A0A3B3V7B8_9TELE Loading...

mitogen-activated protein kinase

AlphaFold DB , UniProt , Accession A0A3B3V7B8, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 360 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M36.8Very low73.8Confident237 Ų237128.3 Ų128.3100%1.16762%0.617SS**  0104.70-69.6171.8-176.600107H3M1-H3 PolarHBondContact O-N 2.94Å
2S36.3Very low75.7Confident109 Ų109123.3 Ų123.376%0.76259%0.592SS**  trans-66.9110.5175.5155.20000107.7K4S2-K4 PolarHBondContact O-N 3.2Å
3H42.8Very low77.1Confident183 Ų183124.3 Ų124.385%0.84760%0.595SS**  trans-60.9101.8167.8-80.1-75.2000107.6M1 E5M1-H3 PolarHBondContact O-N 2.94Å; H3-E5 PolarHBondContact O-N 3.36Å; H3-E5 VanDerWaalsContact O-N 3.1Å
4K60.5Low78.1Confident149 Ų149116.7 Ų116.765%0.64856%0.56SS**  trans-61.2114168.3-79.2179.7179171.50106.6S2 R6S2-K4 PolarHBondContact O-N 3.2Å; K4-R6 PolarHBondContact O-N 3.1Å
5E72.3Confident78.6Confident186 Ų186115.7 Ų115.787%0.86956%0.559SS**PPolyproline II helixtrans-57.9131.9173.1-75.9-175.8160.300109H3H3-E5 PolarHBondContact O-N 3.36Å; H3-E5 VanDerWaalsContact O-N 3.1Å
6R84.3Confident79.2Confident129 Ų129120.6 Ų120.649%0.48758%0.576SS.*PPolyproline II helixtrans-65.7131.1178.9-179.8-179176.3168.1-1.6109.4K4 P93 A94K4-R6 PolarHBondContact O-N 3.1Å; R6-P93 PolarHBondContact NH2-O 3.01Å; R6-A94 PolarHBondContact NH2-O 2.84Å
7P91.4Very high79.8Confident70 Ų70116.2 Ų116.246%0.45556%0.559SS.*PPolyproline II helixtrans-67.6152.9179.428-34.2000111.5F9 P22P7-F9 HydrophobicContact CG-CE2 3.93Å; P7-F9 HydrophobicContact CG-CZ 4.38Å; P7-F9 VanDerWaalsContact O-CD2 3.24Å; P7-F9 WeakPolarHBondContact O-CD2 3.41Å; P7-F9 WeakPolarHBondContact O-CE2 3.48Å; P7-P22 HydrophobicContact CB-CB 4.12Å; P7-P22 HydrophobicContact CG-CB 4.26Å; P7-P22 HydrophobicContact CG-CG 4.24Å
8V95.3Very high80.6Confident89 Ų89114.2 Ų114.254%0.53956%0.555SS.*PPolyproline II helixtrans-76.3134.6170-178.50000108.9P22 Q23V8-P22 WeakPolarHBondContact O-CA 3.49Å; V8-Q23 HydrophobicContact CB-CG 4.32Å; V8-Q23 HydrophobicContact CG1-CG 4.29Å; V8-Q23 WeakPolarHBondContact O-CG 3.44Å; V8-Q23 PolarHBondContact O-N 3.08Å
9F97.5Very high81.5Confident37 Ų37108.3 Ų108.316%0.16253%0.526CS..EExtended strand (participates in β ladder)trans-103151.1178.3-72.9-108.1000110.9P7 E20 V21 P22 F91 T92 P93P7-F9 HydrophobicContact CG-CE2 3.93Å; P7-F9 HydrophobicContact CG-CZ 4.38Å; P7-F9 VanDerWaalsContact O-CD2 3.24Å; P7-F9 WeakPolarHBondContact O-CD2 3.41Å; P7-F9 WeakPolarHBondContact O-CE2 3.48Å; F9-E20 HydrophobicContact CB-CG 3.93Å; F9-E20 HydrophobicContact CD1-CG 4.11Å; F9-E20 HydrophobicContact CG-CG 4.41Å; F9-V21 VanDerWaalsContact CA-O 3.29Å; F9-V21 WeakPolarHBondContact CA-O 3.49Å; F9-V21 VanDerWaalsContact CD1-C 3.42Å; F9-P22 HydrophobicContact CD1-CG 4.29Å; F9-P22 VanDerWaalsContact CE1-CD 3.5Å; F9-P22 HydrophobicContact CE1-CG 3.77Å; F9-P22 HydrophobicContact CZ-CG 3.88Å; F9-F91 AromaticContact CE1-CD2 3.79Å; F9-F91 HydrophobicContact CE1-CD2 3.79Å; F9-F91 HydrophobicContact CE1-CE2 4.26Å; F9-F91 HydrophobicContact CZ-CD2 4.39Å; F9-T92 WeakPolarHBondContact CZ-O 3.41Å; F9-P93 HydrophobicContact CD1-CB 4.05Å; F9-P93 HydrophobicContact CE1-CB 4.12Å
10Y97.8Very high82.3Confident50 Ų50105 Ų10520%0.19651%0.51CS..EExtended strand (participates in β ladder)trans-126.8159.2167.878.5-84.5000110.5Q12 E20 V21 Q23 Y25 L28Y10-Q12 HydrophobicContact CE2-CB 4.11Å; Y10-E20 WeakPolarHBondContact O-CA 3.23Å; Y10-V21 HydrophobicContact CD1-CG2 4.07Å; Y10-V21 WeakPolarHBondContact CD1-O 3.45Å; Y10-V21 HydrophobicContact CE1-CG2 3.41Å; Y10-V21 VanDerWaalsContact CE1-CG2 3.41Å; Y10-V21 HydrophobicContact CE2-CG2 4.44Å; Y10-V21 PolarHBondContact N-O 2.88Å; Y10-V21 PolarHBondContact O-N 3.22Å; Y10-V21 VanDerWaalsContact O-N 3.09Å; Y10-Q23 HydrophobicContact CD1-CG 4.29Å; Y10-Y25 WeakPolarHBondContact CE1-O 3.49Å; Y10-Y25 PolarHBondContact OH-O 2.82Å; Y10-Y25 VanDerWaalsContact OH-O 3.04Å; Y10-L28 WeakPolarHBondContact OH-CD1 3.45Å
11R97.1Very high83Confident172 Ų172100 Ų10065%0.64949%0.486SS*.EExtended strand (participates in β ladder)trans-111.1138.8-177.8-66.6179-179.1-166.9-9.9111.6V18 W19 E20R11-V18 HydrophobicContact CB-CG1 4.5Å; R11-W19 CarbonylContact C-O 3.6Å; R11-W19 VanDerWaalsContact CA-O 3.25Å; R11-W19 WeakPolarHBondContact CA-O 3.18Å; R11-E20 HydrophobicContact CG-CB 4.1Å; R11-E20 HydrophobicContact CG-CG 3.85Å; R11-E20 IonicContact CZ-OE1 3.44Å; R11-E20 IonicContact CZ-OE2 3.48Å; R11-E20 IonicContact NE-OE1 3.55Å; R11-E20 PolarHBondContact NE-OE1 3.38Å; R11-E20 IonicContact NE-OE2 2.9Å; R11-E20 PolarHBondContact NE-OE2 2.8Å; R11-E20 IonicContact NH2-OE1 2.63Å; R11-E20 PolarHBondContact NH2-OE1 3.38Å; R11-E20 IonicContact NH2-OE2 3.78Å; R11-E20 PolarHBondContact NH2-OE2 3.12Å
12Q95.8Very high85.9Confident68 Ų6888.9 Ų88.932%0.31843%0.431SS..EExtended strand (participates in β ladder)trans-145.2137.6174.7-173.8179.2-8.500109.7Y10 L14 W19Y10-Q12 HydrophobicContact CE2-CB 4.11Å; Q12-L14 HydrophobicContact CG-CD2 4.38Å; Q12-L14 HydrophobicContact CG-CG 4.12Å; Q12-W19 PolarHBondContact N-O 3.17Å; Q12-W19 PolarHBondContact O-N 3.5Å
13E94.9Very high88.8Confident137 Ų13788.4 Ų88.464%0.6442%0.417SS*.EExtended strand (participates in β ladder)trans-88.9123.4172.4-168179.8165.200110.1T17E13-T17 WeakPolarHBondContact CA-O 3.36Å
14L90.8Very high91.3Very high18 Ų1882.3 Ų82.39%0.09439%0.386CS..EExtended strand (participates in β ladder)trans-133.4128.7179-68170.1000108.8Q12 K16 T17 W19 L28 P30Q12-L14 HydrophobicContact CG-CD2 4.38Å; Q12-L14 HydrophobicContact CG-CG 4.12Å; L14-K16 PolarHBondContact O-N 3.35Å; L14-K16 VanDerWaalsContact O-N 3.14Å; L14-T17 PolarHBondContact N-O 2.98Å; L14-T17 PolarHBondContact O-N 3.43Å; L14-T17 VanDerWaalsContact O-O 3.05Å; L14-T17 PolarHBondContact O-OG1 3.5Å; L14-W19 HydrophobicContact CD1-CD2 4.48Å; L14-W19 HydrophobicContact CD1-CG 4.27Å; L14-L28 HydrophobicContact CD1-CB 3.59Å; L14-L28 HydrophobicContact CD1-CD2 3.87Å; L14-L28 HydrophobicContact CD1-CG 4.34Å; L14-P30 HydrophobicContact CD2-CG 4.26Å
15N86.1Confident93.1Very high102 Ų10275.2 Ų75.255%0.54536%0.355SS..THydrogen-bonded Turntrans48.141.6-179.2-68.9-12.3000114T17 P30N15-T17 PolarHBondContact O-N 3.33Å; N15-P30 WeakPolarHBondContact ND2-CB 3.29Å
16K87.1Confident94.3Very high194 Ų19469 Ų6984%0.84333%0.326SS*.THydrogen-bonded Turntrans65.118.9-178.2-46.9175.6-178.9177.50114.6L14L14-K16 PolarHBondContact O-N 3.35Å; L14-K16 VanDerWaalsContact O-N 3.14Å
17T89.5Confident94.9Very high46 Ų4668.8 Ų68.828%0.28234%0.335SS..EExtended strand (participates in β ladder)trans-120.1135.9173.859.10000108.7E13 L14 N15 W19E13-T17 WeakPolarHBondContact CA-O 3.36Å; L14-T17 PolarHBondContact N-O 2.98Å; L14-T17 PolarHBondContact O-N 3.43Å; L14-T17 VanDerWaalsContact O-O 3.05Å; L14-T17 PolarHBondContact O-OG1 3.5Å; N15-T17 PolarHBondContact O-N 3.33Å; T17-W19 PolarHBondContact OG1-NE1 2.95Å
18V94.6Very high95.1Very high80 Ų8066 Ų6649%0.48532%0.316SS..EExtended strand (participates in β ladder)trans-82.1121.9173.6-1790000108R11 K55R11-V18 HydrophobicContact CB-CG1 4.5Å; V18-K55 PolarHBondContact O-NZ 3.13Å
19W97.1Very high95.1Very high2 Ų264.7 Ų64.71%0.00831%0.311CS..EExtended strand (participates in β ladder)trans-100134.8173.3-71.161.6000108.5R11 Q12 L14 T17 V21 L28 S38 C40 V53 K55 Y104R11-W19 CarbonylContact C-O 3.6Å; R11-W19 VanDerWaalsContact CA-O 3.25Å; R11-W19 WeakPolarHBondContact CA-O 3.18Å; Q12-W19 PolarHBondContact N-O 3.17Å; Q12-W19 PolarHBondContact O-N 3.5Å; L14-W19 HydrophobicContact CD1-CD2 4.48Å; L14-W19 HydrophobicContact CD1-CG 4.27Å; T17-W19 PolarHBondContact OG1-NE1 2.95Å; W19-V21 HydrophobicContact CB-CG1 4.44Å; W19-V21 HydrophobicContact CE3-CG1 4.17Å; W19-L28 HydrophobicContact CB-CD2 4.47Å; W19-L28 HydrophobicContact CD2-CD2 4.36Å; W19-L28 HydrophobicContact CE3-CD2 3.85Å; W19-L28 HydrophobicContact CZ3-CD2 4.49Å; W19-S38 WeakPolarHBondContact CH2-O 3.24Å; W19-C40 HydrophobicContact CH2-CB 3.98Å; W19-C40 VanDerWaalsContact CH2-SG 3.57Å; W19-C40 HydrophobicContact CZ2-CB 4.48Å; W19-C40 WeakPolarHBondContact CZ2-SG 3.49Å; W19-C40 HydrophobicContact CZ3-CB 4.14Å; W19-V53 VanDerWaalsContact CH2-O 3.27Å; W19-V53 WeakPolarHBondContact CH2-O 3.23Å; W19-V53 HydrophobicContact CZ3-CB 4.12Å; W19-V53 HydrophobicContact CZ3-CG1 3.84Å; W19-V53 WeakPolarHBondContact CZ3-O 3.38Å; W19-K55 HydrophobicContact CD2-CB 4.35Å; W19-K55 HydrophobicContact CD2-CD 4.48Å; W19-K55 HydrophobicContact CE3-CB 4.25Å; W19-K55 HydrophobicContact CH2-CB 3.73Å; W19-K55 HydrophobicContact CZ2-CB 3.82Å; W19-K55 HydrophobicContact CZ3-CB 3.95Å; W19-Y104 HydrophobicContact CD2-CE1 4.2Å; W19-Y104 HydrophobicContact CE3-CD1 4.06Å; W19-Y104 AromaticContact CE3-CE1 3.71Å; W19-Y104 HydrophobicContact CE3-CE1 3.71Å; W19-Y104 HydrophobicContact CZ3-CD1 4.2Å; W19-Y104 HydrophobicContact CZ3-CE1 4.26Å
20E97.4Very high94.9Very high42 Ų4265.3 Ų65.320%0.19632%0.319CS..EExtended strand (participates in β ladder)trans-126.9104.3174.2-171.5164.6-152.800107.7F9 Y10 R11 P93 Y104F9-E20 HydrophobicContact CB-CG 3.93Å; F9-E20 HydrophobicContact CD1-CG 4.11Å; F9-E20 HydrophobicContact CG-CG 4.41Å; Y10-E20 WeakPolarHBondContact O-CA 3.23Å; R11-E20 HydrophobicContact CG-CB 4.1Å; R11-E20 HydrophobicContact CG-CG 3.85Å; R11-E20 IonicContact CZ-OE1 3.44Å; R11-E20 IonicContact CZ-OE2 3.48Å; R11-E20 IonicContact NE-OE1 3.55Å; R11-E20 PolarHBondContact NE-OE1 3.38Å; R11-E20 IonicContact NE-OE2 2.9Å; R11-E20 PolarHBondContact NE-OE2 2.8Å; R11-E20 IonicContact NH2-OE1 2.63Å; R11-E20 PolarHBondContact NH2-OE1 3.38Å; R11-E20 IonicContact NH2-OE2 3.78Å; R11-E20 PolarHBondContact NH2-OE2 3.12Å; E20-P93 HydrophobicContact CB-CB 4.1Å; E20-P93 HydrophobicContact CB-CG 4.19Å; E20-P93 HydrophobicContact CG-CB 3.7Å; E20-P93 HydrophobicContact CG-CG 4.33Å; E20-Y104 PolarHBondContact N-OH 2.69Å; E20-Y104 VanDerWaalsContact N-OH 3.13Å
21V97.6Very high94.4Very high1 Ų167.3 Ų67.31%0.00634%0.336CS..EExtended strand (participates in β ladder)trans-128.3152.6-169.2-570000111.4F9 Y10 W19 L28 F91 Y104F9-V21 VanDerWaalsContact CA-O 3.29Å; F9-V21 WeakPolarHBondContact CA-O 3.49Å; F9-V21 VanDerWaalsContact CD1-C 3.42Å; Y10-V21 HydrophobicContact CD1-CG2 4.07Å; Y10-V21 WeakPolarHBondContact CD1-O 3.45Å; Y10-V21 HydrophobicContact CE1-CG2 3.41Å; Y10-V21 VanDerWaalsContact CE1-CG2 3.41Å; Y10-V21 HydrophobicContact CE2-CG2 4.44Å; Y10-V21 PolarHBondContact N-O 2.88Å; Y10-V21 PolarHBondContact O-N 3.22Å; Y10-V21 VanDerWaalsContact O-N 3.09Å; W19-V21 HydrophobicContact CB-CG1 4.44Å; W19-V21 HydrophobicContact CE3-CG1 4.17Å; V21-L28 HydrophobicContact CG1-CD2 4.14Å; V21-L28 HydrophobicContact CG2-CD1 4.22Å; V21-L28 HydrophobicContact CG2-CD2 4.09Å; V21-F91 HydrophobicContact CB-CE2 4.1Å; V21-F91 HydrophobicContact CB-CZ 3.93Å; V21-F91 HydrophobicContact CG1-CE2 3.96Å; V21-F91 HydrophobicContact CG1-CZ 3.8Å; V21-Y104 HydrophobicContact CG1-CD1 4.23Å; V21-Y104 HydrophobicContact CG1-CE1 4.09Å
22P97.9Very high93.5Very high2 Ų260.7 Ų60.71%0.01332%0.321CS..EExtended strand (participates in β ladder)trans-56.2144173.2-28.636.4000112.7P7 V8 F9 R24 Y25 F91P7-P22 HydrophobicContact CB-CB 4.12Å; P7-P22 HydrophobicContact CG-CB 4.26Å; P7-P22 HydrophobicContact CG-CG 4.24Å; V8-P22 WeakPolarHBondContact O-CA 3.49Å; F9-P22 HydrophobicContact CD1-CG 4.29Å; F9-P22 VanDerWaalsContact CE1-CD 3.5Å; F9-P22 HydrophobicContact CE1-CG 3.77Å; F9-P22 HydrophobicContact CZ-CG 3.88Å; P22-R24 HydrophobicContact CB-CG 4.1Å; P22-R24 PolarHBondContact O-N 2.78Å; P22-Y25 HydrophobicContact CB-CD2 4.09Å; P22-Y25 HydrophobicContact CB-CE2 4.32Å; P22-Y25 HydrophobicContact CG-CD2 4.21Å; P22-Y25 HydrophobicContact CG-CE2 4.19Å; P22-Y25 PolarHBondContact O-N 2.65Å; P22-F91 VanDerWaalsContact CD-CZ 3.48Å; P22-F91 HydrophobicContact CG-CD1 4.15Å; P22-F91 HydrophobicContact CG-CD2 4.13Å; P22-F91 HydrophobicContact CG-CE1 4.35Å; P22-F91 HydrophobicContact CG-CE2 4.33Å; P22-F91 HydrophobicContact CG-CG 4.03Å; P22-F91 HydrophobicContact CG-CZ 4.44Å
23Q96.9Very high92.3Very high100 Ų10062.1 Ų62.147%0.46734%0.339SS..THydrogen-bonded Turntrans-58.4-17.2178.5-77.1-178.7-2100114.7V8 Y10 Y25 Q26V8-Q23 HydrophobicContact CB-CG 4.32Å; V8-Q23 HydrophobicContact CG1-CG 4.29Å; V8-Q23 WeakPolarHBondContact O-CG 3.44Å; V8-Q23 PolarHBondContact O-N 3.08Å; Y10-Q23 HydrophobicContact CD1-CG 4.29Å; Q23-Y25 PolarHBondContact O-N 3.12Å; Q23-Q26 PolarHBondContact O-NE2 3.04Å
24R96.3Very high91Very high54 Ų5458 Ų5820%0.20433%0.334CS..THydrogen-bonded Turntrans-64.8-25173.772.4-175.5-80.8-161.5-0113.4P22 D44 E45 D89P22-R24 HydrophobicContact CB-CG 4.1Å; P22-R24 PolarHBondContact O-N 2.78Å; R24-D44 IonicContact CZ-OD1 3.53Å; R24-D44 IonicContact CZ-OD2 2.85Å; R24-D44 IonicContact NE-OD1 4Å; R24-D44 PolarHBondContact NE-OD1 3.36Å; R24-D44 IonicContact NE-OD2 3.93Å; R24-D44 VanDerWaalsContact NH2-CG 3.27Å; R24-D44 IonicContact NH2-OD1 3.95Å; R24-D44 PolarHBondContact NH2-OD1 2.9Å; R24-D44 VanDerWaalsContact NH2-OD1 3.12Å; R24-D44 IonicContact NH2-OD2 2.82Å; R24-D44 PolarHBondContact NH2-OD2 3.45Å; R24-E45 PolarHBondContact O-N 2.95Å; R24-D89 IonicContact CZ-OD2 3.53Å; R24-D89 IonicContact NH1-OD2 3.52Å; R24-D89 PolarHBondContact NH1-OD2 3.37Å
25Y97.9Very high89.6Confident0 Ų061.2 Ų61.20%036%0.362CS..EExtended strand (participates in β ladder)trans-97.3104.7-177.3-60.9-61.9000109.3Y10 P22 Q23 F43 D44 V51 D89 F91 V106Y10-Y25 WeakPolarHBondContact CE1-O 3.49Å; Y10-Y25 PolarHBondContact OH-O 2.82Å; Y10-Y25 VanDerWaalsContact OH-O 3.04Å; P22-Y25 HydrophobicContact CB-CD2 4.09Å; P22-Y25 HydrophobicContact CB-CE2 4.32Å; P22-Y25 HydrophobicContact CG-CD2 4.21Å; P22-Y25 HydrophobicContact CG-CE2 4.19Å; P22-Y25 PolarHBondContact O-N 2.65Å; Q23-Y25 PolarHBondContact O-N 3.12Å; Y25-F43 WeakPolarHBondContact CA-O 3.43Å; Y25-D44 HydrophobicContact CD1-CB 4Å; Y25-D44 HydrophobicContact CE1-CB 3.9Å; Y25-V51 HydrophobicContact CD1-CG2 3.92Å; Y25-V51 HydrophobicContact CE1-CG2 4.03Å; Y25-D89 WeakPolarHBondContact OH-CB 3.42Å; Y25-D89 VanDerWaalsContact OH-CG 3.26Å; Y25-D89 PolarHBondContact OH-OD2 2.89Å; Y25-F91 AromaticContact CD2-CE1 3.94Å; Y25-F91 HydrophobicContact CD2-CE1 3.94Å; Y25-F91 HydrophobicContact CD2-CZ 4.36Å; Y25-F91 HydrophobicContact CE2-CD1 4.03Å; Y25-F91 AromaticContact CE2-CE1 3.56Å; Y25-F91 HydrophobicContact CE2-CE1 3.56Å; Y25-F91 HydrophobicContact CE2-CZ 4.4Å; Y25-V106 HydrophobicContact CE1-CG1 3.94Å; Y25-V106 HydrophobicContact CE1-CG2 4.38Å; Y25-V106 HydrophobicContact CE2-CG2 4.16Å
26Q97.5Very high88.6Confident56 Ų5659.2 Ų59.226%0.26235%0.347SS..EExtended strand (participates in β ladder)trans-107.7165.7-176.8-67.8-60.4-30.600112Q23 L28 A42 F43 E45Q23-Q26 PolarHBondContact O-NE2 3.04Å; Q26-L28 PolarHBondContact O-N 3.34Å; Q26-A42 WeakPolarHBondContact O-CA 3.08Å; Q26-F43 PolarHBondContact N-O 2.68Å; Q26-F43 PolarHBondContact O-N 2.79Å; Q26-E45 HydrophobicContact CB-CG 4.48Å; Q26-E45 HydrophobicContact CG-CG 3.95Å; Q26-E45 WeakPolarHBondContact CG-OE1 3.44Å
27N95.8Very high88.2Confident125 Ų12550.1 Ų50.167%0.66831%0.309SS*.EExtended strand (participates in β ladder)trans56.343.8173.1-54.6-46.4000113.8S29N27-S29 PolarHBondContact O-N 3.02Å; N27-S29 VanDerWaalsContact O-N 3.14Å
28L96.7Very high88.2Confident11 Ų1148.8 Ų48.86%0.05830%0.301CS..EExtended strand (participates in β ladder)trans-57.9121178.3-90.966000110.9Y10 L14 W19 V21 Q26 C40 S41 A42Y10-L28 WeakPolarHBondContact OH-CD1 3.45Å; L14-L28 HydrophobicContact CD1-CB 3.59Å; L14-L28 HydrophobicContact CD1-CD2 3.87Å; L14-L28 HydrophobicContact CD1-CG 4.34Å; W19-L28 HydrophobicContact CB-CD2 4.47Å; W19-L28 HydrophobicContact CD2-CD2 4.36Å; W19-L28 HydrophobicContact CE3-CD2 3.85Å; W19-L28 HydrophobicContact CZ3-CD2 4.49Å; V21-L28 HydrophobicContact CG1-CD2 4.14Å; V21-L28 HydrophobicContact CG2-CD1 4.22Å; V21-L28 HydrophobicContact CG2-CD2 4.09Å; Q26-L28 PolarHBondContact O-N 3.34Å; L28-C40 HydrophobicContact CB-CB 4.4Å; L28-C40 HydrophobicContact CG-CB 4.26Å; L28-S41 CarbonylContact C-O 3.59Å; L28-S41 VanDerWaalsContact CA-O 3.27Å; L28-S41 WeakPolarHBondContact CA-O 3.47Å; L28-A42 HydrophobicContact CD1-CB 3.65Å; L28-A42 HydrophobicContact CG-CB 4.19Å
29S94.9Very high88.1Confident62 Ų6246.9 Ų46.943%0.43429%0.29SS..EExtended strand (participates in β ladder)trans-128.4124.3177.2179.10000110.2N27 V31 C40 S41N27-S29 PolarHBondContact O-N 3.02Å; N27-S29 VanDerWaalsContact O-N 3.14Å; S29-V31 PolarHBondContact O-N 3.36Å; S29-C40 CarbonylContact O-C 2.98Å; S29-C40 VanDerWaalsContact O-CA 3.28Å; S29-C40 WeakPolarHBondContact O-CA 3.41Å; S29-S41 PolarHBondContact N-O 2.89Å; S29-S41 PolarHBondContact O-N 2.69Å; S29-S41 PolarHBondContact O-OG 3.39Å; S29-S41 VanDerWaalsContact O-OG 3.09Å
30P93.2Very high87.9Confident50 Ų5046.9 Ų46.933%0.32529%0.29SS..EExtended strand (participates in β ladder)trans-57.9135.5179-2433.6000112.9L14 N15L14-P30 HydrophobicContact CD2-CG 4.26Å; N15-P30 WeakPolarHBondContact ND2-CB 3.29Å
31V86.4Confident87.8Confident91 Ų9146 Ų4655%0.55229%0.289SS*.EExtended strand (participates in β ladder)trans-115.7-40.5178178.10000110.9S29 V39 L109S29-V31 PolarHBondContact O-N 3.36Å; V31-V39 PolarHBondContact N-O 3.48Å; V31-L109 HydrophobicContact CG2-CD1 4.47Å
32G78.6Confident87.8Confident34 Ų3446.2 Ų46.235%0.35129%0.29SS..EExtended strand (participates in β ladder)trans-162.2159.1-178.600000113.1V39G32-V39 PolarHBondContact N-O 3.26Å; G32-V39 PolarHBondContact O-N 2.98Å
33S71.6Confident87.8Confident97 Ų9749.9 Ų49.968%0.67831%0.306SS*.EExtended strand (participates in β ladder)trans-136.3130.4173.960.10000109.3
34G66.9Low87.8Confident52 Ų5245.2 Ų45.254%0.53628%0.284SS..EExtended strand (participates in β ladder)trans-132.7-179.7177.900000111.9Y36 G37G34-Y36 PolarHBondContact O-N 3.19Å; G34-G37 PolarHBondContact N-O 3.11Å; G34-G37 PolarHBondContact O-N 3.28Å
35A61.4Low87.7Confident84 Ų8448.4 Ų48.469%0.69430%0.302SS*.THydrogen-bonded Turntrans-58.4-22.2179.600000113.6
36Y65Low87.4Confident60 Ų6055 Ų5524%0.23533%0.33CS..THydrogen-bonded Turntrans-112.3-0.4-169.2-47.9-57.2000113.9G34 S57 R68G34-Y36 PolarHBondContact O-N 3.19Å; Y36-S57 PolarHBondContact O-N 2.8Å; Y36-R68 PolarHBondContact OH-NH1 2.85Å
37G79.4Confident87.1Confident3 Ų353.4 Ų53.43%0.03133%0.325CS..EExtended strand (participates in β ladder)trans163.5171-178.500000113.5G34 K55 S57G34-G37 PolarHBondContact N-O 3.11Å; G34-G37 PolarHBondContact O-N 3.28Å; G37-K55 CarbonylContact C-O 3.51Å; G37-K55 WeakPolarHBondContact CA-O 3.44Å; G37-S57 WeakPolarHBondContact CA-OG 3.43Å
38S88.9Confident86.8Confident18 Ų1849.5 Ų49.513%0.12631%0.314CS..EExtended strand (participates in β ladder)trans-110.7139.7170.2-61.60000108.7W19 K54 K55W19-S38 WeakPolarHBondContact CH2-O 3.24Å; S38-K54 CarbonylContact O-C 3.54Å; S38-K54 WeakPolarHBondContact O-CA 3.5Å; S38-K55 PolarHBondContact N-O 3.27Å; S38-K55 PolarHBondContact O-N 2.59Å
39V91.6Very high86.5Confident40 Ų4051.4 Ų51.424%0.24232%0.324CS..EExtended strand (participates in β ladder)trans-117.2127.9-178.7-175.70000109.1V31 G32 A52 V53 K54V31-V39 PolarHBondContact N-O 3.48Å; G32-V39 PolarHBondContact N-O 3.26Å; G32-V39 PolarHBondContact O-N 2.98Å; V39-A52 HydrophobicContact CG1-CB 4.09Å; V39-V53 WeakPolarHBondContact CA-O 3.4Å; V39-K54 HydrophobicContact CG2-CB 4.09Å; V39-K54 HydrophobicContact CG2-CD 4.44Å; V39-K54 HydrophobicContact CG2-CG 3.98Å
40C94.8Very high86.4Confident3 Ų355.7 Ų55.72%0.0233%0.334CS..EExtended strand (participates in β ladder)trans-115144.1169.1-650000109.5W19 L28 S29 A52 V53W19-C40 HydrophobicContact CH2-CB 3.98Å; W19-C40 VanDerWaalsContact CH2-SG 3.57Å; W19-C40 HydrophobicContact CZ2-CB 4.48Å; W19-C40 WeakPolarHBondContact CZ2-SG 3.49Å; W19-C40 HydrophobicContact CZ3-CB 4.14Å; L28-C40 HydrophobicContact CB-CB 4.4Å; L28-C40 HydrophobicContact CG-CB 4.26Å; S29-C40 CarbonylContact O-C 2.98Å; S29-C40 VanDerWaalsContact O-CA 3.28Å; S29-C40 WeakPolarHBondContact O-CA 3.41Å; C40-A52 CarbonylContact O-C 3.6Å; C40-A52 WeakPolarHBondContact O-CA 3.1Å; C40-V53 PolarHBondContact N-O 3.32Å; C40-V53 PolarHBondContact O-N 3.43Å
41S95.2Very high86.5Confident24 Ų2453.3 Ų53.317%0.16832%0.319CS..EExtended strand (participates in β ladder)trans-74.5148.2158.357.40000109L28 S29 V51L28-S41 CarbonylContact C-O 3.59Å; L28-S41 VanDerWaalsContact CA-O 3.27Å; L28-S41 WeakPolarHBondContact CA-O 3.47Å; S29-S41 PolarHBondContact N-O 2.89Å; S29-S41 PolarHBondContact O-N 2.69Å; S29-S41 PolarHBondContact O-OG 3.39Å; S29-S41 VanDerWaalsContact O-OG 3.09Å; S41-V51 CarbonylContact C-O 3.47Å; S41-V51 VanDerWaalsContact CA-O 3.29Å; S41-V51 WeakPolarHBondContact CA-O 3.39Å
42A97.1Very high86.9Confident4 Ų449.5 Ų49.53%0.03330%0.297CS..EExtended strand (participates in β ladder)trans-145.8160.3172.200000109.8Q26 L28 K50 V51 V53Q26-A42 WeakPolarHBondContact O-CA 3.08Å; L28-A42 HydrophobicContact CD1-CB 3.65Å; L28-A42 HydrophobicContact CG-CB 4.19Å; A42-K50 WeakPolarHBondContact O-CA 3.11Å; A42-V51 HydrophobicContact CB-CG2 4.04Å; A42-V51 PolarHBondContact N-O 3.41Å; A42-V51 PolarHBondContact O-N 2.82Å; A42-V53 HydrophobicContact CB-CG2 3.97Å
43F96.9Very high87.7Confident79 Ų7947.9 Ų47.935%0.34628%0.28SS..EExtended strand (participates in β ladder)trans-97.5123.3167.5-176-103.5000108.8Y25 Q26 E45 G48Y25-F43 WeakPolarHBondContact CA-O 3.43Å; Q26-F43 PolarHBondContact N-O 2.68Å; Q26-F43 PolarHBondContact O-N 2.79Å; F43-E45 HydrophobicContact CD1-CG 4.05Å; F43-E45 HydrophobicContact CE1-CG 4.26Å; F43-G48 VanDerWaalsContact CE2-O 3.23Å; F43-G48 WeakPolarHBondContact CE2-O 3.42Å
44D96.6Very high88.7Confident2 Ų245.1 Ų45.11%0.01126%0.256CS..EExtended strand (participates in β ladder)trans-91.1102.7177.3179.19.1000110R24 Y25 K46 T47 G48 L49 V51R24-D44 IonicContact CZ-OD1 3.53Å; R24-D44 IonicContact CZ-OD2 2.85Å; R24-D44 IonicContact NE-OD1 4Å; R24-D44 PolarHBondContact NE-OD1 3.36Å; R24-D44 IonicContact NE-OD2 3.93Å; R24-D44 VanDerWaalsContact NH2-CG 3.27Å; R24-D44 IonicContact NH2-OD1 3.95Å; R24-D44 PolarHBondContact NH2-OD1 2.9Å; R24-D44 VanDerWaalsContact NH2-OD1 3.12Å; R24-D44 IonicContact NH2-OD2 2.82Å; R24-D44 PolarHBondContact NH2-OD2 3.45Å; Y25-D44 HydrophobicContact CD1-CB 4Å; Y25-D44 HydrophobicContact CE1-CB 3.9Å; D44-K46 PolarHBondContact O-N 3.05Å; D44-K46 VanDerWaalsContact O-N 3.12Å; D44-K46 WeakPolarHBondContact OD1-CB 3.36Å; D44-K46 PolarHBondContact OD1-N 3.49Å; D44-T47 WeakPolarHBondContact CB-OG1 3.43Å; D44-T47 PolarHBondContact O-N 3.16Å; D44-T47 VanDerWaalsContact O-N 3.17Å; D44-T47 WeakPolarHBondContact OD2-CG2 3.47Å; D44-T47 PolarHBondContact OD2-OG1 3.37Å; D44-G48 WeakPolarHBondContact O-CA 3.39Å; D44-G48 PolarHBondContact O-N 3.15Å; D44-L49 PolarHBondContact N-O 3.22Å; D44-V51 HydrophobicContact CB-CG1 4.03Å; D44-V51 HydrophobicContact CB-CG2 4.26Å
45E95.6Very high90.1Very high122 Ų12243.9 Ų43.957%0.5724%0.236SC*.THydrogen-bonded Turntrans-63.6-20.1-175.8-65.6-172.1143.100113.5R24 Q26 F43R24-E45 PolarHBondContact O-N 2.95Å; Q26-E45 HydrophobicContact CB-CG 4.48Å; Q26-E45 HydrophobicContact CG-CG 3.95Å; Q26-E45 WeakPolarHBondContact CG-OE1 3.44Å; F43-E45 HydrophobicContact CD1-CG 4.05Å; F43-E45 HydrophobicContact CE1-CG 4.26Å
46K91.7Very high91.6Very high137 Ų13740.2 Ų40.260%0.59621%0.205SC*.THydrogen-bonded Turntrans-76.1-37178-172.8-175.9176-168.30111.9D44D44-K46 PolarHBondContact O-N 3.05Å; D44-K46 VanDerWaalsContact O-N 3.12Å; D44-K46 WeakPolarHBondContact OD1-CB 3.36Å; D44-K46 PolarHBondContact OD1-N 3.49Å
47T90.1Very high92.7Very high24 Ų2440 Ų4015%0.14721%0.212CC..THydrogen-bonded Turntrans-107.4-15.8-172.163.20000112.4D44 L49 L354D44-T47 WeakPolarHBondContact CB-OG1 3.43Å; D44-T47 PolarHBondContact O-N 3.16Å; D44-T47 VanDerWaalsContact O-N 3.17Å; D44-T47 WeakPolarHBondContact OD2-CG2 3.47Å; D44-T47 PolarHBondContact OD2-OG1 3.37Å; T47-L49 PolarHBondContact O-N 2.66Å; T47-L49 PolarHBondContact OG1-N 3.33Å; T47-L354 HydrophobicContact CG2-CD2 3.34Å
48G91.1Very high93.1Very high42 Ų4248.9 Ų48.943%0.43325%0.245SC..THydrogen-bonded Turntrans73.57.3-173.500000113.6F43 D44F43-G48 VanDerWaalsContact CE2-O 3.23Å; F43-G48 WeakPolarHBondContact CE2-O 3.42Å; D44-G48 WeakPolarHBondContact O-CA 3.39Å; D44-G48 PolarHBondContact O-N 3.15Å
49L89.8Confident93.3Very high51 Ų5148.3 Ų48.327%0.26724%0.24SC..EExtended strand (participates in β ladder)trans-96.2149.8-174-64174.8000112.3D44 T47 V51 M358D44-L49 PolarHBondContact N-O 3.22Å; T47-L49 PolarHBondContact O-N 2.66Å; T47-L49 PolarHBondContact OG1-N 3.33Å; L49-V51 HydrophobicContact CB-CG1 4.42Å; L49-M358 HydrophobicContact CD1-SD 4.3Å; L49-M358 HydrophobicContact CD2-CE 3.42Å; L49-M358 VanDerWaalsContact CD2-CE 3.42Å; L49-M358 HydrophobicContact CD2-SD 4.1Å; L49-M358 HydrophobicContact CG-CE 3.98Å; L49-M358 HydrophobicContact CG-SD 4.33Å
50K92.8Very high93.5Very high152 Ų15247.7 Ų47.766%0.66123%0.234SC*.EExtended strand (participates in β ladder)trans-79.9128.4162-70.1-178.1-177.5171.40109.1A42 L109A42-K50 WeakPolarHBondContact O-CA 3.11Å; K50-L109 HydrophobicContact CB-CB 4.22Å; K50-L109 HydrophobicContact CB-CD2 3.83Å; K50-L109 HydrophobicContact CD-CD2 4.28Å; K50-L109 WeakPolarHBondContact O-CB 3.36Å; K50-L109 PolarHBondContact O-N 3.37Å
51V94.9Very high93.4Very high0 Ų052.2 Ų52.20%026%0.255CS..EExtended strand (participates in β ladder)trans-123.5155.6-176.3-61.70000111.2Y25 S41 A42 D44 L49 V53 L88 V106 T107Y25-V51 HydrophobicContact CD1-CG2 3.92Å; Y25-V51 HydrophobicContact CE1-CG2 4.03Å; S41-V51 CarbonylContact C-O 3.47Å; S41-V51 VanDerWaalsContact CA-O 3.29Å; S41-V51 WeakPolarHBondContact CA-O 3.39Å; A42-V51 HydrophobicContact CB-CG2 4.04Å; A42-V51 PolarHBondContact N-O 3.41Å; A42-V51 PolarHBondContact O-N 2.82Å; D44-V51 HydrophobicContact CB-CG1 4.03Å; D44-V51 HydrophobicContact CB-CG2 4.26Å; L49-V51 HydrophobicContact CB-CG1 4.42Å; V51-V53 HydrophobicContact CG2-CG2 4.12Å; V51-L88 HydrophobicContact CG1-CD1 3.85Å; V51-V106 HydrophobicContact CB-CG1 3.71Å; V51-V106 HydrophobicContact CG1-CG1 4.12Å; V51-V106 HydrophobicContact CG2-CG1 3.81Å; V51-T107 WeakPolarHBondContact CA-O 3.34Å; V51-T107 WeakPolarHBondContact CB-O 3.24Å
