G4VA66_SCHMA Loading...

Putative rrna processing protein (Rrp20)

AlphaFold DB , UniProt , Accession G4VA66, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 191 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.4Very low50.3Low241 Ų241132.2 Ų132.2100%1.18771%0.706SS**  083.50-72.2172.4174.900107.9T3M1-T3 PolarHBondContact O-N 3.37Å
2T35.9Very low53.7Low136 Ų136129.2 Ų129.283%0.83468%0.677SS**  trans-74.5100.6168.726.30000106.7V4T2-V4 VanDerWaalsContact C-N 3.29Å; T2-V4 PolarHBondContact O-N 3.29Å
3T31.6Very low56.7Low128 Ų128123.9 Ų123.979%0.78565%0.654SS**  trans-56.199.5163.539.10000107.2M1 E5M1-T3 PolarHBondContact O-N 3.37Å; T3-E5 VanDerWaalsContact C-N 3.28Å; T3-E5 PolarHBondContact O-N 3.29Å
4V43.9Very low59.3Low131 Ų131115.9 Ų115.979%0.79461%0.611SS**  trans-60.2103.4160.6-167.10000103.6T2 N6T2-V4 VanDerWaalsContact C-N 3.29Å; T2-V4 PolarHBondContact O-N 3.29Å; V4-N6 PolarHBondContact O-N 3.06Å
5E36.4Very low61.5Low168 Ų168115.8 Ų115.879%0.78561%0.61SS**  trans-48.3110.7172.4-78.3179.5148.700107T3 K7T3-E5 VanDerWaalsContact C-N 3.28Å; T3-E5 PolarHBondContact O-N 3.29Å; E5-K7 PolarHBondContact O-N 3.46Å
6N39.9Very low63.5Low143 Ų143108.8 Ų108.877%0.76557%0.573SS**  trans-55.796.7164.6-95.1-27.4000106.1V4 S8V4-N6 PolarHBondContact O-N 3.06Å; N6-S8 PolarHBondContact O-N 3.18Å; N6-S8 PolarHBondContact O-OG 3.22Å
7K46.8Very low65.2Low159 Ų159105.5 Ų105.569%0.69156%0.559SS**  trans-67.250.4153.7-90-178.6173.7174.80108.8E5 D9E5-K7 PolarHBondContact O-N 3.46Å; K7-D9 PolarHBondContact O-N 3.2Å
8S49.8Very low66.7Low83 Ų83109.2 Ų109.258%0.5857%0.57SS**THydrogen-bonded Turntrans-67.1113.5178.242.90000107.8N6N6-S8 PolarHBondContact O-N 3.18Å; N6-S8 PolarHBondContact O-OG 3.22Å
9D68Low68Low92 Ų92110.2 Ų110.249%0.49258%0.576SS.*THydrogen-bonded Turntrans78.744.8161.6-68.219.8000117.6K7 I11 K57K7-D9 PolarHBondContact O-N 3.2Å; D9-I11 PolarHBondContact O-N 3.09Å; D9-K57 WeakPolarHBondContact OD1-CE 3.44Å; D9-K57 IonicContact OD1-NZ 3.79Å; D9-K57 PolarHBondContact OD1-NZ 2.86Å; D9-K57 IonicContact OD2-NZ 3.94Å; D9-K57 PolarHBondContact OD2-NZ 2.85Å
10E78.6Confident69.2Low86 Ų86106.8 Ų106.840%0.40256%0.555SS.*  trans-68.796.8161.2-160.5-179.7166.100109.8R12 L68E10-R12 IonicContact OE1-CZ 3.11Å; E10-R12 VanDerWaalsContact OE1-CZ 3.29Å; E10-R12 IonicContact OE1-NE 2.73Å; E10-R12 PolarHBondContact OE1-NE 3.23Å; E10-R12 VanDerWaalsContact OE1-NE 3.11Å; E10-R12 IonicContact OE1-NH2 2.66Å; E10-R12 PolarHBondContact OE1-NH2 2.85Å; E10-L68 HydrophobicContact CB-CD2 3.88Å; E10-L68 HydrophobicContact CG-CD2 3.87Å
11I86.6Confident70.3Confident87 Ų87104.2 Ų104.245%0.44654%0.538SS..EExtended strand (participates in β ladder)trans-96.9117.9178.2-60.2170.5000108.8D9 F55 K57D9-I11 PolarHBondContact O-N 3.09Å; I11-F55 HydrophobicContact CG2-CB 4.43Å; I11-F55 HydrophobicContact CG2-CD1 3.97Å; I11-K57 HydrophobicContact CG1-CB 4.33Å; I11-K57 HydrophobicContact CG1-CD 4.2Å; I11-K57 HydrophobicContact CG1-CG 4.12Å
12R91.4Very high73.1Confident96 Ų9697.5 Ų97.536%0.36251%0.511SS..EExtended strand (participates in β ladder)trans-96131.2170.6-64.4-66.7-177.2158.30.3109.6E10 F55 I56 L68 F72E10-R12 IonicContact OE1-CZ 3.11Å; E10-R12 VanDerWaalsContact OE1-CZ 3.29Å; E10-R12 IonicContact OE1-NE 2.73Å; E10-R12 PolarHBondContact OE1-NE 3.23Å; E10-R12 VanDerWaalsContact OE1-NE 3.11Å; E10-R12 IonicContact OE1-NH2 2.66Å; E10-R12 PolarHBondContact OE1-NH2 2.85Å; R12-F55 WeakPolarHBondContact O-CA 3.39Å; R12-I56 PolarHBondContact N-O 3Å; R12-I56 PolarHBondContact O-N 3.16Å; R12-L68 HydrophobicContact CG-CD1 4.18Å; R12-L68 HydrophobicContact CG-CD2 4.07Å; R12-L68 HydrophobicContact CG-CG 4.01Å; R12-F72 HydrophobicContact CB-CD2 3.81Å; R12-F72 HydrophobicContact CB-CE2 4.43Å; R12-F72 HydrophobicContact CG-CD2 4.48Å
13T92.6Very high75.9Confident61 Ų6192.8 Ų92.837%0.37448%0.483SS..EExtended strand (participates in β ladder)trans-115.6132-179.6-550000110.3K53 V54 F55T13-K53 HydrophobicContact CG2-CB 4.18Å; T13-K53 HydrophobicContact CG2-CD 4.13Å; T13-K53 HydrophobicContact CG2-CG 4.43Å; T13-V54 CarbonylContact C-O 3.57Å; T13-V54 WeakPolarHBondContact CA-O 3.4Å; T13-F55 HydrophobicContact CG2-CD1 4.05Å; T13-F55 HydrophobicContact CG2-CE1 3.73Å; T13-F55 HydrophobicContact CG2-CZ 4.17Å; T13-F55 WeakPolarHBondContact OG1-CD1 3.44Å; T13-F55 WeakPolarHBondContact OG1-CE1 3.45Å
14L93.1Very high78.8Confident11 Ų1186.7 Ų86.76%0.05845%0.445CS..EExtended strand (participates in β ladder)trans-115.3135.2172.5-75.4165.9000110K53 V54 I56 F72 V75 N76 L79L14-K53 CarbonylContact O-C 3.56Å; L14-K53 VanDerWaalsContact O-CA 3.3Å; L14-K53 WeakPolarHBondContact O-CA 3.49Å; L14-V54 HydrophobicContact CB-CB 4.34Å; L14-V54 PolarHBondContact N-O 2.86Å; L14-V54 PolarHBondContact O-N 2.84Å; L14-I56 HydrophobicContact CD1-CD1 4.23Å; L14-F72 HydrophobicContact CD1-CD2 3.83Å; L14-F72 HydrophobicContact CD1-CE2 4.08Å; L14-F72 HydrophobicContact CD1-CG 4.41Å; L14-F72 HydrophobicContact CD2-CD2 3.83Å; L14-F72 HydrophobicContact CD2-CE1 4.19Å; L14-F72 HydrophobicContact CD2-CE2 3.2Å; L14-F72 HydrophobicContact CD2-CZ 3.4Å; L14-F72 VanDerWaalsContact CD2-CZ 3.4Å; L14-F72 HydrophobicContact CG-CD2 3.63Å; L14-F72 HydrophobicContact CG-CE2 3.39Å; L14-F72 HydrophobicContact CG-CZ 4.14Å; L14-V75 HydrophobicContact CD1-CB 3.53Å; L14-V75 HydrophobicContact CD1-CG1 3.51Å; L14-N76 HydrophobicContact CD1-CB 4.4Å; L14-N76 HydrophobicContact CD2-CB 4.03Å; L14-L79 HydrophobicContact CB-CD1 4.02Å; L14-L79 HydrophobicContact CD1-CD1 4.48Å
15I93Very high81.1Confident115 Ų11589 Ų8959%0.5944%0.439SS*.EExtended strand (participates in β ladder)trans-90.7130.5174.4-58.2174.6000108.1P17I15-P17 WeakPolarHBondContact O-CD 3.41Å
16V93.4Very high83.9Confident3 Ų386.7 Ų86.72%0.01843%0.433CS..PPolyproline II helixtrans-90.4117.4179.5-179.20000109.9R21 I24 W52 V54 L79V16-R21 HydrophobicContact CG1-CG 4.07Å; V16-I24 HydrophobicContact CG1-CG2 3.99Å; V16-I24 HydrophobicContact CG2-CD1 4.27Å; V16-W52 HydrophobicContact CB-CB 3.85Å; V16-W52 HydrophobicContact CG1-CB 4.48Å; V16-W52 HydrophobicContact CG2-CB 4.18Å; V16-W52 PolarHBondContact N-O 3.18Å; V16-V54 HydrophobicContact CG2-CG2 3.82Å; V16-L79 HydrophobicContact CB-CD2 4.23Å; V16-L79 HydrophobicContact CG1-CD2 3.84Å; V16-L79 HydrophobicContact CG2-CD1 4.39Å; V16-L79 HydrophobicContact CG2-CD2 4.09Å
17P92.6Very high86.5Confident53 Ų5381.4 Ų81.434%0.34441%0.407SS..PPolyproline II helixtrans-59.6148.5174.3-25.537.1000112.3I15 N19 R20 R21I15-P17 WeakPolarHBondContact O-CD 3.41Å; P17-N19 VanDerWaalsContact C-N 3.32Å; P17-N19 WeakPolarHBondContact CB-OD1 3.22Å; P17-N19 PolarHBondContact O-N 2.97Å; P17-R20 HydrophobicContact CB-CB 4.44Å; P17-R20 HydrophobicContact CB-CG 4.35Å; P17-R20 PolarHBondContact O-N 3.4Å; P17-R21 PolarHBondContact O-N 2.99Å
18K91.4Very high88.7Confident172 Ų17276.1 Ų76.175%0.74838%0.383SS*.G310 helixtrans-57.4-43.4-176.5-70.7-177.3-178.2176.80112.6R20 R21K18-R20 PolarHBondContact O-N 3.4Å; K18-R21 PolarHBondContact O-N 3.25Å
19N92Very high90.9Very high129 Ų12976.3 Ų76.369%0.6938%0.382SS*.G310 helixtrans-66.4-14.5177.762.3-32000114.1P17P17-N19 VanDerWaalsContact C-N 3.32Å; P17-N19 WeakPolarHBondContact CB-OD1 3.22Å; P17-N19 PolarHBondContact O-N 2.97Å
20R92.1Very high92.2Very high42 Ų4274.3 Ų74.316%0.15838%0.375CS..G310 helixtrans-106.82.2-178.4-62.6-65.2-64.5170.3-2.1114.3P17 K18 P23 I24 F78 L79P17-R20 HydrophobicContact CB-CB 4.44Å; P17-R20 HydrophobicContact CB-CG 4.35Å; P17-R20 PolarHBondContact O-N 3.4Å; K18-R20 PolarHBondContact O-N 3.4Å; R20-P23 WeakPolarHBondContact O-CD 3.5Å; R20-I24 WeakPolarHBondContact O-CB 3.3Å; R20-I24 VanDerWaalsContact O-CG2 3.31Å; R20-I24 WeakPolarHBondContact O-CG2 3.46Å; R20-I24 PolarHBondContact O-N 3.01Å; R20-F78 PolarHBondContact NE-O 3.49Å; R20-F78 PolarHBondContact NH2-O 3.46Å; R20-L79 HydrophobicContact CB-CD2 4.3Å; R20-L79 WeakPolarHBondContact CG-O 3.29Å
21R91.9Very high92.9Very high53 Ų5370.2 Ų70.220%0.236%0.356CS..Hα-helixtrans-63.1-45.3177.9-67.4-177.1-175.2-174.60.7113.5V16 P17 K18 I24 R25 K50 W52V16-R21 HydrophobicContact CG1-CG 4.07Å; P17-R21 PolarHBondContact O-N 2.99Å; K18-R21 PolarHBondContact O-N 3.25Å; R21-I24 VanDerWaalsContact O-CG2 3.3Å; R21-I24 WeakPolarHBondContact O-CG2 3.19Å; R21-R25 WeakPolarHBondContact O-CB 3.32Å; R21-R25 PolarHBondContact O-N 2.86Å; R21-R25 VanDerWaalsContact O-N 3.13Å; R21-K50 PolarHBondContact NH2-O 3.42Å; R21-W52 HydrophobicContact CB-CD2 4.35Å; R21-W52 HydrophobicContact CB-CE3 3.82Å; R21-W52 HydrophobicContact CB-CH2 3.97Å; R21-W52 HydrophobicContact CB-CZ2 4.5Å; R21-W52 HydrophobicContact CB-CZ3 3.61Å; R21-W52 HydrophobicContact CG-CD2 3.85Å; R21-W52 HydrophobicContact CG-CE3 3.66Å; R21-W52 HydrophobicContact CG-CG 4.39Å; R21-W52 HydrophobicContact CG-CH2 4.49Å; R21-W52 HydrophobicContact CG-CZ3 4Å; R21-W52 WeakPolarHBondContact O-CZ3 3.48Å
22T93.3Very high93.3Very high100 Ų10067.9 Ų67.961%0.61335%0.346SS*.Hα-helixtrans-68.2-48.6178.8-45.80000111.7I24 R25 N26T22-I24 PolarHBondContact O-N 2.76Å; T22-R25 PolarHBondContact O-N 3.42Å; T22-N26 PolarHBondContact O-N 3.05Å; T22-N26 VanDerWaalsContact O-N 3.13Å; T22-N26 PolarHBondContact O-OD1 2.72Å
23P94.5Very high93.5Very high37 Ų3767.6 Ų67.624%0.2435%0.349CS..Hα-helixtrans-57.1-44.7175.6-27.134.5000114R20 R25 N26 S27 F78R20-P23 WeakPolarHBondContact O-CD 3.5Å; P23-R25 PolarHBondContact O-N 3.15Å; P23-N26 PolarHBondContact O-N 3.47Å; P23-S27 PolarHBondContact O-N 3.35Å; P23-S27 PolarHBondContact O-OG 2.87Å; P23-F78 HydrophobicContact CB-CE1 4.34Å; P23-F78 HydrophobicContact CB-CZ 4.15Å
24I93.9Very high93.6Very high0 Ų065.2 Ų65.20%033%0.334CS..Hα-helixtrans-66.6-38.9-179.2-164.4163.9000111.5V16 R20 R21 T22 N26 S27 W28 I31 M45 W52 V54 F78 L79V16-I24 HydrophobicContact CG1-CG2 3.99Å; V16-I24 HydrophobicContact CG2-CD1 4.27Å; R20-I24 WeakPolarHBondContact O-CB 3.3Å; R20-I24 VanDerWaalsContact O-CG2 3.31Å; R20-I24 WeakPolarHBondContact O-CG2 3.46Å; R20-I24 PolarHBondContact O-N 3.01Å; R21-I24 VanDerWaalsContact O-CG2 3.3Å; R21-I24 WeakPolarHBondContact O-CG2 3.19Å; T22-I24 PolarHBondContact O-N 2.76Å; I24-N26 VanDerWaalsContact C-N 3.32Å; I24-N26 PolarHBondContact O-N 3.17Å; I24-S27 PolarHBondContact O-N 3.34Å; I24-W28 HydrophobicContact CD1-CE3 4.24Å; I24-W28 HydrophobicContact CD1-CZ3 4.14Å; I24-W28 HydrophobicContact CG1-CE3 3.89Å; I24-W28 HydrophobicContact CG1-CZ3 4.3Å; I24-W28 VanDerWaalsContact O-CA 3.32Å; I24-W28 WeakPolarHBondContact O-CA 3.33Å; I24-W28 VanDerWaalsContact O-CB 3.22Å; I24-W28 WeakPolarHBondContact O-CB 3.48Å; I24-W28 PolarHBondContact O-N 3.4Å; I24-I31 HydrophobicContact CG1-CD1 4.32Å; I24-M45 HydrophobicContact CG2-SD 4.29Å; I24-W52 HydrophobicContact CG2-CE3 4.42Å; I24-W52 HydrophobicContact CG2-CZ3 4.33Å; I24-V54 HydrophobicContact CD1-CG2 4.03Å; I24-F78 HydrophobicContact CB-CD1 4.49Å; I24-F78 HydrophobicContact CB-CE1 3.89Å; I24-F78 HydrophobicContact CG1-CD1 4.44Å; I24-F78 HydrophobicContact CG1-CE1 4.19Å; I24-L79 HydrophobicContact CD1-CD2 3.81Å
25R92.6Very high93.6Very high178 Ų17864.7 Ų64.767%0.67233%0.331SS*.Hα-helixtrans-61.1-42.4176.9-170.7-179-175.7-1621111.6R21 T22 P23R21-R25 WeakPolarHBondContact O-CB 3.32Å; R21-R25 PolarHBondContact O-N 2.86Å; R21-R25 VanDerWaalsContact O-N 3.13Å; T22-R25 PolarHBondContact O-N 3.42Å; P23-R25 PolarHBondContact O-N 3.15Å
26N94.8Very high93.6Very high120 Ų12061.7 Ų61.764%0.64232%0.319SS*.Hα-helixtrans-69.4-41.1-179.2-66.6-2.4000112.3T22 P23 I24T22-N26 PolarHBondContact O-N 3.05Å; T22-N26 VanDerWaalsContact O-N 3.13Å; T22-N26 PolarHBondContact O-OD1 2.72Å; P23-N26 PolarHBondContact O-N 3.47Å; I24-N26 VanDerWaalsContact C-N 3.32Å; I24-N26 PolarHBondContact O-N 3.17Å
27S94.1Very high93.5Very high33 Ų3368 Ų6823%0.23135%0.346CS..Hα-helixtrans-90.20.9-179.5-53.80000113.6P23 I24 P29 S30 I31P23-S27 PolarHBondContact O-N 3.35Å; P23-S27 PolarHBondContact O-OG 2.87Å; I24-S27 PolarHBondContact O-N 3.34Å; S27-P29 VanDerWaalsContact C-CD 3.48Å; S27-S30 PolarHBondContact O-N 3.45Å; S27-I31 WeakPolarHBondContact O-CG1 3.49Å; S27-I31 PolarHBondContact O-N 2.88Å
28W93.7Very high93.4Very high48 Ų4870.4 Ų70.418%0.18235%0.352CS..Hα-helixtrans-56.5-45-173.5-169.8-117.7000113.6I24 S30 I31 V32 V43 M45 V54I24-W28 HydrophobicContact CD1-CE3 4.24Å; I24-W28 HydrophobicContact CD1-CZ3 4.14Å; I24-W28 HydrophobicContact CG1-CE3 3.89Å; I24-W28 HydrophobicContact CG1-CZ3 4.3Å; I24-W28 VanDerWaalsContact O-CA 3.32Å; I24-W28 WeakPolarHBondContact O-CA 3.33Å; I24-W28 VanDerWaalsContact O-CB 3.22Å; I24-W28 WeakPolarHBondContact O-CB 3.48Å; I24-W28 PolarHBondContact O-N 3.4Å; W28-S30 VanDerWaalsContact C-N 3.31Å; W28-S30 PolarHBondContact O-N 3.13Å; W28-I31 HydrophobicContact CE3-CB 4.47Å; W28-I31 HydrophobicContact CE3-CG2 4.28Å; W28-I31 HydrophobicContact CZ3-CG2 4.13Å; W28-I31 PolarHBondContact O-N 2.7Å; W28-V32 HydrophobicContact CD2-CG2 3.82Å; W28-V32 HydrophobicContact CE3-CG2 4.48Å; W28-V32 HydrophobicContact CG-CG2 4.11Å; W28-V32 HydrophobicContact CH2-CG2 4.37Å; W28-V32 HydrophobicContact CZ2-CG2 3.69Å; W28-V32 WeakPolarHBondContact O-CB 3.5Å; W28-V32 VanDerWaalsContact O-CG2 3.28Å; W28-V32 WeakPolarHBondContact O-CG2 3.49Å; W28-V32 PolarHBondContact O-N 3.2Å; W28-V43 HydrophobicContact CH2-CG1 3.56Å; W28-V43 HydrophobicContact CZ2-CG1 3.45Å; W28-V43 VanDerWaalsContact CZ2-CG1 3.45Å; W28-M45 HydrophobicContact CD2-CE 4.26Å; W28-M45 HydrophobicContact CD2-SD 4.49Å; W28-M45 HydrophobicContact CE3-SD 4.42Å; W28-M45 HydrophobicContact CG-CE 4.35Å; W28-M45 HydrophobicContact CH2-CB 3.82Å; W28-M45 HydrophobicContact CZ2-CB 3.52Å; W28-M45 HydrophobicContact CZ3-CB 4.49Å; W28-V54 HydrophobicContact CH2-CG1 3.87Å; W28-V54 HydrophobicContact CH2-CG2 4.16Å; W28-V54 HydrophobicContact CZ3-CG1 4.3Å; W28-V54 HydrophobicContact CZ3-CG2 4.12Å
