 3.53Å; F30-F174 HydrophobicContact CG-CZ 3.53Å; L170-F174 WeakPolarHBondContact O-CB 3.33Å; L170-F174 PolarHBondContact O-N 3.21Å; F174-R176 PolarHBondContact O-N 3.39Å; F174-V177 PolarHBondContact O-N 3.43Å; F174-A178 HydrophobicContact CE1-CB 4.49Å; F174-A178 HydrophobicContact CE2-CB 4.3Å; F174-A178 HydrophobicContact CZ-CB 4.19Å; F174-A178 WeakPolarHBondContact O-CB 3.23Å; F174-A178 PolarHBondContact O-N 2.72Å
175L84.8Confident90.4Very high27 Ų2739.4 Ų39.414%0.14120%0.197CC..Hα-helixtrans-66.6-36.1-177.6-69.8161.8000112.5D171 I173 S179 N198 L201D171-L175 WeakPolarHBondContact O-CB 3.23Å; D171-L175 VanDerWaalsContact O-CD1 3.29Å; D171-L175 WeakPolarHBondContact O-CD1 3.27Å; D171-L175 WeakPolarHBondContact O-CG 3.36Å; D171-L175 PolarHBondContact O-N 3.46Å; D171-L175 VanDerWaalsContact O-N 3.1Å; I173-L175 VanDerWaalsContact C-N 3.31Å; I173-L175 PolarHBondContact O-N 3.05Å; L175-S179 WeakPolarHBondContact O-CB 3.23Å; L175-S179 PolarHBondContact O-N 3.47Å; L175-N198 HydrophobicContact CD1-CB 4.4Å; L175-L201 HydrophobicContact CB-CD1 3.09Å; L175-L201 HydrophobicContact CB-CD2 3.66Å; L175-L201 HydrophobicContact CB-CG 3.93Å; L175-L201 HydrophobicContact CD1-CD1 3.18Å; L175-L201 HydrophobicContact CD2-CD1 4.22Å; L175-L201 HydrophobicContact CG-CD1 3.59Å
176R89.1Confident89.7Confident72 Ų7239.9 Ų39.927%0.27220%0.2SC..Hα-helixtrans-61.8-52.1173.4-83.7178.7-91.6170.7-8.2111.7E168 E172 I173 F174 A178 S179 S180 L201E168-R176 IonicContact OE1-NH1 3.16Å; E168-R176 IonicContact OE2-CZ 2.73Å; E168-R176 IonicContact OE2-NH1 3.98Å; E168-R176 PolarHBondContact OE2-NH1 3.34Å; E168-R176 IonicContact OE2-NH2 3.3Å; E168-R176 PolarHBondContact OE2-NH2 2.96Å; E172-R176 PolarHBondContact O-N 2.85Å; E172-R176 VanDerWaalsContact O-N 3.14Å; E172-R176 PolarHBondContact O-NE 2.98Å; E172-R176 IonicContact OE2-NH2 3.95Å; I173-R176 PolarHBondContact O-N 2.91Å; F174-R176 PolarHBondContact O-N 3.39Å; R176-A178 PolarHBondContact O-N 3.21Å; R176-S179 PolarHBondContact O-N 2.94Å; R176-S180 PolarHBondContact O-N 3.36Å; R176-L201 HydrophobicContact CG-CD2 4.07Å
177V94.6Very high89.4Confident0 Ų041.4 Ų41.40%021%0.211CC..Hα-helixtrans-60.7-47.3178.4175.30000110.9L12 I23 L27 F112 F114 I164 I173 F174 S179 S180 V181L12-V177 HydrophobicContact CD2-CG1 4.37Å; I23-V177 HydrophobicContact CG2-CB 4.17Å; I23-V177 HydrophobicContact CG2-CG1 4.13Å; I23-V177 HydrophobicContact CG2-CG2 4.17Å; L27-V177 HydrophobicContact CD2-CG1 3.94Å; F112-V177 HydrophobicContact CD1-CG1 4.39Å; F112-V177 HydrophobicContact CD1-CG2 3.91Å; F112-V177 HydrophobicContact CD2-CG1 4.22Å; F112-V177 HydrophobicContact CE1-CB 4.14Å; F112-V177 HydrophobicContact CE1-CG1 4.06Å; F112-V177 HydrophobicContact CE1-CG2 3.93Å; F112-V177 HydrophobicContact CE2-CG1 3.9Å; F112-V177 HydrophobicContact CG-CG1 4.45Å; F112-V177 HydrophobicContact CG-CG2 4.44Å; F112-V177 HydrophobicContact CZ-CB 4.31Å; F112-V177 HydrophobicContact CZ-CG1 3.81Å; F114-V177 HydrophobicContact CZ-CG2 4.21Å; I164-V177 HydrophobicContact CD1-CG2 3.82Å; I164-V177 HydrophobicContact CG1-CG2 4.09Å; I173-V177 HydrophobicContact CG2-CG2 4.33Å; I173-V177 WeakPolarHBondContact O-CG2 3.43Å; I173-V177 PolarHBondContact O-N 2.95Å; F174-V177 PolarHBondContact O-N 3.43Å; V177-S179 PolarHBondContact O-N 3.2Å; V177-S180 PolarHBondContact O-N 2.93Å; V177-V181 WeakPolarHBondContact O-CG2 3.45Å; V177-V181 PolarHBondContact O-N 2.81Å
178A90.8Very high89.2Confident0 Ų040.1 Ų40.10%020%0.204CC..Hα-helixtrans-59.4-45178.300000112.3L27 F30 F174 R176 S180 V181 I182L27-A178 HydrophobicContact CD1-CB 3.94Å; F30-A178 HydrophobicContact CD1-CB 4.16Å; F30-A178 HydrophobicContact CE1-CB 3.67Å; F30-A178 HydrophobicContact CZ-CB 4.33Å; F174-A178 HydrophobicContact CE1-CB 4.49Å; F174-A178 HydrophobicContact CE2-CB 4.3Å; F174-A178 HydrophobicContact CZ-CB 4.19Å; F174-A178 WeakPolarHBondContact O-CB 3.23Å; F174-A178 PolarHBondContact O-N 2.72Å; R176-A178 PolarHBondContact O-N 3.21Å; A178-S180 VanDerWaalsContact C-N 3.33Å; A178-S180 PolarHBondContact O-N 3.26Å; A178-V181 PolarHBondContact O-N 3.41Å; A178-I182 WeakPolarHBondContact O-CB 3.4Å; A178-I182 VanDerWaalsContact O-CG1 3.27Å; A178-I182 WeakPolarHBondContact O-CG1 3.19Å; A178-I182 PolarHBondContact O-N 2.68Å
179S85.7Confident89.1Confident2 Ų237.2 Ų37.21%0.01419%0.19CC..Hα-helixtrans-60.5-46177.8-174.50000110.9L175 R176 V177 I182 R183 Y205L175-S179 WeakPolarHBondContact O-CB 3.23Å; L175-S179 PolarHBondContact O-N 3.47Å; R176-S179 PolarHBondContact O-N 2.94Å; V177-S179 PolarHBondContact O-N 3.2Å; S179-I182 PolarHBondContact O-N 3.4Å; S179-R183 WeakPolarHBondContact O-CG 3.36Å; S179-R183 PolarHBondContact O-N 2.82Å; S179-R183 PolarHBondContact OG-NH1 3.13Å; S179-Y205 WeakPolarHBondContact OG-CD2 3.05Å
180S90.9Very high89.1Confident10 Ų1034.7 Ų34.77%0.0717%0.172CC..Hα-helixtrans-64.9-43-179.5-167.70000113Q110 E162 R176 V177 A178Q110-S180 PolarHBondContact NE2-OG 3.46Å; E162-S180 WeakPolarHBondContact OE2-CB 3.41Å; E162-S180 PolarHBondContact OE2-OG 3.07Å; R176-S180 PolarHBondContact O-N 3.36Å; V177-S180 PolarHBondContact O-N 2.93Å; A178-S180 VanDerWaalsContact C-N 3.33Å; A178-S180 PolarHBondContact O-N 3.26Å
181V93Very high89Confident0 Ų032.3 Ų32.30%016%0.16CC..Hα-helixtrans-65.6-43.5174.6174.70000112.2L8 V10 L27 L31 V90 F112 V177 A178 R183 L184L8-V181 HydrophobicContact CD2-CG1 4.16Å; V10-V181 HydrophobicContact CG1-CG2 3.87Å; V10-V181 HydrophobicContact CG2-CG1 4.21Å; V10-V181 HydrophobicContact CG2-CG2 4.06Å; L27-V181 HydrophobicContact CD2-CG2 4.18Å; L31-V181 HydrophobicContact CD1-CG1 4.04Å; V90-V181 HydrophobicContact CG1-CG1 4.33Å; F112-V181 HydrophobicContact CE2-CG2 3.72Å; F112-V181 HydrophobicContact CZ-CG2 3.94Å; V177-V181 WeakPolarHBondContact O-CG2 3.45Å; V177-V181 PolarHBondContact O-N 2.81Å; A178-V181 PolarHBondContact O-N 3.41Å; V181-R183 VanDerWaalsContact C-N 3.33Å; V181-R183 PolarHBondContact O-N 3.37Å; V181-L184 PolarHBondContact O-N 2.95Å
182I87.7Confident89.2Confident2 Ų229.4 Ų29.41%0.0114%0.144CC..Hα-helixtrans-64.4-39-179-67.5176.4000111.1F30 L31 A178 S179 L184 I185 D186 W189 Y205F30-I182 HydrophobicContact CE1-CD1 3.37Å; F30-I182 HydrophobicContact CE1-CG1 4.32Å; F30-I182 HydrophobicContact CZ-CD1 3.62Å; L31-I182 HydrophobicContact CD2-CD1 4.22Å; L31-I182 HydrophobicContact CD2-CG1 3.76Å; A178-I182 WeakPolarHBondContact O-CB 3.4Å; A178-I182 VanDerWaalsContact O-CG1 3.27Å; A178-I182 WeakPolarHBondContact O-CG1 3.19Å; A178-I182 PolarHBondContact O-N 2.68Å; S179-I182 PolarHBondContact O-N 3.4Å; I182-L184 PolarHBondContact O-N 3.06Å; I182-I185 HydrophobicContact CG1-CD1 4.4Å; I182-I185 WeakPolarHBondContact O-CG1 3.46Å; I182-I185 PolarHBondContact O-N 3.19Å; I182-D186 PolarHBondContact O-N 3.3Å; I182-D186 VanDerWaalsContact O-O 3.13Å; I182-W189 VanDerWaalsContact CD1-CD1 3.43Å; I182-W189 HydrophobicContact CD1-CD2 4.16Å; I182-W189 HydrophobicContact CD1-CG 3.92Å; I182-W189 HydrophobicContact CG2-CB 4.04Å; I182-W189 HydrophobicContact CG2-CG 4.23Å; I182-Y205 HydrophobicContact CB-CE2 3.81Å; I182-Y205 HydrophobicContact CG2-CE2 3.54Å; I182-Y205 VanDerWaalsContact CG2-OH 3.3Å; I182-Y205 WeakPolarHBondContact CG2-OH 3.5Å
183R86.1Confident89.2Confident80 Ų8025.8 Ų25.830%0.30213%0.128SC..Hα-helixtrans-57.1-26.3179.1-78.9-175-64.3-113.80.4113.3S179 V181 D204 Y205S179-R183 WeakPolarHBondContact O-CG 3.36Å; S179-R183 PolarHBondContact O-N 2.82Å; S179-R183 PolarHBondContact OG-NH1 3.13Å; V181-R183 VanDerWaalsContact C-N 3.33Å; V181-R183 PolarHBondContact O-N 3.37Å; R183-D204 PolarHBondContact NH1-O 3Å; R183-Y205 HydrophobicContact CB-CE2 4.28Å; R183-Y205 HydrophobicContact CG-CD2 3.51Å; R183-Y205 HydrophobicContact CG-CE2 3.44Å; R183-Y205 VanDerWaalsContact CG-CE2 3.44Å; R183-Y205 HydrophobicContact CG-CG 4.21Å
184L88.7Confident88.8Confident92 Ų9229 Ų2948%0.48214%0.143SC..Hα-helixtrans-84.5-17.3180-62.5174.3000113.8L8 Q110 V181 I182L8-L184 HydrophobicContact CD1-CB 4.08Å; L8-L184 HydrophobicContact CD1-CD1 4.1Å; L8-L184 HydrophobicContact CD2-CB 3.75Å; L8-L184 HydrophobicContact CD2-CD1 4.15Å; Q110-L184 HydrophobicContact CB-CD1 3.76Å; Q110-L184 HydrophobicContact CG-CD1 4.08Å; V181-L184 PolarHBondContact O-N 2.95Å; I182-L184 PolarHBondContact O-N 3.06Å
185I85Confident88.3Confident45 Ų4531.1 Ų31.123%0.23115%0.154CC..Hα-helixtrans-113.7-28.6-17458.1179.7000114.1L8 L31 I36 V90 I182L8-I185 HydrophobicContact CB-CG2 4.05Å; L8-I185 HydrophobicContact CD2-CG2 3.46Å; L8-I185 VanDerWaalsContact CD2-CG2 3.46Å; L8-I185 HydrophobicContact CG-CG2 4.35Å; L31-I185 HydrophobicContact CD2-CD1 4.43Å; I36-I185 HydrophobicContact CD1-CD1 3.38Å; I36-I185 HydrophobicContact CG1-CD1 4.03Å; I36-I185 HydrophobicContact CG2-CD1 3.99Å; V90-I185 HydrophobicContact CG2-CD1 4.1Å; V90-I185 HydrophobicContact CG2-CG2 3.8Å; I182-I185 HydrophobicContact CG1-CD1 4.4Å; I182-I185 WeakPolarHBondContact O-CG1 3.46Å; I182-I185 PolarHBondContact O-N 3.19Å
186D81.6Confident88.4Confident66 Ų6635.9 Ų35.935%0.35317%0.174SC..  trans-149143.5-175-160.7-20.8000109.2I182 N188 Y205I182-D186 PolarHBondContact O-N 3.3Å; I182-D186 VanDerWaalsContact O-O 3.13Å; D186-N188 WeakPolarHBondContact CB-O 3.25Å; D186-N188 WeakPolarHBondContact OD1-CB 3.49Å; D186-N188 PolarHBondContact OD1-N 2.76Å; D186-N188 PolarHBondContact OD1-ND2 2.81Å; D186-Y205 PolarHBondContact O-OH 3.21Å
187S90Very high88.3Confident33 Ų3332.9 Ų32.923%0.23116%0.163CC..SBendtrans-82.90.4166.8-74.60000111.7R254 D261 K262 I263S187-R254 PolarHBondContact O-NH2 3.15Å; S187-D261 WeakPolarHBondContact CB-O 3.3Å; S187-K262 WeakPolarHBondContact O-CA 3.48Å; S187-K262 PolarHBondContact OG-NZ 3.07Å; S187-I263 PolarHBondContact O-N 3.04Å
188N92.1Very high87.8Confident28 Ų2835.8 Ų35.815%0.1518%0.179CC..EExtended strand (participates in β ladder)trans-114.6130.2174.7-45.8-70.8000111.1D186 R254 I263D186-N188 WeakPolarHBondContact CB-O 3.25Å; D186-N188 WeakPolarHBondContact OD1-CB 3.49Å; D186-N188 PolarHBondContact OD1-N 2.76Å; D186-N188 PolarHBondContact OD1-ND2 2.81Å; N188-R254 PolarHBondContact OD1-NE 2.99Å; N188-R254 PolarHBondContact OD1-NH2 2.83Å; N188-I263 CarbonylContact C-O 3.57Å; N188-I263 VanDerWaalsContact CA-O 3.23Å; N188-I263 WeakPolarHBondContact CA-O 3.45Å
189W90.3Very high87.8Confident4 Ų438.9 Ų38.92%0.01520%0.195CC..EExtended strand (participates in β ladder)trans-115.5103.9168.3-178.110.6000110.1F30 I182 M191 Y205 I263 V264 I265F30-W189 AromaticContact CE2-NE1 3.98Å; F30-W189 AromaticContact CZ-CE2 3.85Å; F30-W189 AromaticContact CZ-CZ2 3.88Å; F30-W189 HydrophobicContact CZ-CZ2 3.88Å; F30-W189 AromaticContact CZ-NE1 3.29Å; F30-W189 VanDerWaalsContact CZ-NE1 3.29Å; I182-W189 VanDerWaalsContact CD1-CD1 3.43Å; I182-W189 HydrophobicContact CD1-CD2 4.16Å; I182-W189 HydrophobicContact CD1-CG 3.92Å; I182-W189 HydrophobicContact CG2-CB 4.04Å; I182-W189 HydrophobicContact CG2-CG 4.23Å; W189-M191 HydrophobicContact CZ2-SD 4.4Å; W189-Y205 HydrophobicContact CB-CD1 4.29Å; W189-Y205 HydrophobicContact CB-CD2 4.41Å; W189-Y205 HydrophobicContact CB-CE1 3.83Å; W189-Y205 HydrophobicContact CB-CE2 3.97Å; W189-Y205 HydrophobicContact CD2-CD2 4.21Å; W189-Y205 HydrophobicContact CD2-CE2 4.43Å; W189-Y205 HydrophobicContact CE3-CD1 4.21Å; W189-Y205 AromaticContact CE3-CD2 3.44Å; W189-Y205 HydrophobicContact CE3-CD2 3.44Å; W189-Y205 VanDerWaalsContact CE3-CD2 3.44Å; W189-Y205 HydrophobicContact CE3-CE2 4.08Å; W189-Y205 AromaticContact CE3-CG 3.51Å; W189-Y205 HydrophobicContact CE3-CG 3.51Å; W189-Y205 HydrophobicContact CG-CE2 4.44Å; W189-Y205 HydrophobicContact CZ3-CD2 4.02Å; W189-Y205 HydrophobicContact CZ3-CG 4.12Å; W189-I263 PolarHBondContact N-O 2.87Å; W189-V264 HydrophobicContact CB-CG1 4.27Å; W189-V264 HydrophobicContact CB-CG2 4.08Å; W189-V264 HydrophobicContact CD2-CG1 4.36Å; W189-V264 HydrophobicContact CE3-CG1 4.24Å; W189-V264 HydrophobicContact CE3-CG2 4.29Å; W189-V264 HydrophobicContact CG-CG1 4.4Å; W189-V264 CarbonylContact O-C 3.56Å; W189-V264 VanDerWaalsContact O-CA 3.28Å; W189-V264 WeakPolarHBondContact O-CA 3.46Å; W189-I265 PolarHBondContact O-N 3.28Å
190I91.6Very high87.9Confident12 Ų1244 Ų446%0.06222%0.218CC..EExtended strand (participates in β ladder)trans-106123.7176-58.3166.6000108.9C34 M243 L246 R247 I265C34-I190 PolarHBondContact SG-O 3.23Å; I190-M243 HydrophobicContact CB-CE 4.11Å; I190-M243 HydrophobicContact CG2-CE 3.79Å; I190-M243 HydrophobicContact CG2-SD 3.71Å; I190-L246 HydrophobicContact CD1-CB 4.03Å; I190-L246 HydrophobicContact CG2-CB 3.73Å; I190-L246 HydrophobicContact CG2-CD1 3.66Å; I190-L246 HydrophobicContact CG2-CG 4.29Å; I190-R247 HydrophobicContact CD1-CB 4.19Å; I190-R247 HydrophobicContact CD1-CG 3.51Å; I190-I265 CarbonylContact C-O 3.57Å; I190-I265 WeakPolarHBondContact CA-O 3.49Å
191M88.6Confident87.4Confident16 Ų1644.2 Ų44.28%0.07922%0.218CC..EExtended strand (participates in β ladder)trans-132.2123.9-178179.1172.662.600111.4F30 W189 T193 L197 I265 A266 H267F30-M191 HydrophobicContact CE2-CB 4.47Å; F30-M191 HydrophobicContact CE2-CG 3.97Å; F30-M191 HydrophobicContact CE2-SD 3.71Å; F30-M191 HydrophobicContact CZ-SD 4.42Å; W189-M191 HydrophobicContact CZ2-SD 4.4Å; M191-T193 HydrophobicContact CE-CG2 3.97Å; M191-T193 HydrophobicContact CG-CG2 4.15Å; M191-T193 HydrophobicContact SD-CG2 4.09Å; M191-L197 HydrophobicContact CE-CD2 4.26Å; M191-I265 PolarHBondContact N-O 2.91Å; M191-A266 HydrophobicContact CB-CB 4.39Å; M191-A266 HydrophobicContact CE-CB 3.72Å; M191-A266 CarbonylContact O-C 3.26Å; M191-A266 WeakPolarHBondContact O-CA 3.44Å; M191-H267 PolarHBondContact O-N 2.84Å