52A94.3Very high93.3Very high11 Ų1153 Ų539%0.09126%0.26CS..EExtended strand (participates in β ladder)trans-98.4121.5167.200000108.9V39 C40 V106 T107 L109V39-A52 HydrophobicContact CG1-CB 4.09Å; C40-A52 CarbonylContact O-C 3.6Å; C40-A52 WeakPolarHBondContact O-CA 3.1Å; A52-V106 WeakPolarHBondContact O-CA 3.24Å; A52-T107 PolarHBondContact N-O 2.7Å; A52-T107 PolarHBondContact O-N 3.22Å; A52-L109 HydrophobicContact CB-CD1 4.05Å
53V95.8Very high93.1Very high0 Ų056.4 Ų56.40%028%0.277CS..EExtended strand (participates in β ladder)trans-105.3115.2174.8-170.80000108.2W19 V39 C40 A42 V51 F91 Y104 L105 V106W19-V53 VanDerWaalsContact CH2-O 3.27Å; W19-V53 WeakPolarHBondContact CH2-O 3.23Å; W19-V53 HydrophobicContact CZ3-CB 4.12Å; W19-V53 HydrophobicContact CZ3-CG1 3.84Å; W19-V53 WeakPolarHBondContact CZ3-O 3.38Å; V39-V53 WeakPolarHBondContact CA-O 3.4Å; C40-V53 PolarHBondContact N-O 3.32Å; C40-V53 PolarHBondContact O-N 3.43Å; A42-V53 HydrophobicContact CB-CG2 3.97Å; V51-V53 HydrophobicContact CG2-CG2 4.12Å; V53-F91 HydrophobicContact CG1-CE1 4.36Å; V53-F91 HydrophobicContact CG1-CZ 4.06Å; V53-Y104 HydrophobicContact CG1-CD1 4.23Å; V53-L105 CarbonylContact C-O 3.58Å; V53-L105 WeakPolarHBondContact CA-O 3.5Å; V53-V106 HydrophobicContact CG1-CG2 4.32Å; V53-V106 HydrophobicContact CG2-CG1 4.48Å; V53-V106 HydrophobicContact CG2-CG2 4.28Å
54K94Very high92.7Very high39 Ų3959 Ų5917%0.1729%0.294CS..EExtended strand (participates in β ladder)trans-102.3116.2177.1-178.1179.2178.8-173.80109.9S38 V39 L56 E72 Y104 L105S38-K54 CarbonylContact O-C 3.54Å; S38-K54 WeakPolarHBondContact O-CA 3.5Å; V39-K54 HydrophobicContact CG2-CB 4.09Å; V39-K54 HydrophobicContact CG2-CD 4.44Å; V39-K54 HydrophobicContact CG2-CG 3.98Å; K54-L56 HydrophobicContact CD-CD2 4.1Å; K54-L56 HydrophobicContact CG-CD2 4.21Å; K54-E72 IonicContact NZ-OE1 3.87Å; K54-E72 PolarHBondContact NZ-OE1 3.39Å; K54-E72 IonicContact NZ-OE2 2.98Å; K54-Y104 CarbonylContact O-C 3.59Å; K54-Y104 VanDerWaalsContact O-CA 3.32Å; K54-Y104 WeakPolarHBondContact O-CA 3.42Å; K54-L105 HydrophobicContact CB-CB 4.42Å; K54-L105 PolarHBondContact N-O 3.45Å; K54-L105 PolarHBondContact O-N 3.29Å
55K95.2Very high92.3Very high27 Ų2761.7 Ų61.712%0.11731%0.306CS..EExtended strand (participates in β ladder)trans-86119.9166.9-176176.5-175.4161.10109.2V18 W19 G37 S38 D102 Y104V18-K55 PolarHBondContact O-NZ 3.13Å; W19-K55 HydrophobicContact CD2-CB 4.35Å; W19-K55 HydrophobicContact CD2-CD 4.48Å; W19-K55 HydrophobicContact CE3-CB 4.25Å; W19-K55 HydrophobicContact CH2-CB 3.73Å; W19-K55 HydrophobicContact CZ2-CB 3.82Å; W19-K55 HydrophobicContact CZ3-CB 3.95Å; G37-K55 CarbonylContact C-O 3.51Å; G37-K55 WeakPolarHBondContact CA-O 3.44Å; S38-K55 PolarHBondContact N-O 3.27Å; S38-K55 PolarHBondContact O-N 2.59Å; K55-D102 VanDerWaalsContact CE-CG 3.42Å; K55-D102 VanDerWaalsContact CE-OD1 3.3Å; K55-D102 WeakPolarHBondContact CE-OD1 3.44Å; K55-D102 WeakPolarHBondContact CE-OD2 3.27Å; K55-D102 IonicContact NZ-OD1 2.68Å; K55-D102 IonicContact NZ-OD2 2.72Å; K55-D102 PolarHBondContact NZ-OD2 3.23Å; K55-Y104 HydrophobicContact CB-CD1 3.79Å; K55-Y104 HydrophobicContact CB-CE1 3.64Å; K55-Y104 HydrophobicContact CD-CE1 3.63Å; K55-Y104 WeakPolarHBondContact CD-OH 3.21Å; K55-Y104 WeakPolarHBondContact CE-OH 3.36Å; K55-Y104 HydrophobicContact CG-CD1 4.04Å; K55-Y104 HydrophobicContact CG-CE1 3.57Å; K55-Y104 PolarHBondContact NZ-OH 3.38Å
56L92.4Very high92.3Very high7 Ų755.9 Ų55.94%0.03728%0.279CS..EExtended strand (participates in β ladder)trans-71.3132177-62.3-172.3000111.1K54 R58 P59 T69 V103 L105K54-L56 HydrophobicContact CD-CD2 4.1Å; K54-L56 HydrophobicContact CG-CD2 4.21Å; L56-R58 PolarHBondContact O-N 3.48Å; L56-P59 HydrophobicContact CB-CB 4.23Å; L56-P59 HydrophobicContact CB-CG 4.44Å; L56-T69 HydrophobicContact CD1-CG2 3.58Å; L56-V103 HydrophobicContact CD1-CB 4.02Å; L56-V103 HydrophobicContact CD1-CG1 4.05Å; L56-V103 HydrophobicContact CG-CB 4.37Å; L56-V103 PolarHBondContact N-O 2.85Å; L56-L105 HydrophobicContact CD1-CD1 4.31Å; L56-L105 HydrophobicContact CD2-CD1 4.02Å; L56-L105 HydrophobicContact CG-CD1 4.36Å
57S88.1Confident92.3Very high55 Ų5551.3 Ų51.339%0.38526%0.259SS..SBendtrans-85111.3-178.8-72.60000110.8Y36 G37Y36-S57 PolarHBondContact O-N 2.8Å; G37-S57 WeakPolarHBondContact CA-OG 3.43Å
58R88.8Confident92.2Very high190 Ų19051.5 Ų51.572%0.71726%0.257SS*.SBendtrans48.756.7176.2-56.1-179.3-177.2170.30.7112.7L56 F60 Q61L56-R58 PolarHBondContact O-N 3.48Å; R58-F60 PolarHBondContact O-N 2.98Å; R58-Q61 HydrophobicContact CB-CB 4.09Å; R58-Q61 HydrophobicContact CB-CG 4.28Å; R58-Q61 VanDerWaalsContact CD-OE1 3.29Å; R58-Q61 WeakPolarHBondContact O-CG 3.42Å; R58-Q61 PolarHBondContact O-N 2.61Å
59P92.8Very high92.3Very high6 Ų650 Ų504%0.03924%0.239CC..THydrogen-bonded Turntrans-59.6-25.4-169.923.1-33.4000114L56 H65 A66 T69 N101L56-P59 HydrophobicContact CB-CB 4.23Å; L56-P59 HydrophobicContact CB-CG 4.44Å; P59-H65 CarbonylContact O-C 3.58Å; P59-H65 WeakPolarHBondContact O-CB 3.44Å; P59-H65 VanDerWaalsContact O-O 3.11Å; P59-A66 VanDerWaalsContact O-CA 3.28Å; P59-A66 WeakPolarHBondContact O-CA 3.42Å; P59-A66 PolarHBondContact O-N 3.45Å; P59-T69 WeakPolarHBondContact CA-OG1 3.34Å; P59-T69 HydrophobicContact CB-CG2 3.65Å; P59-T69 VanDerWaalsContact CB-OG1 3.22Å; P59-T69 WeakPolarHBondContact CB-OG1 3.38Å; P59-T69 PolarHBondContact O-OG1 3.39Å; P59-N101 WeakPolarHBondContact CG-O 3.48Å
60F95.6Very high92.5Very high26 Ų2648.1 Ų48.111%0.11423%0.229CC..THydrogen-bonded Turntrans-111.720.6-175.6-47.8-60.7000114R58 S62 A66 T69 F100 V103 I335 K339 T342R58-F60 PolarHBondContact O-N 2.98Å; F60-S62 VanDerWaalsContact C-N 3.29Å; F60-S62 PolarHBondContact O-N 3.45Å; F60-A66 HydrophobicContact CD1-CB 4.01Å; F60-T69 HydrophobicContact CE1-CG2 4.21Å; F60-T69 HydrophobicContact CZ-CG2 4.41Å; F60-F100 HydrophobicContact CE1-CE1 4.3Å; F60-F100 AromaticContact CE2-CD1 3.91Å; F60-F100 HydrophobicContact CE2-CD1 3.91Å; F60-F100 AromaticContact CE2-CE1 3.71Å; F60-F100 HydrophobicContact CE2-CE1 3.71Å; F60-F100 HydrophobicContact CE2-CG 4.47Å; F60-F100 HydrophobicContact CE2-CZ 4.11Å; F60-F100 AromaticContact CZ-CD1 3.95Å; F60-F100 HydrophobicContact CZ-CD1 3.95Å; F60-F100 AromaticContact CZ-CE1 3.32Å; F60-F100 HydrophobicContact CZ-CE1 3.32Å; F60-F100 AromaticContact CZ-CZ 3.74Å; F60-F100 HydrophobicContact CZ-CZ 3.74Å; F60-V103 HydrophobicContact CE2-CG2 4.42Å; F60-V103 HydrophobicContact CZ-CG2 4.08Å; F60-I335 HydrophobicContact CB-CG2 4.07Å; F60-I335 WeakPolarHBondContact O-CG2 3.34Å; F60-K339 HydrophobicContact CD1-CB 3.95Å; F60-K339 HydrophobicContact CD1-CG 4.14Å; F60-K339 HydrophobicContact CD2-CD 4.23Å; F60-K339 HydrophobicContact CD2-CG 4.15Å; F60-K339 HydrophobicContact CE1-CB 4.1Å; F60-K339 HydrophobicContact CE1-CG 4.14Å; F60-K339 HydrophobicContact CE2-CG 4.13Å; F60-K339 HydrophobicContact CG-CB 4.32Å; F60-K339 HydrophobicContact CG-CD 4.32Å; F60-K339 HydrophobicContact CG-CG 4.17Å; F60-K339 HydrophobicContact CZ-CG 4.14Å; F60-T342 HydrophobicContact CE1-CG2 4.33Å; F60-T342 HydrophobicContact CZ-CG2 4.2Å
61Q93.1Very high92.4Very high99 Ų9941.5 Ų41.546%0.46320%0.2SC..SBendtrans-70.1-22-17669179.70.800115R58 H65R58-Q61 HydrophobicContact CB-CB 4.09Å; R58-Q61 HydrophobicContact CB-CG 4.28Å; R58-Q61 VanDerWaalsContact CD-OE1 3.29Å; R58-Q61 WeakPolarHBondContact O-CG 3.42Å; R58-Q61 PolarHBondContact O-N 2.61Å; Q61-H65 HydrophobicContact CG-CB 4.02Å; Q61-H65 WeakPolarHBondContact CG-ND1 3.23Å; Q61-H65 PolarHBondContact NE2-CD2 2.89Å; Q61-H65 VanDerWaalsContact NE2-CD2 3.31Å; Q61-H65 PolarHBondContact NE2-CE1 2.85Å; Q61-H65 PolarHBondContact NE2-ND1 2.87Å; Q61-H65 PolarHBondContact NE2-NE2 3.35Å
62S93.3Very high92.3Very high39 Ų3942 Ų4227%0.27320%0.202SC..SBendtrans-155.8165.7173.1790000110.1F60 I64 H65 A66F60-S62 VanDerWaalsContact C-N 3.29Å; F60-S62 PolarHBondContact O-N 3.45Å; S62-I64 PolarHBondContact O-N 3.4Å; S62-H65 PolarHBondContact O-N 2.72Å; S62-H65 PolarHBondContact OG-ND1 2.85Å; S62-A66 PolarHBondContact O-N 2.72Å
63I92.9Very high92.3Very high76 Ų7641.6 Ų41.639%0.3920%0.198SC..Hα-helixtrans-52.5-43.4178.7-62.4172.5000111.3H65 A66 K67 I335I63-H65 VanDerWaalsContact C-N 3.34Å; I63-H65 PolarHBondContact O-N 3.4Å; I63-A66 PolarHBondContact O-N 3.17Å; I63-K67 WeakPolarHBondContact O-CB 3.45Å; I63-K67 PolarHBondContact O-N 2.99Å; I63-I335 HydrophobicContact CB-CG1 4.47Å; I63-I335 HydrophobicContact CG1-CD1 4.37Å; I63-I335 HydrophobicContact CG1-CG1 3.65Å
64I88.1Confident92.2Very high135 Ų13543.6 Ų43.669%0.69221%0.206SC*.Hα-helixtrans-61.9-41.1179.1-61.1173.4000111.5S62 R68S62-I64 PolarHBondContact O-N 3.4Å; I64-R68 VanDerWaalsContact O-CB 3.24Å; I64-R68 WeakPolarHBondContact O-CB 3.42Å; I64-R68 PolarHBondContact O-N 2.77Å; I64-R68 VanDerWaalsContact O-N 3.1Å
65H88.7Confident92.1Very high58 Ų5841.8 Ų41.827%0.26920%0.198SC..Hα-helixtrans-72.2-40.6179.2-65.386.8000111.4P59 Q61 S62 I63 R68 T69P59-H65 CarbonylContact O-C 3.58Å; P59-H65 WeakPolarHBondContact O-CB 3.44Å; P59-H65 VanDerWaalsContact O-O 3.11Å; Q61-H65 HydrophobicContact CG-CB 4.02Å; Q61-H65 WeakPolarHBondContact CG-ND1 3.23Å; Q61-H65 PolarHBondContact NE2-CD2 2.89Å; Q61-H65 VanDerWaalsContact NE2-CD2 3.31Å; Q61-H65 PolarHBondContact NE2-CE1 2.85Å; Q61-H65 PolarHBondContact NE2-ND1 2.87Å; Q61-H65 PolarHBondContact NE2-NE2 3.35Å; S62-H65 PolarHBondContact O-N 2.72Å; S62-H65 PolarHBondContact OG-ND1 2.85Å; I63-H65 VanDerWaalsContact C-N 3.34Å; I63-H65 PolarHBondContact O-N 3.4Å; H65-R68 PolarHBondContact O-N 2.69Å; H65-T69 WeakPolarHBondContact O-CB 3.35Å; H65-T69 PolarHBondContact O-N 3.04Å; H65-T69 PolarHBondContact O-OG1 3.47Å
66A94Very high92Very high0 Ų041 Ų410%020%0.195CC..Hα-helixtrans-64.6-48.7-179.900000111.1P59 F60 S62 I63 R68 T69 Y70 I335 W338P59-A66 VanDerWaalsContact O-CA 3.28Å; P59-A66 WeakPolarHBondContact O-CA 3.42Å; P59-A66 PolarHBondContact O-N 3.45Å; F60-A66 HydrophobicContact CD1-CB 4.01Å; S62-A66 PolarHBondContact O-N 2.72Å; I63-A66 PolarHBondContact O-N 3.17Å; A66-R68 VanDerWaalsContact C-N 3.33Å; A66-R68 PolarHBondContact O-N 3.26Å; A66-T69 WeakPolarHBondContact O-CB 3.49Å; A66-T69 PolarHBondContact O-N 3.33Å; A66-Y70 PolarHBondContact O-N 3.42Å; A66-I335 HydrophobicContact CB-CG2 4.38Å; A66-W338 HydrophobicContact CB-CB 3.64Å; A66-W338 HydrophobicContact CB-CG 4.21Å
67K92.4Very high92Very high40 Ų4043.1 Ų43.117%0.17420%0.204CC..Hα-helixtrans-59.9-41.6174.7-175.4170.9-179.7171.40112.2I63 Y70 R71 E329 W338I63-K67 WeakPolarHBondContact O-CB 3.45Å; I63-K67 PolarHBondContact O-N 2.99Å; K67-Y70 PolarHBondContact O-N 2.74Å; K67-R71 WeakPolarHBondContact O-CB 3.32Å; K67-R71 PolarHBondContact O-N 3.02Å; K67-E329 WeakPolarHBondContact CE-OE2 3.38Å; K67-E329 PolarHBondContact NZ-O 3.48Å; K67-E329 IonicContact NZ-OE2 2.64Å; K67-E329 PolarHBondContact NZ-OE2 2.94Å; K67-W338 HydrophobicContact CB-CD2 4.11Å; K67-W338 HydrophobicContact CB-CG 4.41Å; K67-W338 HydrophobicContact CB-CZ2 4.26Å; K67-W338 HydrophobicContact CD-CH2 4.38Å; K67-W338 HydrophobicContact CD-CZ2 3.76Å; K67-W338 HydrophobicContact CG-CD2 4.41Å; K67-W338 HydrophobicContact CG-CH2 4.19Å; K67-W338 HydrophobicContact CG-CZ2 3.83Å
68R88.4Confident92.3Very high29 Ų2942.4 Ų42.411%0.10920%0.195CC..Hα-helixtrans-62.6-43.1175.8178.6176.6179.4157.13.9112.3Y36 I64 H65 A66 R71 E72 D169 G171Y36-R68 PolarHBondContact OH-NH1 2.85Å; I64-R68 VanDerWaalsContact O-CB 3.24Å; I64-R68 WeakPolarHBondContact O-CB 3.42Å; I64-R68 PolarHBondContact O-N 2.77Å; I64-R68 VanDerWaalsContact O-N 3.1Å; H65-R68 PolarHBondContact O-N 2.69Å; A66-R68 VanDerWaalsContact C-N 3.33Å; A66-R68 PolarHBondContact O-N 3.26Å; R68-R71 PolarHBondContact O-N 2.7Å; R68-E72 WeakPolarHBondContact O-CB 3.32Å; R68-E72 PolarHBondContact O-N 2.94Å; R68-D169 IonicContact NH2-OD1 3.63Å; R68-G171 PolarHBondContact NE-O 3.47Å
69T92.3Very high92.5Very high9 Ų933.6 Ų33.66%0.05516%0.161CC..Hα-helixtrans-59.8-49177.5-59.50000110.3L56 P59 F60 H65 A66 R71 E72 L73 V103 T342L56-T69 HydrophobicContact CD1-CG2 3.58Å; P59-T69 WeakPolarHBondContact CA-OG1 3.34Å; P59-T69 HydrophobicContact CB-CG2 3.65Å; P59-T69 VanDerWaalsContact CB-OG1 3.22Å; P59-T69 WeakPolarHBondContact CB-OG1 3.38Å; P59-T69 PolarHBondContact O-OG1 3.39Å; F60-T69 HydrophobicContact CE1-CG2 4.21Å; F60-T69 HydrophobicContact CZ-CG2 4.41Å; H65-T69 WeakPolarHBondContact O-CB 3.35Å; H65-T69 PolarHBondContact O-N 3.04Å; H65-T69 PolarHBondContact O-OG1 3.47Å; A66-T69 WeakPolarHBondContact O-CB 3.49Å; A66-T69 PolarHBondContact O-N 3.33Å; T69-R71 PolarHBondContact O-N 3Å; T69-E72 PolarHBondContact O-N 3.31Å; T69-L73 PolarHBondContact O-N 3.24Å; T69-L73 VanDerWaalsContact O-N 3.09Å; T69-V103 HydrophobicContact CG2-CG2 4.4Å; T69-T342 HydrophobicContact CG2-CG2 3.93Å
70Y95Very high92.5Very high12 Ų1241.2 Ų41.25%0.04719%0.194CC..Hα-helixtrans-57.5-49.1176.3-178.8-108000111.9A66 K67 L73 R74 F328 W338 L341 E345A66-Y70 PolarHBondContact O-N 3.42Å; K67-Y70 PolarHBondContact O-N 2.74Å; Y70-L73 PolarHBondContact O-N 3.45Å; Y70-R74 HydrophobicContact CD1-CG 4.14Å; Y70-R74 HydrophobicContact CD2-CG 4.33Å; Y70-R74 HydrophobicContact CE1-CG 3.7Å; Y70-R74 HydrophobicContact CE2-CG 3.9Å; Y70-R74 HydrophobicContact CG-CG 4.45Å; Y70-R74 WeakPolarHBondContact O-CB 3.45Å; Y70-R74 WeakPolarHBondContact O-CG 3.35Å; Y70-R74 PolarHBondContact O-N 2.93Å; Y70-R74 PolarHBondContact OH-NH1 2.81Å; Y70-F328 AromaticContact CD1-CD2 3.78Å; Y70-F328 HydrophobicContact CD1-CD2 3.78Å; Y70-F328 AromaticContact CD1-CE2 3.98Å; Y70-F328 HydrophobicContact CD1-CE2 3.98Å; Y70-F328 HydrophobicContact CD1-CG 4.15Å; Y70-F328 HydrophobicContact CE1-CB 4.09Å; Y70-F328 AromaticContact CE1-CD1 3.94Å; Y70-F328 HydrophobicContact CE1-CD1 3.94Å; Y70-F328 AromaticContact CE1-CD2 3.78Å; Y70-F328 HydrophobicContact CE1-CD2 3.78Å; Y70-F328 HydrophobicContact CE1-CE1 4.32Å; Y70-F328 HydrophobicContact CE1-CE2 4.19Å; Y70-F328 AromaticContact CE1-CG 3.65Å; Y70-F328 HydrophobicContact CE1-CG 3.65Å; Y70-F328 HydrophobicContact CE1-CZ 4.44Å; Y70-W338 AromaticContact CD1-CE3 3.85Å; Y70-W338 HydrophobicContact CD1-CE3 3.85Å; Y70-W338 AromaticContact CD1-CZ3 3.54Å; Y70-W338 HydrophobicContact CD1-CZ3 3.54Å; Y70-W338 AromaticContact CE1-CZ3 3.98Å; Y70-W338 HydrophobicContact CE1-CZ3 3.98Å; Y70-W338 AromaticContact CG-CE3 3.97Å; Y70-W338 HydrophobicContact CG-CE3 3.97Å; Y70-W338 HydrophobicContact CG-CZ3 4.14Å; Y70-L341 HydrophobicContact CD2-CB 3.81Å; Y70-L341 HydrophobicContact CE2-CB 3.55Å; Y70-E345 HydrophobicContact CD2-CG 4.26Å; Y70-E345 HydrophobicContact CE2-CG 3.52Å
71R91.4Very high92.5Very high13 Ų1340.9 Ų40.95%0.04919%0.193CC..Hα-helixtrans-60.8-46.9179.1179.4171.671.7-158.4-2113.1K67 R68 T69 L73 R74 L75 G171 A173 F328 E329K67-R71 WeakPolarHBondContact O-CB 3.32Å; K67-R71 PolarHBondContact O-N 3.02Å; R68-R71 PolarHBondContact O-N 2.7Å; T69-R71 PolarHBondContact O-N 3Å; R71-L73 VanDerWaalsContact C-N 3.3Å; R71-L73 PolarHBondContact O-N 3.09Å; R71-R74 PolarHBondContact O-N 2.81Å; R71-L75 HydrophobicContact CG-CD1 3.63Å; R71-L75 HydrophobicContact CG-CG 4.21Å; R71-L75 WeakPolarHBondContact O-CB 3.5Å; R71-L75 VanDerWaalsContact O-CG 3.3Å; R71-L75 WeakPolarHBondContact O-CG 3.38Å; R71-L75 PolarHBondContact O-N 3.09Å; R71-G171 PolarHBondContact NH2-O 3.28Å; R71-A173 VanDerWaalsContact CD-O 3.23Å; R71-A173 WeakPolarHBondContact CD-O 3.3Å; R71-A173 VanDerWaalsContact CZ-O 3.29Å; R71-A173 PolarHBondContact NE-O 2.87Å; R71-A173 VanDerWaalsContact NE-O 3.13Å; R71-A173 PolarHBondContact NH1-O 3.44Å; R71-F328 HydrophobicContact CB-CE2 4.05Å; R71-F328 HydrophobicContact CB-CZ 4.27Å; R71-F328 HydrophobicContact CG-CE2 4.33Å; R71-F328 HydrophobicContact CG-CZ 4.2Å; R71-E329 WeakPolarHBondContact CD-OE1 3.38Å; R71-E329 IonicContact CZ-OE1 2.99Å; R71-E329 IonicContact NE-OE1 3.55Å; R71-E329 IonicContact NH1-OE1 3.39Å; R71-E329 PolarHBondContact NH1-OE1 3.39Å; R71-E329 IonicContact NH1-OE2 2.77Å
72E91Very high92.6Very high11 Ų1141.3 Ų41.35%0.05120%0.195CC..Hα-helixtrans-59.9-43.7179.7-175.3173.217400110.6K54 R68 T69 L76 L105K54-E72 IonicContact NZ-OE1 3.87Å; K54-E72 PolarHBondContact NZ-OE1 3.39Å; K54-E72 IonicContact NZ-OE2 2.98Å; R68-E72 WeakPolarHBondContact O-CB 3.32Å; R68-E72 PolarHBondContact O-N 2.94Å; T69-E72 PolarHBondContact O-N 3.31Å; E72-L76 HydrophobicContact CG-CD1 3.98Å; E72-L76 WeakPolarHBondContact O-CB 3.49Å; E72-L76 VanDerWaalsContact O-CG 3.24Å; E72-L76 WeakPolarHBondContact O-CG 3.31Å; E72-L76 PolarHBondContact O-N 3.26Å; E72-L105 HydrophobicContact CG-CD1 4.35Å
73L94.3Very high92.8Very high2 Ų239.9 Ų39.91%0.0118%0.184CC..Hα-helixtrans-63.2-48.3175.8178.356.4000112.2T69 Y70 R71 L75 L76 K77 L87 V90 L105 T342 E345 V346T69-L73 PolarHBondContact O-N 3.24Å; T69-L73 VanDerWaalsContact O-N 3.09Å; Y70-L73 PolarHBondContact O-N 3.45Å; R71-L73 VanDerWaalsContact C-N 3.3Å; R71-L73 PolarHBondContact O-N 3.09Å; L73-L75 VanDerWaalsContact C-N 3.34Å; L73-L75 PolarHBondContact O-N 2.7Å; L73-L76 PolarHBondContact O-N 3.49Å; L73-K77 HydrophobicContact CD1-CD 4.1Å; L73-K77 HydrophobicContact CD1-CG 4.18Å; L73-K77 HydrophobicContact CG-CD 4.26Å; L73-K77 WeakPolarHBondContact O-CG 3.21Å; L73-K77 PolarHBondContact O-N 3.42Å; L73-L87 HydrophobicContact CD1-CD2 3.71Å; L73-V90 HydrophobicContact CD1-CB 4.2Å; L73-V90 HydrophobicContact CD1-CG1 4.17Å; L73-V90 HydrophobicContact CD1-CG2 3.88Å; L73-L105 HydrophobicContact CD1-CD2 3.95Å; L73-T342 HydrophobicContact CD2-CG2 4.05Å; L73-E345 HydrophobicContact CD2-CB 3.55Å; L73-E345 HydrophobicContact CG-CB 4.13Å; L73-V346 HydrophobicContact CD2-CG2 3.76Å
74R93.9Very high92.9Very high42 Ų4236.3 Ų36.316%0.15817%0.166CC..Hα-helixtrans-59-44.1178.4-77.9-70.3-55.7-86.6-6.9112.3Y70 R71 K77 H78 Y324 D325 E345Y70-R74 HydrophobicContact CD1-CG 4.14Å; Y70-R74 HydrophobicContact CD2-CG 4.33Å; Y70-R74 HydrophobicContact CE1-CG 3.7Å; Y70-R74 HydrophobicContact CE2-CG 3.9Å; Y70-R74 HydrophobicContact CG-CG 4.45Å; Y70-R74 WeakPolarHBondContact O-CB 3.45Å; Y70-R74 WeakPolarHBondContact O-CG 3.35Å; Y70-R74 PolarHBondContact O-N 2.93Å; Y70-R74 PolarHBondContact OH-NH1 2.81Å; R71-R74 PolarHBondContact O-N 2.81Å; R74-K77 PolarHBondContact O-N 3.33Å; R74-H78 WeakPolarHBondContact O-CB 3.32Å; R74-H78 PolarHBondContact O-N 3.06Å; R74-H78 VanDerWaalsContact O-N 3.14Å; R74-Y324 HydrophobicContact CB-CE2 4.27Å; R74-Y324 WeakPolarHBondContact CB-OH 3.34Å; R74-D325 PolarHBondContact NH2-O 2.96Å; R74-E345 WeakPolarHBondContact CD-OE1 3.4Å; R74-E345 HydrophobicContact CG-CG 4.43Å; R74-E345 IonicContact NE-OE1 2.95Å
75L92.4Very high93.2Very high2 Ų230.3 Ų30.31%0.0114%0.135CC..Hα-helixtrans-65.4-48.6178-72.8171.4000111R71 L73 K77 H78 M79 I147 F170 A173 Y324R71-L75 HydrophobicContact CG-CD1 3.63Å; R71-L75 HydrophobicContact CG-CG 4.21Å; R71-L75 WeakPolarHBondContact O-CB 3.5Å; R71-L75 VanDerWaalsContact O-CG 3.3Å; R71-L75 WeakPolarHBondContact O-CG 3.38Å; R71-L75 PolarHBondContact O-N 3.09Å; L73-L75 VanDerWaalsContact C-N 3.34Å; L73-L75 PolarHBondContact O-N 2.7Å; L75-K77 VanDerWaalsContact C-N 3.26Å; L75-K77 PolarHBondContact O-N 3.07Å; L75-H78 PolarHBondContact O-N 2.85Å; L75-M79 HydrophobicContact CD2-CE 4.14Å; L75-M79 VanDerWaalsContact O-CG 3.3Å; L75-M79 WeakPolarHBondContact O-CG 3.29Å; L75-M79 PolarHBondContact O-N 2.7Å; L75-I147 HydrophobicContact CD2-CD1 3.42Å; L75-I147 VanDerWaalsContact CD2-CD1 3.42Å; L75-I147 HydrophobicContact CD2-CG1 4.02Å; L75-I147 HydrophobicContact CD2-CG2 4.34Å; L75-F170 HydrophobicContact CB-CB 4.13Å; L75-F170 HydrophobicContact CB-CG 4.41Å; L75-F170 HydrophobicContact CD1-CB 3.72Å; L75-F170 HydrophobicContact CD1-CG 4.44Å; L75-A173 HydrophobicContact CD1-CB 3.86Å; L75-Y324 HydrophobicContact CD2-CD1 4.13Å; L75-Y324 HydrophobicContact CD2-CE1 3.58Å; L75-Y324 HydrophobicContact CD2-CE2 4.18Å; L75-Y324 HydrophobicContact CG-CE1 4.4Å
76L93.4Very high93.3Very high10 Ų1028.2 Ų28.25%0.05213%0.129CC..Hα-helixtrans-62.1-31.9178.9-72.5170.9000113.2E72 L73 I85 L87 L105 F170E72-L76 HydrophobicContact CG-CD1 3.98Å; E72-L76 WeakPolarHBondContact O-CB 3.49Å; E72-L76 VanDerWaalsContact O-CG 3.24Å; E72-L76 WeakPolarHBondContact O-CG 3.31Å; E72-L76 PolarHBondContact O-N 3.26Å; L73-L76 PolarHBondContact O-N 3.49Å; L76-I85 HydrophobicContact CD2-CG2 3.76Å; L76-L87 HydrophobicContact CB-CB 4.12Å; L76-L87 HydrophobicContact CB-CD1 4.35Å; L76-L87 HydrophobicContact CB-CD2 4.45Å; L76-L87 HydrophobicContact CD1-CD1 4.37Å; L76-L87 PolarHBondContact O-N 2.98Å; L76-L105 HydrophobicContact CD1-CD1 3.76Å; L76-F170 HydrophobicContact CD2-CD2 4.38Å
77K93.1Very high93.3Very high52 Ų5228.8 Ų28.823%0.22613%0.132CC..Hα-helixtrans-69.8-32.2172.6-74.8-179.568.6172.90112.8L73 R74 L75 L87 E345 S348 F349L73-K77 HydrophobicContact CD1-CD 4.1Å; L73-K77 HydrophobicContact CD1-CG 4.18Å; L73-K77 HydrophobicContact CG-CD 4.26Å; L73-K77 WeakPolarHBondContact O-CG 3.21Å; L73-K77 PolarHBondContact O-N 3.42Å; R74-K77 PolarHBondContact O-N 3.33Å; L75-K77 VanDerWaalsContact C-N 3.26Å; L75-K77 PolarHBondContact O-N 3.07Å; K77-L87 HydrophobicContact CG-CD2 3.73Å; K77-E345 WeakPolarHBondContact CE-OE2 3.46Å; K77-E345 PolarHBondContact NZ-O 2.96Å; K77-E345 IonicContact NZ-OE2 3.53Å; K77-E345 PolarHBondContact NZ-OE2 2.98Å; K77-S348 PolarHBondContact NZ-OG 3.27Å; K77-F349 HydrophobicContact CD-CD2 4.1Å; K77-F349 HydrophobicContact CG-CD2 3.94Å; K77-F349 HydrophobicContact CG-CE2 4.19Å
78H93Very high93.4Very high40 Ų4028.3 Ų28.319%0.18513%0.132CC..Hα-helixtrans-80.9-35.6-177.8-167.880.2000112.9R74 L75 K80 E322 P323 Y324R74-H78 WeakPolarHBondContact O-CB 3.32Å; R74-H78 PolarHBondContact O-N 3.06Å; R74-H78 VanDerWaalsContact O-N 3.14Å; L75-H78 PolarHBondContact O-N 2.85Å; H78-K80 PolarHBondContact O-N 2.89Å; H78-E322 PolarHBondContact CE1-O 3.37Å; H78-E322 VanDerWaalsContact CE1-O 3.22Å; H78-E322 PolarHBondContact NE2-O 3.38Å; H78-P323 PolarHBondContact CE1-O 3.39Å; H78-Y324 HydrophobicContact CB-CD2 3.9Å; H78-Y324 HydrophobicContact CB-CE2 4.19Å; H78-Y324 AromaticContact CG-CD2 3.59Å; H78-Y324 AromaticContact ND1-CD2 3.7Å
79M93.3Very high93.8Very high4 Ų427.9 Ų27.92%0.0213%0.132CC..  trans-71.6118.8-175.6-64.5-56.8138.100112L75 V84 Y141 I142 I147 F170L75-M79 HydrophobicContact CD2-CE 4.14Å; L75-M79 VanDerWaalsContact O-CG 3.3Å; L75-M79 WeakPolarHBondContact O-CG 3.29Å; L75-M79 PolarHBondContact O-N 2.7Å; M79-V84 HydrophobicContact CB-CG1 3.77Å; M79-V84 HydrophobicContact CG-CG1 3.75Å; M79-V84 HydrophobicContact SD-CG1 4.09Å; M79-Y141 HydrophobicContact SD-CD1 4.07Å; M79-Y141 HydrophobicContact SD-CE1 3.72Å; M79-I142 HydrophobicContact SD-CG1 4.24Å; M79-I147 HydrophobicContact CE-CD1 3.3Å; M79-F170 HydrophobicContact CG-CE2 4.2Å; M79-F170 HydrophobicContact CG-CZ 4.18Å
80K93.9Very high94Very high167 Ų16727.8 Ų27.873%0.72613%0.131SC*.  trans-136.576.9177.6-64-179-176.9179.40109.4H78 Y141H78-K80 PolarHBondContact O-N 2.89Å; K80-Y141 PolarHBondContact N-OH 3.35Å; K80-Y141 PolarHBondContact O-OH 3.09Å
81H95.3Very high94.1Very high18 Ų1827.9 Ų27.98%0.08313%0.132CC..  trans-151.4142.4-176.6-176.9-82.2000109.9N83 V84 R137 Y141H81-N83 VanDerWaalsContact C-N 3.31Å; H81-N83 PolarHBondContact CE1-OD1 3.28Å; H81-N83 PolarHBondContact ND1-N 3.14Å; H81-N83 PolarHBondContact O-N 3Å; H81-V84 HydrophobicContact CB-CB 4.08Å; H81-V84 HydrophobicContact CB-CG2 4.02Å; H81-V84 PolarHBondContact O-N 3.34Å; H81-V84 VanDerWaalsContact O-N 3.09Å; H81-R137 PolarHBondContact CE1-NH1 3.37Å; H81-Y141 HydrophobicContact CB-CD1 3.72Å; H81-Y141 HydrophobicContact CB-CD2 3.88Å; H81-Y141 HydrophobicContact CB-CE1 3.96Å; H81-Y141 HydrophobicContact CB-CE2 4.07Å; H81-Y141 HydrophobicContact CB-CG 3.7Å; H81-Y141 AromaticContact CD2-CD2 3.52Å; H81-Y141 AromaticContact CD2-CG 3.6Å; H81-Y141 AromaticContact CG-CD2 4Å; H81-Y141 AromaticContact CG-CG 3.78Å
82E94.7Very high94.4Very high108 Ų10828 Ų2851%0.50513%0.134SC..THydrogen-bonded Turntrans-62.4-38.1-174.4-62.8172.7118.800112.5V84 R137 K166E82-V84 VanDerWaalsContact C-N 3.31Å; E82-V84 PolarHBondContact O-N 3.49Å; E82-R137 IonicContact OE2-CZ 3.89Å; E82-R137 VanDerWaalsContact OE2-CZ 3.32Å; E82-R137 IonicContact OE2-NH1 3.72Å; E82-R137 PolarHBondContact OE2-NH1 3.38Å; E82-R137 IonicContact OE2-NH2 3.73Å; E82-R137 PolarHBondContact OE2-NH2 2.97Å; E82-K166 WeakPolarHBondContact O-CG 3.26Å; E82-K166 PolarHBondContact O-NZ 2.95Å
83N96.9Very high94.7Very high10 Ų1028.5 Ų28.55%0.05314%0.138CC..THydrogen-bonded Turntrans-89.113.3178.1-49.9112.8000115H81 Q134 R137 L165 I167H81-N83 VanDerWaalsContact C-N 3.31Å; H81-N83 PolarHBondContact CE1-OD1 3.28Å; H81-N83 PolarHBondContact ND1-N 3.14Å; H81-N83 PolarHBondContact O-N 3Å; N83-Q134 VanDerWaalsContact CB-O 3.27Å; N83-Q134 WeakPolarHBondContact CB-O 3.27Å; N83-Q134 WeakPolarHBondContact ND2-CB 3.4Å; N83-Q134 PolarHBondContact ND2-OE1 2.81Å; N83-Q134 VanDerWaalsContact ND2-OE1 3.14Å; N83-R137 WeakPolarHBondContact OD1-CD 3.15Å; N83-R137 PolarHBondContact OD1-NH1 2.83Å; N83-L165 VanDerWaalsContact CA-O 3.24Å; N83-L165 WeakPolarHBondContact CA-O 3.49Å; N83-L165 PolarHBondContact ND2-O 3.19Å; N83-L165 VanDerWaalsContact ND2-O 3.08Å; N83-I167 WeakPolarHBondContact O-CG1 3.26Å; N83-I167 PolarHBondContact O-N 3.28Å
84V96.1Very high94.8Very high1 Ų129 Ų291%0.00614%0.142CC..BIsolated β-bridgetrans-128.1137.3177.1-1770000109.7M79 H81 E82 G86 Y141 I142 F170M79-V84 HydrophobicContact CB-CG1 3.77Å; M79-V84 HydrophobicContact CG-CG1 3.75Å; M79-V84 HydrophobicContact SD-CG1 4.09Å; H81-V84 HydrophobicContact CB-CB 4.08Å; H81-V84 HydrophobicContact CB-CG2 4.02Å; H81-V84 PolarHBondContact O-N 3.34Å; H81-V84 VanDerWaalsContact O-N 3.09Å; E82-V84 VanDerWaalsContact C-N 3.31Å; E82-V84 PolarHBondContact O-N 3.49Å; V84-G86 PolarHBondContact O-N 3.46Å; V84-Y141 HydrophobicContact CG2-CD1 4.44Å; V84-I142 HydrophobicContact CG1-CD1 4.36Å; V84-I142 HydrophobicContact CG1-CG1 4.42Å; V84-I142 HydrophobicContact CG2-CD1 3.89Å; V84-I142 HydrophobicContact CG2-CG1 3.94Å; V84-F170 HydrophobicContact CG1-CE2 3.67Å; V84-F170 HydrophobicContact CG1-CZ 3.39Å
85I93Very high94.8Very high8 Ų830.9 Ų30.94%0.04116%0.158CC..  trans-67.1123.9177.6-16268000110.8L76 T107 H108 K166 I167 L168 F170L76-I85 HydrophobicContact CD2-CG2 3.76Å; I85-T107 HydrophobicContact CG1-CG2 3.96Å; I85-H108 HydrophobicContact CD1-CB 4.48Å; I85-K166 HydrophobicContact CD1-CD 4.03Å; I85-I167 WeakPolarHBondContact CB-O 3.45Å; I85-I167 VanDerWaalsContact CG2-O 3.28Å; I85-I167 WeakPolarHBondContact CG2-O 3.28Å; I85-I167 PolarHBondContact N-O 2.92Å; I85-L168 HydrophobicContact CB-CD2 3.69Å; I85-L168 HydrophobicContact CD1-CD2 4.07Å; I85-L168 HydrophobicContact CG1-CD2 3.95Å; I85-L168 HydrophobicContact CG2-CD2 4.06Å; I85-F170 HydrophobicContact CG2-CD2 4.4Å; I85-F170 HydrophobicContact CG2-CE2 4.02Å