29P94.5Very high93.3Very high87 Ų8762.4 Ų62.457%0.56532%0.318SS*.Hα-helixtrans-57.7-44.5179.9-24.235.4000112.3S27 V32 E33S27-P29 VanDerWaalsContact C-CD 3.48Å; P29-V32 PolarHBondContact O-N 3.02Å; P29-E33 WeakPolarHBondContact O-CB 3.32Å; P29-E33 PolarHBondContact O-N 3.35Å
30S95.3Very high93.3Very high49 Ų4960.5 Ų60.534%0.34330%0.303SS..Hα-helixtrans-70.5-31.5-180-49.90000113S27 W28 V34 Y84S27-S30 PolarHBondContact O-N 3.45Å; W28-S30 VanDerWaalsContact C-N 3.31Å; W28-S30 PolarHBondContact O-N 3.13Å; S30-V34 WeakPolarHBondContact O-CG2 3.38Å; S30-V34 PolarHBondContact O-N 3.46Å; S30-Y84 PolarHBondContact O-OH 3.11Å
31I94.9Very high93.4Very high0 Ų058.7 Ų58.70%030%0.297CS..Hα-helixtrans-69.5-47.4173.6-69.9169.1000110I24 S27 W28 E33 V34 L35 F74 V75 F78 Y84I24-I31 HydrophobicContact CG1-CD1 4.32Å; S27-I31 WeakPolarHBondContact O-CG1 3.49Å; S27-I31 PolarHBondContact O-N 2.88Å; W28-I31 HydrophobicContact CE3-CB 4.47Å; W28-I31 HydrophobicContact CE3-CG2 4.28Å; W28-I31 HydrophobicContact CZ3-CG2 4.13Å; W28-I31 PolarHBondContact O-N 2.7Å; I31-E33 VanDerWaalsContact C-N 3.3Å; I31-E33 PolarHBondContact O-N 3.26Å; I31-V34 PolarHBondContact O-N 2.95Å; I31-L35 HydrophobicContact CG2-CD1 3.77Å; I31-L35 HydrophobicContact CG2-CG 4.45Å; I31-L35 WeakPolarHBondContact O-CG 3.43Å; I31-L35 PolarHBondContact O-N 3.15Å; I31-F74 HydrophobicContact CB-CE1 4.24Å; I31-F74 HydrophobicContact CG1-CE1 4.19Å; I31-F74 HydrophobicContact CG1-CZ 4.12Å; I31-F74 HydrophobicContact CG2-CE1 3.86Å; I31-V75 HydrophobicContact CG2-CG2 4.17Å; I31-F78 HydrophobicContact CD1-CD1 3.97Å; I31-F78 HydrophobicContact CD1-CD2 4.38Å; I31-F78 HydrophobicContact CD1-CE1 4.11Å; I31-F78 HydrophobicContact CD1-CE2 4.47Å; I31-F78 HydrophobicContact CD1-CG 4.11Å; I31-F78 HydrophobicContact CD1-CZ 4.34Å; I31-Y84 HydrophobicContact CG1-CD2 4.16Å; I31-Y84 HydrophobicContact CG1-CE2 4.13Å
32V94.6Very high93.3Very high39 Ų3961.5 Ų61.524%0.23631%0.313CS..Hα-helixtrans-60.8-42.6178.6172.40000110.4W28 P29 V34 L35 T36 V43W28-V32 HydrophobicContact CD2-CG2 3.82Å; W28-V32 HydrophobicContact CE3-CG2 4.48Å; W28-V32 HydrophobicContact CG-CG2 4.11Å; W28-V32 HydrophobicContact CH2-CG2 4.37Å; W28-V32 HydrophobicContact CZ2-CG2 3.69Å; W28-V32 WeakPolarHBondContact O-CB 3.5Å; W28-V32 VanDerWaalsContact O-CG2 3.28Å; W28-V32 WeakPolarHBondContact O-CG2 3.49Å; W28-V32 PolarHBondContact O-N 3.2Å; P29-V32 PolarHBondContact O-N 3.02Å; V32-V34 PolarHBondContact O-N 3.26Å; V32-L35 PolarHBondContact O-N 3.25Å; V32-T36 HydrophobicContact CG1-CG2 3.87Å; V32-T36 WeakPolarHBondContact O-CB 3.22Å; V32-T36 WeakPolarHBondContact O-CG2 3.2Å; V32-T36 PolarHBondContact O-N 2.95Å; V32-T36 PolarHBondContact O-OG1 2.98Å; V32-V43 HydrophobicContact CG2-CG1 3.85Å
33E95Very high93.3Very high90 Ų9058.1 Ų58.142%0.42129%0.292SS..Hα-helixtrans-57.7-47.5178.4-176.4170.9-16200112.1P29 I31 K37P29-E33 WeakPolarHBondContact O-CB 3.32Å; P29-E33 PolarHBondContact O-N 3.35Å; I31-E33 VanDerWaalsContact C-N 3.3Å; I31-E33 PolarHBondContact O-N 3.26Å; E33-K37 HydrophobicContact CG-CD 3.67Å; E33-K37 HydrophobicContact CG-CG 4.16Å; E33-K37 WeakPolarHBondContact O-CB 3.34Å; E33-K37 WeakPolarHBondContact O-CG 3.19Å; E33-K37 PolarHBondContact O-N 3.32Å; E33-K37 IonicContact OE1-NZ 3.41Å; E33-K37 PolarHBondContact OE1-NZ 3.13Å
34V94.3Very high93.2Very high10 Ų1059.4 Ų59.46%0.06130%0.302CS..Iπ-helixtrans-62.6-47.8178168.90000110.9S30 I31 V32 Q38 L39 F74 Y84 L88 V91S30-V34 WeakPolarHBondContact O-CG2 3.38Å; S30-V34 PolarHBondContact O-N 3.46Å; I31-V34 PolarHBondContact O-N 2.95Å; V32-V34 PolarHBondContact O-N 3.26Å; V34-Q38 WeakPolarHBondContact O-CB 3.41Å; V34-Q38 PolarHBondContact O-N 3.36Å; V34-Q38 VanDerWaalsContact O-N 3.12Å; V34-L39 PolarHBondContact O-N 3.4Å; V34-F74 HydrophobicContact CB-CE1 4.27Å; V34-F74 HydrophobicContact CG1-CD1 4.49Å; V34-F74 HydrophobicContact CG1-CE1 4.09Å; V34-F74 HydrophobicContact CG1-CZ 4.46Å; V34-Y84 WeakPolarHBondContact CG2-OH 3.25Å; V34-L88 HydrophobicContact CB-CD1 4.37Å; V34-L88 HydrophobicContact CG1-CD1 3.72Å; V34-L88 HydrophobicContact CG2-CD1 3.72Å; V34-V91 HydrophobicContact CG1-CG1 4.29Å; V34-V91 HydrophobicContact CG1-CG2 4.28Å
35L93.6Very high93.1Very high0 Ų061.3 Ų61.30%031%0.311CS..Iπ-helixtrans-66.6-39.2-177.7-67.7173.7000112.9I31 V32 L39 K40 L41 V43 F74 V75I31-L35 HydrophobicContact CG2-CD1 3.77Å; I31-L35 HydrophobicContact CG2-CG 4.45Å; I31-L35 WeakPolarHBondContact O-CG 3.43Å; I31-L35 PolarHBondContact O-N 3.15Å; V32-L35 PolarHBondContact O-N 3.25Å; L35-L39 HydrophobicContact CD2-CD1 3.85Å; L35-L39 CarbonylContact O-C 3.58Å; L35-L39 WeakPolarHBondContact O-CB 3.36Å; L35-K40 PolarHBondContact O-N 3.15Å; L35-L41 HydrophobicContact CD2-CD1 4.37Å; L35-L41 PolarHBondContact O-N 3.27Å; L35-V43 HydrophobicContact CD1-CB 4.29Å; L35-V43 HydrophobicContact CD1-CG1 4.47Å; L35-V43 HydrophobicContact CD1-CG2 3.63Å; L35-F74 HydrophobicContact CD2-CD1 3.93Å; L35-F74 HydrophobicContact CG-CD1 4.2Å; L35-F74 HydrophobicContact CG-CE1 4.41Å; L35-V75 HydrophobicContact CD1-CG2 3.75Å
36T92.7Very high93Very high53 Ų5357.9 Ų57.933%0.32530%0.301SS..Iπ-helixtrans-85.2-44.8-176.7560000112.1V32 K40V32-T36 HydrophobicContact CG1-CG2 3.87Å; V32-T36 WeakPolarHBondContact O-CB 3.22Å; V32-T36 WeakPolarHBondContact O-CG2 3.2Å; V32-T36 PolarHBondContact O-N 2.95Å; V32-T36 PolarHBondContact O-OG1 2.98Å; T36-K40 VanDerWaalsContact O-CA 3.31Å; T36-K40 WeakPolarHBondContact O-CA 3.3Å; T36-K40 WeakPolarHBondContact O-CD 3.03Å; T36-K40 PolarHBondContact O-N 3.49Å
37K91.8Very high92.6Very high135 Ų13555.5 Ų55.559%0.58729%0.291SS*.Iπ-helixtrans-78.3-45.9-176.3-63.5-170.7-177.6171.30112.7E33E33-K37 HydrophobicContact CG-CD 3.67Å; E33-K37 HydrophobicContact CG-CG 4.16Å; E33-K37 WeakPolarHBondContact O-CB 3.34Å; E33-K37 WeakPolarHBondContact O-CG 3.19Å; E33-K37 PolarHBondContact O-N 3.32Å; E33-K37 IonicContact OE1-NZ 3.41Å; E33-K37 PolarHBondContact OE1-NZ 3.13Å
38Q90.5Very high91.8Very high103 Ų10359.5 Ų59.548%0.48131%0.31SS..Iπ-helixtrans-86.4-49.2-174.9-56.3-169.5-60.100111.9V34V34-Q38 WeakPolarHBondContact O-CB 3.41Å; V34-Q38 PolarHBondContact O-N 3.36Å; V34-Q38 VanDerWaalsContact O-N 3.12Å
39L90.2Very high90.8Very high5 Ų563.6 Ų63.63%0.02633%0.329CS..SBendtrans-91.3-11.8-174.4-66.8162000113.7V34 L35 L41 H67 K70 V91V34-L39 PolarHBondContact O-N 3.4Å; L35-L39 HydrophobicContact CD2-CD1 3.85Å; L35-L39 CarbonylContact O-C 3.58Å; L35-L39 WeakPolarHBondContact O-CB 3.36Å; L39-L41 VanDerWaalsContact C-N 3.29Å; L39-L41 HydrophobicContact CB-CD1 3.85Å; L39-L41 HydrophobicContact CB-CG 3.91Å; L39-L41 HydrophobicContact CD1-CD1 4.28Å; L39-L41 PolarHBondContact O-N 3.17Å; L39-H67 HydrophobicContact CB-CB 4.31Å; L39-H67 HydrophobicContact CD2-CB 3.7Å; L39-H67 PolarHBondContact O-ND1 2.96Å; L39-K70 HydrophobicContact CD2-CB 4.39Å; L39-V91 HydrophobicContact CD1-CG1 3.89Å; L39-V91 HydrophobicContact CD1-CG2 4.28Å; L39-V91 HydrophobicContact CD2-CG1 4.22Å; L39-V91 HydrophobicContact CG-CG1 4.11Å
40K91.9Very high90.1Very high88 Ų8869.1 Ų69.138%0.38334%0.344SS..  trans56.940-178.6-59.4-68.3-175.3164.80113L35 T36 S59 E61 T62L35-K40 PolarHBondContact O-N 3.15Å; T36-K40 VanDerWaalsContact O-CA 3.31Å; T36-K40 WeakPolarHBondContact O-CA 3.3Å; T36-K40 WeakPolarHBondContact O-CD 3.03Å; T36-K40 PolarHBondContact O-N 3.49Å; K40-S59 WeakPolarHBondContact O-CB 3.46Å; K40-S59 PolarHBondContact O-OG 2.9Å; K40-E61 HydrophobicContact CB-CB 4.2Å; K40-E61 IonicContact NZ-OE2 2.72Å; K40-E61 PolarHBondContact NZ-OE2 2.84Å; K40-T62 PolarHBondContact O-OG1 3.1Å
41L92.5Very high89.6Confident4 Ų469.2 Ų69.22%0.02135%0.345CS..EExtended strand (participates in β ladder)trans-99.7149.7179-61.7171.8000111.3L35 L39 I56 T62 H67 L68L35-L41 HydrophobicContact CD2-CD1 4.37Å; L35-L41 PolarHBondContact O-N 3.27Å; L39-L41 VanDerWaalsContact C-N 3.29Å; L39-L41 HydrophobicContact CB-CD1 3.85Å; L39-L41 HydrophobicContact CB-CG 3.91Å; L39-L41 HydrophobicContact CD1-CD1 4.28Å; L39-L41 PolarHBondContact O-N 3.17Å; L41-I56 HydrophobicContact CB-CG2 4.26Å; L41-I56 HydrophobicContact CD1-CG2 3.85Å; L41-T62 HydrophobicContact CD2-CG2 4.01Å; L41-H67 WeakPolarHBondContact CD1-O 3.35Å; L41-L68 HydrophobicContact CD2-CB 4.44Å; L41-L68 HydrophobicContact CD2-CD1 4.35Å
42M91.4Very high89.5Confident112 Ų11271.3 Ų71.355%0.55235%0.353SS*.EExtended strand (participates in β ladder)trans-87.1125.7167.1-60.7-173.789.400109K57M42-K57 HydrophobicContact CB-CB 4.34Å; M42-K57 PolarHBondContact N-O 2.99Å; M42-K57 PolarHBondContact O-N 3.31Å
43V93Very high89.4Confident29 Ų2972.9 Ų72.918%0.17636%0.356CS..EExtended strand (participates in β ladder)trans-123.4137.9178.4118.30000110.8W28 V32 L35 V54 F55 I56W28-V43 HydrophobicContact CH2-CG1 3.56Å; W28-V43 HydrophobicContact CZ2-CG1 3.45Å; W28-V43 VanDerWaalsContact CZ2-CG1 3.45Å; V32-V43 HydrophobicContact CG2-CG1 3.85Å; L35-V43 HydrophobicContact CD1-CB 4.29Å; L35-V43 HydrophobicContact CD1-CG1 4.47Å; L35-V43 HydrophobicContact CD1-CG2 3.63Å; V43-V54 HydrophobicContact CG2-CG1 4.27Å; V43-F55 WeakPolarHBondContact CA-O 3.47Å; V43-F55 WeakPolarHBondContact CG2-O 3.26Å; V43-I56 HydrophobicContact CG2-CB 4.29Å; V43-I56 HydrophobicContact CG2-CG1 3.71Å; V43-I56 HydrophobicContact CG2-CG2 4.35Å
44C91.9Very high89.3Confident64 Ų6468.6 Ų68.643%0.43234%0.336SS..EExtended strand (participates in β ladder)trans-138.3131.6175.1-178.40000109.5F55C44-F55 HydrophobicContact CB-CB 4.5Å; C44-F55 PolarHBondContact N-O 3.41Å; C44-F55 PolarHBondContact O-N 3.31Å
45M91.8Very high89.3Confident41 Ų4170.5 Ų70.520%0.20234%0.344CS..EExtended strand (participates in β ladder)trans-105.9120.4170.6-177.6175.163.200109I24 W28 T47 W52 K53 V54I24-M45 HydrophobicContact CG2-SD 4.29Å; W28-M45 HydrophobicContact CD2-CE 4.26Å; W28-M45 HydrophobicContact CD2-SD 4.49Å; W28-M45 HydrophobicContact CE3-SD 4.42Å; W28-M45 HydrophobicContact CG-CE 4.35Å; W28-M45 HydrophobicContact CH2-CB 3.82Å; W28-M45 HydrophobicContact CZ2-CB 3.52Å; W28-M45 HydrophobicContact CZ3-CB 4.49Å; M45-T47 HydrophobicContact CE-CG2 3.82Å; M45-T47 HydrophobicContact CG-CG2 4.02Å; M45-T47 HydrophobicContact SD-CG2 4.24Å; M45-W52 HydrophobicContact SD-CE3 4.26Å; M45-K53 WeakPolarHBondContact CA-O 3.45Å; M45-V54 HydrophobicContact CB-CG2 4.36Å; M45-V54 HydrophobicContact CG-CG2 4.12Å; M45-V54 HydrophobicContact SD-CG2 4.5Å
46K90.1Very high89.3Confident105 Ų10570.5 Ų70.546%0.45734%0.344SS..EExtended strand (participates in β ladder)trans-95.3120.2172-64.9-165.8-177.5-1740109.8W52 K53 F55K46-W52 WeakPolarHBondContact O-CA 3.48Å; K46-K53 PolarHBondContact N-O 3.13Å; K46-K53 PolarHBondContact O-N 3.43Å; K46-K53 VanDerWaalsContact O-N 3.09Å; K46-F55 HydrophobicContact CB-CE2 4.02Å; K46-F55 HydrophobicContact CD-CD2 4.31Å; K46-F55 HydrophobicContact CD-CE2 3.62Å; K46-F55 HydrophobicContact CD-CZ 4.28Å; K46-F55 HydrophobicContact CG-CD2 4.04Å; K46-F55 HydrophobicContact CG-CE2 3.65Å
47T88Confident89.2Confident70 Ų7070.8 Ų70.843%0.42934%0.34SS..  trans-111.7-1.6-178.658.10000113.6M45 W52M45-T47 HydrophobicContact CE-CG2 3.82Å; M45-T47 HydrophobicContact CG-CG2 4.02Å; M45-T47 HydrophobicContact SD-CG2 4.24Å; T47-W52 HydrophobicContact CG2-CD2 3.88Å; T47-W52 HydrophobicContact CG2-CE3 4.08Å; T47-W52 HydrophobicContact CG2-CG 4.36Å; T47-W52 HydrophobicContact CG2-CH2 4.33Å; T47-W52 HydrophobicContact CG2-CZ2 4.12Å; T47-W52 HydrophobicContact CG2-CZ3 4.3Å; T47-W52 PolarHBondContact O-NE1 3.34Å
48D76.1Confident89.1Confident117 Ų11766 Ų6663%0.62632%0.324SS*.SBendtrans-65.2-34.1-175.660.3-25.5000113.4
49K73.8Confident88.9Confident134 Ų13462.4 Ų62.458%0.58331%0.311SS*.SBendtrans-92.1161.1-177.1-64.4-176.5-175.7-171.70112.6S51K49-S51 PolarHBondContact O-N 3.32Å
50K79.4Confident88.5Confident204 Ų20468.6 Ų68.689%0.88735%0.354SS*.SBendtrans-51.5-24.8167.7-85.9-176.1178.4175.90112.8R21R21-K50 PolarHBondContact NH2-O 3.42Å
51S84.4Confident88Confident51 Ų5170.2 Ų70.236%0.35736%0.363SS..SBendtrans-112.9112.1172.549.60000110.7K49K49-S51 PolarHBondContact O-N 3.32Å
52W91.6Very high87.5Confident44 Ų4471.3 Ų71.317%0.16737%0.37CS..  trans-69.8136.6173-7214.1000109.9V16 R21 I24 M45 K46 T47V16-W52 HydrophobicContact CB-CB 3.85Å; V16-W52 HydrophobicContact CG1-CB 4.48Å; V16-W52 HydrophobicContact CG2-CB 4.18Å; V16-W52 PolarHBondContact N-O 3.18Å; R21-W52 HydrophobicContact CB-CD2 4.35Å; R21-W52 HydrophobicContact CB-CE3 3.82Å; R21-W52 HydrophobicContact CB-CH2 3.97Å; R21-W52 HydrophobicContact CB-CZ2 4.5Å; R21-W52 HydrophobicContact CB-CZ3 3.61Å; R21-W52 HydrophobicContact CG-CD2 3.85Å; R21-W52 HydrophobicContact CG-CE3 3.66Å; R21-W52 HydrophobicContact CG-CG 4.39Å; R21-W52 HydrophobicContact CG-CH2 4.49Å; R21-W52 HydrophobicContact CG-CZ3 4Å; R21-W52 WeakPolarHBondContact O-CZ3 3.48Å; I24-W52 HydrophobicContact CG2-CE3 4.42Å; I24-W52 HydrophobicContact CG2-CZ3 4.33Å; M45-W52 HydrophobicContact SD-CE3 4.26Å; K46-W52 WeakPolarHBondContact O-CA 3.48Å; T47-W52 HydrophobicContact CG2-CD2 3.88Å; T47-W52 HydrophobicContact CG2-CE3 4.08Å; T47-W52 HydrophobicContact CG2-CG 4.36Å; T47-W52 HydrophobicContact CG2-CH2 4.33Å; T47-W52 HydrophobicContact CG2-CZ2 4.12Å; T47-W52 HydrophobicContact CG2-CZ3 4.3Å; T47-W52 PolarHBondContact O-NE1 3.34Å
53K92.7Very high86.9Confident72 Ų7277 Ų7731%0.31339%0.385SS..EExtended strand (participates in β ladder)trans-132.1137.7-179.4-64.4-177.2-178.1-1730110.5T13 L14 M45 K46 F55T13-K53 HydrophobicContact CG2-CB 4.18Å; T13-K53 HydrophobicContact CG2-CD 4.13Å; T13-K53 HydrophobicContact CG2-CG 4.43Å; L14-K53 CarbonylContact O-C 3.56Å; L14-K53 VanDerWaalsContact O-CA 3.3Å; L14-K53 WeakPolarHBondContact O-CA 3.49Å; M45-K53 WeakPolarHBondContact CA-O 3.45Å; K46-K53 PolarHBondContact N-O 3.13Å; K46-K53 PolarHBondContact O-N 3.43Å; K46-K53 VanDerWaalsContact O-N 3.09Å; K53-F55 HydrophobicContact CB-CD2 4.43Å; K53-F55 HydrophobicContact CB-CE2 3.67Å; K53-F55 HydrophobicContact CB-CZ 3.92Å; K53-F55 HydrophobicContact CD-CZ 4.07Å
