A0A3Q0KD26_SCHMA Loading...

Transmembrane protein 188

AlphaFold DB , UniProt , Accession A0A3Q0KD26, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 132 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
1M46.4Very low65.3Low234 Ų234144.7 Ų144.7100%1.15376%0.758SS**  0104.10-94.6168.4-172.200107.3A3M1-A3 VanDerWaalsContact C-N 3.29Å; M1-A3 PolarHBondContact O-N 3.09Å
2W56.6Low66.8Low258 Ų258140.6 Ų140.698%0.97774%0.737SS**  trans-6898.9165.8-6883.1000105.2G4W2-G4 PolarHBondContact O-N 3.29Å
3A59.4Low68Low91 Ų91137.5 Ų137.575%0.75272%0.716SS**  trans-54.3116.3168.900000105.3M1 Q5M1-A3 VanDerWaalsContact C-N 3.29Å; M1-A3 PolarHBondContact O-N 3.09Å; A3-Q5 PolarHBondContact O-N 2.98Å
4G59.6Low69Low70 Ų70132.5 Ų132.572%0.72270%0.697SS**  trans-57.595.1174.900000106.8W2 N6W2-G4 PolarHBondContact O-N 3.29Å; G4-N6 PolarHBondContact O-N 3.33Å
5Q65.9Low70.2Confident172 Ų172128.5 Ų128.580%0.80468%0.68SS**  trans-63102.1169.6-170.7168.6-12.500103A3 I7A3-Q5 PolarHBondContact O-N 2.98Å; Q5-I7 PolarHBondContact O-N 3.19Å
6N61.4Low71.6Confident156 Ų156126.4 Ų126.483%0.83467%0.665SS**  trans-56.894.2167.6-81.4-41.3000104.8G4 N8G4-N6 PolarHBondContact O-N 3.33Å; N6-N8 VanDerWaalsContact C-N 3.27Å; N6-N8 PolarHBondContact O-N 3.28Å
7I67.1Low72.8Confident143 Ų143124.8 Ų124.873%0.73366%0.657SS**  trans-62.3104.1171.2-59.4179.5000102.8Q5 Y9Q5-I7 PolarHBondContact O-N 3.19Å; I7-Y9 PolarHBondContact O-N 3.08Å
8N71.3Confident73.9Confident147 Ų147121.7 Ų121.779%0.78664%0.641SS**  trans-7080.4176-169.5-10.9000106.3N6 N10N6-N8 VanDerWaalsContact C-N 3.27Å; N6-N8 PolarHBondContact O-N 3.28Å; N8-N10 PolarHBondContact O-N 3.02Å
9Y74.1Confident74.9Confident164 Ų164121.2 Ų121.264%0.64363%0.633SS**  trans-63.8106179.8173.2-100.6000107.6I7 P11I7-Y9 PolarHBondContact O-N 3.08Å; Y9-P11 HydrophobicContact CE1-CB 4.06Å; Y9-P11 WeakPolarHBondContact O-CD 3.47Å
10N77.6Confident75.9Confident74 Ų74116.9 Ų116.940%0.39662%0.615SS.*  trans-93.5112.4173.2-177.1-5.9000107.6N8 N12 E13N8-N10 PolarHBondContact O-N 3.02Å; N10-N12 PolarHBondContact O-N 3.23Å; N10-N12 WeakPolarHBondContact OD1-CB 3.47Å; N10-N12 PolarHBondContact OD1-N 3.2Å; N10-N12 PolarHBondContact OD1-ND2 3.46Å; N10-E13 HydrophobicContact CB-CB 4.31Å; N10-E13 VanDerWaalsContact O-CB 3.23Å; N10-E13 WeakPolarHBondContact O-CB 3.29Å; N10-E13 PolarHBondContact O-N 2.83Å
11P79.2Confident76.8Confident83 Ų83115.6 Ų115.654%0.53961%0.605SS.*THydrogen-bonded Turntrans-60.2-15.8179.925.6-34.9000113.3Y9Y9-P11 HydrophobicContact CE1-CB 4.06Å; Y9-P11 WeakPolarHBondContact O-CD 3.47Å
12N82.8Confident79.2Confident95 Ų95106.6 Ų106.651%0.50856%0.56SS.*THydrogen-bonded Turntrans-83.7-15.7175.9-54.4-65.5000113.5N10 T15 E16N10-N12 PolarHBondContact O-N 3.23Å; N10-N12 WeakPolarHBondContact OD1-CB 3.47Å; N10-N12 PolarHBondContact OD1-N 3.2Å; N10-N12 PolarHBondContact OD1-ND2 3.46Å; N12-T15 WeakPolarHBondContact O-CA 3.44Å; N12-T15 WeakPolarHBondContact O-CB 3.2Å; N12-T15 PolarHBondContact O-N 3.09Å; N12-E16 PolarHBondContact O-N 3.35Å
13E82.2Confident81.1Confident100 Ų100101.7 Ų101.747%0.46754%0.542SS..Hα-helixtrans-54.6-47.8-175.1-178.1176-158.500113N10 T15 E16 D17N10-E13 HydrophobicContact CB-CB 4.31Å; N10-E13 VanDerWaalsContact O-CB 3.23Å; N10-E13 WeakPolarHBondContact O-CB 3.29Å; N10-E13 PolarHBondContact O-N 2.83Å; E13-T15 PolarHBondContact O-N 2.95Å; E13-E16 PolarHBondContact O-N 3.48Å; E13-E16 VanDerWaalsContact O-N 3.11Å; E13-D17 PolarHBondContact O-N 3.2Å
14P82Confident82.9Confident68 Ų68104 Ų10444%0.44253%0.531SS..Hα-helixtrans-61-31.8177-22.834.3000113.3L18P14-L18 VanDerWaalsContact O-CG 3.32Å; P14-L18 WeakPolarHBondContact O-CG 3.29Å; P14-L18 PolarHBondContact O-N 3.16Å; P14-L18 VanDerWaalsContact O-N 3.14Å
15T87.3Confident84.6Confident72 Ų72101 Ų10144%0.44250%0.498SS..Hα-helixtrans-73.7-39.7179-59.30000110.8N12 E13 L18 K19N12-T15 WeakPolarHBondContact O-CA 3.44Å; N12-T15 WeakPolarHBondContact O-CB 3.2Å; N12-T15 PolarHBondContact O-N 3.09Å; E13-T15 PolarHBondContact O-N 2.95Å; T15-L18 PolarHBondContact O-N 3Å; T15-K19 WeakPolarHBondContact O-CG 3.31Å; T15-K19 PolarHBondContact O-N 3.37Å
16E92.3Very high86.1Confident96 Ų9695.9 Ų95.945%0.44947%0.471SS..Hα-helixtrans-67.6-37.4175.7-67.6-51127.200112N12 E13 K19 A20N12-E16 PolarHBondContact O-N 3.35Å; E13-E16 PolarHBondContact O-N 3.48Å; E13-E16 VanDerWaalsContact O-N 3.11Å; E16-K19 PolarHBondContact O-N 2.98Å; E16-K19 IonicContact OE1-NZ 2.7Å; E16-K19 PolarHBondContact OE1-NZ 2.77Å; E16-A20 VanDerWaalsContact O-CB 3.31Å; E16-A20 WeakPolarHBondContact O-CB 3.24Å; E16-A20 PolarHBondContact O-N 2.98Å
17D92.1Very high87.7Confident99 Ų9993.6 Ų93.653%0.52946%0.456SS..Hα-helixtrans-63.4-43.7174.4-74.3-19.4000112.1E13 A20 F21E13-D17 PolarHBondContact O-N 3.2Å; D17-A20 PolarHBondContact O-N 2.8Å; D17-F21 WeakPolarHBondContact O-CB 3.43Å; D17-F21 PolarHBondContact O-N 2.9Å
18L92.5Very high89.1Confident68 Ų6890.8 Ų90.836%0.35644%0.441SS..Hα-helixtrans-63.6-42.2175.4-73.8176.5000112P14 T15 A20 F21 E22 M116 L124P14-L18 VanDerWaalsContact O-CG 3.32Å; P14-L18 WeakPolarHBondContact O-CG 3.29Å; P14-L18 PolarHBondContact O-N 3.16Å; P14-L18 VanDerWaalsContact O-N 3.14Å; T15-L18 PolarHBondContact O-N 3Å; L18-A20 VanDerWaalsContact C-N 3.33Å; L18-F21 PolarHBondContact O-N 3.36Å; L18-E22 WeakPolarHBondContact O-CB 3.32Å; L18-E22 PolarHBondContact O-N 3.26Å; L18-M116 HydrophobicContact CD1-CE 4.19Å; L18-M116 HydrophobicContact CD1-SD 4.29Å; L18-M116 HydrophobicContact CD2-CE 3.72Å; L18-M116 HydrophobicContact CD2-SD 3.84Å; L18-L124 HydrophobicContact CB-CD1 4.3Å; L18-L124 HydrophobicContact CD2-CD1 4.3Å; L18-L124 WeakPolarHBondContact O-CD1 3.25Å
19K93.8Very high90.2Very high112 Ų11284.2 Ų84.249%0.48741%0.406SS..Hα-helixtrans-62.1-42.2173.7-74172-174.31670111.4T15 E16 E22 R23T15-K19 WeakPolarHBondContact O-CG 3.31Å; T15-K19 PolarHBondContact O-N 3.37Å; E16-K19 PolarHBondContact O-N 2.98Å; E16-K19 IonicContact OE1-NZ 2.7Å; E16-K19 PolarHBondContact OE1-NZ 2.77Å; K19-E22 PolarHBondContact O-N 3.2Å; K19-R23 WeakPolarHBondContact O-CB 3.48Å; K19-R23 PolarHBondContact O-N 3.25Å
20A95.3Very high91.1Very high35 Ų3580.9 Ų80.929%0.28940%0.4SS..Hα-helixtrans-63.7-43.5177.700000111.2E16 D17 L18 R23 R24E16-A20 VanDerWaalsContact O-CB 3.31Å; E16-A20 WeakPolarHBondContact O-CB 3.24Å; E16-A20 PolarHBondContact O-N 2.98Å; D17-A20 PolarHBondContact O-N 2.8Å; L18-A20 VanDerWaalsContact C-N 3.33Å; A20-R23 PolarHBondContact O-N 2.9Å; A20-R24 WeakPolarHBondContact O-CG 3.5Å; A20-R24 PolarHBondContact O-N 3.3Å
21F94.6Very high91.9Very high90 Ų9080.1 Ų80.140%0.39541%0.409SS..Hα-helixtrans-61.5-48.9174.3179.1-96.8000111.9D17 L18 R23 R24 L25 L111 L124D17-F21 WeakPolarHBondContact O-CB 3.43Å; D17-F21 PolarHBondContact O-N 2.9Å; L18-F21 PolarHBondContact O-N 3.36Å; F21-R23 VanDerWaalsContact C-N 3.3Å; F21-R23 PolarHBondContact O-N 3.02Å; F21-R24 PolarHBondContact O-N 2.89Å; F21-L25 HydrophobicContact CE1-CD2 4.04Å; F21-L25 HydrophobicContact CZ-CD2 4.42Å; F21-L25 WeakPolarHBondContact O-CB 3.45Å; F21-L25 PolarHBondContact O-N 2.94Å; F21-L111 HydrophobicContact CE1-CD1 4.3Å; F21-L111 HydrophobicContact CE1-CD2 4.09Å; F21-L111 HydrophobicContact CE1-CG 4.5Å; F21-L124 HydrophobicContact CD1-CD1 4.09Å; F21-L124 HydrophobicContact CD1-CD2 3.98Å; F21-L124 HydrophobicContact CD1-CG 4.47Å; F21-L124 HydrophobicContact CE1-CD2 3.94Å
22E96Very high92.6Very high46 Ų4678.1 Ų78.122%0.21539%0.393CS..Hα-helixtrans-55.2-48.3176.1-176.5175.6159.700110.8L18 K19 R24 L25 R26 L124L18-E22 WeakPolarHBondContact O-CB 3.32Å; L18-E22 PolarHBondContact O-N 3.26Å; K19-E22 PolarHBondContact O-N 3.2Å; E22-R24 VanDerWaalsContact C-N 3.34Å; E22-R24 PolarHBondContact O-N 3.44Å; E22-L25 PolarHBondContact O-N 3.15Å; E22-R26 HydrophobicContact CG-CG 4.3Å; E22-R26 WeakPolarHBondContact O-CB 3.43Å; E22-R26 VanDerWaalsContact O-CG 3.26Å; E22-R26 WeakPolarHBondContact O-CG 3.34Å; E22-R26 PolarHBondContact O-N 3.42Å; E22-R26 IonicContact OE1-CZ 2.73Å; E22-R26 VanDerWaalsContact OE1-CZ 3.23Å; E22-R26 IonicContact OE1-NE 3.23Å; E22-R26 PolarHBondContact OE1-NE 3.39Å; E22-R26 IonicContact OE1-NH2 3.7Å; E22-R26 PolarHBondContact OE1-NH2 3.34Å; E22-L124 HydrophobicContact CB-CD1 3.79Å; E22-L124 HydrophobicContact CB-CG 3.83Å; E22-L124 HydrophobicContact CG-CG 4.14Å
23R96.9Very high93Very high155 Ų15575 Ų7559%0.58538%0.384SS*.Hα-helixtrans-57.9-46.1179.3-178.3178.862.9-173-3.8111.5K19 A20 F21 R26 E27K19-R23 WeakPolarHBondContact O-CB 3.48Å; K19-R23 PolarHBondContact O-N 3.25Å; A20-R23 PolarHBondContact O-N 2.9Å; F21-R23 VanDerWaalsContact C-N 3.3Å; F21-R23 PolarHBondContact O-N 3.02Å; R23-R26 PolarHBondContact O-N 2.68Å; R23-E27 WeakPolarHBondContact O-CB 3.35Å; R23-E27 PolarHBondContact O-N 3.1Å