86G92Very high94.9Very high15 Ų1532.3 Ų32.316%0.15517%0.169CC..  trans-108.2164.7173.800000112.3V84 T107V84-G86 PolarHBondContact O-N 3.46Å; G86-T107 WeakPolarHBondContact O-CG2 3.37Å
87L94.1Very high95.1Very high12 Ų1234.1 Ų34.16%0.06318%0.178CC..  trans-88.7124.3178.8-159.862.2000111.4L73 L76 K77 D89 V90 L105 T107 F349L73-L87 HydrophobicContact CD1-CD2 3.71Å; L76-L87 HydrophobicContact CB-CB 4.12Å; L76-L87 HydrophobicContact CB-CD1 4.35Å; L76-L87 HydrophobicContact CB-CD2 4.45Å; L76-L87 HydrophobicContact CD1-CD1 4.37Å; L76-L87 PolarHBondContact O-N 2.98Å; K77-L87 HydrophobicContact CG-CD2 3.73Å; L87-D89 VanDerWaalsContact CD1-O 3.32Å; L87-D89 WeakPolarHBondContact CD1-O 3.47Å; L87-V90 HydrophobicContact CD2-CB 3.99Å; L87-V90 HydrophobicContact CD2-CG1 3.94Å; L87-L105 HydrophobicContact CD1-CB 4.04Å; L87-L105 HydrophobicContact CD1-CD2 4.07Å; L87-T107 HydrophobicContact CD1-CG2 4.49Å; L87-F349 HydrophobicContact CB-CE2 4.17Å; L87-F349 HydrophobicContact CB-CZ 4.36Å; L87-F349 HydrophobicContact CD2-CD2 3.99Å; L87-F349 HydrophobicContact CD2-CE2 3.64Å; L87-F349 HydrophobicContact CD2-CZ 4.22Å; L87-F349 HydrophobicContact CG-CE2 4Å; L87-F349 HydrophobicContact CG-CZ 4.12Å
88L94.5Very high95.1Very high30 Ų3038.8 Ų38.816%0.15720%0.201CC..SBendtrans-89-38.5172.2-67.8179.6000111.9V51 V106 P352V51-L88 HydrophobicContact CG1-CD1 3.85Å; L88-V106 HydrophobicContact CB-CG1 4.33Å; L88-V106 WeakPolarHBondContact CB-O 3.46Å; L88-V106 PolarHBondContact N-O 2.92Å; L88-P352 HydrophobicContact CD2-CG 4.17Å
89D96.1Very high95.3Very high20 Ų2041.8 Ų41.811%0.10722%0.215CC..EExtended strand (participates in β ladder)trans-155.3156.6178.4-159.711000110.6R24 Y25 L87 V106R24-D89 IonicContact CZ-OD2 3.53Å; R24-D89 IonicContact NH1-OD2 3.52Å; R24-D89 PolarHBondContact NH1-OD2 3.37Å; Y25-D89 WeakPolarHBondContact OH-CB 3.42Å; Y25-D89 VanDerWaalsContact OH-CG 3.26Å; Y25-D89 PolarHBondContact OH-OD2 2.89Å; L87-D89 VanDerWaalsContact CD1-O 3.32Å; L87-D89 WeakPolarHBondContact CD1-O 3.47Å; D89-V106 HydrophobicContact CB-CB 3.75Å; D89-V106 HydrophobicContact CB-CG1 4.43Å; D89-V106 HydrophobicContact CB-CG2 3.85Å; D89-V106 PolarHBondContact N-O 2.98Å; D89-V106 WeakPolarHBondContact O-CB 3.28Å; D89-V106 PolarHBondContact O-N 3.4Å
90V97.3Very high95.4Very high7 Ų741.6 Ų41.64%0.04221%0.214CC..EExtended strand (participates in β ladder)trans-142.9135.1169.153.30000108.8L73 L87 V103 Y104 L105 V346 F349L73-V90 HydrophobicContact CD1-CB 4.2Å; L73-V90 HydrophobicContact CD1-CG1 4.17Å; L73-V90 HydrophobicContact CD1-CG2 3.88Å; L87-V90 HydrophobicContact CD2-CB 3.99Å; L87-V90 HydrophobicContact CD2-CG1 3.94Å; V90-V103 HydrophobicContact CG2-CG1 4.25Å; V90-Y104 WeakPolarHBondContact CA-O 3.42Å; V90-Y104 WeakPolarHBondContact CG2-O 3.46Å; V90-L105 HydrophobicContact CB-CD2 4.38Å; V90-L105 HydrophobicContact CG2-CD2 3.92Å; V90-V346 HydrophobicContact CG2-CB 4.4Å; V90-V346 HydrophobicContact CG2-CG1 4.21Å; V90-V346 HydrophobicContact CG2-CG2 3.79Å; V90-F349 HydrophobicContact CG1-CB 3.45Å; V90-F349 VanDerWaalsContact CG1-CB 3.45Å; V90-F349 HydrophobicContact CG1-CD1 3.79Å; V90-F349 HydrophobicContact CG1-CD2 3.8Å; V90-F349 HydrophobicContact CG1-CG 3.38Å
91F97.5Very high95.5Very high14 Ų1438.4 Ų38.46%0.06121%0.205CC..EExtended strand (participates in β ladder)trans-148.6163.6-177.762.7-98000113.1F9 V21 P22 Y25 V53 Y104 V106F9-F91 AromaticContact CE1-CD2 3.79Å; F9-F91 HydrophobicContact CE1-CD2 3.79Å; F9-F91 HydrophobicContact CE1-CE2 4.26Å; F9-F91 HydrophobicContact CZ-CD2 4.39Å; V21-F91 HydrophobicContact CB-CE2 4.1Å; V21-F91 HydrophobicContact CB-CZ 3.93Å; V21-F91 HydrophobicContact CG1-CE2 3.96Å; V21-F91 HydrophobicContact CG1-CZ 3.8Å; P22-F91 VanDerWaalsContact CD-CZ 3.48Å; P22-F91 HydrophobicContact CG-CD1 4.15Å; P22-F91 HydrophobicContact CG-CD2 4.13Å; P22-F91 HydrophobicContact CG-CE1 4.35Å; P22-F91 HydrophobicContact CG-CE2 4.33Å; P22-F91 HydrophobicContact CG-CG 4.03Å; P22-F91 HydrophobicContact CG-CZ 4.44Å; Y25-F91 AromaticContact CD2-CE1 3.94Å; Y25-F91 HydrophobicContact CD2-CE1 3.94Å; Y25-F91 HydrophobicContact CD2-CZ 4.36Å; Y25-F91 HydrophobicContact CE2-CD1 4.03Å; Y25-F91 AromaticContact CE2-CE1 3.56Å; Y25-F91 HydrophobicContact CE2-CE1 3.56Å; Y25-F91 HydrophobicContact CE2-CZ 4.4Å; V53-F91 HydrophobicContact CG1-CE1 4.36Å; V53-F91 HydrophobicContact CG1-CZ 4.06Å; F91-Y104 AromaticContact CD2-CD2 3.78Å; F91-Y104 HydrophobicContact CD2-CD2 3.78Å; F91-Y104 AromaticContact CD2-CG 3.92Å; F91-Y104 HydrophobicContact CD2-CG 3.92Å; F91-Y104 AromaticContact CE2-CD1 3.89Å; F91-Y104 HydrophobicContact CE2-CD1 3.89Å; F91-Y104 AromaticContact CE2-CD2 3.47Å; F91-Y104 HydrophobicContact CE2-CD2 3.47Å; F91-Y104 VanDerWaalsContact CE2-CD2 3.47Å; F91-Y104 HydrophobicContact CE2-CE2 4.22Å; F91-Y104 AromaticContact CE2-CG 3.28Å; F91-Y104 HydrophobicContact CE2-CG 3.28Å; F91-Y104 HydrophobicContact CZ-CD1 4.05Å; F91-Y104 HydrophobicContact CZ-CD2 4.34Å; F91-Y104 AromaticContact CZ-CG 3.69Å; F91-Y104 HydrophobicContact CZ-CG 3.69Å; F91-Y104 PolarHBondContact N-O 3.16Å; F91-Y104 PolarHBondContact O-N 3.44Å; F91-V106 HydrophobicContact CD1-CG2 4.08Å; F91-V106 HydrophobicContact CE1-CG2 3.57Å
92T97.6Very high95.5Very high15 Ų1539.7 Ų39.79%0.09221%0.212CC..  trans-138.8144.5168.7-175.20000109.3F9 A94 F100 D102 Y343 V346F9-T92 WeakPolarHBondContact CZ-O 3.41Å; T92-A94 HydrophobicContact CG2-CB 4.07Å; T92-A94 PolarHBondContact O-N 2.91Å; T92-A94 PolarHBondContact OG1-N 3.32Å; T92-F100 HydrophobicContact CG2-CD2 3.88Å; T92-F100 HydrophobicContact CG2-CE2 3.94Å; T92-F100 WeakPolarHBondContact OG1-CD2 3.3Å; T92-D102 WeakPolarHBondContact CB-O 3.32Å; T92-D102 PolarHBondContact OG1-O 3.18Å; T92-Y343 HydrophobicContact CG2-CE2 4.49Å; T92-V346 HydrophobicContact CG2-CG1 4.2Å
93P96.1Very high95.6Very high21 Ų2134.6 Ų34.614%0.13619%0.189CC..SBendtrans-73.8-9.4170.831.8-37.5000112.9R6 F9 E20 Y104R6-P93 PolarHBondContact NH2-O 3.01Å; F9-P93 HydrophobicContact CD1-CB 4.05Å; F9-P93 HydrophobicContact CE1-CB 4.12Å; E20-P93 HydrophobicContact CB-CB 4.1Å; E20-P93 HydrophobicContact CB-CG 4.19Å; E20-P93 HydrophobicContact CG-CB 3.7Å; E20-P93 HydrophobicContact CG-CG 4.33Å; P93-Y104 HydrophobicContact CG-CE2 4.43Å
94A95.9Very high95.6Very high13 Ų1334.1 Ų34.111%0.10719%0.186CC..  trans-63.9144.618000000112.4R6 T92 E99 F100R6-A94 PolarHBondContact NH2-O 2.84Å; T92-A94 HydrophobicContact CG2-CB 4.07Å; T92-A94 PolarHBondContact O-N 2.91Å; T92-A94 PolarHBondContact OG1-N 3.32Å; A94-E99 HydrophobicContact CB-CB 4.03Å; A94-F100 HydrophobicContact CB-CB 4.17Å; A94-F100 HydrophobicContact CB-CD2 4.35Å
95T94.3Very high95.6Very high81 Ų8134.2 Ų34.250%0.49719%0.187SC..SBendtrans-93.9-19.2177.474.10000113.1E99T95-E99 WeakPolarHBondContact CB-OE2 3.15Å; T95-E99 WeakPolarHBondContact CG2-OE2 3.36Å; T95-E99 PolarHBondContact N-OE2 2.68Å; T95-E99 VanDerWaalsContact N-OE2 3.15Å; T95-E99 PolarHBondContact OG1-OE2 2.76Å
96S95.9Very high95.7Very high32 Ų3233.9 Ų33.922%0.22419%0.185CC..SBendtrans-150.1171.1-177.278.40000110.7E98 E99 F100S96-E98 VanDerWaalsContact C-N 3.27Å; S96-E98 WeakPolarHBondContact CB-OE2 3.36Å; S96-E98 PolarHBondContact O-N 3.32Å; S96-E98 PolarHBondContact OG-N 3.05Å; S96-E98 PolarHBondContact OG-OE2 3.1Å; S96-E99 PolarHBondContact O-N 3.22Å; S96-F100 PolarHBondContact O-N 3.34Å
97L95.8Very high95.8Very high49 Ų4934.3 Ų34.326%0.25718%0.184SC..THydrogen-bonded Turntrans-63-34.4177.6177.960.1000112.2E99 F100 K339 Y343L97-E99 VanDerWaalsContact C-N 3.27Å; L97-E99 PolarHBondContact O-N 2.87Å; L97-F100 HydrophobicContact CD1-CB 4.48Å; L97-F100 HydrophobicContact CD1-CD1 4.27Å; L97-F100 VanDerWaalsContact O-CB 3.3Å; L97-F100 WeakPolarHBondContact O-CB 3.45Å; L97-F100 PolarHBondContact O-N 2.9Å; L97-K339 HydrophobicContact CD1-CG 4.18Å; L97-K339 WeakPolarHBondContact O-CE 3.27Å; L97-K339 PolarHBondContact O-NZ 3.26Å; L97-Y343 HydrophobicContact CB-CD1 4.34Å; L97-Y343 HydrophobicContact CB-CE1 4.46Å; L97-Y343 HydrophobicContact CD1-CD1 4.37Å; L97-Y343 HydrophobicContact CD1-CG 3.98Å
98E94.8Very high95.6Very high150 Ų15037 Ų3770%0.70120%0.197SC*.THydrogen-bonded Turntrans-62.8-36.5179.2-60.776-164.200111.5S96S96-E98 VanDerWaalsContact C-N 3.27Å; S96-E98 WeakPolarHBondContact CB-OE2 3.36Å; S96-E98 PolarHBondContact O-N 3.32Å; S96-E98 PolarHBondContact OG-N 3.05Å; S96-E98 PolarHBondContact OG-OE2 3.1Å
99E95.2Very high95.4Very high103 Ų10338.1 Ų38.148%0.48120%0.202SC..THydrogen-bonded Turntrans-87.4-7.2179.1-63.3179.7168.700113.5A94 T95 S96 L97 N101A94-E99 HydrophobicContact CB-CB 4.03Å; T95-E99 WeakPolarHBondContact CB-OE2 3.15Å; T95-E99 WeakPolarHBondContact CG2-OE2 3.36Å; T95-E99 PolarHBondContact N-OE2 2.68Å; T95-E99 VanDerWaalsContact N-OE2 3.15Å; T95-E99 PolarHBondContact OG1-OE2 2.76Å; S96-E99 PolarHBondContact O-N 3.22Å; L97-E99 VanDerWaalsContact C-N 3.27Å; L97-E99 PolarHBondContact O-N 2.87Å; E99-N101 PolarHBondContact O-N 3.11Å; E99-N101 VanDerWaalsContact O-N 3.16Å; E99-N101 PolarHBondContact O-ND2 2.89Å
100F97.2Very high94.9Very high0 Ų038.6 Ų38.60%020%0.204CC..  trans-68.4111.9-174.3-176.7-133.3000111.6F60 T92 A94 S96 L97 V103 K339 T342 Y343 V346F60-F100 HydrophobicContact CE1-CE1 4.3Å; F60-F100 AromaticContact CE2-CD1 3.91Å; F60-F100 HydrophobicContact CE2-CD1 3.91Å; F60-F100 AromaticContact CE2-CE1 3.71Å; F60-F100 HydrophobicContact CE2-CE1 3.71Å; F60-F100 HydrophobicContact CE2-CG 4.47Å; F60-F100 HydrophobicContact CE2-CZ 4.11Å; F60-F100 AromaticContact CZ-CD1 3.95Å; F60-F100 HydrophobicContact CZ-CD1 3.95Å; F60-F100 AromaticContact CZ-CE1 3.32Å; F60-F100 HydrophobicContact CZ-CE1 3.32Å; F60-F100 AromaticContact CZ-CZ 3.74Å; F60-F100 HydrophobicContact CZ-CZ 3.74Å; T92-F100 HydrophobicContact CG2-CD2 3.88Å; T92-F100 HydrophobicContact CG2-CE2 3.94Å; T92-F100 WeakPolarHBondContact OG1-CD2 3.3Å; A94-F100 HydrophobicContact CB-CB 4.17Å; A94-F100 HydrophobicContact CB-CD2 4.35Å; S96-F100 PolarHBondContact O-N 3.34Å; L97-F100 HydrophobicContact CD1-CB 4.48Å; L97-F100 HydrophobicContact CD1-CD1 4.27Å; L97-F100 VanDerWaalsContact O-CB 3.3Å; L97-F100 WeakPolarHBondContact O-CB 3.45Å; L97-F100 PolarHBondContact O-N 2.9Å; F100-V103 HydrophobicContact CE1-CG2 4.45Å; F100-V103 HydrophobicContact CE2-CG2 3.59Å; F100-V103 HydrophobicContact CZ-CG2 3.39Å; F100-K339 HydrophobicContact CD1-CD 4.47Å; F100-K339 HydrophobicContact CD1-CG 3.66Å; F100-K339 HydrophobicContact CE1-CG 4.16Å; F100-K339 WeakPolarHBondContact O-CE 3.26Å; F100-K339 PolarHBondContact O-NZ 3.3Å; F100-T342 HydrophobicContact CE1-CG2 4.15Å; F100-T342 HydrophobicContact CZ-CG2 3.99Å; F100-Y343 HydrophobicContact CB-CD2 3.93Å; F100-Y343 HydrophobicContact CB-CE2 4.35Å; F100-Y343 AromaticContact CD1-CD2 3.85Å; F100-Y343 HydrophobicContact CD1-CD2 3.85Å; F100-Y343 HydrophobicContact CD1-CG 4.26Å; F100-Y343 AromaticContact CD2-CD2 3.85Å; F100-Y343 HydrophobicContact CD2-CD2 3.85Å; F100-Y343 HydrophobicContact CD2-CE2 4.46Å; F100-Y343 HydrophobicContact CE1-CD2 4.25Å; F100-Y343 HydrophobicContact CE2-CD2 4.26Å; F100-Y343 AromaticContact CG-CD2 3.63Å; F100-Y343 HydrophobicContact CG-CD2 3.63Å; F100-Y343 HydrophobicContact CG-CE2 4.39Å; F100-Y343 HydrophobicContact CG-CG 4.46Å; F100-Y343 HydrophobicContact CZ-CD2 4.44Å; F100-V346 HydrophobicContact CZ-CG2 4.26Å
101N94.6Very high94Very high99 Ų9941.4 Ų41.453%0.52923%0.234SC..  trans-137.5-35-177.3-71.8-72.3000112.8P59 E99P59-N101 WeakPolarHBondContact CG-O 3.48Å; E99-N101 PolarHBondContact O-N 3.11Å; E99-N101 VanDerWaalsContact O-N 3.16Å; E99-N101 PolarHBondContact O-ND2 2.89Å
102D95.1Very high93.3Very high46 Ų4642.5 Ų42.525%0.24625%0.246CC..  trans-110.9137.6-178-73.4-28.2000110.7K55 T92 Y104K55-D102 VanDerWaalsContact CE-CG 3.42Å; K55-D102 VanDerWaalsContact CE-OD1 3.3Å; K55-D102 WeakPolarHBondContact CE-OD1 3.44Å; K55-D102 WeakPolarHBondContact CE-OD2 3.27Å; K55-D102 IonicContact NZ-OD1 2.68Å; K55-D102 IonicContact NZ-OD2 2.72Å; K55-D102 PolarHBondContact NZ-OD2 3.23Å; T92-D102 WeakPolarHBondContact CB-O 3.32Å; T92-D102 PolarHBondContact OG1-O 3.18Å; D102-Y104 HydrophobicContact CB-CD2 4.42Å; D102-Y104 HydrophobicContact CB-CE2 3.68Å
103V97.2Very high92.6Very high1 Ų143.8 Ų43.81%0.00625%0.252CS..  trans-123.1130.7172.5-179.30000108.1L56 F60 T69 V90 F100 L105 T342L56-V103 HydrophobicContact CD1-CB 4.02Å; L56-V103 HydrophobicContact CD1-CG1 4.05Å; L56-V103 HydrophobicContact CG-CB 4.37Å; L56-V103 PolarHBondContact N-O 2.85Å; F60-V103 HydrophobicContact CE2-CG2 4.42Å; F60-V103 HydrophobicContact CZ-CG2 4.08Å; T69-V103 HydrophobicContact CG2-CG2 4.4Å; V90-V103 HydrophobicContact CG2-CG1 4.25Å; F100-V103 HydrophobicContact CE1-CG2 4.45Å; F100-V103 HydrophobicContact CE2-CG2 3.59Å; F100-V103 HydrophobicContact CZ-CG2 3.39Å; V103-L105 HydrophobicContact CG1-CD2 4.19Å; V103-T342 HydrophobicContact CG2-CG2 4.36Å
104Y97.3Very high92Very high0 Ų042.8 Ų42.80%025%0.246CC..EExtended strand (participates in β ladder)trans-117.7130.3175.7-61.4-101.8000109.3W19 E20 V21 V53 K54 K55 V90 F91 P93 D102W19-Y104 HydrophobicContact CD2-CE1 4.2Å; W19-Y104 HydrophobicContact CE3-CD1 4.06Å; W19-Y104 AromaticContact CE3-CE1 3.71Å; W19-Y104 HydrophobicContact CE3-CE1 3.71Å; W19-Y104 HydrophobicContact CZ3-CD1 4.2Å; W19-Y104 HydrophobicContact CZ3-CE1 4.26Å; E20-Y104 PolarHBondContact N-OH 2.69Å; E20-Y104 VanDerWaalsContact N-OH 3.13Å; V21-Y104 HydrophobicContact CG1-CD1 4.23Å; V21-Y104 HydrophobicContact CG1-CE1 4.09Å; V53-Y104 HydrophobicContact CG1-CD1 4.23Å; K54-Y104 CarbonylContact O-C 3.59Å; K54-Y104 VanDerWaalsContact O-CA 3.32Å; K54-Y104 WeakPolarHBondContact O-CA 3.42Å; K55-Y104 HydrophobicContact CB-CD1 3.79Å; K55-Y104 HydrophobicContact CB-CE1 3.64Å; K55-Y104 HydrophobicContact CD-CE1 3.63Å; K55-Y104 WeakPolarHBondContact CD-OH 3.21Å; K55-Y104 WeakPolarHBondContact CE-OH 3.36Å; K55-Y104 HydrophobicContact CG-CD1 4.04Å; K55-Y104 HydrophobicContact CG-CE1 3.57Å; K55-Y104 PolarHBondContact NZ-OH 3.38Å; V90-Y104 WeakPolarHBondContact CA-O 3.42Å; V90-Y104 WeakPolarHBondContact CG2-O 3.46Å; F91-Y104 AromaticContact CD2-CD2 3.78Å; F91-Y104 HydrophobicContact CD2-CD2 3.78Å; F91-Y104 AromaticContact CD2-CG 3.92Å; F91-Y104 HydrophobicContact CD2-CG 3.92Å; F91-Y104 AromaticContact CE2-CD1 3.89Å; F91-Y104 HydrophobicContact CE2-CD1 3.89Å; F91-Y104 AromaticContact CE2-CD2 3.47Å; F91-Y104 HydrophobicContact CE2-CD2 3.47Å; F91-Y104 VanDerWaalsContact CE2-CD2 3.47Å; F91-Y104 HydrophobicContact CE2-CE2 4.22Å; F91-Y104 AromaticContact CE2-CG 3.28Å; F91-Y104 HydrophobicContact CE2-CG 3.28Å; F91-Y104 HydrophobicContact CZ-CD1 4.05Å; F91-Y104 HydrophobicContact CZ-CD2 4.34Å; F91-Y104 AromaticContact CZ-CG 3.69Å; F91-Y104 HydrophobicContact CZ-CG 3.69Å; F91-Y104 PolarHBondContact N-O 3.16Å; F91-Y104 PolarHBondContact O-N 3.44Å; P93-Y104 HydrophobicContact CG-CE2 4.43Å; D102-Y104 HydrophobicContact CB-CD2 4.42Å; D102-Y104 HydrophobicContact CB-CE2 3.68Å
105L96Very high91.4Very high3 Ų344.2 Ų44.22%0.01625%0.252CS..EExtended strand (participates in β ladder)trans-109.9132.7177.2-54.2171.6000108.4V53 K54 L56 E72 L73 L76 L87 V90 V103V53-L105 CarbonylContact C-O 3.58Å; V53-L105 WeakPolarHBondContact CA-O 3.5Å; K54-L105 HydrophobicContact CB-CB 4.42Å; K54-L105 PolarHBondContact N-O 3.45Å; K54-L105 PolarHBondContact O-N 3.29Å; L56-L105 HydrophobicContact CD1-CD1 4.31Å; L56-L105 HydrophobicContact CD2-CD1 4.02Å; L56-L105 HydrophobicContact CG-CD1 4.36Å; E72-L105 HydrophobicContact CG-CD1 4.35Å; L73-L105 HydrophobicContact CD1-CD2 3.95Å; L76-L105 HydrophobicContact CD1-CD1 3.76Å; L87-L105 HydrophobicContact CD1-CB 4.04Å; L87-L105 HydrophobicContact CD1-CD2 4.07Å; V90-L105 HydrophobicContact CB-CD2 4.38Å; V90-L105 HydrophobicContact CG2-CD2 3.92Å; V103-L105 HydrophobicContact CG1-CD2 4.19Å
106V95.9Very high90.7Very high0 Ų043.9 Ų43.90%025%0.247CC..EExtended strand (participates in β ladder)trans-115126177.8-172.60000108.9Y25 V51 A52 V53 L88 D89 F91Y25-V106 HydrophobicContact CE1-CG1 3.94Å; Y25-V106 HydrophobicContact CE1-CG2 4.38Å; Y25-V106 HydrophobicContact CE2-CG2 4.16Å; V51-V106 HydrophobicContact CB-CG1 3.71Å; V51-V106 HydrophobicContact CG1-CG1 4.12Å; V51-V106 HydrophobicContact CG2-CG1 3.81Å; A52-V106 WeakPolarHBondContact O-CA 3.24Å; V53-V106 HydrophobicContact CG1-CG2 4.32Å; V53-V106 HydrophobicContact CG2-CG1 4.48Å; V53-V106 HydrophobicContact CG2-CG2 4.28Å; L88-V106 HydrophobicContact CB-CG1 4.33Å; L88-V106 WeakPolarHBondContact CB-O 3.46Å; L88-V106 PolarHBondContact N-O 2.92Å; D89-V106 HydrophobicContact CB-CB 3.75Å; D89-V106 HydrophobicContact CB-CG1 4.43Å; D89-V106 HydrophobicContact CB-CG2 3.85Å; D89-V106 PolarHBondContact N-O 2.98Å; D89-V106 WeakPolarHBondContact O-CB 3.28Å; D89-V106 PolarHBondContact O-N 3.4Å; F91-V106 HydrophobicContact CD1-CG2 4.08Å; F91-V106 HydrophobicContact CE1-CG2 3.57Å
107T93.7Very high89.9Confident24 Ų2443.9 Ų43.915%0.14724%0.244CC..EExtended strand (participates in β ladder)trans-134.2174.2178.568.30000110V51 A52 I85 G86 L87 L109V51-T107 WeakPolarHBondContact CA-O 3.34Å; V51-T107 WeakPolarHBondContact CB-O 3.24Å; A52-T107 PolarHBondContact N-O 2.7Å; A52-T107 PolarHBondContact O-N 3.22Å; I85-T107 HydrophobicContact CG1-CG2 3.96Å; G86-T107 WeakPolarHBondContact O-CG2 3.37Å; L87-T107 HydrophobicContact CD1-CG2 4.49Å; T107-L109 PolarHBondContact O-N 2.85Å
108H89.8Confident89Confident70 Ų7042.3 Ų42.332%0.32424%0.237SC..EExtended strand (participates in β ladder)trans-56.2138169.5-63.595000110.8I85 M110I85-H108 HydrophobicContact CD1-CB 4.48Å; H108-M110 PolarHBondContact O-N 3.45Å
109L89.6Confident88.2Confident53 Ų5342 Ų4228%0.27723%0.233SC..PPolyproline II helixtrans-77.7117.3170.2-177.166.3000108.8V31 K50 A52 T107V31-L109 HydrophobicContact CG2-CD1 4.47Å; K50-L109 HydrophobicContact CB-CB 4.22Å; K50-L109 HydrophobicContact CB-CD2 3.83Å; K50-L109 HydrophobicContact CD-CD2 4.28Å; K50-L109 WeakPolarHBondContact O-CB 3.36Å; K50-L109 PolarHBondContact O-N 3.37Å; A52-L109 HydrophobicContact CB-CD1 4.05Å; T107-L109 PolarHBondContact O-N 2.85Å
110M85.2Confident87.3Confident30 Ų3042.2 Ų42.215%0.14824%0.244CC..PPolyproline II helixtrans-92.9148.5172.3-55.8-61-67.900110.1H108 A158 K166H108-M110 PolarHBondContact O-N 3.45Å; M110-A158 HydrophobicContact CB-CB 3.41Å; M110-A158 VanDerWaalsContact CB-CB 3.41Å; M110-A158 HydrophobicContact CE-CB 4.39Å; M110-A158 WeakPolarHBondContact CE-O 3.36Å; M110-A158 HydrophobicContact CG-CB 3.65Å; M110-K166 HydrophobicContact CE-CB 3.95Å; M110-K166 HydrophobicContact CE-CD 4.23Å; M110-K166 HydrophobicContact CE-CG 3.76Å; M110-K166 HydrophobicContact SD-CB 4.25Å; M110-K166 HydrophobicContact SD-CD 3.76Å; M110-K166 HydrophobicContact SD-CG 3.97Å
111G78.6Confident86.4Confident65 Ų6548.2 Ų48.267%0.6727%0.272SS*.SBendtrans-70.7-62.3-173.500000113.5V159G111-V159 PolarHBondContact N-O 3.49Å
112A82.4Confident85.7Confident38 Ų3853.4 Ų53.431%0.31429%0.29SS..EExtended strand (participates in β ladder)trans-136.9157.2-179.600000111.2I117 A158 V159A112-I117 HydrophobicContact CB-CG1 4.31Å; A112-A158 CarbonylContact O-C 3.58Å; A112-A158 WeakPolarHBondContact O-CA 3.25Å; A112-V159 PolarHBondContact N-O 2.94Å; A112-V159 PolarHBondContact O-N 2.78Å
113D84Confident85.5Confident41 Ų4152.9 Ų52.922%0.21929%0.288CS..EExtended strand (participates in β ladder)trans-84.6153.616565.378.1000111.5N115 N116 I117 L157D113-N115 PolarHBondContact O-N 2.98Å; D113-N115 WeakPolarHBondContact OD1-CA 3.49Å; D113-N115 WeakPolarHBondContact OD1-CB 3.29Å; D113-N115 PolarHBondContact OD1-N 3.32Å; D113-N115 VanDerWaalsContact OD1-N 3.11Å; D113-N115 PolarHBondContact OD1-ND2 2.88Å; D113-N116 PolarHBondContact O-N 3.42Å; D113-N116 PolarHBondContact OD1-N 3.46Å; D113-N116 PolarHBondContact OD2-ND2 2.9Å; D113-I117 PolarHBondContact O-N 2.87Å; D113-L157 CarbonylContact C-O 3.49Å; D113-L157 WeakPolarHBondContact CA-O 3.49Å
114L84.1Confident85.3Confident0 Ų056.2 Ų56.20%031%0.308CS..Hα-helixtrans-61.4-28.3-178.1-172.264.7000112.1N116 I117 V118 L131 P154 L157 V159 I213 L217L114-N116 VanDerWaalsContact C-N 3.26Å; L114-N116 PolarHBondContact O-N 3.2Å; L114-I117 HydrophobicContact CD1-CB 4.4Å; L114-I117 PolarHBondContact O-N 2.87Å; L114-V118 HydrophobicContact CD1-CG2 4.3Å; L114-V118 HydrophobicContact CG-CG2 4.17Å; L114-V118 WeakPolarHBondContact O-CG2 3.27Å; L114-V118 PolarHBondContact O-N 3.26Å; L114-L131 HydrophobicContact CD1-CD1 3.87Å; L114-P154 HydrophobicContact CB-CB 4.05Å; L114-P154 WeakPolarHBondContact CB-O 3.44Å; L114-P154 HydrophobicContact CD2-CB 4.43Å; L114-P154 HydrophobicContact CG-CB 4.29Å; L114-P154 PolarHBondContact N-O 3.14Å; L114-L157 HydrophobicContact CB-CB 4.06Å; L114-L157 HydrophobicContact CD2-CB 4.32Å; L114-L157 HydrophobicContact CD2-CD1 3.75Å; L114-L157 PolarHBondContact N-O 2.62Å; L114-V159 HydrophobicContact CB-CG2 4.49Å; L114-V159 HydrophobicContact CD1-CG2 4.47Å; L114-I213 HydrophobicContact CD2-CG2 3.93Å; L114-L217 HydrophobicContact CD1-CD2 4.01Å; L114-L217 HydrophobicContact CD2-CD1 4.32Å; L114-L217 HydrophobicContact CD2-CD2 3.95Å; L114-L217 HydrophobicContact CG-CD2 4.01Å
115N82.7Confident85.3Confident43 Ų4358.4 Ų58.423%0.2332%0.32CS..Hα-helixtrans-63.9-29.2174.5154.492.3000112.5D113 K119 P154D113-N115 PolarHBondContact O-N 2.98Å; D113-N115 WeakPolarHBondContact OD1-CA 3.49Å; D113-N115 WeakPolarHBondContact OD1-CB 3.29Å; D113-N115 PolarHBondContact OD1-N 3.32Å; D113-N115 VanDerWaalsContact OD1-N 3.11Å; D113-N115 PolarHBondContact OD1-ND2 2.88Å; N115-K119 PolarHBondContact ND2-NZ 3.31Å; N115-K119 WeakPolarHBondContact O-CD 3.28Å; N115-K119 WeakPolarHBondContact O-CG 3.46Å; N115-K119 WeakPolarHBondContact OD1-CE 3.46Å; N115-K119 PolarHBondContact OD1-NZ 3.35Å; N115-P154 HydrophobicContact CB-CB 3.78Å; N115-P154 PolarHBondContact N-O 3.42Å
116N79.5Confident85.3Confident75 Ų7562.4 Ų62.440%0.40134%0.341SS..Hα-helixtrans-80-36.5173.3-63.3-28.1000112D113 L114 K119 C120D113-N116 PolarHBondContact O-N 3.42Å; D113-N116 PolarHBondContact OD1-N 3.46Å; D113-N116 PolarHBondContact OD2-ND2 2.9Å; L114-N116 VanDerWaalsContact C-N 3.26Å; L114-N116 PolarHBondContact O-N 3.2Å; N116-K119 PolarHBondContact O-N 3.34Å; N116-C120 PolarHBondContact O-N 3.14Å; N116-C120 PolarHBondContact O-SG 3.21Å; N116-C120 VanDerWaalsContact O-SG 3.33Å
117I78.8Confident85.2Confident31 Ų3166.2 Ų66.216%0.15936%0.359CS..Hα-helixtrans-63.1-49.5178.3-65.1174.4000110.6A112 D113 L114 K119 C120 Q121 L123 V159A112-I117 HydrophobicContact CB-CG1 4.31Å; D113-I117 PolarHBondContact O-N 2.87Å; L114-I117 HydrophobicContact CD1-CB 4.4Å; L114-I117 PolarHBondContact O-N 2.87Å; I117-K119 PolarHBondContact O-N 3.49Å; I117-C120 PolarHBondContact O-N 2.93Å; I117-C120 VanDerWaalsContact O-N 3.07Å; I117-Q121 PolarHBondContact O-N 2.85Å; I117-L123 HydrophobicContact CG2-CD2 4.15Å; I117-V159 HydrophobicContact CD1-CB 3.62Å; I117-V159 HydrophobicContact CD1-CG1 3.9Å; I117-V159 HydrophobicContact CD1-CG2 4.07Å
118V78.2Confident85.3Confident17 Ų1765.1 Ų65.110%0.10335%0.352CS..Hα-helixtrans-60.9-31.3-178.1174.90000112.8L114 E216 L217L114-V118 HydrophobicContact CD1-CG2 4.3Å; L114-V118 HydrophobicContact CG-CG2 4.17Å; L114-V118 WeakPolarHBondContact O-CG2 3.27Å; L114-V118 PolarHBondContact O-N 3.26Å; V118-E216 HydrophobicContact CG1-CG 4.1Å; V118-L217 HydrophobicContact CG2-CD2 3.2Å
119K77.8Confident85.7Confident144 Ų14462.2 Ų62.263%0.62634%0.338SS*.Hα-helixtrans-75-27.9178.2-74.4172.8-172.9156.50113.3N115 N116 I117N115-K119 PolarHBondContact ND2-NZ 3.31Å; N115-K119 WeakPolarHBondContact O-CD 3.28Å; N115-K119 WeakPolarHBondContact O-CG 3.46Å; N115-K119 WeakPolarHBondContact OD1-CE 3.46Å; N115-K119 PolarHBondContact OD1-NZ 3.35Å; N116-K119 PolarHBondContact O-N 3.34Å; I117-K119 PolarHBondContact O-N 3.49Å
120C75.4Confident86Confident106 Ų10662.7 Ų62.772%0.71634%0.338SS*.Hα-helixtrans-101.5-24.9-170.1-670000112.8N116 I117N116-C120 PolarHBondContact O-N 3.14Å; N116-C120 PolarHBondContact O-SG 3.21Å; N116-C120 VanDerWaalsContact O-SG 3.33Å; I117-C120 PolarHBondContact O-N 2.93Å; I117-C120 VanDerWaalsContact O-N 3.07Å
121Q77.6Confident86.5Confident126 Ų12661.5 Ų61.559%0.58933%0.333SS*.  trans-136.3144-169.7-58.5-172.511.700112.1I117I117-Q121 PolarHBondContact O-N 2.85Å
122K80.8Confident87.5Confident208 Ų20858.4 Ų58.490%0.90430%0.301SS*.PPolyproline II helixtrans-84.9123.2164.5-70.6-173.9179.2-177.10108.3
123L90.3Very high88.2Confident36 Ų3657.2 Ų57.219%0.18829%0.288CS..PPolyproline II helixtrans-84.2146.3177.3-61.1175.5000110.3I117 H127 V128 L131 L217I117-L123 HydrophobicContact CG2-CD2 4.15Å; L123-H127 HydrophobicContact CB-CB 4.09Å; L123-H127 HydrophobicContact CD2-CB 4.09Å; L123-V128 HydrophobicContact CB-CG2 4.07Å; L123-L131 HydrophobicContact CD1-CD1 4Å; L123-L217 HydrophobicContact CD1-CB 4.24Å; L123-L217 HydrophobicContact CD1-CD1 4.43Å; L123-L217 HydrophobicContact CD1-CD2 3.88Å; L123-L217 HydrophobicContact CD1-CG 4.4Å
124T94.4Very high88.9Confident71 Ų7155.7 Ų55.744%0.43628%0.28SS..PPolyproline II helixtrans-82.6165.4169.960.30000109.2D126 H127 V128T124-D126 VanDerWaalsContact C-N 3.26Å; T124-D126 PolarHBondContact O-N 3.08Å; T124-H127 PolarHBondContact N-ND1 2.87Å; T124-H127 PolarHBondContact O-N 3.34Å; T124-H127 VanDerWaalsContact OG1-CG 3.28Å; T124-H127 PolarHBondContact OG1-N 2.88Å; T124-H127 PolarHBondContact OG1-ND1 2.79Å; T124-H127 VanDerWaalsContact OG1-ND1 3.1Å; T124-V128 WeakPolarHBondContact O-CG2 3.43Å; T124-V128 PolarHBondContact O-N 2.76Å
125D96.1Very high89.6Confident46 Ų4655.7 Ų55.725%0.24628%0.28CS..Hα-helixtrans-55.8-43175.2-163.265.4000111.1H127 V128 Q129 N279 Y308D125-H127 PolarHBondContact O-N 2.85Å; D125-V128 CarbonylContact O-C 3.58Å; D125-V128 WeakPolarHBondContact O-CB 3.4Å; D125-V128 PolarHBondContact O-N 3.43Å; D125-V128 VanDerWaalsContact O-N 3.11Å; D125-Q129 WeakPolarHBondContact O-CB 3.25Å; D125-Q129 PolarHBondContact O-N 2.94Å; D125-N279 WeakPolarHBondContact OD1-CB 3.21Å; D125-N279 WeakPolarHBondContact OD2-CB 3.36Å; D125-N279 PolarHBondContact OD2-ND2 2.97Å; D125-Y308 PolarHBondContact O-OH 3.12Å; D125-Y308 PolarHBondContact OD1-OH 3.49Å