54V94.1Very high86.5Confident0 Ų080.1 Ų80.10%040%0.401CS..EExtended strand (participates in β ladder)trans-104.6125.1170.8177.40000108T13 L14 V16 I24 W28 V43 M45 I56 V75T13-V54 CarbonylContact C-O 3.57Å; T13-V54 WeakPolarHBondContact CA-O 3.4Å; L14-V54 HydrophobicContact CB-CB 4.34Å; L14-V54 PolarHBondContact N-O 2.86Å; L14-V54 PolarHBondContact O-N 2.84Å; V16-V54 HydrophobicContact CG2-CG2 3.82Å; I24-V54 HydrophobicContact CD1-CG2 4.03Å; W28-V54 HydrophobicContact CH2-CG1 3.87Å; W28-V54 HydrophobicContact CH2-CG2 4.16Å; W28-V54 HydrophobicContact CZ3-CG1 4.3Å; W28-V54 HydrophobicContact CZ3-CG2 4.12Å; V43-V54 HydrophobicContact CG2-CG1 4.27Å; M45-V54 HydrophobicContact CB-CG2 4.36Å; M45-V54 HydrophobicContact CG-CG2 4.12Å; M45-V54 HydrophobicContact SD-CG2 4.5Å; V54-I56 HydrophobicContact CG1-CG1 4.18Å; V54-V75 HydrophobicContact CG1-CG1 4.28Å
55F93.5Very high86.1Confident49 Ų4980.9 Ų80.922%0.21541%0.412CS..EExtended strand (participates in β ladder)trans-106130.1176-61.4-89.5000108.4I11 R12 T13 V43 C44 K46 K53I11-F55 HydrophobicContact CG2-CB 4.43Å; I11-F55 HydrophobicContact CG2-CD1 3.97Å; R12-F55 WeakPolarHBondContact O-CA 3.39Å; T13-F55 HydrophobicContact CG2-CD1 4.05Å; T13-F55 HydrophobicContact CG2-CE1 3.73Å; T13-F55 HydrophobicContact CG2-CZ 4.17Å; T13-F55 WeakPolarHBondContact OG1-CD1 3.44Å; T13-F55 WeakPolarHBondContact OG1-CE1 3.45Å; V43-F55 WeakPolarHBondContact CA-O 3.47Å; V43-F55 WeakPolarHBondContact CG2-O 3.26Å; C44-F55 HydrophobicContact CB-CB 4.5Å; C44-F55 PolarHBondContact N-O 3.41Å; C44-F55 PolarHBondContact O-N 3.31Å; K46-F55 HydrophobicContact CB-CE2 4.02Å; K46-F55 HydrophobicContact CD-CD2 4.31Å; K46-F55 HydrophobicContact CD-CE2 3.62Å; K46-F55 HydrophobicContact CD-CZ 4.28Å; K46-F55 HydrophobicContact CG-CD2 4.04Å; K46-F55 HydrophobicContact CG-CE2 3.65Å; K53-F55 HydrophobicContact CB-CD2 4.43Å; K53-F55 HydrophobicContact CB-CE2 3.67Å; K53-F55 HydrophobicContact CB-CZ 3.92Å; K53-F55 HydrophobicContact CD-CZ 4.07Å
56I93.6Very high86Confident0 Ų085.5 Ų85.50%043%0.433CS..EExtended strand (participates in β ladder)trans-122.1127176.9-48.4179000106.6R12 L14 L41 V43 V54 L68 F72 V75R12-I56 PolarHBondContact N-O 3Å; R12-I56 PolarHBondContact O-N 3.16Å; L14-I56 HydrophobicContact CD1-CD1 4.23Å; L41-I56 HydrophobicContact CB-CG2 4.26Å; L41-I56 HydrophobicContact CD1-CG2 3.85Å; V43-I56 HydrophobicContact CG2-CB 4.29Å; V43-I56 HydrophobicContact CG2-CG1 3.71Å; V43-I56 HydrophobicContact CG2-CG2 4.35Å; V54-I56 HydrophobicContact CG1-CG1 4.18Å; I56-L68 HydrophobicContact CB-CD1 4.29Å; I56-L68 HydrophobicContact CG2-CD1 3.73Å; I56-F72 HydrophobicContact CD1-CB 4.39Å; I56-V75 HydrophobicContact CD1-CB 4.4Å; I56-V75 HydrophobicContact CD1-CG2 4.06Å
57K91.3Very high86Confident59 Ų5982.3 Ų82.326%0.25742%0.419SS..EExtended strand (participates in β ladder)trans-132.4141.4-178.2-177.4-177.5167.6169.70109D9 I11 M42D9-K57 WeakPolarHBondContact OD1-CE 3.44Å; D9-K57 IonicContact OD1-NZ 3.79Å; D9-K57 PolarHBondContact OD1-NZ 2.86Å; D9-K57 IonicContact OD2-NZ 3.94Å; D9-K57 PolarHBondContact OD2-NZ 2.85Å; I11-K57 HydrophobicContact CG1-CB 4.33Å; I11-K57 HydrophobicContact CG1-CD 4.2Å; I11-K57 HydrophobicContact CG1-CG 4.12Å; M42-K57 HydrophobicContact CB-CB 4.34Å; M42-K57 PolarHBondContact N-O 2.99Å; M42-K57 PolarHBondContact O-N 3.31Å
58S90.2Very high86.2Confident34 Ų3479.3 Ų79.324%0.23840%0.401CS..EExtended strand (participates in β ladder)trans-65.6138.2169.344.60000110.5
59S84.6Confident86.9Confident29 Ų2977.4 Ų77.420%0.20339%0.388CS..  trans-93.5169.9170.376.80000109.9K40 E61 T62K40-S59 WeakPolarHBondContact O-CB 3.46Å; K40-S59 PolarHBondContact O-OG 2.9Å; S59-E61 PolarHBondContact O-N 3.18Å; S59-E61 PolarHBondContact OG-N 3Å; S59-E61 VanDerWaalsContact OG-N 3.11Å; S59-T62 PolarHBondContact N-OG1 3.41Å; S59-T62 WeakPolarHBondContact O-CB 3.45Å; S59-T62 PolarHBondContact O-N 3.14Å; S59-T62 PolarHBondContact O-OG1 3.34Å; S59-T62 PolarHBondContact OG-N 2.76Å; S59-T62 PolarHBondContact OG-OG1 3.32Å
60S82.9Confident87.8Confident134 Ų13473 Ų7394%0.93737%0.369SS*.THydrogen-bonded Turntrans-62.8-19169.247.30000113.3
61E82Confident88.5Confident122 Ų12263.3 Ų63.357%0.5733%0.327SS*.THydrogen-bonded Turntrans-87.5-9.5177.2-60.5-174.9-171.700113.2K40 S59 R63K40-E61 HydrophobicContact CB-CB 4.2Å; K40-E61 IonicContact NZ-OE2 2.72Å; K40-E61 PolarHBondContact NZ-OE2 2.84Å; S59-E61 PolarHBondContact O-N 3.18Å; S59-E61 PolarHBondContact OG-N 3Å; S59-E61 VanDerWaalsContact OG-N 3.11Å; E61-R63 PolarHBondContact O-N 3.27Å; E61-R63 VanDerWaalsContact O-N 3.11Å
62T81.5Confident88.9Confident27 Ų2762.8 Ų62.817%0.16632%0.318CS..  trans-71.6107.5-179.3-48.90000109.9K40 L41 S59 H67K40-T62 PolarHBondContact O-OG1 3.1Å; L41-T62 HydrophobicContact CD2-CG2 4.01Å; S59-T62 PolarHBondContact N-OG1 3.41Å; S59-T62 WeakPolarHBondContact O-CB 3.45Å; S59-T62 PolarHBondContact O-N 3.14Å; S59-T62 PolarHBondContact O-OG1 3.34Å; S59-T62 PolarHBondContact OG-N 2.76Å; S59-T62 PolarHBondContact OG-OG1 3.32Å; T62-H67 HydrophobicContact CG2-CB 3.91Å
63R79.4Confident89.1Confident233 Ų23363 Ų6388%0.87932%0.323SS*.  trans-69.4-46-179.8-65.1-177.8-179.7175.3-1.1112.8E61E61-R63 PolarHBondContact O-N 3.27Å; E61-R63 VanDerWaalsContact O-N 3.11Å
64D84.2Confident89.2Confident93 Ų9359.6 Ų59.650%0.49731%0.308SS..  trans-107.7128.2-172.1-65.9-41.8000112.3Q66 H67D64-Q66 PolarHBondContact O-N 2.74Å; D64-H67 WeakPolarHBondContact O-CB 3.23Å; D64-H67 PolarHBondContact O-N 3.17Å; D64-H67 IonicContact OD2-CE1 3.29Å; D64-H67 IonicContact OD2-NE2 2.74Å
65A83.8Confident89.3Confident80 Ų8059.6 Ų59.666%0.66131%0.308SS*.THydrogen-bonded Turntrans-60.3-27.8176.400000112.7H67 L68A65-H67 PolarHBondContact O-N 3.02Å; A65-L68 PolarHBondContact O-N 3.3Å
66Q88.1Confident89.3Confident139 Ų13959 Ų5965%0.6531%0.307SS*.Hα-helixtrans-69.2-20.2178.1-67-173.1-14.700113.2D64 L68 Q69 K70D64-Q66 PolarHBondContact O-N 2.74Å; Q66-L68 VanDerWaalsContact C-N 3.26Å; Q66-L68 PolarHBondContact O-N 3.48Å; Q66-Q69 PolarHBondContact O-N 3.4Å; Q66-Q69 VanDerWaalsContact O-N 3.16Å; Q66-K70 PolarHBondContact O-N 3.37Å
67H90.5Very high89.4Confident37 Ų3759 Ų5917%0.17131%0.307CS..Hα-helixtrans-61.6-36.8178.1-74.4-178000112L39 L41 T62 D64 A65 Q69 K70 G71L39-H67 HydrophobicContact CB-CB 4.31Å; L39-H67 HydrophobicContact CD2-CB 3.7Å; L39-H67 PolarHBondContact O-ND1 2.96Å; L41-H67 WeakPolarHBondContact CD1-O 3.35Å; T62-H67 HydrophobicContact CG2-CB 3.91Å; D64-H67 WeakPolarHBondContact O-CB 3.23Å; D64-H67 PolarHBondContact O-N 3.17Å; D64-H67 IonicContact OD2-CE1 3.29Å; D64-H67 IonicContact OD2-NE2 2.74Å; A65-H67 PolarHBondContact O-N 3.02Å; H67-Q69 VanDerWaalsContact C-N 3.32Å; H67-Q69 PolarHBondContact O-N 3.43Å; H67-K70 PolarHBondContact O-N 2.74Å; H67-G71 PolarHBondContact O-N 2.9Å
68L91.8Very high89.7Confident8 Ų856.5 Ų56.54%0.04230%0.296CS..Hα-helixtrans-60-44.7176.1-178.461.4000111.2E10 R12 L41 I56 A65 Q66 G71 F72E10-L68 HydrophobicContact CB-CD2 3.88Å; E10-L68 HydrophobicContact CG-CD2 3.87Å; R12-L68 HydrophobicContact CG-CD1 4.18Å; R12-L68 HydrophobicContact CG-CD2 4.07Å; R12-L68 HydrophobicContact CG-CG 4.01Å; L41-L68 HydrophobicContact CD2-CB 4.44Å; L41-L68 HydrophobicContact CD2-CD1 4.35Å; I56-L68 HydrophobicContact CB-CD1 4.29Å; I56-L68 HydrophobicContact CG2-CD1 3.73Å; A65-L68 PolarHBondContact O-N 3.3Å; Q66-L68 VanDerWaalsContact C-N 3.26Å; Q66-L68 PolarHBondContact O-N 3.48Å; L68-G71 PolarHBondContact O-N 3.18Å; L68-F72 WeakPolarHBondContact O-CB 3.34Å; L68-F72 PolarHBondContact O-N 3.46Å
69Q92.1Very high89.9Confident77 Ų7755.4 Ų55.436%0.3629%0.288SS..Hα-helixtrans-66.5-46.3177.9-174.357.94400111.5Q66 H67 G71 F72 D73Q66-Q69 PolarHBondContact O-N 3.4Å; Q66-Q69 VanDerWaalsContact O-N 3.16Å; H67-Q69 VanDerWaalsContact C-N 3.32Å; H67-Q69 PolarHBondContact O-N 3.43Å; Q69-G71 VanDerWaalsContact C-N 3.31Å; Q69-G71 PolarHBondContact O-N 3.32Å; Q69-F72 WeakPolarHBondContact O-CB 3.32Å; Q69-F72 PolarHBondContact O-N 2.85Å; Q69-F72 VanDerWaalsContact O-N 3.16Å; Q69-D73 VanDerWaalsContact NE2-CG 3.29Å; Q69-D73 PolarHBondContact NE2-OD1 3.1Å; Q69-D73 VanDerWaalsContact NE2-OD1 3.15Å; Q69-D73 PolarHBondContact NE2-OD2 3.32Å; Q69-D73 PolarHBondContact O-N 2.73Å
70K92.3Very high90.3Very high41 Ų4156.3 Ų56.318%0.17829%0.288CS..Hα-helixtrans-59-42175.5-72.1-177.6177.3-179.50112.2L39 Q66 H67 D73 F74 D94L39-K70 HydrophobicContact CD2-CB 4.39Å; Q66-K70 PolarHBondContact O-N 3.37Å; H67-K70 PolarHBondContact O-N 2.74Å; K70-D73 PolarHBondContact O-N 2.95Å; K70-F74 WeakPolarHBondContact O-CB 3.5Å; K70-F74 PolarHBondContact O-N 3.35Å; K70-D94 WeakPolarHBondContact CE-OD1 3.37Å; K70-D94 IonicContact NZ-OD1 3.92Å; K70-D94 PolarHBondContact NZ-OD1 2.86Å; K70-D94 IonicContact NZ-OD2 3.76Å
71G93.3Very high90.9Very high0 Ų051.1 Ų51.10%026%0.255CS..Hα-helixtrans-63.7-41.317600000112.3H67 L68 Q69 V75H67-G71 PolarHBondContact O-N 2.9Å; L68-G71 PolarHBondContact O-N 3.18Å; Q69-G71 VanDerWaalsContact C-N 3.31Å; Q69-G71 PolarHBondContact O-N 3.32Å; G71-V75 WeakPolarHBondContact O-CG2 3.32Å; G71-V75 PolarHBondContact O-N 2.89Å
72F94.5Very high91.6Very high40 Ų4045.4 Ų45.418%0.17523%0.229CC..Hα-helixtrans-61.8-48.5172.7178.5-91.3000111.7R12 L14 I56 L68 Q69 F74 V75 N76R12-F72 HydrophobicContact CB-CD2 3.81Å; R12-F72 HydrophobicContact CB-CE2 4.43Å; R12-F72 HydrophobicContact CG-CD2 4.48Å; L14-F72 HydrophobicContact CD1-CD2 3.83Å; L14-F72 HydrophobicContact CD1-CE2 4.08Å; L14-F72 HydrophobicContact CD1-CG 4.41Å; L14-F72 HydrophobicContact CD2-CD2 3.83Å; L14-F72 HydrophobicContact CD2-CE1 4.19Å; L14-F72 HydrophobicContact CD2-CE2 3.2Å; L14-F72 HydrophobicContact CD2-CZ 3.4Å; L14-F72 VanDerWaalsContact CD2-CZ 3.4Å; L14-F72 HydrophobicContact CG-CD2 3.63Å; L14-F72 HydrophobicContact CG-CE2 3.39Å; L14-F72 HydrophobicContact CG-CZ 4.14Å; I56-F72 HydrophobicContact CD1-CB 4.39Å; L68-F72 WeakPolarHBondContact O-CB 3.34Å; L68-F72 PolarHBondContact O-N 3.46Å; Q69-F72 WeakPolarHBondContact O-CB 3.32Å; Q69-F72 PolarHBondContact O-N 2.85Å; Q69-F72 VanDerWaalsContact O-N 3.16Å; F72-F74 VanDerWaalsContact C-N 3.33Å; F72-F74 PolarHBondContact O-N 3.11Å; F72-V75 PolarHBondContact O-N 2.97Å; F72-N76 HydrophobicContact CE1-CB 4.48Å; F72-N76 WeakPolarHBondContact O-CB 3.28Å; F72-N76 PolarHBondContact O-N 3.49Å
73D94.4Very high92.2Very high49 Ų4951.2 Ų51.226%0.26225%0.252SS..Hα-helixtrans-66-35.3-178.7-70.5-33.7000112.4Q69 K70 N76 A77 V90Q69-D73 VanDerWaalsContact NE2-CG 3.29Å; Q69-D73 PolarHBondContact NE2-OD1 3.1Å; Q69-D73 VanDerWaalsContact NE2-OD1 3.15Å; Q69-D73 PolarHBondContact NE2-OD2 3.32Å; Q69-D73 PolarHBondContact O-N 2.73Å; K70-D73 PolarHBondContact O-N 2.95Å; D73-N76 PolarHBondContact O-N 3.02Å; D73-A77 VanDerWaalsContact O-CB 3.24Å; D73-A77 WeakPolarHBondContact O-CB 3.29Å; D73-A77 PolarHBondContact O-N 3.15Å; D73-V90 HydrophobicContact CB-CG1 3.92Å
74F95.4Very high92.9Very high0 Ų043.1 Ų43.10%022%0.221CC..Hα-helixtrans-59.6-53.6173171.5-127.3000112.4I31 V34 L35 K70 F72 N76 A77 F78 Y84 A87 L88 V91I31-F74 HydrophobicContact CB-CE1 4.24Å; I31-F74 HydrophobicContact CG1-CE1 4.19Å; I31-F74 HydrophobicContact CG1-CZ 4.12Å; I31-F74 HydrophobicContact CG2-CE1 3.86Å; V34-F74 HydrophobicContact CB-CE1 4.27Å; V34-F74 HydrophobicContact CG1-CD1 4.49Å; V34-F74 HydrophobicContact CG1-CE1 4.09Å; V34-F74 HydrophobicContact CG1-CZ 4.46Å; L35-F74 HydrophobicContact CD2-CD1 3.93Å; L35-F74 HydrophobicContact CG-CD1 4.2Å; L35-F74 HydrophobicContact CG-CE1 4.41Å; K70-F74 WeakPolarHBondContact O-CB 3.5Å; K70-F74 PolarHBondContact O-N 3.35Å; F72-F74 VanDerWaalsContact C-N 3.33Å; F72-F74 PolarHBondContact O-N 3.11Å; F74-N76 VanDerWaalsContact C-N 3.33Å; F74-N76 PolarHBondContact O-N 2.97Å; F74-A77 PolarHBondContact O-N 3.41Å; F74-F78 PolarHBondContact O-N 3.28Å; F74-Y84 HydrophobicContact CZ-CD2 4.18Å; F74-Y84 AromaticContact CZ-CE2 3.84Å; F74-Y84 HydrophobicContact CZ-CE2 3.84Å; F74-A87 VanDerWaalsContact CD2-C 3.47Å; F74-A87 HydrophobicContact CD2-CB 3.76Å; F74-A87 VanDerWaalsContact CD2-O 3.29Å; F74-A87 WeakPolarHBondContact CD2-O 3.38Å; F74-A87 HydrophobicContact CE2-CB 3.72Å; F74-L88 HydrophobicContact CE2-CB 4.34Å; F74-V91 HydrophobicContact CB-CG2 3.62Å; F74-V91 HydrophobicContact CD1-CG2 4.25Å; F74-V91 HydrophobicContact CD2-CG2 4.05Å; F74-V91 HydrophobicContact CG-CG2 3.72Å
75V95.3Very high93.4Very high0 Ų045.8 Ų45.80%023%0.231CC..Hα-helixtrans-66.4-39.9179.6179.90000110L14 I31 L35 V54 I56 G71 F72 A77 F78 L79L14-V75 HydrophobicContact CD1-CB 3.53Å; L14-V75 HydrophobicContact CD1-CG1 3.51Å; I31-V75 HydrophobicContact CG2-CG2 4.17Å; L35-V75 HydrophobicContact CD1-CG2 3.75Å; V54-V75 HydrophobicContact CG1-CG1 4.28Å; I56-V75 HydrophobicContact CD1-CB 4.4Å; I56-V75 HydrophobicContact CD1-CG2 4.06Å; G71-V75 WeakPolarHBondContact O-CG2 3.32Å; G71-V75 PolarHBondContact O-N 2.89Å; F72-V75 PolarHBondContact O-N 2.97Å; V75-A77 PolarHBondContact O-N 3.3Å; V75-F78 PolarHBondContact O-N 2.9Å; V75-L79 HydrophobicContact CG1-CD1 4.05Å; V75-L79 HydrophobicContact CG1-CG 4.28Å; V75-L79 WeakPolarHBondContact O-CB 3.32Å; V75-L79 VanDerWaalsContact O-CG 3.26Å; V75-L79 WeakPolarHBondContact O-CG 3.49Å; V75-L79 PolarHBondContact O-N 2.96Å