192L90.5Very high87.2Confident23 Ų2344.4 Ų44.412%0.1222%0.219CC..EExtended strand (participates in β ladder)trans-106.3111.7162.1-62-177.2000107.8E239 A242 M243 L246 H267 L269 I318L192-E239 HydrophobicContact CD1-CB 4.34Å; L192-E239 HydrophobicContact CD1-CG 4.46Å; L192-A242 HydrophobicContact CD1-CB 3.83Å; L192-M243 HydrophobicContact CD1-CG 3.93Å; L192-M243 HydrophobicContact CD1-SD 3.92Å; L192-M243 HydrophobicContact CG-CG 4.45Å; L192-M243 HydrophobicContact CG-SD 3.78Å; L192-L246 HydrophobicContact CD2-CD1 3.95Å; L192-L246 HydrophobicContact CG-CD1 4.43Å; L192-H267 HydrophobicContact CD2-CB 3.76Å; L192-L269 HydrophobicContact CB-CD1 3.92Å; L192-L269 HydrophobicContact CB-CG 4.4Å; L192-L269 HydrophobicContact CD1-CD1 4.43Å; L192-I318 HydrophobicContact CD2-CD1 3.97Å
193T85.9Confident87.4Confident23 Ų2345.6 Ų45.614%0.14123%0.227CC..EExtended strand (participates in β ladder)trans-127.5153.7-174-1780000111.7M191 D195 L197 H267 R268 L269M191-T193 HydrophobicContact CE-CG2 3.97Å; M191-T193 HydrophobicContact CG-CG2 4.15Å; M191-T193 HydrophobicContact SD-CG2 4.09Å; T193-D195 PolarHBondContact OG1-N 3.36Å; T193-D195 VanDerWaalsContact OG1-N 3.09Å; T193-L197 HydrophobicContact CG2-CD2 3.56Å; T193-H267 PolarHBondContact N-O 2.76Å; T193-R268 CarbonylContact O-C 3.56Å; T193-R268 WeakPolarHBondContact O-CA 3.27Å; T193-L269 PolarHBondContact O-N 2.93Å
194K85Confident87.3Confident68 Ų6844.6 Ų44.630%0.29623%0.228SC..SBendtrans-94.1-5.3172.1-73.6149.4-175141.20112.2E239 L269 R271K194-E239 IonicContact NZ-OE1 2.96Å; K194-E239 PolarHBondContact NZ-OE1 3.4Å; K194-E239 VanDerWaalsContact NZ-OE1 3.11Å; K194-L269 HydrophobicContact CG-CB 4.42Å; K194-R271 HydrophobicContact CB-CG 3.78Å; K194-R271 HydrophobicContact CD-CG 4.13Å; K194-R271 HydrophobicContact CG-CG 3.96Å
195D82.4Confident87.3Confident50 Ų5040.3 Ų40.327%0.26721%0.205SC..SBendtrans-97.9173.7-175.8-53.1-47.8000111.1T193 R268 R271T193-D195 PolarHBondContact OG1-N 3.36Å; T193-D195 VanDerWaalsContact OG1-N 3.09Å; D195-R268 VanDerWaalsContact O-CD 3.3Å; D195-R268 WeakPolarHBondContact O-CD 3.45Å; D195-R268 WeakPolarHBondContact O-CG 3.37Å; D195-R268 PolarHBondContact O-NE 2.8Å; D195-R271 IonicContact OD1-NH2 3.54Å; D195-R271 PolarHBondContact OD1-NH2 3.42Å
196K86Confident87.6Confident127 Ų12738.1 Ų38.155%0.55219%0.194SC*.PPolyproline II helixtrans-66.7143.2179.4-73.7-173174.1-175.10110.5Y279 E286K196-Y279 HydrophobicContact CG-CE1 4.27Å; K196-E286 WeakPolarHBondContact CE-OE1 3.43Å; K196-E286 IonicContact NZ-OE1 3.61Å
197L87.2Confident88.1Confident10 Ų1040.4 Ų40.45%0.05220%0.202CC..PPolyproline II helixtrans-79.1146.8173.2-53.1-178000109.7M191 T193 A266 R268 M287 I290M191-L197 HydrophobicContact CE-CD2 4.26Å; T193-L197 HydrophobicContact CG2-CD2 3.56Å; L197-A266 HydrophobicContact CD2-CB 4.12Å; L197-R268 HydrophobicContact CD1-CB 4.18Å; L197-R268 HydrophobicContact CD2-CB 4.13Å; L197-R268 HydrophobicContact CG-CB 4Å; L197-M287 HydrophobicContact CB-CE 4.45Å; L197-M287 HydrophobicContact CD1-CB 4.45Å; L197-M287 WeakPolarHBondContact O-CE 3.39Å; L197-I290 HydrophobicContact CB-CD1 3.58Å; L197-I290 HydrophobicContact CB-CG1 4.12Å; L197-I290 HydrophobicContact CD1-CD1 4.27Å; L197-I290 HydrophobicContact CD1-CG1 3.85Å
198N84.7Confident88Confident61 Ų6141.7 Ų41.733%0.32621%0.207SC..  trans-121.9119.8177.4-174.1-47.6000109.6L175 Q200 L201 V202L175-N198 HydrophobicContact CD1-CB 4.4Å; N198-Q200 PolarHBondContact OD1-N 2.96Å; N198-L201 HydrophobicContact CB-CB 4.32Å; N198-L201 HydrophobicContact CB-CD1 3.64Å; N198-L201 HydrophobicContact CB-CG 4.42Å; N198-L201 VanDerWaalsContact CG-CD1 3.46Å; N198-L201 PolarHBondContact OD1-N 2.91Å; N198-V202 WeakPolarHBondContact O-CG2 3.45Å; N198-V202 PolarHBondContact O-N 2.81Å
199I91.9Very high88Confident65 Ų6549 Ų4933%0.33324%0.237SC..Hα-helixtrans-67.5-46.2-178.2-68.1168.7000111.1L201 V202 V203 L216 V218 M287 I290I199-L201 VanDerWaalsContact C-N 3.3Å; I199-L201 PolarHBondContact O-N 2.73Å; I199-V202 WeakPolarHBondContact O-CB 3.48Å; I199-V202 PolarHBondContact O-N 3.46Å; I199-V202 VanDerWaalsContact O-N 3.1Å; I199-V203 HydrophobicContact CG2-CG2 4.09Å; I199-V203 WeakPolarHBondContact O-CG2 3.25Å; I199-V203 PolarHBondContact O-N 3.48Å; I199-L216 HydrophobicContact CG2-CD2 3.66Å; I199-V218 HydrophobicContact CD1-CG2 4.16Å; I199-V218 HydrophobicContact CG1-CG2 4.34Å; I199-M287 HydrophobicContact CD1-CE 4.41Å; I199-M287 HydrophobicContact CD1-SD 3.63Å; I199-M287 HydrophobicContact CG1-CE 4.27Å; I199-M287 HydrophobicContact CG1-SD 3.67Å; I199-I290 HydrophobicContact CG1-CD1 3.86Å
200Q86.4Confident88.2Confident110 Ų11056 Ų5651%0.51427%0.268SS..Hα-helixtrans-59.5-44.8-173.5-171.459.549.700110.8N198 V202 V203 D204N198-Q200 PolarHBondContact OD1-N 2.96Å; Q200-V202 VanDerWaalsContact C-N 3.31Å; Q200-V202 PolarHBondContact O-N 3.48Å; Q200-V203 CarbonylContact O-C 3.51Å; Q200-V203 WeakPolarHBondContact O-CA 3.23Å; Q200-V203 WeakPolarHBondContact O-CB 3.3Å; Q200-V203 PolarHBondContact O-N 3.27Å; Q200-V203 VanDerWaalsContact O-N 3.08Å; Q200-D204 PolarHBondContact NE2-OD1 3.01Å; Q200-D204 WeakPolarHBondContact O-CB 3.46Å; Q200-D204 PolarHBondContact O-N 3.03Å
201L81Confident88.4Confident13 Ų1356.5 Ų56.57%0.06827%0.271CS..Hα-helixtrans-63.4-35.9178.3-76.2156.4000113.7L175 R176 N198 I199 Y205L175-L201 HydrophobicContact CB-CD1 3.09Å; L175-L201 HydrophobicContact CB-CD2 3.66Å; L175-L201 HydrophobicContact CB-CG 3.93Å; L175-L201 HydrophobicContact CD1-CD1 3.18Å; L175-L201 HydrophobicContact CD2-CD1 4.22Å; L175-L201 HydrophobicContact CG-CD1 3.59Å; R176-L201 HydrophobicContact CG-CD2 4.07Å; N198-L201 HydrophobicContact CB-CB 4.32Å; N198-L201 HydrophobicContact CB-CD1 3.64Å; N198-L201 HydrophobicContact CB-CG 4.42Å; N198-L201 VanDerWaalsContact CG-CD1 3.46Å; N198-L201 PolarHBondContact OD1-N 2.91Å; I199-L201 VanDerWaalsContact C-N 3.3Å; I199-L201 PolarHBondContact O-N 2.73Å; L201-Y205 WeakPolarHBondContact O-CB 3.44Å; L201-Y205 PolarHBondContact O-N 3.06Å; L201-Y205 VanDerWaalsContact O-N 3.12Å
202V88.5Confident88.8Confident4 Ų459.2 Ų59.22%0.02430%0.302CS..Hα-helixtrans-68.2-39.5174.6169.70000110.6N198 I199 Q200 Y205 V206 L216 V264 I290 A292N198-V202 WeakPolarHBondContact O-CG2 3.45Å; N198-V202 PolarHBondContact O-N 2.81Å; I199-V202 WeakPolarHBondContact O-CB 3.48Å; I199-V202 PolarHBondContact O-N 3.46Å; I199-V202 VanDerWaalsContact O-N 3.1Å; Q200-V202 VanDerWaalsContact C-N 3.31Å; Q200-V202 PolarHBondContact O-N 3.48Å; V202-Y205 PolarHBondContact O-N 3.41Å; V202-V206 PolarHBondContact O-N 2.82Å; V202-L216 HydrophobicContact CG1-CD1 4.25Å; V202-V264 HydrophobicContact CB-CG1 4.4Å; V202-V264 HydrophobicContact CG1-CB 3.85Å; V202-V264 HydrophobicContact CG1-CG1 3.75Å; V202-V264 HydrophobicContact CG1-CG2 4.15Å; V202-V264 HydrophobicContact CG2-CG1 3.98Å; V202-I290 HydrophobicContact CB-CG2 4.28Å; V202-I290 HydrophobicContact CG1-CG2 3.81Å; V202-I290 HydrophobicContact CG2-CD1 4.43Å; V202-I290 HydrophobicContact CG2-CG2 4.25Å; V202-A292 HydrophobicContact CG1-CB 3.28Å
203V91.6Very high89.1Confident27 Ų2758.5 Ų58.516%0.16430%0.3CS..Hα-helixtrans-65.5-48.5175.8172.80000110.8I199 Q200 Y205 V206 Q207I199-V203 HydrophobicContact CG2-CG2 4.09Å; I199-V203 WeakPolarHBondContact O-CG2 3.25Å; I199-V203 PolarHBondContact O-N 3.48Å; Q200-V203 CarbonylContact O-C 3.51Å; Q200-V203 WeakPolarHBondContact O-CA 3.23Å; Q200-V203 WeakPolarHBondContact O-CB 3.3Å; Q200-V203 PolarHBondContact O-N 3.27Å; Q200-V203 VanDerWaalsContact O-N 3.08Å; V203-Y205 PolarHBondContact O-N 3.05Å; V203-Y205 VanDerWaalsContact O-N 3.16Å; V203-V206 WeakPolarHBondContact O-CG2 3.46Å; V203-V206 PolarHBondContact O-N 3.43Å; V203-V206 VanDerWaalsContact O-N 3.13Å; V203-Q207 HydrophobicContact CG1-CG 4.11Å; V203-Q207 WeakPolarHBondContact O-CG 3.48Å; V203-Q207 PolarHBondContact O-N 3.41Å
204D85.4Confident89.7Confident60 Ų6059.9 Ų59.932%0.32131%0.309SS..Hα-helixtrans-60-27178-61.3-19.5000112.3R183 Q200R183-D204 PolarHBondContact NH1-O 3Å; Q200-D204 PolarHBondContact NE2-OD1 3.01Å; Q200-D204 WeakPolarHBondContact O-CB 3.46Å; Q200-D204 PolarHBondContact O-N 3.03Å
205Y86.9Confident90.3Very high1 Ų160 Ų600%0.00431%0.309CS..Hα-helixtrans-73.2-45.4175.3-179.4-85000112.8S179 I182 R183 D186 W189 L201 V202 V203 K262 V264S179-Y205 WeakPolarHBondContact OG-CD2 3.05Å; I182-Y205 HydrophobicContact CB-CE2 3.81Å; I182-Y205 HydrophobicContact CG2-CE2 3.54Å; I182-Y205 VanDerWaalsContact CG2-OH 3.3Å; I182-Y205 WeakPolarHBondContact CG2-OH 3.5Å; R183-Y205 HydrophobicContact CB-CE2 4.28Å; R183-Y205 HydrophobicContact CG-CD2 3.51Å; R183-Y205 HydrophobicContact CG-CE2 3.44Å; R183-Y205 VanDerWaalsContact CG-CE2 3.44Å; R183-Y205 HydrophobicContact CG-CG 4.21Å; D186-Y205 PolarHBondContact O-OH 3.21Å; W189-Y205 HydrophobicContact CB-CD1 4.29Å; W189-Y205 HydrophobicContact CB-CD2 4.41Å; W189-Y205 HydrophobicContact CB-CE1 3.83Å; W189-Y205 HydrophobicContact CB-CE2 3.97Å; W189-Y205 HydrophobicContact CD2-CD2 4.21Å; W189-Y205 HydrophobicContact CD2-CE2 4.43Å; W189-Y205 HydrophobicContact CE3-CD1 4.21Å; W189-Y205 AromaticContact CE3-CD2 3.44Å; W189-Y205 HydrophobicContact CE3-CD2 3.44Å; W189-Y205 VanDerWaalsContact CE3-CD2 3.44Å; W189-Y205 HydrophobicContact CE3-CE2 4.08Å; W189-Y205 AromaticContact CE3-CG 3.51Å; W189-Y205 HydrophobicContact CE3-CG 3.51Å; W189-Y205 HydrophobicContact CG-CE2 4.44Å; W189-Y205 HydrophobicContact CZ3-CD2 4.02Å; W189-Y205 HydrophobicContact CZ3-CG 4.12Å; L201-Y205 WeakPolarHBondContact O-CB 3.44Å; L201-Y205 PolarHBondContact O-N 3.06Å; L201-Y205 VanDerWaalsContact O-N 3.12Å; V202-Y205 PolarHBondContact O-N 3.41Å; V203-Y205 PolarHBondContact O-N 3.05Å; V203-Y205 VanDerWaalsContact O-N 3.16Å; Y205-K262 HydrophobicContact CE1-CB 4.3Å; Y205-K262 HydrophobicContact CE1-CD 4.44Å; Y205-V264 HydrophobicContact CD1-CG2 3.24Å; Y205-V264 HydrophobicContact CE1-CG2 3.81Å; Y205-V264 HydrophobicContact CG-CG2 3.98Å
206V92.1Very high91Very high0 Ų060.9 Ų60.90%031%0.314CS..Hα-helixtrans-84.4-16.8-174.4-61.50000113.4V202 V203 D208 T214 K262 V264 A292 S294V202-V206 PolarHBondContact O-N 2.82Å; V203-V206 WeakPolarHBondContact O-CG2 3.46Å; V203-V206 PolarHBondContact O-N 3.43Å; V203-V206 VanDerWaalsContact O-N 3.13Å; V206-D208 PolarHBondContact O-N 2.96Å; V206-T214 HydrophobicContact CG2-CG2 3.52Å; V206-K262 HydrophobicContact CB-CB 4.07Å; V206-K262 HydrophobicContact CG1-CB 4.01Å; V206-V264 HydrophobicContact CG1-CB 4.3Å; V206-V264 HydrophobicContact CG1-CG2 3.38Å; V206-A292 HydrophobicContact CG1-CB 3.91Å; V206-A292 HydrophobicContact CG2-CB 4.17Å; V206-S294 WeakPolarHBondContact O-CB 3.43Å; V206-S294 PolarHBondContact O-OG 2.98Å
207Q91.2Very high91.6Very high113 Ų11358.6 Ų58.653%0.52830%0.304SS..  trans-66.7126.4176.8-80.1-179-2400111V203V203-Q207 HydrophobicContact CG1-CG 4.11Å; V203-Q207 WeakPolarHBondContact O-CG 3.48Å; V203-Q207 PolarHBondContact O-N 3.41Å
208D89.9Confident92.1Very high60 Ų6060.2 Ų60.232%0.32131%0.314SS..  trans-135.2150.5170.2-167.7-77.2000109.4V206 F210 D211V206-D208 PolarHBondContact O-N 2.96Å; D208-F210 PolarHBondContact O-N 2.69Å; D208-F210 WeakPolarHBondContact OD1-CD2 3.05Å; D208-F210 PolarHBondContact OD1-N 2.81Å; D208-D211 HydrophobicContact CB-CB 4.41Å; D208-D211 PolarHBondContact O-N 3.35Å; D208-D211 VanDerWaalsContact O-N 3.13Å
209K91.7Very high92.7Very high183 Ų18357.8 Ų57.880%0.79630%0.303SS*.THydrogen-bonded Turntrans-64.4-18.6179.266.3-173.4177.4-172.70113.5
210F94.7Very high92.8Very high151 Ų15158.1 Ų58.166%0.66231%0.308SS*.THydrogen-bonded Turntrans-93.4-9.3177.6-58.8-64.4000113.4D208D208-F210 PolarHBondContact O-N 2.69Å; D208-F210 WeakPolarHBondContact OD1-CD2 3.05Å; D208-F210 PolarHBondContact OD1-N 2.81Å
211D95.5Very high93.1Very high22 Ų2253 Ų5312%0.11829%0.285CS..  trans-99.2112.3-178.8-76.4-24.3000111.9D208 A213 D261 S294 S295 P296D208-D211 HydrophobicContact CB-CB 4.41Å; D208-D211 PolarHBondContact O-N 3.35Å; D208-D211 VanDerWaalsContact O-N 3.13Å; D211-A213 VanDerWaalsContact C-N 3.3Å; D211-D261 VanDerWaalsContact OD2-CB 3.32Å; D211-D261 WeakPolarHBondContact OD2-CB 3.31Å; D211-S294 WeakPolarHBondContact OD2-CB 3.42Å; D211-S294 PolarHBondContact OD2-OG 3.1Å; D211-S295 VanDerWaalsContact OD1-CA 3.29Å; D211-S295 WeakPolarHBondContact OD1-CA 3.31Å; D211-P296 WeakPolarHBondContact OD1-CD 3.14Å
212G96.6Very high93.5Very high72 Ų7262.4 Ų62.474%0.74232%0.319SS*.SBendtrans-81.1-7.4174.600000114.2S295 P296G212-S295 PolarHBondContact N-O 2.83Å; G212-P296 PolarHBondContact N-O 3.28Å
213A97.1Very high93.4Very high8 Ų866.2 Ų66.27%0.06634%0.337CS..EExtended strand (participates in β ladder)trans-134.6135-176.800000112.2D211 F215 S294 S295 H297 R298 A301D211-A213 VanDerWaalsContact C-N 3.3Å; A213-F215 HydrophobicContact CB-CD2 4.37Å; A213-F215 HydrophobicContact CB-CE2 4.11Å; A213-S294 VanDerWaalsContact O-CA 3.26Å; A213-S294 WeakPolarHBondContact O-CA 3.16Å; A213-S295 WeakPolarHBondContact CB-O 3.17Å; A213-S295 PolarHBondContact N-O 3.08Å; A213-S295 PolarHBondContact O-N 3.01Å; A213-H297 WeakPolarHBondContact CB-O 3.15Å; A213-R298 HydrophobicContact CB-CB 4.08Å; A213-A301 HydrophobicContact CB-CB 4.47Å
214T97Very high93Very high53 Ų5367.2 Ų67.233%0.32534%0.341SS..EExtended strand (participates in β ladder)trans-133.7122.9168-68.30000107.6V206V206-T214 HydrophobicContact CG2-CG2 3.52Å