126D95.7Very high90.4Very high86 Ų8653.7 Ų53.746%0.4627%0.269SS..Hα-helixtrans-60.7-41.7177.4-57.6-25.4000112.5T124 Q129 F130T124-D126 VanDerWaalsContact C-N 3.26Å; T124-D126 PolarHBondContact O-N 3.08Å; D126-Q129 WeakPolarHBondContact O-CB 3.45Å; D126-Q129 PolarHBondContact O-N 3.17Å; D126-F130 WeakPolarHBondContact O-CB 3.41Å; D126-F130 PolarHBondContact O-N 3.14Å
127H94.3Very high91.3Very high81 Ų8150.6 Ų50.638%0.37525%0.252SS..Hα-helixtrans-62.9-42.6174.3-66.4147.8000111.4L123 T124 D125 L131L123-H127 HydrophobicContact CB-CB 4.09Å; L123-H127 HydrophobicContact CD2-CB 4.09Å; T124-H127 PolarHBondContact N-ND1 2.87Å; T124-H127 PolarHBondContact O-N 3.34Å; T124-H127 VanDerWaalsContact OG1-CG 3.28Å; T124-H127 PolarHBondContact OG1-N 2.88Å; T124-H127 PolarHBondContact OG1-ND1 2.79Å; T124-H127 VanDerWaalsContact OG1-ND1 3.1Å; D125-H127 PolarHBondContact O-N 2.85Å; H127-L131 WeakPolarHBondContact O-CB 3.39Å; H127-L131 WeakPolarHBondContact O-CD1 3.27Å; H127-L131 VanDerWaalsContact O-CG 3.25Å; H127-L131 WeakPolarHBondContact O-CG 3.4Å; H127-L131 PolarHBondContact O-N 3.45Å
128V96.1Very high92.2Very high1 Ų149.1 Ų49.11%0.00624%0.244CC..Hα-helixtrans-63.9-45.6176.8178.20000110.3L123 T124 D125 F130 L131 I132 M214 L217 L218L123-V128 HydrophobicContact CB-CG2 4.07Å; T124-V128 WeakPolarHBondContact O-CG2 3.43Å; T124-V128 PolarHBondContact O-N 2.76Å; D125-V128 CarbonylContact O-C 3.58Å; D125-V128 WeakPolarHBondContact O-CB 3.4Å; D125-V128 PolarHBondContact O-N 3.43Å; D125-V128 VanDerWaalsContact O-N 3.11Å; V128-F130 PolarHBondContact O-N 3.48Å; V128-L131 PolarHBondContact O-N 2.98Å; V128-I132 HydrophobicContact CG1-CG1 3.99Å; V128-I132 WeakPolarHBondContact O-CB 3.49Å; V128-I132 VanDerWaalsContact O-CG1 3.24Å; V128-I132 WeakPolarHBondContact O-CG1 3.36Å; V128-I132 PolarHBondContact O-N 3.03Å; V128-M214 HydrophobicContact CG1-CG 4.27Å; V128-L217 HydrophobicContact CG1-CB 4.18Å; V128-L217 HydrophobicContact CG1-CD1 4.35Å; V128-L217 HydrophobicContact CG2-CB 3.81Å; V128-L218 HydrophobicContact CB-CD2 4.4Å; V128-L218 HydrophobicContact CG1-CD2 4.07Å; V128-L218 HydrophobicContact CG1-CG 4.16Å; V128-L218 HydrophobicContact CG2-CD2 4.21Å
129Q97.4Very high93.1Very high8 Ų848.3 Ų48.34%0.03724%0.239CC..Hα-helixtrans-56.3-49.5178.4-166.7-174.652.900111D125 D126 Y133 Y308 F309 Y312D125-Q129 WeakPolarHBondContact O-CB 3.25Å; D125-Q129 PolarHBondContact O-N 2.94Å; D126-Q129 WeakPolarHBondContact O-CB 3.45Å; D126-Q129 PolarHBondContact O-N 3.17Å; Q129-Y133 WeakPolarHBondContact O-CB 3.19Å; Q129-Y133 PolarHBondContact O-N 3.46Å; Q129-Y308 HydrophobicContact CB-CE1 4.05Å; Q129-Y308 VanDerWaalsContact CD-O 3.23Å; Q129-Y308 HydrophobicContact CG-CD1 4.35Å; Q129-Y308 HydrophobicContact CG-CE1 4.06Å; Q129-Y308 HydrophobicContact CG-CE2 4.44Å; Q129-Y308 WeakPolarHBondContact CG-O 3.26Å; Q129-Y308 PolarHBondContact N-OH 3.08Å; Q129-Y308 PolarHBondContact NE2-O 3.47Å; Q129-F309 HydrophobicContact CG-CD1 3.91Å; Q129-F309 HydrophobicContact CG-CE1 4.34Å; Q129-F309 WeakPolarHBondContact O-CE1 3.32Å; Q129-Y312 HydrophobicContact CB-CE2 4.02Å; Q129-Y312 HydrophobicContact CG-CD2 3.96Å; Q129-Y312 HydrophobicContact CG-CE2 3.65Å
130F96.4Very high94.1Very high63 Ų6342.7 Ų42.728%0.27622%0.215SC..Hα-helixtrans-67.1-42.8-179.6-172.4-127.7000113.1D126 V128 Q134 C163 Y312D126-F130 WeakPolarHBondContact O-CB 3.41Å; D126-F130 PolarHBondContact O-N 3.14Å; V128-F130 PolarHBondContact O-N 3.48Å; F130-Q134 VanDerWaalsContact CD1-NE2 3.31Å; F130-Q134 HydrophobicContact CE2-CG 4.31Å; F130-Q134 HydrophobicContact CZ-CG 4.47Å; F130-Q134 WeakPolarHBondContact O-CG 3.3Å; F130-Q134 PolarHBondContact O-N 2.9Å; F130-Q134 VanDerWaalsContact O-N 3.12Å; F130-Q134 PolarHBondContact O-NE2 3.13Å; F130-C163 HydrophobicContact CD1-CB 4.07Å; F130-C163 HydrophobicContact CE1-CB 4.07Å; F130-C163 WeakPolarHBondContact CE1-O 3.24Å; F130-Y312 HydrophobicContact CB-CE2 4.06Å; F130-Y312 AromaticContact CD2-CD1 3.95Å; F130-Y312 HydrophobicContact CD2-CD1 3.95Å; F130-Y312 AromaticContact CD2-CE1 3.77Å; F130-Y312 HydrophobicContact CD2-CE1 3.77Å; F130-Y312 HydrophobicContact CD2-CE2 4.4Å; F130-Y312 HydrophobicContact CD2-CG 4.37Å; F130-Y312 HydrophobicContact CE2-CD1 4.44Å; F130-Y312 HydrophobicContact CE2-CE1 4.43Å; F130-Y312 HydrophobicContact CG-CE1 4.45Å
131L96.7Very high95.2Very high5 Ų538.4 Ų38.43%0.02618%0.184CC..Hα-helixtrans-66.5-44.7178.5-71.5168.7000112L114 L123 H127 V128 Q134 I135 V159 L165 L217L114-L131 HydrophobicContact CD1-CD1 3.87Å; L123-L131 HydrophobicContact CD1-CD1 4Å; H127-L131 WeakPolarHBondContact O-CB 3.39Å; H127-L131 WeakPolarHBondContact O-CD1 3.27Å; H127-L131 VanDerWaalsContact O-CG 3.25Å; H127-L131 WeakPolarHBondContact O-CG 3.4Å; H127-L131 PolarHBondContact O-N 3.45Å; V128-L131 PolarHBondContact O-N 2.98Å; L131-Q134 PolarHBondContact O-N 2.95Å; L131-I135 WeakPolarHBondContact O-CD1 3.33Å; L131-I135 VanDerWaalsContact O-CG1 3.26Å; L131-I135 WeakPolarHBondContact O-CG1 3.32Å; L131-I135 PolarHBondContact O-N 3.48Å; L131-I135 VanDerWaalsContact O-N 3.11Å; L131-V159 HydrophobicContact CD2-CG1 4.19Å; L131-V159 HydrophobicContact CD2-CG2 4.12Å; L131-L165 HydrophobicContact CD2-CB 4.48Å; L131-L165 HydrophobicContact CD2-CD1 4.08Å; L131-L217 HydrophobicContact CB-CD1 4.35Å; L131-L217 HydrophobicContact CD1-CD1 4.3Å
132I98.3Very high96.1Very high0 Ų032.4 Ų32.40%016%0.156CC..Hα-helixtrans-68.4-37.7178.9-60.6-54.8000111V128 Q134 I135 L136 V210 I213 M214 L217 M289 F309V128-I132 HydrophobicContact CG1-CG1 3.99Å; V128-I132 WeakPolarHBondContact O-CB 3.49Å; V128-I132 VanDerWaalsContact O-CG1 3.24Å; V128-I132 WeakPolarHBondContact O-CG1 3.36Å; V128-I132 PolarHBondContact O-N 3.03Å; I132-Q134 PolarHBondContact O-N 2.79Å; I132-I135 HydrophobicContact CD1-CD1 3.94Å; I132-I135 PolarHBondContact O-N 3.5Å; I132-L136 HydrophobicContact CG2-CD1 3.91Å; I132-L136 HydrophobicContact CG2-CG 4.27Å; I132-L136 WeakPolarHBondContact O-CG 3.4Å; I132-L136 PolarHBondContact O-N 3.49Å; I132-V210 HydrophobicContact CD1-CG1 4.47Å; I132-V210 HydrophobicContact CG2-CG1 3.93Å; I132-I213 HydrophobicContact CD1-CG2 4.4Å; I132-M214 HydrophobicContact CD1-CB 3.72Å; I132-M214 HydrophobicContact CD1-CG 4.29Å; I132-M214 HydrophobicContact CG1-CB 3.95Å; I132-M214 HydrophobicContact CG1-CG 3.95Å; I132-M214 HydrophobicContact CG1-SD 4.34Å; I132-M214 HydrophobicContact CG2-SD 4.27Å; I132-L217 HydrophobicContact CD1-CD1 3.86Å; I132-L217 HydrophobicContact CG1-CD1 4.33Å; I132-M289 HydrophobicContact CG2-CE 4.49Å; I132-F309 HydrophobicContact CB-CE1 4.12Å; I132-F309 HydrophobicContact CB-CZ 4.14Å; I132-F309 HydrophobicContact CG2-CE1 4.13Å; I132-F309 HydrophobicContact CG2-CZ 3.63Å
133Y98.6Very high96.8Very high14 Ų1423.5 Ų23.56%0.05512%0.117CC..Hα-helixtrans-54.6-52.4172.9172.8-100.7000111.3Q129 I135 L136 R137 L304 F309 Y312 E318Q129-Y133 WeakPolarHBondContact O-CB 3.19Å; Q129-Y133 PolarHBondContact O-N 3.46Å; Y133-I135 VanDerWaalsContact C-N 3.33Å; Y133-I135 PolarHBondContact O-N 2.84Å; Y133-L136 PolarHBondContact O-N 3.13Å; Y133-L136 VanDerWaalsContact O-N 3.13Å; Y133-R137 WeakPolarHBondContact O-CB 3.38Å; Y133-R137 PolarHBondContact O-N 3.22Å; Y133-L304 HydrophobicContact CD2-CD2 3.61Å; Y133-L304 HydrophobicContact CE2-CD2 3.51Å; Y133-F309 HydrophobicContact CD2-CB 4.08Å; Y133-F309 HydrophobicContact CD2-CD1 4.4Å; Y133-F309 HydrophobicContact CD2-CG 4.23Å; Y133-Y312 PolarHBondContact OH-O 3.08Å; Y133-E318 WeakPolarHBondContact CE2-OE1 3.23Å; Y133-E318 PolarHBondContact OH-OE1 3.36Å
134Q98.4Very high97Very high9 Ų923.6 Ų23.64%0.04212%0.121CC..Hα-helixtrans-61.8-37.8179.5-71.7179.180.800113.2N83 F130 L131 I132 G138 C163 L165N83-Q134 VanDerWaalsContact CB-O 3.27Å; N83-Q134 WeakPolarHBondContact CB-O 3.27Å; N83-Q134 WeakPolarHBondContact ND2-CB 3.4Å; N83-Q134 PolarHBondContact ND2-OE1 2.81Å; N83-Q134 VanDerWaalsContact ND2-OE1 3.14Å; F130-Q134 VanDerWaalsContact CD1-NE2 3.31Å; F130-Q134 HydrophobicContact CE2-CG 4.31Å; F130-Q134 HydrophobicContact CZ-CG 4.47Å; F130-Q134 WeakPolarHBondContact O-CG 3.3Å; F130-Q134 PolarHBondContact O-N 2.9Å; F130-Q134 VanDerWaalsContact O-N 3.12Å; F130-Q134 PolarHBondContact O-NE2 3.13Å; L131-Q134 PolarHBondContact O-N 2.95Å; I132-Q134 PolarHBondContact O-N 2.79Å; Q134-G138 PolarHBondContact O-N 3.36Å; Q134-C163 PolarHBondContact NE2-O 2.9Å; Q134-L165 HydrophobicContact CB-CB 4.04Å; Q134-L165 HydrophobicContact CB-CD2 4.37Å
135I98.4Very high97Very high0 Ų020.3 Ų20.30%010%0.101CC..Hα-helixtrans-62.8-46.6174.3-63.9162.1000110.2L131 I132 Y133 L139 L157 L165 V210 I213L131-I135 WeakPolarHBondContact O-CD1 3.33Å; L131-I135 VanDerWaalsContact O-CG1 3.26Å; L131-I135 WeakPolarHBondContact O-CG1 3.32Å; L131-I135 PolarHBondContact O-N 3.48Å; L131-I135 VanDerWaalsContact O-N 3.11Å; I132-I135 HydrophobicContact CD1-CD1 3.94Å; I132-I135 PolarHBondContact O-N 3.5Å; Y133-I135 VanDerWaalsContact C-N 3.33Å; Y133-I135 PolarHBondContact O-N 2.84Å; I135-L139 WeakPolarHBondContact O-CB 3.38Å; I135-L139 PolarHBondContact O-N 3.24Å; I135-L157 HydrophobicContact CD1-CD1 3.51Å; I135-L157 HydrophobicContact CD1-CD2 4.44Å; I135-L157 HydrophobicContact CG1-CD1 4.04Å; I135-L157 HydrophobicContact CG1-CD2 4.05Å; I135-L165 HydrophobicContact CD1-CD1 3.96Å; I135-L165 HydrophobicContact CG1-CD1 3.55Å; I135-L165 HydrophobicContact CG1-CD2 3.74Å; I135-L165 HydrophobicContact CG1-CG 4.33Å; I135-V210 HydrophobicContact CG2-CG2 3.69Å; I135-I213 HydrophobicContact CD1-CG2 4.48Å
136L98.7Very high96.8Very high0 Ų022.2 Ų22.20%011%0.111CC..Hα-helixtrans-67.2-38.2-179.7-70169.6000112.2I132 Y133 L139 K140 I207 V210 M289 A303 L304 F309I132-L136 HydrophobicContact CG2-CD1 3.91Å; I132-L136 HydrophobicContact CG2-CG 4.27Å; I132-L136 WeakPolarHBondContact O-CG 3.4Å; I132-L136 PolarHBondContact O-N 3.49Å; Y133-L136 PolarHBondContact O-N 3.13Å; Y133-L136 VanDerWaalsContact O-N 3.13Å; L136-L139 PolarHBondContact O-N 3.03Å; L136-K140 PolarHBondContact O-N 2.82Å; L136-I207 HydrophobicContact CD2-CD1 3.9Å; L136-V210 HydrophobicContact CD2-CG1 4.15Å; L136-V210 HydrophobicContact CG-CG1 4.42Å; L136-M289 HydrophobicContact CD1-CE 3.9Å; L136-M289 HydrophobicContact CD2-CE 4.03Å; L136-M289 HydrophobicContact CG-CE 4.44Å; L136-A303 HydrophobicContact CD1-CB 3.73Å; L136-A303 HydrophobicContact CD2-CB 3.98Å; L136-A303 HydrophobicContact CG-CB 4.47Å; L136-L304 HydrophobicContact CB-CD2 3.84Å; L136-L304 HydrophobicContact CB-CG 3.97Å; L136-F309 HydrophobicContact CD1-CD2 4.4Å; L136-F309 HydrophobicContact CD1-CE2 3.43Å; L136-F309 VanDerWaalsContact CD1-CE2 3.43Å; L136-F309 HydrophobicContact CD1-CZ 3.65Å
137R98.6Very high96.6Very high11 Ų1118.1 Ų18.14%0.0429%0.089CC..Hα-helixtrans-61.1-50.8175.6-172.7179.3173.4-106.98110.9H81 E82 N83 Y133 L139 K140 Y141 L304 D317 E318H81-R137 PolarHBondContact CE1-NH1 3.37Å; E82-R137 IonicContact OE2-CZ 3.89Å; E82-R137 VanDerWaalsContact OE2-CZ 3.32Å; E82-R137 IonicContact OE2-NH1 3.72Å; E82-R137 PolarHBondContact OE2-NH1 3.38Å; E82-R137 IonicContact OE2-NH2 3.73Å; E82-R137 PolarHBondContact OE2-NH2 2.97Å; N83-R137 WeakPolarHBondContact OD1-CD 3.15Å; N83-R137 PolarHBondContact OD1-NH1 2.83Å; Y133-R137 WeakPolarHBondContact O-CB 3.38Å; Y133-R137 PolarHBondContact O-N 3.22Å; R137-L139 VanDerWaalsContact C-N 3.29Å; R137-L139 PolarHBondContact O-N 2.91Å; R137-K140 PolarHBondContact O-N 2.83Å; R137-Y141 PolarHBondContact O-N 2.82Å; R137-L304 HydrophobicContact CB-CD2 4.2Å; R137-D317 VanDerWaalsContact CZ-O 3.25Å; R137-D317 IonicContact CZ-OD1 2.64Å; R137-D317 PolarHBondContact NE-O 3.43Å; R137-D317 PolarHBondContact NH2-O 3.05Å; R137-D317 IonicContact NH2-OD1 3.73Å; R137-D317 PolarHBondContact NH2-OD1 3.05Å; R137-D317 IonicContact NH2-OD2 3.41Å; R137-E318 HydrophobicContact CG-CG 4.25Å
138G98.1Very high96.4Very high0 Ų014.3 Ų14.30%07%0.071CC..Hα-helixtrans-62.1-35.6173.800000113.1Q134 Y141 I142Q134-G138 PolarHBondContact O-N 3.36Å; G138-Y141 PolarHBondContact O-N 3.32Å; G138-I142 WeakPolarHBondContact O-CD1 3.46Å; G138-I142 VanDerWaalsContact O-CG1 3.26Å; G138-I142 WeakPolarHBondContact O-CG1 3.43Å; G138-I142 PolarHBondContact O-N 3.23Å
139L97.9Very high96.1Very high0 Ų014.3 Ų14.30%07%0.071CC..Hα-helixtrans-72.4-36.6179.9-164.863.1000112.7I135 L136 R137 Y141 I142 H143 L152 D206 I207 V210 A300I135-L139 WeakPolarHBondContact O-CB 3.38Å; I135-L139 PolarHBondContact O-N 3.24Å; L136-L139 PolarHBondContact O-N 3.03Å; R137-L139 VanDerWaalsContact C-N 3.29Å; R137-L139 PolarHBondContact O-N 2.91Å; L139-Y141 VanDerWaalsContact C-N 3.33Å; L139-Y141 PolarHBondContact O-N 3.38Å; L139-I142 PolarHBondContact O-N 3.02Å; L139-H143 VanDerWaalsContact CD1-NE2 3.25Å; L139-H143 WeakPolarHBondContact CD1-NE2 3.39Å; L139-H143 VanDerWaalsContact CG-CE1 3.4Å; L139-H143 WeakPolarHBondContact CG-CE1 2.93Å; L139-H143 WeakPolarHBondContact CG-NE2 3.23Å; L139-H143 VanDerWaalsContact O-CB 3.23Å; L139-H143 WeakPolarHBondContact O-CB 2.88Å; L139-H143 PolarHBondContact O-CD2 3.45Å; L139-H143 PolarHBondContact O-N 3.06Å; L139-L152 HydrophobicContact CD1-CD1 4.09Å; L139-L152 HydrophobicContact CD2-CD1 4.25Å; L139-D206 HydrophobicContact CD1-CB 3.8Å; L139-D206 HydrophobicContact CD2-CB 3.66Å; L139-D206 HydrophobicContact CG-CB 4.28Å; L139-I207 HydrophobicContact CD2-CD1 3.76Å; L139-V210 HydrophobicContact CD2-CG2 4.12Å; L139-A300 HydrophobicContact CB-CB 4.32Å; L139-A300 HydrophobicContact CG-CB 4.44Å
140K98.1Very high95.6Very high26 Ų2615.7 Ų15.711%0.1138%0.076CC..Hα-helixtrans-55.6-49.4170174.5-174.8178.5-172.40110.4L136 R137 I142 H143 S144 A300 L304 E318L136-K140 PolarHBondContact O-N 2.82Å; R137-K140 PolarHBondContact O-N 2.83Å; K140-I142 PolarHBondContact O-N 3.46Å; K140-H143 PolarHBondContact O-N 3.33Å; K140-S144 WeakPolarHBondContact O-CB 3.41Å; K140-S144 PolarHBondContact O-N 2.89Å; K140-S144 PolarHBondContact O-OG 3.37Å; K140-A300 HydrophobicContact CB-CB 4.12Å; K140-L304 HydrophobicContact CB-CD1 3.93Å; K140-L304 HydrophobicContact CD-CD1 3.68Å; K140-L304 HydrophobicContact CG-CD1 4.41Å; K140-E318 HydrophobicContact CD-CB 4.25Å; K140-E318 VanDerWaalsContact CE-O 3.32Å; K140-E318 WeakPolarHBondContact CE-O 3.44Å; K140-E318 PolarHBondContact NZ-O 3.41Å; K140-E318 IonicContact NZ-OE2 2.84Å
141Y98Very high95.1Very high16 Ų1613.2 Ų13.26%0.0637%0.066CC..Hα-helixtrans-57.6-50.7176.8-177.6-87.5000111.7M79 K80 H81 V84 R137 G138 L139 H143 S144 A321M79-Y141 HydrophobicContact SD-CD1 4.07Å; M79-Y141 HydrophobicContact SD-CE1 3.72Å; K80-Y141 PolarHBondContact N-OH 3.35Å; K80-Y141 PolarHBondContact O-OH 3.09Å; H81-Y141 HydrophobicContact CB-CD1 3.72Å; H81-Y141 HydrophobicContact CB-CD2 3.88Å; H81-Y141 HydrophobicContact CB-CE1 3.96Å; H81-Y141 HydrophobicContact CB-CE2 4.07Å; H81-Y141 HydrophobicContact CB-CG 3.7Å; H81-Y141 AromaticContact CD2-CD2 3.52Å; H81-Y141 AromaticContact CD2-CG 3.6Å; H81-Y141 AromaticContact CG-CD2 4Å; H81-Y141 AromaticContact CG-CG 3.78Å; V84-Y141 HydrophobicContact CG2-CD1 4.44Å; R137-Y141 PolarHBondContact O-N 2.82Å; G138-Y141 PolarHBondContact O-N 3.32Å; L139-Y141 VanDerWaalsContact C-N 3.33Å; L139-Y141 PolarHBondContact O-N 3.38Å; Y141-H143 VanDerWaalsContact C-N 3.33Å; Y141-H143 PolarHBondContact O-N 3.27Å; Y141-S144 PolarHBondContact O-N 3.47Å; Y141-S144 PolarHBondContact O-OG 2.95Å; Y141-A321 HydrophobicContact CD1-CB 3.97Å; Y141-A321 HydrophobicContact CD2-CB 3.95Å; Y141-A321 HydrophobicContact CE1-CB 3.62Å; Y141-A321 VanDerWaalsContact CE2-CA 3.48Å; Y141-A321 HydrophobicContact CE2-CB 3.64Å; Y141-A321 HydrophobicContact CG-CB 4.11Å; Y141-A321 VanDerWaalsContact CZ-CB 3.44Å; Y141-A321 WeakPolarHBondContact O-CB 3.34Å
142I96Very high94.9Very high0 Ų013.1 Ų13.10%07%0.065CC..Hα-helixtrans-59.7-43.8178.4-66.2161.7000111.2M79 V84 G138 L139 K140 A145 I147 I167 F170M79-I142 HydrophobicContact SD-CG1 4.24Å; V84-I142 HydrophobicContact CG1-CD1 4.36Å; V84-I142 HydrophobicContact CG1-CG1 4.42Å; V84-I142 HydrophobicContact CG2-CD1 3.89Å; V84-I142 HydrophobicContact CG2-CG1 3.94Å; G138-I142 WeakPolarHBondContact O-CD1 3.46Å; G138-I142 VanDerWaalsContact O-CG1 3.26Å; G138-I142 WeakPolarHBondContact O-CG1 3.43Å; G138-I142 PolarHBondContact O-N 3.23Å; L139-I142 PolarHBondContact O-N 3.02Å; K140-I142 PolarHBondContact O-N 3.46Å; I142-A145 PolarHBondContact O-N 3.43Å; I142-I147 HydrophobicContact CG2-CB 3.87Å; I142-I147 HydrophobicContact CG2-CG2 3.72Å; I142-I147 WeakPolarHBondContact CG2-O 3.29Å; I142-I147 PolarHBondContact O-N 2.95Å; I142-I167 HydrophobicContact CD1-CD1 3.93Å; I142-I167 HydrophobicContact CD1-CG2 4.1Å; I142-F170 HydrophobicContact CD1-CE1 3.78Å; I142-F170 HydrophobicContact CD1-CZ 3.81Å; I142-F170 HydrophobicContact CG1-CE1 4.08Å; I142-F170 HydrophobicContact CG1-CZ 4.2Å; I142-F170 HydrophobicContact CG2-CE1 4.36Å
143H95.8Very high94.6Very high21 Ų2114.6 Ų14.610%0.0977%0.072CC..Hα-helixtrans-69.8-33.3-177.5-72.7-175.5000112.6L139 K140 Y141 A145 D146 I147 M203 D206L139-H143 VanDerWaalsContact CD1-NE2 3.25Å; L139-H143 WeakPolarHBondContact CD1-NE2 3.39Å; L139-H143 VanDerWaalsContact CG-CE1 3.4Å; L139-H143 WeakPolarHBondContact CG-CE1 2.93Å; L139-H143 WeakPolarHBondContact CG-NE2 3.23Å; L139-H143 VanDerWaalsContact O-CB 3.23Å; L139-H143 WeakPolarHBondContact O-CB 2.88Å; L139-H143 PolarHBondContact O-CD2 3.45Å; L139-H143 PolarHBondContact O-N 3.06Å; K140-H143 PolarHBondContact O-N 3.33Å; Y141-H143 VanDerWaalsContact C-N 3.33Å; Y141-H143 PolarHBondContact O-N 3.27Å; H143-A145 PolarHBondContact O-N 3.44Å; H143-D146 PolarHBondContact O-N 3.41Å; H143-I147 PolarHBondContact CD2-O 3.44Å; H143-M203 VanDerWaalsContact CA-CE 3.48Å; H143-M203 HydrophobicContact CB-CB 4.44Å; H143-M203 HydrophobicContact CB-CE 3.94Å; H143-M203 HydrophobicContact CB-SD 3.6Å; H143-M203 VanDerWaalsContact CB-SD 3.6Å; H143-M203 VanDerWaalsContact CE1-CB 3.5Å; H143-M203 WeakPolarHBondContact CE1-CB 3.43Å; H143-M203 PolarHBondContact CE1-O 3.1Å; H143-M203 PolarHBondContact NE2-O 3.05Å; H143-M203 WeakPolarHBondContact O-CE 3.07Å; H143-D206 IonicContact CD2-OD2 3.92Å; H143-D206 IonicContact CE1-OD2 3.32Å; H143-D206 IonicContact NE2-OD2 3.82Å; H143-D206 PolarHBondContact NE2-OD2 3.42Å
144S96.2Very high94.2Very high38 Ų3814.1 Ų14.127%0.2667%0.07SC..Hα-helixtrans-66-17.6174.865.50000114.2K140 Y141 E320 A321K140-S144 WeakPolarHBondContact O-CB 3.41Å; K140-S144 PolarHBondContact O-N 2.89Å; K140-S144 PolarHBondContact O-OG 3.37Å; Y141-S144 PolarHBondContact O-N 3.47Å; Y141-S144 PolarHBondContact O-OG 2.95Å; S144-E320 WeakPolarHBondContact OG-CA 3.39Å; S144-E320 WeakPolarHBondContact OG-CB 3.43Å; S144-A321 PolarHBondContact OG-N 2.94Å
145A93.8Very high93.7Very high1 Ų116.1 Ų16.11%0.0089%0.085CC..THydrogen-bonded Turntrans-9315.3172.200000113.6I142 H143 I147 A321 Q326I142-A145 PolarHBondContact O-N 3.43Å; H143-A145 PolarHBondContact O-N 3.44Å; A145-I147 HydrophobicContact CB-CD1 3.82Å; A145-I147 HydrophobicContact CB-CG1 4.42Å; A145-I147 PolarHBondContact O-N 3.01Å; A145-A321 HydrophobicContact CB-CB 3.75Å; A145-Q326 PolarHBondContact O-NE2 3.21Å; A145-Q326 VanDerWaalsContact O-NE2 3.1Å
146D91.2Very high93.4Very high86 Ų8616.7 Ų16.746%0.469%0.088SC..THydrogen-bonded Turntrans57.432-176.3-63.6-47.6000113.6H143 H175 M203 Q326H143-D146 PolarHBondContact O-N 3.41Å; D146-H175 PolarHBondContact O-CD2 2.93Å; D146-M203 VanDerWaalsContact C-CE 3.41Å; D146-M203 VanDerWaalsContact CA-CE 3.45Å; D146-Q326 PolarHBondContact O-NE2 3.34Å
147I91.1Very high93.1Very high1 Ų116.7 Ų16.71%0.0059%0.088CC..  trans-108.4133.5178.8-66.1155.5000110.2L75 M79 I142 H143 A145 A173 M203 Y324L75-I147 HydrophobicContact CD2-CD1 3.42Å; L75-I147 VanDerWaalsContact CD2-CD1 3.42Å; L75-I147 HydrophobicContact CD2-CG1 4.02Å; L75-I147 HydrophobicContact CD2-CG2 4.34Å; M79-I147 HydrophobicContact CE-CD1 3.3Å; I142-I147 HydrophobicContact CG2-CB 3.87Å; I142-I147 HydrophobicContact CG2-CG2 3.72Å; I142-I147 WeakPolarHBondContact CG2-O 3.29Å; I142-I147 PolarHBondContact O-N 2.95Å; H143-I147 PolarHBondContact CD2-O 3.44Å; A145-I147 HydrophobicContact CB-CD1 3.82Å; A145-I147 HydrophobicContact CB-CG1 4.42Å; A145-I147 PolarHBondContact O-N 3.01Å; I147-A173 HydrophobicContact CG2-CB 3.94Å; I147-M203 VanDerWaalsContact N-CE 3.32Å; I147-M203 VanDerWaalsContact O-CE 3.27Å; I147-M203 WeakPolarHBondContact O-CE 3.42Å; I147-Y324 HydrophobicContact CD1-CD1 3.61Å; I147-Y324 HydrophobicContact CD1-CE1 4.25Å; I147-Y324 HydrophobicContact CD1-CG 3.91Å; I147-Y324 HydrophobicContact CG1-CD1 3.83Å; I147-Y324 HydrophobicContact CG1-CE1 4.4Å
148I90.1Very high92.8Very high0 Ų016.3 Ų16.30%09%0.088CC..BIsolated β-bridgetrans-106.7132.2171.3-48.1179.1000109.1R150 A173 R174 T176 Y201 M203 V205 D206I148-R150 HydrophobicContact CB-CG 3.91Å; I148-R150 HydrophobicContact CG2-CG 3.43Å; I148-R150 VanDerWaalsContact CG2-CG 3.43Å; I148-A173 WeakPolarHBondContact O-CA 3.45Å; I148-A173 VanDerWaalsContact O-CB 3.32Å; I148-A173 WeakPolarHBondContact O-CB 3.03Å; I148-R174 PolarHBondContact N-O 3.29Å; I148-R174 PolarHBondContact O-N 2.95Å; I148-T176 HydrophobicContact CD1-CG2 3.85Å; I148-T176 HydrophobicContact CG1-CG2 4.04Å; I148-Y201 HydrophobicContact CD1-CD2 4.4Å; I148-Y201 HydrophobicContact CD1-CE2 4.39Å; I148-M203 HydrophobicContact CG1-CB 4.45Å; I148-M203 HydrophobicContact CG1-CE 4.32Å; I148-M203 HydrophobicContact CG1-CG 4.25Å; I148-V205 HydrophobicContact CG2-CG2 3.4Å; I148-V205 VanDerWaalsContact CG2-CG2 3.4Å; I148-D206 WeakPolarHBondContact CG2-OD2 3.5Å
149H91.1Very high92.4Very high1 Ų116.5 Ų16.51%0.0059%0.089CC..  trans-73.1-46.6179.2-174-34.3000112.6D151 L152 I167 L168 D169 D206H149-D151 PolarHBondContact ND1-N 2.93Å; H149-D151 PolarHBondContact O-N 2.86Å; H149-L152 HydrophobicContact CB-CG 4.14Å; H149-L152 WeakPolarHBondContact CD2-CD2 3.38Å; H149-I167 WeakPolarHBondContact CD2-CG2 3.47Å; H149-L168 PolarHBondContact CE1-O 3.42Å; H149-L168 PolarHBondContact NE2-O 2.77Å; H149-D169 PolarHBondContact CE1-O 2.89Å; H149-D169 VanDerWaalsContact CE1-O 3.3Å; H149-D206 PolarHBondContact N-OD2 2.93Å
150R86.4Confident91.8Very high37 Ų3718.4 Ų18.414%0.1410%0.099CC..  trans66.1-6.6175.4-55.9177.257.7-167.4-1.8118I148 M180 Y201 D206I148-R150 HydrophobicContact CB-CG 3.91Å; I148-R150 HydrophobicContact CG2-CG 3.43Å; I148-R150 VanDerWaalsContact CG2-CG 3.43Å; R150-M180 PolarHBondContact NH1-SD 3.34Å; R150-Y201 PolarHBondContact NE-OH 3.17Å; R150-Y201 PolarHBondContact NH2-OH 3.42Å; R150-D206 PolarHBondContact N-OD1 3.04Å
151D86.3Confident91Very high12 Ų1226.1 Ų26.16%0.06414%0.136CC..  trans-138.333.5-180-163.238.6000110.9H149 K153 N156 L172H149-D151 PolarHBondContact ND1-N 2.93Å; H149-D151 PolarHBondContact O-N 2.86Å; D151-K153 PolarHBondContact O-N 3.11Å; D151-K153 IonicContact OD1-NZ 3.82Å; D151-K153 PolarHBondContact OD1-NZ 3.35Å; D151-K153 IonicContact OD2-NZ 3.8Å; D151-K153 PolarHBondContact OD2-NZ 2.65Å; D151-N156 PolarHBondContact O-ND2 2.81Å; D151-L172 HydrophobicContact CB-CD1 3.99Å
152L92.3Very high90.2Very high2 Ų231.2 Ų31.21%0.0116%0.164CC..  trans-62.3124.6170.2-84.1-179.4000109.9L139 H149 L157 I167 Y189 D206 V210L139-L152 HydrophobicContact CD1-CD1 4.09Å; L139-L152 HydrophobicContact CD2-CD1 4.25Å; H149-L152 HydrophobicContact CB-CG 4.14Å; H149-L152 WeakPolarHBondContact CD2-CD2 3.38Å; L152-L157 HydrophobicContact CD2-CD2 4.01Å; L152-I167 HydrophobicContact CD2-CG2 4.05Å; L152-Y189 WeakPolarHBondContact O-CB 3.44Å; L152-D206 HydrophobicContact CD1-CB 3.83Å; L152-V210 HydrophobicContact CD1-CG2 4.14Å
153K90.8Very high89.8Confident32 Ų3233.3 Ų33.314%0.13918%0.178CC..  trans-161.8161.2177.761.6-169.6170.8-145.40108.2D151 S155 N156 Y189D151-K153 PolarHBondContact O-N 3.11Å; D151-K153 IonicContact OD1-NZ 3.82Å; D151-K153 PolarHBondContact OD1-NZ 3.35Å; D151-K153 IonicContact OD2-NZ 3.8Å; D151-K153 PolarHBondContact OD2-NZ 2.65Å; K153-S155 WeakPolarHBondContact CE-OG 3.5Å; K153-S155 WeakPolarHBondContact CG-OG 3.17Å; K153-S155 PolarHBondContact O-N 3.29Å; K153-N156 WeakPolarHBondContact CE-ND2 3.46Å; K153-N156 WeakPolarHBondContact CE-OD1 3.39Å; K153-N156 HydrophobicContact CG-CB 4.24Å; K153-N156 PolarHBondContact O-N 3.23Å; K153-Y189 HydrophobicContact CB-CD2 3.53Å; K153-Y189 HydrophobicContact CB-CE2 3.93Å; K153-Y189 HydrophobicContact CB-CG 4.05Å
154P91.9Very high89.5Confident3 Ų337.1 Ų37.12%0.01920%0.196CC..G310 helixtrans-61.4-23.2-174.2-24.534.4000114.8L114 N115 N156 L157 Y189 I213L114-P154 HydrophobicContact CB-CB 4.05Å; L114-P154 WeakPolarHBondContact CB-O 3.44Å; L114-P154 HydrophobicContact CD2-CB 4.43Å; L114-P154 HydrophobicContact CG-CB 4.29Å; L114-P154 PolarHBondContact N-O 3.14Å; N115-P154 HydrophobicContact CB-CB 3.78Å; N115-P154 PolarHBondContact N-O 3.42Å; P154-N156 VanDerWaalsContact C-N 3.28Å; P154-N156 PolarHBondContact O-N 3.34Å; P154-L157 PolarHBondContact O-N 3.47Å; P154-Y189 VanDerWaalsContact CD-CE1 3.47Å; P154-Y189 WeakPolarHBondContact CD-OH 3.41Å; P154-Y189 HydrophobicContact CG-CE1 3.84Å; P154-Y189 WeakPolarHBondContact CG-OH 3.21Å; P154-I213 HydrophobicContact CG-CG1 4.1Å; P154-I213 HydrophobicContact CG-CG2 4.48Å
155S87.1Confident89.4Confident51 Ų5135.4 Ų35.436%0.35718%0.183SC..G310 helixtrans-74.3-15.7173.669.80000114.5K153K153-S155 WeakPolarHBondContact CE-OG 3.5Å; K153-S155 WeakPolarHBondContact CG-OG 3.17Å; K153-S155 PolarHBondContact O-N 3.29Å
156N91.2Very high89.5Confident12 Ų1237 Ų376%0.06419%0.19CC..G310 helixtrans-100.811176.9-70.63.7000111.4D151 K153 P154 L168D151-N156 PolarHBondContact O-ND2 2.81Å; K153-N156 WeakPolarHBondContact CE-ND2 3.46Å; K153-N156 WeakPolarHBondContact CE-OD1 3.39Å; K153-N156 HydrophobicContact CG-CB 4.24Å; K153-N156 PolarHBondContact O-N 3.23Å; P154-N156 VanDerWaalsContact C-N 3.28Å; P154-N156 PolarHBondContact O-N 3.34Å; N156-L168 WeakPolarHBondContact O-CB 3.33Å; N156-L168 PolarHBondContact O-N 3.11Å