76N95.2Very high93.8Very high38 Ų3843.3 Ų43.320%0.20321%0.207CC..Hα-helixtrans-61.6-43176.5-169.626.5000111.9L14 F72 D73 F74 L79 K80L14-N76 HydrophobicContact CD1-CB 4.4Å; L14-N76 HydrophobicContact CD2-CB 4.03Å; F72-N76 HydrophobicContact CE1-CB 4.48Å; F72-N76 WeakPolarHBondContact O-CB 3.28Å; F72-N76 PolarHBondContact O-N 3.49Å; D73-N76 PolarHBondContact O-N 3.02Å; F74-N76 VanDerWaalsContact C-N 3.33Å; F74-N76 PolarHBondContact O-N 2.97Å; N76-L79 PolarHBondContact O-N 3.18Å; N76-K80 WeakPolarHBondContact O-CG 3.43Å; N76-K80 PolarHBondContact O-N 2.97Å
77A95.9Very high94.1Very high0 Ų036.7 Ų36.70%018%0.176CC..Hα-helixtrans-60.2-46.6174.800000111.2D73 F74 V75 L79 K80 G81 F82 A87 V90 V98 L151D73-A77 VanDerWaalsContact O-CB 3.24Å; D73-A77 WeakPolarHBondContact O-CB 3.29Å; D73-A77 PolarHBondContact O-N 3.15Å; F74-A77 PolarHBondContact O-N 3.41Å; V75-A77 PolarHBondContact O-N 3.3Å; A77-L79 VanDerWaalsContact C-N 3.31Å; A77-L79 PolarHBondContact O-N 3.46Å; A77-K80 PolarHBondContact O-N 3.23Å; A77-G81 PolarHBondContact O-N 3.19Å; A77-F82 HydrophobicContact CB-CD2 4.19Å; A77-F82 WeakPolarHBondContact O-CD2 3.48Å; A77-F82 PolarHBondContact O-N 3.5Å; A77-A87 HydrophobicContact CB-CB 4.13Å; A77-V90 HydrophobicContact CB-CG2 4.46Å; A77-V98 HydrophobicContact CB-CG2 3.91Å; A77-L151 HydrophobicContact CB-CD1 4.36Å
78F95.9Very high94.3Very high6 Ų635.7 Ų35.73%0.02617%0.171CC..Hα-helixtrans-61.5-39.6175.8-175.1-91.8000112R20 P23 I24 I31 F74 V75 K80 G81 A87R20-F78 PolarHBondContact NE-O 3.49Å; R20-F78 PolarHBondContact NH2-O 3.46Å; P23-F78 HydrophobicContact CB-CE1 4.34Å; P23-F78 HydrophobicContact CB-CZ 4.15Å; I24-F78 HydrophobicContact CB-CD1 4.49Å; I24-F78 HydrophobicContact CB-CE1 3.89Å; I24-F78 HydrophobicContact CG1-CD1 4.44Å; I24-F78 HydrophobicContact CG1-CE1 4.19Å; I31-F78 HydrophobicContact CD1-CD1 3.97Å; I31-F78 HydrophobicContact CD1-CD2 4.38Å; I31-F78 HydrophobicContact CD1-CE1 4.11Å; I31-F78 HydrophobicContact CD1-CE2 4.47Å; I31-F78 HydrophobicContact CD1-CG 4.11Å; I31-F78 HydrophobicContact CD1-CZ 4.34Å; F74-F78 PolarHBondContact O-N 3.28Å; V75-F78 PolarHBondContact O-N 2.9Å; F78-K80 VanDerWaalsContact C-N 3.35Å; F78-G81 PolarHBondContact O-N 3.26Å; F78-A87 HydrophobicContact CB-CB 4.36Å
79L94.9Very high94.4Very high11 Ų1136.5 Ų36.56%0.05818%0.18CC..Hα-helixtrans-68.4-31.1176.6-70.3177.7000112.9L14 V16 R20 I24 V75 N76 A77 G81L14-L79 HydrophobicContact CB-CD1 4.02Å; L14-L79 HydrophobicContact CD1-CD1 4.48Å; V16-L79 HydrophobicContact CB-CD2 4.23Å; V16-L79 HydrophobicContact CG1-CD2 3.84Å; V16-L79 HydrophobicContact CG2-CD1 4.39Å; V16-L79 HydrophobicContact CG2-CD2 4.09Å; R20-L79 HydrophobicContact CB-CD2 4.3Å; R20-L79 WeakPolarHBondContact CG-O 3.29Å; I24-L79 HydrophobicContact CD1-CD2 3.81Å; V75-L79 HydrophobicContact CG1-CD1 4.05Å; V75-L79 HydrophobicContact CG1-CG 4.28Å; V75-L79 WeakPolarHBondContact O-CB 3.32Å; V75-L79 VanDerWaalsContact O-CG 3.26Å; V75-L79 WeakPolarHBondContact O-CG 3.49Å; V75-L79 PolarHBondContact O-N 2.96Å; N76-L79 PolarHBondContact O-N 3.18Å; A77-L79 VanDerWaalsContact C-N 3.31Å; A77-L79 PolarHBondContact O-N 3.46Å; L79-G81 PolarHBondContact O-N 2.98Å
80K94Very high94.5Very high47 Ų4733.3 Ų33.320%0.20417%0.165CC..Hα-helixtrans-69.8-10172.8-74.3176.6-179.5-173.30113.9N76 A77 F78 F82 V98 S100 H149N76-K80 WeakPolarHBondContact O-CG 3.43Å; N76-K80 PolarHBondContact O-N 2.97Å; A77-K80 PolarHBondContact O-N 3.23Å; F78-K80 VanDerWaalsContact C-N 3.35Å; K80-F82 HydrophobicContact CB-CD2 4.35Å; K80-F82 HydrophobicContact CB-CE2 4.45Å; K80-V98 HydrophobicContact CD-CG1 3.72Å; K80-S100 WeakPolarHBondContact CE-OG 3.46Å; K80-S100 PolarHBondContact NZ-OG 2.85Å; K80-H149 PolarHBondContact O-CD2 3.15Å
81G94.7Very high94.5Very high25 Ų2532.1 Ų32.126%0.25816%0.161SC..THydrogen-bonded Turntrans108.53.7174.100000115.1A77 F78 L79A77-G81 PolarHBondContact O-N 3.19Å; F78-G81 PolarHBondContact O-N 3.26Å; L79-G81 PolarHBondContact O-N 2.98Å
82F95.7Very high94.4Very high3 Ų340.5 Ų40.51%0.01319%0.193CC..  trans-63.3152.5171.7-69.8-76.3000111.1A77 K80 V98 R140 V142 H149 L151A77-F82 HydrophobicContact CB-CD2 4.19Å; A77-F82 WeakPolarHBondContact O-CD2 3.48Å; A77-F82 PolarHBondContact O-N 3.5Å; K80-F82 HydrophobicContact CB-CD2 4.35Å; K80-F82 HydrophobicContact CB-CE2 4.45Å; F82-V98 HydrophobicContact CE2-CG1 3.83Å; F82-R140 HydrophobicContact CD1-CB 4.01Å; F82-R140 HydrophobicContact CE1-CB 3.81Å; F82-R140 WeakPolarHBondContact CE1-O 3.41Å; F82-V142 HydrophobicContact CD1-CG2 3.55Å; F82-V142 HydrophobicContact CD2-CG2 4.38Å; F82-V142 HydrophobicContact CE1-CB 4.34Å; F82-V142 HydrophobicContact CE1-CG2 3.62Å; F82-V142 HydrophobicContact CE2-CG2 4.46Å; F82-V142 HydrophobicContact CG-CG2 3.94Å; F82-V142 HydrophobicContact CZ-CB 4.4Å; F82-V142 HydrophobicContact CZ-CG2 4.09Å; F82-H149 HydrophobicContact CE2-CB 3.72Å; F82-H149 HydrophobicContact CZ-CB 3.76Å; F82-L151 HydrophobicContact CD1-CB 4.13Å; F82-L151 HydrophobicContact CD1-CD1 4.22Å; F82-L151 HydrophobicContact CD2-CD1 4.24Å; F82-L151 HydrophobicContact CE1-CB 3.56Å; F82-L151 HydrophobicContact CE1-CD1 4.45Å; F82-L151 HydrophobicContact CE2-CB 4.08Å; F82-L151 HydrophobicContact CE2-CD1 4.47Å; F82-L151 HydrophobicContact CG-CD1 4.13Å; F82-L151 HydrophobicContact CZ-CB 3.53Å
83K94.6Very high94.2Very high148 Ų14843.2 Ų43.264%0.64321%0.208SC*.  trans-66.2155.8172.2-64-179.2177.8-178.40109.7E85 D86 A87K83-E85 VanDerWaalsContact C-N 3.31Å; K83-E85 PolarHBondContact O-N 3.17Å; K83-D86 HydrophobicContact CB-CB 4.49Å; K83-D86 PolarHBondContact O-N 3.28Å; K83-A87 WeakPolarHBondContact O-CB 3.44Å; K83-A87 PolarHBondContact O-N 2.95Å
84Y94.6Very high93.8Very high63 Ų6346.6 Ų46.625%0.24723%0.226CC..Hα-helixtrans-55.6-46177.7171.1-98000112S30 I31 V34 F74 D86 A87 L88S30-Y84 PolarHBondContact O-OH 3.11Å; I31-Y84 HydrophobicContact CG1-CD2 4.16Å; I31-Y84 HydrophobicContact CG1-CE2 4.13Å; V34-Y84 WeakPolarHBondContact CG2-OH 3.25Å; F74-Y84 HydrophobicContact CZ-CD2 4.18Å; F74-Y84 AromaticContact CZ-CE2 3.84Å; F74-Y84 HydrophobicContact CZ-CE2 3.84Å; Y84-D86 PolarHBondContact O-N 3.28Å; Y84-A87 PolarHBondContact O-N 3.36Å; Y84-L88 HydrophobicContact CE1-CD2 4.28Å; Y84-L88 WeakPolarHBondContact O-CB 3.48Å; Y84-L88 PolarHBondContact O-N 2.79Å
85E94Very high93.6Very high150 Ų15047.9 Ų47.970%0.70124%0.24SC*.Hα-helixtrans-60.9-44179.7-63.6174.6-179.700112.4K83 L88 A89K83-E85 VanDerWaalsContact C-N 3.31Å; K83-E85 PolarHBondContact O-N 3.17Å; E85-L88 PolarHBondContact O-N 3.29Å; E85-A89 PolarHBondContact O-N 3Å
86D93.7Very high93.5Very high28 Ų2849.4 Ų49.415%0.1525%0.248CC..Hα-helixtrans-68.5-38.6178.3-63.3-42.5000111.3K83 Y84 L88 A89 R140K83-D86 HydrophobicContact CB-CB 4.49Å; K83-D86 PolarHBondContact O-N 3.28Å; Y84-D86 PolarHBondContact O-N 3.28Å; D86-L88 VanDerWaalsContact C-N 3.34Å; D86-A89 VanDerWaalsContact O-CB 3.31Å; D86-A89 WeakPolarHBondContact O-CB 3.31Å; D86-A89 PolarHBondContact O-N 2.78Å; D86-R140 HydrophobicContact CB-CG 4.09Å; D86-R140 WeakPolarHBondContact OD1-CD 3.25Å; D86-R140 WeakPolarHBondContact OD1-CG 3.27Å; D86-R140 IonicContact OD1-CZ 3.84Å; D86-R140 IonicContact OD1-NE 2.84Å; D86-R140 PolarHBondContact OD1-NE 3.06Å; D86-R140 IonicContact OD1-NH2 3.78Å; D86-R140 IonicContact OD2-NE 3.95Å
87A94.6Very high93.5Very high0 Ų053.9 Ų53.90%026%0.263CS..Hα-helixtrans-66.2-38.4175.600000111.2F74 A77 F78 K83 Y84 A89 V90F74-A87 VanDerWaalsContact CD2-C 3.47Å; F74-A87 HydrophobicContact CD2-CB 3.76Å; F74-A87 VanDerWaalsContact CD2-O 3.29Å; F74-A87 WeakPolarHBondContact CD2-O 3.38Å; F74-A87 HydrophobicContact CE2-CB 3.72Å; A77-A87 HydrophobicContact CB-CB 4.13Å; F78-A87 HydrophobicContact CB-CB 4.36Å; K83-A87 WeakPolarHBondContact O-CB 3.44Å; K83-A87 PolarHBondContact O-N 2.95Å; Y84-A87 PolarHBondContact O-N 3.36Å; A87-A89 PolarHBondContact O-N 3.19Å; A87-V90 VanDerWaalsContact O-CB 3.27Å; A87-V90 WeakPolarHBondContact O-CB 3.41Å; A87-V90 WeakPolarHBondContact O-CG2 3.45Å; A87-V90 PolarHBondContact O-N 2.85Å
88L94.6Very high93.4Very high15 Ų1555.6 Ų55.68%0.07927%0.273CS..Hα-helixtrans-61-27.6178.5-175.560.4000112.2V34 F74 Y84 E85 D86 V90 V91 R92V34-L88 HydrophobicContact CB-CD1 4.37Å; V34-L88 HydrophobicContact CG1-CD1 3.72Å; V34-L88 HydrophobicContact CG2-CD1 3.72Å; F74-L88 HydrophobicContact CE2-CB 4.34Å; Y84-L88 HydrophobicContact CE1-CD2 4.28Å; Y84-L88 WeakPolarHBondContact O-CB 3.48Å; Y84-L88 PolarHBondContact O-N 2.79Å; E85-L88 PolarHBondContact O-N 3.29Å; D86-L88 VanDerWaalsContact C-N 3.34Å; L88-V90 PolarHBondContact O-N 2.97Å; L88-V91 PolarHBondContact O-N 3.43Å; L88-V91 VanDerWaalsContact O-N 3.07Å; L88-R92 HydrophobicContact CG-CG 4.37Å; L88-R92 PolarHBondContact O-N 3.41Å
89A93.4Very high93.4Very high26 Ų2658 Ų5822%0.21529%0.286CS..Hα-helixtrans-59.2-30.8174.600000112.9E85 D86 A87 V91 R92 I93E85-A89 PolarHBondContact O-N 3Å; D86-A89 VanDerWaalsContact O-CB 3.31Å; D86-A89 WeakPolarHBondContact O-CB 3.31Å; D86-A89 PolarHBondContact O-N 2.78Å; A87-A89 PolarHBondContact O-N 3.19Å; A89-V91 VanDerWaalsContact C-N 3.26Å; A89-V91 PolarHBondContact O-N 2.88Å; A89-R92 PolarHBondContact O-N 2.81Å; A89-I93 PolarHBondContact O-N 2.92Å
90V93.6Very high93.4Very high9 Ų959.9 Ų59.96%0.05530%0.3CS..Hα-helixtrans-62.3-34.5175.9-1780000111.6D73 A77 A87 L88 I96 L151D73-V90 HydrophobicContact CB-CG1 3.92Å; A77-V90 HydrophobicContact CB-CG2 4.46Å; A87-V90 VanDerWaalsContact O-CB 3.27Å; A87-V90 WeakPolarHBondContact O-CB 3.41Å; A87-V90 WeakPolarHBondContact O-CG2 3.45Å; A87-V90 PolarHBondContact O-N 2.85Å; L88-V90 PolarHBondContact O-N 2.97Å; V90-I96 HydrophobicContact CG2-CG2 4.03Å; V90-L151 HydrophobicContact CG2-CD1 3.78Å; V90-L151 HydrophobicContact CG2-CG 4.41Å
91V92.8Very high93.5Very high16 Ų1658 Ų5810%0.09729%0.292CS..Hα-helixtrans-78.8-36.8178.2-178.60000111V34 L39 F74 L88 A89V34-V91 HydrophobicContact CG1-CG1 4.29Å; V34-V91 HydrophobicContact CG1-CG2 4.28Å; L39-V91 HydrophobicContact CD1-CG1 3.89Å; L39-V91 HydrophobicContact CD1-CG2 4.28Å; L39-V91 HydrophobicContact CD2-CG1 4.22Å; L39-V91 HydrophobicContact CG-CG1 4.11Å; F74-V91 HydrophobicContact CB-CG2 3.62Å; F74-V91 HydrophobicContact CD1-CG2 4.25Å; F74-V91 HydrophobicContact CD2-CG2 4.05Å; F74-V91 HydrophobicContact CG-CG2 3.72Å; L88-V91 PolarHBondContact O-N 3.43Å; L88-V91 VanDerWaalsContact O-N 3.07Å; A89-V91 VanDerWaalsContact C-N 3.26Å; A89-V91 PolarHBondContact O-N 2.88Å
92R91.2Very high93.4Very high176 Ų17660.3 Ų60.366%0.66430%0.296SS*.Hα-helixtrans-81.6-38.1-171.7-69.6-177.6177.8-156.40.4114.2L88 A89L88-R92 HydrophobicContact CG-CG 4.37Å; L88-R92 PolarHBondContact O-N 3.41Å; A89-R92 PolarHBondContact O-N 2.81Å
93I89.2Confident93.3Very high98 Ų9860.2 Ų60.250%0.50330%0.295SS..SBendtrans-116.6120.4-170.8-55.9173.7000108.6A89 I96A89-I93 PolarHBondContact O-N 2.92Å; I93-I96 HydrophobicContact CB-CG1 3.85Å; I93-I96 HydrophobicContact CG2-CD1 4.45Å; I93-I96 HydrophobicContact CG2-CG1 3.93Å
94D87.5Confident93.1Very high119 Ų11957 Ų5764%0.63628%0.284SS*.THydrogen-bonded Turntrans-67.1140.6172.3-72.3-41000111.2K70K70-D94 WeakPolarHBondContact CE-OD1 3.37Å; K70-D94 IonicContact NZ-OD1 3.92Å; K70-D94 PolarHBondContact NZ-OD1 2.86Å; K70-D94 IonicContact NZ-OD2 3.76Å
95G90Very high93Very high27 Ų2759.2 Ų59.228%0.27830%0.3SS..THydrogen-bonded Turntrans86.57.2-178.300000115.2Y97 S153G95-Y97 VanDerWaalsContact O-CD2 3.25Å; G95-Y97 WeakPolarHBondContact O-CD2 3.32Å; G95-Y97 VanDerWaalsContact O-CE2 3.31Å; G95-Y97 WeakPolarHBondContact O-CE2 3.29Å; G95-S153 WeakPolarHBondContact O-CA 3.45Å
96I93.9Very high92.7Very high33 Ų3353.8 Ų53.817%0.16928%0.277CS..EExtended strand (participates in β ladder)trans-86.6121.9167.1-59.4-63.4000109.7V90 I93 L151V90-I96 HydrophobicContact CG2-CG2 4.03Å; I93-I96 HydrophobicContact CB-CG1 3.85Å; I93-I96 HydrophobicContact CG2-CD1 4.45Å; I93-I96 HydrophobicContact CG2-CG1 3.93Å; I96-L151 HydrophobicContact CG2-CD2 3.67Å; I96-L151 HydrophobicContact CG2-CG 3.92Å
97Y94.2Very high92.3Very high132 Ų13256 Ų5652%0.51829%0.285SS..EExtended strand (participates in β ladder)trans-120.7161.5-179.5-57.5-73.5000111.3G95 L151 G152 N154 I157G95-Y97 VanDerWaalsContact O-CD2 3.25Å; G95-Y97 WeakPolarHBondContact O-CD2 3.32Å; G95-Y97 VanDerWaalsContact O-CE2 3.31Å; G95-Y97 WeakPolarHBondContact O-CE2 3.29Å; Y97-L151 WeakPolarHBondContact O-CA 3.45Å; Y97-G152 PolarHBondContact N-O 3.43Å; Y97-G152 PolarHBondContact O-N 3.13Å; Y97-N154 HydrophobicContact CD2-CB 4.23Å; Y97-N154 HydrophobicContact CE2-CB 4.5Å; Y97-I157 WeakPolarHBondContact O-CD1 3.34Å
98V94.5Very high91.7Very high35 Ų3564 Ų6421%0.21232%0.322CS..EExtended strand (participates in β ladder)trans-114.8112.8172.3-177.20000109.6A77 K80 F82 I150 L151A77-V98 HydrophobicContact CB-CG2 3.91Å; K80-V98 HydrophobicContact CD-CG1 3.72Å; F82-V98 HydrophobicContact CE2-CG1 3.83Å; V98-I150 CarbonylContact C-O 3.55Å; V98-I150 WeakPolarHBondContact CA-O 3.48Å; V98-L151 HydrophobicContact CG2-CB 4.3Å; V98-L151 HydrophobicContact CG2-CD1 3.95Å; V98-L151 HydrophobicContact CG2-CG 4.17Å
99N95.2Very high91.2Very high58 Ų5868.4 Ų68.431%0.3135%0.35SS..EExtended strand (participates in β ladder)trans-100.8133.4174.3-167.3-75.6000110.1H149 I150 I157N99-H149 CarbonylContact O-C 3.56Å; N99-H149 WeakPolarHBondContact O-CA 3.22Å; N99-I150 PolarHBondContact N-O 3.45Å; N99-I150 PolarHBondContact O-N 3.06Å; N99-I157 HydrophobicContact CB-CD1 4.41Å; N99-I157 HydrophobicContact CB-CG2 3.64Å
100S95.5Very high90.5Very high50 Ų5067.9 Ų67.935%0.3534%0.343SS..EExtended strand (participates in β ladder)trans-119138.9174.7-59.40000109.3K80 I148 H149K80-S100 WeakPolarHBondContact CE-OG 3.46Å; K80-S100 PolarHBondContact NZ-OG 2.85Å; S100-I148 WeakPolarHBondContact CA-O 3.41Å; S100-H149 WeakPolarHBondContact CB-ND1 3.3Å; S100-H149 PolarHBondContact OG-CE1 3.43Å; S100-H149 PolarHBondContact OG-ND1 2.84Å