24R96.7Very high93.5Very high139 Ų13974.1 Ų74.153%0.52539%0.387SS..Hα-helixtrans-67.1-41178.8-69.3-59.1-176.5-169.93.3112.2A20 F21 E22 R26 E27 I28A20-R24 WeakPolarHBondContact O-CG 3.5Å; A20-R24 PolarHBondContact O-N 3.3Å; F21-R24 PolarHBondContact O-N 2.89Å; E22-R24 VanDerWaalsContact C-N 3.34Å; E22-R24 PolarHBondContact O-N 3.44Å; R24-R26 VanDerWaalsContact C-N 3.35Å; R24-R26 PolarHBondContact O-N 3.42Å; R24-E27 WeakPolarHBondContact CD-OE2 3.29Å; R24-E27 IonicContact CZ-OE2 3.51Å; R24-E27 IonicContact NH1-OE1 3.75Å; R24-E27 IonicContact NH1-OE2 3.09Å; R24-E27 PolarHBondContact NH1-OE2 2.76Å; R24-E27 PolarHBondContact O-N 3.31Å; R24-I28 VanDerWaalsContact O-CG1 3.3Å; R24-I28 WeakPolarHBondContact O-CG1 3.49Å; R24-I28 PolarHBondContact O-N 2.93Å
25L96Very high94Very high8 Ų876.6 Ų76.64%0.04239%0.391CS..Hα-helixtrans-62.7-44.1177.1-176.957.7000111.4F21 E22 I28 I29 I103 S107 C118F21-L25 HydrophobicContact CE1-CD2 4.04Å; F21-L25 HydrophobicContact CZ-CD2 4.42Å; F21-L25 WeakPolarHBondContact O-CB 3.45Å; F21-L25 PolarHBondContact O-N 2.94Å; E22-L25 PolarHBondContact O-N 3.15Å; L25-I28 PolarHBondContact O-N 3.35Å; L25-I29 HydrophobicContact CD1-CD1 3.89Å; L25-I29 HydrophobicContact CD1-CG1 4.37Å; L25-I29 HydrophobicContact CG-CD1 3.95Å; L25-I29 WeakPolarHBondContact O-CB 3.24Å; L25-I29 WeakPolarHBondContact O-CG1 3.49Å; L25-I29 PolarHBondContact O-N 2.9Å; L25-I103 HydrophobicContact CD1-CG2 4.09Å; L25-S107 WeakPolarHBondContact CD1-OG 3.17Å; L25-C118 HydrophobicContact CD2-CB 4.05Å
26R96.3Very high94.3Very high63 Ų6373.3 Ų73.324%0.23837%0.37CS..Hα-helixtrans-61.9-45174.2-72.9179.1175.3-76.512.6112.4E22 R23 R24 I28 I29 N30 S121 K123E22-R26 HydrophobicContact CG-CG 4.3Å; E22-R26 WeakPolarHBondContact O-CB 3.43Å; E22-R26 VanDerWaalsContact O-CG 3.26Å; E22-R26 WeakPolarHBondContact O-CG 3.34Å; E22-R26 PolarHBondContact O-N 3.42Å; E22-R26 IonicContact OE1-CZ 2.73Å; E22-R26 VanDerWaalsContact OE1-CZ 3.23Å; E22-R26 IonicContact OE1-NE 3.23Å; E22-R26 PolarHBondContact OE1-NE 3.39Å; E22-R26 IonicContact OE1-NH2 3.7Å; E22-R26 PolarHBondContact OE1-NH2 3.34Å; R23-R26 PolarHBondContact O-N 2.68Å; R24-R26 VanDerWaalsContact C-N 3.35Å; R24-R26 PolarHBondContact O-N 3.42Å; R26-I28 VanDerWaalsContact C-N 3.31Å; R26-I28 PolarHBondContact O-N 3.37Å; R26-I29 PolarHBondContact O-N 3.23Å; R26-N30 WeakPolarHBondContact O-CB 3.49Å; R26-N30 PolarHBondContact O-N 3.32Å; R26-N30 PolarHBondContact O-ND2 3.43Å; R26-S121 WeakPolarHBondContact CG-O 3.48Å; R26-S121 PolarHBondContact NH1-OG 3.49Å; R26-K123 VanDerWaalsContact NH2-CD 3.35Å
27E96.5Very high94.5Very high108 Ų10874.8 Ų74.851%0.50538%0.376SS..Hα-helixtrans-56.6-46.7177.5-176.7-177.5178.200111R23 R24 G31R23-E27 WeakPolarHBondContact O-CB 3.35Å; R23-E27 PolarHBondContact O-N 3.1Å; R24-E27 WeakPolarHBondContact CD-OE2 3.29Å; R24-E27 IonicContact CZ-OE2 3.51Å; R24-E27 IonicContact NH1-OE1 3.75Å; R24-E27 IonicContact NH1-OE2 3.09Å; R24-E27 PolarHBondContact NH1-OE2 2.76Å; R24-E27 PolarHBondContact O-N 3.31Å; E27-G31 PolarHBondContact O-N 3.17Å
28I95.8Very high94.7Very high84 Ų8477 Ų7743%0.43138%0.381SS..Hα-helixtrans-62.7-51177.5-66.4167.1000110.7R24 L25 R26 G31 L32 I103R24-I28 VanDerWaalsContact O-CG1 3.3Å; R24-I28 WeakPolarHBondContact O-CG1 3.49Å; R24-I28 PolarHBondContact O-N 2.93Å; L25-I28 PolarHBondContact O-N 3.35Å; R26-I28 VanDerWaalsContact C-N 3.31Å; R26-I28 PolarHBondContact O-N 3.37Å; I28-G31 PolarHBondContact O-N 3.42Å; I28-L32 HydrophobicContact CG2-CD1 3.95Å; I28-L32 VanDerWaalsContact O-CG 3.23Å; I28-L32 WeakPolarHBondContact O-CG 3.45Å; I28-L32 PolarHBondContact O-N 3.08Å; I28-I103 HydrophobicContact CG2-CD1 3.84Å; I28-I103 HydrophobicContact CG2-CG2 4.32Å
29I94.6Very high94.9Very high9 Ų976.5 Ų76.55%0.04637%0.374CS..Hα-helixtrans-64.7-45.2-177.2-71.3171.7000111.1L25 R26 G31 L32 G33 A104 N120L25-I29 HydrophobicContact CD1-CD1 3.89Å; L25-I29 HydrophobicContact CD1-CG1 4.37Å; L25-I29 HydrophobicContact CG-CD1 3.95Å; L25-I29 WeakPolarHBondContact O-CB 3.24Å; L25-I29 WeakPolarHBondContact O-CG1 3.49Å; L25-I29 PolarHBondContact O-N 2.9Å; R26-I29 PolarHBondContact O-N 3.23Å; I29-G31 VanDerWaalsContact C-N 3.34Å; I29-G31 PolarHBondContact O-N 3.32Å; I29-L32 PolarHBondContact O-N 2.87Å; I29-G33 PolarHBondContact O-N 3.45Å; I29-A104 HydrophobicContact CD1-CB 4.04Å; I29-N120 WeakPolarHBondContact CG2-O 3.49Å
30N92.7Very high95Very high95 Ų9576.9 Ų76.951%0.50837%0.372SS..Hα-helixtrans-66.8-35.6178.8-70-19.7000111.7R26 L32 P34R26-N30 WeakPolarHBondContact O-CB 3.49Å; R26-N30 PolarHBondContact O-N 3.32Å; R26-N30 PolarHBondContact O-ND2 3.43Å; N30-L32 VanDerWaalsContact C-N 3.31Å; N30-L32 PolarHBondContact O-N 3.46Å; N30-P34 WeakPolarHBondContact O-CD 3.36Å
31G94.1Very high95.1Very high57 Ų5779.1 Ų79.159%0.58838%0.379SS*.Hα-helixtrans-65.5-34.3173.500000112.8E27 I28 I29E27-G31 PolarHBondContact O-N 3.17Å; I28-G31 PolarHBondContact O-N 3.42Å; I29-G31 VanDerWaalsContact C-N 3.34Å; I29-G31 PolarHBondContact O-N 3.32Å
32L94Very high95.2Very high41 Ų4177.8 Ų77.822%0.21538%0.378CS..Hα-helixtrans-85-27.3-180-65.5173.4000113.6I28 I29 N30 K35 A36 L99 P100 I103I28-L32 HydrophobicContact CG2-CD1 3.95Å; I28-L32 VanDerWaalsContact O-CG 3.23Å; I28-L32 WeakPolarHBondContact O-CG 3.45Å; I28-L32 PolarHBondContact O-N 3.08Å; I29-L32 PolarHBondContact O-N 2.87Å; N30-L32 VanDerWaalsContact C-N 3.31Å; N30-L32 PolarHBondContact O-N 3.46Å; L32-K35 PolarHBondContact O-N 3.28Å; L32-A36 WeakPolarHBondContact O-CB 3.43Å; L32-A36 PolarHBondContact O-N 2.96Å; L32-L99 HydrophobicContact CD1-CD2 4.03Å; L32-L99 HydrophobicContact CD1-CG 4.03Å; L32-L99 HydrophobicContact CD2-CD2 3.87Å; L32-P100 HydrophobicContact CB-CB 4.46Å; L32-P100 HydrophobicContact CB-CG 3.93Å; L32-I103 HydrophobicContact CD1-CD1 3.39Å
33G91.6Very high95.3Very high30 Ų3076.7 Ų76.731%0.30937%0.373SS..Hα-helixtrans-52.6-57.7-175.900000114.2I29 K35 A36 F37I29-G33 PolarHBondContact O-N 3.45Å; G33-K35 VanDerWaalsContact C-N 3.28Å; G33-K35 PolarHBondContact O-N 3.4Å; G33-A36 PolarHBondContact O-N 3.24Å; G33-F37 WeakPolarHBondContact O-CB 3.4Å; G33-F37 PolarHBondContact O-N 2.93Å
34P92.4Very high95.3Very high81 Ų8172.6 Ų72.653%0.52637%0.368SS..Hα-helixtrans-59-38.3-179.6-26.334.6000113N30 F37 K38N30-P34 WeakPolarHBondContact O-CD 3.36Å; P34-F37 PolarHBondContact O-N 3.44Å; P34-K38 WeakPolarHBondContact O-CG 3.36Å; P34-K38 PolarHBondContact O-N 3.49Å; P34-K38 VanDerWaalsContact O-N 3.07Å
35K92.8Very high95.4Very high121 Ų12169.5 Ų69.553%0.52637%0.365SS..Hα-helixtrans-66.6-48.5176.7-173174.7-177.8176.40110.6L32 G33 F37 K38 W39L32-K35 PolarHBondContact O-N 3.28Å; G33-K35 VanDerWaalsContact C-N 3.28Å; G33-K35 PolarHBondContact O-N 3.4Å; K35-F37 VanDerWaalsContact C-N 3.29Å; K35-F37 PolarHBondContact O-N 3.41Å; K35-K38 PolarHBondContact O-N 2.86Å; K35-W39 PolarHBondContact O-N 3.27Å; K35-W39 VanDerWaalsContact O-N 3.08Å
36A94.5Very high95.4Very high2 Ų269.4 Ų69.42%0.01737%0.365CS..Hα-helixtrans-60.1-40.3177.300000111.7L32 G33 W39 R40 P100L32-A36 WeakPolarHBondContact O-CB 3.43Å; L32-A36 PolarHBondContact O-N 2.96Å; G33-A36 PolarHBondContact O-N 3.24Å; A36-W39 PolarHBondContact O-N 2.98Å; A36-R40 WeakPolarHBondContact O-CG 3.29Å; A36-R40 PolarHBondContact O-N 3.43Å; A36-P100 HydrophobicContact CB-CG 3.56Å
37F95.1Very high95.5Very high128 Ų12869.2 Ų69.256%0.56137%0.371SS*.Hα-helixtrans-61.1-46.9176.3-176.8-106.2000112.4G33 P34 K35 W39 R40 I41G33-F37 WeakPolarHBondContact O-CB 3.4Å; G33-F37 PolarHBondContact O-N 2.93Å; P34-F37 PolarHBondContact O-N 3.44Å; K35-F37 VanDerWaalsContact C-N 3.29Å; K35-F37 PolarHBondContact O-N 3.41Å; F37-W39 VanDerWaalsContact C-N 3.32Å; F37-W39 PolarHBondContact O-N 3.47Å; F37-R40 WeakPolarHBondContact O-CB 3.36Å; F37-R40 PolarHBondContact O-N 2.86Å; F37-R40 VanDerWaalsContact O-N 3.13Å; F37-I41 HydrophobicContact CD1-CD1 3.82Å; F37-I41 HydrophobicContact CE1-CD1 3.35Å; F37-I41 HydrophobicContact CE1-CG1 4.32Å; F37-I41 HydrophobicContact CE2-CD1 4.5Å; F37-I41 HydrophobicContact CZ-CD1 3.74Å; F37-I41 HydrophobicContact CZ-CG1 4.34Å; F37-I41 PolarHBondContact O-N 3.3Å
38K95.8Very high95.6Very high145 Ų14569.2 Ų69.263%0.6337%0.374SS*.Hα-helixtrans-57.1-45.4174.4-71.8178.8-177.8-173.90111.9P34 K35 R40 I41 V42P34-K38 WeakPolarHBondContact O-CG 3.36Å; P34-K38 PolarHBondContact O-N 3.49Å; P34-K38 VanDerWaalsContact O-N 3.07Å; K35-K38 PolarHBondContact O-N 2.86Å; K38-R40 VanDerWaalsContact C-N 3.32Å; K38-R40 PolarHBondContact O-N 3.05Å; K38-I41 PolarHBondContact O-N 3.18Å; K38-V42 WeakPolarHBondContact O-CG2 3.34Å; K38-V42 PolarHBondContact O-N 2.96Å