215F97.9Very high92.7Very high71 Ų7172.6 Ų72.631%0.31137%0.368SS..EExtended strand (participates in β ladder)trans-116.3136175.9-79-96000110.5A213 A292 I293 R298 A301 I302 V305A213-F215 HydrophobicContact CB-CD2 4.37Å; A213-F215 HydrophobicContact CB-CE2 4.11Å; F215-A292 WeakPolarHBondContact O-CA 3.14Å; F215-I293 PolarHBondContact N-O 2.99Å; F215-I293 PolarHBondContact O-N 3.25Å; F215-R298 HydrophobicContact CE2-CB 3.64Å; F215-R298 HydrophobicContact CZ-CB 3.98Å; F215-A301 HydrophobicContact CB-CB 4.22Å; F215-A301 HydrophobicContact CD2-CB 3.55Å; F215-A301 HydrophobicContact CE2-CB 4.4Å; F215-A301 HydrophobicContact CG-CB 4.24Å; F215-I302 HydrophobicContact CD1-CG1 3.51Å; F215-I302 HydrophobicContact CD2-CG1 3.97Å; F215-I302 HydrophobicContact CE1-CD1 3.73Å; F215-I302 HydrophobicContact CE1-CG1 3.2Å; F215-I302 HydrophobicContact CE2-CD1 4.17Å; F215-I302 HydrophobicContact CE2-CG1 3.69Å; F215-I302 HydrophobicContact CG-CG1 3.89Å; F215-I302 HydrophobicContact CZ-CD1 3.53Å; F215-I302 HydrophobicContact CZ-CG1 3.3Å; F215-V305 HydrophobicContact CB-CG2 3.84Å
216L97.7Very high92.4Very high68 Ų6882.6 Ų82.636%0.35641%0.406SS..EExtended strand (participates in β ladder)trans-124130.3-174.9-172.673.7000109.7I199 V202 V218 I290 V291 A292I199-L216 HydrophobicContact CG2-CD2 3.66Å; V202-L216 HydrophobicContact CG1-CD1 4.25Å; L216-V218 HydrophobicContact CD2-CG2 3.59Å; L216-V218 HydrophobicContact CG-CG2 3.8Å; L216-I290 HydrophobicContact CD1-CG2 3.36Å; L216-I290 HydrophobicContact CG-CG2 4.35Å; L216-V291 CarbonylContact C-O 3.35Å; L216-V291 WeakPolarHBondContact CA-O 3.41Å; L216-A292 HydrophobicContact CD1-CB 3.62Å
217F98.4Very high91.7Very high78 Ų7888.2 Ų88.234%0.34244%0.442SS..EExtended strand (participates in β ladder)trans-110.1127.6162.2172.5-96.3000109.6I289 I290 V291 V305 V309F217-I289 HydrophobicContact CE1-CG2 3.96Å; F217-I290 WeakPolarHBondContact O-CA 3.18Å; F217-V291 HydrophobicContact CB-CB 4.4Å; F217-V291 PolarHBondContact N-O 2.7Å; F217-V291 PolarHBondContact O-N 3.06Å; F217-V305 HydrophobicContact CB-CG1 3.6Å; F217-V309 HydrophobicContact CB-CG2 3.97Å; F217-V309 HydrophobicContact CD1-CB 4.44Å; F217-V309 HydrophobicContact CD1-CG1 4.16Å; F217-V309 HydrophobicContact CD1-CG2 3.36Å; F217-V309 HydrophobicContact CD2-CG2 4.36Å; F217-V309 HydrophobicContact CE1-CG1 3.78Å; F217-V309 HydrophobicContact CE1-CG2 3.87Å; F217-V309 HydrophobicContact CG-CG2 3.63Å; F217-V309 HydrophobicContact CZ-CG1 3.97Å
218V98Very high91.2Very high45 Ų4585.6 Ų85.627%0.27344%0.435SS..EExtended strand (participates in β ladder)trans-117.7110.1175.2-175.70000108.9I199 L216 T220 M287I199-V218 HydrophobicContact CD1-CG2 4.16Å; I199-V218 HydrophobicContact CG1-CG2 4.34Å; L216-V218 HydrophobicContact CD2-CG2 3.59Å; L216-V218 HydrophobicContact CG-CG2 3.8Å; V218-T220 HydrophobicContact CG1-CG2 4.21Å; V218-M287 HydrophobicContact CG1-CB 4.32Å; V218-M287 HydrophobicContact CG1-CG 3.58Å; V218-M287 HydrophobicContact CG1-SD 3.57Å; V218-M287 VanDerWaalsContact CG1-SD 3.57Å
219G96.6Very high90.9Very high10 Ų1088.7 Ų88.710%0.10345%0.448CS..EExtended strand (participates in β ladder)trans-83.4124.1172.400000110.6M287 C288 I289G219-M287 WeakPolarHBondContact O-CA 3.29Å; G219-C288 PolarHBondContact O-N 2.79Å; G219-C288 PolarHBondContact O-SG 2.92Å; G219-I289 PolarHBondContact N-O 3.44Å; G219-I289 PolarHBondContact O-N 2.87Å
220T95.1Very high90.4Very high71 Ų7180.3 Ų80.344%0.43641%0.412SS..EExtended strand (participates in β ladder)trans-116.8152.8175.458.10000111.7V218 R222 E286 M287V218-T220 HydrophobicContact CG1-CG2 4.21Å; T220-R222 PolarHBondContact O-N 3.03Å; T220-E286 WeakPolarHBondContact CA-O 3.31Å; T220-M287 HydrophobicContact CG2-CG 4.18Å
221V91.5Very high89.9Confident3 Ų375.2 Ų75.22%0.01839%0.393CS..PPolyproline II helixtrans-73.4121.1175.6-179.80000109.5L233 V282 S283 V284 G285 E286 C288V221-L233 HydrophobicContact CB-CD1 4.38Å; V221-L233 HydrophobicContact CG1-CB 4.46Å; V221-L233 HydrophobicContact CG1-CD1 3.8Å; V221-L233 HydrophobicContact CG1-CG 3.65Å; V221-L233 HydrophobicContact CG2-CB 4.32Å; V221-L233 HydrophobicContact CG2-CD1 3.95Å; V221-L233 HydrophobicContact CG2-CG 4.2Å; V221-V282 HydrophobicContact CG2-CB 3.9Å; V221-V282 HydrophobicContact CG2-CG1 3.43Å; V221-V282 VanDerWaalsContact CG2-CG1 3.43Å; V221-S283 WeakPolarHBondContact CB-O 3.49Å; V221-V284 HydrophobicContact CG1-CG2 4.02Å; V221-G285 PolarHBondContact O-N 2.88Å; V221-E286 PolarHBondContact N-O 3.24Å; V221-C288 HydrophobicContact CG2-CB 4.43Å
222R89.2Confident89.4Confident210 Ų21074.8 Ų74.879%0.79239%0.39SS*.PPolyproline II helixtrans-93.3143.8179.8-61.4-176-65.2176.80.4111.2T220T220-R222 PolarHBondContact O-N 3.03Å
223Q86.7Confident89Confident85 Ų8572 Ų7240%0.39736%0.358SS..PPolyproline II helixtrans-65.9139161.5-166.964.114.200109.3V230 V284Q223-V230 PolarHBondContact NE2-O 3.16Å; Q223-V230 PolarHBondContact OE1-O 2.76Å; Q223-V284 HydrophobicContact CB-CG1 4.06Å; Q223-V284 VanDerWaalsContact OE1-CG2 3.28Å
224N82.9Confident88.6Confident47 Ų4772.2 Ų72.225%0.25136%0.357SS..PPolyproline II helixtrans-83.9149.917060.1-35.3000111.3R226 P228 V230N224-R226 PolarHBondContact ND2-O 3.26Å; N224-P228 PolarHBondContact ND2-O 3.37Å; N224-V230 HydrophobicContact CB-CG2 4.14Å; N224-V230 WeakPolarHBondContact OD1-CB 3.47Å; N224-V230 WeakPolarHBondContact OD1-CG2 3.28Å; N224-V230 PolarHBondContact OD1-N 3.41Å
225I80.8Confident88.3Confident174 Ų17470.6 Ų70.689%0.89235%0.345SS*.SBendtrans-77.8-32.7-177.4-58.5172.3000111.8
226R79.9Confident87.9Confident210 Ų21069.4 Ų69.479%0.79234%0.34SS*.SBendtrans-104.4137-174.4-65.2-176.3-177.2177.70.8111N224N224-R226 PolarHBondContact ND2-O 3.26Å
227P78.1Confident87.5Confident118 Ų11867.3 Ų67.377%0.76633%0.333SS*.SBendtrans-56.5155.4172.7-26.134.7000113.6
228P79.8Confident87.1Confident59 Ų5969.2 Ų69.238%0.38334%0.339SS..SBendcis-73.4152.1-3.432.8-35.6000111.6N224 V230 F324 F325N224-P228 PolarHBondContact ND2-O 3.37Å; P228-V230 PolarHBondContact O-N 3.39Å; P228-F324 HydrophobicContact CB-CB 3.85Å; P228-F324 HydrophobicContact CB-CD1 4.32Å; P228-F324 HydrophobicContact CB-CG 4.39Å; P228-F324 HydrophobicContact CG-CB 3.67Å; P228-F324 HydrophobicContact CG-CD1 3.77Å; P228-F324 HydrophobicContact CG-CE1 4.4Å; P228-F324 HydrophobicContact CG-CG 3.78Å; P228-F324 WeakPolarHBondContact O-CD1 3.44Å; P228-F325 VanDerWaalsContact CB-O 3.26Å; P228-F325 WeakPolarHBondContact CB-O 3.35Å
229E82.5Confident86.7Confident125 Ų12571.1 Ų71.158%0.58435%0.345SS*.PPolyproline II helixtrans-67.9129-178.8-74.6-177.6-17600111.4F324E229-F324 VanDerWaalsContact O-CA 3.3Å; E229-F324 WeakPolarHBondContact O-CA 3.46Å
230V82.1Confident86.3Confident6 Ų680.2 Ų80.24%0.03638%0.376CS..EExtended strand (participates in β ladder)trans-69129.5168.6174.30000107.6Q223 N224 P228 L233 V284 L322 S323 F324Q223-V230 PolarHBondContact NE2-O 3.16Å; Q223-V230 PolarHBondContact OE1-O 2.76Å; N224-V230 HydrophobicContact CB-CG2 4.14Å; N224-V230 WeakPolarHBondContact OD1-CB 3.47Å; N224-V230 WeakPolarHBondContact OD1-CG2 3.28Å; N224-V230 PolarHBondContact OD1-N 3.41Å; P228-V230 PolarHBondContact O-N 3.39Å; V230-L233 HydrophobicContact CG1-CD2 4.14Å; V230-V284 HydrophobicContact CG1-CG2 4.28Å; V230-V284 WeakPolarHBondContact O-CG2 3.36Å; V230-L322 HydrophobicContact CG2-CD2 4.06Å; V230-S323 WeakPolarHBondContact CA-O 3.24Å; V230-F324 HydrophobicContact CB-CD1 4.37Å; V230-F324 HydrophobicContact CB-CE1 4.36Å; V230-F324 HydrophobicContact CG2-CD1 3.67Å; V230-F324 HydrophobicContact CG2-CE1 3.22Å; V230-F324 HydrophobicContact CG2-CZ 4.01Å
231V83.8Confident86Confident44 Ų4479.3 Ų79.327%0.26737%0.367SS..EExtended strand (participates in β ladder)trans-102.7-39.7177.8-171.80000110.1V284 S323 F325V231-V284 PolarHBondContact O-N 3.14Å; V231-S323 PolarHBondContact N-O 3.24Å; V231-F325 HydrophobicContact CB-CE2 4.26Å; V231-F325 HydrophobicContact CG1-CE2 4.01Å; V231-F325 HydrophobicContact CG1-CZ 4.42Å; V231-F325 HydrophobicContact CG2-CD2 3.23Å; V231-F325 HydrophobicContact CG2-CE2 3.22Å; V231-F325 HydrophobicContact CG2-CG 4.07Å; V231-F325 HydrophobicContact CG2-CZ 4.04Å
232Y85.8Confident86.1Confident14 Ų1479.2 Ų79.26%0.05537%0.367CS..EExtended strand (participates in β ladder)trans-157.8161.4179.962.1-95.4000110.9R281 V282 S323 E337Y232-R281 HydrophobicContact CD2-CB 3.4Å; Y232-R281 HydrophobicContact CD2-CG 4.18Å; Y232-R281 VanDerWaalsContact CE1-NH1 3.33Å; Y232-R281 HydrophobicContact CE2-CB 4Å; Y232-R281 HydrophobicContact CG-CB 3.74Å; Y232-R281 HydrophobicContact CG-CG 4.07Å; Y232-V282 CarbonylContact C-O 3.47Å; Y232-V282 VanDerWaalsContact CA-O 3.32Å; Y232-V282 WeakPolarHBondContact CA-O 3.29Å; Y232-V282 WeakPolarHBondContact CB-O 3.24Å; Y232-S323 VanDerWaalsContact CE1-CB 3.42Å; Y232-S323 WeakPolarHBondContact CE1-OG 3.37Å; Y232-S323 PolarHBondContact O-N 2.6Å; Y232-S323 WeakPolarHBondContact OH-CB 3.37Å; Y232-S323 PolarHBondContact OH-OG 3.41Å; Y232-E337 PolarHBondContact OH-OE1 2.88Å
233L88.3Confident86.2Confident13 Ų1369.8 Ų69.87%0.06833%0.332CS..EExtended strand (participates in β ladder)trans-107.2144.4166.8-61.4-176.6000110.3V221 V230 Y235 V282 K320 K321 L322V221-L233 HydrophobicContact CB-CD1 4.38Å; V221-L233 HydrophobicContact CG1-CB 4.46Å; V221-L233 HydrophobicContact CG1-CD1 3.8Å; V221-L233 HydrophobicContact CG1-CG 3.65Å; V221-L233 HydrophobicContact CG2-CB 4.32Å; V221-L233 HydrophobicContact CG2-CD1 3.95Å; V221-L233 HydrophobicContact CG2-CG 4.2Å; V230-L233 HydrophobicContact CG1-CD2 4.14Å; L233-Y235 HydrophobicContact CB-CD2 4.23Å; L233-Y235 HydrophobicContact CB-CE2 3.64Å; L233-Y235 HydrophobicContact CD1-CE2 4.15Å; L233-Y235 WeakPolarHBondContact CD1-OH 3.28Å; L233-V282 PolarHBondContact N-O 3.37Å; L233-V282 PolarHBondContact O-N 3.32Å; L233-K320 HydrophobicContact CD1-CD 4.11Å; L233-K321 WeakPolarHBondContact CA-O 3.36Å; L233-L322 HydrophobicContact CD2-CB 4.16Å; L233-L322 HydrophobicContact CD2-CD2 4.43Å; L233-L322 HydrophobicContact CD2-CG 3.75Å
234Y88Confident86.4Confident12 Ų1272 Ų725%0.04734%0.34CS..EExtended strand (participates in β ladder)trans-114.2121.4171.3-178.3-99.6000109E236 R271 R280 K320 K321Y234-E236 HydrophobicContact CD1-CG 3.74Å; Y234-E236 HydrophobicContact CE1-CG 3.22Å; Y234-E236 VanDerWaalsContact CE1-OE1 3.23Å; Y234-E236 WeakPolarHBondContact CE1-OE1 3.49Å; Y234-R271 WeakPolarHBondContact CE2-O 3.43Å; Y234-R271 PolarHBondContact OH-O 3.13Å; Y234-R280 HydrophobicContact CD2-CG 4.36Å; Y234-R280 WeakPolarHBondContact CD2-O 3.41Å; Y234-R280 HydrophobicContact CE2-CG 4.07Å; Y234-R280 VanDerWaalsContact CE2-O 3.23Å; Y234-R280 WeakPolarHBondContact CE2-O 3.3Å; Y234-K320 CarbonylContact O-C 3.58Å; Y234-K320 WeakPolarHBondContact O-CA 3.03Å; Y234-K321 HydrophobicContact CD1-CD 4.15Å; Y234-K321 PolarHBondContact N-O 3.14Å; Y234-K321 PolarHBondContact O-N 2.91Å
235Y91Very high87Confident19 Ų1971.4 Ų71.48%0.07534%0.336CS..EExtended strand (participates in β ladder)trans-103.6122.6-176.5-72.1-89.3000110.7L233 H267 G270 V282 C288 I318 W319 K320L233-Y235 HydrophobicContact CB-CD2 4.23Å; L233-Y235 HydrophobicContact CB-CE2 3.64Å; L233-Y235 HydrophobicContact CD1-CE2 4.15Å; L233-Y235 WeakPolarHBondContact CD1-OH 3.28Å; Y235-H267 AromaticContact CD1-CE1 3.41Å; Y235-H267 VanDerWaalsContact CD1-CE1 3.41Å; Y235-H267 WeakPolarHBondContact CD1-CE1 3.26Å; Y235-H267 AromaticContact CE1-CE1 3.71Å; Y235-H267 AromaticContact CG-CE1 3.83Å; Y235-G270 PolarHBondContact O-N 3.34Å; Y235-V282 HydrophobicContact CD2-CB 4.36Å; Y235-V282 HydrophobicContact CD2-CG2 3.77Å; Y235-V282 HydrophobicContact CE2-CB 4.18Å; Y235-V282 HydrophobicContact CE2-CG2 4.01Å; Y235-C288 HydrophobicContact CD2-CB 4.4Å; Y235-C288 HydrophobicContact CE2-CB 3.56Å; Y235-C288 WeakPolarHBondContact OH-CB 3.46Å; Y235-C288 PolarHBondContact OH-SG 3.19Å; Y235-I318 HydrophobicContact CD1-CG2 4.15Å; Y235-W319 CarbonylContact C-O 3.53Å; Y235-W319 VanDerWaalsContact CA-O 3.27Å; Y235-W319 WeakPolarHBondContact CA-O 3.21Å; Y235-K320 HydrophobicContact CD1-CB 3.85Å; Y235-K320 HydrophobicContact CE1-CB 3.68Å; Y235-K320 HydrophobicContact CE1-CD 4.41Å
236E89.7Confident87.7Confident46 Ų4663.2 Ų63.222%0.21529%0.294CS..EExtended strand (participates in β ladder)trans-112142.9173.6-69.5175.2170.700109Y234 I318 W319 K321 Y339Y234-E236 HydrophobicContact CD1-CG 3.74Å; Y234-E236 HydrophobicContact CE1-CG 3.22Å; Y234-E236 VanDerWaalsContact CE1-OE1 3.23Å; Y234-E236 WeakPolarHBondContact CE1-OE1 3.49Å; E236-I318 CarbonylContact O-C 3.55Å; E236-I318 WeakPolarHBondContact O-CA 3.47Å; E236-W319 PolarHBondContact N-O 3.16Å; E236-W319 PolarHBondContact O-N 3.35Å; E236-K321 IonicContact OE1-NZ 3.62Å; E236-K321 PolarHBondContact OE1-NZ 3.33Å; E236-K321 WeakPolarHBondContact OE2-CE 3.28Å; E236-K321 IonicContact OE2-NZ 3.79Å; E236-K321 PolarHBondContact OE2-NZ 3.33Å; E236-Y339 PolarHBondContact OE2-OH 2.85Å
237A89.6Confident88.4Confident24 Ų2457.4 Ų57.420%0.19827%0.272CS..EExtended strand (participates in β ladder)trans-131.7143.7174.800000110.4E239 A242 L269 P317 I318A237-E239 HydrophobicContact CB-CG 4.17Å; A237-E239 PolarHBondContact O-N 2.56Å; A237-A242 HydrophobicContact CB-CB 4.36Å; A237-L269 HydrophobicContact CB-CD1 3.79Å; A237-L269 HydrophobicContact CB-CD2 3.82Å; A237-L269 HydrophobicContact CB-CG 4.5Å; A237-P317 WeakPolarHBondContact CA-O 3.17Å; A237-I318 HydrophobicContact CB-CG1 3.88Å
238Y90.2Very high89.2Confident119 Ų11954.2 Ų54.247%0.46725%0.248SC..  trans-76.979.5156.8-178.6-155.1000107.5R240 M241 A242 P317Y238-R240 VanDerWaalsContact C-N 3.27Å; Y238-R240 HydrophobicContact CE2-CB 4.27Å; Y238-R240 PolarHBondContact O-N 2.94Å; Y238-R240 VanDerWaalsContact O-N 3.08Å; Y238-M241 HydrophobicContact CD1-CB 3.26Å; Y238-M241 HydrophobicContact CD1-CE 3.99Å; Y238-M241 HydrophobicContact CD1-CG 4.16Å; Y238-M241 HydrophobicContact CD1-SD 3.91Å; Y238-M241 HydrophobicContact CE1-CB 3.55Å; Y238-M241 HydrophobicContact CE1-CG 4.41Å; Y238-M241 HydrophobicContact CE1-SD 4.1Å; Y238-M241 HydrophobicContact CG-CB 3.93Å; Y238-M241 PolarHBondContact O-N 2.86Å; Y238-A242 PolarHBondContact O-N 2.95Å; Y238-P317 PolarHBondContact N-O 2.97Å; Y238-P317 VanDerWaalsContact N-O 3.15Å