101F95.5Very high90.1Very high6 Ų675.4 Ų75.43%0.02638%0.375CS..EExtended strand (participates in β ladder)trans-146.2155.5169.766.2-81.3000111V106 I148 I150 R161 I164 I168F101-V106 HydrophobicContact CD2-CG2 4.3Å; F101-V106 HydrophobicContact CE2-CG2 4.3Å; F101-I148 HydrophobicContact CD1-CB 4.39Å; F101-I148 HydrophobicContact CE1-CB 3.84Å; F101-I148 HydrophobicContact CE1-CG2 3.91Å; F101-I148 HydrophobicContact CE2-CB 4.27Å; F101-I148 HydrophobicContact CE2-CD1 3.93Å; F101-I148 HydrophobicContact CZ-CB 3.79Å; F101-I148 HydrophobicContact CZ-CD1 3.81Å; F101-I148 HydrophobicContact CZ-CG1 4.34Å; F101-I148 HydrophobicContact CZ-CG2 3.96Å; F101-I148 PolarHBondContact N-O 2.94Å; F101-I148 PolarHBondContact O-N 3.37Å; F101-I150 HydrophobicContact CE1-CD1 3.79Å; F101-I150 HydrophobicContact CE1-CG1 4.19Å; F101-R161 HydrophobicContact CD1-CG 4.34Å; F101-R161 HydrophobicContact CE1-CG 4.11Å; F101-R161 HydrophobicContact CZ-CG 4.38Å; F101-I164 HydrophobicContact CE2-CG2 4.23Å; F101-I164 HydrophobicContact CZ-CB 4.22Å; F101-I164 HydrophobicContact CZ-CD1 4.42Å; F101-I164 HydrophobicContact CZ-CG2 3.7Å; F101-I168 HydrophobicContact CE2-CD1 4.27Å
102H94.1Very high89.9Confident75 Ų7577.4 Ų77.435%0.34740%0.399SS..EExtended strand (participates in β ladder)trans-91147173.2-80.8-92.5000111M104 D105 T147H102-M104 PolarHBondContact O-N 3.2Å; H102-D105 PolarHBondContact N-OD2 2.84Å; H102-D105 WeakPolarHBondContact O-CB 3.47Å; H102-D105 PolarHBondContact O-N 3.06Å; H102-D105 VanDerWaalsContact O-N 3.14Å; H102-T147 PolarHBondContact CE1-OG1 3.28Å; H102-T147 PolarHBondContact ND1-OG1 2.89Å; H102-T147 PolarHBondContact NE2-OG1 3.48Å
103I92.5Very high89.9Confident0 Ų075.3 Ų75.30%040%0.402CS..Hα-helixtrans-61.7-33.9174.3-65.2171.1000110.8D105 V106 K107 L110 M115 A118 V119 I122 E146 I148 I168I103-D105 PolarHBondContact O-N 3.34Å; I103-V106 PolarHBondContact O-N 3.14Å; I103-V106 VanDerWaalsContact O-N 3.12Å; I103-K107 PolarHBondContact O-N 2.94Å; I103-L110 HydrophobicContact CG2-CD1 3.7Å; I103-M115 HydrophobicContact CB-SD 3.83Å; I103-M115 HydrophobicContact CD1-SD 4.18Å; I103-M115 HydrophobicContact CG2-CE 4.38Å; I103-M115 HydrophobicContact CG2-SD 3.51Å; I103-M115 VanDerWaalsContact CG2-SD 3.51Å; I103-A118 HydrophobicContact CG2-CB 4.46Å; I103-V119 HydrophobicContact CD1-CG2 3.56Å; I103-I122 HydrophobicContact CD1-CD1 4.04Å; I103-I122 HydrophobicContact CG1-CD1 4.44Å; I103-E146 WeakPolarHBondContact CG1-O 3.32Å; I103-E146 PolarHBondContact N-O 2.8Å; I103-I148 HydrophobicContact CD1-CD1 4.18Å; I103-I148 HydrophobicContact CD1-CG1 4.45Å; I103-I148 HydrophobicContact CG1-CD1 3.79Å; I103-I148 HydrophobicContact CG1-CG1 4.17Å; I103-I168 HydrophobicContact CB-CD1 4.48Å; I103-I168 HydrophobicContact CG1-CD1 4.15Å; I103-I168 HydrophobicContact CG2-CD1 4.14Å; I103-I168 HydrophobicContact CG2-CG1 4.29Å; I103-I168 HydrophobicContact CG2-CG2 3.9Å
104M90.4Very high90.1Very high81 Ų8175.8 Ų75.840%0.39940%0.401SS..Hα-helixtrans-62.5-28.5176.6-66.6-168.4-72.500113.4H102 V106 K107 Q108 M115H102-M104 PolarHBondContact O-N 3.2Å; M104-V106 PolarHBondContact O-N 3.06Å; M104-K107 CarbonylContact O-C 3.57Å; M104-K107 PolarHBondContact O-N 2.84Å; M104-Q108 WeakPolarHBondContact O-CG 3.15Å; M104-Q108 PolarHBondContact O-N 3.21Å; M104-M115 HydrophobicContact CG-CE 3.54Å; M104-M115 HydrophobicContact SD-CE 4.42Å
105D91.8Very high90.3Very high109 Ų10970.9 Ų70.958%0.58338%0.375SS*.Hα-helixtrans-66.9-24.8177.5-57.2-27.8000111.8H102 I103H102-D105 PolarHBondContact N-OD2 2.84Å; H102-D105 WeakPolarHBondContact O-CB 3.47Å; H102-D105 PolarHBondContact O-N 3.06Å; H102-D105 VanDerWaalsContact O-N 3.14Å; I103-D105 PolarHBondContact O-N 3.34Å
106V88.7Confident90.4Very high36 Ų3672.7 Ų72.722%0.21839%0.387CS..Hα-helixtrans-87.4-43.6178.4-176.70000110.8F101 I103 M104 C165 I168 L169F101-V106 HydrophobicContact CD2-CG2 4.3Å; F101-V106 HydrophobicContact CE2-CG2 4.3Å; I103-V106 PolarHBondContact O-N 3.14Å; I103-V106 VanDerWaalsContact O-N 3.12Å; M104-V106 PolarHBondContact O-N 3.06Å; V106-C165 HydrophobicContact CG1-CB 4.01Å; V106-C165 VanDerWaalsContact CG2-SG 3.58Å; V106-I168 HydrophobicContact CB-CD1 4.42Å; V106-I168 HydrophobicContact CB-CG2 4.19Å; V106-I168 HydrophobicContact CG1-CB 4.31Å; V106-I168 HydrophobicContact CG1-CG2 4.06Å; V106-I168 HydrophobicContact CG2-CD1 4.14Å; V106-L169 HydrophobicContact CG1-CD2 4.27Å; V106-L169 HydrophobicContact CG1-CG 4.18Å
107K85.3Confident90.3Very high75 Ų7578.8 Ų78.833%0.32641%0.408SS..  trans-146.399.9-178.6-171.7174.3-178.5176.20110.3I103 M104 T109 L110 I168I103-K107 PolarHBondContact O-N 2.94Å; M104-K107 CarbonylContact O-C 3.57Å; M104-K107 PolarHBondContact O-N 2.84Å; K107-T109 VanDerWaalsContact CE-OG1 3.25Å; K107-T109 WeakPolarHBondContact CE-OG1 3.4Å; K107-T109 WeakPolarHBondContact CG-OG1 3.41Å; K107-T109 PolarHBondContact O-N 2.82Å; K107-L110 HydrophobicContact CB-CD1 3.81Å; K107-L110 HydrophobicContact CB-CG 4.03Å; K107-L110 HydrophobicContact CD-CD1 4.22Å; K107-L110 HydrophobicContact CD-CD2 4.1Å; K107-L110 HydrophobicContact CD-CG 3.96Å; K107-L110 HydrophobicContact CG-CD1 4.25Å; K107-L110 HydrophobicContact CG-CG 3.95Å; K107-L110 PolarHBondContact O-N 3.14Å; K107-I168 HydrophobicContact CB-CG2 4.34Å
108Q82.1Confident90.3Very high168 Ų16872.8 Ų72.879%0.78539%0.386SS*.THydrogen-bonded Turntrans-63.6-21.8-177.5-67.4177.1-13.800113.8M104 L110M104-Q108 WeakPolarHBondContact O-CG 3.15Å; M104-Q108 PolarHBondContact O-N 3.21Å; Q108-L110 PolarHBondContact O-N 3.33Å
109T84.2Confident90.3Very high108 Ų10872.6 Ų72.666%0.66339%0.385SS*.THydrogen-bonded Turntrans-78.9-4.1-177.554.50000114.1K107 K111K107-T109 VanDerWaalsContact CE-OG1 3.25Å; K107-T109 WeakPolarHBondContact CE-OG1 3.4Å; K107-T109 WeakPolarHBondContact CG-OG1 3.41Å; K107-T109 PolarHBondContact O-N 2.82Å; T109-K111 PolarHBondContact O-N 3.32Å
110L78.8Confident90.2Very high14 Ų1471.8 Ų71.87%0.07339%0.39CS..  trans-77.5109.9179.3-65172.5000110.1I103 K107 Q108 H114 M115 A118 I168I103-L110 HydrophobicContact CG2-CD1 3.7Å; K107-L110 HydrophobicContact CB-CD1 3.81Å; K107-L110 HydrophobicContact CB-CG 4.03Å; K107-L110 HydrophobicContact CD-CD1 4.22Å; K107-L110 HydrophobicContact CD-CD2 4.1Å; K107-L110 HydrophobicContact CD-CG 3.96Å; K107-L110 HydrophobicContact CG-CD1 4.25Å; K107-L110 HydrophobicContact CG-CG 3.95Å; K107-L110 PolarHBondContact O-N 3.14Å; Q108-L110 PolarHBondContact O-N 3.33Å; L110-H114 HydrophobicContact CD2-CB 3.9Å; L110-M115 HydrophobicContact CB-CE 4Å; L110-M115 HydrophobicContact CB-SD 4.3Å; L110-M115 WeakPolarHBondContact O-CE 3.41Å; L110-A118 HydrophobicContact CD1-CB 4.08Å; L110-I168 HydrophobicContact CD1-CG2 3.58Å
111K85.2Confident90.1Very high167 Ų16773.2 Ų73.273%0.72639%0.388SS*.  trans-132.6150.8172.4-66-171.6178.5-176.90110.7T109 D113 H114T109-K111 PolarHBondContact O-N 3.32Å; K111-D113 PolarHBondContact O-N 3.32Å; K111-H114 PolarHBondContact O-N 3.18Å
112G88.4Confident90.1Very high58 Ų5873 Ų7360%0.59839%0.387SS*.THydrogen-bonded Turntrans54-125.4175.700000113H114 M115 A116G112-H114 PolarHBondContact O-N 3.24Å; G112-H114 VanDerWaalsContact O-N 3.14Å; G112-M115 WeakPolarHBondContact O-CB 3.29Å; G112-M115 PolarHBondContact O-N 3.12Å; G112-A116 PolarHBondContact O-N 3.45Å
113D91.7Very high90.1Very high133 Ų13371.1 Ų71.171%0.71138%0.381SS*.Hα-helixtrans-57.3-30.4-177.3-67.2-14.1000113.9K111 M115 A116 R117K111-D113 PolarHBondContact O-N 3.32Å; D113-M115 VanDerWaalsContact C-N 3.34Å; D113-A116 PolarHBondContact O-N 3.36Å; D113-R117 VanDerWaalsContact O-CB 3.28Å; D113-R117 WeakPolarHBondContact O-CB 3.38Å; D113-R117 PolarHBondContact O-N 3.31Å
114H91.7Very high90.1Very high107 Ų10772 Ų7250%0.49539%0.391SS..Hα-helixtrans-69.5-34.1176.8-63.1-61.6000112.1L110 K111 G112 A118L110-H114 HydrophobicContact CD2-CB 3.9Å; K111-H114 PolarHBondContact O-N 3.18Å; G112-H114 PolarHBondContact O-N 3.24Å; G112-H114 VanDerWaalsContact O-N 3.14Å; H114-A118 PolarHBondContact O-N 3.37Å
115M92.2Very high90.3Very high16 Ų1670.9 Ų70.98%0.07939%0.394CS..Hα-helixtrans-67.1-48.9174-172.765.779.900110.2I103 M104 L110 G112 D113 R117 A118 V119 E146I103-M115 HydrophobicContact CB-SD 3.83Å; I103-M115 HydrophobicContact CD1-SD 4.18Å; I103-M115 HydrophobicContact CG2-CE 4.38Å; I103-M115 HydrophobicContact CG2-SD 3.51Å; I103-M115 VanDerWaalsContact CG2-SD 3.51Å; M104-M115 HydrophobicContact CG-CE 3.54Å; M104-M115 HydrophobicContact SD-CE 4.42Å; L110-M115 HydrophobicContact CB-CE 4Å; L110-M115 HydrophobicContact CB-SD 4.3Å; L110-M115 WeakPolarHBondContact O-CE 3.41Å; G112-M115 WeakPolarHBondContact O-CB 3.29Å; G112-M115 PolarHBondContact O-N 3.12Å; D113-M115 VanDerWaalsContact C-N 3.34Å; M115-R117 VanDerWaalsContact C-N 3.26Å; M115-R117 PolarHBondContact O-N 3.3Å; M115-A118 WeakPolarHBondContact O-CB 3.34Å; M115-A118 PolarHBondContact O-N 3.27Å; M115-V119 WeakPolarHBondContact O-CG2 3.25Å; M115-V119 PolarHBondContact O-N 3.39Å; M115-E146 HydrophobicContact CG-CG 4.3Å; M115-E146 HydrophobicContact SD-CG 4.47Å
116A92Very high90.4Very high66 Ų6675.5 Ų75.555%0.54541%0.409SS..Hα-helixtrans-58.2-39.7176.600000111.8G112 D113 V119 G120G112-A116 PolarHBondContact O-N 3.45Å; D113-A116 PolarHBondContact O-N 3.36Å; A116-V119 PolarHBondContact O-N 3.2Å; A116-G120 PolarHBondContact O-N 3.34Å
117R92.7Very high90.5Very high161 Ų16174.3 Ų74.361%0.60840%0.404SS*.Hα-helixtrans-65.3-41.2174.6-169.4179.5-62.3169.22.5112.2D113 M115 G120 R121D113-R117 VanDerWaalsContact O-CB 3.28Å; D113-R117 WeakPolarHBondContact O-CB 3.38Å; D113-R117 PolarHBondContact O-N 3.31Å; M115-R117 VanDerWaalsContact C-N 3.26Å; M115-R117 PolarHBondContact O-N 3.3Å; R117-G120 PolarHBondContact O-N 3.07Å; R117-R121 WeakPolarHBondContact O-CG 3.43Å; R117-R121 PolarHBondContact O-N 3.18Å
118A93.4Very high91Very high5 Ų578.9 Ų78.94%0.04142%0.42CS..Hα-helixtrans-62.3-46.7176.600000111.3I103 L110 H114 M115 G120 R121 I122I103-A118 HydrophobicContact CG2-CB 4.46Å; L110-A118 HydrophobicContact CD1-CB 4.08Å; H114-A118 PolarHBondContact O-N 3.37Å; M115-A118 WeakPolarHBondContact O-CB 3.34Å; M115-A118 PolarHBondContact O-N 3.27Å; A118-G120 VanDerWaalsContact C-N 3.31Å; A118-G120 PolarHBondContact O-N 3.27Å; A118-R121 WeakPolarHBondContact O-CB 3.41Å; A118-R121 PolarHBondContact O-N 3.36Å; A118-R121 VanDerWaalsContact O-N 3.11Å; A118-I122 WeakPolarHBondContact O-CG1 3.31Å; A118-I122 PolarHBondContact O-N 3.46Å; A118-I122 VanDerWaalsContact O-N 3.1Å
119V94.2Very high91.5Very high32 Ų3272 Ų7219%0.19439%0.388CS..Hα-helixtrans-58-44.2173.1175.70000110.9I103 M115 A116 R121 I122 C123 V143 D145I103-V119 HydrophobicContact CD1-CG2 3.56Å; M115-V119 WeakPolarHBondContact O-CG2 3.25Å; M115-V119 PolarHBondContact O-N 3.39Å; A116-V119 PolarHBondContact O-N 3.2Å; V119-R121 VanDerWaalsContact C-N 3.29Å; V119-R121 PolarHBondContact O-N 2.86Å; V119-I122 PolarHBondContact O-N 3.27Å; V119-I122 VanDerWaalsContact O-N 3.15Å; V119-C123 PolarHBondContact O-N 3.31Å; V119-V143 HydrophobicContact CG1-CG1 4.05Å; V119-D145 VanDerWaalsContact CG2-O 3.29Å; V119-D145 WeakPolarHBondContact CG2-O 3.38Å
120G94.3Very high92Very high41 Ų4170.2 Ų70.242%0.42337%0.369SS..Hα-helixtrans-59-35.2175.500000113.8A116 R117 A118 G124A116-G120 PolarHBondContact O-N 3.34Å; R117-G120 PolarHBondContact O-N 3.07Å; A118-G120 VanDerWaalsContact C-N 3.31Å; A118-G120 PolarHBondContact O-N 3.27Å; G120-G124 WeakPolarHBondContact O-CA 3.37Å; G120-G124 PolarHBondContact O-N 3.26Å
121R93.2Very high92.8Very high80 Ų8073.9 Ų73.930%0.30239%0.387SS..Hα-helixtrans-72.2-35.4175.1-69.4176.473.4144.99.2113R117 A118 V119 I129 L167 G170 A171R117-R121 WeakPolarHBondContact O-CG 3.43Å; R117-R121 PolarHBondContact O-N 3.18Å; A118-R121 WeakPolarHBondContact O-CB 3.41Å; A118-R121 PolarHBondContact O-N 3.36Å; A118-R121 VanDerWaalsContact O-N 3.11Å; V119-R121 VanDerWaalsContact C-N 3.29Å; V119-R121 PolarHBondContact O-N 2.86Å; R121-I129 WeakPolarHBondContact O-CD1 3.38Å; R121-L167 PolarHBondContact NE-O 2.85Å; R121-G170 VanDerWaalsContact NH1-CA 3.27Å; R121-G170 PolarHBondContact NH1-O 3.27Å; R121-G170 PolarHBondContact NH2-O 2.92Å; R121-A171 VanDerWaalsContact NH2-C 3.3Å; R121-A171 PolarHBondContact NH2-O 3.16Å
122I94.7Very high93.2Very high1 Ų168.4 Ų68.41%0.00537%0.369CS..Hα-helixtrans-68-48.1178-64158.2000110.4I103 A118 V119 R130 V143 I148 I164 I168I103-I122 HydrophobicContact CD1-CD1 4.04Å; I103-I122 HydrophobicContact CG1-CD1 4.44Å; A118-I122 WeakPolarHBondContact O-CG1 3.31Å; A118-I122 PolarHBondContact O-N 3.46Å; A118-I122 VanDerWaalsContact O-N 3.1Å; V119-I122 PolarHBondContact O-N 3.27Å; V119-I122 VanDerWaalsContact O-N 3.15Å; I122-R130 PolarHBondContact O-N 2.89Å; I122-V143 HydrophobicContact CG2-CG2 4.11Å; I122-I148 HydrophobicContact CD1-CD1 3.5Å; I122-I148 VanDerWaalsContact CD1-CD1 3.5Å; I122-I164 HydrophobicContact CD1-CG2 4.16Å; I122-I164 HydrophobicContact CG1-CG2 4.12Å; I122-I164 HydrophobicContact CG2-CG2 4.43Å; I122-I168 HydrophobicContact CD1-CD1 4.11Å; I122-I168 HydrophobicContact CD1-CG1 3.76Å; I122-I168 HydrophobicContact CG1-CG1 4.24Å
123C94.9Very high93.5Very high35 Ų3565.7 Ų65.724%0.23634%0.341CS..Hα-helixtrans-68.6-46.9176.8-68.60000110.9V119 G127 R128 I129 R130V119-C123 PolarHBondContact O-N 3.31Å; C123-G127 CarbonylContact O-C 3.41Å; C123-G127 WeakPolarHBondContact O-CA 3.27Å; C123-R128 PolarHBondContact O-N 3.4Å; C123-I129 PolarHBondContact O-N 3.02Å; C123-R130 PolarHBondContact O-N 2.95Å
124G92.9Very high93.6Very high19 Ų1960.2 Ų60.220%0.19631%0.311CS..  trans66.5-179.9-167.600000112.4G120 K126 G127G120-G124 WeakPolarHBondContact O-CA 3.37Å; G120-G124 PolarHBondContact O-N 3.26Å; G124-K126 PolarHBondContact O-N 2.83Å; G124-K126 VanDerWaalsContact O-N 3.15Å; G124-G127 PolarHBondContact O-N 3.38Å; G124-G127 VanDerWaalsContact O-N 3.13Å