157L93.6Very high89.7Confident0 Ų033 Ų330%017%0.169CC..EExtended strand (participates in β ladder)trans-119.5107.8175.9-63.2176.3000107D113 L114 I135 L152 P154 L165 I167 I213D113-L157 CarbonylContact C-O 3.49Å; D113-L157 WeakPolarHBondContact CA-O 3.49Å; L114-L157 HydrophobicContact CB-CB 4.06Å; L114-L157 HydrophobicContact CD2-CB 4.32Å; L114-L157 HydrophobicContact CD2-CD1 3.75Å; L114-L157 PolarHBondContact N-O 2.62Å; I135-L157 HydrophobicContact CD1-CD1 3.51Å; I135-L157 HydrophobicContact CD1-CD2 4.44Å; I135-L157 HydrophobicContact CG1-CD1 4.04Å; I135-L157 HydrophobicContact CG1-CD2 4.05Å; L152-L157 HydrophobicContact CD2-CD2 4.01Å; P154-L157 PolarHBondContact O-N 3.47Å; L157-L165 HydrophobicContact CB-CD1 4.2Å; L157-L165 HydrophobicContact CD2-CD1 4.5Å; L157-L165 HydrophobicContact CD2-CD2 4.22Å; L157-I167 HydrophobicContact CD2-CG1 3.89Å; L157-I213 HydrophobicContact CD1-CD1 3.83Å; L157-I213 HydrophobicContact CD1-CG2 4.23Å
158A91.1Very high89.7Confident4 Ų435 Ų353%0.03318%0.18CC..EExtended strand (participates in β ladder)trans-102.5143.1-179.800000110.8M110 A112 L165 K166 L168M110-A158 HydrophobicContact CB-CB 3.41Å; M110-A158 VanDerWaalsContact CB-CB 3.41Å; M110-A158 HydrophobicContact CE-CB 4.39Å; M110-A158 WeakPolarHBondContact CE-O 3.36Å; M110-A158 HydrophobicContact CG-CB 3.65Å; A112-A158 CarbonylContact O-C 3.58Å; A112-A158 WeakPolarHBondContact O-CA 3.25Å; A158-L165 CarbonylContact O-C 3.58Å; A158-L165 VanDerWaalsContact O-CA 3.28Å; A158-L165 WeakPolarHBondContact O-CA 3.4Å; A158-K166 PolarHBondContact N-O 3.36Å; A158-K166 PolarHBondContact O-N 2.98Å; A158-L168 HydrophobicContact CB-CD1 3.53Å; A158-L168 HydrophobicContact CB-CD2 4.11Å; A158-L168 HydrophobicContact CB-CG 3.9Å
159V90.7Very high89.1Confident3 Ų336.8 Ų36.82%0.01819%0.189CC..EExtended strand (participates in β ladder)trans-135.8139.7-169.3-172.60000108.6G111 A112 L114 I117 L131 E164 L165G111-V159 PolarHBondContact N-O 3.49Å; A112-V159 PolarHBondContact N-O 2.94Å; A112-V159 PolarHBondContact O-N 2.78Å; L114-V159 HydrophobicContact CB-CG2 4.49Å; L114-V159 HydrophobicContact CD1-CG2 4.47Å; I117-V159 HydrophobicContact CD1-CB 3.62Å; I117-V159 HydrophobicContact CD1-CG1 3.9Å; I117-V159 HydrophobicContact CD1-CG2 4.07Å; L131-V159 HydrophobicContact CD2-CG1 4.19Å; L131-V159 HydrophobicContact CD2-CG2 4.12Å; V159-E164 VanDerWaalsContact CA-O 3.24Å; V159-E164 WeakPolarHBondContact CA-O 3.34Å; V159-L165 HydrophobicContact CG2-CB 4.33Å; V159-L165 HydrophobicContact CG2-CD1 4.12Å; V159-L165 HydrophobicContact CG2-CG 4.33Å
160N85Confident88.2Confident40 Ų4036.9 Ų36.921%0.21419%0.189CC..  trans-98.8-173.5174.268.65.6000112D162 C163 E164N160-D162 PolarHBondContact O-N 3.41Å; N160-D162 PolarHBondContact OD1-N 3.13Å; N160-C163 PolarHBondContact O-N 3.38Å; N160-C163 PolarHBondContact OD1-N 3.09Å; N160-E164 PolarHBondContact N-O 3.46Å; N160-E164 VanDerWaalsContact N-O 3.13Å; N160-E164 PolarHBondContact ND2-OE2 2.84Å; N160-E164 WeakPolarHBondContact OD1-CB 3.29Å; N160-E164 PolarHBondContact OD1-N 3.2Å; N160-E164 PolarHBondContact OD1-O 3.01Å
161E80.6Confident87Confident189 Ų18935.1 Ų35.188%0.88318%0.183SC*.THydrogen-bonded Turntrans-66.1-25.6-176.9-63.8-179-17700112.5C163E161-C163 VanDerWaalsContact C-N 3.3Å; E161-C163 PolarHBondContact O-N 3.18Å
162D83.1Confident86Confident123 Ų12336.5 Ų36.566%0.65819%0.19SC*.THydrogen-bonded Turntrans-89.910.2179.6-54.1-61.7000113.1N160 E164N160-D162 PolarHBondContact O-N 3.41Å; N160-D162 PolarHBondContact OD1-N 3.13Å; D162-E164 HydrophobicContact CB-CG 4.25Å; D162-E164 PolarHBondContact O-N 2.95Å
163C86.4Confident84.5Confident44 Ų4436.4 Ų36.430%0.29719%0.189SC..  trans62.720-175.8-630000114.9F130 Q134 N160 E161F130-C163 HydrophobicContact CD1-CB 4.07Å; F130-C163 HydrophobicContact CE1-CB 4.07Å; F130-C163 WeakPolarHBondContact CE1-O 3.24Å; Q134-C163 PolarHBondContact NE2-O 2.9Å; N160-C163 PolarHBondContact O-N 3.38Å; N160-C163 PolarHBondContact OD1-N 3.09Å; E161-C163 VanDerWaalsContact C-N 3.3Å; E161-C163 PolarHBondContact O-N 3.18Å
164E89.6Confident83.3Confident101 Ų10138.3 Ų38.347%0.47220%0.196SC..  trans-76.2129.7171.8-53.7177.5149.300109.9V159 N160 D162V159-E164 VanDerWaalsContact CA-O 3.24Å; V159-E164 WeakPolarHBondContact CA-O 3.34Å; N160-E164 PolarHBondContact N-O 3.46Å; N160-E164 VanDerWaalsContact N-O 3.13Å; N160-E164 PolarHBondContact ND2-OE2 2.84Å; N160-E164 WeakPolarHBondContact OD1-CB 3.29Å; N160-E164 PolarHBondContact OD1-N 3.2Å; N160-E164 PolarHBondContact OD1-O 3.01Å; D162-E164 HydrophobicContact CB-CG 4.25Å; D162-E164 PolarHBondContact O-N 2.95Å
165L94.9Very high81.5Confident1 Ų140.4 Ų40.41%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-110.6136.2-173.2179.4149.1000111.1N83 L131 Q134 I135 L157 A158 V159 I167N83-L165 VanDerWaalsContact CA-O 3.24Å; N83-L165 WeakPolarHBondContact CA-O 3.49Å; N83-L165 PolarHBondContact ND2-O 3.19Å; N83-L165 VanDerWaalsContact ND2-O 3.08Å; L131-L165 HydrophobicContact CD2-CB 4.48Å; L131-L165 HydrophobicContact CD2-CD1 4.08Å; Q134-L165 HydrophobicContact CB-CB 4.04Å; Q134-L165 HydrophobicContact CB-CD2 4.37Å; I135-L165 HydrophobicContact CD1-CD1 3.96Å; I135-L165 HydrophobicContact CG1-CD1 3.55Å; I135-L165 HydrophobicContact CG1-CD2 3.74Å; I135-L165 HydrophobicContact CG1-CG 4.33Å; L157-L165 HydrophobicContact CB-CD1 4.2Å; L157-L165 HydrophobicContact CD2-CD1 4.5Å; L157-L165 HydrophobicContact CD2-CD2 4.22Å; A158-L165 CarbonylContact O-C 3.58Å; A158-L165 VanDerWaalsContact O-CA 3.28Å; A158-L165 WeakPolarHBondContact O-CA 3.4Å; V159-L165 HydrophobicContact CG2-CB 4.33Å; V159-L165 HydrophobicContact CG2-CD1 4.12Å; V159-L165 HydrophobicContact CG2-CG 4.33Å; L165-I167 HydrophobicContact CD2-CG1 4.18Å
166K95.4Very high80Confident36 Ų3639.6 Ų39.616%0.15720%0.198CC..EExtended strand (participates in β ladder)trans-123.3131.3166.4-61.5-168.4-170.3-76.70111.2E82 I85 M110 A158 L168E82-K166 WeakPolarHBondContact O-CG 3.26Å; E82-K166 PolarHBondContact O-NZ 2.95Å; I85-K166 HydrophobicContact CD1-CD 4.03Å; M110-K166 HydrophobicContact CE-CB 3.95Å; M110-K166 HydrophobicContact CE-CD 4.23Å; M110-K166 HydrophobicContact CE-CG 3.76Å; M110-K166 HydrophobicContact SD-CB 4.25Å; M110-K166 HydrophobicContact SD-CD 3.76Å; M110-K166 HydrophobicContact SD-CG 3.97Å; A158-K166 PolarHBondContact N-O 3.36Å; A158-K166 PolarHBondContact O-N 2.98Å; K166-L168 HydrophobicContact CB-CD2 4.41Å
167I95.8Very high77.9Confident0 Ų045.1 Ų45.10%023%0.227CC..EExtended strand (participates in β ladder)trans-71.9130.7170.5-62.9172000109.2N83 I85 I142 H149 L152 L157 L165 F170N83-I167 WeakPolarHBondContact O-CG1 3.26Å; N83-I167 PolarHBondContact O-N 3.28Å; I85-I167 WeakPolarHBondContact CB-O 3.45Å; I85-I167 VanDerWaalsContact CG2-O 3.28Å; I85-I167 WeakPolarHBondContact CG2-O 3.28Å; I85-I167 PolarHBondContact N-O 2.92Å; I142-I167 HydrophobicContact CD1-CD1 3.93Å; I142-I167 HydrophobicContact CD1-CG2 4.1Å; H149-I167 WeakPolarHBondContact CD2-CG2 3.47Å; L152-I167 HydrophobicContact CD2-CG2 4.05Å; L157-I167 HydrophobicContact CD2-CG1 3.89Å; L165-I167 HydrophobicContact CD2-CG1 4.18Å; I167-F170 HydrophobicContact CG2-CZ 4.46Å
168L89.8Confident75.7Confident45 Ų4547.6 Ų47.624%0.23624%0.241CC..  trans-115.9168.9-175.9-51.3-170.5000113.1I85 H149 N156 A158 K166I85-L168 HydrophobicContact CB-CD2 3.69Å; I85-L168 HydrophobicContact CD1-CD2 4.07Å; I85-L168 HydrophobicContact CG1-CD2 3.95Å; I85-L168 HydrophobicContact CG2-CD2 4.06Å; H149-L168 PolarHBondContact CE1-O 3.42Å; H149-L168 PolarHBondContact NE2-O 2.77Å; N156-L168 WeakPolarHBondContact O-CB 3.33Å; N156-L168 PolarHBondContact O-N 3.11Å; A158-L168 HydrophobicContact CB-CD1 3.53Å; A158-L168 HydrophobicContact CB-CD2 4.11Å; A158-L168 HydrophobicContact CB-CG 3.9Å; K166-L168 HydrophobicContact CB-CD2 4.41Å
169D78.7Confident73.3Confident37 Ų3756.4 Ų56.420%0.19828%0.281CS..  trans56.480.4168-164.74000115.9R68 H149 G171R68-D169 IonicContact NH2-OD1 3.63Å; H149-D169 PolarHBondContact CE1-O 2.89Å; H149-D169 VanDerWaalsContact CE1-O 3.3Å; D169-G171 PolarHBondContact O-N 3.02Å; D169-G171 PolarHBondContact OD1-N 2.89Å
170F71.3Confident71.3Confident2 Ų257.1 Ų57.11%0.00929%0.285CS..  trans-81.59.7169.8-66.3-78.8000114L75 L76 M79 V84 I85 I142 I167 L172 A173L75-F170 HydrophobicContact CB-CB 4.13Å; L75-F170 HydrophobicContact CB-CG 4.41Å; L75-F170 HydrophobicContact CD1-CB 3.72Å; L75-F170 HydrophobicContact CD1-CG 4.44Å; L76-F170 HydrophobicContact CD2-CD2 4.38Å; M79-F170 HydrophobicContact CG-CE2 4.2Å; M79-F170 HydrophobicContact CG-CZ 4.18Å; V84-F170 HydrophobicContact CG1-CE2 3.67Å; V84-F170 HydrophobicContact CG1-CZ 3.39Å; I85-F170 HydrophobicContact CG2-CD2 4.4Å; I85-F170 HydrophobicContact CG2-CE2 4.02Å; I142-F170 HydrophobicContact CD1-CE1 3.78Å; I142-F170 HydrophobicContact CD1-CZ 3.81Å; I142-F170 HydrophobicContact CG1-CE1 4.08Å; I142-F170 HydrophobicContact CG1-CZ 4.2Å; I142-F170 HydrophobicContact CG2-CE1 4.36Å; I167-F170 HydrophobicContact CG2-CZ 4.46Å; F170-L172 PolarHBondContact O-N 3.45Å; F170-A173 HydrophobicContact CB-CB 4.12Å; F170-A173 HydrophobicContact CD1-CB 3.95Å; F170-A173 WeakPolarHBondContact O-CB 3.3Å; F170-A173 PolarHBondContact O-N 2.91Å
171G62Low69.1Low0 Ų061 Ų610%031%0.31CS..THydrogen-bonded Turntrans-61.9-16.8-173.600000114.2R68 R71 D169R68-G171 PolarHBondContact NE-O 3.47Å; R71-G171 PolarHBondContact NH2-O 3.28Å; D169-G171 PolarHBondContact O-N 3.02Å; D169-G171 PolarHBondContact OD1-N 2.89Å
172L64.3Low67.2Low42 Ų4255.9 Ų55.922%0.2231%0.308CS..THydrogen-bonded Turntrans-113.6-0.6175.8-61.3179.9000114.1D151 F170D151-L172 HydrophobicContact CB-CD1 3.99Å; F170-L172 PolarHBondContact O-N 3.45Å
173A61.7Low65.5Low0 Ų056 Ų560%030%0.3CS..  trans-67.3144-178.100000111.5R71 L75 I147 I148 F170R71-A173 VanDerWaalsContact CD-O 3.23Å; R71-A173 WeakPolarHBondContact CD-O 3.3Å; R71-A173 VanDerWaalsContact CZ-O 3.29Å; R71-A173 PolarHBondContact NE-O 2.87Å; R71-A173 VanDerWaalsContact NE-O 3.13Å; R71-A173 PolarHBondContact NH1-O 3.44Å; L75-A173 HydrophobicContact CD1-CB 3.86Å; I147-A173 HydrophobicContact CG2-CB 3.94Å; I148-A173 WeakPolarHBondContact O-CA 3.45Å; I148-A173 VanDerWaalsContact O-CB 3.32Å; I148-A173 WeakPolarHBondContact O-CB 3.03Å; F170-A173 HydrophobicContact CB-CB 4.12Å; F170-A173 HydrophobicContact CD1-CB 3.95Å; F170-A173 WeakPolarHBondContact O-CB 3.3Å; F170-A173 PolarHBondContact O-N 2.91Å
174R65.8Low63.5Low72 Ų7259.6 Ų59.627%0.27232%0.32SS..BIsolated β-bridgetrans-154.3168.8-177.1-63-163.6-161.3-158.66.3111.9I148 M180I148-R174 PolarHBondContact N-O 3.29Å; I148-R174 PolarHBondContact O-N 2.95Å; R174-M180 WeakPolarHBondContact CD-SD 3.16Å; R174-M180 VanDerWaalsContact NH1-CE 3.32Å; R174-M180 PolarHBondContact NH1-SD 2.83Å
175H53.9Low61.9Low47 Ų4756.4 Ų56.422%0.21831%0.312CS..  trans-64.1162.3170.8-163.7-107.5000112.8D146 D177 Q326D146-H175 PolarHBondContact O-CD2 2.93Å; H175-D177 VanDerWaalsContact C-N 3.33Å; H175-D177 IonicContact CE1-OD2 3.91Å; H175-D177 PolarHBondContact ND1-N 2.89Å; H175-D177 IonicContact ND1-OD2 2.8Å; H175-D177 PolarHBondContact O-N 3.3Å; H175-Q326 VanDerWaalsContact CB-OE1 3.3Å; H175-Q326 PolarHBondContact CD2-NE2 2.92Å
176T54.4Low60.5Low33 Ų3359.9 Ų59.920%0.20233%0.333CS..SBendtrans-66.9-27.217953.80000114.4I148 M203I148-T176 HydrophobicContact CD1-CG2 3.85Å; I148-T176 HydrophobicContact CG1-CG2 4.04Å; T176-M203 HydrophobicContact CG2-CE 4.07Å; T176-M203 HydrophobicContact CG2-CG 3.77Å; T176-M203 HydrophobicContact CG2-SD 4.4Å
177D47.6Very low59.9Low128 Ų12860.4 Ų60.468%0.68433%0.334SS*.SBendtrans-102.7-4.5-163.2-66.6-11.7000116H175H175-D177 VanDerWaalsContact C-N 3.33Å; H175-D177 IonicContact CE1-OD2 3.91Å; H175-D177 PolarHBondContact ND1-N 2.89Å; H175-D177 IonicContact ND1-OD2 2.8Å; H175-D177 PolarHBondContact O-N 3.3Å
178D46.7Very low59.7Low53 Ų5364.7 Ų64.728%0.28335%0.35SS..SBendtrans-83.6142.8-175.6-73-24000112.4M180D178-M180 HydrophobicContact CB-CE 3Å; D178-M180 WeakPolarHBondContact O-CE 3.18Å; D178-M180 VanDerWaalsContact O-CG 3.22Å; D178-M180 WeakPolarHBondContact O-CG 3.36Å
179E40.5Very low59.8Low188 Ų18863.2 Ų63.288%0.87934%0.342SS*.  trans-71132.5175.3-75.3-170.9162.300112.8
180M49Very low60.3Low18 Ų1862.7 Ų62.79%0.08934%0.337CS..  trans-131.7132.3-161.1-69.3-66.1148.800115.9R150 R174 D178 Y201R150-M180 PolarHBondContact NH1-SD 3.34Å; R174-M180 WeakPolarHBondContact CD-SD 3.16Å; R174-M180 VanDerWaalsContact NH1-CE 3.32Å; R174-M180 PolarHBondContact NH1-SD 2.83Å; D178-M180 HydrophobicContact CB-CE 3Å; D178-M180 WeakPolarHBondContact O-CE 3.18Å; D178-M180 VanDerWaalsContact O-CG 3.22Å; D178-M180 WeakPolarHBondContact O-CG 3.36Å; M180-Y201 HydrophobicContact CB-CE1 4.18Å; M180-Y201 WeakPolarHBondContact CB-OH 3.37Å; M180-Y201 WeakPolarHBondContact CG-OH 3.25Å
181T40.2Very low61.3Low123 Ų12362.6 Ų62.676%0.75534%0.336SS*.  trans-91.3147.1-178.3540000113.1
182G39.6Very low62.6Low81 Ų8162.6 Ų62.684%0.83534%0.336SS*.  trans-72.2138179.200000113.2
183Y48.4Very low63.6Low124 Ų12460.6 Ų60.649%0.48633%0.326SS..  trans-125.7150.4-177.7-173.4-105.5000113.3A185 R190Y183-A185 HydrophobicContact CD1-CB 4.03Å; Y183-A185 HydrophobicContact CE1-CB 3.97Å; Y183-A185 PolarHBondContact O-N 2.85Å; Y183-R190 PolarHBondContact O-NH1 3.3Å
184V43.4Very low64.4Low120 Ų12062 Ų6273%0.72733%0.333SS*.  trans-95.587.6-176.5-172.20000110.4
185A56.4Low64.6Low35 Ų3559.7 Ų59.729%0.28933%0.326SS..SBendtrans-138.4-176.9164.400000109.4Y183 R187Y183-A185 HydrophobicContact CD1-CB 4.03Å; Y183-A185 HydrophobicContact CE1-CB 3.97Å; Y183-A185 PolarHBondContact O-N 2.85Å; A185-R187 PolarHBondContact O-N 2.87Å
186T65.8Low65.3Low74 Ų7459.5 Ų59.545%0.45433%0.326SS..  trans-51.7114.3175.3-51.70000110W188T186-W188 HydrophobicContact CG2-CB 4.35Å; T186-W188 HydrophobicContact CG2-CD2 3.75Å; T186-W188 HydrophobicContact CG2-CE3 3.8Å; T186-W188 HydrophobicContact CG2-CG 4Å; T186-W188 HydrophobicContact CG2-CZ3 4.43Å
187R81.6Confident65.8Low46 Ų4662.7 Ų62.717%0.17434%0.342CS..  trans-93.2-4-170.966.9-173.470.888.3-3.2114.1A185 Y189 R190 M195 G226 T227A185-R187 PolarHBondContact O-N 2.87Å; R187-Y189 PolarHBondContact O-N 2.71Å; R187-Y189 VanDerWaalsContact O-N 3.16Å; R187-R190 PolarHBondContact O-N 3.46Å; R187-R190 VanDerWaalsContact O-N 3.08Å; R187-M195 HydrophobicContact CB-CE 4.23Å; R187-M195 HydrophobicContact CG-CE 4.26Å; R187-G226 PolarHBondContact NH1-O 2.85Å; R187-T227 PolarHBondContact NH1-O 2.9Å
188W91.5Very high66.8Low90 Ų9056.7 Ų56.734%0.34131%0.31SS..THydrogen-bonded Turntrans-62.4-27.8-164.8-59.4-23.6000115T186 T222 F224 G226 Q232T186-W188 HydrophobicContact CG2-CB 4.35Å; T186-W188 HydrophobicContact CG2-CD2 3.75Å; T186-W188 HydrophobicContact CG2-CE3 3.8Å; T186-W188 HydrophobicContact CG2-CG 4Å; T186-W188 HydrophobicContact CG2-CZ3 4.43Å; W188-T222 HydrophobicContact CB-CG2 3.87Å; W188-T222 HydrophobicContact CD2-CG2 3.97Å; W188-T222 HydrophobicContact CE3-CG2 3.69Å; W188-T222 HydrophobicContact CG-CG2 4.08Å; W188-T222 HydrophobicContact CZ3-CG2 4.46Å; W188-F224 WeakPolarHBondContact CB-O 3.42Å; W188-G226 PolarHBondContact NE1-O 3.32Å; W188-Q232 PolarHBondContact O-NE2 3.39Å
189Y93.3Very high67.5Low15 Ų1555.2 Ų55.26%0.05930%0.301CS..THydrogen-bonded Turntrans-102-3.1-178.6-51.6-84.3000112.9L152 K153 P154 R187 S209 C212 I213 E216L152-Y189 WeakPolarHBondContact O-CB 3.44Å; K153-Y189 HydrophobicContact CB-CD2 3.53Å; K153-Y189 HydrophobicContact CB-CE2 3.93Å; K153-Y189 HydrophobicContact CB-CG 4.05Å; P154-Y189 VanDerWaalsContact CD-CE1 3.47Å; P154-Y189 WeakPolarHBondContact CD-OH 3.41Å; P154-Y189 HydrophobicContact CG-CE1 3.84Å; P154-Y189 WeakPolarHBondContact CG-OH 3.21Å; R187-Y189 PolarHBondContact O-N 2.71Å; R187-Y189 VanDerWaalsContact O-N 3.16Å; Y189-S209 VanDerWaalsContact O-CA 3.31Å; Y189-S209 WeakPolarHBondContact O-CA 3.38Å; Y189-S209 WeakPolarHBondContact O-CB 3.25Å; Y189-S209 PolarHBondContact O-OG 2.95Å; Y189-C212 HydrophobicContact CD1-CB 3.87Å; Y189-I213 HydrophobicContact CD1-CG1 3.74Å; Y189-I213 HydrophobicContact CE1-CG1 3.99Å; Y189-E216 PolarHBondContact OH-OE2 2.98Å
190R89.8Confident68.6Low25 Ų2554.1 Ų54.19%0.09430%0.296CS..SBendtrans-77.4140-175-66.2-176.5179.8175.6-1.7111.3Y183 R187 M195 W208Y183-R190 PolarHBondContact O-NH1 3.3Å; R187-R190 PolarHBondContact O-N 3.46Å; R187-R190 VanDerWaalsContact O-N 3.08Å; R190-M195 HydrophobicContact CB-CG 3.97Å; R190-M195 HydrophobicContact CB-SD 4.32Å; R190-W208 PolarHBondContact O-NE1 2.8Å
191A91.2Very high69.6Low0 Ų054.3 Ų54.30%030%0.296CS..  trans-62.5142.9172.800000111.5E193 I194 M195 V205 W208A191-E193 VanDerWaalsContact CB-CD 3.43Å; A191-E193 HydrophobicContact CB-CG 4.31Å; A191-E193 VanDerWaalsContact CB-OE1 3.27Å; A191-E193 WeakPolarHBondContact CB-OE1 3.22Å; A191-E193 WeakPolarHBondContact CB-OE2 3.48Å; A191-E193 PolarHBondContact O-N 3.04Å; A191-I194 PolarHBondContact O-N 2.74Å; A191-I194 VanDerWaalsContact O-N 3.12Å; A191-M195 PolarHBondContact O-N 2.97Å; A191-V205 HydrophobicContact CB-CB 4Å; A191-V205 HydrophobicContact CB-CG1 4.05Å; A191-W208 VanDerWaalsContact CA-CD1 3.41Å; A191-W208 HydrophobicContact CB-CB 3.75Å; A191-W208 HydrophobicContact CB-CD2 4.45Å; A191-W208 HydrophobicContact CB-CG 3.79Å
192P89.4Confident71.4Confident0 Ų050.9 Ų50.90%027%0.273CS..Hα-helixtrans-59.6-30.5-17622.5-32.3000112.8M195 L196 W198 W208 L233 I236 L292P192-M195 PolarHBondContact O-N 3.36Å; P192-L196 PolarHBondContact O-N 2.64Å; P192-L196 VanDerWaalsContact O-N 3.13Å; P192-W198 HydrophobicContact CB-CZ2 3.97Å; P192-W198 HydrophobicContact CG-CZ2 4.48Å; P192-W208 HydrophobicContact CG-CH2 4.22Å; P192-W208 HydrophobicContact CG-CZ2 4.34Å; P192-W208 HydrophobicContact CG-CZ3 4.33Å; P192-L233 HydrophobicContact CB-CD1 4.08Å; P192-I236 HydrophobicContact CB-CD1 4.21Å; P192-L292 HydrophobicContact CG-CD2 3.84Å
193E85.4Confident73.8Confident1 Ų148.5 Ų48.51%0.00524%0.24CC..Hα-helixtrans-67.1-35176.762.6-84.2-163.400114.7A191 M195 N197 W198 V205 T294 R297A191-E193 VanDerWaalsContact CB-CD 3.43Å; A191-E193 HydrophobicContact CB-CG 4.31Å; A191-E193 VanDerWaalsContact CB-OE1 3.27Å; A191-E193 WeakPolarHBondContact CB-OE1 3.22Å; A191-E193 WeakPolarHBondContact CB-OE2 3.48Å; A191-E193 PolarHBondContact O-N 3.04Å; E193-M195 VanDerWaalsContact C-N 3.33Å; E193-N197 WeakPolarHBondContact O-CA 3.4Å; E193-N197 PolarHBondContact O-N 3.28Å; E193-N197 VanDerWaalsContact O-N 3.08Å; E193-W198 VanDerWaalsContact CB-NE1 3.33Å; E193-V205 HydrophobicContact CG-CG1 4.07Å; E193-V205 WeakPolarHBondContact OE1-CG1 3.47Å; E193-T294 HydrophobicContact CG-CG2 3.92Å; E193-T294 VanDerWaalsContact OE1-CG2 3.22Å; E193-T294 WeakPolarHBondContact OE1-CG2 3.48Å; E193-R297 IonicContact OE1-CZ 2.98Å; E193-R297 IonicContact OE1-NH1 2.74Å; E193-R297 PolarHBondContact OE1-NH1 3.46Å; E193-R297 IonicContact OE1-NH2 3.06Å; E193-R297 PolarHBondContact OE1-NH2 3.25Å; E193-R297 VanDerWaalsContact OE1-NH2 3.07Å; E193-R297 IonicContact OE2-NH2 3.27Å; E193-R297 PolarHBondContact OE2-NH2 3.31Å
194I77.9Confident75.8Confident28 Ų2843.1 Ų43.114%0.14422%0.22CC..Hα-helixtrans-69.3-37.7171.5-66.6-178.9000110.1A191 L196 Y201 V205A191-I194 PolarHBondContact O-N 2.74Å; A191-I194 VanDerWaalsContact O-N 3.12Å; I194-L196 VanDerWaalsContact C-N 3.33Å; I194-L196 PolarHBondContact O-N 2.83Å; I194-Y201 HydrophobicContact CG1-CD1 4.36Å; I194-Y201 HydrophobicContact CG1-CD2 4.28Å; I194-Y201 HydrophobicContact CG1-CE2 4.46Å; I194-Y201 HydrophobicContact CG1-CG 4.2Å; I194-V205 HydrophobicContact CD1-CB 3.59Å; I194-V205 HydrophobicContact CD1-CG1 3.68Å; I194-V205 HydrophobicContact CD1-CG2 3.84Å; I194-V205 HydrophobicContact CG1-CB 4.26Å; I194-V205 HydrophobicContact CG1-CG1 3.8Å
195M70.9Confident78.2Confident25 Ų2537.4 Ų37.412%0.12319%0.186CC..Hα-helixtrans-70.1-30-175.1-68.1-170.958.200113.7R187 R190 A191 P192 E193 H229 Q232R187-M195 HydrophobicContact CB-CE 4.23Å; R187-M195 HydrophobicContact CG-CE 4.26Å; R190-M195 HydrophobicContact CB-CG 3.97Å; R190-M195 HydrophobicContact CB-SD 4.32Å; A191-M195 PolarHBondContact O-N 2.97Å; P192-M195 PolarHBondContact O-N 3.36Å; E193-M195 VanDerWaalsContact C-N 3.33Å; M195-H229 HydrophobicContact CE-CB 4.31Å; M195-Q232 HydrophobicContact CE-CB 3.61Å; M195-Q232 HydrophobicContact CE-CG 3.56Å; M195-Q232 HydrophobicContact SD-CB 4.37Å; M195-Q232 HydrophobicContact SD-CG 3.65Å
196L67.2Low80.1Confident43 Ų4335.8 Ų35.823%0.22517%0.172CC..Hα-helixtrans-110.4-3.8-173.8-63.3169.4000113P192 I194 W198 L233P192-L196 PolarHBondContact O-N 2.64Å; P192-L196 VanDerWaalsContact O-N 3.13Å; I194-L196 VanDerWaalsContact C-N 3.33Å; I194-L196 PolarHBondContact O-N 2.83Å; L196-W198 HydrophobicContact CB-CB 3.92Å; L196-W198 HydrophobicContact CB-CD2 3.78Å; L196-W198 HydrophobicContact CB-CE3 3.89Å; L196-W198 HydrophobicContact CB-CG 3.81Å; L196-W198 HydrophobicContact CD1-CD2 3.71Å; L196-W198 HydrophobicContact CD1-CE3 3.21Å; L196-W198 HydrophobicContact CD1-CH2 3.64Å; L196-W198 HydrophobicContact CD1-CZ2 4.1Å; L196-W198 HydrophobicContact CD1-CZ3 3.14Å; L196-W198 HydrophobicContact CG-CD2 4.39Å; L196-W198 HydrophobicContact CG-CE3 4.17Å; L196-W198 HydrophobicContact CG-CZ3 4.47Å; L196-W198 PolarHBondContact O-N 3.49Å; L196-W198 VanDerWaalsContact O-N 3.11Å; L196-L233 HydrophobicContact CD1-CD1 3.64Å; L196-L233 HydrophobicContact CD1-CD2 3.45Å; L196-L233 VanDerWaalsContact CD1-CD2 3.45Å; L196-L233 HydrophobicContact CD1-CG 4.05Å; L196-L233 HydrophobicContact CD2-CD2 4.39Å
197N66.5Low81.6Confident100 Ų10032.2 Ų32.254%0.53515%0.15SC..THydrogen-bonded Turntrans47.636.6-174.3-157.634.8000112.2E193E193-N197 WeakPolarHBondContact O-CA 3.4Å; E193-N197 PolarHBondContact O-N 3.28Å; E193-N197 VanDerWaalsContact O-N 3.08Å
198W67.6Low82.4Confident1 Ų130 Ų300%0.00414%0.142CC..  trans-101.43.6-162.671.12000114P192 E193 L196 L233 P243 M251 P252 A256 I260P192-W198 HydrophobicContact CB-CZ2 3.97Å; P192-W198 HydrophobicContact CG-CZ2 4.48Å; E193-W198 VanDerWaalsContact CB-NE1 3.33Å; L196-W198 HydrophobicContact CB-CB 3.92Å; L196-W198 HydrophobicContact CB-CD2 3.78Å; L196-W198 HydrophobicContact CB-CE3 3.89Å; L196-W198 HydrophobicContact CB-CG 3.81Å; L196-W198 HydrophobicContact CD1-CD2 3.71Å; L196-W198 HydrophobicContact CD1-CE3 3.21Å; L196-W198 HydrophobicContact CD1-CH2 3.64Å; L196-W198 HydrophobicContact CD1-CZ2 4.1Å; L196-W198 HydrophobicContact CD1-CZ3 3.14Å; L196-W198 HydrophobicContact CG-CD2 4.39Å; L196-W198 HydrophobicContact CG-CE3 4.17Å; L196-W198 HydrophobicContact CG-CZ3 4.47Å; L196-W198 PolarHBondContact O-N 3.49Å; L196-W198 VanDerWaalsContact O-N 3.11Å; W198-L233 HydrophobicContact CH2-CD1 3.99Å; W198-L233 HydrophobicContact CZ3-CD1 4.43Å; W198-L233 HydrophobicContact CZ3-CD2 4.37Å; W198-P243 HydrophobicContact CH2-CG 4.29Å; W198-M251 HydrophobicContact CB-SD 4.43Å; W198-M251 HydrophobicContact CD2-CE 3.22Å; W198-M251 HydrophobicContact CD2-SD 3.86Å; W198-M251 HydrophobicContact CE3-CE 3.24Å; W198-M251 HydrophobicContact CE3-SD 3.63Å; W198-M251 HydrophobicContact CG-CE 3.91Å; W198-M251 HydrophobicContact CG-CG 4.46Å; W198-M251 HydrophobicContact CG-SD 4.22Å; W198-M251 HydrophobicContact CH2-CE 3.65Å; W198-M251 HydrophobicContact CZ2-CE 3.6Å; W198-M251 HydrophobicContact CZ3-CE 3.48Å; W198-M251 VanDerWaalsContact CZ3-CE 3.48Å; W198-M251 HydrophobicContact CZ3-SD 4.21Å; W198-M251 VanDerWaalsContact O-CA 3.24Å; W198-M251 WeakPolarHBondContact O-CA 3.2Å; W198-M251 WeakPolarHBondContact O-CB 3.44Å; W198-P252 WeakPolarHBondContact O-CD 3.48Å; W198-A256 HydrophobicContact CB-CB 3.89Å; W198-A256 HydrophobicContact CE3-CB 4.26Å; W198-I260 HydrophobicContact CE3-CD1 3.5Å; W198-I260 HydrophobicContact CE3-CG1 4.34Å; W198-I260 HydrophobicContact CH2-CD1 4.05Å; W198-I260 HydrophobicContact CZ3-CD1 3.12Å; W198-I260 HydrophobicContact CZ3-CG1 3.7Å
199M61Low82.6Confident22 Ų2226 Ų2611%0.10813%0.127CC..SBendtrans-160.1154.9174.6-66.4-167.371.400108.9Y201 L247 R250 M251M199-Y201 PolarHBondContact O-N 3.08Å; M199-L247 HydrophobicContact CE-CD1 4.32Å; M199-L247 HydrophobicContact SD-CD1 3.66Å; M199-R250 HydrophobicContact CE-CB 3.88Å; M199-M251 HydrophobicContact CG-CG 4.17Å
200H64.3Low82.9Confident166 Ų16625.2 Ų25.277%0.76912%0.124SC*.  trans-58.7129.8158.4-67.8-72.6000107.4
201Y69.4Low83.3Confident22 Ų2224 Ų249%0.08612%0.12CC..  trans-110.7149.5-179.860.6-92.8000109I148 R150 M180 I194 M199 V205I148-Y201 HydrophobicContact CD1-CD2 4.4Å; I148-Y201 HydrophobicContact CD1-CE2 4.39Å; R150-Y201 PolarHBondContact NE-OH 3.17Å; R150-Y201 PolarHBondContact NH2-OH 3.42Å; M180-Y201 HydrophobicContact CB-CE1 4.18Å; M180-Y201 WeakPolarHBondContact CB-OH 3.37Å; M180-Y201 WeakPolarHBondContact CG-OH 3.25Å; I194-Y201 HydrophobicContact CG1-CD1 4.36Å; I194-Y201 HydrophobicContact CG1-CD2 4.28Å; I194-Y201 HydrophobicContact CG1-CE2 4.46Å; I194-Y201 HydrophobicContact CG1-CG 4.2Å; M199-Y201 PolarHBondContact O-N 3.08Å; Y201-V205 HydrophobicContact CD2-CG1 3.81Å; Y201-V205 HydrophobicContact CD2-CG2 4.4Å; Y201-V205 HydrophobicContact CG-CG1 4.01Å
202N79.8Confident83.6Confident51 Ų5124.1 Ų24.127%0.27312%0.12SC..  trans-118-167.2-179.762.819.9000109.2T204 V205N202-T204 PolarHBondContact O-N 3.39Å; N202-T204 VanDerWaalsContact OD1-CB 3.24Å; N202-T204 WeakPolarHBondContact OD1-CB 3.37Å; N202-T204 VanDerWaalsContact OD1-CG2 3.25Å; N202-T204 WeakPolarHBondContact OD1-CG2 3.3Å; N202-T204 PolarHBondContact OD1-N 3.02Å; N202-T204 PolarHBondContact OD1-OG1 2.97Å; N202-V205 WeakPolarHBondContact O-CG1 3.48Å; N202-V205 WeakPolarHBondContact O-CG2 3.36Å; N202-V205 PolarHBondContact O-N 2.97Å
203M88Confident84Confident31 Ų3124.1 Ų24.115%0.15312%0.12CC..THydrogen-bonded Turntrans-59.7-20.7-177.2-33.8-167.810100113.4H143 D146 I147 I148 T176 V205 D206H143-M203 VanDerWaalsContact CA-CE 3.48Å; H143-M203 HydrophobicContact CB-CB 4.44Å; H143-M203 HydrophobicContact CB-CE 3.94Å; H143-M203 HydrophobicContact CB-SD 3.6Å; H143-M203 VanDerWaalsContact CB-SD 3.6Å; H143-M203 VanDerWaalsContact CE1-CB 3.5Å; H143-M203 WeakPolarHBondContact CE1-CB 3.43Å; H143-M203 PolarHBondContact CE1-O 3.1Å; H143-M203 PolarHBondContact NE2-O 3.05Å; H143-M203 WeakPolarHBondContact O-CE 3.07Å; D146-M203 VanDerWaalsContact C-CE 3.41Å; D146-M203 VanDerWaalsContact CA-CE 3.45Å; I147-M203 VanDerWaalsContact N-CE 3.32Å; I147-M203 VanDerWaalsContact O-CE 3.27Å; I147-M203 WeakPolarHBondContact O-CE 3.42Å; I148-M203 HydrophobicContact CG1-CB 4.45Å; I148-M203 HydrophobicContact CG1-CE 4.32Å; I148-M203 HydrophobicContact CG1-CG 4.25Å; T176-M203 HydrophobicContact CG2-CE 4.07Å; T176-M203 HydrophobicContact CG2-CG 3.77Å; T176-M203 HydrophobicContact CG2-SD 4.4Å; M203-V205 PolarHBondContact O-N 2.95Å; M203-D206 PolarHBondContact O-N 2.85Å; M203-D206 VanDerWaalsContact O-N 3.1Å