239E89Confident90Very high84 Ų8451.4 Ų51.439%0.39323%0.23SC..Hα-helixtrans-48.9-44.9-162.8-65.5-174.5-161.800112.8L192 K194 A237 M241 A242 M243 L269L192-E239 HydrophobicContact CD1-CB 4.34Å; L192-E239 HydrophobicContact CD1-CG 4.46Å; K194-E239 IonicContact NZ-OE1 2.96Å; K194-E239 PolarHBondContact NZ-OE1 3.4Å; K194-E239 VanDerWaalsContact NZ-OE1 3.11Å; A237-E239 HydrophobicContact CB-CG 4.17Å; A237-E239 PolarHBondContact O-N 2.56Å; E239-M241 PolarHBondContact O-N 3.03Å; E239-A242 PolarHBondContact O-N 2.7Å; E239-M243 WeakPolarHBondContact O-CB 3.4Å; E239-M243 VanDerWaalsContact O-CG 3.29Å; E239-M243 WeakPolarHBondContact O-CG 3.44Å; E239-M243 PolarHBondContact O-N 2.81Å; E239-L269 HydrophobicContact CG-CD1 4Å
240R87.4Confident90.8Very high201 Ų20145.5 Ų45.576%0.75820%0.203SC*.Hα-helixtrans-60.3-45.2178.9-167.2177.4102.7157.54.1113.1Y238 K244Y238-R240 VanDerWaalsContact C-N 3.27Å; Y238-R240 HydrophobicContact CE2-CB 4.27Å; Y238-R240 PolarHBondContact O-N 2.94Å; Y238-R240 VanDerWaalsContact O-N 3.08Å; R240-K244 PolarHBondContact O-N 3.24Å
241M90.6Very high91.4Very high53 Ų5351 Ų5126%0.26123%0.226SC..Hα-helixtrans-76.2-37.9179.8-173.3168.286.100111.5Y238 E239 M243 K244 Q245 P317 F351Y238-M241 HydrophobicContact CD1-CB 3.26Å; Y238-M241 HydrophobicContact CD1-CE 3.99Å; Y238-M241 HydrophobicContact CD1-CG 4.16Å; Y238-M241 HydrophobicContact CD1-SD 3.91Å; Y238-M241 HydrophobicContact CE1-CB 3.55Å; Y238-M241 HydrophobicContact CE1-CG 4.41Å; Y238-M241 HydrophobicContact CE1-SD 4.1Å; Y238-M241 HydrophobicContact CG-CB 3.93Å; Y238-M241 PolarHBondContact O-N 2.86Å; E239-M241 PolarHBondContact O-N 3.03Å; M241-M243 PolarHBondContact O-N 3.28Å; M241-K244 WeakPolarHBondContact O-CB 3.25Å; M241-K244 PolarHBondContact O-N 2.8Å; M241-Q245 PolarHBondContact O-N 3.38Å; M241-P317 HydrophobicContact CB-CG 4.05Å; M241-P317 HydrophobicContact CE-CB 3.53Å; M241-P317 HydrophobicContact CE-CG 3.47Å; M241-P317 VanDerWaalsContact CE-CG 3.47Å; M241-P317 HydrophobicContact CG-CG 4.02Å; M241-F351 HydrophobicContact CE-CE2 4.23Å; M241-F351 HydrophobicContact CE-CZ 4.39Å
242A93.1Very high92.1Very high0 Ų051.5 Ų51.50%023%0.226CC..Hα-helixtrans-56.8-50.817400000110.8L192 A237 Y238 E239 K244 Q245 L246 V316 P317 I318L192-A242 HydrophobicContact CD1-CB 3.83Å; A237-A242 HydrophobicContact CB-CB 4.36Å; Y238-A242 PolarHBondContact O-N 2.95Å; E239-A242 PolarHBondContact O-N 2.7Å; A242-K244 VanDerWaalsContact C-N 3.3Å; A242-K244 PolarHBondContact O-N 2.83Å; A242-Q245 PolarHBondContact O-N 3.45Å; A242-L246 WeakPolarHBondContact O-CB 3.43Å; A242-L246 WeakPolarHBondContact O-CG 3.36Å; A242-L246 PolarHBondContact O-N 3.08Å; A242-V316 HydrophobicContact CB-CG1 3.94Å; A242-P317 HydrophobicContact CB-CG 4Å; A242-I318 HydrophobicContact CB-CG1 4.14Å
243M91.4Very high92.7Very high13 Ų1350.8 Ų50.86%0.06422%0.223CC..Hα-helixtrans-58.2-40.5176.1-73.5-60.1-65.200112.6I190 L192 E239 M241 R247I190-M243 HydrophobicContact CB-CE 4.11Å; I190-M243 HydrophobicContact CG2-CE 3.79Å; I190-M243 HydrophobicContact CG2-SD 3.71Å; L192-M243 HydrophobicContact CD1-CG 3.93Å; L192-M243 HydrophobicContact CD1-SD 3.92Å; L192-M243 HydrophobicContact CG-CG 4.45Å; L192-M243 HydrophobicContact CG-SD 3.78Å; E239-M243 WeakPolarHBondContact O-CB 3.4Å; E239-M243 VanDerWaalsContact O-CG 3.29Å; E239-M243 WeakPolarHBondContact O-CG 3.44Å; E239-M243 PolarHBondContact O-N 2.81Å; M241-M243 PolarHBondContact O-N 3.28Å; M243-R247 WeakPolarHBondContact O-CG 3.37Å; M243-R247 PolarHBondContact O-N 2.6Å; M243-R247 VanDerWaalsContact O-N 3.17Å
244K90.5Very high93.1Very high132 Ų13253.3 Ų53.357%0.57423%0.231SC*.Hα-helixtrans-61.6-51.2176.2-177.9-178.7174.7-1760111.4R240 M241 A242 L246 R247 D248R240-K244 PolarHBondContact O-N 3.24Å; M241-K244 WeakPolarHBondContact O-CB 3.25Å; M241-K244 PolarHBondContact O-N 2.8Å; A242-K244 VanDerWaalsContact C-N 3.3Å; A242-K244 PolarHBondContact O-N 2.83Å; K244-L246 PolarHBondContact O-N 3.5Å; K244-R247 WeakPolarHBondContact O-CB 3.32Å; K244-R247 PolarHBondContact O-N 2.83Å; K244-D248 PolarHBondContact O-N 2.81Å; K244-D248 VanDerWaalsContact O-N 3.08Å
245Q95Very high93.6Very high34 Ų3460 Ų6016%0.15926%0.263CS..Hα-helixtrans-69.5-34.4-177.1-74.4174.5-61.800112.6M241 A242 R247 D248 V249 Q315 V316M241-Q245 PolarHBondContact O-N 3.38Å; A242-Q245 PolarHBondContact O-N 3.45Å; Q245-R247 VanDerWaalsContact C-N 3.31Å; Q245-R247 PolarHBondContact O-N 3.15Å; Q245-D248 CarbonylContact O-C 3.57Å; Q245-D248 PolarHBondContact O-N 2.81Å; Q245-D248 VanDerWaalsContact O-N 3.11Å; Q245-V249 WeakPolarHBondContact O-CG2 3.47Å; Q245-V249 PolarHBondContact O-N 3.32Å; Q245-Q315 VanDerWaalsContact CD-O 3.3Å; Q245-Q315 PolarHBondContact NE2-O 2.75Å; Q245-Q315 PolarHBondContact OE1-O 3.2Å; Q245-V316 HydrophobicContact CB-CG2 4.11Å
246L95.8Very high93.9Very high2 Ų263.7 Ų63.71%0.0128%0.284CS..Hα-helixtrans-59.8-41.7172.3-71.4168.6000111.7I190 L192 A242 K244 D248 V249 C250 I265 I312 V316I190-L246 HydrophobicContact CD1-CB 4.03Å; I190-L246 HydrophobicContact CG2-CB 3.73Å; I190-L246 HydrophobicContact CG2-CD1 3.66Å; I190-L246 HydrophobicContact CG2-CG 4.29Å; L192-L246 HydrophobicContact CD2-CD1 3.95Å; L192-L246 HydrophobicContact CG-CD1 4.43Å; A242-L246 WeakPolarHBondContact O-CB 3.43Å; A242-L246 WeakPolarHBondContact O-CG 3.36Å; A242-L246 PolarHBondContact O-N 3.08Å; K244-L246 PolarHBondContact O-N 3.5Å; L246-D248 VanDerWaalsContact C-N 3.32Å; L246-D248 PolarHBondContact O-N 2.68Å; L246-V249 WeakPolarHBondContact O-CB 3.48Å; L246-V249 PolarHBondContact O-N 2.83Å; L246-C250 PolarHBondContact O-N 3.27Å; L246-C250 VanDerWaalsContact O-N 3.07Å; L246-C250 PolarHBondContact O-SG 3.03Å; L246-I265 HydrophobicContact CD2-CD1 4.13Å; L246-I265 HydrophobicContact CD2-CG2 3.84Å; L246-I312 HydrophobicContact CD2-CD1 4.02Å; L246-I312 HydrophobicContact CD2-CG1 3.8Å; L246-V316 HydrophobicContact CD1-CG1 4.4Å; L246-V316 HydrophobicContact CD2-CG1 4.16Å; L246-V316 HydrophobicContact CD2-CG2 3.96Å; L246-V316 HydrophobicContact CG-CG1 3.95Å; L246-V316 HydrophobicContact CG-CG2 4.24Å
247R94Very high94.3Very high87 Ų8764 Ų6433%0.32828%0.283SS..Hα-helixtrans-62.8-40172.8-70.6-178.1-163.8108.7-1.9112C34 I190 M243 K244 Q245 V249 C250 K251C34-R247 VanDerWaalsContact C-NH2 3.31Å; C34-R247 PolarHBondContact O-NH2 2.85Å; I190-R247 HydrophobicContact CD1-CB 4.19Å; I190-R247 HydrophobicContact CD1-CG 3.51Å; M243-R247 WeakPolarHBondContact O-CG 3.37Å; M243-R247 PolarHBondContact O-N 2.6Å; M243-R247 VanDerWaalsContact O-N 3.17Å; K244-R247 WeakPolarHBondContact O-CB 3.32Å; K244-R247 PolarHBondContact O-N 2.83Å; Q245-R247 VanDerWaalsContact C-N 3.31Å; Q245-R247 PolarHBondContact O-N 3.15Å; R247-V249 VanDerWaalsContact C-N 3.3Å; R247-V249 PolarHBondContact O-N 3.18Å; R247-C250 PolarHBondContact O-N 3.16Å; R247-K251 WeakPolarHBondContact O-CG 3.44Å; R247-K251 PolarHBondContact O-N 2.92Å
248D95.7Very high94.7Very high51 Ų5167.7 Ų67.727%0.27331%0.305SS..Hα-helixtrans-67.8-30.4177.7-65.3-26000112K244 Q245 L246 K251 Q252K244-D248 PolarHBondContact O-N 2.81Å; K244-D248 VanDerWaalsContact O-N 3.08Å; Q245-D248 CarbonylContact O-C 3.57Å; Q245-D248 PolarHBondContact O-N 2.81Å; Q245-D248 VanDerWaalsContact O-N 3.11Å; L246-D248 VanDerWaalsContact C-N 3.32Å; L246-D248 PolarHBondContact O-N 2.68Å; D248-K251 PolarHBondContact O-N 2.84Å; D248-K251 IonicContact OD1-NZ 2.6Å; D248-K251 PolarHBondContact OD1-NZ 2.91Å; D248-Q252 WeakPolarHBondContact O-CG 3.38Å; D248-Q252 PolarHBondContact O-N 2.82Å; D248-Q252 PolarHBondContact O-NE2 2.83Å
249V97.6Very high95Very high0 Ų065 Ų650%030%0.302CS..Hα-helixtrans-64.4-47.4169.3173.50000110.7Q245 L246 R247 K251 Q252 I253 T311Q245-V249 WeakPolarHBondContact O-CG2 3.47Å; Q245-V249 PolarHBondContact O-N 3.32Å; L246-V249 WeakPolarHBondContact O-CB 3.48Å; L246-V249 PolarHBondContact O-N 2.83Å; R247-V249 VanDerWaalsContact C-N 3.3Å; R247-V249 PolarHBondContact O-N 3.18Å; V249-K251 VanDerWaalsContact C-N 3.29Å; V249-K251 PolarHBondContact O-N 2.88Å; V249-Q252 PolarHBondContact O-N 3.47Å; V249-I253 HydrophobicContact CG1-CD1 3.86Å; V249-I253 HydrophobicContact CG1-CG1 4.45Å; V249-I253 WeakPolarHBondContact O-CG1 3.25Å; V249-I253 PolarHBondContact O-N 3.1Å; V249-T311 HydrophobicContact CG2-CG2 3.66Å
250C97.2Very high95.4Very high2 Ų261.2 Ų61.21%0.01428%0.284CS..Hα-helixtrans-58.7-41.1176.4-63.50000112L246 R247 I253 R254 I263L246-C250 PolarHBondContact O-N 3.27Å; L246-C250 VanDerWaalsContact O-N 3.07Å; L246-C250 PolarHBondContact O-SG 3.03Å; R247-C250 PolarHBondContact O-N 3.16Å; C250-I253 PolarHBondContact O-N 3.12Å; C250-R254 WeakPolarHBondContact O-CG 3.49Å; C250-R254 PolarHBondContact O-N 3.29Å; C250-I263 HydrophobicContact CB-CD1 4.24Å
251K96.6Very high95.8Very high121 Ų12153.6 Ų53.653%0.52626%0.259SS..Hα-helixtrans-61.3-45.1175.3-70.4173.5-170.9165.50112.3R247 D248 V249 R254 Q255R247-K251 WeakPolarHBondContact O-CG 3.44Å; R247-K251 PolarHBondContact O-N 2.92Å; D248-K251 PolarHBondContact O-N 2.84Å; D248-K251 IonicContact OD1-NZ 2.6Å; D248-K251 PolarHBondContact OD1-NZ 2.91Å; V249-K251 VanDerWaalsContact C-N 3.29Å; V249-K251 PolarHBondContact O-N 2.88Å; K251-R254 PolarHBondContact O-N 3.36Å; K251-Q255 WeakPolarHBondContact O-CG 3.36Å; K251-Q255 PolarHBondContact O-N 3.42Å; K251-Q255 VanDerWaalsContact O-N 3.07Å
252Q98.1Very high96.1Very high54 Ų5452.3 Ų52.325%0.25225%0.252SS..Hα-helixtrans-62.2-43.6177.5-75.6166.676.500111.5D248 V249 R254 Q255 L256 Y307D248-Q252 WeakPolarHBondContact O-CG 3.38Å; D248-Q252 PolarHBondContact O-N 2.82Å; D248-Q252 PolarHBondContact O-NE2 2.83Å; V249-Q252 PolarHBondContact O-N 3.47Å; Q252-R254 VanDerWaalsContact C-N 3.34Å; Q252-R254 PolarHBondContact O-N 2.87Å; Q252-Q255 PolarHBondContact O-N 3.38Å; Q252-L256 WeakPolarHBondContact O-CG 3.21Å; Q252-L256 PolarHBondContact O-N 3.21Å; Q252-Y307 HydrophobicContact CB-CE1 4.25Å; Q252-Y307 PolarHBondContact OE1-OH 2.74Å
253I98.4Very high96.3Very high0 Ų052.3 Ų52.30%025%0.252CS..Hα-helixtrans-57.7-47.8176-71.3166.8000110.6V249 C250 Q255 L256 W257 I260 I263 I293 A304 Y307 C308V249-I253 HydrophobicContact CG1-CD1 3.86Å; V249-I253 HydrophobicContact CG1-CG1 4.45Å; V249-I253 WeakPolarHBondContact O-CG1 3.25Å; V249-I253 PolarHBondContact O-N 3.1Å; C250-I253 PolarHBondContact O-N 3.12Å; I253-Q255 VanDerWaalsContact C-N 3.26Å; I253-Q255 PolarHBondContact O-N 3.18Å; I253-L256 PolarHBondContact O-N 3.21Å; I253-W257 HydrophobicContact CB-CE3 4.42Å; I253-W257 HydrophobicContact CG1-CZ3 4.38Å; I253-W257 HydrophobicContact CG2-CE3 4.06Å; I253-W257 PolarHBondContact O-N 3.41Å; I253-I260 HydrophobicContact CG2-CG1 4.15Å; I253-I260 HydrophobicContact CG2-CG2 4.37Å; I253-I263 HydrophobicContact CB-CD1 4.05Å; I253-I263 HydrophobicContact CD1-CD1 4.47Å; I253-I263 HydrophobicContact CG2-CD1 3.65Å; I253-I293 HydrophobicContact CD1-CD1 4.18Å; I253-A304 HydrophobicContact CG2-CB 3.85Å; I253-Y307 HydrophobicContact CD1-CD1 4.38Å; I253-Y307 HydrophobicContact CG1-CD1 3.67Å; I253-Y307 HydrophobicContact CG1-CE1 4Å; I253-C308 HydrophobicContact CD1-CB 3.61Å
254R97.1Very high96.4Very high65 Ų6551.7 Ų51.725%0.24525%0.249CC..Hα-helixtrans-66.5-26.8-179.7-69.4178.8-178.3-73.1-3.1113.6S187 N188 C250 K251 Q252 P258 I260 D261 I263S187-R254 PolarHBondContact O-NH2 3.15Å; N188-R254 PolarHBondContact OD1-NE 2.99Å; N188-R254 PolarHBondContact OD1-NH2 2.83Å; C250-R254 WeakPolarHBondContact O-CG 3.49Å; C250-R254 PolarHBondContact O-N 3.29Å; K251-R254 PolarHBondContact O-N 3.36Å; Q252-R254 VanDerWaalsContact C-N 3.34Å; Q252-R254 PolarHBondContact O-N 2.87Å; R254-P258 WeakPolarHBondContact O-CA 3.31Å; R254-I260 PolarHBondContact NH1-O 2.87Å; R254-D261 VanDerWaalsContact CZ-O 3.24Å; R254-D261 PolarHBondContact NH1-O 3.22Å; R254-D261 PolarHBondContact NH2-O 3.05Å; R254-I263 HydrophobicContact CG-CD1 4.11Å
255Q97.7Very high96.7Very high152 Ų15245.5 Ų45.571%0.7122%0.222SC*.Hα-helixtrans-74.4-41.1173-72.6172.2-700112K251 Q252 I253K251-Q255 WeakPolarHBondContact O-CG 3.36Å; K251-Q255 PolarHBondContact O-N 3.42Å; K251-Q255 VanDerWaalsContact O-N 3.07Å; Q252-Q255 PolarHBondContact O-N 3.38Å; I253-Q255 VanDerWaalsContact C-N 3.26Å; I253-Q255 PolarHBondContact O-N 3.18Å
256L98.1Very high96.6Very high98 Ų9843.9 Ų43.951%0.51321%0.214SC..Hα-helixtrans-75.5-36.3-179.4-70.1171.5000112.4Q252 I253 Y307Q252-L256 WeakPolarHBondContact O-CG 3.21Å; Q252-L256 PolarHBondContact O-N 3.21Å; I253-L256 PolarHBondContact O-N 3.21Å; L256-Y307 HydrophobicContact CD1-CD2 4.27Å; L256-Y307 HydrophobicContact CD1-CE1 4.18Å; L256-Y307 HydrophobicContact CD1-CE2 3.82Å
257W98.2Very high96.6Very high53 Ų5344.5 Ų44.520%0.20122%0.217CC..  trans-130.679.8179.6-57.9-80.9000110.1I253 P259 I260 E300 A304 Y307I253-W257 HydrophobicContact CB-CE3 4.42Å; I253-W257 HydrophobicContact CG1-CZ3 4.38Å; I253-W257 HydrophobicContact CG2-CE3 4.06Å; I253-W257 PolarHBondContact O-N 3.41Å; W257-P259 VanDerWaalsContact C-N 3.26Å; W257-I260 HydrophobicContact CB-CD1 4.36Å; W257-I260 HydrophobicContact CB-CG1 3.61Å; W257-I260 WeakPolarHBondContact O-CB 3.49Å; W257-I260 WeakPolarHBondContact O-CG1 3.45Å; W257-I260 PolarHBondContact O-N 2.97Å; W257-I260 VanDerWaalsContact O-N 3.07Å; W257-E300 HydrophobicContact CB-CB 4.43Å; W257-A304 HydrophobicContact CD2-CB 4.24Å; W257-A304 HydrophobicContact CE3-CB 3.95Å; W257-A304 HydrophobicContact CZ3-CB 4.39Å; W257-Y307 HydrophobicContact CH2-CD1 4.28Å; W257-Y307 HydrophobicContact CH2-CD2 4.01Å; W257-Y307 AromaticContact CH2-CG 3.68Å; W257-Y307 HydrophobicContact CH2-CG 3.68Å; W257-Y307 AromaticContact CZ3-CD1 3.89Å; W257-Y307 HydrophobicContact CZ3-CD1 3.89Å; W257-Y307 HydrophobicContact CZ3-CD2 4.39Å; W257-Y307 AromaticContact CZ3-CG 3.78Å; W257-Y307 HydrophobicContact CZ3-CG 3.78Å