125A93.9Very high93.7Very high57 Ų5760.5 Ų60.547%0.47132%0.316SS..G310 helixtrans-59.7119.1178.600000111G127 R128A125-G127 PolarHBondContact O-N 3.02Å; A125-R128 VanDerWaalsContact O-CB 3.32Å; A125-R128 WeakPolarHBondContact O-CB 3.34Å; A125-R128 WeakPolarHBondContact O-CG 3.06Å; A125-R128 PolarHBondContact O-N 3.35Å; A125-R128 VanDerWaalsContact O-N 3.15Å; A125-R128 PolarHBondContact O-NE 2.79Å
126K93.2Very high93.7Very high206 Ų20661.5 Ų61.590%0.89633%0.327SS*.G310 helixtrans55.127.9-176.3-60.3-177.5176.3-179.60114.4G124 R128G124-K126 PolarHBondContact O-N 2.83Å; G124-K126 VanDerWaalsContact O-N 3.15Å; K126-R128 VanDerWaalsContact C-N 3.28Å; K126-R128 PolarHBondContact O-N 2.9Å
127G92.7Very high93.7Very high11 Ų1158.6 Ų58.611%0.11330%0.302CS..G310 helixtrans77.78.7-179.200000114.6C123 G124 A125 I129 R130 M131C123-G127 CarbonylContact O-C 3.41Å; C123-G127 WeakPolarHBondContact O-CA 3.27Å; G124-G127 PolarHBondContact O-N 3.38Å; G124-G127 VanDerWaalsContact O-N 3.13Å; A125-G127 PolarHBondContact O-N 3.02Å; G127-I129 VanDerWaalsContact C-N 3.32Å; G127-I129 PolarHBondContact O-N 2.91Å; G127-R130 PolarHBondContact O-N 2.59Å; G127-M131 WeakPolarHBondContact O-CG 3.41Å; G127-M131 PolarHBondContact O-N 2.92Å
128R93.7Very high93.7Very high172 Ų17258.3 Ų58.365%0.64930%0.301SS*.Hα-helixtrans-58.4-39.2-175.5-77.2-173.5-68-1791.4113.5C123 A125 K126 C132C123-R128 PolarHBondContact O-N 3.4Å; A125-R128 VanDerWaalsContact O-CB 3.32Å; A125-R128 WeakPolarHBondContact O-CB 3.34Å; A125-R128 WeakPolarHBondContact O-CG 3.06Å; A125-R128 PolarHBondContact O-N 3.35Å; A125-R128 VanDerWaalsContact O-N 3.15Å; A125-R128 PolarHBondContact O-NE 2.79Å; K126-R128 VanDerWaalsContact C-N 3.28Å; K126-R128 PolarHBondContact O-N 2.9Å; R128-C132 VanDerWaalsContact O-CB 3.3Å; R128-C132 WeakPolarHBondContact O-CB 3.49Å; R128-C132 PolarHBondContact O-N 2.93Å
129I94.1Very high93.8Very high24 Ų2458.2 Ų58.212%0.12330%0.3CS..Hα-helixtrans-68.9-48.3-178.9-66.2-179000109.5R121 C123 G127 M131 C132 I133 L167 P173 F177R121-I129 WeakPolarHBondContact O-CD1 3.38Å; C123-I129 PolarHBondContact O-N 3.02Å; G127-I129 VanDerWaalsContact C-N 3.32Å; G127-I129 PolarHBondContact O-N 2.91Å; I129-M131 PolarHBondContact O-N 3.42Å; I129-C132 WeakPolarHBondContact O-CB 3.36Å; I129-C132 PolarHBondContact O-N 3.04Å; I129-I133 HydrophobicContact CG2-CD1 4.09Å; I129-I133 WeakPolarHBondContact O-CG1 3.42Å; I129-I133 PolarHBondContact O-N 3.19Å; I129-L167 HydrophobicContact CG2-CD1 3.72Å; I129-L167 HydrophobicContact CG2-CD2 4.45Å; I129-P173 HydrophobicContact CD1-CB 4Å; I129-P173 HydrophobicContact CD1-CG 3.73Å; I129-F177 HydrophobicContact CG1-CZ 4.23Å; I129-F177 HydrophobicContact CG2-CZ 4.31Å
130R94.4Very high93.9Very high69 Ų6961.4 Ų61.426%0.2631%0.309SS..Hα-helixtrans-54.5-51175.4-175-171.372.2178.3-7.2111.4I122 C123 G127 C132 I133 E134 I141I122-R130 PolarHBondContact O-N 2.89Å; C123-R130 PolarHBondContact O-N 2.95Å; G127-R130 PolarHBondContact O-N 2.59Å; R130-C132 VanDerWaalsContact C-N 3.29Å; R130-C132 PolarHBondContact O-N 2.7Å; R130-I133 PolarHBondContact O-N 3.36Å; R130-E134 HydrophobicContact CG-CG 4.32Å; R130-E134 IonicContact NE-OE2 2.7Å; R130-E134 WeakPolarHBondContact O-CB 3.36Å; R130-E134 WeakPolarHBondContact O-CG 3.33Å; R130-E134 PolarHBondContact O-N 3.39Å; R130-I141 WeakPolarHBondContact CD-O 3.44Å; R130-I141 HydrophobicContact CG-CB 3.96Å; R130-I141 HydrophobicContact CG-CG2 4.11Å
131M94.4Very high94Very high92 Ų9259.7 Ų59.745%0.45329%0.29SS..Hα-helixtrans-61.9-36.8179.8-71.8179.5-179.400112.6G127 I129 E134 N135G127-M131 WeakPolarHBondContact O-CG 3.41Å; G127-M131 PolarHBondContact O-N 2.92Å; I129-M131 PolarHBondContact O-N 3.42Å; M131-E134 PolarHBondContact O-N 2.93Å; M131-N135 WeakPolarHBondContact O-CB 3.39Å; M131-N135 PolarHBondContact O-N 3.35Å; M131-N135 PolarHBondContact O-ND2 3.23Å
132C93.9Very high94.1Very high51 Ų5157.1 Ų57.135%0.34528%0.283SS..Hα-helixtrans-65.2-42.9176.3-173.10000111.6R128 I129 R130 A136 F177R128-C132 VanDerWaalsContact O-CB 3.3Å; R128-C132 WeakPolarHBondContact O-CB 3.49Å; R128-C132 PolarHBondContact O-N 2.93Å; I129-C132 WeakPolarHBondContact O-CB 3.36Å; I129-C132 PolarHBondContact O-N 3.04Å; R130-C132 VanDerWaalsContact C-N 3.29Å; R130-C132 PolarHBondContact O-N 2.7Å; C132-A136 WeakPolarHBondContact O-CB 3.33Å; C132-A136 PolarHBondContact O-N 3.27Å; C132-F177 HydrophobicContact CB-CE1 3.71Å; C132-F177 HydrophobicContact CB-CZ 4.06Å; C132-F177 WeakPolarHBondContact SG-CE1 3.39Å
133I94.5Very high94.1Very high1 Ų158.6 Ų58.61%0.00529%0.292CS..Hα-helixtrans-63.2-51.3174.5-61.9173.6000109.8I129 R130 N135 A136 T137 I141 A160 A163 I164 L167 I180I129-I133 HydrophobicContact CG2-CD1 4.09Å; I129-I133 WeakPolarHBondContact O-CG1 3.42Å; I129-I133 PolarHBondContact O-N 3.19Å; R130-I133 PolarHBondContact O-N 3.36Å; I133-N135 VanDerWaalsContact C-N 3.32Å; I133-N135 PolarHBondContact O-N 3.2Å; I133-A136 PolarHBondContact O-N 3.4Å; I133-A136 VanDerWaalsContact O-N 3.16Å; I133-T137 PolarHBondContact O-N 3.41Å; I133-T137 PolarHBondContact O-OG1 2.87Å; I133-I141 HydrophobicContact CB-CD1 4.25Å; I133-I141 HydrophobicContact CG2-CD1 3.8Å; I133-A160 HydrophobicContact CG2-CB 4.29Å; I133-A163 HydrophobicContact CD1-CB 4.46Å; I133-I164 HydrophobicContact CD1-CG1 4.41Å; I133-L167 HydrophobicContact CD1-CD1 3.68Å; I133-I180 HydrophobicContact CB-CD1 4.48Å; I133-I180 HydrophobicContact CG1-CD1 3.8Å; I133-I180 HydrophobicContact CG2-CD1 4.4Å
134E94.3Very high94Very high19 Ų1958.8 Ų58.89%0.08930%0.296CS..Hα-helixtrans-50.9-49.7178.2-75.5178.4138.800112.1R130 M131 R138 T139 I141R130-E134 HydrophobicContact CG-CG 4.32Å; R130-E134 IonicContact NE-OE2 2.7Å; R130-E134 WeakPolarHBondContact O-CB 3.36Å; R130-E134 WeakPolarHBondContact O-CG 3.33Å; R130-E134 PolarHBondContact O-N 3.39Å; M131-E134 PolarHBondContact O-N 2.93Å; E134-R138 CarbonylContact O-C 3.01Å; E134-R138 WeakPolarHBondContact O-CA 3.49Å; E134-R138 PolarHBondContact O-N 2.88Å; E134-T139 WeakPolarHBondContact CA-O 3.16Å; E134-T139 VanDerWaalsContact CB-O 3.23Å; E134-T139 WeakPolarHBondContact CB-O 3.46Å; E134-T139 WeakPolarHBondContact CG-O 3.2Å; E134-T139 PolarHBondContact O-N 3.23Å; E134-I141 HydrophobicContact CG-CB 3.96Å; E134-I141 HydrophobicContact CG-CD1 3.86Å; E134-I141 HydrophobicContact CG-CG1 3.78Å; E134-I141 PolarHBondContact OE1-N 2.72Å
135N93.3Very high93.9Very high112 Ų11264.5 Ų64.560%0.59932%0.322SS*.Hα-helixtrans-68.7-39.8-178.9-69.5-20000112.2M131 I133M131-N135 WeakPolarHBondContact O-CB 3.39Å; M131-N135 PolarHBondContact O-N 3.35Å; M131-N135 PolarHBondContact O-ND2 3.23Å; I133-N135 VanDerWaalsContact C-N 3.32Å; I133-N135 PolarHBondContact O-N 3.2Å
136A92.9Very high93.8Very high38 Ų3865.7 Ų65.731%0.31432%0.318SS..Hα-helixtrans-71-38.5-178.500000112.5C132 I133 I180C132-A136 WeakPolarHBondContact O-CB 3.33Å; C132-A136 PolarHBondContact O-N 3.27Å; I133-A136 PolarHBondContact O-N 3.4Å; I133-A136 VanDerWaalsContact O-N 3.16Å; A136-I180 HydrophobicContact CB-CG2 3.49Å; A136-I180 VanDerWaalsContact CB-CG2 3.49Å
137T92.6Very high93.8Very high4 Ų457.3 Ų57.33%0.02528%0.284CS..Hα-helixtrans-90.2-8.8177.651.70000113.2I133 T139 R156 V159 A160 I180I133-T137 PolarHBondContact O-N 3.41Å; I133-T137 PolarHBondContact O-OG1 2.87Å; T137-T139 VanDerWaalsContact C-N 3.3Å; T137-T139 PolarHBondContact OG1-OG1 3.36Å; T137-R156 WeakPolarHBondContact O-CB 3.29Å; T137-R156 VanDerWaalsContact O-CD 3.26Å; T137-R156 WeakPolarHBondContact O-CD 3.33Å; T137-R156 WeakPolarHBondContact O-CG 3.4Å; T137-R156 PolarHBondContact O-NH1 3.4Å; T137-R156 VanDerWaalsContact O-NH1 3.14Å; T137-V159 HydrophobicContact CG2-CB 4.32Å; T137-V159 HydrophobicContact CG2-CG1 3.9Å; T137-A160 HydrophobicContact CG2-CB 4.16Å; T137-I180 HydrophobicContact CG2-CG2 4.12Å
138R92.2Very high94Very high155 Ų15556.8 Ų56.859%0.58528%0.278SS*.THydrogen-bonded Turntrans53.847.2-169.2-47.3-178.7-155.21690.4111.5E134 D188E134-R138 CarbonylContact O-C 3.01Å; E134-R138 WeakPolarHBondContact O-CA 3.49Å; E134-R138 PolarHBondContact O-N 2.88Å; R138-D188 IonicContact CZ-OD1 3.09Å; R138-D188 IonicContact CZ-OD2 3.55Å; R138-D188 IonicContact NH2-OD1 2.85Å; R138-D188 PolarHBondContact NH2-OD1 3.37Å; R138-D188 VanDerWaalsContact NH2-OD1 3.09Å; R138-D188 IonicContact NH2-OD2 2.85Å; R138-D188 PolarHBondContact NH2-OD2 2.95Å
139T95.2Very high94.2Very high3 Ų349.5 Ų49.52%0.01825%0.252CS..  trans-120166.5176.758.20000110.1E134 T137 I150 L151 R156 A160E134-T139 WeakPolarHBondContact CA-O 3.16Å; E134-T139 VanDerWaalsContact CB-O 3.23Å; E134-T139 WeakPolarHBondContact CB-O 3.46Å; E134-T139 WeakPolarHBondContact CG-O 3.2Å; E134-T139 PolarHBondContact O-N 3.23Å; T137-T139 VanDerWaalsContact C-N 3.3Å; T137-T139 PolarHBondContact OG1-OG1 3.36Å; T139-I150 HydrophobicContact CG2-CG2 4.33Å; T139-L151 CarbonylContact C-O 3.55Å; T139-L151 VanDerWaalsContact CA-O 3.32Å; T139-L151 WeakPolarHBondContact CA-O 3.24Å; T139-L151 VanDerWaalsContact CB-O 3.29Å; T139-L151 WeakPolarHBondContact CB-O 3.37Å; T139-R156 HydrophobicContact CG2-CB 3.87Å; T139-A160 HydrophobicContact CG2-CB 4.44Å
140R96.1Very high94.3Very high100 Ų10048.4 Ų48.438%0.37725%0.246SC..EExtended strand (participates in β ladder)trans-114.5137.1170.3-63-65.1-170.6-148.5-4.7109.4F82 D86 I150 L151F82-R140 HydrophobicContact CD1-CB 4.01Å; F82-R140 HydrophobicContact CE1-CB 3.81Å; F82-R140 WeakPolarHBondContact CE1-O 3.41Å; D86-R140 HydrophobicContact CB-CG 4.09Å; D86-R140 WeakPolarHBondContact OD1-CD 3.25Å; D86-R140 WeakPolarHBondContact OD1-CG 3.27Å; D86-R140 IonicContact OD1-CZ 3.84Å; D86-R140 IonicContact OD1-NE 2.84Å; D86-R140 PolarHBondContact OD1-NE 3.06Å; D86-R140 IonicContact OD1-NH2 3.78Å; D86-R140 IonicContact OD2-NE 3.95Å; R140-I150 CarbonylContact O-C 3.57Å; R140-I150 WeakPolarHBondContact O-CA 3.28Å; R140-L151 HydrophobicContact CB-CB 4.32Å; R140-L151 HydrophobicContact CB-CD2 4.49Å; R140-L151 PolarHBondContact N-O 3.2Å; R140-L151 PolarHBondContact O-N 3.49Å
141I96.8Very high94.4Very high4 Ų445.5 Ų45.52%0.02124%0.236CC..EExtended strand (participates in β ladder)trans-127.3121.9-174-58170.8000109.1R130 I133 E134 V143 I148 H149 I150 I164R130-I141 WeakPolarHBondContact CD-O 3.44Å; R130-I141 HydrophobicContact CG-CB 3.96Å; R130-I141 HydrophobicContact CG-CG2 4.11Å; I133-I141 HydrophobicContact CB-CD1 4.25Å; I133-I141 HydrophobicContact CG2-CD1 3.8Å; E134-I141 HydrophobicContact CG-CB 3.96Å; E134-I141 HydrophobicContact CG-CD1 3.86Å; E134-I141 HydrophobicContact CG-CG1 3.78Å; E134-I141 PolarHBondContact OE1-N 2.72Å; I141-V143 HydrophobicContact CG2-CG2 4.29Å; I141-I148 HydrophobicContact CG2-CG2 3.91Å; I141-H149 CarbonylContact C-O 3.6Å; I141-H149 VanDerWaalsContact CA-O 3.32Å; I141-H149 WeakPolarHBondContact CA-O 3.32Å; I141-I150 HydrophobicContact CG1-CG1 4.39Å; I141-I150 HydrophobicContact CG1-CG2 4.3Å; I141-I164 HydrophobicContact CD1-CD1 3.92Å; I141-I164 HydrophobicContact CG2-CD1 4.25Å
142V95.8Very high94.4Very high26 Ų2641.2 Ų41.216%0.15822%0.216CC..EExtended strand (participates in β ladder)trans-108.6131169.9175.70000108.1F82 H149F82-V142 HydrophobicContact CD1-CG2 3.55Å; F82-V142 HydrophobicContact CD2-CG2 4.38Å; F82-V142 HydrophobicContact CE1-CB 4.34Å; F82-V142 HydrophobicContact CE1-CG2 3.62Å; F82-V142 HydrophobicContact CE2-CG2 4.46Å; F82-V142 HydrophobicContact CG-CG2 3.94Å; F82-V142 HydrophobicContact CZ-CB 4.4Å; F82-V142 HydrophobicContact CZ-CG2 4.09Å; V142-H149 HydrophobicContact CB-CB 4.27Å; V142-H149 PolarHBondContact N-O 2.89Å; V142-H149 PolarHBondContact O-N 3.35Å
143V94.9Very high94.4Very high32 Ų3240.8 Ų40.819%0.19421%0.213CC..EExtended strand (participates in β ladder)trans-108.3116.4175.7-176.90000106.7V119 I122 I141V119-V143 HydrophobicContact CG1-CG1 4.05Å; I122-V143 HydrophobicContact CG2-CG2 4.11Å; I141-V143 HydrophobicContact CG2-CG2 4.29Å
144A93.2Very high94.4Very high39 Ų3945.4 Ų45.432%0.32224%0.238SC..EExtended strand (participates in β ladder)trans-120.783.6-178.900000108.6E146 T147A144-E146 PolarHBondContact O-N 3.43Å; A144-T147 CarbonylContact C-O 3.57Å; A144-T147 WeakPolarHBondContact CA-O 3.5Å; A144-T147 PolarHBondContact N-O 3.19Å; A144-T147 PolarHBondContact O-N 3.46Å
145D90Very high94.3Very high140 Ų14049.2 Ų49.275%0.74926%0.259SS*.THydrogen-bonded Turntrans53.2-98.3-174.3-54.8-38.3000112.1V119V119-D145 VanDerWaalsContact CG2-O 3.29Å; V119-D145 WeakPolarHBondContact CG2-O 3.38Å
146E91.4Very high94.3Very high82 Ų8245.4 Ų45.438%0.38324%0.236SC..THydrogen-bonded Turntrans-94.9-13.8-178.7-58.7-178.3169.700113.6I103 M115 A144I103-E146 WeakPolarHBondContact CG1-O 3.32Å; I103-E146 PolarHBondContact N-O 2.8Å; M115-E146 HydrophobicContact CG-CG 4.3Å; M115-E146 HydrophobicContact SD-CG 4.47Å; A144-E146 PolarHBondContact O-N 3.43Å
147T94.2Very high94.4Very high29 Ų2943.8 Ų43.818%0.17822%0.222CC..EExtended strand (participates in β ladder)trans-102.7133.1-178.5-46.80000110.3H102 A144 H149H102-T147 PolarHBondContact CE1-OG1 3.28Å; H102-T147 PolarHBondContact ND1-OG1 2.89Å; H102-T147 PolarHBondContact NE2-OG1 3.48Å; A144-T147 CarbonylContact C-O 3.57Å; A144-T147 WeakPolarHBondContact CA-O 3.5Å; A144-T147 PolarHBondContact N-O 3.19Å; A144-T147 PolarHBondContact O-N 3.46Å; T147-H149 WeakPolarHBondContact CG2-CE1 3.31Å