39W96.9Very high95.7Very high57 Ų5769.5 Ų69.522%0.21638%0.375CS..Hα-helixtrans-66.7-31.4177.9-78.8101.9000113.2K35 A36 F37 L43 L88 A93 K96 V97K35-W39 PolarHBondContact O-N 3.27Å; K35-W39 VanDerWaalsContact O-N 3.08Å; A36-W39 PolarHBondContact O-N 2.98Å; F37-W39 VanDerWaalsContact C-N 3.32Å; F37-W39 PolarHBondContact O-N 3.47Å; W39-L43 WeakPolarHBondContact O-CB 3.41Å; W39-L43 WeakPolarHBondContact O-CG 3.17Å; W39-L43 PolarHBondContact O-N 2.86Å; W39-L88 HydrophobicContact CZ3-CD2 3.96Å; W39-A93 HydrophobicContact CE3-CB 3.52Å; W39-A93 HydrophobicContact CZ3-CB 3.62Å; W39-K96 HydrophobicContact CB-CB 4.41Å; W39-K96 HydrophobicContact CD2-CB 4.28Å; W39-K96 HydrophobicContact CD2-CD 3.83Å; W39-K96 HydrophobicContact CE3-CD 4.49Å; W39-K96 HydrophobicContact CG-CB 3.9Å; W39-K96 HydrophobicContact CG-CD 4.23Å; W39-K96 HydrophobicContact CH2-CD 4.27Å; W39-K96 HydrophobicContact CZ2-CD 3.59Å; W39-K96 VanDerWaalsContact CZ2-NZ 3.27Å; W39-V97 VanDerWaalsContact C-CG1 3.41Å; W39-V97 HydrophobicContact CB-CG1 3.38Å
40R97Very high95.8Very high121 Ų12170.8 Ų70.846%0.45738%0.381SS..Hα-helixtrans-63.8-46.7172.6-72.8172.1-169.31742.8110.7A36 F37 K38 V42 L43 S44 V97A36-R40 WeakPolarHBondContact O-CG 3.29Å; A36-R40 PolarHBondContact O-N 3.43Å; F37-R40 WeakPolarHBondContact O-CB 3.36Å; F37-R40 PolarHBondContact O-N 2.86Å; F37-R40 VanDerWaalsContact O-N 3.13Å; K38-R40 VanDerWaalsContact C-N 3.32Å; K38-R40 PolarHBondContact O-N 3.05Å; R40-V42 PolarHBondContact O-N 3.26Å; R40-L43 PolarHBondContact O-N 3.26Å; R40-S44 WeakPolarHBondContact O-CB 3.37Å; R40-S44 PolarHBondContact O-N 3.47Å; R40-S44 PolarHBondContact O-OG 3.34Å; R40-V97 HydrophobicContact CB-CG1 4.37Å; R40-V97 HydrophobicContact CG-CB 3.89Å; R40-V97 HydrophobicContact CG-CG1 3.67Å; R40-V97 PolarHBondContact NH2-O 2.97Å
41I97.7Very high96.1Very high82 Ų8271.1 Ų71.142%0.42138%0.382SS..Hα-helixtrans-59.1-49.4176.8-65.2165.7000110.7F37 K38 L43 S44 V45F37-I41 HydrophobicContact CD1-CD1 3.82Å; F37-I41 HydrophobicContact CE1-CD1 3.35Å; F37-I41 HydrophobicContact CE1-CG1 4.32Å; F37-I41 HydrophobicContact CE2-CD1 4.5Å; F37-I41 HydrophobicContact CZ-CD1 3.74Å; F37-I41 HydrophobicContact CZ-CG1 4.34Å; F37-I41 PolarHBondContact O-N 3.3Å; K38-I41 PolarHBondContact O-N 3.18Å; I41-L43 PolarHBondContact O-N 2.89Å; I41-S44 PolarHBondContact O-N 2.95Å; I41-V45 HydrophobicContact CG2-CG2 4.26Å; I41-V45 WeakPolarHBondContact O-CG2 3.47Å; I41-V45 PolarHBondContact O-N 2.84Å
42V96.9Very high96.2Very high62 Ų6272.2 Ų72.238%0.37638%0.38SS..Hα-helixtrans-57.8-47.2179.5171.60000111.4K38 R40 V45 A46 L88K38-V42 WeakPolarHBondContact O-CG2 3.34Å; K38-V42 PolarHBondContact O-N 2.96Å; R40-V42 PolarHBondContact O-N 3.26Å; V42-V45 PolarHBondContact O-N 3.44Å; V42-A46 WeakPolarHBondContact O-CB 3.4Å; V42-A46 PolarHBondContact O-N 3.37Å; V42-L88 HydrophobicContact CG1-CD1 4.24Å; V42-L88 HydrophobicContact CG1-CD2 4.02Å
43L96.8Very high96.3Very high22 Ų2271 Ų7112%0.11538%0.375CS..Hα-helixtrans-64.9-42.9177.5-77.4176.2000112.1W39 R40 I41 V45 A46 V47 L88 A93 V97W39-L43 WeakPolarHBondContact O-CB 3.41Å; W39-L43 WeakPolarHBondContact O-CG 3.17Å; W39-L43 PolarHBondContact O-N 2.86Å; R40-L43 PolarHBondContact O-N 3.26Å; I41-L43 PolarHBondContact O-N 2.89Å; L43-V45 PolarHBondContact O-N 2.96Å; L43-A46 PolarHBondContact O-N 2.94Å; L43-V47 WeakPolarHBondContact O-CB 3.35Å; L43-V47 VanDerWaalsContact O-CG2 3.26Å; L43-V47 WeakPolarHBondContact O-CG2 3.31Å; L43-V47 PolarHBondContact O-N 3.49Å; L43-L88 HydrophobicContact CD2-CB 4.16Å; L43-L88 HydrophobicContact CD2-CD1 4.27Å; L43-A93 HydrophobicContact CD1-CB 4.05Å; L43-A93 HydrophobicContact CD2-CB 3.82Å; L43-A93 HydrophobicContact CG-CB 4.05Å; L43-V97 HydrophobicContact CD1-CG1 3.88Å; L43-V97 HydrophobicContact CD1-CG2 4.02Å
44S97.3Very high96.5Very high69 Ų6971 Ų7148%0.48337%0.37SS..Hα-helixtrans-60.3-46.4177.4-68.10000111.6R40 I41 V47 L48R40-S44 WeakPolarHBondContact O-CB 3.37Å; R40-S44 PolarHBondContact O-N 3.47Å; R40-S44 PolarHBondContact O-OG 3.34Å; I41-S44 PolarHBondContact O-N 2.95Å; S44-V47 PolarHBondContact O-N 2.86Å; S44-L48 VanDerWaalsContact O-CG 3.29Å; S44-L48 WeakPolarHBondContact O-CG 3.49Å; S44-L48 PolarHBondContact O-N 2.92Å
45V97.8Very high96.7Very high75 Ų7574.6 Ų74.646%0.45537%0.374SS..Hα-helixtrans-63.3-451771730000111I41 V42 L43 V47 L48 I49I41-V45 HydrophobicContact CG2-CG2 4.26Å; I41-V45 WeakPolarHBondContact O-CG2 3.47Å; I41-V45 PolarHBondContact O-N 2.84Å; V42-V45 PolarHBondContact O-N 3.44Å; L43-V45 PolarHBondContact O-N 2.96Å; V45-V47 VanDerWaalsContact C-N 3.33Å; V45-V47 PolarHBondContact O-N 3.07Å; V45-L48 PolarHBondContact O-N 3.25Å; V45-I49 HydrophobicContact CG1-CD1 3.86Å; V45-I49 HydrophobicContact CG1-CG1 4.46Å; V45-I49 WeakPolarHBondContact O-CG1 3.22Å; V45-I49 PolarHBondContact O-N 3.3Å
46A97.5Very high96.8Very high5 Ų572 Ų724%0.04137%0.371CS..Hα-helixtrans-60.5-41.817800000112.3V42 L43 H50 F84 L85 L88V42-A46 WeakPolarHBondContact O-CB 3.4Å; V42-A46 PolarHBondContact O-N 3.37Å; L43-A46 PolarHBondContact O-N 2.94Å; A46-H50 WeakPolarHBondContact O-CB 3.34Å; A46-H50 PolarHBondContact O-N 3.47Å; A46-F84 HydrophobicContact CB-CD1 4.15Å; A46-F84 HydrophobicContact CB-CE1 3.89Å; A46-L85 HydrophobicContact CB-CD1 4.15Å; A46-L88 HydrophobicContact CB-CD1 3.57Å
47V98Very high96.7Very high59 Ų5973.4 Ų73.436%0.35838%0.375SS..Hα-helixtrans-66.1-42.2176.6169.90000111.1L43 S44 V45 H50 L51 L85L43-V47 WeakPolarHBondContact O-CB 3.35Å; L43-V47 VanDerWaalsContact O-CG2 3.26Å; L43-V47 WeakPolarHBondContact O-CG2 3.31Å; L43-V47 PolarHBondContact O-N 3.49Å; S44-V47 PolarHBondContact O-N 2.86Å; V45-V47 VanDerWaalsContact C-N 3.33Å; V45-V47 PolarHBondContact O-N 3.07Å; V47-H50 PolarHBondContact O-N 3.38Å; V47-L51 HydrophobicContact CG1-CD1 4.02Å; V47-L51 HydrophobicContact CG1-CG 4.3Å; V47-L51 WeakPolarHBondContact O-CB 3.12Å; V47-L51 VanDerWaalsContact O-CG 3.32Å; V47-L51 WeakPolarHBondContact O-CG 3.19Å; V47-L51 PolarHBondContact O-N 3.39Å; V47-L85 HydrophobicContact CG2-CD1 4.01Å
48L98.2Very high96.6Very high109 Ų10971.4 Ų71.457%0.57137%0.37SS*.Hα-helixtrans-62.4-45177.1-72.1173.3000111.8S44 V45 H50 L51 C52S44-L48 VanDerWaalsContact O-CG 3.29Å; S44-L48 WeakPolarHBondContact O-CG 3.49Å; S44-L48 PolarHBondContact O-N 2.92Å; V45-L48 PolarHBondContact O-N 3.25Å; L48-H50 VanDerWaalsContact C-N 3.31Å; L48-H50 PolarHBondContact O-N 3.2Å; L48-L51 PolarHBondContact O-N 2.98Å; L48-C52 PolarHBondContact O-N 3.42Å; L48-C52 PolarHBondContact O-SG 2.9Å; L48-C52 VanDerWaalsContact O-SG 3.37Å
49I97.4Very high96.5Very high90 Ų9068.3 Ų68.346%0.46236%0.363SS..Hα-helixtrans-58.1-47.6174.6-68.3167.6000109.9V45 L51 C52 S53V45-I49 HydrophobicContact CG1-CD1 3.86Å; V45-I49 HydrophobicContact CG1-CG1 4.46Å; V45-I49 WeakPolarHBondContact O-CG1 3.22Å; V45-I49 PolarHBondContact O-N 3.3Å; I49-L51 PolarHBondContact O-N 2.95Å; I49-C52 PolarHBondContact O-N 3.11Å; I49-S53 WeakPolarHBondContact O-CB 3.44Å; I49-S53 PolarHBondContact O-N 3.41Å; I49-S53 PolarHBondContact O-OG 3.29Å
50H97.8Very high96.3Very high35 Ų3568 Ų6816%0.16237%0.366CS..Hα-helixtrans-61.4-42179.5-175.959.8000112.8A46 V47 L48 S53 S54 F78 S81 L85A46-H50 WeakPolarHBondContact O-CB 3.34Å; A46-H50 PolarHBondContact O-N 3.47Å; V47-H50 PolarHBondContact O-N 3.38Å; L48-H50 VanDerWaalsContact C-N 3.31Å; L48-H50 PolarHBondContact O-N 3.2Å; H50-S53 PolarHBondContact O-N 2.98Å; H50-S54 WeakPolarHBondContact O-CB 3.34Å; H50-S54 PolarHBondContact O-N 3.48Å; H50-F78 AromaticContact CE1-CE2 3.36Å; H50-F78 WeakPolarHBondContact CE1-CE2 3.06Å; H50-S81 PolarHBondContact ND1-OG 3.49Å; H50-L85 HydrophobicContact CB-CD2 4.39Å
51L98.1Very high95.9Very high102 Ų10266.4 Ų66.453%0.53437%0.371SS..Hα-helixtrans-63.6-43.6176-72.9174.3000111.7V47 L48 I49 S54 Y55V47-L51 HydrophobicContact CG1-CD1 4.02Å; V47-L51 HydrophobicContact CG1-CG 4.3Å; V47-L51 WeakPolarHBondContact O-CB 3.12Å; V47-L51 VanDerWaalsContact O-CG 3.32Å; V47-L51 WeakPolarHBondContact O-CG 3.19Å; V47-L51 PolarHBondContact O-N 3.39Å; L48-L51 PolarHBondContact O-N 2.98Å; I49-L51 PolarHBondContact O-N 2.95Å; L51-S54 PolarHBondContact O-N 3.39Å; L51-Y55 WeakPolarHBondContact O-CB 3.26Å; L51-Y55 PolarHBondContact O-N 3.08Å
52C97.3Very high95.3Very high80 Ų8064.2 Ų64.254%0.54136%0.362SS..Hα-helixtrans-63.2-48.1175.8-710000111.8L48 I49 S54 Y55 C56L48-C52 PolarHBondContact O-N 3.42Å; L48-C52 PolarHBondContact O-SG 2.9Å; L48-C52 VanDerWaalsContact O-SG 3.37Å; I49-C52 PolarHBondContact O-N 3.11Å; C52-S54 VanDerWaalsContact C-N 3.33Å; C52-S54 PolarHBondContact O-N 3.11Å; C52-Y55 WeakPolarHBondContact O-CB 3.47Å; C52-Y55 PolarHBondContact O-N 3.24Å; C52-C56 PolarHBondContact O-N 3.44Å; C52-C56 PolarHBondContact O-SG 3.38Å; C52-C56 VanDerWaalsContact O-SG 3.32Å
53S96.5Very high94.9Very high17 Ų1762.2 Ų62.212%0.11935%0.35CS..Hα-helixtrans-62.9-39.6177.6-62.60000112.1I49 H50 C56 W57I49-S53 WeakPolarHBondContact O-CB 3.44Å; I49-S53 PolarHBondContact O-N 3.41Å; I49-S53 PolarHBondContact O-OG 3.29Å; H50-S53 PolarHBondContact O-N 2.98Å; S53-C56 PolarHBondContact O-N 3.03Å; S53-W57 WeakPolarHBondContact O-CB 3.45Å; S53-W57 PolarHBondContact O-N 3.28Å