258P97Very high96.5Very high100 Ų10040.5 Ų40.565%0.64920%0.202SC*.THydrogen-bonded Turntrans-53-31.4177.2-26.434.7000115.8R254 I260R254-P258 WeakPolarHBondContact O-CA 3.31Å; P258-I260 PolarHBondContact O-N 2.89Å
259P96.9Very high96.3Very high63 Ų6338.2 Ų38.241%0.40919%0.19SC..THydrogen-bonded Turntrans-70.7-4.9176.2-22.535.1000115.9W257 D261 P296 E300W257-P259 VanDerWaalsContact C-N 3.26Å; P259-D261 PolarHBondContact O-N 2.77Å; P259-P296 WeakPolarHBondContact O-CD 3.49Å; P259-E300 HydrophobicContact CB-CG 4.5Å; P259-E300 HydrophobicContact CG-CG 4.43Å
260I98Very high95.7Very high5 Ų538.5 Ų38.53%0.02619%0.192CC..  trans-65.7119.9175.5-66.6-53.8000109.6I253 R254 W257 P258 I263 I293 E300 A304I253-I260 HydrophobicContact CG2-CG1 4.15Å; I253-I260 HydrophobicContact CG2-CG2 4.37Å; R254-I260 PolarHBondContact NH1-O 2.87Å; W257-I260 HydrophobicContact CB-CD1 4.36Å; W257-I260 HydrophobicContact CB-CG1 3.61Å; W257-I260 WeakPolarHBondContact O-CB 3.49Å; W257-I260 WeakPolarHBondContact O-CG1 3.45Å; W257-I260 PolarHBondContact O-N 2.97Å; W257-I260 VanDerWaalsContact O-N 3.07Å; P258-I260 PolarHBondContact O-N 2.89Å; I260-I263 HydrophobicContact CG2-CD1 3.84Å; I260-I263 HydrophobicContact CG2-CG1 3.55Å; I260-I293 HydrophobicContact CB-CG2 4.45Å; I260-I293 HydrophobicContact CD1-CG2 3.56Å; I260-I293 HydrophobicContact CG1-CG2 4.17Å; I260-I293 HydrophobicContact CG2-CG2 3.52Å; I260-E300 HydrophobicContact CD1-CB 4.01Å; I260-A304 HydrophobicContact CD1-CB 3.93Å; I260-A304 HydrophobicContact CG1-CB 4.15Å
261D95.7Very high94.8Very high41 Ų4141.8 Ų41.822%0.21921%0.205CC..  trans-84.7-73.9176.8-175.77.9000110.4S187 D211 R254 P259 S294S187-D261 WeakPolarHBondContact CB-O 3.3Å; D211-D261 VanDerWaalsContact OD2-CB 3.32Å; D211-D261 WeakPolarHBondContact OD2-CB 3.31Å; R254-D261 VanDerWaalsContact CZ-O 3.24Å; R254-D261 PolarHBondContact NH1-O 3.22Å; R254-D261 PolarHBondContact NH2-O 3.05Å; P259-D261 PolarHBondContact O-N 2.77Å; D261-S294 PolarHBondContact N-O 3.08Å
262K95.7Very high93.5Very high26 Ų2639.7 Ų39.711%0.11320%0.203CC..  trans-106.5143.9-175.2-54.6-62.6178.8176.60112.6S187 Y205 V206 I293 S294S187-K262 WeakPolarHBondContact O-CA 3.48Å; S187-K262 PolarHBondContact OG-NZ 3.07Å; Y205-K262 HydrophobicContact CE1-CB 4.3Å; Y205-K262 HydrophobicContact CE1-CD 4.44Å; V206-K262 HydrophobicContact CB-CB 4.07Å; V206-K262 HydrophobicContact CG1-CB 4.01Å; K262-I293 WeakPolarHBondContact O-CA 3.2Å; K262-S294 WeakPolarHBondContact CB-OG 3.29Å; K262-S294 PolarHBondContact N-OG 3.37Å; K262-S294 VanDerWaalsContact N-OG 3.13Å; K262-S294 PolarHBondContact O-N 3.21Å
263I97.1Very high91.8Very high0 Ų042.7 Ų42.70%022%0.22CC..EExtended strand (participates in β ladder)trans-131.5127.1175.2-57.6173.8000108.8S187 N188 W189 C250 I253 R254 I260 I265 A292 I293S187-I263 PolarHBondContact O-N 3.04Å; N188-I263 CarbonylContact C-O 3.57Å; N188-I263 VanDerWaalsContact CA-O 3.23Å; N188-I263 WeakPolarHBondContact CA-O 3.45Å; W189-I263 PolarHBondContact N-O 2.87Å; C250-I263 HydrophobicContact CB-CD1 4.24Å; I253-I263 HydrophobicContact CB-CD1 4.05Å; I253-I263 HydrophobicContact CD1-CD1 4.47Å; I253-I263 HydrophobicContact CG2-CD1 3.65Å; R254-I263 HydrophobicContact CG-CD1 4.11Å; I260-I263 HydrophobicContact CG2-CD1 3.84Å; I260-I263 HydrophobicContact CG2-CG1 3.55Å; I263-I265 HydrophobicContact CG2-CD1 4.47Å; I263-I265 HydrophobicContact CG2-CG1 4.22Å; I263-A292 CarbonylContact C-O 3.49Å; I263-I293 HydrophobicContact CG1-CD1 4.48Å; I263-I293 HydrophobicContact CG1-CG1 4.31Å; I263-I293 HydrophobicContact CG1-CG2 4.29Å; I263-I293 HydrophobicContact CG2-CD1 4.32Å; I263-I293 HydrophobicContact CG2-CG1 4.15Å
264V95.1Very high90.2Very high0 Ų046.2 Ų46.20%026%0.256CS..EExtended strand (participates in β ladder)trans-118131.8170.3-176.80000109.2W189 V202 Y205 V206 V291 A292W189-V264 HydrophobicContact CB-CG1 4.27Å; W189-V264 HydrophobicContact CB-CG2 4.08Å; W189-V264 HydrophobicContact CD2-CG1 4.36Å; W189-V264 HydrophobicContact CE3-CG1 4.24Å; W189-V264 HydrophobicContact CE3-CG2 4.29Å; W189-V264 HydrophobicContact CG-CG1 4.4Å; W189-V264 CarbonylContact O-C 3.56Å; W189-V264 VanDerWaalsContact O-CA 3.28Å; W189-V264 WeakPolarHBondContact O-CA 3.46Å; V202-V264 HydrophobicContact CB-CG1 4.4Å; V202-V264 HydrophobicContact CG1-CB 3.85Å; V202-V264 HydrophobicContact CG1-CG1 3.75Å; V202-V264 HydrophobicContact CG1-CG2 4.15Å; V202-V264 HydrophobicContact CG2-CG1 3.98Å; Y205-V264 HydrophobicContact CD1-CG2 3.24Å; Y205-V264 HydrophobicContact CE1-CG2 3.81Å; Y205-V264 HydrophobicContact CG-CG2 3.98Å; V206-V264 HydrophobicContact CG1-CB 4.3Å; V206-V264 HydrophobicContact CG1-CG2 3.38Å; V264-V291 VanDerWaalsContact O-CA 3.31Å; V264-V291 WeakPolarHBondContact O-CA 3.34Å; V264-A292 HydrophobicContact CB-CB 4.25Å; V264-A292 PolarHBondContact N-O 3.38Å; V264-A292 PolarHBondContact O-N 3.33Å
265I96.5Very high88.5Confident1 Ų146 Ų461%0.00526%0.262CS..EExtended strand (participates in β ladder)trans-129.1107.3168.7-54.2166.2000108.2W189 I190 M191 L246 I263 V291 I312W189-I265 PolarHBondContact O-N 3.28Å; I190-I265 CarbonylContact C-O 3.57Å; I190-I265 WeakPolarHBondContact CA-O 3.49Å; M191-I265 PolarHBondContact N-O 2.91Å; L246-I265 HydrophobicContact CD2-CD1 4.13Å; L246-I265 HydrophobicContact CD2-CG2 3.84Å; I263-I265 HydrophobicContact CG2-CD1 4.47Å; I263-I265 HydrophobicContact CG2-CG1 4.22Å; I265-V291 HydrophobicContact CG2-CG2 4.36Å; I265-I312 HydrophobicContact CD1-CD1 4.19Å; I265-I312 HydrophobicContact CG1-CD1 4.42Å; I265-I312 HydrophobicContact CG2-CD1 3.69Å
266A93.3Very high86.7Confident1 Ų147.3 Ų47.31%0.00827%0.272CS..EExtended strand (participates in β ladder)trans-115.5118.3178.500000110M191 L197 I289 I290M191-A266 HydrophobicContact CB-CB 4.39Å; M191-A266 HydrophobicContact CE-CB 3.72Å; M191-A266 CarbonylContact O-C 3.26Å; M191-A266 WeakPolarHBondContact O-CA 3.44Å; L197-A266 HydrophobicContact CD2-CB 4.12Å; A266-I289 CarbonylContact O-C 3.55Å; A266-I289 VanDerWaalsContact O-CA 3.27Å; A266-I289 WeakPolarHBondContact O-CA 3.29Å; A266-I290 HydrophobicContact CB-CB 4.47Å; A266-I290 PolarHBondContact N-O 3.29Å; A266-I290 PolarHBondContact O-N 2.86Å
267H94.6Very high85.2Confident14 Ų1443.8 Ų43.87%0.06526%0.255CS..EExtended strand (participates in β ladder)trans-118.6128.6177.6-161.9-54.6000110.8M191 L192 T193 Y235 C288 I318M191-H267 PolarHBondContact O-N 2.84Å; L192-H267 HydrophobicContact CD2-CB 3.76Å; T193-H267 PolarHBondContact N-O 2.76Å; Y235-H267 AromaticContact CD1-CE1 3.41Å; Y235-H267 VanDerWaalsContact CD1-CE1 3.41Å; Y235-H267 WeakPolarHBondContact CD1-CE1 3.26Å; Y235-H267 AromaticContact CE1-CE1 3.71Å; Y235-H267 AromaticContact CG-CE1 3.83Å; H267-C288 PolarHBondContact ND1-O 3.47Å; H267-I318 HydrophobicContact CB-CD1 4.29Å
268R92.6Very high83.5Confident4 Ų446.2 Ų46.22%0.01528%0.278CS..EExtended strand (participates in β ladder)trans-84.6121.4174.4-173.5172.1177.9-150.4-6.9110.4T193 D195 L197 R281 V282 E286 C288T193-R268 CarbonylContact O-C 3.56Å; T193-R268 WeakPolarHBondContact O-CA 3.27Å; D195-R268 VanDerWaalsContact O-CD 3.3Å; D195-R268 WeakPolarHBondContact O-CD 3.45Å; D195-R268 WeakPolarHBondContact O-CG 3.37Å; D195-R268 PolarHBondContact O-NE 2.8Å; L197-R268 HydrophobicContact CD1-CB 4.18Å; L197-R268 HydrophobicContact CD2-CB 4.13Å; L197-R268 HydrophobicContact CG-CB 4Å; R268-R281 PolarHBondContact NH2-O 2.97Å; R268-R281 VanDerWaalsContact NH2-O 3.17Å; R268-V282 HydrophobicContact CG-CG2 4.01Å; R268-E286 IonicContact CZ-OE2 2.68Å; R268-E286 IonicContact NH1-OE1 3.5Å; R268-E286 IonicContact NH1-OE2 2.83Å; R268-E286 PolarHBondContact NH1-OE2 2.92Å; R268-E286 IonicContact NH2-OE2 3.61Å; R268-C288 PolarHBondContact N-O 2.91Å
269L90.9Very high82Confident3 Ų345.4 Ų45.42%0.01626%0.262CS..PPolyproline II helixtrans-98.3166.7174.6-57.1-173.8000110.5L192 T193 K194 A237 E239 I318L192-L269 HydrophobicContact CB-CD1 3.92Å; L192-L269 HydrophobicContact CB-CG 4.4Å; L192-L269 HydrophobicContact CD1-CD1 4.43Å; T193-L269 PolarHBondContact O-N 2.93Å; K194-L269 HydrophobicContact CG-CB 4.42Å; A237-L269 HydrophobicContact CB-CD1 3.79Å; A237-L269 HydrophobicContact CB-CD2 3.82Å; A237-L269 HydrophobicContact CB-CG 4.5Å; E239-L269 HydrophobicContact CG-CD1 4Å; L269-I318 HydrophobicContact CD2-CG2 4.08Å
270G85Confident80.9Confident5 Ų544.4 Ų44.45%0.05225%0.251CS..PPolyproline II helixtrans-87.7158.2168.900000112.7Y235 R280Y235-G270 PolarHBondContact O-N 3.34Å; G270-R280 WeakPolarHBondContact CA-O 3.29Å
271R78Confident80.2Confident72 Ų7249.3 Ų49.327%0.27227%0.269SS..PPolyproline II helixtrans-86.5148.7171.3-63.5-168.5176.6-147.30.8111.1K194 D195 Y234 S277 R280K194-R271 HydrophobicContact CB-CG 3.78Å; K194-R271 HydrophobicContact CD-CG 4.13Å; K194-R271 HydrophobicContact CG-CG 3.96Å; D195-R271 IonicContact OD1-NH2 3.54Å; D195-R271 PolarHBondContact OD1-NH2 3.42Å; Y234-R271 WeakPolarHBondContact CE2-O 3.43Å; Y234-R271 PolarHBondContact OH-O 3.13Å; R271-S277 WeakPolarHBondContact CD-OG 3.15Å; R271-R280 PolarHBondContact N-O 3.03Å; R271-R280 WeakPolarHBondContact O-CG 3.23Å
272P70.6Confident79.9Confident77 Ų7747.3 Ų47.350%0.526%0.258SS..PPolyproline II helixtrans-49.6151.4-178.1-26.934.1000114.6G274 T275P272-G274 PolarHBondContact O-N 3.21Å; P272-T275 PolarHBondContact O-N 3.39Å; P272-T275 PolarHBondContact O-OG1 3.41Å
273I61.3Low79.6Confident117 Ų11748.2 Ų48.260%0.627%0.268SS*.THydrogen-bonded Turntrans-59.4130.2174.6-49.2-166.1000109.2
274G64.4Low79.3Confident73 Ų7350.8 Ų50.875%0.75328%0.283SS*.THydrogen-bonded Turntrans103.1-9.3-178.900000115.5P272P272-G274 PolarHBondContact O-N 3.21Å
275T61Low79.2Confident62 Ų6253.5 Ų53.538%0.3831%0.311SS..  trans-79.4128.3174.9-47.90000111.4P272 S277P272-T275 PolarHBondContact O-N 3.39Å; P272-T275 PolarHBondContact O-OG1 3.41Å; T275-S277 VanDerWaalsContact C-N 3.33Å; T275-S277 PolarHBondContact O-N 2.75Å
276I60.2Low79Confident179 Ų17955.6 Ų55.692%0.91832%0.321SS*.  trans-7687.1167.1-55.7172.7000107.4
277S66.2Low79.1Confident23 Ų2357.8 Ų57.816%0.16133%0.332CS..  trans-146.7134.2177.4-178.10000111.1R271 T275 Y279 R280R271-S277 WeakPolarHBondContact CD-OG 3.15Å; T275-S277 VanDerWaalsContact C-N 3.33Å; T275-S277 PolarHBondContact O-N 2.75Å; S277-Y279 PolarHBondContact O-N 3.37Å; S277-Y279 VanDerWaalsContact O-N 3.17Å; S277-Y279 PolarHBondContact OG-N 3.37Å; S277-R280 PolarHBondContact O-N 3.08Å
278P63.9Low79.1Confident104 Ų10457.5 Ų57.568%0.67533%0.331SS*.G310 helixtrans-62.5-21.6174.427.1-34.2000112R280P278-R280 VanDerWaalsContact C-N 3.31Å; P278-R280 PolarHBondContact O-N 3.03Å
279Y65.9Low79.3Confident83 Ų8358.1 Ų58.133%0.32534%0.335SS..G310 helixtrans-87.811.6-177.8-51.7-65.1000114.2K196 S277 R281K196-Y279 HydrophobicContact CG-CE1 4.27Å; S277-Y279 PolarHBondContact O-N 3.37Å; S277-Y279 VanDerWaalsContact O-N 3.17Å; S277-Y279 PolarHBondContact OG-N 3.37Å; Y279-R281 PolarHBondContact O-N 3.26Å
280R72.7Confident79.6Confident42 Ų4258 Ų5816%0.15833%0.334CS..G310 helixtrans-58.8-31.6176-174.7178.9176.7-97.31.3112.4Y234 G270 R271 S277 P278 E337Y234-R280 HydrophobicContact CD2-CG 4.36Å; Y234-R280 WeakPolarHBondContact CD2-O 3.41Å; Y234-R280 HydrophobicContact CE2-CG 4.07Å; Y234-R280 VanDerWaalsContact CE2-O 3.23Å; Y234-R280 WeakPolarHBondContact CE2-O 3.3Å; G270-R280 WeakPolarHBondContact CA-O 3.29Å; R271-R280 PolarHBondContact N-O 3.03Å; R271-R280 WeakPolarHBondContact O-CG 3.23Å; S277-R280 PolarHBondContact O-N 3.08Å; P278-R280 VanDerWaalsContact C-N 3.31Å; P278-R280 PolarHBondContact O-N 3.03Å; R280-E337 IonicContact CZ-OE1 2.64Å; R280-E337 IonicContact NH1-OE1 3.26Å; R280-E337 PolarHBondContact NH1-OE1 2.86Å; R280-E337 IonicContact NH2-OE1 2.69Å; R280-E337 IonicContact NH2-OE2 3.08Å
281R83Confident80.2Confident108 Ų10857.8 Ų57.841%0.40833%0.331SS..SBendtrans-134.2160.9-165.956.1-179.3172.4-164.43.2111.6Y232 R268 Y279Y232-R281 HydrophobicContact CD2-CB 3.4Å; Y232-R281 HydrophobicContact CD2-CG 4.18Å; Y232-R281 VanDerWaalsContact CE1-NH1 3.33Å; Y232-R281 HydrophobicContact CE2-CB 4Å; Y232-R281 HydrophobicContact CG-CB 3.74Å; Y232-R281 HydrophobicContact CG-CG 4.07Å; R268-R281 PolarHBondContact NH2-O 2.97Å; R268-R281 VanDerWaalsContact NH2-O 3.17Å; Y279-R281 PolarHBondContact O-N 3.26Å
282V89.3Confident81.1Confident0 Ų054.3 Ų54.30%032%0.319CS..EExtended strand (participates in β ladder)trans-107.3107.6170.9-168.20000107.7V221 Y232 L233 Y235 R268 E286 C288V221-V282 HydrophobicContact CG2-CB 3.9Å; V221-V282 HydrophobicContact CG2-CG1 3.43Å; V221-V282 VanDerWaalsContact CG2-CG1 3.43Å; Y232-V282 CarbonylContact C-O 3.47Å; Y232-V282 VanDerWaalsContact CA-O 3.32Å; Y232-V282 WeakPolarHBondContact CA-O 3.29Å; Y232-V282 WeakPolarHBondContact CB-O 3.24Å; L233-V282 PolarHBondContact N-O 3.37Å; L233-V282 PolarHBondContact O-N 3.32Å; Y235-V282 HydrophobicContact CD2-CB 4.36Å; Y235-V282 HydrophobicContact CD2-CG2 3.77Å; Y235-V282 HydrophobicContact CE2-CB 4.18Å; Y235-V282 HydrophobicContact CE2-CG2 4.01Å; R268-V282 HydrophobicContact CG-CG2 4.01Å; V282-E286 HydrophobicContact CG1-CB 3.67Å; V282-C288 HydrophobicContact CG1-CB 4.19Å
283S90.3Very high82.4Confident44 Ų4450.7 Ų50.731%0.30830%0.295SS..EExtended strand (participates in β ladder)trans-72.7159.7-176.4-50.70000110.7V221 G285 E286V221-S283 WeakPolarHBondContact CB-O 3.49Å; S283-G285 PolarHBondContact O-N 3.03Å; S283-E286 PolarHBondContact N-OE2 2.54Å; S283-E286 VanDerWaalsContact O-CB 3.29Å; S283-E286 WeakPolarHBondContact O-CB 3.35Å; S283-E286 PolarHBondContact O-N 3.3Å