148I96Very high94.5Very high0 Ų046.4 Ų46.40%024%0.244CC..EExtended strand (participates in β ladder)trans-113.6129.9176.9-54.5175.7000107.8S100 F101 I103 I122 I141 I150 I164 I168S100-I148 WeakPolarHBondContact CA-O 3.41Å; F101-I148 HydrophobicContact CD1-CB 4.39Å; F101-I148 HydrophobicContact CE1-CB 3.84Å; F101-I148 HydrophobicContact CE1-CG2 3.91Å; F101-I148 HydrophobicContact CE2-CB 4.27Å; F101-I148 HydrophobicContact CE2-CD1 3.93Å; F101-I148 HydrophobicContact CZ-CB 3.79Å; F101-I148 HydrophobicContact CZ-CD1 3.81Å; F101-I148 HydrophobicContact CZ-CG1 4.34Å; F101-I148 HydrophobicContact CZ-CG2 3.96Å; F101-I148 PolarHBondContact N-O 2.94Å; F101-I148 PolarHBondContact O-N 3.37Å; I103-I148 HydrophobicContact CD1-CD1 4.18Å; I103-I148 HydrophobicContact CD1-CG1 4.45Å; I103-I148 HydrophobicContact CG1-CD1 3.79Å; I103-I148 HydrophobicContact CG1-CG1 4.17Å; I122-I148 HydrophobicContact CD1-CD1 3.5Å; I122-I148 VanDerWaalsContact CD1-CD1 3.5Å; I141-I148 HydrophobicContact CG2-CG2 3.91Å; I148-I150 HydrophobicContact CG2-CG1 4.34Å; I148-I164 HydrophobicContact CD1-CG2 3.6Å; I148-I164 HydrophobicContact CG2-CD1 4.06Å; I148-I168 HydrophobicContact CD1-CD1 4.36Å
149H96.9Very high94.6Very high20 Ų2040.1 Ų40.19%0.09322%0.223CC..EExtended strand (participates in β ladder)trans-111.4129.8175.1-52.9-57000109.1K80 F82 N99 S100 I141 V142 T147K80-H149 PolarHBondContact O-CD2 3.15Å; F82-H149 HydrophobicContact CE2-CB 3.72Å; F82-H149 HydrophobicContact CZ-CB 3.76Å; N99-H149 CarbonylContact O-C 3.56Å; N99-H149 WeakPolarHBondContact O-CA 3.22Å; S100-H149 WeakPolarHBondContact CB-ND1 3.3Å; S100-H149 PolarHBondContact OG-CE1 3.43Å; S100-H149 PolarHBondContact OG-ND1 2.84Å; I141-H149 CarbonylContact C-O 3.6Å; I141-H149 VanDerWaalsContact CA-O 3.32Å; I141-H149 WeakPolarHBondContact CA-O 3.32Å; V142-H149 HydrophobicContact CB-CB 4.27Å; V142-H149 PolarHBondContact N-O 2.89Å; V142-H149 PolarHBondContact O-N 3.35Å; T147-H149 WeakPolarHBondContact CG2-CE1 3.31Å
150I97.1Very high94.6Very high0 Ų040 Ų400%022%0.222CC..EExtended strand (participates in β ladder)trans-120.4130.2175.9-49.7178.7000108.2V98 N99 F101 T139 R140 I141 I148 I157 A160 R161 I164V98-I150 CarbonylContact C-O 3.55Å; V98-I150 WeakPolarHBondContact CA-O 3.48Å; N99-I150 PolarHBondContact N-O 3.45Å; N99-I150 PolarHBondContact O-N 3.06Å; F101-I150 HydrophobicContact CE1-CD1 3.79Å; F101-I150 HydrophobicContact CE1-CG1 4.19Å; T139-I150 HydrophobicContact CG2-CG2 4.33Å; R140-I150 CarbonylContact O-C 3.57Å; R140-I150 WeakPolarHBondContact O-CA 3.28Å; I141-I150 HydrophobicContact CG1-CG1 4.39Å; I141-I150 HydrophobicContact CG1-CG2 4.3Å; I148-I150 HydrophobicContact CG2-CG1 4.34Å; I150-I157 HydrophobicContact CB-CG2 4.46Å; I150-I157 HydrophobicContact CG2-CB 4.48Å; I150-I157 HydrophobicContact CG2-CG1 3.96Å; I150-I157 HydrophobicContact CG2-CG2 4.4Å; I150-A160 HydrophobicContact CD1-CB 4.21Å; I150-A160 HydrophobicContact CG2-CB 4.25Å; I150-R161 HydrophobicContact CD1-CB 4.08Å; I150-I164 HydrophobicContact CD1-CD1 3.8Å; I150-I164 HydrophobicContact CG1-CD1 4.3Å
151L96.2Very high94.5Very high8 Ų840 Ų404%0.04222%0.222CC..EExtended strand (participates in β ladder)trans-114.3131.6174.9179.1156.4000109.6A77 F82 V90 I96 Y97 V98 T139 R140A77-L151 HydrophobicContact CB-CD1 4.36Å; F82-L151 HydrophobicContact CD1-CB 4.13Å; F82-L151 HydrophobicContact CD1-CD1 4.22Å; F82-L151 HydrophobicContact CD2-CD1 4.24Å; F82-L151 HydrophobicContact CE1-CB 3.56Å; F82-L151 HydrophobicContact CE1-CD1 4.45Å; F82-L151 HydrophobicContact CE2-CB 4.08Å; F82-L151 HydrophobicContact CE2-CD1 4.47Å; F82-L151 HydrophobicContact CG-CD1 4.13Å; F82-L151 HydrophobicContact CZ-CB 3.53Å; V90-L151 HydrophobicContact CG2-CD1 3.78Å; V90-L151 HydrophobicContact CG2-CG 4.41Å; I96-L151 HydrophobicContact CG2-CD2 3.67Å; I96-L151 HydrophobicContact CG2-CG 3.92Å; Y97-L151 WeakPolarHBondContact O-CA 3.45Å; V98-L151 HydrophobicContact CG2-CB 4.3Å; V98-L151 HydrophobicContact CG2-CD1 3.95Å; V98-L151 HydrophobicContact CG2-CG 4.17Å; T139-L151 CarbonylContact C-O 3.55Å; T139-L151 VanDerWaalsContact CA-O 3.32Å; T139-L151 WeakPolarHBondContact CA-O 3.24Å; T139-L151 VanDerWaalsContact CB-O 3.29Å; T139-L151 WeakPolarHBondContact CB-O 3.37Å; R140-L151 HydrophobicContact CB-CB 4.32Å; R140-L151 HydrophobicContact CB-CD2 4.49Å; R140-L151 PolarHBondContact N-O 3.2Å; R140-L151 PolarHBondContact O-N 3.49Å
152G95.5Very high94.4Very high3 Ų348 Ų483%0.03125%0.252CS..EExtended strand (participates in β ladder)trans162.1-169.1178.700000113.7Y97 I157Y97-G152 PolarHBondContact N-O 3.43Å; Y97-G152 PolarHBondContact O-N 3.13Å; G152-I157 WeakPolarHBondContact O-CD1 3.33Å
153S93.6Very high94.3Very high42 Ų4247 Ų4729%0.29425%0.246SC..EExtended strand (participates in β ladder)trans-70.7149.9171175.10000111.2G95 D155 R156 I157G95-S153 WeakPolarHBondContact O-CA 3.45Å; S153-D155 VanDerWaalsContact C-N 3.32Å; S153-D155 PolarHBondContact O-N 3.44Å; S153-R156 PolarHBondContact O-N 2.92Å; S153-R156 VanDerWaalsContact O-N 3.11Å; S153-I157 WeakPolarHBondContact O-CB 3.5Å; S153-I157 VanDerWaalsContact O-CG1 3.29Å; S153-I157 WeakPolarHBondContact O-CG1 3.36Å; S153-I157 PolarHBondContact O-N 3.34Å
154N93.2Very high94.4Very high97 Ų9745.5 Ų45.552%0.51924%0.237SC..Hα-helixtrans-56.8-42.9-172.5-158.927.1000112.7Y97 R156 I157 A158Y97-N154 HydrophobicContact CD2-CB 4.23Å; Y97-N154 HydrophobicContact CE2-CB 4.5Å; N154-R156 PolarHBondContact O-N 3.43Å; N154-I157 PolarHBondContact O-N 3.29Å; N154-A158 PolarHBondContact O-N 3.39Å
155D93Very high94.4Very high100 Ų10044.6 Ų44.654%0.53523%0.228SC..Hα-helixtrans-66.4-41.7179-56.9-40.5000111.9S153 A158 V159 L187S153-D155 VanDerWaalsContact C-N 3.32Å; S153-D155 PolarHBondContact O-N 3.44Å; D155-A158 WeakPolarHBondContact O-CB 3.31Å; D155-A158 PolarHBondContact O-N 3.33Å; D155-V159 PolarHBondContact O-N 2.85Å; D155-V159 VanDerWaalsContact O-N 3.17Å; D155-L187 HydrophobicContact CB-CD2 3.92Å
156R93.4Very high94.6Very high32 Ų3239.2 Ų39.212%0.12120%0.199CC..Hα-helixtrans-69-37.6178-68.3172.9178.8-96.7-2.9111.3T137 T139 S153 N154 A158 V159 A160 L187 D188T137-R156 WeakPolarHBondContact O-CB 3.29Å; T137-R156 VanDerWaalsContact O-CD 3.26Å; T137-R156 WeakPolarHBondContact O-CD 3.33Å; T137-R156 WeakPolarHBondContact O-CG 3.4Å; T137-R156 PolarHBondContact O-NH1 3.4Å; T137-R156 VanDerWaalsContact O-NH1 3.14Å; T139-R156 HydrophobicContact CG2-CB 3.87Å; S153-R156 PolarHBondContact O-N 2.92Å; S153-R156 VanDerWaalsContact O-N 3.11Å; N154-R156 PolarHBondContact O-N 3.43Å; R156-A158 VanDerWaalsContact C-N 3.34Å; R156-V159 PolarHBondContact O-N 3.06Å; R156-A160 WeakPolarHBondContact O-CB 3.26Å; R156-A160 PolarHBondContact O-N 3.49Å; R156-L187 HydrophobicContact CG-CD1 4.3Å; R156-D188 IonicContact CZ-OD1 3.81Å; R156-D188 IonicContact NH1-OD1 3.79Å; R156-D188 IonicContact NH2-OD1 3.88Å; R156-D188 PolarHBondContact NH2-OD1 3.23Å
157I95.1Very high94.7Very high4 Ų435.3 Ų35.32%0.02118%0.181CC..Hα-helixtrans-60.9-44.2172.2-72.1170.8000110Y97 N99 I150 G152 S153 N154 V159 A160 R161Y97-I157 WeakPolarHBondContact O-CD1 3.34Å; N99-I157 HydrophobicContact CB-CD1 4.41Å; N99-I157 HydrophobicContact CB-CG2 3.64Å; I150-I157 HydrophobicContact CB-CG2 4.46Å; I150-I157 HydrophobicContact CG2-CB 4.48Å; I150-I157 HydrophobicContact CG2-CG1 3.96Å; I150-I157 HydrophobicContact CG2-CG2 4.4Å; G152-I157 WeakPolarHBondContact O-CD1 3.33Å; S153-I157 WeakPolarHBondContact O-CB 3.5Å; S153-I157 VanDerWaalsContact O-CG1 3.29Å; S153-I157 WeakPolarHBondContact O-CG1 3.36Å; S153-I157 PolarHBondContact O-N 3.34Å; N154-I157 PolarHBondContact O-N 3.29Å; I157-V159 VanDerWaalsContact C-N 3.34Å; I157-V159 PolarHBondContact O-N 3.33Å; I157-A160 PolarHBondContact O-N 3.13Å; I157-R161 VanDerWaalsContact O-CB 3.25Å; I157-R161 WeakPolarHBondContact O-CB 3.46Å; I157-R161 PolarHBondContact O-N 2.88Å
158A94Very high94.7Very high59 Ų5934.2 Ų34.249%0.48817%0.174SC..Hα-helixtrans-61-42.6179.900000111.9N154 D155 R156 R162N154-A158 PolarHBondContact O-N 3.39Å; D155-A158 WeakPolarHBondContact O-CB 3.31Å; D155-A158 PolarHBondContact O-N 3.33Å; R156-A158 VanDerWaalsContact C-N 3.34Å; A158-R162 WeakPolarHBondContact O-CB 3.14Å; A158-R162 PolarHBondContact O-N 3.18Å
159V94.2Very high94.5Very high22 Ų2238.9 Ų38.913%0.13320%0.199CC..Hα-helixtrans-65.2-46.8175.4177.40000111.4T137 D155 R156 I157 R161 R162 A163 H183 L187T137-V159 HydrophobicContact CG2-CB 4.32Å; T137-V159 HydrophobicContact CG2-CG1 3.9Å; D155-V159 PolarHBondContact O-N 2.85Å; D155-V159 VanDerWaalsContact O-N 3.17Å; R156-V159 PolarHBondContact O-N 3.06Å; I157-V159 VanDerWaalsContact C-N 3.34Å; I157-V159 PolarHBondContact O-N 3.33Å; V159-R161 PolarHBondContact O-N 3.25Å; V159-R162 PolarHBondContact O-N 2.85Å; V159-A163 PolarHBondContact O-N 2.83Å; V159-H183 HydrophobicContact CG1-CB 3.84Å; V159-H183 HydrophobicContact CG2-CB 4.2Å; V159-L187 HydrophobicContact CB-CD1 4.49Å; V159-L187 HydrophobicContact CG2-CD1 3.68Å
160A95.3Very high94.3Very high0 Ų039.6 Ų39.60%021%0.211CC..Hα-helixtrans-61.4-44177.800000111.8I133 T137 T139 I150 R156 I157 R162 A163 I164I133-A160 HydrophobicContact CG2-CB 4.29Å; T137-A160 HydrophobicContact CG2-CB 4.16Å; T139-A160 HydrophobicContact CG2-CB 4.44Å; I150-A160 HydrophobicContact CD1-CB 4.21Å; I150-A160 HydrophobicContact CG2-CB 4.25Å; R156-A160 WeakPolarHBondContact O-CB 3.26Å; R156-A160 PolarHBondContact O-N 3.49Å; I157-A160 PolarHBondContact O-N 3.13Å; A160-R162 PolarHBondContact O-N 3.05Å; A160-A163 PolarHBondContact O-N 3.43Å; A160-I164 VanDerWaalsContact O-CG1 3.32Å; A160-I164 WeakPolarHBondContact O-CG1 3.45Å; A160-I164 PolarHBondContact O-N 3.41Å
161R94.9Very high94.1Very high100 Ų10040.6 Ų40.638%0.37722%0.219SC..Hα-helixtrans-59.9-46176.5-173.7175-172.8-1040.2110.9F101 I150 I157 V159 A163 I164 C165F101-R161 HydrophobicContact CD1-CG 4.34Å; F101-R161 HydrophobicContact CE1-CG 4.11Å; F101-R161 HydrophobicContact CZ-CG 4.38Å; I150-R161 HydrophobicContact CD1-CB 4.08Å; I157-R161 VanDerWaalsContact O-CB 3.25Å; I157-R161 WeakPolarHBondContact O-CB 3.46Å; I157-R161 PolarHBondContact O-N 2.88Å; V159-R161 PolarHBondContact O-N 3.25Å; R161-A163 VanDerWaalsContact C-N 3.33Å; R161-A163 PolarHBondContact O-N 3.01Å; R161-I164 PolarHBondContact O-N 3.06Å; R161-C165 PolarHBondContact O-N 3.23Å; R161-C165 PolarHBondContact O-SG 3.12Å
162R94.2Very high93.9Very high173 Ų17343.7 Ų43.765%0.65324%0.24SC*.Hα-helixtrans-61-42.3177.8-167.1174.2-170.8114.71.1112A158 V159 A160 C165 D166A158-R162 WeakPolarHBondContact O-CB 3.14Å; A158-R162 PolarHBondContact O-N 3.18Å; V159-R162 PolarHBondContact O-N 2.85Å; A160-R162 PolarHBondContact O-N 3.05Å; R162-C165 PolarHBondContact O-N 3.37Å; R162-D166 PolarHBondContact O-N 3.46Å
163A94.6Very high93.7Very high5 Ų545.6 Ų45.64%0.04125%0.252CS..Hα-helixtrans-62.8-41.6175.900000112.7I133 V159 A160 R161 D166 L167 I176 I180I133-A163 HydrophobicContact CD1-CB 4.46Å; V159-A163 PolarHBondContact O-N 2.83Å; A160-A163 PolarHBondContact O-N 3.43Å; R161-A163 VanDerWaalsContact C-N 3.33Å; R161-A163 PolarHBondContact O-N 3.01Å; A163-D166 PolarHBondContact O-N 3.18Å; A163-L167 PolarHBondContact O-N 3.31Å; A163-L167 VanDerWaalsContact O-N 3.1Å; A163-I176 HydrophobicContact CB-CG2 3.82Å; A163-I180 HydrophobicContact CB-CD1 3.66Å; A163-I180 HydrophobicContact CB-CG1 3.82Å
164I95.2Very high93.6Very high1 Ų150.1 Ų50.11%0.00527%0.273CS..Hα-helixtrans-67-41.2176.1-65.4171.8000110.9F101 I122 I133 I141 I148 I150 A160 R161 D166 L167 I168F101-I164 HydrophobicContact CE2-CG2 4.23Å; F101-I164 HydrophobicContact CZ-CB 4.22Å; F101-I164 HydrophobicContact CZ-CD1 4.42Å; F101-I164 HydrophobicContact CZ-CG2 3.7Å; I122-I164 HydrophobicContact CD1-CG2 4.16Å; I122-I164 HydrophobicContact CG1-CG2 4.12Å; I122-I164 HydrophobicContact CG2-CG2 4.43Å; I133-I164 HydrophobicContact CD1-CG1 4.41Å; I141-I164 HydrophobicContact CD1-CD1 3.92Å; I141-I164 HydrophobicContact CG2-CD1 4.25Å; I148-I164 HydrophobicContact CD1-CG2 3.6Å; I148-I164 HydrophobicContact CG2-CD1 4.06Å; I150-I164 HydrophobicContact CD1-CD1 3.8Å; I150-I164 HydrophobicContact CG1-CD1 4.3Å; A160-I164 VanDerWaalsContact O-CG1 3.32Å; A160-I164 WeakPolarHBondContact O-CG1 3.45Å; A160-I164 PolarHBondContact O-N 3.41Å; R161-I164 PolarHBondContact O-N 3.06Å; I164-D166 VanDerWaalsContact C-N 3.35Å; I164-D166 PolarHBondContact O-N 3.42Å; I164-L167 WeakPolarHBondContact O-CB 3.37Å; I164-L167 PolarHBondContact O-N 2.99Å; I164-I168 HydrophobicContact CG2-CD1 3.85Å; I164-I168 HydrophobicContact CG2-CG1 4.41Å; I164-I168 VanDerWaalsContact O-CG1 3.29Å; I164-I168 WeakPolarHBondContact O-CG1 3.45Å; I164-I168 PolarHBondContact O-N 3.31Å
165C94.3Very high93.6Very high19 Ų1951.7 Ų51.713%0.12828%0.275CS..Hα-helixtrans-59.8-44.4174.2-67.10000111.7V106 R161 R162 L167 I168 L169V106-C165 HydrophobicContact CG1-CB 4.01Å; V106-C165 VanDerWaalsContact CG2-SG 3.58Å; R161-C165 PolarHBondContact O-N 3.23Å; R161-C165 PolarHBondContact O-SG 3.12Å; R162-C165 PolarHBondContact O-N 3.37Å; C165-L167 VanDerWaalsContact C-N 3.29Å; C165-L167 PolarHBondContact O-N 2.85Å; C165-I168 PolarHBondContact O-N 3.47Å; C165-L169 WeakPolarHBondContact O-CB 3.35Å; C165-L169 VanDerWaalsContact O-CG 3.27Å; C165-L169 WeakPolarHBondContact O-CG 3.46Å; C165-L169 PolarHBondContact O-N 3.4Å
166D94.4Very high93.5Very high27 Ų2747.1 Ų47.114%0.14425%0.25CS..Hα-helixtrans-59.5-39.5175.8-82.92.1000111.4R162 A163 I164 L169 G170 A171 I176 K179R162-D166 PolarHBondContact O-N 3.46Å; A163-D166 PolarHBondContact O-N 3.18Å; I164-D166 VanDerWaalsContact C-N 3.35Å; I164-D166 PolarHBondContact O-N 3.42Å; D166-L169 PolarHBondContact O-N 3.38Å; D166-G170 PolarHBondContact O-N 3.44Å; D166-A171 HydrophobicContact CB-CB 4.1Å; D166-A171 VanDerWaalsContact O-CB 3.22Å; D166-A171 WeakPolarHBondContact O-CB 3.42Å; D166-A171 PolarHBondContact O-N 3.35Å; D166-I176 HydrophobicContact CB-CD1 4.3Å; D166-I176 HydrophobicContact CB-CG1 3.99Å; D166-K179 IonicContact OD2-NZ 2.59Å; D166-K179 PolarHBondContact OD2-NZ 3.46Å