54S96.1Very high94.3Very high28 Ų2869.7 Ų69.720%0.19638%0.377CS..Hα-helixtrans-62.9-43.5174.3-177.30000111.5H50 L51 C52 W57 L58H50-S54 WeakPolarHBondContact O-CB 3.34Å; H50-S54 PolarHBondContact O-N 3.48Å; L51-S54 PolarHBondContact O-N 3.39Å; C52-S54 VanDerWaalsContact C-N 3.33Å; C52-S54 PolarHBondContact O-N 3.11Å; S54-W57 PolarHBondContact O-N 3.29Å; S54-L58 WeakPolarHBondContact O-CB 3.43Å; S54-L58 VanDerWaalsContact O-CG 3.29Å; S54-L58 WeakPolarHBondContact O-CG 3.32Å; S54-L58 PolarHBondContact O-N 2.84Å
55Y95.9Very high93.9Very high158 Ų15873.6 Ų73.662%0.6239%0.388SS*.Hα-helixtrans-61.3-49175.2178-100.2000111.6L51 C52 W57 L58 V59L51-Y55 WeakPolarHBondContact O-CB 3.26Å; L51-Y55 PolarHBondContact O-N 3.08Å; C52-Y55 WeakPolarHBondContact O-CB 3.47Å; C52-Y55 PolarHBondContact O-N 3.24Å; Y55-W57 VanDerWaalsContact C-N 3.29Å; Y55-W57 PolarHBondContact O-N 3.07Å; Y55-L58 PolarHBondContact O-N 3.41Å; Y55-V59 HydrophobicContact CD2-CG1 4.25Å; Y55-V59 HydrophobicContact CE1-CG1 4.14Å; Y55-V59 HydrophobicContact CE1-CG2 4.49Å; Y55-V59 HydrophobicContact CE2-CG1 3.79Å; Y55-V59 WeakPolarHBondContact O-CG2 3.5Å; Y55-V59 PolarHBondContact O-N 3.35Å; Y55-V59 VanDerWaalsContact O-N 3.08Å
56C94Very high93.2Very high67 Ų6771.2 Ų71.245%0.45338%0.376SS..Hα-helixtrans-57.4-41.7176.6-69.70000112.3C52 S53 V59 D60C52-C56 PolarHBondContact O-N 3.44Å; C52-C56 PolarHBondContact O-SG 3.38Å; C52-C56 VanDerWaalsContact O-SG 3.32Å; S53-C56 PolarHBondContact O-N 3.03Å; C56-V59 WeakPolarHBondContact O-CG2 3.35Å; C56-D60 PolarHBondContact O-N 3.49Å
57W93.5Very high92.8Very high30 Ų3073.7 Ų73.711%0.11440%0.402CS..Hα-helixtrans-63.6-43.7176175.740.7000112.5S53 S54 Y55 V59 D60 T63 F68 S71 L72 H75 F78S53-W57 WeakPolarHBondContact O-CB 3.45Å; S53-W57 PolarHBondContact O-N 3.28Å; S54-W57 PolarHBondContact O-N 3.29Å; Y55-W57 VanDerWaalsContact C-N 3.29Å; Y55-W57 PolarHBondContact O-N 3.07Å; W57-V59 PolarHBondContact O-N 3.03Å; W57-D60 PolarHBondContact O-N 3.24Å; W57-T63 VanDerWaalsContact CD1-OG1 3.29Å; W57-T63 WeakPolarHBondContact O-CB 3.49Å; W57-T63 PolarHBondContact O-OG1 3.47Å; W57-F68 AromaticContact CH2-CE2 3.84Å; W57-F68 HydrophobicContact CH2-CE2 3.84Å; W57-F68 HydrophobicContact CZ2-CD2 4.42Å; W57-F68 HydrophobicContact CZ2-CE2 4.11Å; W57-S71 PolarHBondContact NE1-OG 3.5Å; W57-L72 HydrophobicContact CH2-CD2 4.23Å; W57-L72 HydrophobicContact CZ2-CD2 3.84Å; W57-H75 AromaticContact CD1-CD2 3.14Å; W57-H75 AromaticContact CD1-CG 3.38Å; W57-H75 AromaticContact CD1-NE2 3.65Å; W57-H75 HydrophobicContact CG-CB 4.32Å; W57-H75 AromaticContact NE1-CD2 3.65Å; W57-F78 HydrophobicContact CB-CB 4.35Å; W57-F78 HydrophobicContact CD2-CD1 4.15Å; W57-F78 HydrophobicContact CD2-CE1 4.39Å; W57-F78 HydrophobicContact CD2-CG 4.34Å; W57-F78 AromaticContact CE3-CD1 3.94Å; W57-F78 HydrophobicContact CE3-CD1 3.94Å; W57-F78 HydrophobicContact CE3-CD2 4.17Å; W57-F78 AromaticContact CE3-CE1 3.79Å; W57-F78 HydrophobicContact CE3-CE1 3.79Å; W57-F78 HydrophobicContact CE3-CE2 4.02Å; W57-F78 HydrophobicContact CE3-CG 4.12Å; W57-F78 AromaticContact CE3-CZ 3.83Å; W57-F78 HydrophobicContact CE3-CZ 3.83Å; W57-F78 HydrophobicContact CH2-CE1 4.27Å; W57-F78 HydrophobicContact CZ3-CD1 4.3Å; W57-F78 AromaticContact CZ3-CE1 3.73Å; W57-F78 HydrophobicContact CZ3-CE1 3.73Å; W57-F78 HydrophobicContact CZ3-CE2 4.33Å; W57-F78 AromaticContact CZ3-CZ 3.74Å; W57-F78 HydrophobicContact CZ3-CZ 3.74Å
58L92.6Very high92.3Very high86 Ų8677.4 Ų77.445%0.4541%0.414SS..Hα-helixtrans-72.3-28.1-176.8-72.7172.2000114.2S54 Y55 Y64S54-L58 WeakPolarHBondContact O-CB 3.43Å; S54-L58 VanDerWaalsContact O-CG 3.29Å; S54-L58 WeakPolarHBondContact O-CG 3.32Å; S54-L58 PolarHBondContact O-N 2.84Å; Y55-L58 PolarHBondContact O-N 3.41Å; L58-Y64 PolarHBondContact O-OH 3.1Å
59V93.6Very high91.9Very high81 Ų8177.4 Ų77.449%0.49141%0.413SS..Hα-helixtrans-86.8-10.4177.1-58.20000113.2Y55 C56 W57Y55-V59 HydrophobicContact CD2-CG1 4.25Å; Y55-V59 HydrophobicContact CE1-CG1 4.14Å; Y55-V59 HydrophobicContact CE1-CG2 4.49Å; Y55-V59 HydrophobicContact CE2-CG1 3.79Å; Y55-V59 WeakPolarHBondContact O-CG2 3.5Å; Y55-V59 PolarHBondContact O-N 3.35Å; Y55-V59 VanDerWaalsContact O-N 3.08Å; C56-V59 WeakPolarHBondContact O-CG2 3.35Å; W57-V59 PolarHBondContact O-N 3.03Å
60D91.6Very high91.6Very high49 Ų4974.3 Ų74.326%0.26240%0.403SS..  trans-70.5122.5178-167.4-35.9000110.4C56 W57 V62 T63 H75C56-D60 PolarHBondContact O-N 3.49Å; W57-D60 PolarHBondContact O-N 3.24Å; D60-V62 PolarHBondContact O-N 2.88Å; D60-V62 VanDerWaalsContact OD1-CB 3.24Å; D60-V62 WeakPolarHBondContact OD1-CB 3.29Å; D60-V62 VanDerWaalsContact OD1-CG2 3.31Å; D60-V62 WeakPolarHBondContact OD1-CG2 3.38Å; D60-V62 PolarHBondContact OD1-N 3.48Å; D60-T63 VanDerWaalsContact O-CB 3.24Å; D60-T63 WeakPolarHBondContact O-CB 3.42Å; D60-T63 PolarHBondContact O-N 3.49Å; D60-T63 VanDerWaalsContact O-N 3.1Å; D60-T63 PolarHBondContact O-OG1 3.27Å; D60-H75 IonicContact OD2-CE1 3.66Å; D60-H75 PolarHBondContact OD2-CE1 3.21Å; D60-H75 IonicContact OD2-NE2 2.95Å
61P88.9Confident91.3Very high88 Ų8872.7 Ų72.757%0.57140%0.396SS*.G310 helixtrans-59-28176.725-35.8000113.5T63 Y64P61-T63 PolarHBondContact O-N 3.08Å; P61-Y64 PolarHBondContact O-N 3.05Å
62V86.6Confident91Very high37 Ų3769.5 Ų69.522%0.22438%0.379CS..G310 helixtrans-67.1-24.8179.3-175.90000111.6D60 Y64 Q65 A66 K74D60-V62 PolarHBondContact O-N 2.88Å; D60-V62 VanDerWaalsContact OD1-CB 3.24Å; D60-V62 WeakPolarHBondContact OD1-CB 3.29Å; D60-V62 VanDerWaalsContact OD1-CG2 3.31Å; D60-V62 WeakPolarHBondContact OD1-CG2 3.38Å; D60-V62 PolarHBondContact OD1-N 3.48Å; V62-Y64 PolarHBondContact O-N 3.06Å; V62-Q65 PolarHBondContact O-N 2.96Å; V62-A66 PolarHBondContact O-N 3.13Å; V62-A66 VanDerWaalsContact O-N 3.08Å; V62-K74 HydrophobicContact CG1-CD 3.37Å
63T87.1Confident90.6Very high20 Ų2073 Ų7312%0.12339%0.388CS..G310 helixtrans-58.2-33.6177.3-66.30000112.5W57 D60 P61 S71 H75W57-T63 VanDerWaalsContact CD1-OG1 3.29Å; W57-T63 WeakPolarHBondContact O-CB 3.49Å; W57-T63 PolarHBondContact O-OG1 3.47Å; D60-T63 VanDerWaalsContact O-CB 3.24Å; D60-T63 WeakPolarHBondContact O-CB 3.42Å; D60-T63 PolarHBondContact O-N 3.49Å; D60-T63 VanDerWaalsContact O-N 3.1Å; D60-T63 PolarHBondContact O-OG1 3.27Å; P61-T63 PolarHBondContact O-N 3.08Å; T63-S71 WeakPolarHBondContact CA-OG 3.32Å; T63-H75 PolarHBondContact OG1-NE2 3.37Å
64Y84.9Confident90.3Very high178 Ų17877.9 Ų77.970%0.69841%0.407SS*.G310 helixtrans-89-14.1178.3-56.3-80.6000113.4L58 P61 V62L58-Y64 PolarHBondContact O-OH 3.1Å; P61-Y64 PolarHBondContact O-N 3.05Å; V62-Y64 PolarHBondContact O-N 3.06Å
65Q88.6Confident90.2Very high152 Ų15276.9 Ų76.971%0.7140%0.399SS*.THydrogen-bonded Turntrans-89.6-31.1-179-64.9176.51.500112.4V62V62-Q65 PolarHBondContact O-N 2.96Å
66A83.9Confident90.1Very high24 Ų2472.7 Ų72.720%0.19839%0.391CS..SBendtrans-95.4149.2176.300000111V62V62-A66 PolarHBondContact O-N 3.13Å; V62-A66 VanDerWaalsContact O-N 3.08Å
67G87.6Confident90.1Very high57 Ų5773.2 Ų73.259%0.58839%0.387SS*.  trans-60.6159.516500000110.9I69 G70 S71G67-I69 PolarHBondContact O-N 3.18Å; G67-G70 CarbonylContact O-C 3.17Å; G67-G70 WeakPolarHBondContact O-CA 3.04Å; G67-G70 PolarHBondContact O-N 2.9Å; G67-S71 PolarHBondContact O-N 3.15Å
68F88.3Confident90.1Very high137 Ų13772.8 Ų72.860%0.60139%0.386SS*.Hα-helixtrans-48.5-50.7-171.3179.6-105.1000114.7W57 S71 L72W57-F68 AromaticContact CH2-CE2 3.84Å; W57-F68 HydrophobicContact CH2-CE2 3.84Å; W57-F68 HydrophobicContact CZ2-CD2 4.42Å; W57-F68 HydrophobicContact CZ2-CE2 4.11Å; F68-S71 WeakPolarHBondContact O-CB 3.43Å; F68-S71 PolarHBondContact O-N 3.23Å; F68-L72 HydrophobicContact CD1-CD1 4.09Å; F68-L72 HydrophobicContact CE1-CD1 3.52Å; F68-L72 HydrophobicContact CE1-CG 4.36Å; F68-L72 HydrophobicContact CE2-CD1 4.46Å; F68-L72 HydrophobicContact CZ-CD1 3.74Å; F68-L72 HydrophobicContact CZ-CG 4.31Å; F68-L72 WeakPolarHBondContact O-CG 3.48Å; F68-L72 PolarHBondContact O-N 2.9Å
69I90Very high90.3Very high110 Ų11071 Ų7156%0.56438%0.378SS*.Hα-helixtrans-63.9-44178.7-59-61000111.3G67 S71 L72 E73G67-I69 PolarHBondContact O-N 3.18Å; I69-S71 VanDerWaalsContact C-N 3.26Å; I69-S71 PolarHBondContact O-N 3.4Å; I69-L72 PolarHBondContact O-N 3.29Å; I69-L72 VanDerWaalsContact O-N 3.16Å; I69-E73 PolarHBondContact O-N 3.29Å
70G90.4Very high90.4Very high24 Ų2472.5 Ų72.525%0.24738%0.383CS..Hα-helixtrans-67.2-27177.300000113.3G67 K74G67-G70 CarbonylContact O-C 3.17Å; G67-G70 WeakPolarHBondContact O-CA 3.04Å; G67-G70 PolarHBondContact O-N 2.9Å; G70-K74 WeakPolarHBondContact O-CG 3.44Å