284V90.8Very high84.2Confident54 Ų5445.1 Ų45.133%0.32727%0.266SS..THydrogen-bonded Turntrans-52.6135.5171.5172.10000110.5V221 Q223 V230 V231 E286V221-V284 HydrophobicContact CG1-CG2 4.02Å; Q223-V284 HydrophobicContact CB-CG1 4.06Å; Q223-V284 VanDerWaalsContact OE1-CG2 3.28Å; V230-V284 HydrophobicContact CG1-CG2 4.28Å; V230-V284 WeakPolarHBondContact O-CG2 3.36Å; V231-V284 PolarHBondContact O-N 3.14Å; V284-E286 VanDerWaalsContact C-N 3.27Å; V284-E286 PolarHBondContact O-N 3.46Å
285G92.8Very high85.8Confident57 Ų5741.6 Ų41.659%0.58823%0.23SC*.THydrogen-bonded Turntrans84.6-17.4-17400000114.8V221 S283V221-G285 PolarHBondContact O-N 2.88Å; S283-G285 PolarHBondContact O-N 3.03Å
286E93.1Very high87.6Confident45 Ų4541.1 Ų41.121%0.2123%0.228CC..SBendtrans-79.4151.6178-62.4-167.8134.300112.4K196 T220 V221 R268 V282 S283 V284K196-E286 WeakPolarHBondContact CE-OE1 3.43Å; K196-E286 IonicContact NZ-OE1 3.61Å; T220-E286 WeakPolarHBondContact CA-O 3.31Å; V221-E286 PolarHBondContact N-O 3.24Å; R268-E286 IonicContact CZ-OE2 2.68Å; R268-E286 IonicContact NH1-OE1 3.5Å; R268-E286 IonicContact NH1-OE2 2.83Å; R268-E286 PolarHBondContact NH1-OE2 2.92Å; R268-E286 IonicContact NH2-OE2 3.61Å; V282-E286 HydrophobicContact CG1-CB 3.67Å; S283-E286 PolarHBondContact N-OE2 2.54Å; S283-E286 VanDerWaalsContact O-CB 3.29Å; S283-E286 WeakPolarHBondContact O-CB 3.35Å; S283-E286 PolarHBondContact O-N 3.3Å; V284-E286 VanDerWaalsContact C-N 3.27Å; V284-E286 PolarHBondContact O-N 3.46Å
287M94.1Very high89.3Confident47 Ų4739 Ų3923%0.23221%0.214CC..EExtended strand (participates in β ladder)trans-72.8134.2175.5-60.3-178.3-76.400111.4L197 I199 V218 G219 T220 I290L197-M287 HydrophobicContact CB-CE 4.45Å; L197-M287 HydrophobicContact CD1-CB 4.45Å; L197-M287 WeakPolarHBondContact O-CE 3.39Å; I199-M287 HydrophobicContact CD1-CE 4.41Å; I199-M287 HydrophobicContact CD1-SD 3.63Å; I199-M287 HydrophobicContact CG1-CE 4.27Å; I199-M287 HydrophobicContact CG1-SD 3.67Å; V218-M287 HydrophobicContact CG1-CB 4.32Å; V218-M287 HydrophobicContact CG1-CG 3.58Å; V218-M287 HydrophobicContact CG1-SD 3.57Å; V218-M287 VanDerWaalsContact CG1-SD 3.57Å; G219-M287 WeakPolarHBondContact O-CA 3.29Å; T220-M287 HydrophobicContact CG2-CG 4.18Å; M287-I290 HydrophobicContact SD-CD1 4.09Å; M287-I290 HydrophobicContact SD-CG1 4.45Å
288C94.2Very high90.8Very high8 Ų846.5 Ų46.55%0.05424%0.239CC..EExtended strand (participates in β ladder)trans-113.3-26174.861.40000113.5G219 V221 Y235 H267 R268 V282G219-C288 PolarHBondContact O-N 2.79Å; G219-C288 PolarHBondContact O-SG 2.92Å; V221-C288 HydrophobicContact CG2-CB 4.43Å; Y235-C288 HydrophobicContact CD2-CB 4.4Å; Y235-C288 HydrophobicContact CE2-CB 3.56Å; Y235-C288 WeakPolarHBondContact OH-CB 3.46Å; Y235-C288 PolarHBondContact OH-SG 3.19Å; H267-C288 PolarHBondContact ND1-O 3.47Å; R268-C288 PolarHBondContact N-O 2.91Å; V282-C288 HydrophobicContact CG1-CB 4.19Å
289I96.9Very high92.4Very high18 Ų1844.3 Ų44.39%0.09223%0.229CC..EExtended strand (participates in β ladder)trans-147.6142.9176.8-176.6172.7000110.4F217 G219 A266 V291 I312F217-I289 HydrophobicContact CE1-CG2 3.96Å; G219-I289 PolarHBondContact N-O 3.44Å; G219-I289 PolarHBondContact O-N 2.87Å; A266-I289 CarbonylContact O-C 3.55Å; A266-I289 VanDerWaalsContact O-CA 3.27Å; A266-I289 WeakPolarHBondContact O-CA 3.29Å; I289-V291 HydrophobicContact CD1-CG2 4.09Å; I289-V291 HydrophobicContact CG1-CG2 4.27Å; I289-I312 HydrophobicContact CD1-CD1 4.11Å; I289-I312 HydrophobicContact CD1-CG2 4.35Å
290I97Very high93.9Very high0 Ų042.7 Ų42.70%023%0.225CC..EExtended strand (participates in β ladder)trans-125.1130166.4-57.7177.1000107.9L197 I199 V202 L216 F217 A266 M287L197-I290 HydrophobicContact CB-CD1 3.58Å; L197-I290 HydrophobicContact CB-CG1 4.12Å; L197-I290 HydrophobicContact CD1-CD1 4.27Å; L197-I290 HydrophobicContact CD1-CG1 3.85Å; I199-I290 HydrophobicContact CG1-CD1 3.86Å; V202-I290 HydrophobicContact CB-CG2 4.28Å; V202-I290 HydrophobicContact CG1-CG2 3.81Å; V202-I290 HydrophobicContact CG2-CD1 4.43Å; V202-I290 HydrophobicContact CG2-CG2 4.25Å; L216-I290 HydrophobicContact CD1-CG2 3.36Å; L216-I290 HydrophobicContact CG-CG2 4.35Å; F217-I290 WeakPolarHBondContact O-CA 3.18Å; A266-I290 HydrophobicContact CB-CB 4.47Å; A266-I290 PolarHBondContact N-O 3.29Å; A266-I290 PolarHBondContact O-N 2.86Å; M287-I290 HydrophobicContact SD-CD1 4.09Å; M287-I290 HydrophobicContact SD-CG1 4.45Å
291V98.2Very high95.1Very high0 Ų040.7 Ų40.70%022%0.218CC..EExtended strand (participates in β ladder)trans-119.4124.9166.8175.30000107.6L216 F217 V264 I265 I289 I293 V305 C308 V309 I312L216-V291 CarbonylContact C-O 3.35Å; L216-V291 WeakPolarHBondContact CA-O 3.41Å; F217-V291 HydrophobicContact CB-CB 4.4Å; F217-V291 PolarHBondContact N-O 2.7Å; F217-V291 PolarHBondContact O-N 3.06Å; V264-V291 VanDerWaalsContact O-CA 3.31Å; V264-V291 WeakPolarHBondContact O-CA 3.34Å; I265-V291 HydrophobicContact CG2-CG2 4.36Å; I289-V291 HydrophobicContact CD1-CG2 4.09Å; I289-V291 HydrophobicContact CG1-CG2 4.27Å; V291-I293 HydrophobicContact CG1-CD1 4.26Å; V291-I293 HydrophobicContact CG1-CG1 4.2Å; V291-V305 HydrophobicContact CG1-CG1 4.47Å; V291-V305 HydrophobicContact CG1-CG2 4.49Å; V291-C308 HydrophobicContact CG1-CB 3.97Å; V291-V309 HydrophobicContact CB-CG2 4.3Å; V291-V309 HydrophobicContact CG2-CG2 4.01Å; V291-I312 HydrophobicContact CG2-CD1 4.15Å
292A97.7Very high95.8Very high0 Ų039 Ų390%022%0.216CC..EExtended strand (participates in β ladder)trans-128.9134.7174.900000110.3V202 V206 F215 L216 I263 V264V202-A292 HydrophobicContact CG1-CB 3.28Å; V206-A292 HydrophobicContact CG1-CB 3.91Å; V206-A292 HydrophobicContact CG2-CB 4.17Å; F215-A292 WeakPolarHBondContact O-CA 3.14Å; L216-A292 HydrophobicContact CD1-CB 3.62Å; I263-A292 CarbonylContact C-O 3.49Å; V264-A292 HydrophobicContact CB-CB 4.25Å; V264-A292 PolarHBondContact N-O 3.38Å; V264-A292 PolarHBondContact O-N 3.33Å
293I98.4Very high96.2Very high0 Ų041.4 Ų41.40%023%0.233CC..EExtended strand (participates in β ladder)trans-138.4133.5-179-57.8-176.1000109.1F215 I253 I260 K262 I263 V291 A304 V305 C308F215-I293 PolarHBondContact N-O 2.99Å; F215-I293 PolarHBondContact O-N 3.25Å; I253-I293 HydrophobicContact CD1-CD1 4.18Å; I260-I293 HydrophobicContact CB-CG2 4.45Å; I260-I293 HydrophobicContact CD1-CG2 3.56Å; I260-I293 HydrophobicContact CG1-CG2 4.17Å; I260-I293 HydrophobicContact CG2-CG2 3.52Å; K262-I293 WeakPolarHBondContact O-CA 3.2Å; I263-I293 HydrophobicContact CG1-CD1 4.48Å; I263-I293 HydrophobicContact CG1-CG1 4.31Å; I263-I293 HydrophobicContact CG1-CG2 4.29Å; I263-I293 HydrophobicContact CG2-CD1 4.32Å; I263-I293 HydrophobicContact CG2-CG1 4.15Å; V291-I293 HydrophobicContact CG1-CD1 4.26Å; V291-I293 HydrophobicContact CG1-CG1 4.2Å; I293-A304 HydrophobicContact CD1-CB 3.77Å; I293-A304 HydrophobicContact CG2-CB 4.19Å; I293-V305 HydrophobicContact CB-CG2 3.83Å; I293-V305 HydrophobicContact CD1-CG2 3.95Å; I293-V305 HydrophobicContact CG1-CG2 3.84Å; I293-C308 HydrophobicContact CD1-CB 4.33Å
294S98.1Very high96.6Very high0 Ų039.3 Ų39.30%022%0.218CC..EExtended strand (participates in β ladder)trans-112.1150.6176.369.40000112.6V206 D211 A213 D261 K262V206-S294 WeakPolarHBondContact O-CB 3.43Å; V206-S294 PolarHBondContact O-OG 2.98Å; D211-S294 WeakPolarHBondContact OD2-CB 3.42Å; D211-S294 PolarHBondContact OD2-OG 3.1Å; A213-S294 VanDerWaalsContact O-CA 3.26Å; A213-S294 WeakPolarHBondContact O-CA 3.16Å; D261-S294 PolarHBondContact N-O 3.08Å; K262-S294 WeakPolarHBondContact CB-OG 3.29Å; K262-S294 PolarHBondContact N-OG 3.37Å; K262-S294 VanDerWaalsContact N-OG 3.13Å; K262-S294 PolarHBondContact O-N 3.21Å
295S98Very high97Very high0 Ų037.4 Ų37.40%021%0.206CC..EExtended strand (participates in β ladder)trans-160.2165173.152.30000111.6D211 G212 A213 H297 A301D211-S295 VanDerWaalsContact OD1-CA 3.29Å; D211-S295 WeakPolarHBondContact OD1-CA 3.31Å; G212-S295 PolarHBondContact N-O 2.83Å; A213-S295 WeakPolarHBondContact CB-O 3.17Å; A213-S295 PolarHBondContact N-O 3.08Å; A213-S295 PolarHBondContact O-N 3.01Å; S295-H297 PolarHBondContact O-N 3.25Å; S295-H297 PolarHBondContact OG-O 2.93Å; S295-A301 VanDerWaalsContact OG-CB 3.26Å; S295-A301 WeakPolarHBondContact OG-CB 3.44Å; S295-A301 PolarHBondContact OG-N 3.41Å
296P98Very high97.2Very high52 Ų5241.1 Ų41.134%0.33821%0.208SC..SBendtrans-58.1-33.4176-29.237.1000113.8D211 G212 P259D211-P296 WeakPolarHBondContact OD1-CD 3.14Å; G212-P296 PolarHBondContact N-O 3.28Å; P259-P296 WeakPolarHBondContact O-CD 3.49Å
297H97.3Very high97.5Very high133 Ų13342 Ų4262%0.61621%0.21SC*.SBendtrans-130156.5-177.6-60.3-38.2000111.9A213 S295 E300A213-H297 WeakPolarHBondContact CB-O 3.15Å; S295-H297 PolarHBondContact O-N 3.25Å; S295-H297 PolarHBondContact OG-O 2.93Å; H297-E300 WeakPolarHBondContact CB-OE2 3.5Å
298R97.2Very high97.7Very high181 Ų18139.7 Ų39.768%0.68320%0.199SC*.Hα-helixtrans-73.9-28.6-169.965.3179.2-178.9-83.1-3.3115.3A213 F215 E300 I302A213-R298 HydrophobicContact CB-CB 4.08Å; F215-R298 HydrophobicContact CE2-CB 3.64Å; F215-R298 HydrophobicContact CZ-CB 3.98Å; R298-E300 VanDerWaalsContact C-N 3.34Å; R298-E300 PolarHBondContact O-N 3.1Å; R298-I302 HydrophobicContact CB-CD1 4.36Å; R298-I302 WeakPolarHBondContact O-CD1 3.45Å; R298-I302 WeakPolarHBondContact O-CG1 3.44Å; R298-I302 PolarHBondContact O-N 3.22Å
299A97.4Very high97.8Very high58 Ų5840.5 Ų40.548%0.47920%0.204SC..Hα-helixtrans-66.4-40.3-168.400000111.7S303A299-S303 PolarHBondContact O-N 3.45Å; A299-S303 PolarHBondContact O-OG 3.22Å
300E97.3Very high97.8Very high50 Ų5043.1 Ų43.123%0.23422%0.215CC..Hα-helixtrans-67.7-52179.2-6179.8-179.700110.5W257 P259 I260 H297 R298 I302 S303 A304W257-E300 HydrophobicContact CB-CB 4.43Å; P259-E300 HydrophobicContact CB-CG 4.5Å; P259-E300 HydrophobicContact CG-CG 4.43Å; I260-E300 HydrophobicContact CD1-CB 4.01Å; H297-E300 WeakPolarHBondContact CB-OE2 3.5Å; R298-E300 VanDerWaalsContact C-N 3.34Å; R298-E300 PolarHBondContact O-N 3.1Å; E300-I302 PolarHBondContact O-N 2.9Å; E300-S303 PolarHBondContact O-N 2.96Å; E300-A304 VanDerWaalsContact O-CB 3.24Å; E300-A304 WeakPolarHBondContact O-CB 3.45Å; E300-A304 PolarHBondContact O-N 3.47Å
301A97.6Very high97.9Very high0 Ų043.5 Ų43.50%022%0.218CC..Hα-helixtrans-60-41.9178.900000113.1A213 F215 S295 S303 A304 V305A213-A301 HydrophobicContact CB-CB 4.47Å; F215-A301 HydrophobicContact CB-CB 4.22Å; F215-A301 HydrophobicContact CD2-CB 3.55Å; F215-A301 HydrophobicContact CE2-CB 4.4Å; F215-A301 HydrophobicContact CG-CB 4.24Å; S295-A301 VanDerWaalsContact OG-CB 3.26Å; S295-A301 WeakPolarHBondContact OG-CB 3.44Å; S295-A301 PolarHBondContact OG-N 3.41Å; A301-S303 PolarHBondContact O-N 2.94Å; A301-A304 PolarHBondContact O-N 2.91Å; A301-V305 VanDerWaalsContact O-CG2 3.32Å; A301-V305 WeakPolarHBondContact O-CG2 3.42Å; A301-V305 PolarHBondContact O-N 3.35Å
302I98Very high97.8Very high73 Ų7344.1 Ų44.137%0.37422%0.221SC..Hα-helixtrans-57.1-53.3175.5-69.7163.7000110.4F215 R298 E300 A304 V305 E306F215-I302 HydrophobicContact CD1-CG1 3.51Å; F215-I302 HydrophobicContact CD2-CG1 3.97Å; F215-I302 HydrophobicContact CE1-CD1 3.73Å; F215-I302 HydrophobicContact CE1-CG1 3.2Å; F215-I302 HydrophobicContact CE2-CD1 4.17Å; F215-I302 HydrophobicContact CE2-CG1 3.69Å; F215-I302 HydrophobicContact CG-CG1 3.89Å; F215-I302 HydrophobicContact CZ-CD1 3.53Å; F215-I302 HydrophobicContact CZ-CG1 3.3Å; R298-I302 HydrophobicContact CB-CD1 4.36Å; R298-I302 WeakPolarHBondContact O-CD1 3.45Å; R298-I302 WeakPolarHBondContact O-CG1 3.44Å; R298-I302 PolarHBondContact O-N 3.22Å; E300-I302 PolarHBondContact O-N 2.9Å; I302-A304 VanDerWaalsContact C-N 3.34Å; I302-A304 PolarHBondContact O-N 2.91Å; I302-V305 PolarHBondContact O-N 3.03Å; I302-E306 PolarHBondContact O-N 2.79Å
303S98.2Very high97.6Very high50 Ų5051.9 Ų51.935%0.3526%0.255SS..Hα-helixtrans-64.6-40.4-175.8-54.20000111.6A299 E300 A301 Y307A299-S303 PolarHBondContact O-N 3.45Å; A299-S303 PolarHBondContact O-OG 3.22Å; E300-S303 PolarHBondContact O-N 2.96Å; A301-S303 PolarHBondContact O-N 2.94Å; S303-Y307 VanDerWaalsContact O-CB 3.32Å; S303-Y307 WeakPolarHBondContact O-CB 3.36Å; S303-Y307 PolarHBondContact O-N 3.25Å
304A98.5Very high97.3Very high0 Ų058.7 Ų58.70%028%0.284CS..Hα-helixtrans-65.6-40.5179.200000112.4I253 W257 I260 I293 E300 A301 I302 C308I253-A304 HydrophobicContact CG2-CB 3.85Å; W257-A304 HydrophobicContact CD2-CB 4.24Å; W257-A304 HydrophobicContact CE3-CB 3.95Å; W257-A304 HydrophobicContact CZ3-CB 4.39Å; I260-A304 HydrophobicContact CD1-CB 3.93Å; I260-A304 HydrophobicContact CG1-CB 4.15Å; I293-A304 HydrophobicContact CD1-CB 3.77Å; I293-A304 HydrophobicContact CG2-CB 4.19Å; E300-A304 VanDerWaalsContact O-CB 3.24Å; E300-A304 WeakPolarHBondContact O-CB 3.45Å; E300-A304 PolarHBondContact O-N 3.47Å; A301-A304 PolarHBondContact O-N 2.91Å; I302-A304 VanDerWaalsContact C-N 3.34Å; I302-A304 PolarHBondContact O-N 2.91Å; A304-C308 WeakPolarHBondContact O-CB 3.47Å; A304-C308 PolarHBondContact O-N 2.97Å
305V98.4Very high97Very high13 Ų1362.6 Ų62.68%0.07930%0.303CS..Hα-helixtrans-64.9-47.5178.5168.70000110.9F215 F217 V291 I293 A301 I302 Y307 C308 V309F215-V305 HydrophobicContact CB-CG2 3.84Å; F217-V305 HydrophobicContact CB-CG1 3.6Å; V291-V305 HydrophobicContact CG1-CG1 4.47Å; V291-V305 HydrophobicContact CG1-CG2 4.49Å; I293-V305 HydrophobicContact CB-CG2 3.83Å; I293-V305 HydrophobicContact CD1-CG2 3.95Å; I293-V305 HydrophobicContact CG1-CG2 3.84Å; A301-V305 VanDerWaalsContact O-CG2 3.32Å; A301-V305 WeakPolarHBondContact O-CG2 3.42Å; A301-V305 PolarHBondContact O-N 3.35Å; I302-V305 PolarHBondContact O-N 3.03Å; V305-Y307 PolarHBondContact O-N 3.41Å; V305-C308 WeakPolarHBondContact O-CB 3.36Å; V305-C308 PolarHBondContact O-N 3.17Å; V305-V309 WeakPolarHBondContact O-CG2 3.44Å; V305-V309 PolarHBondContact O-N 3.05Å