204T92.3Very high84.6Confident11 Ų1124 Ų247%0.06712%0.12CC..Hα-helixtrans-65.8-10.4-179.973.20000113.8N202 D206 I207 W208 R297N202-T204 PolarHBondContact O-N 3.39Å; N202-T204 VanDerWaalsContact OD1-CB 3.24Å; N202-T204 WeakPolarHBondContact OD1-CB 3.37Å; N202-T204 VanDerWaalsContact OD1-CG2 3.25Å; N202-T204 WeakPolarHBondContact OD1-CG2 3.3Å; N202-T204 PolarHBondContact OD1-N 3.02Å; N202-T204 PolarHBondContact OD1-OG1 2.97Å; T204-D206 PolarHBondContact O-N 3.45Å; T204-I207 WeakPolarHBondContact O-CB 3.34Å; T204-I207 PolarHBondContact O-N 3.22Å; T204-I207 VanDerWaalsContact O-N 3.13Å; T204-W208 PolarHBondContact O-N 3.47Å; T204-W208 VanDerWaalsContact O-N 3.17Å; T204-R297 VanDerWaalsContact C-NH1 3.31Å; T204-R297 HydrophobicContact CG2-CB 4.42Å; T204-R297 VanDerWaalsContact O-CD 3.26Å; T204-R297 WeakPolarHBondContact O-CD 3.37Å; T204-R297 PolarHBondContact O-NH1 2.85Å; T204-R297 PolarHBondContact OG1-NH1 3.2Å
205V92.9Very high85.6Confident0 Ų022.7 Ų22.70%011%0.113CC..Hα-helixtrans-60.6-32.5170.5-63.30000112.4I148 A191 E193 I194 Y201 N202 M203 I207 W208 S209I148-V205 HydrophobicContact CG2-CG2 3.4Å; I148-V205 VanDerWaalsContact CG2-CG2 3.4Å; A191-V205 HydrophobicContact CB-CB 4Å; A191-V205 HydrophobicContact CB-CG1 4.05Å; E193-V205 HydrophobicContact CG-CG1 4.07Å; E193-V205 WeakPolarHBondContact OE1-CG1 3.47Å; I194-V205 HydrophobicContact CD1-CB 3.59Å; I194-V205 HydrophobicContact CD1-CG1 3.68Å; I194-V205 HydrophobicContact CD1-CG2 3.84Å; I194-V205 HydrophobicContact CG1-CB 4.26Å; I194-V205 HydrophobicContact CG1-CG1 3.8Å; Y201-V205 HydrophobicContact CD2-CG1 3.81Å; Y201-V205 HydrophobicContact CD2-CG2 4.4Å; Y201-V205 HydrophobicContact CG-CG1 4.01Å; N202-V205 WeakPolarHBondContact O-CG1 3.48Å; N202-V205 WeakPolarHBondContact O-CG2 3.36Å; N202-V205 PolarHBondContact O-N 2.97Å; M203-V205 PolarHBondContact O-N 2.95Å; V205-I207 VanDerWaalsContact C-N 3.34Å; V205-W208 PolarHBondContact O-N 3.13Å; V205-S209 PolarHBondContact O-N 2.84Å; V205-S209 PolarHBondContact O-OG 3.26Å; V205-S209 VanDerWaalsContact O-OG 3.1Å
206D95.6Very high86.7Confident0 Ų022.2 Ų22.20%011%0.111CC..Hα-helixtrans-71.3-35.6176.3-68.1-28.4000110L139 H143 I148 H149 R150 L152 M203 T204 W208 S209 V210L139-D206 HydrophobicContact CD1-CB 3.8Å; L139-D206 HydrophobicContact CD2-CB 3.66Å; L139-D206 HydrophobicContact CG-CB 4.28Å; H143-D206 IonicContact CD2-OD2 3.92Å; H143-D206 IonicContact CE1-OD2 3.32Å; H143-D206 IonicContact NE2-OD2 3.82Å; H143-D206 PolarHBondContact NE2-OD2 3.42Å; I148-D206 WeakPolarHBondContact CG2-OD2 3.5Å; H149-D206 PolarHBondContact N-OD2 2.93Å; R150-D206 PolarHBondContact N-OD1 3.04Å; L152-D206 HydrophobicContact CD1-CB 3.83Å; M203-D206 PolarHBondContact O-N 2.85Å; M203-D206 VanDerWaalsContact O-N 3.1Å; T204-D206 PolarHBondContact O-N 3.45Å; D206-W208 VanDerWaalsContact C-N 3.34Å; D206-W208 PolarHBondContact O-N 3.01Å; D206-S209 CarbonylContact O-C 3.56Å; D206-S209 WeakPolarHBondContact O-CA 3.22Å; D206-S209 WeakPolarHBondContact O-CB 3.45Å; D206-S209 PolarHBondContact O-N 2.89Å; D206-V210 WeakPolarHBondContact O-CG2 3.13Å; D206-V210 PolarHBondContact O-N 3.34Å
207I98.3Very high88Confident0 Ų020.6 Ų20.60%010%0.102CC..Hα-helixtrans-63.8-37.4175.5-57-65.8000112.2L136 L139 T204 V205 S209 V210 G211 M289 R297 I298 A300L136-I207 HydrophobicContact CD2-CD1 3.9Å; L139-I207 HydrophobicContact CD2-CD1 3.76Å; T204-I207 WeakPolarHBondContact O-CB 3.34Å; T204-I207 PolarHBondContact O-N 3.22Å; T204-I207 VanDerWaalsContact O-N 3.13Å; V205-I207 VanDerWaalsContact C-N 3.34Å; I207-S209 VanDerWaalsContact C-N 3.26Å; I207-S209 PolarHBondContact O-N 3.1Å; I207-V210 PolarHBondContact O-N 2.81Å; I207-G211 PolarHBondContact O-N 3.06Å; I207-M289 HydrophobicContact CG2-CB 3.99Å; I207-M289 HydrophobicContact CG2-CG 3.72Å; I207-R297 HydrophobicContact CB-CG 4.42Å; I207-R297 HydrophobicContact CG2-CG 4.09Å; I207-I298 WeakPolarHBondContact CG1-O 3.48Å; I207-I298 HydrophobicContact CG2-CG2 3.96Å; I207-I298 WeakPolarHBondContact CG2-O 3.32Å; I207-A300 HydrophobicContact CD1-CB 4.04Å
208W97.6Very high89.4Confident0 Ų018 Ų180%09%0.088CC..Hα-helixtrans-58.7-43.4171.2179.3-81.7000111.4R190 A191 P192 T204 V205 D206 V210 G211 C212 F224 I236 T240 L290 L292R190-W208 PolarHBondContact O-NE1 2.8Å; A191-W208 VanDerWaalsContact CA-CD1 3.41Å; A191-W208 HydrophobicContact CB-CB 3.75Å; A191-W208 HydrophobicContact CB-CD2 4.45Å; A191-W208 HydrophobicContact CB-CG 3.79Å; P192-W208 HydrophobicContact CG-CH2 4.22Å; P192-W208 HydrophobicContact CG-CZ2 4.34Å; P192-W208 HydrophobicContact CG-CZ3 4.33Å; T204-W208 PolarHBondContact O-N 3.47Å; T204-W208 VanDerWaalsContact O-N 3.17Å; V205-W208 PolarHBondContact O-N 3.13Å; D206-W208 VanDerWaalsContact C-N 3.34Å; D206-W208 PolarHBondContact O-N 3.01Å; W208-V210 VanDerWaalsContact C-N 3.35Å; W208-G211 PolarHBondContact O-N 3.45Å; W208-C212 PolarHBondContact NE1-SG 3.41Å; W208-C212 VanDerWaalsContact NE1-SG 3.39Å; W208-C212 PolarHBondContact O-N 2.94Å; W208-C212 PolarHBondContact O-SG 2.92Å; W208-F224 HydrophobicContact CH2-CE2 4.49Å; W208-F224 HydrophobicContact CZ2-CD2 4.42Å; W208-F224 AromaticContact CZ2-CE2 3.63Å; W208-F224 HydrophobicContact CZ2-CE2 3.63Å; W208-F224 HydrophobicContact CZ2-CZ 4.13Å; W208-I236 HydrophobicContact CH2-CG2 3.53Å; W208-I236 HydrophobicContact CZ2-CB 4.44Å; W208-I236 HydrophobicContact CZ2-CD1 3.9Å; W208-I236 HydrophobicContact CZ2-CG1 3.94Å; W208-I236 HydrophobicContact CZ2-CG2 3.7Å; W208-T240 HydrophobicContact CH2-CG2 4.05Å; W208-L290 HydrophobicContact CD2-CD2 4.17Å; W208-L290 HydrophobicContact CE3-CD2 4.26Å; W208-L290 HydrophobicContact CH2-CD2 4.42Å; W208-L290 HydrophobicContact CZ2-CD2 4.33Å; W208-L290 HydrophobicContact CZ3-CB 4.46Å; W208-L290 HydrophobicContact CZ3-CD2 4.4Å; W208-L292 HydrophobicContact CH2-CD2 4.08Å; W208-L292 HydrophobicContact CZ3-CD2 4.22Å
209S97.1Very high90.6Very high4 Ų420.9 Ų20.93%0.02811%0.106CC..Hα-helixtrans-61.4-44.4177.4-48.30000110.6Y189 V205 D206 I207 G211 C212 I213Y189-S209 VanDerWaalsContact O-CA 3.31Å; Y189-S209 WeakPolarHBondContact O-CA 3.38Å; Y189-S209 WeakPolarHBondContact O-CB 3.25Å; Y189-S209 PolarHBondContact O-OG 2.95Å; V205-S209 PolarHBondContact O-N 2.84Å; V205-S209 PolarHBondContact O-OG 3.26Å; V205-S209 VanDerWaalsContact O-OG 3.1Å; D206-S209 CarbonylContact O-C 3.56Å; D206-S209 WeakPolarHBondContact O-CA 3.22Å; D206-S209 WeakPolarHBondContact O-CB 3.45Å; D206-S209 PolarHBondContact O-N 2.89Å; I207-S209 VanDerWaalsContact C-N 3.26Å; I207-S209 PolarHBondContact O-N 3.1Å; S209-G211 PolarHBondContact O-N 3.48Å; S209-C212 WeakPolarHBondContact O-CB 3.24Å; S209-C212 PolarHBondContact O-N 3.34Å; S209-I213 VanDerWaalsContact O-CG1 3.25Å; S209-I213 WeakPolarHBondContact O-CG1 3.49Å; S209-I213 PolarHBondContact O-N 2.99Å
210V98.5Very high92Very high0 Ų022.1 Ų22.10%012%0.124CC..Hα-helixtrans-58.7-45173.9179.60000111.4I132 I135 L136 L139 L152 D206 I207 W208 C212 I213 M214 M289I132-V210 HydrophobicContact CD1-CG1 4.47Å; I132-V210 HydrophobicContact CG2-CG1 3.93Å; I135-V210 HydrophobicContact CG2-CG2 3.69Å; L136-V210 HydrophobicContact CD2-CG1 4.15Å; L136-V210 HydrophobicContact CG-CG1 4.42Å; L139-V210 HydrophobicContact CD2-CG2 4.12Å; L152-V210 HydrophobicContact CD1-CG2 4.14Å; D206-V210 WeakPolarHBondContact O-CG2 3.13Å; D206-V210 PolarHBondContact O-N 3.34Å; I207-V210 PolarHBondContact O-N 2.81Å; W208-V210 VanDerWaalsContact C-N 3.35Å; V210-C212 VanDerWaalsContact C-N 3.31Å; V210-C212 PolarHBondContact O-N 3.24Å; V210-I213 PolarHBondContact O-N 3.06Å; V210-M214 WeakPolarHBondContact O-CB 3.39Å; V210-M214 PolarHBondContact O-N 3.22Å; V210-M289 HydrophobicContact CB-SD 4.44Å; V210-M289 HydrophobicContact CG1-CE 3.89Å; V210-M289 HydrophobicContact CG1-SD 4Å
211G98.6Very high93.3Very high0 Ų023.6 Ų23.60%012%0.123CC..Hα-helixtrans-60.2-38.9176.200000113I207 W208 S209 A215 L286I207-G211 PolarHBondContact O-N 3.06Å; W208-G211 PolarHBondContact O-N 3.45Å; S209-G211 PolarHBondContact O-N 3.48Å; G211-A215 WeakPolarHBondContact O-CB 3.28Å; G211-A215 PolarHBondContact O-N 3.22Å; G211-L286 WeakPolarHBondContact O-CD2 3.5Å
212C98.1Very high94.5Very high1 Ų124.1 Ų24.11%0.00713%0.129CC..Hα-helixtrans-67.9-41.1175.5-65.90000112.2Y189 W208 S209 V210 E216 F224Y189-C212 HydrophobicContact CD1-CB 3.87Å; W208-C212 PolarHBondContact NE1-SG 3.41Å; W208-C212 VanDerWaalsContact NE1-SG 3.39Å; W208-C212 PolarHBondContact O-N 2.94Å; W208-C212 PolarHBondContact O-SG 2.92Å; S209-C212 WeakPolarHBondContact O-CB 3.24Å; S209-C212 PolarHBondContact O-N 3.34Å; V210-C212 VanDerWaalsContact C-N 3.31Å; V210-C212 PolarHBondContact O-N 3.24Å; C212-E216 PolarHBondContact O-N 3.1Å; C212-E216 VanDerWaalsContact O-N 3.1Å; C212-F224 VanDerWaalsContact SG-CE2 3.56Å
213I97.4Very high95.3Very high0 Ų023.2 Ų23.20%012%0.124CC..Hα-helixtrans-64.8-50.4176.8-66.6164.6000109.7L114 I132 I135 P154 L157 Y189 S209 V210 A215 E216 L217L114-I213 HydrophobicContact CD2-CG2 3.93Å; I132-I213 HydrophobicContact CD1-CG2 4.4Å; I135-I213 HydrophobicContact CD1-CG2 4.48Å; P154-I213 HydrophobicContact CG-CG1 4.1Å; P154-I213 HydrophobicContact CG-CG2 4.48Å; L157-I213 HydrophobicContact CD1-CD1 3.83Å; L157-I213 HydrophobicContact CD1-CG2 4.23Å; Y189-I213 HydrophobicContact CD1-CG1 3.74Å; Y189-I213 HydrophobicContact CE1-CG1 3.99Å; S209-I213 VanDerWaalsContact O-CG1 3.25Å; S209-I213 WeakPolarHBondContact O-CG1 3.49Å; S209-I213 PolarHBondContact O-N 2.99Å; V210-I213 PolarHBondContact O-N 3.06Å; I213-A215 VanDerWaalsContact C-N 3.33Å; I213-A215 PolarHBondContact O-N 3.35Å; I213-E216 CarbonylContact O-C 3.49Å; I213-E216 WeakPolarHBondContact O-CA 3.42Å; I213-E216 WeakPolarHBondContact O-CB 2.99Å; I213-E216 PolarHBondContact O-N 3.47Å; I213-L217 HydrophobicContact CG2-CD1 4.44Å; I213-L217 HydrophobicContact CG2-CG 4.29Å; I213-L217 WeakPolarHBondContact O-CG 3.37Å; I213-L217 PolarHBondContact O-N 2.81Å
214M98.1Very high95.7Very high0 Ų022 Ų220%012%0.117CC..Hα-helixtrans-56.1-45.6178.1-179.9174178.200112.1V128 I132 V210 E216 L217 L218 A282 L285 L286 M289 Y308V128-M214 HydrophobicContact CG1-CG 4.27Å; I132-M214 HydrophobicContact CD1-CB 3.72Å; I132-M214 HydrophobicContact CD1-CG 4.29Å; I132-M214 HydrophobicContact CG1-CB 3.95Å; I132-M214 HydrophobicContact CG1-CG 3.95Å; I132-M214 HydrophobicContact CG1-SD 4.34Å; I132-M214 HydrophobicContact CG2-SD 4.27Å; V210-M214 WeakPolarHBondContact O-CB 3.39Å; V210-M214 PolarHBondContact O-N 3.22Å; M214-E216 VanDerWaalsContact C-N 3.29Å; M214-E216 PolarHBondContact O-N 3.29Å; M214-L217 PolarHBondContact O-N 3.36Å; M214-L218 HydrophobicContact CE-CD1 4.22Å; M214-L218 HydrophobicContact CG-CD1 4.08Å; M214-L218 WeakPolarHBondContact O-CG 3.37Å; M214-L218 PolarHBondContact O-N 3.32Å; M214-A282 HydrophobicContact CE-CB 3.59Å; M214-L285 HydrophobicContact CE-CB 4.41Å; M214-L285 HydrophobicContact CE-CD2 4.1Å; M214-L285 HydrophobicContact SD-CD2 4Å; M214-L285 HydrophobicContact SD-CG 4.38Å; M214-L286 HydrophobicContact CB-CD2 3.99Å; M214-L286 HydrophobicContact CE-CG 4.4Å; M214-L286 HydrophobicContact CG-CD2 3.96Å; M214-L286 HydrophobicContact CG-CG 4.36Å; M214-L286 HydrophobicContact SD-CD2 4.07Å; M214-L286 HydrophobicContact SD-CG 4.16Å; M214-M289 HydrophobicContact SD-SD 4.42Å; M214-Y308 HydrophobicContact CE-CD1 4.01Å; M214-Y308 HydrophobicContact CE-CE1 3.57Å
215A97.5Very high95.7Very high0 Ų024.3 Ų24.30%013%0.133CC..Hα-helixtrans-61.2-38175.100000112.7G211 I213 T219 L223 F275 L286G211-A215 WeakPolarHBondContact O-CB 3.28Å; G211-A215 PolarHBondContact O-N 3.22Å; I213-A215 VanDerWaalsContact C-N 3.33Å; I213-A215 PolarHBondContact O-N 3.35Å; A215-T219 WeakPolarHBondContact O-CB 3.42Å; A215-T219 WeakPolarHBondContact O-CG2 3.43Å; A215-T219 PolarHBondContact O-N 3.11Å; A215-T219 VanDerWaalsContact O-N 3.13Å; A215-T219 PolarHBondContact O-OG1 3.13Å; A215-L223 HydrophobicContact CB-CB 4.12Å; A215-L223 HydrophobicContact CB-CD1 4.02Å; A215-L223 HydrophobicContact CB-CD2 3.74Å; A215-L223 HydrophobicContact CB-CG 4.17Å; A215-F275 HydrophobicContact CB-CE1 3.75Å; A215-F275 HydrophobicContact CB-CZ 4Å; A215-L286 HydrophobicContact CB-CD1 4.47Å; A215-L286 HydrophobicContact CB-CD2 4.12Å
216E95.7Very high95.6Very high15 Ų1524.4 Ų24.47%0.0713%0.134CC..Hα-helixtrans-68.3-39.5175.2179.1163.9163.600112.1V118 Y189 C212 I213 M214 L218 T219 G220 R221 T222V118-E216 HydrophobicContact CG1-CG 4.1Å; Y189-E216 PolarHBondContact OH-OE2 2.98Å; C212-E216 PolarHBondContact O-N 3.1Å; C212-E216 VanDerWaalsContact O-N 3.1Å; I213-E216 CarbonylContact O-C 3.49Å; I213-E216 WeakPolarHBondContact O-CA 3.42Å; I213-E216 WeakPolarHBondContact O-CB 2.99Å; I213-E216 PolarHBondContact O-N 3.47Å; M214-E216 VanDerWaalsContact C-N 3.29Å; M214-E216 PolarHBondContact O-N 3.29Å; E216-L218 VanDerWaalsContact C-N 3.35Å; E216-L218 PolarHBondContact O-N 3.43Å; E216-T219 PolarHBondContact O-N 2.94Å; E216-G220 VanDerWaalsContact O-CA 3.23Å; E216-G220 WeakPolarHBondContact O-CA 3.34Å; E216-G220 PolarHBondContact O-N 2.92Å; E216-R221 WeakPolarHBondContact CA-O 3.41Å; E216-T222 WeakPolarHBondContact OE2-CA 3.49Å; E216-T222 WeakPolarHBondContact OE2-CB 3.44Å; E216-T222 PolarHBondContact OE2-OG1 3.19Å
217L94.7Very high95.2Very high9 Ų929.4 Ų29.45%0.04717%0.165CC..Hα-helixtrans-62.8-41.2175.1-59.3-170.6000112L114 V118 L123 V128 L131 I132 I213 M214L114-L217 HydrophobicContact CD1-CD2 4.01Å; L114-L217 HydrophobicContact CD2-CD1 4.32Å; L114-L217 HydrophobicContact CD2-CD2 3.95Å; L114-L217 HydrophobicContact CG-CD2 4.01Å; V118-L217 HydrophobicContact CG2-CD2 3.2Å; L123-L217 HydrophobicContact CD1-CB 4.24Å; L123-L217 HydrophobicContact CD1-CD1 4.43Å; L123-L217 HydrophobicContact CD1-CD2 3.88Å; L123-L217 HydrophobicContact CD1-CG 4.4Å; V128-L217 HydrophobicContact CG1-CB 4.18Å; V128-L217 HydrophobicContact CG1-CD1 4.35Å; V128-L217 HydrophobicContact CG2-CB 3.81Å; L131-L217 HydrophobicContact CB-CD1 4.35Å; L131-L217 HydrophobicContact CD1-CD1 4.3Å; I132-L217 HydrophobicContact CD1-CD1 3.86Å; I132-L217 HydrophobicContact CG1-CD1 4.33Å; I213-L217 HydrophobicContact CG2-CD1 4.44Å; I213-L217 HydrophobicContact CG2-CG 4.29Å; I213-L217 WeakPolarHBondContact O-CG 3.37Å; I213-L217 PolarHBondContact O-N 2.81Å; M214-L217 PolarHBondContact O-N 3.36Å
218L94.6Very high94.6Very high45 Ų4532.7 Ų32.724%0.23618%0.182CC..Hα-helixtrans-70-33.2-179.9-70.7166.9000112.9V128 M214 E216 A282 L286V128-L218 HydrophobicContact CB-CD2 4.4Å; V128-L218 HydrophobicContact CG1-CD2 4.07Å; V128-L218 HydrophobicContact CG1-CG 4.16Å; V128-L218 HydrophobicContact CG2-CD2 4.21Å; M214-L218 HydrophobicContact CE-CD1 4.22Å; M214-L218 HydrophobicContact CG-CD1 4.08Å; M214-L218 WeakPolarHBondContact O-CG 3.37Å; M214-L218 PolarHBondContact O-N 3.32Å; E216-L218 VanDerWaalsContact C-N 3.35Å; E216-L218 PolarHBondContact O-N 3.43Å; L218-A282 HydrophobicContact CD1-CB 4.25Å; L218-L286 HydrophobicContact CD1-CD1 3.8Å
219T92.8Very high93.8Very high62 Ų6236.2 Ų36.238%0.3820%0.198SC..Hα-helixtrans-108.7-14.5-171.264.50000114.2A215 E216 R221 F275A215-T219 WeakPolarHBondContact O-CB 3.42Å; A215-T219 WeakPolarHBondContact O-CG2 3.43Å; A215-T219 PolarHBondContact O-N 3.11Å; A215-T219 VanDerWaalsContact O-N 3.13Å; A215-T219 PolarHBondContact O-OG1 3.13Å; E216-T219 PolarHBondContact O-N 2.94Å; T219-R221 PolarHBondContact O-N 3.05Å; T219-R221 PolarHBondContact OG1-N 3.35Å; T219-R221 PolarHBondContact OG1-O 3.06Å; T219-F275 HydrophobicContact CG2-CD1 3.82Å; T219-F275 HydrophobicContact CG2-CE1 4.2Å
220G90.9Very high93.3Very high48 Ų4839.4 Ų39.450%0.49522%0.215SC..SBendtrans65.518.4-169.700000113.5E216E216-G220 VanDerWaalsContact O-CA 3.23Å; E216-G220 WeakPolarHBondContact O-CA 3.34Å; E216-G220 PolarHBondContact O-N 2.92Å
221R91.3Very high92.9Very high196 Ų19641.2 Ų41.274%0.7422%0.224SC*.SBendtrans-137135-176.5-62.7-178.6-176.5-177.51.2110.6E216 T219 L223E216-R221 WeakPolarHBondContact CA-O 3.41Å; T219-R221 PolarHBondContact O-N 3.05Å; T219-R221 PolarHBondContact OG1-N 3.35Å; T219-R221 PolarHBondContact OG1-O 3.06Å; R221-L223 PolarHBondContact O-N 2.87Å
222T94.1Very high92.6Very high34 Ų3441.2 Ų41.221%0.20922%0.224CC..  trans-53.8127.4170.5-55.90000111W188 E216 P225W188-T222 HydrophobicContact CB-CG2 3.87Å; W188-T222 HydrophobicContact CD2-CG2 3.97Å; W188-T222 HydrophobicContact CE3-CG2 3.69Å; W188-T222 HydrophobicContact CG-CG2 4.08Å; W188-T222 HydrophobicContact CZ3-CG2 4.46Å; E216-T222 WeakPolarHBondContact OE2-CA 3.49Å; E216-T222 WeakPolarHBondContact OE2-CB 3.44Å; E216-T222 PolarHBondContact OE2-OG1 3.19Å; T222-P225 HydrophobicContact CG2-CB 4.32Å; T222-P225 WeakPolarHBondContact O-CD 3.29Å
223L96.6Very high92.2Very high32 Ų3241.3 Ų41.317%0.16823%0.225CC..SBendtrans-67.1-42.3-173.9-178.363.8000112.3A215 R221 L239 F275 L290A215-L223 HydrophobicContact CB-CB 4.12Å; A215-L223 HydrophobicContact CB-CD1 4.02Å; A215-L223 HydrophobicContact CB-CD2 3.74Å; A215-L223 HydrophobicContact CB-CG 4.17Å; R221-L223 PolarHBondContact O-N 2.87Å; L223-L239 HydrophobicContact CD1-CD2 4.05Å; L223-L239 HydrophobicContact CD2-CD2 4.26Å; L223-L239 HydrophobicContact CG-CD2 4.47Å; L223-F275 HydrophobicContact CD1-CE1 4.2Å; L223-F275 HydrophobicContact CD1-CZ 4.02Å; L223-L290 HydrophobicContact CD2-CD1 3.62Å; L223-L290 HydrophobicContact CD2-CD2 4.28Å
224F96.3Very high91.9Very high4 Ų444 Ų442%0.01824%0.237CC..  trans-131.177.6-177.5-52.7-58.2000111.8W188 W208 C212 G226 Q232 Q235 I236 L239 L290W188-F224 WeakPolarHBondContact CB-O 3.42Å; W208-F224 HydrophobicContact CH2-CE2 4.49Å; W208-F224 HydrophobicContact CZ2-CD2 4.42Å; W208-F224 AromaticContact CZ2-CE2 3.63Å; W208-F224 HydrophobicContact CZ2-CE2 3.63Å; W208-F224 HydrophobicContact CZ2-CZ 4.13Å; C212-F224 VanDerWaalsContact SG-CE2 3.56Å; F224-G226 VanDerWaalsContact C-N 3.26Å; F224-G226 PolarHBondContact O-N 3.2Å; F224-Q232 VanDerWaalsContact O-CD 3.29Å; F224-Q232 PolarHBondContact O-NE2 3.21Å; F224-Q232 PolarHBondContact O-OE1 3.25Å; F224-Q235 HydrophobicContact CD1-CB 4.29Å; F224-I236 HydrophobicContact CD1-CG1 4Å; F224-I236 HydrophobicContact CD2-CG1 3.98Å; F224-I236 HydrophobicContact CE1-CB 4.46Å; F224-I236 HydrophobicContact CE1-CG1 4.1Å; F224-I236 HydrophobicContact CE2-CG1 4.07Å; F224-I236 HydrophobicContact CG-CG1 3.94Å; F224-I236 HydrophobicContact CZ-CG1 4.12Å; F224-L239 HydrophobicContact CE1-CB 4.17Å; F224-L239 HydrophobicContact CE1-CD2 3.85Å; F224-L239 HydrophobicContact CZ-CD2 3.77Å; F224-L290 HydrophobicContact CE2-CD2 4.34Å
225P93.7Very high91.8Very high60 Ų6045.9 Ų45.939%0.3925%0.246SC..  trans-81.764.8178.533.8-37.7000111.7T222 Q235T222-P225 HydrophobicContact CG2-CB 4.32Å; T222-P225 WeakPolarHBondContact O-CD 3.29Å; P225-Q235 VanDerWaalsContact CD-OE1 3.25Å; P225-Q235 PolarHBondContact O-NE2 2.98Å
226G89.9Confident91.7Very high3 Ų345.9 Ų45.93%0.03125%0.246CC..  trans-71.4132.5-179.600000113.8R187 W188 F224 D228 N231 Q235R187-G226 PolarHBondContact NH1-O 2.85Å; W188-G226 PolarHBondContact NE1-O 3.32Å; F224-G226 VanDerWaalsContact C-N 3.26Å; F224-G226 PolarHBondContact O-N 3.2Å; G226-D228 VanDerWaalsContact C-N 3.34Å; G226-N231 WeakPolarHBondContact CA-OD1 3.46Å; G226-Q235 VanDerWaalsContact CA-NE2 3.34Å
227T87.5Confident91.7Very high104 Ų10445.2 Ų45.264%0.63824%0.243SC*.SBendtrans-69.2-34.4177.151.50000112.2R187 N231R187-T227 PolarHBondContact NH1-O 2.9Å; T227-N231 PolarHBondContact N-OD1 2.98Å; T227-N231 WeakPolarHBondContact OG1-CB 3.24Å; T227-N231 PolarHBondContact OG1-OD1 2.63Å
228D84.9Confident91.7Very high70 Ų7051.7 Ų51.737%0.37427%0.267SS..SBendtrans-148.1179.5179.458.666.4000110.3G226 I230 N231 Q232G226-D228 VanDerWaalsContact C-N 3.34Å; D228-I230 VanDerWaalsContact C-N 3.31Å; D228-I230 PolarHBondContact O-N 3.04Å; D228-I230 WeakPolarHBondContact OD1-CA 3.46Å; D228-I230 WeakPolarHBondContact OD1-CB 3.36Å; D228-I230 PolarHBondContact OD1-N 3.11Å; D228-N231 WeakPolarHBondContact OD1-CB 3.36Å; D228-N231 PolarHBondContact OD1-N 2.9Å; D228-Q232 WeakPolarHBondContact O-CB 3.49Å; D228-Q232 PolarHBondContact O-N 3.44Å
229H82.3Confident91.9Very high73 Ų7350 Ų5034%0.33826%0.258SS..Hα-helixtrans-62.3-36.8-177-68.6-81.5000113.3M195 L233M195-H229 HydrophobicContact CE-CB 4.31Å; H229-L233 PolarHBondContact O-N 2.8Å; H229-L233 VanDerWaalsContact O-N 3.15Å
230I85.9Confident92Very high72 Ų7247.9 Ų47.937%0.36925%0.245SC..Hα-helixtrans-73.7-47.6-178.3-64.9-57.5000110.1D228 Q232 L233 Q234 Y259D228-I230 VanDerWaalsContact C-N 3.31Å; D228-I230 PolarHBondContact O-N 3.04Å; D228-I230 WeakPolarHBondContact OD1-CA 3.46Å; D228-I230 WeakPolarHBondContact OD1-CB 3.36Å; D228-I230 PolarHBondContact OD1-N 3.11Å; I230-Q232 VanDerWaalsContact C-N 3.32Å; I230-Q232 PolarHBondContact O-N 3.45Å; I230-L233 PolarHBondContact O-N 3.19Å; I230-Q234 WeakPolarHBondContact O-CG 3.17Å; I230-Q234 PolarHBondContact O-N 3.37Å; I230-Y259 HydrophobicContact CD1-CE1 4.02Å; I230-Y259 HydrophobicContact CD1-CE2 4.23Å; I230-Y259 WeakPolarHBondContact CG2-OH 3.46Å
231N90Very high92.3Very high38 Ų3845.8 Ų45.820%0.20322%0.223CC..Hα-helixtrans-61.1-41.7177-177.3-100.8000111.6G226 T227 D228 Q234 Q235G226-N231 WeakPolarHBondContact CA-OD1 3.46Å; T227-N231 PolarHBondContact N-OD1 2.98Å; T227-N231 WeakPolarHBondContact OG1-CB 3.24Å; T227-N231 PolarHBondContact OG1-OD1 2.63Å; D228-N231 WeakPolarHBondContact OD1-CB 3.36Å; D228-N231 PolarHBondContact OD1-N 2.9Å; N231-Q234 PolarHBondContact O-N 3.41Å; N231-Q235 WeakPolarHBondContact O-CG 3.37Å; N231-Q235 PolarHBondContact O-N 2.87Å; N231-Q235 PolarHBondContact OD1-NE2 2.89Å
232Q91.3Very high92.4Very high0 Ų037.5 Ų37.50%019%0.194CC..Hα-helixtrans-57-50.6173.9-17385.112.900111.3W188 M195 F224 D228 I230 Q234 Q235 I236W188-Q232 PolarHBondContact O-NE2 3.39Å; M195-Q232 HydrophobicContact CE-CB 3.61Å; M195-Q232 HydrophobicContact CE-CG 3.56Å; M195-Q232 HydrophobicContact SD-CB 4.37Å; M195-Q232 HydrophobicContact SD-CG 3.65Å; F224-Q232 VanDerWaalsContact O-CD 3.29Å; F224-Q232 PolarHBondContact O-NE2 3.21Å; F224-Q232 PolarHBondContact O-OE1 3.25Å; D228-Q232 WeakPolarHBondContact O-CB 3.49Å; D228-Q232 PolarHBondContact O-N 3.44Å; I230-Q232 VanDerWaalsContact C-N 3.32Å; I230-Q232 PolarHBondContact O-N 3.45Å; Q232-Q234 VanDerWaalsContact C-N 3.31Å; Q232-Q234 PolarHBondContact O-N 3.45Å; Q232-Q235 WeakPolarHBondContact O-CB 3.37Å; Q232-Q235 PolarHBondContact O-N 3.05Å; Q232-Q235 VanDerWaalsContact O-N 3.12Å; Q232-I236 HydrophobicContact CG-CD1 4.09Å; Q232-I236 WeakPolarHBondContact O-CG1 3.46Å; Q232-I236 PolarHBondContact O-N 3.14Å
233L90.2Very high92.3Very high2 Ų236.2 Ų36.21%0.0119%0.186CC..Hα-helixtrans-61.3-41.6-178.7-17464.3000111.7P192 L196 W198 H229 I230 Q235 I236 M237 Y259P192-L233 HydrophobicContact CB-CD1 4.08Å; L196-L233 HydrophobicContact CD1-CD1 3.64Å; L196-L233 HydrophobicContact CD1-CD2 3.45Å; L196-L233 VanDerWaalsContact CD1-CD2 3.45Å; L196-L233 HydrophobicContact CD1-CG 4.05Å; L196-L233 HydrophobicContact CD2-CD2 4.39Å; W198-L233 HydrophobicContact CH2-CD1 3.99Å; W198-L233 HydrophobicContact CZ3-CD1 4.43Å; W198-L233 HydrophobicContact CZ3-CD2 4.37Å; H229-L233 PolarHBondContact O-N 2.8Å; H229-L233 VanDerWaalsContact O-N 3.15Å; I230-L233 PolarHBondContact O-N 3.19Å; L233-Q235 VanDerWaalsContact C-N 3.33Å; L233-Q235 PolarHBondContact O-N 2.96Å; L233-I236 WeakPolarHBondContact O-CB 3.4Å; L233-I236 PolarHBondContact O-N 2.98Å; L233-M237 HydrophobicContact CD2-CE 3.98Å; L233-M237 HydrophobicContact CG-CE 3.69Å; L233-M237 HydrophobicContact CG-SD 4.36Å; L233-M237 PolarHBondContact O-N 3.34Å; L233-Y259 HydrophobicContact CD2-CD1 4.22Å; L233-Y259 HydrophobicContact CD2-CE1 3.81Å
234Q91.6Very high92Very high57 Ų5737.8 Ų37.827%0.26620%0.199SC..Hα-helixtrans-61.4-40.7175.4-71.9179.8-6.600112.1I230 N231 Q232 M237 R238I230-Q234 WeakPolarHBondContact O-CG 3.17Å; I230-Q234 PolarHBondContact O-N 3.37Å; N231-Q234 PolarHBondContact O-N 3.41Å; Q232-Q234 VanDerWaalsContact C-N 3.31Å; Q232-Q234 PolarHBondContact O-N 3.45Å; Q234-M237 PolarHBondContact O-N 3.1Å; Q234-R238 WeakPolarHBondContact O-CB 3.45Å; Q234-R238 WeakPolarHBondContact O-CG 3.34Å; Q234-R238 PolarHBondContact O-N 3.38Å
235Q95.3Very high91.8Very high40 Ų4041.5 Ų41.519%0.18723%0.23CC..Hα-helixtrans-63.8-41.6175.4-70.7-171.256.700111.9F224 P225 G226 N231 Q232 L233 R238F224-Q235 HydrophobicContact CD1-CB 4.29Å; P225-Q235 VanDerWaalsContact CD-OE1 3.25Å; P225-Q235 PolarHBondContact O-NE2 2.98Å; G226-Q235 VanDerWaalsContact CA-NE2 3.34Å; N231-Q235 WeakPolarHBondContact O-CG 3.37Å; N231-Q235 PolarHBondContact O-N 2.87Å; N231-Q235 PolarHBondContact OD1-NE2 2.89Å; Q232-Q235 WeakPolarHBondContact O-CB 3.37Å; Q232-Q235 PolarHBondContact O-N 3.05Å; Q232-Q235 VanDerWaalsContact O-N 3.12Å; L233-Q235 VanDerWaalsContact C-N 3.33Å; L233-Q235 PolarHBondContact O-N 2.96Å; Q235-R238 PolarHBondContact O-N 3.31Å
236I96.1Very high91.6Very high0 Ų041.7 Ų41.70%023%0.233CC..Hα-helixtrans-57.9-55.5174.6-69171.1000110.4P192 W208 F224 Q232 L233 R238 L239 T240 L292P192-I236 HydrophobicContact CB-CD1 4.21Å; W208-I236 HydrophobicContact CH2-CG2 3.53Å; W208-I236 HydrophobicContact CZ2-CB 4.44Å; W208-I236 HydrophobicContact CZ2-CD1 3.9Å; W208-I236 HydrophobicContact CZ2-CG1 3.94Å; W208-I236 HydrophobicContact CZ2-CG2 3.7Å; F224-I236 HydrophobicContact CD1-CG1 4Å; F224-I236 HydrophobicContact CD2-CG1 3.98Å; F224-I236 HydrophobicContact CE1-CB 4.46Å; F224-I236 HydrophobicContact CE1-CG1 4.1Å; F224-I236 HydrophobicContact CE2-CG1 4.07Å; F224-I236 HydrophobicContact CG-CG1 3.94Å; F224-I236 HydrophobicContact CZ-CG1 4.12Å; Q232-I236 HydrophobicContact CG-CD1 4.09Å; Q232-I236 WeakPolarHBondContact O-CG1 3.46Å; Q232-I236 PolarHBondContact O-N 3.14Å; L233-I236 WeakPolarHBondContact O-CB 3.4Å; L233-I236 PolarHBondContact O-N 2.98Å; I236-R238 VanDerWaalsContact C-N 3.26Å; I236-R238 PolarHBondContact O-N 2.91Å; I236-L239 PolarHBondContact O-N 3.47Å; I236-T240 HydrophobicContact CG2-CG2 4.39Å; I236-T240 PolarHBondContact O-N 3.25Å; I236-T240 PolarHBondContact O-OG1 2.9Å; I236-T240 VanDerWaalsContact O-OG1 3.08Å; I236-L292 HydrophobicContact CG2-CD2 3.79Å