71S91.2Very high90.7Very high2 Ų270.7 Ų70.71%0.01437%0.374CS..Hα-helixtrans-68.7-48.3169.6176.20000110.2W57 T63 G67 F68 I69 E73 K74 H75W57-S71 PolarHBondContact NE1-OG 3.5Å; T63-S71 WeakPolarHBondContact CA-OG 3.32Å; G67-S71 PolarHBondContact O-N 3.15Å; F68-S71 WeakPolarHBondContact O-CB 3.43Å; F68-S71 PolarHBondContact O-N 3.23Å; I69-S71 VanDerWaalsContact C-N 3.26Å; I69-S71 PolarHBondContact O-N 3.4Å; S71-E73 VanDerWaalsContact C-N 3.29Å; S71-E73 PolarHBondContact O-N 2.85Å; S71-K74 WeakPolarHBondContact O-CB 3.45Å; S71-K74 PolarHBondContact O-N 3.17Å; S71-H75 PolarHBondContact O-CD2 3.13Å; S71-H75 PolarHBondContact O-N 3.06Å
72L91.6Very high91.1Very high34 Ų3469.5 Ų69.518%0.17836%0.363CS..Hα-helixtrans-58.8-37.9177.2-68.7178.4000113.3W57 F68 I69 K74 H75 F78 V79W57-L72 HydrophobicContact CH2-CD2 4.23Å; W57-L72 HydrophobicContact CZ2-CD2 3.84Å; F68-L72 HydrophobicContact CD1-CD1 4.09Å; F68-L72 HydrophobicContact CE1-CD1 3.52Å; F68-L72 HydrophobicContact CE1-CG 4.36Å; F68-L72 HydrophobicContact CE2-CD1 4.46Å; F68-L72 HydrophobicContact CZ-CD1 3.74Å; F68-L72 HydrophobicContact CZ-CG 4.31Å; F68-L72 WeakPolarHBondContact O-CG 3.48Å; F68-L72 PolarHBondContact O-N 2.9Å; I69-L72 PolarHBondContact O-N 3.29Å; I69-L72 VanDerWaalsContact O-N 3.16Å; L72-K74 PolarHBondContact O-N 3.21Å; L72-H75 CarbonylContact O-C 3.52Å; L72-H75 PolarHBondContact O-N 3.49Å; L72-H75 VanDerWaalsContact O-N 3.09Å; L72-F78 HydrophobicContact CD2-CD1 3.7Å; L72-F78 HydrophobicContact CD2-CE1 3.76Å; L72-V79 HydrophobicContact CB-CG2 4.08Å; L72-V79 HydrophobicContact CD2-CG2 4.22Å
73E89.4Confident91.6Very high154 Ų15472.4 Ų72.472%0.7238%0.376SS*.Hα-helixtrans-61.6-30.3175.2-74.5178.9169.900113I69 S71 H75I69-E73 PolarHBondContact O-N 3.29Å; S71-E73 VanDerWaalsContact C-N 3.29Å; S71-E73 PolarHBondContact O-N 2.85Å; E73-H75 VanDerWaalsContact C-N 3.32Å
74K91.4Very high92Very high120 Ų12076.6 Ų76.652%0.52239%0.393SS..Hα-helixtrans-81.9-11.9176.6-68.2-177.6-177.7179.80113.6V62 G70 S71 L72 P76V62-K74 HydrophobicContact CG1-CD 3.37Å; G70-K74 WeakPolarHBondContact O-CG 3.44Å; S71-K74 WeakPolarHBondContact O-CB 3.45Å; S71-K74 PolarHBondContact O-N 3.17Å; L72-K74 PolarHBondContact O-N 3.21Å; K74-P76 VanDerWaalsContact O-CD 3.29Å; K74-P76 WeakPolarHBondContact O-CD 3.45Å
75H92.9Very high92.6Very high6 Ų669.1 Ų69.13%0.02837%0.365CS..  trans-122.461.7-177-68.5-72.9000112.3W57 D60 T63 S71 L72 E73 E77 F78 V79W57-H75 AromaticContact CD1-CD2 3.14Å; W57-H75 AromaticContact CD1-CG 3.38Å; W57-H75 AromaticContact CD1-NE2 3.65Å; W57-H75 HydrophobicContact CG-CB 4.32Å; W57-H75 AromaticContact NE1-CD2 3.65Å; D60-H75 IonicContact OD2-CE1 3.66Å; D60-H75 PolarHBondContact OD2-CE1 3.21Å; D60-H75 IonicContact OD2-NE2 2.95Å; T63-H75 PolarHBondContact OG1-NE2 3.37Å; S71-H75 PolarHBondContact O-CD2 3.13Å; S71-H75 PolarHBondContact O-N 3.06Å; L72-H75 CarbonylContact O-C 3.52Å; L72-H75 PolarHBondContact O-N 3.49Å; L72-H75 VanDerWaalsContact O-N 3.09Å; E73-H75 VanDerWaalsContact C-N 3.32Å; H75-E77 IonicContact CG-OE1 2.78Å; H75-E77 IonicContact ND1-OE1 2.8Å; H75-E77 PolarHBondContact ND1-OE1 3.11Å; H75-E77 PolarHBondContact O-N 2.78Å; H75-F78 HydrophobicContact CB-CB 4.36Å; H75-F78 PolarHBondContact O-N 3.43Å; H75-F78 VanDerWaalsContact O-N 3.15Å; H75-V79 PolarHBondContact O-N 3Å
76P93.5Very high93Very high70 Ų7065.9 Ų65.946%0.45535%0.351SS..Hα-helixtrans-59.4-30.2-178.726.2-35.5000112.8K74 F78 V79 L80K74-P76 VanDerWaalsContact O-CD 3.29Å; K74-P76 WeakPolarHBondContact O-CD 3.45Å; P76-F78 VanDerWaalsContact C-N 3.35Å; P76-F78 PolarHBondContact O-N 3.37Å; P76-V79 PolarHBondContact O-N 2.87Å; P76-L80 VanDerWaalsContact O-CB 3.29Å; P76-L80 WeakPolarHBondContact O-CB 2.98Å; P76-L80 WeakPolarHBondContact O-CG 3.12Å; P76-L80 PolarHBondContact O-N 3.49Å
77E93.8Very high93.7Very high79 Ų7966.8 Ų66.837%0.36936%0.358SS..Hα-helixtrans-59.8-42.7176.666.5-72172.700112.5H75 S81H75-E77 IonicContact CG-OE1 2.78Å; H75-E77 IonicContact ND1-OE1 2.8Å; H75-E77 PolarHBondContact ND1-OE1 3.11Å; H75-E77 PolarHBondContact O-N 2.78Å; E77-S81 WeakPolarHBondContact O-CB 3.47Å; E77-S81 PolarHBondContact O-N 3.41Å; E77-S81 PolarHBondContact O-OG 2.86Å
78F95Very high94.1Very high20 Ų2064.6 Ų64.69%0.08833%0.333CS..Hα-helixtrans-67.2-49176.8172.7-105.6000110.3H50 W57 L72 H75 P76 L80 S81 L82H50-F78 AromaticContact CE1-CE2 3.36Å; H50-F78 WeakPolarHBondContact CE1-CE2 3.06Å; W57-F78 HydrophobicContact CB-CB 4.35Å; W57-F78 HydrophobicContact CD2-CD1 4.15Å; W57-F78 HydrophobicContact CD2-CE1 4.39Å; W57-F78 HydrophobicContact CD2-CG 4.34Å; W57-F78 AromaticContact CE3-CD1 3.94Å; W57-F78 HydrophobicContact CE3-CD1 3.94Å; W57-F78 HydrophobicContact CE3-CD2 4.17Å; W57-F78 AromaticContact CE3-CE1 3.79Å; W57-F78 HydrophobicContact CE3-CE1 3.79Å; W57-F78 HydrophobicContact CE3-CE2 4.02Å; W57-F78 HydrophobicContact CE3-CG 4.12Å; W57-F78 AromaticContact CE3-CZ 3.83Å; W57-F78 HydrophobicContact CE3-CZ 3.83Å; W57-F78 HydrophobicContact CH2-CE1 4.27Å; W57-F78 HydrophobicContact CZ3-CD1 4.3Å; W57-F78 AromaticContact CZ3-CE1 3.73Å; W57-F78 HydrophobicContact CZ3-CE1 3.73Å; W57-F78 HydrophobicContact CZ3-CE2 4.33Å; W57-F78 AromaticContact CZ3-CZ 3.74Å; W57-F78 HydrophobicContact CZ3-CZ 3.74Å; L72-F78 HydrophobicContact CD2-CD1 3.7Å; L72-F78 HydrophobicContact CD2-CE1 3.76Å; H75-F78 HydrophobicContact CB-CB 4.36Å; H75-F78 PolarHBondContact O-N 3.43Å; H75-F78 VanDerWaalsContact O-N 3.15Å; P76-F78 VanDerWaalsContact C-N 3.35Å; P76-F78 PolarHBondContact O-N 3.37Å; F78-L80 PolarHBondContact O-N 2.73Å; F78-S81 PolarHBondContact O-N 3.32Å; F78-S81 PolarHBondContact O-OG 3.41Å; F78-L82 HydrophobicContact CE1-CD2 4.37Å; F78-L82 HydrophobicContact CZ-CD2 4.38Å; F78-L82 WeakPolarHBondContact O-CB 3.38Å; F78-L82 PolarHBondContact O-N 3.36Å
79V95.9Very high94.5Very high48 Ų4863.2 Ų63.229%0.29133%0.327SS..Hα-helixtrans-59.2-47-179.8179.10000111.1L72 H75 P76 L82 L83L72-V79 HydrophobicContact CB-CG2 4.08Å; L72-V79 HydrophobicContact CD2-CG2 4.22Å; H75-V79 PolarHBondContact O-N 3Å; P76-V79 PolarHBondContact O-N 2.87Å; V79-L82 PolarHBondContact O-N 2.84Å; V79-L83 HydrophobicContact CG1-CD1 4.06Å; V79-L83 HydrophobicContact CG1-CG 4.38Å; V79-L83 WeakPolarHBondContact O-CB 3.35Å; V79-L83 VanDerWaalsContact O-CG 3.32Å; V79-L83 WeakPolarHBondContact O-CG 3.45Å; V79-L83 PolarHBondContact O-N 3.21Å
80L96.3Very high94.8Very high114 Ų11466.3 Ų66.360%0.59734%0.337SS*.Hα-helixtrans-63.9-42.9178.6-71.8172.5000112P76 F78 L82 L83 F84P76-L80 VanDerWaalsContact O-CB 3.29Å; P76-L80 WeakPolarHBondContact O-CB 2.98Å; P76-L80 WeakPolarHBondContact O-CG 3.12Å; P76-L80 PolarHBondContact O-N 3.49Å; F78-L80 PolarHBondContact O-N 2.73Å; L80-L82 VanDerWaalsContact C-N 3.3Å; L80-L82 PolarHBondContact O-N 3.04Å; L80-L83 PolarHBondContact O-N 2.97Å; L80-F84 VanDerWaalsContact O-CB 3.29Å; L80-F84 WeakPolarHBondContact O-CB 3.23Å; L80-F84 PolarHBondContact O-N 3.42Å
81S96.9Very high95Very high10 Ų1070.8 Ų70.87%0.0735%0.354CS..Hα-helixtrans-61.3-40.7176.677.30000111.8H50 E77 F78 F84 L85H50-S81 PolarHBondContact ND1-OG 3.49Å; E77-S81 WeakPolarHBondContact O-CB 3.47Å; E77-S81 PolarHBondContact O-N 3.41Å; E77-S81 PolarHBondContact O-OG 2.86Å; F78-S81 PolarHBondContact O-N 3.32Å; F78-S81 PolarHBondContact O-OG 3.41Å; S81-F84 PolarHBondContact O-N 2.88Å; S81-L85 WeakPolarHBondContact O-CB 3.45Å; S81-L85 PolarHBondContact O-N 2.89Å
82L97.1Very high95Very high64 Ų6471.3 Ų71.334%0.33536%0.36SS..Hα-helixtrans-67.3-47.1178.6179.560.5000111F78 V79 L80 F84 L85 M86F78-L82 HydrophobicContact CE1-CD2 4.37Å; F78-L82 HydrophobicContact CZ-CD2 4.38Å; F78-L82 WeakPolarHBondContact O-CB 3.38Å; F78-L82 PolarHBondContact O-N 3.36Å; V79-L82 PolarHBondContact O-N 2.84Å; L80-L82 VanDerWaalsContact C-N 3.3Å; L80-L82 PolarHBondContact O-N 3.04Å; L82-F84 VanDerWaalsContact C-N 3.32Å; L82-F84 PolarHBondContact O-N 2.93Å; L82-L85 PolarHBondContact O-N 3.31Å; L82-M86 HydrophobicContact CD1-CG 4.48Å; L82-M86 HydrophobicContact CG-SD 4.27Å; L82-M86 WeakPolarHBondContact O-CB 3.3Å; L82-M86 VanDerWaalsContact O-CG 3.31Å; L82-M86 WeakPolarHBondContact O-CG 3.37Å; L82-M86 PolarHBondContact O-N 3.32Å
83L97.1Very high95.1Very high97 Ų9769.7 Ų69.751%0.50835%0.352SS..Hα-helixtrans-61.2-41.8176.8-72.2177.6000111.6V79 L80 M86 A87V79-L83 HydrophobicContact CG1-CD1 4.06Å; V79-L83 HydrophobicContact CG1-CG 4.38Å; V79-L83 WeakPolarHBondContact O-CB 3.35Å; V79-L83 VanDerWaalsContact O-CG 3.32Å; V79-L83 WeakPolarHBondContact O-CG 3.45Å; V79-L83 PolarHBondContact O-N 3.21Å; L80-L83 PolarHBondContact O-N 2.97Å; L83-M86 PolarHBondContact O-N 3.04Å; L83-A87 WeakPolarHBondContact O-CB 3.39Å; L83-A87 PolarHBondContact O-N 2.94Å