306E98Very high96.8Very high136 Ų13663 Ų6364%0.63631%0.305SS*.Hα-helixtrans-59.8-48.9177.7-176.9175.4-173.800111.1I302 C308 V309 E310I302-E306 PolarHBondContact O-N 2.79Å; E306-C308 VanDerWaalsContact C-N 3.31Å; E306-C308 PolarHBondContact O-N 2.63Å; E306-V309 PolarHBondContact O-N 2.89Å; E306-E310 WeakPolarHBondContact O-CB 3.31Å; E306-E310 PolarHBondContact O-N 3.17Å
307Y98.6Very high96.5Very high62 Ų6260.7 Ų60.724%0.24329%0.29CS..Hα-helixtrans-57.6-43.9176.2177.4-89.2000112.1Q252 I253 L256 W257 S303 V305 T311Q252-Y307 HydrophobicContact CB-CE1 4.25Å; Q252-Y307 PolarHBondContact OE1-OH 2.74Å; I253-Y307 HydrophobicContact CD1-CD1 4.38Å; I253-Y307 HydrophobicContact CG1-CD1 3.67Å; I253-Y307 HydrophobicContact CG1-CE1 4Å; L256-Y307 HydrophobicContact CD1-CD2 4.27Å; L256-Y307 HydrophobicContact CD1-CE1 4.18Å; L256-Y307 HydrophobicContact CD1-CE2 3.82Å; W257-Y307 HydrophobicContact CH2-CD1 4.28Å; W257-Y307 HydrophobicContact CH2-CD2 4.01Å; W257-Y307 AromaticContact CH2-CG 3.68Å; W257-Y307 HydrophobicContact CH2-CG 3.68Å; W257-Y307 AromaticContact CZ3-CD1 3.89Å; W257-Y307 HydrophobicContact CZ3-CD1 3.89Å; W257-Y307 HydrophobicContact CZ3-CD2 4.39Å; W257-Y307 AromaticContact CZ3-CG 3.78Å; W257-Y307 HydrophobicContact CZ3-CG 3.78Å; S303-Y307 VanDerWaalsContact O-CB 3.32Å; S303-Y307 WeakPolarHBondContact O-CB 3.36Å; S303-Y307 PolarHBondContact O-N 3.25Å; V305-Y307 PolarHBondContact O-N 3.41Å; Y307-T311 WeakPolarHBondContact O-CB 3.42Å; Y307-T311 PolarHBondContact O-N 3.06Å; Y307-T311 PolarHBondContact O-OG1 2.74Å
308C98.4Very high96.2Very high0 Ų055.6 Ų55.60%027%0.267CS..Hα-helixtrans-58.1-53.1179.7-170.70000111.1I253 V291 I293 A304 V305 E306 E310 T311 I312I253-C308 HydrophobicContact CD1-CB 3.61Å; V291-C308 HydrophobicContact CG1-CB 3.97Å; I293-C308 HydrophobicContact CD1-CB 4.33Å; A304-C308 WeakPolarHBondContact O-CB 3.47Å; A304-C308 PolarHBondContact O-N 2.97Å; V305-C308 WeakPolarHBondContact O-CB 3.36Å; V305-C308 PolarHBondContact O-N 3.17Å; E306-C308 VanDerWaalsContact C-N 3.31Å; E306-C308 PolarHBondContact O-N 2.63Å; C308-E310 PolarHBondContact O-N 2.99Å; C308-T311 PolarHBondContact O-N 2.99Å; C308-I312 WeakPolarHBondContact O-CB 3.3Å; C308-I312 WeakPolarHBondContact O-CG1 3.44Å; C308-I312 PolarHBondContact O-N 2.87Å
309V97.5Very high95.8Very high25 Ų2549.1 Ų49.115%0.15224%0.242CC..Hα-helixtrans-62.8-46.1-177.41750000111.3F217 V291 V305 E306 T311 I312 K313F217-V309 HydrophobicContact CB-CG2 3.97Å; F217-V309 HydrophobicContact CD1-CB 4.44Å; F217-V309 HydrophobicContact CD1-CG1 4.16Å; F217-V309 HydrophobicContact CD1-CG2 3.36Å; F217-V309 HydrophobicContact CD2-CG2 4.36Å; F217-V309 HydrophobicContact CE1-CG1 3.78Å; F217-V309 HydrophobicContact CE1-CG2 3.87Å; F217-V309 HydrophobicContact CG-CG2 3.63Å; F217-V309 HydrophobicContact CZ-CG1 3.97Å; V291-V309 HydrophobicContact CB-CG2 4.3Å; V291-V309 HydrophobicContact CG2-CG2 4.01Å; V305-V309 WeakPolarHBondContact O-CG2 3.44Å; V305-V309 PolarHBondContact O-N 3.05Å; E306-V309 PolarHBondContact O-N 2.89Å; V309-T311 VanDerWaalsContact C-N 3.32Å; V309-T311 PolarHBondContact O-N 2.66Å; V309-I312 PolarHBondContact O-N 3.26Å; V309-K313 WeakPolarHBondContact O-CB 3.49Å; V309-K313 PolarHBondContact O-N 3.11Å; V309-K313 VanDerWaalsContact O-N 3.1Å
310E97.1Very high95.3Very high72 Ų7250.1 Ų50.134%0.33624%0.236SC..Hα-helixtrans-65.1-36.7178.9-75.6-59.1129.200112.3E306 C308 K314E306-E310 WeakPolarHBondContact O-CB 3.31Å; E306-E310 PolarHBondContact O-N 3.17Å; C308-E310 PolarHBondContact O-N 2.99Å; E310-K314 WeakPolarHBondContact O-CD 3.42Å; E310-K314 VanDerWaalsContact O-CG 3.23Å; E310-K314 WeakPolarHBondContact O-CG 3.11Å; E310-K314 PolarHBondContact O-N 3.03Å; E310-K314 IonicContact OE2-NZ 3.52Å
311T97.3Very high94.6Very high9 Ų949 Ų496%0.05523%0.23CC..Hα-helixtrans-72.4-42.1178.6-55.50000111.5V249 Y307 C308 V309 K313 K314 Q315V249-T311 HydrophobicContact CG2-CG2 3.66Å; Y307-T311 WeakPolarHBondContact O-CB 3.42Å; Y307-T311 PolarHBondContact O-N 3.06Å; Y307-T311 PolarHBondContact O-OG1 2.74Å; C308-T311 PolarHBondContact O-N 2.99Å; V309-T311 VanDerWaalsContact C-N 3.32Å; V309-T311 PolarHBondContact O-N 2.66Å; T311-K313 VanDerWaalsContact C-N 3.33Å; T311-K313 PolarHBondContact O-N 2.93Å; T311-K314 PolarHBondContact O-N 3.38Å; T311-Q315 HydrophobicContact CG2-CG 4.23Å; T311-Q315 WeakPolarHBondContact O-CB 3.36Å; T311-Q315 PolarHBondContact O-N 3.33Å
312I96.1Very high93.7Very high13 Ų1350.7 Ų50.77%0.06724%0.239CC..Hα-helixtrans-55.7-51.1174.8-71.3166.2000110.2L246 I265 I289 V291 C308 V309 K314 Q315 V316L246-I312 HydrophobicContact CD2-CD1 4.02Å; L246-I312 HydrophobicContact CD2-CG1 3.8Å; I265-I312 HydrophobicContact CD1-CD1 4.19Å; I265-I312 HydrophobicContact CG1-CD1 4.42Å; I265-I312 HydrophobicContact CG2-CD1 3.69Å; I289-I312 HydrophobicContact CD1-CD1 4.11Å; I289-I312 HydrophobicContact CD1-CG2 4.35Å; V291-I312 HydrophobicContact CG2-CD1 4.15Å; C308-I312 WeakPolarHBondContact O-CB 3.3Å; C308-I312 WeakPolarHBondContact O-CG1 3.44Å; C308-I312 PolarHBondContact O-N 2.87Å; V309-I312 PolarHBondContact O-N 3.26Å; I312-K314 PolarHBondContact O-N 3.27Å; I312-Q315 PolarHBondContact O-N 3.06Å; I312-V316 HydrophobicContact CB-CG2 4.29Å; I312-V316 HydrophobicContact CG1-CG2 4.29Å; I312-V316 HydrophobicContact CG2-CB 4.19Å; I312-V316 HydrophobicContact CG2-CG2 4.25Å; I312-V316 WeakPolarHBondContact O-CB 2.99Å; I312-V316 PolarHBondContact O-N 3.17Å
313K93.5Very high92.7Very high163 Ų16347.3 Ų47.371%0.70922%0.222SC*.Hα-helixtrans-59.8-32.7-178.8-176.3-178.7173.8-168.30113.1V309 T311V309-K313 WeakPolarHBondContact O-CB 3.49Å; V309-K313 PolarHBondContact O-N 3.11Å; V309-K313 VanDerWaalsContact O-N 3.1Å; T311-K313 VanDerWaalsContact C-N 3.33Å; T311-K313 PolarHBondContact O-N 2.93Å
314K92.5Very high91.7Very high143 Ų14346.7 Ų46.762%0.62221%0.213SC*.Hα-helixtrans-83.6-38.2-178.9-72.3168.9-171.31690113E310 T311 I312E310-K314 WeakPolarHBondContact O-CD 3.42Å; E310-K314 VanDerWaalsContact O-CG 3.23Å; E310-K314 WeakPolarHBondContact O-CG 3.11Å; E310-K314 PolarHBondContact O-N 3.03Å; E310-K314 IonicContact OE2-NZ 3.52Å; T311-K314 PolarHBondContact O-N 3.38Å; I312-K314 PolarHBondContact O-N 3.27Å
315Q91.1Very high90.3Very high82 Ų8251.7 Ų51.738%0.38324%0.235SC..Hα-helixtrans-115.9-26.8-162.2-59.4-176.56.700114.4Q245 T311 I312Q245-Q315 VanDerWaalsContact CD-O 3.3Å; Q245-Q315 PolarHBondContact NE2-O 2.75Å; Q245-Q315 PolarHBondContact OE1-O 3.2Å; T311-Q315 HydrophobicContact CG2-CG 4.23Å; T311-Q315 WeakPolarHBondContact O-CB 3.36Å; T311-Q315 PolarHBondContact O-N 3.33Å; I312-Q315 PolarHBondContact O-N 3.06Å
316V93.9Very high88.6Confident9 Ų952.2 Ų52.26%0.05524%0.241CC..SBendtrans-90.6130.4-169.4-176.50000110.6A242 Q245 L246 I312 I318A242-V316 HydrophobicContact CB-CG1 3.94Å; Q245-V316 HydrophobicContact CB-CG2 4.11Å; L246-V316 HydrophobicContact CD1-CG1 4.4Å; L246-V316 HydrophobicContact CD2-CG1 4.16Å; L246-V316 HydrophobicContact CD2-CG2 3.96Å; L246-V316 HydrophobicContact CG-CG1 3.95Å; L246-V316 HydrophobicContact CG-CG2 4.24Å; I312-V316 HydrophobicContact CB-CG2 4.29Å; I312-V316 HydrophobicContact CG1-CG2 4.29Å; I312-V316 HydrophobicContact CG2-CB 4.19Å; I312-V316 HydrophobicContact CG2-CG2 4.25Å; I312-V316 WeakPolarHBondContact O-CB 2.99Å; I312-V316 PolarHBondContact O-N 3.17Å; V316-I318 HydrophobicContact CG1-CD1 3.67Å; V316-I318 HydrophobicContact CG1-CG1 3.88Å; V316-I318 PolarHBondContact O-N 2.76Å
317P92.6Very high86.9Confident2 Ų252.2 Ų52.21%0.01324%0.244CC..  trans-77.764-175.733.4-42000110.7A237 Y238 M241 A242 W319A237-P317 WeakPolarHBondContact CA-O 3.17Å; Y238-P317 PolarHBondContact N-O 2.97Å; Y238-P317 VanDerWaalsContact N-O 3.15Å; M241-P317 HydrophobicContact CB-CG 4.05Å; M241-P317 HydrophobicContact CE-CB 3.53Å; M241-P317 HydrophobicContact CE-CG 3.47Å; M241-P317 VanDerWaalsContact CE-CG 3.47Å; M241-P317 HydrophobicContact CG-CG 4.02Å; A242-P317 HydrophobicContact CB-CG 4Å; P317-W319 HydrophobicContact CB-CH2 3.3Å; P317-W319 HydrophobicContact CB-CZ2 3.63Å; P317-W319 HydrophobicContact CB-CZ3 3.82Å; P317-W319 VanDerWaalsContact O-CZ3 3.28Å; P317-W319 WeakPolarHBondContact O-CZ3 3.5Å
318I91.6Very high85.3Confident27 Ų2754 Ų5414%0.13825%0.251CS..EExtended strand (participates in β ladder)trans-118.2113.2169.9-60.5164.6000106.5L192 Y235 E236 A237 A242 H267 L269 V316L192-I318 HydrophobicContact CD2-CD1 3.97Å; Y235-I318 HydrophobicContact CD1-CG2 4.15Å; E236-I318 CarbonylContact O-C 3.55Å; E236-I318 WeakPolarHBondContact O-CA 3.47Å; A237-I318 HydrophobicContact CB-CG1 3.88Å; A242-I318 HydrophobicContact CB-CG1 4.14Å; H267-I318 HydrophobicContact CB-CD1 4.29Å; L269-I318 HydrophobicContact CD2-CG2 4.08Å; V316-I318 HydrophobicContact CG1-CD1 3.67Å; V316-I318 HydrophobicContact CG1-CG1 3.88Å; V316-I318 PolarHBondContact O-N 2.76Å
319W87.7Confident83.7Confident44 Ų4466.8 Ų66.817%0.16730%0.299CS..EExtended strand (participates in β ladder)trans-107.2150.8-176.8-58-86.8000110.3Y235 E236 P317 Y339 W346 N349Y235-W319 CarbonylContact C-O 3.53Å; Y235-W319 VanDerWaalsContact CA-O 3.27Å; Y235-W319 WeakPolarHBondContact CA-O 3.21Å; E236-W319 PolarHBondContact N-O 3.16Å; E236-W319 PolarHBondContact O-N 3.35Å; P317-W319 HydrophobicContact CB-CH2 3.3Å; P317-W319 HydrophobicContact CB-CZ2 3.63Å; P317-W319 HydrophobicContact CB-CZ3 3.82Å; P317-W319 VanDerWaalsContact O-CZ3 3.28Å; P317-W319 WeakPolarHBondContact O-CZ3 3.5Å; W319-Y339 HydrophobicContact CB-CD1 4.38Å; W319-Y339 HydrophobicContact CB-CE1 4.2Å; W319-W346 AromaticContact CH2-NE1 3.94Å; W319-W346 AromaticContact CZ3-NE1 3.97Å; W319-N349 PolarHBondContact NE1-OD1 3.35Å; W319-N349 VanDerWaalsContact NE1-OD1 3.14Å
320K87.6Confident82.6Confident79 Ų7970.8 Ų70.834%0.34333%0.327SS..EExtended strand (participates in β ladder)trans-115.6133.9173.765.3-174.2-177.2-178.70110.2L233 Y234 Y235 N340L233-K320 HydrophobicContact CD1-CD 4.11Å; Y234-K320 CarbonylContact O-C 3.58Å; Y234-K320 WeakPolarHBondContact O-CA 3.03Å; Y235-K320 HydrophobicContact CD1-CB 3.85Å; Y235-K320 HydrophobicContact CE1-CB 3.68Å; Y235-K320 HydrophobicContact CE1-CD 4.41Å; K320-N340 VanDerWaalsContact CE-CG 3.45Å; K320-N340 WeakPolarHBondContact CE-ND2 3.45Å; K320-N340 WeakPolarHBondContact CE-OD1 3.42Å; K320-N340 WeakPolarHBondContact CG-ND2 3.34Å; K320-N340 VanDerWaalsContact CG-OD1 3.26Å; K320-N340 WeakPolarHBondContact CG-OD1 3.41Å
321K82.8Confident81.2Confident26 Ų2670 Ų7011%0.11334%0.337CS..EExtended strand (participates in β ladder)trans-99.7134.3163-64175.4178165.50108.6L233 Y234 E236 A338 Y339L233-K321 WeakPolarHBondContact CA-O 3.36Å; Y234-K321 HydrophobicContact CD1-CD 4.15Å; Y234-K321 PolarHBondContact N-O 3.14Å; Y234-K321 PolarHBondContact O-N 2.91Å; E236-K321 IonicContact OE1-NZ 3.62Å; E236-K321 PolarHBondContact OE1-NZ 3.33Å; E236-K321 WeakPolarHBondContact OE2-CE 3.28Å; E236-K321 IonicContact OE2-NZ 3.79Å; E236-K321 PolarHBondContact OE2-NZ 3.33Å; K321-A338 CarbonylContact C-O 3.59Å; K321-A338 VanDerWaalsContact CA-O 3.25Å; K321-A338 WeakPolarHBondContact CA-O 3.42Å; K321-Y339 HydrophobicContact CD-CE1 4.19Å; K321-Y339 HydrophobicContact CD-CE2 4.41Å; K321-Y339 WeakPolarHBondContact CE-OH 3.35Å; K321-Y339 HydrophobicContact CG-CD1 3.66Å; K321-Y339 HydrophobicContact CG-CD2 4.41Å; K321-Y339 HydrophobicContact CG-CE1 3.66Å; K321-Y339 HydrophobicContact CG-CE2 4.4Å; K321-Y339 HydrophobicContact CG-CG 4.06Å; K321-Y339 PolarHBondContact NZ-OH 3.36Å; K321-Y339 VanDerWaalsContact NZ-OH 3.07Å
322L79.4Confident79.8Confident37 Ų3771.3 Ų71.319%0.19435%0.349CS..EExtended strand (participates in β ladder)trans-90.6130.1173.8-60.287.2000108.5V230 L233 F324 E337 A338 N340V230-L322 HydrophobicContact CG2-CD2 4.06Å; L233-L322 HydrophobicContact CD2-CB 4.16Å; L233-L322 HydrophobicContact CD2-CD2 4.43Å; L233-L322 HydrophobicContact CD2-CG 3.75Å; L322-F324 HydrophobicContact CB-CD2 4.12Å; L322-F324 HydrophobicContact CB-CE1 4.29Å; L322-F324 HydrophobicContact CB-CE2 3.29Å; L322-F324 HydrophobicContact CB-CZ 3.42Å; L322-F324 VanDerWaalsContact CB-CZ 3.42Å; L322-F324 HydrophobicContact CD2-CE1 4.24Å; L322-F324 HydrophobicContact CD2-CE2 4.3Å; L322-F324 HydrophobicContact CD2-CZ 3.56Å; L322-F324 HydrophobicContact CG-CE2 4.35Å; L322-F324 HydrophobicContact CG-CZ 4.09Å; L322-E337 CarbonylContact O-C 3.52Å; L322-E337 WeakPolarHBondContact O-CA 3.44Å; L322-A338 PolarHBondContact N-O 2.93Å; L322-A338 PolarHBondContact O-N 3.42Å; L322-N340 VanDerWaalsContact CD1-OD1 3.31Å; L322-N340 WeakPolarHBondContact CD1-OD1 3.46Å
323S76.5Confident78.1Confident1 Ų174.7 Ų74.71%0.00737%0.371CS..EExtended strand (participates in β ladder)trans-105.8132.2169.4-170.70000110.8V230 V231 Y232 K336V230-S323 WeakPolarHBondContact CA-O 3.24Å; V231-S323 PolarHBondContact N-O 3.24Å; Y232-S323 VanDerWaalsContact CE1-CB 3.42Å; Y232-S323 WeakPolarHBondContact CE1-OG 3.37Å; Y232-S323 PolarHBondContact O-N 2.6Å; Y232-S323 WeakPolarHBondContact OH-CB 3.37Å; Y232-S323 PolarHBondContact OH-OG 3.41Å; S323-K336 VanDerWaalsContact CA-O 3.32Å; S323-K336 WeakPolarHBondContact CA-O 3.48Å