237M95.1Very high91.6Very high0 Ų041.7 Ų41.70%023%0.232CC..Hα-helixtrans-66.8-24-177.3-68.2-178.7-63.900113.7L233 Q234 L239 G241 T242 L263 M266L233-M237 HydrophobicContact CD2-CE 3.98Å; L233-M237 HydrophobicContact CG-CE 3.69Å; L233-M237 HydrophobicContact CG-SD 4.36Å; L233-M237 PolarHBondContact O-N 3.34Å; Q234-M237 PolarHBondContact O-N 3.1Å; M237-L239 PolarHBondContact O-N 3.25Å; M237-G241 CarbonylContact O-C 3.37Å; M237-G241 WeakPolarHBondContact O-CA 3.41Å; M237-G241 PolarHBondContact O-N 3.41Å; M237-T242 HydrophobicContact SD-CG2 4.26Å; M237-L263 HydrophobicContact CE-CD1 3.24Å; M237-L263 HydrophobicContact SD-CD1 4.17Å; M237-M266 HydrophobicContact CB-CE 3.61Å; M237-M266 HydrophobicContact CB-SD 4.41Å; M237-M266 HydrophobicContact CE-CE 4.09Å; M237-M266 HydrophobicContact SD-CE 4.38Å
238R95.9Very high91.7Very high145 Ų14537.6 Ų37.655%0.54721%0.206SC..Hα-helixtrans-64.8-25.5171-78.2170.9-172.2179.64.1112.8Q234 Q235 I236 M266 R269Q234-R238 WeakPolarHBondContact O-CB 3.45Å; Q234-R238 WeakPolarHBondContact O-CG 3.34Å; Q234-R238 PolarHBondContact O-N 3.38Å; Q235-R238 PolarHBondContact O-N 3.31Å; I236-R238 VanDerWaalsContact C-N 3.26Å; I236-R238 PolarHBondContact O-N 2.91Å; R238-M266 HydrophobicContact CG-SD 4Å; R238-R269 WeakPolarHBondContact O-CD 3.22Å; R238-R269 VanDerWaalsContact O-CG 3.31Å; R238-R269 WeakPolarHBondContact O-CG 3.43Å
239L97.3Very high91.8Very high11 Ų1138 Ų386%0.05822%0.215CC..Hα-helixtrans-92.8-53.8175.7-178.564.2000111L223 F224 I236 M237 R269 F271 V274 L290L223-L239 HydrophobicContact CD1-CD2 4.05Å; L223-L239 HydrophobicContact CD2-CD2 4.26Å; L223-L239 HydrophobicContact CG-CD2 4.47Å; F224-L239 HydrophobicContact CE1-CB 4.17Å; F224-L239 HydrophobicContact CE1-CD2 3.85Å; F224-L239 HydrophobicContact CZ-CD2 3.77Å; I236-L239 PolarHBondContact O-N 3.47Å; M237-L239 PolarHBondContact O-N 3.25Å; L239-R269 HydrophobicContact CD1-CB 4.44Å; L239-R269 PolarHBondContact O-N 3.05Å; L239-F271 HydrophobicContact CD1-CD1 4.08Å; L239-F271 HydrophobicContact CD1-CE1 3.74Å; L239-F271 HydrophobicContact CD1-CZ 4.29Å; L239-F271 HydrophobicContact CD2-CE1 4.31Å; L239-F271 HydrophobicContact CD2-CZ 4.05Å; L239-F271 HydrophobicContact CG-CE1 3.7Å; L239-F271 HydrophobicContact CG-CZ 3.9Å; L239-V274 HydrophobicContact CD1-CB 4.29Å; L239-V274 HydrophobicContact CD1-CG1 3.95Å; L239-V274 HydrophobicContact CD1-CG2 3.75Å; L239-L290 HydrophobicContact CD2-CD1 4.27Å
240T96.8Very high92Very high17 Ų1739 Ų3910%0.10422%0.216CC..Hα-helixtrans-84.5-11.6-171.261.30000114W208 I236 L290 L292W208-T240 HydrophobicContact CH2-CG2 4.05Å; I236-T240 HydrophobicContact CG2-CG2 4.39Å; I236-T240 PolarHBondContact O-N 3.25Å; I236-T240 PolarHBondContact O-OG1 2.9Å; I236-T240 VanDerWaalsContact O-OG1 3.08Å; T240-L290 WeakPolarHBondContact CG2-O 3.27Å; T240-L292 WeakPolarHBondContact OG1-CD1 3.25Å
241G95.9Very high91.9Very high3 Ų335.7 Ų35.73%0.03120%0.198CC..  trans82.3168.7-167.800000112.8M237 M266 L292M237-G241 CarbonylContact O-C 3.37Å; M237-G241 WeakPolarHBondContact O-CA 3.41Å; M237-G241 PolarHBondContact O-N 3.41Å; G241-M266 CarbonylContact C-O 3.58Å; G241-M266 WeakPolarHBondContact CA-O 2.99Å; G241-L292 WeakPolarHBondContact O-CD1 3.37Å
242T93.5Very high91.5Very high22 Ų2237.7 Ų37.714%0.13521%0.213CC..SBendtrans-69143.1171.939.40000111.1M237 H265 M266M237-T242 HydrophobicContact SD-CG2 4.26Å; T242-H265 PolarHBondContact OG1-CD2 3.02Å; T242-H265 VanDerWaalsContact OG1-CD2 3.26Å; T242-M266 HydrophobicContact CG2-CB 4.14Å; T242-M266 HydrophobicContact CG2-CE 3.72Å; T242-M266 HydrophobicContact CG2-CG 4.44Å; T242-M266 PolarHBondContact N-O 2.98Å; T242-M266 PolarHBondContact OG1-N 3.35Å; T242-M266 VanDerWaalsContact OG1-N 3.15Å; T242-M266 PolarHBondContact OG1-O 3.41Å
243P92.1Very high91.1Very high7 Ų739.1 Ų39.15%0.04522%0.223CC..PPolyproline II helixtrans-50.5135.7174.7-28.234.1000112.5W198 L247 I248 I260 L292W198-P243 HydrophobicContact CH2-CG 4.29Å; P243-L247 HydrophobicContact CB-CB 4.48Å; P243-L247 HydrophobicContact CB-CD2 4.09Å; P243-L247 HydrophobicContact CB-CG 4.47Å; P243-I248 HydrophobicContact CB-CD1 4.29Å; P243-I248 HydrophobicContact CB-CG1 3.79Å; P243-I248 WeakPolarHBondContact O-CD1 3.31Å; P243-I260 HydrophobicContact CB-CG2 4.45Å; P243-I260 HydrophobicContact CG-CD1 4.45Å; P243-I260 HydrophobicContact CG-CG2 4.03Å; P243-L292 HydrophobicContact CG-CD1 4.05Å
244P91.4Very high90.8Very high66 Ų6644 Ų4443%0.42925%0.246SC..PPolyproline II helixtrans-68156.5173.229.1-34.4000110.9S246 L247 I248P244-S246 PolarHBondContact O-N 3.42Å; P244-S246 VanDerWaalsContact O-N 3.09Å; P244-L247 HydrophobicContact CG-CB 3.93Å; P244-L247 WeakPolarHBondContact O-CB 3.42Å; P244-L247 PolarHBondContact O-N 3.29Å; P244-I248 PolarHBondContact O-N 3.24Å; P244-I248 VanDerWaalsContact O-N 3.09Å
245A90.3Very high90.4Very high81 Ų8147.8 Ų47.867%0.66926%0.264SS*.Hα-helixtrans-53.9-34.9-179.100000113.3L247 I248 S249A245-L247 VanDerWaalsContact C-N 3.3Å; A245-L247 PolarHBondContact O-N 3.41Å; A245-I248 PolarHBondContact O-N 3.34Å; A245-S249 PolarHBondContact O-N 2.84Å; A245-S249 PolarHBondContact O-OG 2.72Å
246S90.5Very high89.8Confident65 Ų6546.5 Ų46.546%0.45526%0.26SS..Hα-helixtrans-66.4-27.3176.458.80000114.2P244 S249 R250P244-S246 PolarHBondContact O-N 3.42Å; P244-S246 VanDerWaalsContact O-N 3.09Å; S246-S249 PolarHBondContact O-OG 2.84Å; S246-S249 VanDerWaalsContact O-OG 3.09Å; S246-R250 PolarHBondContact O-NE 3.47Å
247L89.3Confident89.5Confident2 Ų250 Ų501%0.0127%0.273CS..Hα-helixtrans-81.7-44.7174.1-177.459000109.7M199 P243 P244 A245 S249 R250 L292 D293M199-L247 HydrophobicContact CE-CD1 4.32Å; M199-L247 HydrophobicContact SD-CD1 3.66Å; P243-L247 HydrophobicContact CB-CB 4.48Å; P243-L247 HydrophobicContact CB-CD2 4.09Å; P243-L247 HydrophobicContact CB-CG 4.47Å; P244-L247 HydrophobicContact CG-CB 3.93Å; P244-L247 WeakPolarHBondContact O-CB 3.42Å; P244-L247 PolarHBondContact O-N 3.29Å; A245-L247 VanDerWaalsContact C-N 3.3Å; A245-L247 PolarHBondContact O-N 3.41Å; L247-S249 VanDerWaalsContact C-N 3.27Å; L247-S249 PolarHBondContact O-N 3.05Å; L247-R250 PolarHBondContact O-N 3.2Å; L247-R250 VanDerWaalsContact O-N 3.09Å; L247-L292 HydrophobicContact CD2-CB 3.87Å; L247-D293 HydrophobicContact CD1-CB 4.29Å; L247-D293 HydrophobicContact CD2-CB 4.24Å
248I89.3Confident89.2Confident18 Ų1853.9 Ų53.99%0.09229%0.294CS..Hα-helixtrans-57.2-41.2177.5-61173.7000111P243 P244 A245 R250 M251 R257 I260P243-I248 HydrophobicContact CB-CD1 4.29Å; P243-I248 HydrophobicContact CB-CG1 3.79Å; P243-I248 WeakPolarHBondContact O-CD1 3.31Å; P244-I248 PolarHBondContact O-N 3.24Å; P244-I248 VanDerWaalsContact O-N 3.09Å; A245-I248 PolarHBondContact O-N 3.34Å; I248-R250 PolarHBondContact O-N 3.38Å; I248-M251 WeakPolarHBondContact O-CB 3.37Å; I248-M251 PolarHBondContact O-N 3.17Å; I248-R257 HydrophobicContact CG2-CB 4.17Å; I248-R257 HydrophobicContact CG2-CG 3.89Å; I248-R257 WeakPolarHBondContact O-CD 3.25Å; I248-R257 WeakPolarHBondContact O-CG 3.39Å; I248-I260 HydrophobicContact CD1-CG2 3.76Å; I248-I260 HydrophobicContact CG1-CG2 4.18Å
249S87.9Confident88.8Confident80 Ų8049.9 Ų49.956%0.55928%0.279SS*.THydrogen-bonded Turntrans-64.2-24.3-179.659.80000114.1A245 S246 L247A245-S249 PolarHBondContact O-N 2.84Å; A245-S249 PolarHBondContact O-OG 2.72Å; S246-S249 PolarHBondContact O-OG 2.84Å; S246-S249 VanDerWaalsContact O-OG 3.09Å; L247-S249 VanDerWaalsContact C-N 3.27Å; L247-S249 PolarHBondContact O-N 3.05Å
250R86.3Confident88.4Confident94 Ų9449.6 Ų49.636%0.35528%0.278SS..THydrogen-bonded Turntrans-88.3-5.7179.6-65.7-173.2-63.3137.8-8113.6M199 S246 L247 I248 D293 D295M199-R250 HydrophobicContact CE-CB 3.88Å; S246-R250 PolarHBondContact O-NE 3.47Å; L247-R250 PolarHBondContact O-N 3.2Å; L247-R250 VanDerWaalsContact O-N 3.09Å; I248-R250 PolarHBondContact O-N 3.38Å; R250-D293 IonicContact CZ-OD1 3.8Å; R250-D293 IonicContact NH2-OD1 2.68Å; R250-D293 PolarHBondContact NH2-OD1 3.45Å; R250-D293 IonicContact NH2-OD2 3.2Å; R250-D293 PolarHBondContact NH2-OD2 3.12Å; R250-D295 IonicContact CZ-OD2 2.79Å; R250-D295 IonicContact NH1-OD2 3.07Å; R250-D295 PolarHBondContact NH1-OD2 2.68Å; R250-D295 IonicContact NH2-OD2 3.31Å
251M84.9Confident88.1Confident2 Ų253.7 Ų53.71%0.0130%0.299CS..  trans-73127.2177.7-65-178.9166.100110.9W198 M199 I248 R257 I260W198-M251 HydrophobicContact CB-SD 4.43Å; W198-M251 HydrophobicContact CD2-CE 3.22Å; W198-M251 HydrophobicContact CD2-SD 3.86Å; W198-M251 HydrophobicContact CE3-CE 3.24Å; W198-M251 HydrophobicContact CE3-SD 3.63Å; W198-M251 HydrophobicContact CG-CE 3.91Å; W198-M251 HydrophobicContact CG-CG 4.46Å; W198-M251 HydrophobicContact CG-SD 4.22Å; W198-M251 HydrophobicContact CH2-CE 3.65Å; W198-M251 HydrophobicContact CZ2-CE 3.6Å; W198-M251 HydrophobicContact CZ3-CE 3.48Å; W198-M251 VanDerWaalsContact CZ3-CE 3.48Å; W198-M251 HydrophobicContact CZ3-SD 4.21Å; W198-M251 VanDerWaalsContact O-CA 3.24Å; W198-M251 WeakPolarHBondContact O-CA 3.2Å; W198-M251 WeakPolarHBondContact O-CB 3.44Å; M199-M251 HydrophobicContact CG-CG 4.17Å; I248-M251 WeakPolarHBondContact O-CB 3.37Å; I248-M251 PolarHBondContact O-N 3.17Å; M251-R257 HydrophobicContact CB-CG 3.72Å; M251-R257 WeakPolarHBondContact O-CD 3.42Å; M251-R257 VanDerWaalsContact O-CZ 3.25Å; M251-R257 PolarHBondContact O-NE 3.13Å; M251-R257 VanDerWaalsContact O-NE 3.14Å; M251-R257 HydrophobicContact SD-CG 4.3Å; M251-I260 HydrophobicContact CE-CD1 3.58Å; M251-I260 HydrophobicContact SD-CD1 3.32Å; M251-I260 WeakPolarHBondContact SD-CD1 3.49Å
252P80.3Confident87.9Confident79 Ų7957.8 Ų57.851%0.51333%0.327SS..SBendtrans-67.5-43.5177.1-13.128000111.2W198 H254 R257W198-P252 WeakPolarHBondContact O-CD 3.48Å; P252-H254 PolarHBondContact O-N 3.35Å; P252-R257 PolarHBondContact O-NH2 2.8Å
253S82.4Confident87.7Confident30 Ų3058.2 Ų58.221%0.2133%0.328CS..  trans-67122.7-176.1171.30000111.5E255 A256 R257S253-E255 PolarHBondContact OG-N 2.8Å; S253-E255 PolarHBondContact OG-OE2 3.27Å; S253-E255 VanDerWaalsContact OG-OE2 3.14Å; S253-A256 WeakPolarHBondContact OG-CB 3.18Å; S253-A256 PolarHBondContact OG-N 3.05Å; S253-A256 VanDerWaalsContact OG-N 3.08Å; S253-R257 WeakPolarHBondContact O-CG 3.44Å; S253-R257 PolarHBondContact O-N 3.1Å; S253-R257 PolarHBondContact O-NE 3.26Å; S253-R257 VanDerWaalsContact O-NE 3.14Å
254H84.8Confident87.7Confident105 Ų10562.6 Ų62.649%0.48636%0.356SS..Hα-helixtrans-73.3-36.4176.4-174.3-104.8000111.3P252 R257 N258P252-H254 PolarHBondContact O-N 3.35Å; H254-R257 PolarHBondContact O-N 2.93Å; H254-N258 PolarHBondContact CE1-ND2 3.47Å; H254-N258 PolarHBondContact ND1-ND2 3.23Å; H254-N258 VanDerWaalsContact O-CG 3.3Å; H254-N258 PolarHBondContact O-N 3.43Å; H254-N258 PolarHBondContact O-ND2 3.33Å
255E84Confident87.8Confident137 Ų13766.5 Ų66.564%0.6437%0.369SS*.Hα-helixtrans-62.8-46.3177.2-60.668-146.600110.7S253 N258 Y259S253-E255 PolarHBondContact OG-N 2.8Å; S253-E255 PolarHBondContact OG-OE2 3.27Å; S253-E255 VanDerWaalsContact OG-OE2 3.14Å; E255-N258 PolarHBondContact O-N 3.31Å; E255-Y259 WeakPolarHBondContact O-CB 3.22Å; E255-Y259 PolarHBondContact O-N 2.6Å
256A82.9Confident88.1Confident13 Ų1364.5 Ų64.511%0.10735%0.346CS..Hα-helixtrans-60.9-46.1176.900000111.5W198 S253 N258 Y259 I260W198-A256 HydrophobicContact CB-CB 3.89Å; W198-A256 HydrophobicContact CE3-CB 4.26Å; S253-A256 WeakPolarHBondContact OG-CB 3.18Å; S253-A256 PolarHBondContact OG-N 3.05Å; S253-A256 VanDerWaalsContact OG-N 3.08Å; A256-N258 PolarHBondContact O-N 3.06Å; A256-Y259 PolarHBondContact O-N 3.17Å; A256-I260 WeakPolarHBondContact O-CD1 3.37Å; A256-I260 VanDerWaalsContact O-CG1 3.26Å; A256-I260 WeakPolarHBondContact O-CG1 3.47Å; A256-I260 PolarHBondContact O-N 3.33Å
257R88.6Confident88.3Confident73 Ų7365.9 Ų65.928%0.27535%0.354SS..Hα-helixtrans-58.4-47.3176.2-73.7-179.1-76.6-178-6.9112I248 M251 P252 S253 H254 Y259 I260 N261I248-R257 HydrophobicContact CG2-CB 4.17Å; I248-R257 HydrophobicContact CG2-CG 3.89Å; I248-R257 WeakPolarHBondContact O-CD 3.25Å; I248-R257 WeakPolarHBondContact O-CG 3.39Å; M251-R257 HydrophobicContact CB-CG 3.72Å; M251-R257 WeakPolarHBondContact O-CD 3.42Å; M251-R257 VanDerWaalsContact O-CZ 3.25Å; M251-R257 PolarHBondContact O-NE 3.13Å; M251-R257 VanDerWaalsContact O-NE 3.14Å; M251-R257 HydrophobicContact SD-CG 4.3Å; P252-R257 PolarHBondContact O-NH2 2.8Å; S253-R257 WeakPolarHBondContact O-CG 3.44Å; S253-R257 PolarHBondContact O-N 3.1Å; S253-R257 PolarHBondContact O-NE 3.26Å; S253-R257 VanDerWaalsContact O-NE 3.14Å; H254-R257 PolarHBondContact O-N 2.93Å; R257-Y259 VanDerWaalsContact C-N 3.34Å; R257-Y259 PolarHBondContact O-N 3.04Å; R257-I260 PolarHBondContact O-N 3.36Å; R257-N261 WeakPolarHBondContact O-CB 3.26Å; R257-N261 VanDerWaalsContact O-CG 3.25Å; R257-N261 PolarHBondContact O-N 3.26Å; R257-N261 PolarHBondContact O-ND2 3.07Å; R257-N261 VanDerWaalsContact O-ND2 3.13Å
258N89.1Confident88.7Confident82 Ų8270.7 Ų70.744%0.43938%0.375SS..Hα-helixtrans-63.7-41.1178.7-72.3-19.7000112H254 E255 A256 N261 S262H254-N258 PolarHBondContact CE1-ND2 3.47Å; H254-N258 PolarHBondContact ND1-ND2 3.23Å; H254-N258 VanDerWaalsContact O-CG 3.3Å; H254-N258 PolarHBondContact O-N 3.43Å; H254-N258 PolarHBondContact O-ND2 3.33Å; E255-N258 PolarHBondContact O-N 3.31Å; A256-N258 PolarHBondContact O-N 3.06Å; N258-N261 PolarHBondContact O-N 2.99Å; N258-S262 WeakPolarHBondContact O-CB 3.46Å; N258-S262 PolarHBondContact O-N 3.41Å
259Y87.2Confident89.1Confident60 Ų6076 Ų7624%0.23539%0.393CS..Hα-helixtrans-60.5-51.2176.7178.3-107.4000111.3I230 L233 E255 A256 R257 N261 S262 L263I230-Y259 HydrophobicContact CD1-CE1 4.02Å; I230-Y259 HydrophobicContact CD1-CE2 4.23Å; I230-Y259 WeakPolarHBondContact CG2-OH 3.46Å; L233-Y259 HydrophobicContact CD2-CD1 4.22Å; L233-Y259 HydrophobicContact CD2-CE1 3.81Å; E255-Y259 WeakPolarHBondContact O-CB 3.22Å; E255-Y259 PolarHBondContact O-N 2.6Å; A256-Y259 PolarHBondContact O-N 3.17Å; R257-Y259 VanDerWaalsContact C-N 3.34Å; R257-Y259 PolarHBondContact O-N 3.04Å; Y259-N261 PolarHBondContact O-N 3.33Å; Y259-S262 WeakPolarHBondContact O-CB 3.24Å; Y259-S262 PolarHBondContact O-N 3.22Å; Y259-S262 VanDerWaalsContact O-N 3.14Å; Y259-S262 PolarHBondContact O-OG 2.64Å; Y259-L263 HydrophobicContact CD1-CD1 4.46Å; Y259-L263 HydrophobicContact CE1-CD1 3.88Å; Y259-L263 HydrophobicContact CE2-CD2 4.4Å; Y259-L263 PolarHBondContact O-N 2.98Å
260I88.2Confident89.6Confident6 Ų676.2 Ų76.23%0.03139%0.388CS..Hα-helixtrans-60.6-45.5178.7-60.6159.8000111.3W198 P243 I248 M251 A256 R257 S262 L263W198-I260 HydrophobicContact CE3-CD1 3.5Å; W198-I260 HydrophobicContact CE3-CG1 4.34Å; W198-I260 HydrophobicContact CH2-CD1 4.05Å; W198-I260 HydrophobicContact CZ3-CD1 3.12Å; W198-I260 HydrophobicContact CZ3-CG1 3.7Å; P243-I260 HydrophobicContact CB-CG2 4.45Å; P243-I260 HydrophobicContact CG-CD1 4.45Å; P243-I260 HydrophobicContact CG-CG2 4.03Å; I248-I260 HydrophobicContact CD1-CG2 3.76Å; I248-I260 HydrophobicContact CG1-CG2 4.18Å; M251-I260 HydrophobicContact CE-CD1 3.58Å; M251-I260 HydrophobicContact SD-CD1 3.32Å; M251-I260 WeakPolarHBondContact SD-CD1 3.49Å; A256-I260 WeakPolarHBondContact O-CD1 3.37Å; A256-I260 VanDerWaalsContact O-CG1 3.26Å; A256-I260 WeakPolarHBondContact O-CG1 3.47Å; A256-I260 PolarHBondContact O-N 3.33Å; R257-I260 PolarHBondContact O-N 3.36Å; I260-S262 PolarHBondContact O-N 3.46Å; I260-L263 WeakPolarHBondContact O-CB 2.97Å; I260-L263 PolarHBondContact O-N 3.23Å
261N90.6Very high90.1Very high103 Ų10371.7 Ų71.755%0.55137%0.371SS*.Hα-helixtrans-63.6-23.3179.4-75.3-30.9000113R257 N258 Y259 L263R257-N261 WeakPolarHBondContact O-CB 3.26Å; R257-N261 VanDerWaalsContact O-CG 3.25Å; R257-N261 PolarHBondContact O-N 3.26Å; R257-N261 PolarHBondContact O-ND2 3.07Å; R257-N261 VanDerWaalsContact O-ND2 3.13Å; N258-N261 PolarHBondContact O-N 2.99Å; Y259-N261 PolarHBondContact O-N 3.33Å; N261-L263 VanDerWaalsContact C-N 3.32Å
262S91.6Very high90.7Very high88 Ų8873.9 Ų73.962%0.61539%0.39SS*.Hα-helixtrans-78.1-16.2174.978.70000113.6N258 Y259 I260N258-S262 WeakPolarHBondContact O-CB 3.46Å; N258-S262 PolarHBondContact O-N 3.41Å; Y259-S262 WeakPolarHBondContact O-CB 3.24Å; Y259-S262 PolarHBondContact O-N 3.22Å; Y259-S262 VanDerWaalsContact O-N 3.14Å; Y259-S262 PolarHBondContact O-OG 2.64Å; I260-S262 PolarHBondContact O-N 3.46Å
263L89.7Confident91.5Very high32 Ų3274.7 Ų74.717%0.16839%0.389CS..SBendtrans-81.2147.5-179-62.6176.8000111.3M237 Y259 I260 N261M237-L263 HydrophobicContact CE-CD1 3.24Å; M237-L263 HydrophobicContact SD-CD1 4.17Å; Y259-L263 HydrophobicContact CD1-CD1 4.46Å; Y259-L263 HydrophobicContact CE1-CD1 3.88Å; Y259-L263 HydrophobicContact CE2-CD2 4.4Å; Y259-L263 PolarHBondContact O-N 2.98Å; I260-L263 WeakPolarHBondContact O-CB 2.97Å; I260-L263 PolarHBondContact O-N 3.23Å; N261-L263 VanDerWaalsContact C-N 3.32Å
264P92.6Very high92.2Very high98 Ų9875.1 Ų75.164%0.63639%0.391SS*.PPolyproline II helixtrans-63.5140.8171.828-34.3000110.4M266P264-M266 PolarHBondContact O-N 3.29Å
265H94Very high92.7Very high149 Ų14970.5 Ų70.569%0.6937%0.369SS*.PPolyproline II helixtrans-59.2131.2174.9175.8-85.4000110.9T242T242-H265 PolarHBondContact OG1-CD2 3.02Å; T242-H265 VanDerWaalsContact OG1-CD2 3.26Å
266M95.4Very high93.2Very high38 Ų3870.6 Ų70.619%0.18737%0.374CS..  trans-120.4123.5177.2-68174.2-8600109.1M237 R238 G241 T242 P264M237-M266 HydrophobicContact CB-CE 3.61Å; M237-M266 HydrophobicContact CB-SD 4.41Å; M237-M266 HydrophobicContact CE-CE 4.09Å; M237-M266 HydrophobicContact SD-CE 4.38Å; R238-M266 HydrophobicContact CG-SD 4Å; G241-M266 CarbonylContact C-O 3.58Å; G241-M266 WeakPolarHBondContact CA-O 2.99Å; T242-M266 HydrophobicContact CG2-CB 4.14Å; T242-M266 HydrophobicContact CG2-CE 3.72Å; T242-M266 HydrophobicContact CG2-CG 4.44Å; T242-M266 PolarHBondContact N-O 2.98Å; T242-M266 PolarHBondContact OG1-N 3.35Å; T242-M266 VanDerWaalsContact OG1-N 3.15Å; T242-M266 PolarHBondContact OG1-O 3.41Å; P264-M266 PolarHBondContact O-N 3.29Å
267P96.1Very high93.8Very high95 Ų9574.2 Ų74.262%0.61741%0.412SS*.PPolyproline II helixtrans-70.5148.5173.330.2-33.7000110.8R269P267-R269 PolarHBondContact O-N 3.48Å
268K97.2Very high94.1Very high103 Ų10372 Ų7245%0.44841%0.41SS..PPolyproline II helixtrans-57.1133.3169.5-170.4-163.9-178.1-165.30108.8E287K268-E287 IonicContact NZ-OE1 2.7Å; K268-E287 PolarHBondContact NZ-OE1 3.08Å
269R97.4Very high94.6Very high129 Ų12970.3 Ų70.349%0.48740%0.4SS..PPolyproline II helixtrans-76.2150172.2-68.6-173.367.4-170.3-3110.2R238 L239 P267 F271 V274R238-R269 WeakPolarHBondContact O-CD 3.22Å; R238-R269 VanDerWaalsContact O-CG 3.31Å; R238-R269 WeakPolarHBondContact O-CG 3.43Å; L239-R269 HydrophobicContact CD1-CB 4.44Å; L239-R269 PolarHBondContact O-N 3.05Å; P267-R269 PolarHBondContact O-N 3.48Å; R269-F271 WeakPolarHBondContact O-CD1 3.31Å; R269-F271 PolarHBondContact O-N 3Å; R269-V274 HydrophobicContact CB-CG2 4.14Å
270N97.6Very high95.1Very high84 Ų8472.4 Ų72.445%0.44942%0.421SS..PPolyproline II helixtrans-69.2119.3167.5177.63.5000109.3A272 D273 V274N270-A272 VanDerWaalsContact C-N 3.29Å; N270-A272 PolarHBondContact O-N 3.24Å; N270-A272 WeakPolarHBondContact OD1-CB 3.32Å; N270-A272 PolarHBondContact OD1-N 2.86Å; N270-A272 VanDerWaalsContact OD1-N 3.12Å; N270-D273 HydrophobicContact CB-CB 4.44Å; N270-D273 WeakPolarHBondContact CB-OD2 3.36Å; N270-D273 PolarHBondContact ND2-OD2 3Å; N270-D273 PolarHBondContact O-N 3.41Å; N270-V274 PolarHBondContact O-N 3.1Å
271F98.1Very high95.6Very high0 Ų074.5 Ų74.50%043%0.432CS..Hα-helixtrans-68.7-28.2-175.6-83.331.6000112.3L239 R269 D273 V274 F275 V283 L286 E287 L290L239-F271 HydrophobicContact CD1-CD1 4.08Å; L239-F271 HydrophobicContact CD1-CE1 3.74Å; L239-F271 HydrophobicContact CD1-CZ 4.29Å; L239-F271 HydrophobicContact CD2-CE1 4.31Å; L239-F271 HydrophobicContact CD2-CZ 4.05Å; L239-F271 HydrophobicContact CG-CE1 3.7Å; L239-F271 HydrophobicContact CG-CZ 3.9Å; R269-F271 WeakPolarHBondContact O-CD1 3.31Å; R269-F271 PolarHBondContact O-N 3Å; F271-D273 PolarHBondContact O-N 3.4Å; F271-V274 PolarHBondContact O-N 3.34Å; F271-F275 HydrophobicContact CB-CD2 4.02Å; F271-F275 HydrophobicContact CB-CE2 4.2Å; F271-F275 HydrophobicContact CD2-CD2 4.23Å; F271-F275 AromaticContact CD2-CE2 3.66Å; F271-F275 HydrophobicContact CD2-CE2 3.66Å; F271-F275 HydrophobicContact CE2-CE2 4.23Å; F271-F275 HydrophobicContact CG-CD2 4.32Å; F271-F275 AromaticContact CG-CE2 3.99Å; F271-F275 HydrophobicContact CG-CE2 3.99Å; F271-F275 VanDerWaalsContact O-CD2 3.28Å; F271-F275 WeakPolarHBondContact O-CD2 3.43Å; F271-F275 PolarHBondContact O-N 2.81Å; F271-V283 HydrophobicContact CB-CG1 3.66Å; F271-L286 HydrophobicContact CD2-CB 4.02Å; F271-L286 HydrophobicContact CE2-CB 4.22Å; F271-E287 HydrophobicContact CB-CG 3.7Å; F271-E287 HydrophobicContact CD1-CG 4.21Å; F271-E287 HydrophobicContact CD2-CB 4.26Å; F271-E287 HydrophobicContact CD2-CG 3.35Å; F271-E287 HydrophobicContact CE2-CG 3.97Å; F271-E287 HydrophobicContact CG-CG 3.5Å; F271-E287 VanDerWaalsContact CG-CG 3.5Å; F271-L290 HydrophobicContact CE2-CB 4.05Å; F271-L290 HydrophobicContact CE2-CD1 3.89Å; F271-L290 HydrophobicContact CZ-CB 4.08Å; F271-L290 HydrophobicContact CZ-CD1 4.29Å
272A97.3Very high96Very high48 Ų4869.6 Ų69.640%0.39741%0.406SS..Hα-helixtrans-61.9-33.1174.900000112.4N270 V274 V283N270-A272 VanDerWaalsContact C-N 3.29Å; N270-A272 PolarHBondContact O-N 3.24Å; N270-A272 WeakPolarHBondContact OD1-CB 3.32Å; N270-A272 PolarHBondContact OD1-N 2.86Å; N270-A272 VanDerWaalsContact OD1-N 3.12Å; A272-V274 VanDerWaalsContact C-N 3.33Å; A272-V283 HydrophobicContact CB-CG1 4.47Å
273D96.5Very high96.3Very high95 Ų9566 Ų6651%0.50838%0.38SS..Hα-helixtrans-78.8-19.4176.5-60.7-32000112.5N270 F271N270-D273 HydrophobicContact CB-CB 4.44Å; N270-D273 WeakPolarHBondContact CB-OD2 3.36Å; N270-D273 PolarHBondContact ND2-OD2 3Å; N270-D273 PolarHBondContact O-N 3.41Å; F271-D273 PolarHBondContact O-N 3.4Å
274V96.6Very high96.8Very high40 Ų4067.1 Ų67.124%0.24239%0.387CS..Hα-helixtrans-86.6-45.4177.8176.70000110.2L239 R269 N270 F271 A272 L276L239-V274 HydrophobicContact CD1-CB 4.29Å; L239-V274 HydrophobicContact CD1-CG1 3.95Å; L239-V274 HydrophobicContact CD1-CG2 3.75Å; R269-V274 HydrophobicContact CB-CG2 4.14Å; N270-V274 PolarHBondContact O-N 3.1Å; F271-V274 PolarHBondContact O-N 3.34Å; A272-V274 VanDerWaalsContact C-N 3.33Å; V274-L276 PolarHBondContact O-N 3.32Å
275F96.4Very high97.1Very high8 Ų862.5 Ų62.54%0.03536%0.356CS..SBendtrans-101.956.7-178.5-55.1-69.8000110.6A215 T219 L223 F271 G277 A278 V283 L286A215-F275 HydrophobicContact CB-CE1 3.75Å; A215-F275 HydrophobicContact CB-CZ 4Å; T219-F275 HydrophobicContact CG2-CD1 3.82Å; T219-F275 HydrophobicContact CG2-CE1 4.2Å; L223-F275 HydrophobicContact CD1-CE1 4.2Å; L223-F275 HydrophobicContact CD1-CZ 4.02Å; F271-F275 HydrophobicContact CB-CD2 4.02Å; F271-F275 HydrophobicContact CB-CE2 4.2Å; F271-F275 HydrophobicContact CD2-CD2 4.23Å; F271-F275 AromaticContact CD2-CE2 3.66Å; F271-F275 HydrophobicContact CD2-CE2 3.66Å; F271-F275 HydrophobicContact CE2-CE2 4.23Å; F271-F275 HydrophobicContact CG-CD2 4.32Å; F271-F275 AromaticContact CG-CE2 3.99Å; F271-F275 HydrophobicContact CG-CE2 3.99Å; F271-F275 VanDerWaalsContact O-CD2 3.28Å; F271-F275 WeakPolarHBondContact O-CD2 3.43Å; F271-F275 PolarHBondContact O-N 2.81Å; F275-G277 PolarHBondContact O-N 3.27Å; F275-A278 HydrophobicContact CB-CB 4.04Å; F275-A278 VanDerWaalsContact O-CB 3.31Å; F275-A278 WeakPolarHBondContact O-CB 3.41Å; F275-A278 PolarHBondContact O-N 3.25Å; F275-A278 VanDerWaalsContact O-N 3.1Å; F275-V283 HydrophobicContact CB-CG2 4.16Å; F275-L286 HydrophobicContact CD1-CD1 4.24Å; F275-L286 HydrophobicContact CD2-CD1 3.85Å; F275-L286 HydrophobicContact CE1-CD1 4.12Å; F275-L286 HydrophobicContact CE2-CD1 3.73Å; F275-L286 HydrophobicContact CG-CD1 4.12Å; F275-L286 HydrophobicContact CZ-CD1 3.87Å
276L95.2Very high97.3Very high139 Ų13955.4 Ų55.473%0.72832%0.323SS*.THydrogen-bonded Turntrans-56.8124.5-176.5-72.8168.6000111.8V274 A278V274-L276 PolarHBondContact O-N 3.32Å; L276-A278 VanDerWaalsContact C-N 3.3Å
277G93.6Very high97.4Very high88 Ų8856.4 Ų56.491%0.90733%0.328SS*.THydrogen-bonded Turntrans82.30.3178.200000115F275F275-G277 PolarHBondContact O-N 3.27Å
278A96.9Very high97.6Very high28 Ų2855.3 Ų55.323%0.23131%0.313CS..SBendtrans-71.5156.5170.300000111.3F275 L276 V283F275-A278 HydrophobicContact CB-CB 4.04Å; F275-A278 VanDerWaalsContact O-CB 3.31Å; F275-A278 WeakPolarHBondContact O-CB 3.41Å; F275-A278 PolarHBondContact O-N 3.25Å; F275-A278 VanDerWaalsContact O-N 3.1Å; L276-A278 VanDerWaalsContact C-N 3.3Å; A278-V283 HydrophobicContact CB-CG2 4Å
279N98.1Very high97.6Very high46 Ų4650.4 Ų50.425%0.24629%0.292CS..  trans-56.1129173.4-177.3-25.3000110.3D125 L281 A282 V283 Y308D125-N279 WeakPolarHBondContact OD1-CB 3.21Å; D125-N279 WeakPolarHBondContact OD2-CB 3.36Å; D125-N279 PolarHBondContact OD2-ND2 2.97Å; N279-L281 PolarHBondContact O-N 2.93Å; N279-L281 VanDerWaalsContact O-N 3.13Å; N279-L281 WeakPolarHBondContact OD1-CB 3.48Å; N279-L281 PolarHBondContact OD1-N 2.99Å; N279-A282 HydrophobicContact CB-CB 4.02Å; N279-A282 WeakPolarHBondContact O-CA 3.21Å; N279-A282 VanDerWaalsContact O-CB 3.29Å; N279-A282 WeakPolarHBondContact O-CB 3.34Å; N279-A282 PolarHBondContact O-N 2.89Å; N279-V283 PolarHBondContact O-N 3.3Å; N279-Y308 HydrophobicContact CB-CE2 4.35Å
280P98.6Very high97.7Very high104 Ų10444.4 Ų44.468%0.67527%0.27SS*.Hα-helixtrans-54.5-32.3178.4-27.935.6000114V283 D284P280-V283 PolarHBondContact O-N 3.36Å; P280-D284 PolarHBondContact O-N 3.04Å
281L98.7Very high97.6Very high49 Ų4942 Ų4226%0.25726%0.258SS..Hα-helixtrans-70.9-33.5175.8-63.2177.9000112.3N279 L285 H306 Q307 Y308N279-L281 PolarHBondContact O-N 2.93Å; N279-L281 VanDerWaalsContact O-N 3.13Å; N279-L281 WeakPolarHBondContact OD1-CB 3.48Å; N279-L281 PolarHBondContact OD1-N 2.99Å; L281-L285 WeakPolarHBondContact O-CB 3.45Å; L281-L285 PolarHBondContact O-N 2.82Å; L281-H306 PolarHBondContact O-CE1 3.38Å; L281-Q307 HydrophobicContact CD1-CB 4.34Å; L281-Q307 HydrophobicContact CD1-CG 3.92Å; L281-Q307 HydrophobicContact CD2-CB 4.17Å; L281-Q307 HydrophobicContact CD2-CG 4.27Å; L281-Y308 HydrophobicContact CB-CD2 3.86Å; L281-Y308 HydrophobicContact CB-CG 4.38Å