84F96.8Very high95.3Very high109 Ų10967.2 Ų67.248%0.47834%0.34SS..Hα-helixtrans-63-44.2175.8-180-111.5000111.7A46 L80 S81 L82 A87 L88A46-F84 HydrophobicContact CB-CD1 4.15Å; A46-F84 HydrophobicContact CB-CE1 3.89Å; L80-F84 VanDerWaalsContact O-CB 3.29Å; L80-F84 WeakPolarHBondContact O-CB 3.23Å; L80-F84 PolarHBondContact O-N 3.42Å; S81-F84 PolarHBondContact O-N 2.88Å; L82-F84 VanDerWaalsContact C-N 3.32Å; L82-F84 PolarHBondContact O-N 2.93Å; F84-A87 PolarHBondContact O-N 3.06Å; F84-L88 HydrophobicContact CD1-CD1 4Å; F84-L88 HydrophobicContact CE1-CD1 3.55Å; F84-L88 HydrophobicContact CE1-CG 4.28Å; F84-L88 HydrophobicContact CE2-CG 4.47Å; F84-L88 HydrophobicContact CZ-CD1 3.88Å; F84-L88 HydrophobicContact CZ-CD2 4.32Å; F84-L88 HydrophobicContact CZ-CG 4.2Å; F84-L88 WeakPolarHBondContact O-CG 3.49Å; F84-L88 PolarHBondContact O-N 3.48Å
85L97.3Very high95.4Very high21 Ų2169.2 Ų69.211%0.1135%0.349CS..Hα-helixtrans-62.1-45.6176.5-172.864.6000111.1A46 V47 H50 S81 L82 A87 L88 F89A46-L85 HydrophobicContact CB-CD1 4.15Å; V47-L85 HydrophobicContact CG2-CD1 4.01Å; H50-L85 HydrophobicContact CB-CD2 4.39Å; S81-L85 WeakPolarHBondContact O-CB 3.45Å; S81-L85 PolarHBondContact O-N 2.89Å; L82-L85 PolarHBondContact O-N 3.31Å; L85-A87 PolarHBondContact O-N 2.66Å; L85-L88 WeakPolarHBondContact O-CB 3.41Å; L85-L88 PolarHBondContact O-N 2.93Å; L85-F89 HydrophobicContact CD1-CD2 4.34Å; L85-F89 HydrophobicContact CD1-CE2 3.8Å; L85-F89 HydrophobicContact CD2-CE2 4.37Å; L85-F89 HydrophobicContact CG-CD2 4.11Å; L85-F89 HydrophobicContact CG-CE2 3.79Å; L85-F89 WeakPolarHBondContact O-CD2 3.26Å; L85-F89 PolarHBondContact O-N 3.19Å; L85-F89 VanDerWaalsContact O-N 3.11Å
86M97.4Very high95.5Very high84 Ų8472.2 Ų72.241%0.41436%0.362SS..Hα-helixtrans-57.7-47.4174.3-73176.565.900111.3L82 L83 L88 F89 F90L82-M86 HydrophobicContact CD1-CG 4.48Å; L82-M86 HydrophobicContact CG-SD 4.27Å; L82-M86 WeakPolarHBondContact O-CB 3.3Å; L82-M86 VanDerWaalsContact O-CG 3.31Å; L82-M86 WeakPolarHBondContact O-CG 3.37Å; L82-M86 PolarHBondContact O-N 3.32Å; L83-M86 PolarHBondContact O-N 3.04Å; M86-L88 VanDerWaalsContact C-N 3.32Å; M86-L88 PolarHBondContact O-N 3.33Å; M86-F89 PolarHBondContact O-N 2.78Å; M86-F89 VanDerWaalsContact O-N 3.11Å; M86-F90 HydrophobicContact CB-CD2 4.39Å; M86-F90 HydrophobicContact CB-CE2 4.3Å; M86-F90 HydrophobicContact CE-CE2 4.09Å; M86-F90 WeakPolarHBondContact O-CD2 3.25Å; M86-F90 PolarHBondContact O-N 3.33Å
87A97.2Very high95.6Very high42 Ų4269.6 Ų69.635%0.34735%0.345SS..Hα-helixtrans-58.9-42.1177.900000111.8L83 F84 L85 F89 F90 L91L83-A87 WeakPolarHBondContact O-CB 3.39Å; L83-A87 PolarHBondContact O-N 2.94Å; F84-A87 PolarHBondContact O-N 3.06Å; L85-A87 PolarHBondContact O-N 2.66Å; A87-F89 VanDerWaalsContact C-N 3.33Å; A87-F89 PolarHBondContact O-N 3.46Å; A87-F90 PolarHBondContact O-N 3.12Å; A87-L91 WeakPolarHBondContact O-CB 3.33Å; A87-L91 WeakPolarHBondContact O-CG 3.34Å; A87-L91 PolarHBondContact O-N 3.02Å
88L97Very high95.6Very high11 Ų1167.6 Ų67.66%0.05834%0.337CS..Hα-helixtrans-59.2-42.9174.7-73172.1000112.1W39 V42 L43 A46 F84 L85 M86 L91 G92 A93W39-L88 HydrophobicContact CZ3-CD2 3.96Å; V42-L88 HydrophobicContact CG1-CD1 4.24Å; V42-L88 HydrophobicContact CG1-CD2 4.02Å; L43-L88 HydrophobicContact CD2-CB 4.16Å; L43-L88 HydrophobicContact CD2-CD1 4.27Å; A46-L88 HydrophobicContact CB-CD1 3.57Å; F84-L88 HydrophobicContact CD1-CD1 4Å; F84-L88 HydrophobicContact CE1-CD1 3.55Å; F84-L88 HydrophobicContact CE1-CG 4.28Å; F84-L88 HydrophobicContact CE2-CG 4.47Å; F84-L88 HydrophobicContact CZ-CD1 3.88Å; F84-L88 HydrophobicContact CZ-CD2 4.32Å; F84-L88 HydrophobicContact CZ-CG 4.2Å; F84-L88 WeakPolarHBondContact O-CG 3.49Å; F84-L88 PolarHBondContact O-N 3.48Å; L85-L88 WeakPolarHBondContact O-CB 3.41Å; L85-L88 PolarHBondContact O-N 2.93Å; M86-L88 VanDerWaalsContact C-N 3.32Å; M86-L88 PolarHBondContact O-N 3.33Å; L88-L91 PolarHBondContact O-N 3.37Å; L88-G92 PolarHBondContact O-N 2.95Å; L88-A93 HydrophobicContact CB-CB 4.14Å; L88-A93 WeakPolarHBondContact O-CB 3.4Å; L88-A93 PolarHBondContact O-N 2.9Å
89F95.8Very high95.6Very high108 Ų10870.1 Ų70.147%0.47435%0.351SS..Hα-helixtrans-64.8-45176.2-79.7-70.6000112.2L85 M86 A87 L91 G92 H94L85-F89 HydrophobicContact CD1-CD2 4.34Å; L85-F89 HydrophobicContact CD1-CE2 3.8Å; L85-F89 HydrophobicContact CD2-CE2 4.37Å; L85-F89 HydrophobicContact CG-CD2 4.11Å; L85-F89 HydrophobicContact CG-CE2 3.79Å; L85-F89 WeakPolarHBondContact O-CD2 3.26Å; L85-F89 PolarHBondContact O-N 3.19Å; L85-F89 VanDerWaalsContact O-N 3.11Å; M86-F89 PolarHBondContact O-N 2.78Å; M86-F89 VanDerWaalsContact O-N 3.11Å; A87-F89 VanDerWaalsContact C-N 3.33Å; A87-F89 PolarHBondContact O-N 3.46Å; F89-L91 PolarHBondContact O-N 3.03Å; F89-G92 WeakPolarHBondContact O-CA 3.34Å; F89-G92 PolarHBondContact O-N 3.43Å; F89-H94 HydrophobicContact CD1-CB 4.05Å; F89-H94 HydrophobicContact CE1-CB 4.12Å
90F96Very high95.5Very high175 Ų17568.5 Ų68.577%0.76834%0.342SS*.Hα-helixtrans-64.1-37.1176.9-75.8-63.9000112.9M86 A87 G92M86-F90 HydrophobicContact CB-CD2 4.39Å; M86-F90 HydrophobicContact CB-CE2 4.3Å; M86-F90 HydrophobicContact CE-CE2 4.09Å; M86-F90 WeakPolarHBondContact O-CD2 3.25Å; M86-F90 PolarHBondContact O-N 3.33Å; A87-F90 PolarHBondContact O-N 3.12Å; F90-G92 PolarHBondContact O-N 3.26Å; F90-G92 VanDerWaalsContact O-N 3.07Å
91L94.5Very high95.3Very high118 Ų11865.7 Ų65.762%0.61833%0.332SS*.THydrogen-bonded Turntrans-71.44.6172.2-67.3174.3000113.5A87 L88 F89 A93 K96A87-L91 WeakPolarHBondContact O-CB 3.33Å; A87-L91 WeakPolarHBondContact O-CG 3.34Å; A87-L91 PolarHBondContact O-N 3.02Å; L88-L91 PolarHBondContact O-N 3.37Å; F89-L91 PolarHBondContact O-N 3.03Å; L91-A93 PolarHBondContact O-N 3.4Å; L91-K96 PolarHBondContact O-NZ 3.48Å
92G92.7Very high95.2Very high14 Ų1468.4 Ų68.414%0.14435%0.345CS..THydrogen-bonded Turntrans72.626.7174.200000113.6L88 F89 F90 H94 K95 K96L88-G92 PolarHBondContact O-N 2.95Å; F89-G92 WeakPolarHBondContact O-CA 3.34Å; F89-G92 PolarHBondContact O-N 3.43Å; F90-G92 PolarHBondContact O-N 3.26Å; F90-G92 VanDerWaalsContact O-N 3.07Å; G92-H94 PolarHBondContact O-N 2.86Å; G92-K95 WeakPolarHBondContact O-CB 3.19Å; G92-K95 PolarHBondContact O-N 3.39Å; G92-K95 VanDerWaalsContact O-N 3.08Å; G92-K96 WeakPolarHBondContact O-CG 3.38Å; G92-K96 PolarHBondContact O-N 3.27Å
93A93.8Very high95.1Very high0 Ų067.3 Ų67.30%034%0.339CS..Hα-helixtrans-52.8-42.2175.500000111.4W39 L43 L88 L91 K95 K96 V97W39-A93 HydrophobicContact CE3-CB 3.52Å; W39-A93 HydrophobicContact CZ3-CB 3.62Å; L43-A93 HydrophobicContact CD1-CB 4.05Å; L43-A93 HydrophobicContact CD2-CB 3.82Å; L43-A93 HydrophobicContact CG-CB 4.05Å; L88-A93 HydrophobicContact CB-CB 4.14Å; L88-A93 WeakPolarHBondContact O-CB 3.4Å; L88-A93 PolarHBondContact O-N 2.9Å; L91-A93 PolarHBondContact O-N 3.4Å; A93-K95 PolarHBondContact O-N 3.19Å; A93-K96 WeakPolarHBondContact O-CB 3.39Å; A93-K96 PolarHBondContact O-N 3.37Å; A93-K96 VanDerWaalsContact O-N 3.15Å; A93-V97 PolarHBondContact O-N 2.91Å; A93-V97 VanDerWaalsContact O-N 3.1Å
94H93.5Very high94.9Very high101 Ų10162.8 Ų62.847%0.46832%0.315SS..Hα-helixtrans-56.7-50.8175-178.1-100.5000112F89 G92 K96 V97 V98F89-H94 HydrophobicContact CD1-CB 4.05Å; F89-H94 HydrophobicContact CE1-CB 4.12Å; G92-H94 PolarHBondContact O-N 2.86Å; H94-K96 PolarHBondContact O-N 2.86Å; H94-V97 WeakPolarHBondContact O-CG2 3.41Å; H94-V97 PolarHBondContact O-N 3.23Å; H94-V97 VanDerWaalsContact O-N 3.13Å; H94-V98 WeakPolarHBondContact O-CG2 3.39Å; H94-V98 PolarHBondContact O-N 3.06Å
95K93.8Very high94.9Very high162 Ų16262.5 Ų62.570%0.70432%0.315SS*.Hα-helixtrans-56.9-38.7177.5-66.9-179.9179.3175.50111.8G92 A93 L99G92-K95 WeakPolarHBondContact O-CB 3.19Å; G92-K95 PolarHBondContact O-N 3.39Å; G92-K95 VanDerWaalsContact O-N 3.08Å; A93-K95 PolarHBondContact O-N 3.19Å; K95-L99 WeakPolarHBondContact O-CB 3.31Å; K95-L99 PolarHBondContact O-N 2.8Å; K95-L99 VanDerWaalsContact O-N 3.17Å
96K94.2Very high94.8Very high70 Ų7069.8 Ų69.830%0.30434%0.341SS..Hα-helixtrans-67.9-34.7179.6-65.1171.4-170.4163.60112.9W39 L91 G92 A93 H94W39-K96 HydrophobicContact CB-CB 4.41Å; W39-K96 HydrophobicContact CD2-CB 4.28Å; W39-K96 HydrophobicContact CD2-CD 3.83Å; W39-K96 HydrophobicContact CE3-CD 4.49Å; W39-K96 HydrophobicContact CG-CB 3.9Å; W39-K96 HydrophobicContact CG-CD 4.23Å; W39-K96 HydrophobicContact CH2-CD 4.27Å; W39-K96 HydrophobicContact CZ2-CD 3.59Å; W39-K96 VanDerWaalsContact CZ2-NZ 3.27Å; L91-K96 PolarHBondContact O-NZ 3.48Å; G92-K96 WeakPolarHBondContact O-CG 3.38Å; G92-K96 PolarHBondContact O-N 3.27Å; A93-K96 WeakPolarHBondContact O-CB 3.39Å; A93-K96 PolarHBondContact O-N 3.37Å; A93-K96 VanDerWaalsContact O-N 3.15Å; H94-K96 PolarHBondContact O-N 2.86Å
97V95.4Very high94.7Very high15 Ų1566.7 Ų66.79%0.09133%0.328CS..Hα-helixtrans-77.8-29.9178.9-640000114W39 R40 L43 A93 H94W39-V97 VanDerWaalsContact C-CG1 3.41Å; W39-V97 HydrophobicContact CB-CG1 3.38Å; R40-V97 HydrophobicContact CB-CG1 4.37Å; R40-V97 HydrophobicContact CG-CB 3.89Å; R40-V97 HydrophobicContact CG-CG1 3.67Å; R40-V97 PolarHBondContact NH2-O 2.97Å; L43-V97 HydrophobicContact CD1-CG1 3.88Å; L43-V97 HydrophobicContact CD1-CG2 4.02Å; A93-V97 PolarHBondContact O-N 2.91Å; A93-V97 VanDerWaalsContact O-N 3.1Å; H94-V97 WeakPolarHBondContact O-CG2 3.41Å; H94-V97 PolarHBondContact O-N 3.23Å; H94-V97 VanDerWaalsContact O-N 3.13Å