324F76.1Confident76.9Confident37 Ų3774.9 Ų74.916%0.16237%0.367CS..EExtended strand (participates in β ladder)trans-130.8151.6-176.3-51.9-90.2000111.8P228 E229 V230 L322 S335 K336P228-F324 HydrophobicContact CB-CB 3.85Å; P228-F324 HydrophobicContact CB-CD1 4.32Å; P228-F324 HydrophobicContact CB-CG 4.39Å; P228-F324 HydrophobicContact CG-CB 3.67Å; P228-F324 HydrophobicContact CG-CD1 3.77Å; P228-F324 HydrophobicContact CG-CE1 4.4Å; P228-F324 HydrophobicContact CG-CG 3.78Å; P228-F324 WeakPolarHBondContact O-CD1 3.44Å; E229-F324 VanDerWaalsContact O-CA 3.3Å; E229-F324 WeakPolarHBondContact O-CA 3.46Å; V230-F324 HydrophobicContact CB-CD1 4.37Å; V230-F324 HydrophobicContact CB-CE1 4.36Å; V230-F324 HydrophobicContact CG2-CD1 3.67Å; V230-F324 HydrophobicContact CG2-CE1 3.22Å; V230-F324 HydrophobicContact CG2-CZ 4.01Å; L322-F324 HydrophobicContact CB-CD2 4.12Å; L322-F324 HydrophobicContact CB-CE1 4.29Å; L322-F324 HydrophobicContact CB-CE2 3.29Å; L322-F324 HydrophobicContact CB-CZ 3.42Å; L322-F324 VanDerWaalsContact CB-CZ 3.42Å; L322-F324 HydrophobicContact CD2-CE1 4.24Å; L322-F324 HydrophobicContact CD2-CE2 4.3Å; L322-F324 HydrophobicContact CD2-CZ 3.56Å; L322-F324 HydrophobicContact CG-CE2 4.35Å; L322-F324 HydrophobicContact CG-CZ 4.09Å; F324-S335 CarbonylContact O-C 3.56Å; F324-S335 VanDerWaalsContact O-CA 3.27Å; F324-S335 WeakPolarHBondContact O-CA 3.27Å; F324-K336 PolarHBondContact N-O 2.85Å; F324-K336 PolarHBondContact O-N 3.1Å
325F70.3Confident75.4Confident106 Ų10671.9 Ų71.947%0.46536%0.364SS..EExtended strand (participates in β ladder)trans-80.9114.7163.2-71.4-64.4000110.2P228 V231 V333P228-F325 VanDerWaalsContact CB-O 3.26Å; P228-F325 WeakPolarHBondContact CB-O 3.35Å; V231-F325 HydrophobicContact CB-CE2 4.26Å; V231-F325 HydrophobicContact CG1-CE2 4.01Å; V231-F325 HydrophobicContact CG1-CZ 4.42Å; V231-F325 HydrophobicContact CG2-CD2 3.23Å; V231-F325 HydrophobicContact CG2-CE2 3.22Å; V231-F325 HydrophobicContact CG2-CG 4.07Å; V231-F325 HydrophobicContact CG2-CZ 4.04Å; F325-V333 HydrophobicContact CB-CG1 3.86Å; F325-V333 HydrophobicContact CD1-CG1 3.77Å; F325-V333 HydrophobicContact CG-CG1 4.13Å
326A62.6Low74.3Confident24 Ų2474.2 Ų74.220%0.19837%0.373CS..EExtended strand (participates in β ladder)trans-94.1122.5171.400000109.9Y328 V333 R334A326-Y328 HydrophobicContact CB-CE2 4.04Å; A326-V333 CarbonylContact O-C 3.6Å; A326-V333 VanDerWaalsContact O-CA 3.32Å; A326-V333 WeakPolarHBondContact O-CA 3.42Å; A326-R334 PolarHBondContact N-O 2.9Å; A326-R334 PolarHBondContact O-N 3.42Å
327I62.3Low72.9Confident135 Ų13576.4 Ų76.469%0.69238%0.382SS*.EExtended strand (participates in β ladder)trans-91.3116.1170.3-51.1178.6000107.6V333I327-V333 HydrophobicContact CG1-CG2 4.16Å
328Y64.1Low71.7Confident101 Ų10177.1 Ų77.140%0.39639%0.389SS..PPolyproline II helixtrans-82157.5178.1-68.7-98.6000110.4A326 C330 G331 A332 R334A326-Y328 HydrophobicContact CB-CE2 4.04Å; Y328-C330 PolarHBondContact O-N 2.97Å; Y328-G331 PolarHBondContact O-N 3.37Å; Y328-A332 WeakPolarHBondContact CD2-O 3.37Å; Y328-A332 PolarHBondContact N-O 3.35Å; Y328-R334 HydrophobicContact CD2-CG 4.24Å; Y328-R334 HydrophobicContact CE2-CB 3.72Å; Y328-R334 HydrophobicContact CE2-CG 3.72Å
329R65.8Low70.4Confident268 Ų26876.8 Ų76.8100%1.01139%0.386SS*.THydrogen-bonded Turntrans-53.3-24.9177.2-82.7-174.7174.7176.9-1.4114G331R329-G331 VanDerWaalsContact C-N 3.29Å; R329-G331 PolarHBondContact O-N 3.01Å
330C73.1Confident68.9Low109 Ų10979.7 Ų79.774%0.73641%0.405SS*.THydrogen-bonded Turntrans-82.85.1175.360.80000114.6Y328 A332Y328-C330 PolarHBondContact O-N 2.97Å; C330-A332 VanDerWaalsContact C-N 3.26Å; C330-A332 PolarHBondContact O-N 3.5Å
331G68.2Low67.6Low54 Ų5480.9 Ų80.956%0.55742%0.415SS*.SBendtrans82.5-8.9-176.300000114.8Y328 R329 V333Y328-G331 PolarHBondContact O-N 3.37Å; R329-G331 VanDerWaalsContact C-N 3.29Å; R329-G331 PolarHBondContact O-N 3.01Å; G331-V333 PolarHBondContact O-N 3.33Å
332A67.2Low66.1Low37 Ų3782.4 Ų82.431%0.30644%0.438SS..  trans-63.8135.8176.300000110.9Y328 C330Y328-A332 WeakPolarHBondContact CD2-O 3.37Å; Y328-A332 PolarHBondContact N-O 3.35Å; C330-A332 VanDerWaalsContact C-N 3.26Å; C330-A332 PolarHBondContact O-N 3.5Å
333V61.6Low64.7Low85 Ų8581.7 Ų81.752%0.51544%0.436SS..EExtended strand (participates in β ladder)trans-104.8124.2171.9-173.30000108.4F325 A326 I327 G331F325-V333 HydrophobicContact CB-CG1 3.86Å; F325-V333 HydrophobicContact CD1-CG1 3.77Å; F325-V333 HydrophobicContact CG-CG1 4.13Å; A326-V333 CarbonylContact O-C 3.6Å; A326-V333 VanDerWaalsContact O-CA 3.32Å; A326-V333 WeakPolarHBondContact O-CA 3.42Å; I327-V333 HydrophobicContact CG1-CG2 4.16Å; G331-V333 PolarHBondContact O-N 3.33Å
334R67.5Low63.5Low166 Ų16685.9 Ų85.963%0.62647%0.471SS*.EExtended strand (participates in β ladder)trans-131.8146.2172.6-50.9-178.4168.8-179.4-3.8111.3A326 Y328A326-R334 PolarHBondContact N-O 2.9Å; A326-R334 PolarHBondContact O-N 3.42Å; Y328-R334 HydrophobicContact CD2-CG 4.24Å; Y328-R334 HydrophobicContact CE2-CB 3.72Å; Y328-R334 HydrophobicContact CE2-CG 3.72Å
335S62.2Low62.2Low81 Ų8191.3 Ų91.357%0.56650%0.497SS*.EExtended strand (participates in β ladder)trans-69.6134.917054.80000110.9F324F324-S335 CarbonylContact O-C 3.56Å; F324-S335 VanDerWaalsContact O-CA 3.27Å; F324-S335 WeakPolarHBondContact O-CA 3.27Å
336K66.5Low61.1Low131 Ų13193.1 Ų93.157%0.5750%0.5SS*.EExtended strand (participates in β ladder)trans-125.2134.6172-171.1179.7-179.6-176.40109.6S323 F324S323-K336 VanDerWaalsContact CA-O 3.32Å; S323-K336 WeakPolarHBondContact CA-O 3.48Å; F324-K336 PolarHBondContact N-O 2.85Å; F324-K336 PolarHBondContact O-N 3.1Å
337E65.1Low60.2Low54 Ų5498.5 Ų98.525%0.25252%0.52SS..EExtended strand (participates in β ladder)trans-106.8135.3175.7-63-178.2168.600109.8Y232 R280 L322Y232-E337 PolarHBondContact OH-OE1 2.88Å; R280-E337 IonicContact CZ-OE1 2.64Å; R280-E337 IonicContact NH1-OE1 3.26Å; R280-E337 PolarHBondContact NH1-OE1 2.86Å; R280-E337 IonicContact NH2-OE1 2.69Å; R280-E337 IonicContact NH2-OE2 3.08Å; L322-E337 CarbonylContact O-C 3.52Å; L322-E337 WeakPolarHBondContact O-CA 3.44Å
338A67.7Low59.2Low18 Ų1894.3 Ų94.315%0.14951%0.505CS..EExtended strand (participates in β ladder)trans-147149175.400000111.3K321 L322K321-A338 CarbonylContact C-O 3.59Å; K321-A338 VanDerWaalsContact CA-O 3.25Å; K321-A338 WeakPolarHBondContact CA-O 3.42Å; L322-A338 PolarHBondContact N-O 2.93Å; L322-A338 PolarHBondContact O-N 3.42Å
339Y63.5Low58Low20 Ų2092.8 Ų92.88%0.07850%0.503CS..EExtended strand (participates in β ladder)trans-70.9167.8172.4-72.8-79.4000111.8E236 W319 K321 D341 G342 S343 W346E236-Y339 PolarHBondContact OE2-OH 2.85Å; W319-Y339 HydrophobicContact CB-CD1 4.38Å; W319-Y339 HydrophobicContact CB-CE1 4.2Å; K321-Y339 HydrophobicContact CD-CE1 4.19Å; K321-Y339 HydrophobicContact CD-CE2 4.41Å; K321-Y339 WeakPolarHBondContact CE-OH 3.35Å; K321-Y339 HydrophobicContact CG-CD1 3.66Å; K321-Y339 HydrophobicContact CG-CD2 4.41Å; K321-Y339 HydrophobicContact CG-CE1 3.66Å; K321-Y339 HydrophobicContact CG-CE2 4.4Å; K321-Y339 HydrophobicContact CG-CG 4.06Å; K321-Y339 PolarHBondContact NZ-OH 3.36Å; K321-Y339 VanDerWaalsContact NZ-OH 3.07Å; Y339-D341 VanDerWaalsContact CB-OD1 3.29Å; Y339-D341 WeakPolarHBondContact CB-OD1 3.3Å; Y339-D341 PolarHBondContact O-N 3.19Å; Y339-D341 VanDerWaalsContact O-N 3.15Å; Y339-G342 WeakPolarHBondContact O-CA 3.4Å; Y339-G342 PolarHBondContact O-N 3.05Å; Y339-S343 PolarHBondContact N-O 2.95Å; Y339-W346 HydrophobicContact CE2-CB 4.26Å
340N56.5Low56.5Low105 Ų10587.4 Ų87.456%0.56150%0.495SS*.THydrogen-bonded Turntrans-55-30.2178.5-75.2-26.3000114.2K320 L322K320-N340 VanDerWaalsContact CE-CG 3.45Å; K320-N340 WeakPolarHBondContact CE-ND2 3.45Å; K320-N340 WeakPolarHBondContact CE-OD1 3.42Å; K320-N340 WeakPolarHBondContact CG-ND2 3.34Å; K320-N340 VanDerWaalsContact CG-OD1 3.26Å; K320-N340 WeakPolarHBondContact CG-OD1 3.41Å; L322-N340 VanDerWaalsContact CD1-OD1 3.31Å; L322-N340 WeakPolarHBondContact CD1-OD1 3.46Å
341D61Low54.7Low103 Ų10388.9 Ų88.955%0.55149%0.489SS*.THydrogen-bonded Turntrans-83.61.8177.970.3-17.2000112.8Y339 S343Y339-D341 VanDerWaalsContact CB-OD1 3.29Å; Y339-D341 WeakPolarHBondContact CB-OD1 3.3Å; Y339-D341 PolarHBondContact O-N 3.19Å; Y339-D341 VanDerWaalsContact O-N 3.15Å; D341-S343 VanDerWaalsContact C-N 3.3Å; D341-S343 VanDerWaalsContact CG-OG 3.29Å; D341-S343 VanDerWaalsContact OD1-CB 3.29Å; D341-S343 WeakPolarHBondContact OD1-CB 3.45Å; D341-S343 PolarHBondContact OD1-N 3.25Å; D341-S343 PolarHBondContact OD1-OG 3.23Å; D341-S343 PolarHBondContact OD2-OG 2.95Å
342G51.4Low52.9Low59 Ų5990.1 Ų90.161%0.60849%0.489SS*.SBendtrans82.6-0.4-177.900000114.6Y339Y339-G342 WeakPolarHBondContact O-CA 3.4Å; Y339-G342 PolarHBondContact O-N 3.05Å
343S49.1Very low51.3Low21 Ų2193.7 Ų93.715%0.14751%0.508CS..  trans-74.2150.3178.367.90000112.3Y339 D341 E345Y339-S343 PolarHBondContact N-O 2.95Å; D341-S343 VanDerWaalsContact C-N 3.3Å; D341-S343 VanDerWaalsContact CG-OG 3.29Å; D341-S343 VanDerWaalsContact OD1-CB 3.29Å; D341-S343 WeakPolarHBondContact OD1-CB 3.45Å; D341-S343 PolarHBondContact OD1-N 3.25Å; D341-S343 PolarHBondContact OD1-OG 3.23Å; D341-S343 PolarHBondContact OD2-OG 2.95Å; S343-E345 PolarHBondContact OG-O 2.79Å; S343-E345 VanDerWaalsContact OG-O 3.05Å
344A51Low50Low89 Ų8993.3 Ų93.374%0.73651%0.508SS*.SBendtrans-91.1-19.2170.300000112.3
345E48.8Very low48.3Very low152 Ų15291.6 Ų91.671%0.7151%0.512SS*.SBendtrans-106.4146.2-178.4-69.5-175.7168.900111S343S343-E345 PolarHBondContact OG-O 2.79Å; S343-E345 VanDerWaalsContact OG-O 3.05Å
346W48.2Very low46.8Very low143 Ų14390.6 Ų90.654%0.54251%0.509SS..  trans-63.5136.1174.5175.785.7000110.6W319 Y339 A348W319-W346 AromaticContact CH2-NE1 3.94Å; W319-W346 AromaticContact CZ3-NE1 3.97Å; Y339-W346 HydrophobicContact CE2-CB 4.26Å; W346-A348 HydrophobicContact CH2-CB 3.54Å; W346-A348 HydrophobicContact CZ2-CB 3.74Å; W346-A348 HydrophobicContact CZ3-CB 4.26Å
347K44.5Very low45.2Very low138 Ų13888.7 Ų88.760%0.651%0.508SS*.  trans-125131.7163.8-63.4-177.6-178.9179.40108
348A41.1Very low43.6Very low46 Ų4695.9 Ų95.938%0.3853%0.533SS..  trans-53.9147.4164.800000108.4W346 D350W346-A348 HydrophobicContact CH2-CB 3.54Å; W346-A348 HydrophobicContact CZ2-CB 3.74Å; W346-A348 HydrophobicContact CZ3-CB 4.26Å; A348-D350 PolarHBondContact O-N 2.93Å
349N38.3Very low41.8Very low69 Ų69102.8 Ų102.837%0.36956%0.564SS.*  trans-54.2119.5160-74.52.6000105.8W319 F351W319-N349 PolarHBondContact NE1-OD1 3.35Å; W319-N349 VanDerWaalsContact NE1-OD1 3.14Å; N349-F351 HydrophobicContact CB-CE2 4.41Å; N349-F351 WeakPolarHBondContact O-CD2 3.02Å; N349-F351 PolarHBondContact O-N 3.36Å
350D33.3Very low40.4Very low156 Ų156112.1 Ų112.183%0.83460%0.599SS**  trans-59.297.1168.8-82.5-29.3000105.9A348 S352A348-D350 PolarHBondContact O-N 2.93Å; D350-S352 PolarHBondContact O-N 2.55Å
351F35.9Very low39.5Very low139 Ų139114.2 Ų114.261%0.6161%0.605SS**  trans-7072161.1-68.9-78.7000105.5M241 N349 T353M241-F351 HydrophobicContact CE-CE2 4.23Å; M241-F351 HydrophobicContact CE-CZ 4.39Å; N349-F351 HydrophobicContact CB-CE2 4.41Å; N349-F351 WeakPolarHBondContact O-CD2 3.02Å; N349-F351 PolarHBondContact O-N 3.36Å; F351-T353 PolarHBondContact O-N 3.33Å
352S30.7Very low38.4Very low80 Ų80113.1 Ų113.156%0.55961%0.611SS**  trans-51.4129.1167.571.20000105.9D350 S354D350-S352 PolarHBondContact O-N 2.55Å; S352-S354 PolarHBondContact O-N 3.19Å; S352-S354 PolarHBondContact O-OG 2.81Å; S352-S354 PolarHBondContact OG-OG 3.26Å
353T33.7Very low37.9Very low113 Ų113121.5 Ų121.569%0.69362%0.624SS**THydrogen-bonded Turntrans-60.323.9-178.334.90000114.2F351 N355 A356 T357F351-T353 PolarHBondContact O-N 3.33Å; T353-N355 VanDerWaalsContact C-N 3.27Å; T353-N355 PolarHBondContact O-N 3.28Å; T353-A356 PolarHBondContact O-N 2.96Å; T353-T357 PolarHBondContact O-OG1 2.74Å
354S35.1Very low37.5Very low76 Ų76125.1 Ų125.153%0.53165%0.649SS.*Hα-helixtrans-69.4-20.2177.359.70000113.7S352S352-S354 PolarHBondContact O-N 3.19Å; S352-S354 PolarHBondContact O-OG 2.81Å; S352-S354 PolarHBondContact OG-OG 3.26Å
355N30.2Very low37.1Very low130 Ų130132.6 Ų132.670%0.69567%0.669SS**Hα-helixtrans-89.1-12.8171.1-80.6-15.3000114.3T353T353-N355 VanDerWaalsContact C-N 3.27Å; T353-N355 PolarHBondContact O-N 3.28Å
356A30.6Very low36.5Very low61 Ų61131.7 Ų131.750%0.50467%0.667SS.*Hα-helixtrans-76.6-28.5173.100000111.9T353T353-A356 PolarHBondContact O-N 2.96Å
357T33.6Very low35.9Very low91 Ų91131.1 Ų131.156%0.55867%0.674SS**Hα-helixtrans-80-29.2-179.4-37.50000112.6T353 M359 R360T353-T357 PolarHBondContact O-OG1 2.74Å; T357-M359 PolarHBondContact O-N 3.37Å; T357-R360 PolarHBondContact O-N 2.63Å
358R31.2Very low35.4Very low205 Ų205130.7 Ų130.777%0.77468%0.678SS**Hα-helixtrans-73.2-20.1177.7-91.4-176172.5-176.6-2.3114.9
359M30Very low35Very low162 Ų162135.6 Ų135.680%0.79870%0.695SS**THydrogen-bonded Turntrans-85.2-12.5172.1-79.6-163.9-173.100114.2T357T357-M359 PolarHBondContact O-N 3.37Å
360R34.1Very low34.8Very low216 Ų216139.8 Ų139.882%0.81572%0.716SS**THydrogen-bonded Turntrans-87.3-19.1175.7-78.4-171175.6-174.6-0.7114.1T357T357-R360 PolarHBondContact O-N 2.63Å
361Q37.6Very low34.9Very low149 Ų149138.7 Ų138.770%0.69671%0.708SS**G310 helixtrans-89.2-6.1176.6-83.2-179.2-32.700114.8
362A39.1Very low34.9Very low81 Ų81138.7 Ų138.767%0.66972%0.715SS**G310 helixtrans-9517.2174.500000113.9
363R39.6Very low35.2Very low234 Ų234143.2 Ų143.288%0.88373%0.727SS**G310 helixtrans-129.818.5174.2-78.3-167.1178.4-162.7-0113.7
364S42.1Very low35.3Very low97 Ų97145.8 Ų145.868%0.67873%0.73SS**  trans-13422.3173.667.40000113.9
365E40.8Very low35.3Very low247 Ų247152.1 Ų152.1100%1.15475%0.748SS**  trans-121.90156.1-68.9179.8-176.800106.6

Retrieved 365 of 365 residues in 208.2 ms (Link to these results)

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