167L93.7Very high93.4Very high0 Ų048.6 Ų48.60%026%0.258CS..Hα-helixtrans-63.1-44.7174.6-77168.9000112.4R121 I129 I133 A163 I164 C165 L169 G170 P173 I176R121-L167 PolarHBondContact NE-O 2.85Å; I129-L167 HydrophobicContact CG2-CD1 3.72Å; I129-L167 HydrophobicContact CG2-CD2 4.45Å; I133-L167 HydrophobicContact CD1-CD1 3.68Å; A163-L167 PolarHBondContact O-N 3.31Å; A163-L167 VanDerWaalsContact O-N 3.1Å; I164-L167 WeakPolarHBondContact O-CB 3.37Å; I164-L167 PolarHBondContact O-N 2.99Å; C165-L167 VanDerWaalsContact C-N 3.29Å; C165-L167 PolarHBondContact O-N 2.85Å; L167-L169 VanDerWaalsContact C-N 3.35Å; L167-G170 PolarHBondContact O-N 3.35Å; L167-P173 HydrophobicContact CD2-CG 4.42Å; L167-I176 HydrophobicContact CB-CD1 4.33Å; L167-I176 HydrophobicContact CD2-CD1 3.25Å; L167-I176 HydrophobicContact CG-CD1 3.43Å; L167-I176 VanDerWaalsContact CG-CD1 3.43Å
168I93.3Very high93.1Very high7 Ų750.2 Ų50.24%0.03628%0.276CS..Hα-helixtrans-63.5-42178.2-66.8164.1000110.6F101 I103 V106 K107 L110 I122 I148 I164 C165 G170F101-I168 HydrophobicContact CE2-CD1 4.27Å; I103-I168 HydrophobicContact CB-CD1 4.48Å; I103-I168 HydrophobicContact CG1-CD1 4.15Å; I103-I168 HydrophobicContact CG2-CD1 4.14Å; I103-I168 HydrophobicContact CG2-CG1 4.29Å; I103-I168 HydrophobicContact CG2-CG2 3.9Å; V106-I168 HydrophobicContact CB-CD1 4.42Å; V106-I168 HydrophobicContact CB-CG2 4.19Å; V106-I168 HydrophobicContact CG1-CB 4.31Å; V106-I168 HydrophobicContact CG1-CG2 4.06Å; V106-I168 HydrophobicContact CG2-CD1 4.14Å; K107-I168 HydrophobicContact CB-CG2 4.34Å; L110-I168 HydrophobicContact CD1-CG2 3.58Å; I122-I168 HydrophobicContact CD1-CD1 4.11Å; I122-I168 HydrophobicContact CD1-CG1 3.76Å; I122-I168 HydrophobicContact CG1-CG1 4.24Å; I148-I168 HydrophobicContact CD1-CD1 4.36Å; I164-I168 HydrophobicContact CG2-CD1 3.85Å; I164-I168 HydrophobicContact CG2-CG1 4.41Å; I164-I168 VanDerWaalsContact O-CG1 3.29Å; I164-I168 WeakPolarHBondContact O-CG1 3.45Å; I164-I168 PolarHBondContact O-N 3.31Å; C165-I168 PolarHBondContact O-N 3.47Å; I168-G170 PolarHBondContact O-N 3.07Å
169L93Very high92.9Very high98 Ų9851.2 Ų51.251%0.51327%0.269SS..Hα-helixtrans-68.7-22-179.7-72172.9000113.2V106 C165 D166 L167V106-L169 HydrophobicContact CG1-CD2 4.27Å; V106-L169 HydrophobicContact CG1-CG 4.18Å; C165-L169 WeakPolarHBondContact O-CB 3.35Å; C165-L169 VanDerWaalsContact O-CG 3.27Å; C165-L169 WeakPolarHBondContact O-CG 3.46Å; C165-L169 PolarHBondContact O-N 3.4Å; D166-L169 PolarHBondContact O-N 3.38Å; L167-L169 VanDerWaalsContact C-N 3.35Å
170G91.5Very high92.7Very high34 Ų3450.5 Ų50.535%0.35126%0.264SS..THydrogen-bonded Turntrans121.47.7172.400000115.1R121 D166 L167 I168R121-G170 VanDerWaalsContact NH1-CA 3.27Å; R121-G170 PolarHBondContact NH1-O 3.27Å; R121-G170 PolarHBondContact NH2-O 2.92Å; D166-G170 PolarHBondContact O-N 3.44Å; L167-G170 PolarHBondContact O-N 3.35Å; I168-G170 PolarHBondContact O-N 3.07Å
171A93Very high92.3Very high21 Ų2160.2 Ų60.217%0.17430%0.301CS..  trans-66.4139.9-178.600000112.3R121 D166 I176R121-A171 VanDerWaalsContact NH2-C 3.3Å; R121-A171 PolarHBondContact NH2-O 3.16Å; D166-A171 HydrophobicContact CB-CB 4.1Å; D166-A171 VanDerWaalsContact O-CB 3.22Å; D166-A171 WeakPolarHBondContact O-CB 3.42Å; D166-A171 PolarHBondContact O-N 3.35Å; A171-I176 HydrophobicContact CB-CD1 3.9Å; A171-I176 HydrophobicContact CB-CG1 4.12Å
172P93Very high92.1Very high74 Ų7458.9 Ų58.948%0.48130%0.304SS..  trans-66.7140.1178.926.4-32.8000110.9N174 K175 I176P172-N174 VanDerWaalsContact C-N 3.28Å; P172-N174 PolarHBondContact O-N 3.18Å; P172-K175 HydrophobicContact CG-CB 4Å; P172-K175 WeakPolarHBondContact O-CB 3.47Å; P172-K175 PolarHBondContact O-N 2.97Å; P172-I176 PolarHBondContact O-N 3.41Å
173P91.6Very high91.8Very high42 Ų4253.8 Ų53.827%0.27329%0.288SS..Hα-helixtrans-54.1-38.7-175.7-28.535.2000114.4I129 L167 K175 I176 F177I129-P173 HydrophobicContact CD1-CB 4Å; I129-P173 HydrophobicContact CD1-CG 3.73Å; L167-P173 HydrophobicContact CD2-CG 4.42Å; P173-K175 VanDerWaalsContact C-N 3.28Å; P173-K175 PolarHBondContact O-N 2.66Å; P173-I176 WeakPolarHBondContact O-CB 3.39Å; P173-I176 PolarHBondContact O-N 2.95Å; P173-F177 HydrophobicContact CB-CE2 4.02Å; P173-F177 HydrophobicContact CB-CZ 4.43Å; P173-F177 VanDerWaalsContact O-CD2 3.3Å; P173-F177 WeakPolarHBondContact O-CD2 3.4Å; P173-F177 WeakPolarHBondContact O-CG 3.36Å; P173-F177 PolarHBondContact O-N 3.29Å
174N91.1Very high91.3Very high138 Ų13854.4 Ų54.474%0.73829%0.292SS*.Hα-helixtrans-58-40.2179.3-70-1.4000112.5P172 I176 G178P172-N174 VanDerWaalsContact C-N 3.28Å; P172-N174 PolarHBondContact O-N 3.18Å; N174-I176 VanDerWaalsContact C-N 3.3Å; N174-I176 PolarHBondContact O-N 3.16Å; N174-G178 PolarHBondContact O-N 2.75Å
175K92.1Very high90.9Very high130 Ų13057.2 Ų57.257%0.56532%0.316SS*.Hα-helixtrans-66.9-35.3178.2-173.3173.5-175.8173.70111.4P172 P173 K179P172-K175 HydrophobicContact CG-CB 4Å; P172-K175 WeakPolarHBondContact O-CB 3.47Å; P172-K175 PolarHBondContact O-N 2.97Å; P173-K175 VanDerWaalsContact C-N 3.28Å; P173-K175 PolarHBondContact O-N 2.66Å; K175-K179 WeakPolarHBondContact O-CG 3.3Å; K175-K179 PolarHBondContact O-N 3.18Å
176I91.9Very high90.6Very high3 Ų363.8 Ų63.82%0.01534%0.338CS..Hα-helixtrans-72.1-43.1-179.1-66.9149.4000110.6A163 D166 L167 A171 P172 P173 N174 G178 K179 I180A163-I176 HydrophobicContact CB-CG2 3.82Å; D166-I176 HydrophobicContact CB-CD1 4.3Å; D166-I176 HydrophobicContact CB-CG1 3.99Å; L167-I176 HydrophobicContact CB-CD1 4.33Å; L167-I176 HydrophobicContact CD2-CD1 3.25Å; L167-I176 HydrophobicContact CG-CD1 3.43Å; L167-I176 VanDerWaalsContact CG-CD1 3.43Å; A171-I176 HydrophobicContact CB-CD1 3.9Å; A171-I176 HydrophobicContact CB-CG1 4.12Å; P172-I176 PolarHBondContact O-N 3.41Å; P173-I176 WeakPolarHBondContact O-CB 3.39Å; P173-I176 PolarHBondContact O-N 2.95Å; N174-I176 VanDerWaalsContact C-N 3.3Å; N174-I176 PolarHBondContact O-N 3.16Å; I176-G178 VanDerWaalsContact C-N 3.3Å; I176-G178 PolarHBondContact O-N 3.4Å; I176-K179 PolarHBondContact O-N 2.68Å; I176-K179 VanDerWaalsContact O-N 3.15Å; I176-I180 HydrophobicContact CG2-CD1 3.7Å; I176-I180 HydrophobicContact CG2-CG1 4.16Å; I176-I180 WeakPolarHBondContact O-CG1 3.44Å; I176-I180 PolarHBondContact O-N 3.34Å
177F90.4Very high90.1Very high63 Ų6364.4 Ų64.428%0.27634%0.341SS..Hα-helixtrans-61.1-39.2177-62.2-41.4000112.7I129 C132 P173 I180 R181I129-F177 HydrophobicContact CG1-CZ 4.23Å; I129-F177 HydrophobicContact CG2-CZ 4.31Å; C132-F177 HydrophobicContact CB-CE1 3.71Å; C132-F177 HydrophobicContact CB-CZ 4.06Å; C132-F177 WeakPolarHBondContact SG-CE1 3.39Å; P173-F177 HydrophobicContact CB-CE2 4.02Å; P173-F177 HydrophobicContact CB-CZ 4.43Å; P173-F177 VanDerWaalsContact O-CD2 3.3Å; P173-F177 WeakPolarHBondContact O-CD2 3.4Å; P173-F177 WeakPolarHBondContact O-CG 3.36Å; P173-F177 PolarHBondContact O-N 3.29Å; F177-I180 HydrophobicContact CD1-CD1 4.47Å; F177-I180 PolarHBondContact O-N 2.99Å; F177-R181 WeakPolarHBondContact O-CB 3.49Å; F177-R181 PolarHBondContact O-N 2.85Å
178G89.2Confident89.7Confident39 Ų3967.3 Ų67.340%0.40236%0.357SS..Hα-helixtrans-58.5-48.4172.400000112.3N174 I176 R181 T182N174-G178 PolarHBondContact O-N 2.75Å; I176-G178 VanDerWaalsContact C-N 3.3Å; I176-G178 PolarHBondContact O-N 3.4Å; G178-R181 PolarHBondContact O-N 2.87Å; G178-T182 PolarHBondContact O-N 2.85Å; G178-T182 PolarHBondContact O-OG1 2.72Å
179K90.7Very high89.2Confident80 Ų8071.4 Ų71.435%0.34839%0.386SS..Hα-helixtrans-61.8-46.8176.7-70.5-177-175.1-178.40112.5D166 K175 I176 R181 T182 H183D166-K179 IonicContact OD2-NZ 2.59Å; D166-K179 PolarHBondContact OD2-NZ 3.46Å; K175-K179 WeakPolarHBondContact O-CG 3.3Å; K175-K179 PolarHBondContact O-N 3.18Å; I176-K179 PolarHBondContact O-N 2.68Å; I176-K179 VanDerWaalsContact O-N 3.15Å; K179-R181 VanDerWaalsContact C-N 3.29Å; K179-R181 PolarHBondContact O-N 2.85Å; K179-T182 PolarHBondContact O-N 2.85Å; K179-H183 PolarHBondContact O-CD2 3.28Å; K179-H183 PolarHBondContact O-N 3.11Å
180I89.8Confident88.3Confident6 Ų671.1 Ų71.13%0.03139%0.392CS..Hα-helixtrans-59.2-44.2-179.6-67168.6000109.8I133 A136 T137 A163 I176 F177 T182 H183 A184I133-I180 HydrophobicContact CB-CD1 4.48Å; I133-I180 HydrophobicContact CG1-CD1 3.8Å; I133-I180 HydrophobicContact CG2-CD1 4.4Å; A136-I180 HydrophobicContact CB-CG2 3.49Å; A136-I180 VanDerWaalsContact CB-CG2 3.49Å; T137-I180 HydrophobicContact CG2-CG2 4.12Å; A163-I180 HydrophobicContact CB-CD1 3.66Å; A163-I180 HydrophobicContact CB-CG1 3.82Å; I176-I180 HydrophobicContact CG2-CD1 3.7Å; I176-I180 HydrophobicContact CG2-CG1 4.16Å; I176-I180 WeakPolarHBondContact O-CG1 3.44Å; I176-I180 PolarHBondContact O-N 3.34Å; F177-I180 HydrophobicContact CD1-CD1 4.47Å; F177-I180 PolarHBondContact O-N 2.99Å; I180-T182 VanDerWaalsContact C-N 3.34Å; I180-T182 PolarHBondContact O-N 3.11Å; I180-H183 PolarHBondContact O-N 3.11Å; I180-A184 WeakPolarHBondContact O-CB 3.36Å; I180-A184 PolarHBondContact O-N 2.64Å
181R87.3Confident86.6Confident204 Ų20478.3 Ų78.377%0.7742%0.422SS*.Hα-helixtrans-59.5-44.9178.5-175.9179.8-88.5-166.4-6.2111.5F177 G178 K179 A185F177-R181 WeakPolarHBondContact O-CB 3.49Å; F177-R181 PolarHBondContact O-N 2.85Å; G178-R181 PolarHBondContact O-N 2.87Å; K179-R181 VanDerWaalsContact C-N 3.29Å; K179-R181 PolarHBondContact O-N 2.85Å; R181-A185 WeakPolarHBondContact O-CB 3.46Å; R181-A185 PolarHBondContact O-N 2.82Å
182T89.8Confident86.3Confident72 Ų7281.2 Ų81.244%0.44243%0.434SS..Hα-helixtrans-63.8-41.5177.4-53.10000112.2G178 K179 I180 R186G178-T182 PolarHBondContact O-N 2.85Å; G178-T182 PolarHBondContact O-OG1 2.72Å; K179-T182 PolarHBondContact O-N 2.85Å; I180-T182 VanDerWaalsContact C-N 3.34Å; I180-T182 PolarHBondContact O-N 3.11Å; T182-R186 WeakPolarHBondContact O-CG 3.38Å; T182-R186 PolarHBondContact O-N 2.93Å
183H88.7Confident85.9Confident67 Ų6781.6 Ų81.631%0.3143%0.432SS..Hα-helixtrans-71.9-41.2178.4-76.2-68.6000112.7V159 K179 I180 A185 R186 L187V159-H183 HydrophobicContact CG1-CB 3.84Å; V159-H183 HydrophobicContact CG2-CB 4.2Å; K179-H183 PolarHBondContact O-CD2 3.28Å; K179-H183 PolarHBondContact O-N 3.11Å; I180-H183 PolarHBondContact O-N 3.11Å; H183-A185 VanDerWaalsContact C-N 3.35Å; H183-R186 PolarHBondContact O-N 2.78Å; H183-L187 WeakPolarHBondContact O-CG 3.42Å; H183-L187 PolarHBondContact O-N 2.99Å
184A83.5Confident85.6Confident17 Ų1783.8 Ų83.814%0.1444%0.441CS..Hα-helixtrans-62.9-42.5176.900000111I180 R186 L187 D188I180-A184 WeakPolarHBondContact O-CB 3.36Å; I180-A184 PolarHBondContact O-N 2.64Å; A184-R186 VanDerWaalsContact C-N 3.29Å; A184-R186 PolarHBondContact O-N 2.85Å; A184-L187 PolarHBondContact O-N 3.26Å; A184-D188 WeakPolarHBondContact O-CB 2.93Å; A184-D188 PolarHBondContact O-N 2.77Å
185A85.6Confident85.3Confident61 Ų6180.6 Ų80.650%0.50442%0.423SS..Hα-helixtrans-59.7-38.7175.600000112.5R181 H183 S189R181-A185 WeakPolarHBondContact O-CB 3.46Å; R181-A185 PolarHBondContact O-N 2.82Å; H183-A185 VanDerWaalsContact C-N 3.35Å; A185-S189 PolarHBondContact O-N 2.66Å; A185-S189 VanDerWaalsContact O-N 3.13Å; A185-S189 PolarHBondContact O-OG 2.8Å
186R88.3Confident84.8Confident156 Ų15677.5 Ų77.559%0.58941%0.414SS*.Hα-helixtrans-69.4-38.2175.9-70.3175.3-174.9-179.80.9113.1T182 H183 A184 S189 S190T182-R186 WeakPolarHBondContact O-CG 3.38Å; T182-R186 PolarHBondContact O-N 2.93Å; H183-R186 PolarHBondContact O-N 2.78Å; A184-R186 VanDerWaalsContact C-N 3.29Å; A184-R186 PolarHBondContact O-N 2.85Å; R186-S189 PolarHBondContact O-N 2.73Å; R186-S189 PolarHBondContact O-OG 2.89Å; R186-S190 PolarHBondContact O-N 2.88Å; R186-S190 PolarHBondContact O-OG 3.09Å
187L85Confident84.4Confident40 Ų4082.5 Ų82.521%0.20944%0.441CS..Hα-helixtrans-69.8-38.2177.1-74175.5000111.6D155 R156 V159 H183 A184 S189 S190D155-L187 HydrophobicContact CB-CD2 3.92Å; R156-L187 HydrophobicContact CG-CD1 4.3Å; V159-L187 HydrophobicContact CB-CD1 4.49Å; V159-L187 HydrophobicContact CG2-CD1 3.68Å; H183-L187 WeakPolarHBondContact O-CG 3.42Å; H183-L187 PolarHBondContact O-N 2.99Å; A184-L187 PolarHBondContact O-N 3.26Å; L187-S189 VanDerWaalsContact C-N 3.27Å; L187-S189 PolarHBondContact O-N 3.18Å; L187-S190 WeakPolarHBondContact CA-OG 3.49Å; L187-S190 PolarHBondContact O-N 3.17Å; L187-S190 PolarHBondContact O-OG 2.9Å
188D84.8Confident83.9Confident61 Ų6183.9 Ų83.933%0.32645%0.453SS..Hα-helixtrans-71.4-23.6177.2-74.4-13.9000111.8R138 R156 A184R138-D188 IonicContact CZ-OD1 3.09Å; R138-D188 IonicContact CZ-OD2 3.55Å; R138-D188 IonicContact NH2-OD1 2.85Å; R138-D188 PolarHBondContact NH2-OD1 3.37Å; R138-D188 VanDerWaalsContact NH2-OD1 3.09Å; R138-D188 IonicContact NH2-OD2 2.85Å; R138-D188 PolarHBondContact NH2-OD2 2.95Å; R156-D188 IonicContact CZ-OD1 3.81Å; R156-D188 IonicContact NH1-OD1 3.79Å; R156-D188 IonicContact NH2-OD1 3.88Å; R156-D188 PolarHBondContact NH2-OD1 3.23Å; A184-D188 WeakPolarHBondContact O-CB 2.93Å; A184-D188 PolarHBondContact O-N 2.77Å
189S82.9Confident83.5Confident93 Ų9387.3 Ų87.365%0.6546%0.457SS*.THydrogen-bonded Turntrans-84.7-9.1174.268.40000114.8A185 R186 L187A185-S189 PolarHBondContact O-N 2.66Å; A185-S189 VanDerWaalsContact O-N 3.13Å; A185-S189 PolarHBondContact O-OG 2.8Å; R186-S189 PolarHBondContact O-N 2.73Å; R186-S189 PolarHBondContact O-OG 2.89Å; L187-S189 VanDerWaalsContact C-N 3.27Å; L187-S189 PolarHBondContact O-N 3.18Å
190S73.5Confident82.9Confident92 Ų9287.9 Ų87.964%0.64347%0.466SS*.THydrogen-bonded Turntrans-1005.1179.928.60000113.1R186 L187R186-S190 PolarHBondContact O-N 2.88Å; R186-S190 PolarHBondContact O-OG 3.09Å; L187-S190 WeakPolarHBondContact CA-OG 3.49Å; L187-S190 PolarHBondContact O-N 3.17Å; L187-S190 PolarHBondContact O-OG 2.9Å
191L55.9Low82.3Confident186 Ų18695.4 Ų95.497%0.97451%0.505SS*.  trans-990168.5-79157000109.6

Retrieved 191 of 191 residues in 305 ms (Link to these results)

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