98V94.7Very high94.6Very high36 Ų3667.7 Ų67.722%0.21832%0.323CS..Hα-helixtrans-91.6-11.5-178.6-58.70000113.9H94 S101 I102H94-V98 WeakPolarHBondContact O-CG2 3.39Å; H94-V98 PolarHBondContact O-N 3.06Å; V98-S101 PolarHBondContact O-N 3.09Å; V98-S101 PolarHBondContact O-OG 2.84Å; V98-I102 HydrophobicContact CB-CD1 4.1Å; V98-I102 HydrophobicContact CB-CG1 4.44Å; V98-I102 HydrophobicContact CG2-CD1 3.5Å; V98-I102 HydrophobicContact CG2-CG1 4.36Å; V98-I102 WeakPolarHBondContact O-CG1 3.5Å; V98-I102 PolarHBondContact O-N 3.44Å
99L94.5Very high94.6Very high73 Ų7371.7 Ų71.738%0.38234%0.343SS..Hα-helixtrans-55.9-45.4-174.6-172.463.2000114.2L32 K95 S101 I102 I103L32-L99 HydrophobicContact CD1-CD2 4.03Å; L32-L99 HydrophobicContact CD1-CG 4.03Å; L32-L99 HydrophobicContact CD2-CD2 3.87Å; K95-L99 WeakPolarHBondContact O-CB 3.31Å; K95-L99 PolarHBondContact O-N 2.8Å; K95-L99 VanDerWaalsContact O-N 3.17Å; L99-S101 VanDerWaalsContact C-N 3.35Å; L99-S101 PolarHBondContact O-N 2.78Å; L99-I102 PolarHBondContact O-N 3.23Å; L99-I103 HydrophobicContact CD1-CD1 4.3Å; L99-I103 HydrophobicContact CD1-CG1 4.5Å; L99-I103 HydrophobicContact CG-CD1 4.2Å; L99-I103 WeakPolarHBondContact O-CG1 3.42Å; L99-I103 PolarHBondContact O-N 3.15Å; L99-I103 VanDerWaalsContact O-N 3.11Å
100P92.8Very high94.5Very high14 Ų1470.6 Ų70.69%0.09135%0.345CS..Hα-helixtrans-62-40.9179-17.928.4000112.9L32 A36 I103 A104L32-P100 HydrophobicContact CB-CB 4.46Å; L32-P100 HydrophobicContact CB-CG 3.93Å; A36-P100 HydrophobicContact CB-CG 3.56Å; P100-I103 PolarHBondContact O-N 2.88Å; P100-A104 PolarHBondContact O-N 3.35Å
101S92.9Very high94.4Very high55 Ų5562.8 Ų62.839%0.38531%0.311SS..Hα-helixtrans-71.5-35.1-17953.50000111.9V98 L99 H105V98-S101 PolarHBondContact O-N 3.09Å; V98-S101 PolarHBondContact O-OG 2.84Å; L99-S101 VanDerWaalsContact C-N 3.35Å; L99-S101 PolarHBondContact O-N 2.78Å; S101-H105 WeakPolarHBondContact O-CB 3.4Å; S101-H105 PolarHBondContact O-N 3.21Å
102I95Very high94.3Very high67 Ų6759.3 Ų59.334%0.34430%0.299SS..Hα-helixtrans-62.5-46174-69169.6000110.5V98 L99 H105 R106V98-I102 HydrophobicContact CB-CD1 4.1Å; V98-I102 HydrophobicContact CB-CG1 4.44Å; V98-I102 HydrophobicContact CG2-CD1 3.5Å; V98-I102 HydrophobicContact CG2-CG1 4.36Å; V98-I102 WeakPolarHBondContact O-CG1 3.5Å; V98-I102 PolarHBondContact O-N 3.44Å; L99-I102 PolarHBondContact O-N 3.23Å; I102-H105 PolarHBondContact O-N 3.08Å; I102-R106 HydrophobicContact CG2-CG 4.41Å; I102-R106 WeakPolarHBondContact O-CG 3.41Å; I102-R106 PolarHBondContact O-N 3.25Å
103I94.9Very high94.2Very high42 Ų4265.6 Ų65.622%0.21533%0.325CS..Hα-helixtrans-62-51.8178.9-67.7172.5000110.2L25 I28 L32 L99 P100 H105 R106 S107L25-I103 HydrophobicContact CD1-CG2 4.09Å; I28-I103 HydrophobicContact CG2-CD1 3.84Å; I28-I103 HydrophobicContact CG2-CG2 4.32Å; L32-I103 HydrophobicContact CD1-CD1 3.39Å; L99-I103 HydrophobicContact CD1-CD1 4.3Å; L99-I103 HydrophobicContact CD1-CG1 4.5Å; L99-I103 HydrophobicContact CG-CD1 4.2Å; L99-I103 WeakPolarHBondContact O-CG1 3.42Å; L99-I103 PolarHBondContact O-N 3.15Å; L99-I103 VanDerWaalsContact O-N 3.11Å; P100-I103 PolarHBondContact O-N 2.88Å; I103-H105 VanDerWaalsContact C-N 3.25Å; I103-H105 PolarHBondContact O-N 3.01Å; I103-R106 PolarHBondContact O-N 2.82Å; I103-S107 PolarHBondContact O-N 3.14Å; I103-S107 PolarHBondContact O-OG 2.7Å; I103-S107 VanDerWaalsContact O-OG 3.12Å
104A94.1Very high94.1Very high1 Ų173.2 Ų73.21%0.00836%0.355CS..Hα-helixtrans-58.2-38.4178.100000112.3I29 P100 R108I29-A104 HydrophobicContact CD1-CB 4.04Å; P100-A104 PolarHBondContact O-N 3.35Å; A104-R108 WeakPolarHBondContact O-CG 3.16Å; A104-R108 PolarHBondContact O-N 3.4Å
105H95.5Very high94Very high104 Ų10471.8 Ų71.848%0.48135%0.351SS..Hα-helixtrans-67.8-44.8177.1-178.674000112.6S101 I102 I103 S107 R108 I109S101-H105 WeakPolarHBondContact O-CB 3.4Å; S101-H105 PolarHBondContact O-N 3.21Å; I102-H105 PolarHBondContact O-N 3.08Å; I103-H105 VanDerWaalsContact C-N 3.25Å; I103-H105 PolarHBondContact O-N 3.01Å; H105-S107 VanDerWaalsContact C-N 3.32Å; H105-S107 PolarHBondContact O-N 3.47Å; H105-R108 WeakPolarHBondContact O-CB 3.41Å; H105-R108 PolarHBondContact O-N 2.83Å; H105-R108 VanDerWaalsContact O-N 3.15Å; H105-I109 PolarHBondContact O-N 3.36Å; H105-I109 VanDerWaalsContact O-N 3.08Å
106R95.4Very high93.9Very high173 Ų17364.8 Ų64.865%0.65332%0.321SS*.Hα-helixtrans-61.6-41.9175.9-72.5179.7-179.4-162.3-0.5111.7I102 I103 R108 I109 V110I102-R106 HydrophobicContact CG2-CG 4.41Å; I102-R106 WeakPolarHBondContact O-CG 3.41Å; I102-R106 PolarHBondContact O-N 3.25Å; I103-R106 PolarHBondContact O-N 2.82Å; R106-R108 VanDerWaalsContact C-N 3.32Å; R106-R108 PolarHBondContact O-N 3.33Å; R106-I109 PolarHBondContact O-N 3.02Å; R106-V110 PolarHBondContact O-N 2.9Å
107S95.6Very high93.9Very high19 Ų1961.8 Ų61.813%0.13331%0.309CS..Hα-helixtrans-59.7-42.4173.7-60.40000111.5L25 I103 H105 I109 V110 L111L25-S107 WeakPolarHBondContact CD1-OG 3.17Å; I103-S107 PolarHBondContact O-N 3.14Å; I103-S107 PolarHBondContact O-OG 2.7Å; I103-S107 VanDerWaalsContact O-OG 3.12Å; H105-S107 VanDerWaalsContact C-N 3.32Å; H105-S107 PolarHBondContact O-N 3.47Å; S107-I109 VanDerWaalsContact C-N 3.33Å; S107-I109 PolarHBondContact O-N 2.92Å; S107-V110 PolarHBondContact O-N 3.31Å; S107-L111 VanDerWaalsContact O-CB 3.29Å; S107-L111 WeakPolarHBondContact O-CB 3.49Å; S107-L111 WeakPolarHBondContact O-CG 3.33Å; S107-L111 PolarHBondContact O-N 2.78Å
108R95.5Very high93.9Very high64 Ų6461.3 Ų61.324%0.24231%0.306CS..Hα-helixtrans-60.7-37.9175.2-79.1-176-75.3-100.36.2113.6A104 H105 R106 A112 C118 N120A104-R108 WeakPolarHBondContact O-CG 3.16Å; A104-R108 PolarHBondContact O-N 3.4Å; H105-R108 WeakPolarHBondContact O-CB 3.41Å; H105-R108 PolarHBondContact O-N 2.83Å; H105-R108 VanDerWaalsContact O-N 3.15Å; R106-R108 VanDerWaalsContact C-N 3.32Å; R106-R108 PolarHBondContact O-N 3.33Å; R108-A112 WeakPolarHBondContact O-CB 3.29Å; R108-A112 PolarHBondContact O-N 3.33Å; R108-C118 WeakPolarHBondContact CD-O 3.38Å; R108-C118 WeakPolarHBondContact CG-O 3.42Å; R108-C118 PolarHBondContact NH1-O 3.29Å; R108-C118 VanDerWaalsContact NH1-O 3.09Å; R108-N120 PolarHBondContact NH1-OD1 3.01Å; R108-N120 PolarHBondContact NH2-OD1 3.32Å
109I95.7Very high93.8Very high95 Ų9562 Ų6249%0.48731%0.309SS..Hα-helixtrans-61.7-50.7177.7-66.8169.1000109.7H105 R106 S107 A112H105-I109 PolarHBondContact O-N 3.36Å; H105-I109 VanDerWaalsContact O-N 3.08Å; R106-I109 PolarHBondContact O-N 3.02Å; S107-I109 VanDerWaalsContact C-N 3.33Å; S107-I109 PolarHBondContact O-N 2.92Å; I109-A112 WeakPolarHBondContact O-CB 3.33Å; I109-A112 PolarHBondContact O-N 3.04Å
110V94Very high93.7Very high84 Ų8464.2 Ų64.251%0.50932%0.321SS..Hα-helixtrans-64.8-43.9179.8178.20000111.3R106 S107 A112 E113 Y114R106-V110 PolarHBondContact O-N 2.9Å; S107-V110 PolarHBondContact O-N 3.31Å; V110-A112 PolarHBondContact O-N 3.37Å; V110-E113 PolarHBondContact O-N 3.11Å; V110-Y114 WeakPolarHBondContact O-CD2 3.35Å
111L94.1Very high93.6Very high11 Ų1165.3 Ų65.36%0.05833%0.329CS..Hα-helixtrans-65.2-27180-72171.9000113.1F21 S107 E113 Y114 M116 C118 L124F21-L111 HydrophobicContact CE1-CD1 4.3Å; F21-L111 HydrophobicContact CE1-CD2 4.09Å; F21-L111 HydrophobicContact CE1-CG 4.5Å; S107-L111 VanDerWaalsContact O-CB 3.29Å; S107-L111 WeakPolarHBondContact O-CB 3.49Å; S107-L111 WeakPolarHBondContact O-CG 3.33Å; S107-L111 PolarHBondContact O-N 2.78Å; L111-E113 PolarHBondContact O-N 3.17Å; L111-Y114 PolarHBondContact O-N 2.91Å; L111-M116 CarbonylContact C-O 3.51Å; L111-M116 HydrophobicContact CB-CB 3.92Å; L111-M116 HydrophobicContact CD2-CB 4.02Å; L111-M116 HydrophobicContact CD2-CE 4.46Å; L111-M116 HydrophobicContact CD2-SD 4.46Å; L111-M116 HydrophobicContact CG-CB 4.48Å; L111-M116 CarbonylContact O-C 3.6Å; L111-M116 WeakPolarHBondContact O-CA 3.28Å; L111-M116 WeakPolarHBondContact O-CB 3.05Å; L111-M116 PolarHBondContact O-N 3Å; L111-C118 HydrophobicContact CD1-CB 3.8Å; L111-L124 HydrophobicContact CD1-CD2 3.53Å; L111-L124 HydrophobicContact CD2-CD2 4.04Å; L111-L124 HydrophobicContact CG-CD2 4.46Å
112A92.3Very high93.5Very high45 Ų4562.7 Ų62.737%0.37231%0.311SS..Hα-helixtrans-62.4-31.6179.900000112.4R108 I109 V110 Y114 N115 M116R108-A112 WeakPolarHBondContact O-CB 3.29Å; R108-A112 PolarHBondContact O-N 3.33Å; I109-A112 WeakPolarHBondContact O-CB 3.33Å; I109-A112 PolarHBondContact O-N 3.04Å; V110-A112 PolarHBondContact O-N 3.37Å; A112-Y114 PolarHBondContact O-N 3.32Å; A112-N115 PolarHBondContact O-N 2.96Å; A112-M116 WeakPolarHBondContact CA-O 3.42Å; A112-M116 PolarHBondContact N-O 2.78Å
113E91.5Very high93.5Very high146 Ų14664.6 Ų64.668%0.68232%0.317SS*.THydrogen-bonded Turntrans-62.5-25.6175.7-61.5178.1-170.500112.3V110 L111V110-E113 PolarHBondContact O-N 3.11Å; L111-E113 PolarHBondContact O-N 3.17Å
114Y90.4Very high93.5Very high161 Ų16163.6 Ų63.663%0.63131%0.312SS*.THydrogen-bonded Turntrans-10214.9-178.6-60.1-81000113.3V110 L111 A112 M116V110-Y114 WeakPolarHBondContact O-CD2 3.35Å; L111-Y114 PolarHBondContact O-N 2.91Å; A112-Y114 PolarHBondContact O-N 3.32Å; Y114-M116 WeakPolarHBondContact O-CG 3.4Å; Y114-M116 PolarHBondContact O-N 2.87Å
115N91.3Very high93.4Very high71 Ų7167.4 Ų67.438%0.3833%0.331SS..THydrogen-bonded Turntrans54.737.7-170-59.2-67.9000112.2A112 R127A112-N115 PolarHBondContact O-N 2.96Å; N115-R127 WeakPolarHBondContact O-CA 3.45Å; N115-R127 VanDerWaalsContact O-CB 3.25Å; N115-R127 WeakPolarHBondContact O-CB 3.44Å; N115-R127 PolarHBondContact O-N 2.98Å
116M93.1Very high93.2Very high14 Ų1468.7 Ų68.77%0.06934%0.341CS..EExtended strand (participates in β ladder)trans-121.6164.5176.2-60.1-173.861.800110.2L18 L111 A112 Y114 L124 I125 L126L18-M116 HydrophobicContact CD1-CE 4.19Å; L18-M116 HydrophobicContact CD1-SD 4.29Å; L18-M116 HydrophobicContact CD2-CE 3.72Å; L18-M116 HydrophobicContact CD2-SD 3.84Å; L111-M116 CarbonylContact C-O 3.51Å; L111-M116 HydrophobicContact CB-CB 3.92Å; L111-M116 HydrophobicContact CD2-CB 4.02Å; L111-M116 HydrophobicContact CD2-CE 4.46Å; L111-M116 HydrophobicContact CD2-SD 4.46Å; L111-M116 HydrophobicContact CG-CB 4.48Å; L111-M116 CarbonylContact O-C 3.6Å; L111-M116 WeakPolarHBondContact O-CA 3.28Å; L111-M116 WeakPolarHBondContact O-CB 3.05Å; L111-M116 PolarHBondContact O-N 3Å; A112-M116 WeakPolarHBondContact CA-O 3.42Å; A112-M116 PolarHBondContact N-O 2.78Å; Y114-M116 WeakPolarHBondContact O-CG 3.4Å; Y114-M116 PolarHBondContact O-N 2.87Å; M116-L124 HydrophobicContact CE-CB 4.13Å; M116-L124 HydrophobicContact CE-CD1 3.82Å; M116-L124 HydrophobicContact CE-CD2 4.24Å; M116-L124 HydrophobicContact CE-CG 4.3Å; M116-I125 CarbonylContact C-O 3.46Å; M116-I125 WeakPolarHBondContact CA-O 3.46Å; M116-L126 HydrophobicContact CE-CD2 3.68Å; M116-L126 HydrophobicContact CG-CD2 3.89Å; M116-L126 HydrophobicContact SD-CD2 3.99Å
117A94.3Very high92.8Very high8 Ų867 Ų677%0.06633%0.334CS..EExtended strand (participates in β ladder)trans-144.9173.9169.200000109.3L124 I125A117-L124 CarbonylContact O-C 3.5Å; A117-L124 WeakPolarHBondContact O-CA 3.47Å; A117-I125 HydrophobicContact CB-CB 4.39Å; A117-I125 PolarHBondContact N-O 2.85Å; A117-I125 PolarHBondContact O-N 3.22Å
118C94.4Very high92.2Very high4 Ų471.7 Ų71.73%0.02736%0.364CS..EExtended strand (participates in β ladder)trans-135.5148.6166.372.60000112.1L25 R108 L111 K123 L124L25-C118 HydrophobicContact CD2-CB 4.05Å; R108-C118 WeakPolarHBondContact CD-O 3.38Å; R108-C118 WeakPolarHBondContact CG-O 3.42Å; R108-C118 PolarHBondContact NH1-O 3.29Å; R108-C118 VanDerWaalsContact NH1-O 3.09Å; L111-C118 HydrophobicContact CD1-CB 3.8Å; C118-K123 CarbonylContact C-O 3.42Å; C118-K123 WeakPolarHBondContact CA-O 3.49Å; C118-K123 VanDerWaalsContact CB-O 3.28Å; C118-K123 WeakPolarHBondContact CB-O 3.35Å; C118-L124 HydrophobicContact CB-CD2 4.28Å
119D93.4Very high91.2Very high51 Ų5176.4 Ų76.427%0.27339%0.387SS..  trans-75.4-179.3172.573.912.3000111.7S121 G122 K123 I125D119-S121 VanDerWaalsContact CG-OG 3.23Å; D119-S121 PolarHBondContact O-N 2.75Å; D119-S121 VanDerWaalsContact OD1-CA 3.25Å; D119-S121 WeakPolarHBondContact OD1-CA 3.23Å; D119-S121 WeakPolarHBondContact OD1-CB 3.32Å; D119-S121 PolarHBondContact OD1-N 2.96Å; D119-S121 PolarHBondContact OD1-OG 2.83Å; D119-S121 PolarHBondContact OD2-OG 3.06Å; D119-S121 VanDerWaalsContact OD2-OG 3.06Å; D119-G122 PolarHBondContact O-N 3.49Å; D119-G122 PolarHBondContact OD1-N 2.99Å; D119-K123 HydrophobicContact CB-CB 4.47Å; D119-K123 PolarHBondContact N-O 3.25Å; D119-K123 WeakPolarHBondContact OD1-CB 3.42Å; D119-K123 PolarHBondContact OD1-N 3.02Å; D119-K123 WeakPolarHBondContact OD2-CB 3.38Å; D119-I125 HydrophobicContact CB-CD1 4.2Å
120N91.1Very high90.1Very high119 Ų11975.9 Ų75.964%0.63639%0.39SS*.THydrogen-bonded Turntrans-74.3-7.2178.5-67.4-30.6000113.9I29 R108I29-N120 WeakPolarHBondContact CG2-O 3.49Å; R108-N120 PolarHBondContact NH1-OD1 3.01Å; R108-N120 PolarHBondContact NH2-OD1 3.32Å
121S91.2Very high89Confident38 Ų3879.5 Ų79.527%0.26641%0.406SS..THydrogen-bonded Turntrans-93.2-8.4171.880.40000112.7R26 D119R26-S121 WeakPolarHBondContact CG-O 3.48Å; R26-S121 PolarHBondContact NH1-OG 3.49Å; D119-S121 VanDerWaalsContact CG-OG 3.23Å; D119-S121 PolarHBondContact O-N 2.75Å; D119-S121 VanDerWaalsContact OD1-CA 3.25Å; D119-S121 WeakPolarHBondContact OD1-CA 3.23Å; D119-S121 WeakPolarHBondContact OD1-CB 3.32Å; D119-S121 PolarHBondContact OD1-N 2.96Å; D119-S121 PolarHBondContact OD1-OG 2.83Å; D119-S121 PolarHBondContact OD2-OG 3.06Å; D119-S121 VanDerWaalsContact OD2-OG 3.06Å
122G91.5Very high87Confident0 Ų090.4 Ų90.40%046%0.463CS..  trans90.66.6-174.600000114.7D119 L124D119-G122 PolarHBondContact O-N 3.49Å; D119-G122 PolarHBondContact OD1-N 2.99Å; G122-L124 PolarHBondContact O-N 2.72Å
123K94.1Very high86.8Confident106 Ų10692.7 Ų92.746%0.46147%0.468SS..  trans-63.6132.1173.9-170.1163.4-174.5177.80110R26 C118 D119R26-K123 VanDerWaalsContact NH2-CD 3.35Å; C118-K123 CarbonylContact C-O 3.42Å; C118-K123 WeakPolarHBondContact CA-O 3.49Å; C118-K123 VanDerWaalsContact CB-O 3.28Å; C118-K123 WeakPolarHBondContact CB-O 3.35Å; D119-K123 HydrophobicContact CB-CB 4.47Å; D119-K123 PolarHBondContact N-O 3.25Å; D119-K123 WeakPolarHBondContact OD1-CB 3.42Å; D119-K123 PolarHBondContact OD1-N 3.02Å; D119-K123 WeakPolarHBondContact OD2-CB 3.38Å
124L95Very high86.5Confident22 Ų2289.9 Ų89.912%0.11546%0.457CS..EExtended strand (participates in β ladder)trans-75.7140.9172.1-65.5178.5000111L18 F21 E22 L111 M116 A117 C118 G122L18-L124 HydrophobicContact CB-CD1 4.3Å; L18-L124 HydrophobicContact CD2-CD1 4.3Å; L18-L124 WeakPolarHBondContact O-CD1 3.25Å; F21-L124 HydrophobicContact CD1-CD1 4.09Å; F21-L124 HydrophobicContact CD1-CD2 3.98Å; F21-L124 HydrophobicContact CD1-CG 4.47Å; F21-L124 HydrophobicContact CE1-CD2 3.94Å; E22-L124 HydrophobicContact CB-CD1 3.79Å; E22-L124 HydrophobicContact CB-CG 3.83Å; E22-L124 HydrophobicContact CG-CG 4.14Å; L111-L124 HydrophobicContact CD1-CD2 3.53Å; L111-L124 HydrophobicContact CD2-CD2 4.04Å; L111-L124 HydrophobicContact CG-CD2 4.46Å; M116-L124 HydrophobicContact CE-CB 4.13Å; M116-L124 HydrophobicContact CE-CD1 3.82Å; M116-L124 HydrophobicContact CE-CD2 4.24Å; M116-L124 HydrophobicContact CE-CG 4.3Å; A117-L124 CarbonylContact O-C 3.5Å; A117-L124 WeakPolarHBondContact O-CA 3.47Å; C118-L124 HydrophobicContact CB-CD2 4.28Å; G122-L124 PolarHBondContact O-N 2.72Å
125I92.3Very high86.3Confident81 Ų8185.9 Ų85.942%0.41545%0.447SS..EExtended strand (participates in β ladder)trans-127117.7177.4-59.2169.5000106.6M116 A117 D119M116-I125 CarbonylContact C-O 3.46Å; M116-I125 WeakPolarHBondContact CA-O 3.46Å; A117-I125 HydrophobicContact CB-CB 4.39Å; A117-I125 PolarHBondContact N-O 2.85Å; A117-I125 PolarHBondContact O-N 3.22Å; D119-I125 HydrophobicContact CB-CD1 4.2Å
126L91.1Very high86Confident131 Ų13186.8 Ų86.869%0.68645%0.451SS*.EExtended strand (participates in β ladder)trans-76.5129.6171.8-62.4173.8000108.6M116M116-L126 HydrophobicContact CE-CD2 3.68Å; M116-L126 HydrophobicContact CG-CD2 3.89Å; M116-L126 HydrophobicContact SD-CD2 3.99Å
127R87Confident85.5Confident136 Ų13691.4 Ų91.451%0.51348%0.475SS..PPolyproline II helixtrans-92146.4171.5-61.1-176.1172.7179.30.3108.9N115 K129N115-R127 WeakPolarHBondContact O-CA 3.45Å; N115-R127 VanDerWaalsContact O-CB 3.25Å; N115-R127 WeakPolarHBondContact O-CB 3.44Å; N115-R127 PolarHBondContact O-N 2.98Å; R127-K129 PolarHBondContact O-N 2.72Å
128P82.9Confident85Confident118 Ų11896.9 Ų96.977%0.76650%0.502SS*.PPolyproline II helixtrans-58.4141.9172.923.9-31.6000109.6
129K75.2Confident84.3Confident163 Ų163103.6 Ų103.671%0.70954%0.536SS*.PPolyproline II helixtrans-58.7134.7172.9-170.6176.8-179.8-179.60108R127 N131R127-K129 PolarHBondContact O-N 2.72Å; K129-N131 PolarHBondContact O-N 3.2Å
130P71.2Confident83.6Confident85 Ų85107.6 Ų107.655%0.55256%0.556SS**PPolyproline II helixtrans-57118.8172.619.5-28000108.2L132P130-L132 PolarHBondContact O-N 3.04Å
131N71.2Confident83Confident160 Ų160106.7 Ų106.786%0.85655%0.55SS*.PPolyproline II helixtrans-64.2116.2172.3-64.6-28.8000106.4K129K129-N131 PolarHBondContact O-N 3.2Å
132L53Low82.2Confident240 Ų240112.9 Ų112.9100%1.25758%0.575SS**  trans-67.90162.9-86.7144000109.1P130P130-L132 PolarHBondContact O-N 3.04Å

Retrieved 132 of 132 residues in 231.8 ms (Link to these results)