282A98.5Very high97.3Very high0 Ų042.8 Ų42.80%026%0.262CS..Hα-helixtrans-67.1-41.117300000110.9M214 L218 N279 L285 L286 Y308M214-A282 HydrophobicContact CE-CB 3.59Å; L218-A282 HydrophobicContact CD1-CB 4.25Å; N279-A282 HydrophobicContact CB-CB 4.02Å; N279-A282 WeakPolarHBondContact O-CA 3.21Å; N279-A282 VanDerWaalsContact O-CB 3.29Å; N279-A282 WeakPolarHBondContact O-CB 3.34Å; N279-A282 PolarHBondContact O-N 2.89Å; A282-L285 PolarHBondContact O-N 2.66Å; A282-L286 WeakPolarHBondContact O-CG 3.41Å; A282-L286 PolarHBondContact O-N 2.9Å; A282-Y308 HydrophobicContact CB-CD2 4.05Å; A282-Y308 HydrophobicContact CB-CE1 4.45Å; A282-Y308 HydrophobicContact CB-CE2 3.59Å
283V98.7Very high97.1Very high12 Ų1241 Ų417%0.07325%0.246CC..Hα-helixtrans-63.2-47176.8177.20000111.1F271 A272 F275 A278 N279 P280 L285 L286 E287F271-V283 HydrophobicContact CB-CG1 3.66Å; A272-V283 HydrophobicContact CB-CG1 4.47Å; F275-V283 HydrophobicContact CB-CG2 4.16Å; A278-V283 HydrophobicContact CB-CG2 4Å; N279-V283 PolarHBondContact O-N 3.3Å; P280-V283 PolarHBondContact O-N 3.36Å; V283-L285 VanDerWaalsContact C-N 3.33Å; V283-L285 PolarHBondContact O-N 3.07Å; V283-L286 WeakPolarHBondContact O-CB 3.34Å; V283-L286 PolarHBondContact O-N 3.05Å; V283-E287 PolarHBondContact O-N 3.39Å
284D98.8Very high96.7Very high57 Ų5736.6 Ų36.631%0.30522%0.222SC..Hα-helixtrans-60.5-41.1176.4179.356.2000111.8P280 E287 K288 H306P280-D284 PolarHBondContact O-N 3.04Å; D284-E287 PolarHBondContact O-N 3.19Å; D284-K288 WeakPolarHBondContact O-CG 3.21Å; D284-K288 PolarHBondContact O-N 3Å; D284-K288 WeakPolarHBondContact OD1-CE 3.45Å; D284-K288 IonicContact OD1-NZ 3.36Å; D284-K288 WeakPolarHBondContact OD2-CE 3.18Å; D284-K288 IonicContact OD2-NZ 2.66Å; D284-K288 PolarHBondContact OD2-NZ 2.99Å; D284-H306 IonicContact OD2-CE1 3.07Å; D284-H306 PolarHBondContact OD2-CE1 3.16Å; D284-H306 IonicContact OD2-NE2 3.42Å; D284-H306 PolarHBondContact OD2-NE2 3.37Å
285L98.8Very high96.4Very high0 Ų039.8 Ų39.80%024%0.238CC..Hα-helixtrans-63.3-44.1175.1-173.859.4000112M214 L281 A282 V283 E287 K288 M289 I298 A303 H306 Y308 F309M214-L285 HydrophobicContact CE-CB 4.41Å; M214-L285 HydrophobicContact CE-CD2 4.1Å; M214-L285 HydrophobicContact SD-CD2 4Å; M214-L285 HydrophobicContact SD-CG 4.38Å; L281-L285 WeakPolarHBondContact O-CB 3.45Å; L281-L285 PolarHBondContact O-N 2.82Å; A282-L285 PolarHBondContact O-N 2.66Å; V283-L285 VanDerWaalsContact C-N 3.33Å; V283-L285 PolarHBondContact O-N 3.07Å; L285-E287 VanDerWaalsContact C-N 3.29Å; L285-E287 PolarHBondContact O-N 2.99Å; L285-K288 PolarHBondContact O-N 3.49Å; L285-K288 VanDerWaalsContact O-N 3.1Å; L285-M289 HydrophobicContact CD1-CE 3.87Å; L285-M289 HydrophobicContact CD2-CE 3.86Å; L285-M289 HydrophobicContact CG-CE 3.74Å; L285-M289 HydrophobicContact CG-SD 4.23Å; L285-M289 WeakPolarHBondContact O-CG 3.36Å; L285-M289 PolarHBondContact O-N 3.31Å; L285-I298 HydrophobicContact CD1-CD1 4.37Å; L285-A303 HydrophobicContact CD1-CB 4.3Å; L285-H306 HydrophobicContact CD1-CB 4.1Å; L285-Y308 HydrophobicContact CD2-CD1 3.78Å; L285-Y308 HydrophobicContact CD2-CG 4.43Å; L285-F309 HydrophobicContact CD2-CE2 3.43Å; L285-F309 VanDerWaalsContact CD2-CE2 3.43Å; L285-F309 HydrophobicContact CD2-CZ 3.43Å; L285-F309 VanDerWaalsContact CD2-CZ 3.43Å
286L98.8Very high96.3Very high0 Ų045.9 Ų45.90%026%0.264CS..Hα-helixtrans-59.4-38.6174.5-77.6173.2000112.1G211 M214 A215 L218 F271 F275 A282 V283 K288 M289 L290G211-L286 WeakPolarHBondContact O-CD2 3.5Å; M214-L286 HydrophobicContact CB-CD2 3.99Å; M214-L286 HydrophobicContact CE-CG 4.4Å; M214-L286 HydrophobicContact CG-CD2 3.96Å; M214-L286 HydrophobicContact CG-CG 4.36Å; M214-L286 HydrophobicContact SD-CD2 4.07Å; M214-L286 HydrophobicContact SD-CG 4.16Å; A215-L286 HydrophobicContact CB-CD1 4.47Å; A215-L286 HydrophobicContact CB-CD2 4.12Å; L218-L286 HydrophobicContact CD1-CD1 3.8Å; F271-L286 HydrophobicContact CD2-CB 4.02Å; F271-L286 HydrophobicContact CE2-CB 4.22Å; F275-L286 HydrophobicContact CD1-CD1 4.24Å; F275-L286 HydrophobicContact CD2-CD1 3.85Å; F275-L286 HydrophobicContact CE1-CD1 4.12Å; F275-L286 HydrophobicContact CE2-CD1 3.73Å; F275-L286 HydrophobicContact CG-CD1 4.12Å; F275-L286 HydrophobicContact CZ-CD1 3.87Å; A282-L286 WeakPolarHBondContact O-CG 3.41Å; A282-L286 PolarHBondContact O-N 2.9Å; V283-L286 WeakPolarHBondContact O-CB 3.34Å; V283-L286 PolarHBondContact O-N 3.05Å; L286-K288 PolarHBondContact O-N 2.79Å; L286-M289 PolarHBondContact O-N 3.07Å; L286-L290 HydrophobicContact CD2-CD1 4.24Å; L286-L290 WeakPolarHBondContact O-CB 3.49Å; L286-L290 PolarHBondContact O-N 3.3Å
287E98.4Very high96.3Very high59 Ų5939.5 Ų39.528%0.27623%0.231SC..Hα-helixtrans-64.5-29176.4-73.9-161117.900113.2K268 F271 V283 D284 L285 V291K268-E287 IonicContact NZ-OE1 2.7Å; K268-E287 PolarHBondContact NZ-OE1 3.08Å; F271-E287 HydrophobicContact CB-CG 3.7Å; F271-E287 HydrophobicContact CD1-CG 4.21Å; F271-E287 HydrophobicContact CD2-CB 4.26Å; F271-E287 HydrophobicContact CD2-CG 3.35Å; F271-E287 HydrophobicContact CE2-CG 3.97Å; F271-E287 HydrophobicContact CG-CG 3.5Å; F271-E287 VanDerWaalsContact CG-CG 3.5Å; V283-E287 PolarHBondContact O-N 3.39Å; D284-E287 PolarHBondContact O-N 3.19Å; L285-E287 VanDerWaalsContact C-N 3.29Å; L285-E287 PolarHBondContact O-N 2.99Å; E287-V291 WeakPolarHBondContact O-CG2 3.39Å
288K98.6Very high96.5Very high73 Ų7336.1 Ų36.132%0.31719%0.192SC..Hα-helixtrans-83.7-28.3176.9-67.7169.6-176.3162.40113.1D284 L285 L286 V291 I298 H306D284-K288 WeakPolarHBondContact O-CG 3.21Å; D284-K288 PolarHBondContact O-N 3Å; D284-K288 WeakPolarHBondContact OD1-CE 3.45Å; D284-K288 IonicContact OD1-NZ 3.36Å; D284-K288 WeakPolarHBondContact OD2-CE 3.18Å; D284-K288 IonicContact OD2-NZ 2.66Å; D284-K288 PolarHBondContact OD2-NZ 2.99Å; L285-K288 PolarHBondContact O-N 3.49Å; L285-K288 VanDerWaalsContact O-N 3.1Å; L286-K288 PolarHBondContact O-N 2.79Å; K288-V291 WeakPolarHBondContact O-CG2 3.48Å; K288-I298 HydrophobicContact CB-CB 4.1Å; K288-I298 HydrophobicContact CB-CD1 4.31Å; K288-I298 HydrophobicContact CB-CG2 4.05Å; K288-I298 HydrophobicContact CD-CD1 4.23Å; K288-I298 PolarHBondContact O-N 2.76Å; K288-H306 PolarHBondContact NZ-CD2 3.09Å; K288-H306 PolarHBondContact NZ-NE2 2.88Å
289M98.6Very high96.6Very high0 Ų037.4 Ų37.40%020%0.197CC..Hα-helixtrans-82.1-42.4175.7-67.3-17917100112.9I132 L136 I207 V210 M214 L285 L286 V291 R297 I298 A303I132-M289 HydrophobicContact CG2-CE 4.49Å; L136-M289 HydrophobicContact CD1-CE 3.9Å; L136-M289 HydrophobicContact CD2-CE 4.03Å; L136-M289 HydrophobicContact CG-CE 4.44Å; I207-M289 HydrophobicContact CG2-CB 3.99Å; I207-M289 HydrophobicContact CG2-CG 3.72Å; V210-M289 HydrophobicContact CB-SD 4.44Å; V210-M289 HydrophobicContact CG1-CE 3.89Å; V210-M289 HydrophobicContact CG1-SD 4Å; M214-M289 HydrophobicContact SD-SD 4.42Å; L285-M289 HydrophobicContact CD1-CE 3.87Å; L285-M289 HydrophobicContact CD2-CE 3.86Å; L285-M289 HydrophobicContact CG-CE 3.74Å; L285-M289 HydrophobicContact CG-SD 4.23Å; L285-M289 WeakPolarHBondContact O-CG 3.36Å; L285-M289 PolarHBondContact O-N 3.31Å; L286-M289 PolarHBondContact O-N 3.07Å; M289-V291 PolarHBondContact O-N 3.41Å; M289-R297 WeakPolarHBondContact O-CD 3.35Å; M289-R297 VanDerWaalsContact O-CG 3.25Å; M289-R297 WeakPolarHBondContact O-CG 3.23Å; M289-R297 PolarHBondContact O-NE 2.77Å; M289-I298 HydrophobicContact CG-CG2 3.86Å; M289-A303 HydrophobicContact CE-CB 4.23Å
290L98.2Very high96.6Very high3 Ų335.3 Ų35.32%0.01619%0.186CC..SBendtrans-89.350.3-174.6-63.3173.8000112.1W208 L223 F224 L239 T240 F271 L286W208-L290 HydrophobicContact CD2-CD2 4.17Å; W208-L290 HydrophobicContact CE3-CD2 4.26Å; W208-L290 HydrophobicContact CH2-CD2 4.42Å; W208-L290 HydrophobicContact CZ2-CD2 4.33Å; W208-L290 HydrophobicContact CZ3-CB 4.46Å; W208-L290 HydrophobicContact CZ3-CD2 4.4Å; L223-L290 HydrophobicContact CD2-CD1 3.62Å; L223-L290 HydrophobicContact CD2-CD2 4.28Å; F224-L290 HydrophobicContact CE2-CD2 4.34Å; L239-L290 HydrophobicContact CD2-CD1 4.27Å; T240-L290 WeakPolarHBondContact CG2-O 3.27Å; F271-L290 HydrophobicContact CE2-CB 4.05Å; F271-L290 HydrophobicContact CE2-CD1 3.89Å; F271-L290 HydrophobicContact CZ-CB 4.08Å; F271-L290 HydrophobicContact CZ-CD1 4.29Å; L286-L290 HydrophobicContact CD2-CD1 4.24Å; L286-L290 WeakPolarHBondContact O-CB 3.49Å; L286-L290 PolarHBondContact O-N 3.3Å
291V96.2Very high96.6Very high33 Ų3333 Ų3320%0.217%0.172CC..  trans-99.7128.9178.2-177.30000109.7E287 K288 M289 D293 K296 R297E287-V291 WeakPolarHBondContact O-CG2 3.39Å; K288-V291 WeakPolarHBondContact O-CG2 3.48Å; M289-V291 PolarHBondContact O-N 3.41Å; V291-D293 VanDerWaalsContact C-N 3.33Å; V291-D293 HydrophobicContact CG1-CB 4.15Å; V291-D293 WeakPolarHBondContact CG1-O 3.27Å; V291-K296 HydrophobicContact CG1-CB 4.03Å; V291-R297 HydrophobicContact CB-CB 4.41Å; V291-R297 PolarHBondContact O-NE 3.38Å; V291-R297 PolarHBondContact O-NH2 3.18Å
292L93Very high96.5Very high16 Ų1635.9 Ų35.98%0.08418%0.184CC..SBendtrans-68.5-32.3178.8-68.1178.8000113P192 W208 I236 T240 G241 P243 L247 T294P192-L292 HydrophobicContact CG-CD2 3.84Å; W208-L292 HydrophobicContact CH2-CD2 4.08Å; W208-L292 HydrophobicContact CZ3-CD2 4.22Å; I236-L292 HydrophobicContact CG2-CD2 3.79Å; T240-L292 WeakPolarHBondContact OG1-CD1 3.25Å; G241-L292 WeakPolarHBondContact O-CD1 3.37Å; P243-L292 HydrophobicContact CG-CD1 4.05Å; L247-L292 HydrophobicContact CD2-CB 3.87Å; L292-T294 PolarHBondContact O-N 3.27Å
293D91.2Very high96.5Very high11 Ų1135.9 Ų35.96%0.05918%0.184CC..SBendtrans-81.5106.4177.4-167.3-18.2000109.3L247 R250 V291 D295 K296 R297L247-D293 HydrophobicContact CD1-CB 4.29Å; L247-D293 HydrophobicContact CD2-CB 4.24Å; R250-D293 IonicContact CZ-OD1 3.8Å; R250-D293 IonicContact NH2-OD1 2.68Å; R250-D293 PolarHBondContact NH2-OD1 3.45Å; R250-D293 IonicContact NH2-OD2 3.2Å; R250-D293 PolarHBondContact NH2-OD2 3.12Å; V291-D293 VanDerWaalsContact C-N 3.33Å; V291-D293 HydrophobicContact CG1-CB 4.15Å; V291-D293 WeakPolarHBondContact CG1-O 3.27Å; D293-D295 PolarHBondContact O-N 2.75Å; D293-D295 PolarHBondContact OD1-N 3.2Å; D293-K296 HydrophobicContact CB-CB 4.25Å; D293-K296 HydrophobicContact CB-CD 4.07Å; D293-K296 HydrophobicContact CB-CG 4.27Å; D293-K296 PolarHBondContact O-N 3.42Å; D293-K296 WeakPolarHBondContact OD2-CD 3.43Å; D293-K296 VanDerWaalsContact OD2-CE 3.27Å; D293-K296 WeakPolarHBondContact OD2-CE 2.78Å; D293-K296 IonicContact OD2-NZ 3.5Å; D293-K296 PolarHBondContact OD2-NZ 3.09Å; D293-R297 PolarHBondContact O-N 3.1Å
294T89.6Confident96.5Very high3 Ų335.3 Ų35.32%0.01818%0.181CC..G310 helixtrans-57.8-33.3-174.951.10000113E193 L292 K296 R297E193-T294 HydrophobicContact CG-CG2 3.92Å; E193-T294 VanDerWaalsContact OE1-CG2 3.22Å; E193-T294 WeakPolarHBondContact OE1-CG2 3.48Å; L292-T294 PolarHBondContact O-N 3.27Å; T294-K296 PolarHBondContact O-N 3.08Å; T294-R297 PolarHBondContact O-N 3.27Å
295D89.3Confident96.5Very high107 Ų10735.7 Ų35.757%0.57219%0.191SC*.G310 helixtrans-77.2-11.2-177.4-53.5-25.3000112.5R250 D293R250-D295 IonicContact CZ-OD2 2.79Å; R250-D295 IonicContact NH1-OD2 3.07Å; R250-D295 PolarHBondContact NH1-OD2 2.68Å; R250-D295 IonicContact NH2-OD2 3.31Å; D293-D295 PolarHBondContact O-N 2.75Å; D293-D295 PolarHBondContact OD1-N 3.2Å
296K93.8Very high96.5Very high135 Ų13536.4 Ų36.459%0.58720%0.195SC*.G310 helixtrans-108.7-4.6176.9-63.3179.9-175.7141.50112.6V291 D293 T294V291-K296 HydrophobicContact CG1-CB 4.03Å; D293-K296 HydrophobicContact CB-CB 4.25Å; D293-K296 HydrophobicContact CB-CD 4.07Å; D293-K296 HydrophobicContact CB-CG 4.27Å; D293-K296 PolarHBondContact O-N 3.42Å; D293-K296 WeakPolarHBondContact OD2-CD 3.43Å; D293-K296 VanDerWaalsContact OD2-CE 3.27Å; D293-K296 WeakPolarHBondContact OD2-CE 2.78Å; D293-K296 IonicContact OD2-NZ 3.5Å; D293-K296 PolarHBondContact OD2-NZ 3.09Å; T294-K296 PolarHBondContact O-N 3.08Å
297R96.4Very high96.5Very high5 Ų542.8 Ų42.82%0.01923%0.225CC..SBendtrans-73.9132.9177.7-164177.4-58.7143.31.2107.9E193 T204 I207 M289 V291 D293 T294E193-R297 IonicContact OE1-CZ 2.98Å; E193-R297 IonicContact OE1-NH1 2.74Å; E193-R297 PolarHBondContact OE1-NH1 3.46Å; E193-R297 IonicContact OE1-NH2 3.06Å; E193-R297 PolarHBondContact OE1-NH2 3.25Å; E193-R297 VanDerWaalsContact OE1-NH2 3.07Å; E193-R297 IonicContact OE2-NH2 3.27Å; E193-R297 PolarHBondContact OE2-NH2 3.31Å; T204-R297 VanDerWaalsContact C-NH1 3.31Å; T204-R297 HydrophobicContact CG2-CB 4.42Å; T204-R297 VanDerWaalsContact O-CD 3.26Å; T204-R297 WeakPolarHBondContact O-CD 3.37Å; T204-R297 PolarHBondContact O-NH1 2.85Å; T204-R297 PolarHBondContact OG1-NH1 3.2Å; I207-R297 HydrophobicContact CB-CG 4.42Å; I207-R297 HydrophobicContact CG2-CG 4.09Å; M289-R297 WeakPolarHBondContact O-CD 3.35Å; M289-R297 VanDerWaalsContact O-CG 3.25Å; M289-R297 WeakPolarHBondContact O-CG 3.23Å; M289-R297 PolarHBondContact O-NE 2.77Å; V291-R297 HydrophobicContact CB-CB 4.41Å; V291-R297 PolarHBondContact O-NE 3.38Å; V291-R297 PolarHBondContact O-NH2 3.18Å; D293-R297 PolarHBondContact O-N 3.1Å; T294-R297 PolarHBondContact O-N 3.27Å
298I98.4Very high96.5Very high18 Ų1840 Ų409%0.09221%0.211CC..PPolyproline II helixtrans-56.6143.1177.4-164168.1000110.5I207 L285 K288 M289 E302 A303I207-I298 WeakPolarHBondContact CG1-O 3.48Å; I207-I298 HydrophobicContact CG2-CG2 3.96Å; I207-I298 WeakPolarHBondContact CG2-O 3.32Å; L285-I298 HydrophobicContact CD1-CD1 4.37Å; K288-I298 HydrophobicContact CB-CB 4.1Å; K288-I298 HydrophobicContact CB-CD1 4.31Å; K288-I298 HydrophobicContact CB-CG2 4.05Å; K288-I298 HydrophobicContact CD-CD1 4.23Å; K288-I298 PolarHBondContact O-N 2.76Å; M289-I298 HydrophobicContact CG-CG2 3.86Å; I298-E302 HydrophobicContact CD1-CB 4.03Å; I298-E302 HydrophobicContact CG1-CB 3.45Å; I298-E302 VanDerWaalsContact CG1-CB 3.45Å; I298-A303 HydrophobicContact CD1-CB 3.96Å; I298-A303 HydrophobicContact CG1-CB 4.16Å; I298-A303 HydrophobicContact CG2-CB 4.3Å
299T98.2Very high96.5Very high54 Ų5436.5 Ų36.533%0.33120%0.196SC..PPolyproline II helixtrans-83.5169.5173.261.30000111.5E302 A303T299-E302 WeakPolarHBondContact CB-OE2 3.28Å; T299-E302 WeakPolarHBondContact CG2-OE2 3.45Å; T299-E302 PolarHBondContact N-OE2 2.7Å; T299-E302 PolarHBondContact O-N 3.36Å; T299-E302 WeakPolarHBondContact OG1-CB 3.37Å; T299-E302 VanDerWaalsContact OG1-CD 3.22Å; T299-E302 WeakPolarHBondContact OG1-CG 3.45Å; T299-E302 PolarHBondContact OG1-N 3.01Å; T299-E302 PolarHBondContact OG1-OE2 3.13Å; T299-A303 WeakPolarHBondContact O-CB 3.14Å; T299-A303 PolarHBondContact O-N 3.27Å
300A98.1Very high96.4Very high2 Ų240.5 Ų40.52%0.01722%0.224CC..Hα-helixtrans-60.3-45.8175.100000111.6L139 K140 I207 A303 L304L139-A300 HydrophobicContact CB-CB 4.32Å; L139-A300 HydrophobicContact CG-CB 4.44Å; K140-A300 HydrophobicContact CB-CB 4.12Å; I207-A300 HydrophobicContact CD1-CB 4.04Å; A300-A303 PolarHBondContact O-N 3.12Å; A300-L304 WeakPolarHBondContact O-CG 3.43Å; A300-L304 PolarHBondContact O-N 2.95Å
301S97.4Very high96.2Very high55 Ų5546.6 Ų46.639%0.38525%0.253SS..Hα-helixtrans-62-44.6178.8-52.20000112.7A303 L304 A305S301-A303 VanDerWaalsContact C-N 3.32Å; S301-A303 PolarHBondContact O-N 3.41Å; S301-L304 PolarHBondContact O-N 3.08Å; S301-A305 PolarHBondContact O-N 3.04Å
302E98.3Very high96.2Very high111 Ų11148.2 Ų48.252%0.51926%0.256SS..Hα-helixtrans-67.4-34.4176.2-69.5164.7147.700112.1I298 T299 A305I298-E302 HydrophobicContact CD1-CB 4.03Å; I298-E302 HydrophobicContact CG1-CB 3.45Å; I298-E302 VanDerWaalsContact CG1-CB 3.45Å; T299-E302 WeakPolarHBondContact CB-OE2 3.28Å; T299-E302 WeakPolarHBondContact CG2-OE2 3.45Å; T299-E302 PolarHBondContact N-OE2 2.7Å; T299-E302 PolarHBondContact O-N 3.36Å; T299-E302 WeakPolarHBondContact OG1-CB 3.37Å; T299-E302 VanDerWaalsContact OG1-CD 3.22Å; T299-E302 WeakPolarHBondContact OG1-CG 3.45Å; T299-E302 PolarHBondContact OG1-N 3.01Å; T299-E302 PolarHBondContact OG1-OE2 3.13Å; E302-A305 PolarHBondContact O-N 3.47Å
303A98.6Very high96.3Very high0 Ų050.4 Ų50.40%027%0.266CS..Hα-helixtrans-69.9-35.9178.600000112.3L136 L285 M289 I298 T299 A300 S301 A305 H306 F309L136-A303 HydrophobicContact CD1-CB 3.73Å; L136-A303 HydrophobicContact CD2-CB 3.98Å; L136-A303 HydrophobicContact CG-CB 4.47Å; L285-A303 HydrophobicContact CD1-CB 4.3Å; M289-A303 HydrophobicContact CE-CB 4.23Å; I298-A303 HydrophobicContact CD1-CB 3.96Å; I298-A303 HydrophobicContact CG1-CB 4.16Å; I298-A303 HydrophobicContact CG2-CB 4.3Å; T299-A303 WeakPolarHBondContact O-CB 3.14Å; T299-A303 PolarHBondContact O-N 3.27Å; A300-A303 PolarHBondContact O-N 3.12Å; S301-A303 VanDerWaalsContact C-N 3.32Å; S301-A303 PolarHBondContact O-N 3.41Å; A303-A305 VanDerWaalsContact C-N 3.31Å; A303-A305 PolarHBondContact O-N 3.13Å; A303-H306 WeakPolarHBondContact O-CB 3.38Å; A303-H306 PolarHBondContact O-N 3.21Å; A303-H306 VanDerWaalsContact O-N 3.08Å; A303-F309 WeakPolarHBondContact O-CD2 3.41Å; A303-F309 VanDerWaalsContact O-CE2 3.3Å; A303-F309 WeakPolarHBondContact O-CE2 3.46Å
304L98.6Very high96.5Very high0 Ų053.4 Ų53.40%028%0.282CS..Hα-helixtrans-60.8-39.6174.6-75.4161.8000112Y133 L136 R137 K140 A300 S301 H306 H313 E318Y133-L304 HydrophobicContact CD2-CD2 3.61Å; Y133-L304 HydrophobicContact CE2-CD2 3.51Å; L136-L304 HydrophobicContact CB-CD2 3.84Å; L136-L304 HydrophobicContact CB-CG 3.97Å; R137-L304 HydrophobicContact CB-CD2 4.2Å; K140-L304 HydrophobicContact CB-CD1 3.93Å; K140-L304 HydrophobicContact CD-CD1 3.68Å; K140-L304 HydrophobicContact CG-CD1 4.41Å; A300-L304 WeakPolarHBondContact O-CG 3.43Å; A300-L304 PolarHBondContact O-N 2.95Å; S301-L304 PolarHBondContact O-N 3.08Å; L304-H306 PolarHBondContact O-N 3.09Å; L304-H306 VanDerWaalsContact O-N 3.17Å; L304-H313 PolarHBondContact O-ND1 3.46Å; L304-E318 HydrophobicContact CD1-CG 4.36Å
305A98.3Very high96.7Very high64 Ų6457.1 Ų57.153%0.52931%0.306SS..THydrogen-bonded Turntrans-74.21.9175.800000114.2S301 E302 A303S301-A305 PolarHBondContact O-N 3.04Å; E302-A305 PolarHBondContact O-N 3.47Å; A303-A305 VanDerWaalsContact C-N 3.31Å; A303-A305 PolarHBondContact O-N 3.13Å
306H98.8Very high96.9Very high16 Ų1659.9 Ų59.97%0.07432%0.32CS..SBendtrans-68.7143.7179.5-165.1-98000111.6L281 D284 L285 K288 A303 L304 Y308 F309L281-H306 PolarHBondContact O-CE1 3.38Å; D284-H306 IonicContact OD2-CE1 3.07Å; D284-H306 PolarHBondContact OD2-CE1 3.16Å; D284-H306 IonicContact OD2-NE2 3.42Å; D284-H306 PolarHBondContact OD2-NE2 3.37Å; L285-H306 HydrophobicContact CD1-CB 4.1Å; K288-H306 PolarHBondContact NZ-CD2 3.09Å; K288-H306 PolarHBondContact NZ-NE2 2.88Å; A303-H306 WeakPolarHBondContact O-CB 3.38Å; A303-H306 PolarHBondContact O-N 3.21Å; A303-H306 VanDerWaalsContact O-N 3.08Å; L304-H306 PolarHBondContact O-N 3.09Å; L304-H306 VanDerWaalsContact O-N 3.17Å; H306-Y308 VanDerWaalsContact ND1-CB 3.29Å; H306-Y308 WeakPolarHBondContact ND1-CB 3.46Å; H306-Y308 PolarHBondContact ND1-N 3.09Å; H306-Y308 VanDerWaalsContact ND1-N 3.19Å; H306-Y308 PolarHBondContact O-N 3.42Å; H306-F309 HydrophobicContact CB-CD2 4.31Å; H306-F309 PolarHBondContact O-N 3.3Å
307Q98.3Very high97Very high133 Ų13357.2 Ų57.262%0.62131%0.313SS*.G310 helixtrans-58.1-24.5-179.5-169.7178.53.300113.3L281 F309 S310L281-Q307 HydrophobicContact CD1-CB 4.34Å; L281-Q307 HydrophobicContact CD1-CG 3.92Å; L281-Q307 HydrophobicContact CD2-CB 4.17Å; L281-Q307 HydrophobicContact CD2-CG 4.27Å; Q307-F309 PolarHBondContact O-N 3.11Å; Q307-S310 WeakPolarHBondContact O-CB 3.45Å; Q307-S310 PolarHBondContact O-N 2.94Å; Q307-S310 PolarHBondContact O-OG 3.14Å
308Y98.7Very high97Very high0 Ų057.4 Ų57.40%031%0.314CS..G310 helixtrans-59.7-20.8172.6-171.9-117.5000112.9D125 Q129 M214 N279 L281 A282 L285 H306D125-Y308 PolarHBondContact O-OH 3.12Å; D125-Y308 PolarHBondContact OD1-OH 3.49Å; Q129-Y308 HydrophobicContact CB-CE1 4.05Å; Q129-Y308 VanDerWaalsContact CD-O 3.23Å; Q129-Y308 HydrophobicContact CG-CD1 4.35Å; Q129-Y308 HydrophobicContact CG-CE1 4.06Å; Q129-Y308 HydrophobicContact CG-CE2 4.44Å; Q129-Y308 WeakPolarHBondContact CG-O 3.26Å; Q129-Y308 PolarHBondContact N-OH 3.08Å; Q129-Y308 PolarHBondContact NE2-O 3.47Å; M214-Y308 HydrophobicContact CE-CD1 4.01Å; M214-Y308 HydrophobicContact CE-CE1 3.57Å; N279-Y308 HydrophobicContact CB-CE2 4.35Å; L281-Y308 HydrophobicContact CB-CD2 3.86Å; L281-Y308 HydrophobicContact CB-CG 4.38Å; A282-Y308 HydrophobicContact CB-CD2 4.05Å; A282-Y308 HydrophobicContact CB-CE1 4.45Å; A282-Y308 HydrophobicContact CB-CE2 3.59Å; L285-Y308 HydrophobicContact CD2-CD1 3.78Å; L285-Y308 HydrophobicContact CD2-CG 4.43Å; H306-Y308 VanDerWaalsContact ND1-CB 3.29Å; H306-Y308 WeakPolarHBondContact ND1-CB 3.46Å; H306-Y308 PolarHBondContact ND1-N 3.09Å; H306-Y308 VanDerWaalsContact ND1-N 3.19Å; H306-Y308 PolarHBondContact O-N 3.42Å
309F98.4Very high97Very high0 Ų059.2 Ų59.20%033%0.327CS..G310 helixtrans-111.416.2177.4-54.3-63.5000113.7Q129 I132 Y133 L136 L285 A303 H306 Q307 Q311 Y312 H313Q129-F309 HydrophobicContact CG-CD1 3.91Å; Q129-F309 HydrophobicContact CG-CE1 4.34Å; Q129-F309 WeakPolarHBondContact O-CE1 3.32Å; I132-F309 HydrophobicContact CB-CE1 4.12Å; I132-F309 HydrophobicContact CB-CZ 4.14Å; I132-F309 HydrophobicContact CG2-CE1 4.13Å; I132-F309 HydrophobicContact CG2-CZ 3.63Å; Y133-F309 HydrophobicContact CD2-CB 4.08Å; Y133-F309 HydrophobicContact CD2-CD1 4.4Å; Y133-F309 HydrophobicContact CD2-CG 4.23Å; L136-F309 HydrophobicContact CD1-CD2 4.4Å; L136-F309 HydrophobicContact CD1-CE2 3.43Å; L136-F309 VanDerWaalsContact CD1-CE2 3.43Å; L136-F309 HydrophobicContact CD1-CZ 3.65Å; L285-F309 HydrophobicContact CD2-CE2 3.43Å; L285-F309 VanDerWaalsContact CD2-CE2 3.43Å; L285-F309 HydrophobicContact CD2-CZ 3.43Å; L285-F309 VanDerWaalsContact CD2-CZ 3.43Å; A303-F309 WeakPolarHBondContact O-CD2 3.41Å; A303-F309 VanDerWaalsContact O-CE2 3.3Å; A303-F309 WeakPolarHBondContact O-CE2 3.46Å; H306-F309 HydrophobicContact CB-CD2 4.31Å; H306-F309 PolarHBondContact O-N 3.3Å; Q307-F309 PolarHBondContact O-N 3.11Å; F309-Q311 PolarHBondContact O-N 3.2Å; F309-Y312 PolarHBondContact O-N 3.24Å; F309-H313 WeakPolarHBondContact O-CB 3.21Å; F309-H313 PolarHBondContact O-N 3.31Å
310S96.3Very high97Very high84 Ų8463 Ų6359%0.58734%0.34SS*.THydrogen-bonded Turntrans-54.2-19.4-175.950.60000116.1Q307Q307-S310 WeakPolarHBondContact O-CB 3.45Å; Q307-S310 PolarHBondContact O-N 2.94Å; Q307-S310 PolarHBondContact O-OG 3.14Å
311Q95.3Very high96.8Very high132 Ų13263.6 Ų63.662%0.61735%0.345SS*.THydrogen-bonded Turntrans-83.2-24.8176.1-60.7-177.521.300113.8F309F309-Q311 PolarHBondContact O-N 3.2Å
312Y94.9Very high96.7Very high67 Ų6767.9 Ų67.926%0.26336%0.36SS..THydrogen-bonded Turntrans-115.5-23.3-173.6-55.1-64.3000113.3Q129 F130 Y133 F309 D314Q129-Y312 HydrophobicContact CB-CE2 4.02Å; Q129-Y312 HydrophobicContact CG-CD2 3.96Å; Q129-Y312 HydrophobicContact CG-CE2 3.65Å; F130-Y312 HydrophobicContact CB-CE2 4.06Å; F130-Y312 AromaticContact CD2-CD1 3.95Å; F130-Y312 HydrophobicContact CD2-CD1 3.95Å; F130-Y312 AromaticContact CD2-CE1 3.77Å; F130-Y312 HydrophobicContact CD2-CE1 3.77Å; F130-Y312 HydrophobicContact CD2-CE2 4.4Å; F130-Y312 HydrophobicContact CD2-CG 4.37Å; F130-Y312 HydrophobicContact CE2-CD1 4.44Å; F130-Y312 HydrophobicContact CE2-CE1 4.43Å; F130-Y312 HydrophobicContact CG-CE1 4.45Å; Y133-Y312 PolarHBondContact OH-O 3.08Å; F309-Y312 PolarHBondContact O-N 3.24Å; Y312-D314 PolarHBondContact O-N 3.05Å; Y312-D314 VanDerWaalsContact O-N 3.17Å
313H95.4Very high96.4Very high62 Ų6267.9 Ų67.929%0.28737%0.369SS..  trans-62.1117.6-177.1178.350.1000111.2L304 F309 E318L304-H313 PolarHBondContact O-ND1 3.46Å; F309-H313 WeakPolarHBondContact O-CB 3.21Å; F309-H313 PolarHBondContact O-N 3.31Å; H313-E318 IonicContact CE1-OE1 3.73Å; H313-E318 IonicContact CE1-OE2 2.65Å; H313-E318 PolarHBondContact CE1-OE2 3.14Å; H313-E318 IonicContact CG-OE1 2.82Å; H313-E318 IonicContact ND1-OE1 3.12Å; H313-E318 PolarHBondContact ND1-OE1 3.14Å; H313-E318 IonicContact ND1-OE2 3.39Å; H313-E318 PolarHBondContact ND1-OE2 3.3Å
314D95.4Very high96.1Very high74 Ų7468.8 Ų68.840%0.39637%0.373SS..  trans-133.8103.1172.5-172.9-12.2000108.5Y312 D316 D317 E318Y312-D314 PolarHBondContact O-N 3.05Å; Y312-D314 VanDerWaalsContact O-N 3.17Å; D314-D316 PolarHBondContact O-N 3.23Å; D314-D316 PolarHBondContact OD1-N 3.29Å; D314-D316 VanDerWaalsContact OD1-N 3.08Å; D314-D317 HydrophobicContact CB-CB 4.16Å; D314-D317 CarbonylContact O-C 3.56Å; D314-D317 PolarHBondContact O-N 3.31Å; D314-D317 VanDerWaalsContact O-N 3.11Å; D314-E318 VanDerWaalsContact O-CG 3.23Å; D314-E318 WeakPolarHBondContact O-CG 3.34Å; D314-E318 PolarHBondContact O-N 2.99Å
315P94Very high95.7Very high81 Ų8173.3 Ų73.353%0.52640%0.397SS..G310 helixtrans-58-28.7-179.5-23.831.8000114.5D317P315-D317 VanDerWaalsContact C-N 3.33Å
316D94.3Very high95Very high164 Ų16471.4 Ų71.488%0.87738%0.377SS*.G310 helixtrans-80.9-18.8-177.9-67.6-33.6000111.6D314D314-D316 PolarHBondContact O-N 3.23Å; D314-D316 PolarHBondContact OD1-N 3.29Å; D314-D316 VanDerWaalsContact OD1-N 3.08Å
317D95.1Very high94.6Very high80 Ų8074 Ų7443%0.42840%0.397SS..G310 helixtrans-11029.1174.8-171.830.4000112.4R137 D314 P315 P319R137-D317 VanDerWaalsContact CZ-O 3.25Å; R137-D317 IonicContact CZ-OD1 2.64Å; R137-D317 PolarHBondContact NE-O 3.43Å; R137-D317 PolarHBondContact NH2-O 3.05Å; R137-D317 IonicContact NH2-OD1 3.73Å; R137-D317 PolarHBondContact NH2-OD1 3.05Å; R137-D317 IonicContact NH2-OD2 3.41Å; D314-D317 HydrophobicContact CB-CB 4.16Å; D314-D317 CarbonylContact O-C 3.56Å; D314-D317 PolarHBondContact O-N 3.31Å; D314-D317 VanDerWaalsContact O-N 3.11Å; P315-D317 VanDerWaalsContact C-N 3.33Å; D317-P319 WeakPolarHBondContact O-CD 3.24Å
318E97.2Very high94.1Very high9 Ų967.9 Ų67.94%0.04237%0.368CS..  trans-122.272.7173.7-74.6169.2-173.500109.9Y133 R137 K140 L304 H313 D314Y133-E318 WeakPolarHBondContact CE2-OE1 3.23Å; Y133-E318 PolarHBondContact OH-OE1 3.36Å; R137-E318 HydrophobicContact CG-CG 4.25Å; K140-E318 HydrophobicContact CD-CB 4.25Å; K140-E318 VanDerWaalsContact CE-O 3.32Å; K140-E318 WeakPolarHBondContact CE-O 3.44Å; K140-E318 PolarHBondContact NZ-O 3.41Å; K140-E318 IonicContact NZ-OE2 2.84Å; L304-E318 HydrophobicContact CD1-CG 4.36Å; H313-E318 IonicContact CE1-OE1 3.73Å; H313-E318 IonicContact CE1-OE2 2.65Å; H313-E318 PolarHBondContact CE1-OE2 3.14Å; H313-E318 IonicContact CG-OE1 2.82Å; H313-E318 IonicContact ND1-OE1 3.12Å; H313-E318 PolarHBondContact ND1-OE1 3.14Å; H313-E318 IonicContact ND1-OE2 3.39Å; H313-E318 PolarHBondContact ND1-OE2 3.3Å; D314-E318 VanDerWaalsContact O-CG 3.23Å; D314-E318 WeakPolarHBondContact O-CG 3.34Å; D314-E318 PolarHBondContact O-N 2.99Å
319P97.6Very high93.5Very high56 Ų5668.5 Ų68.536%0.36437%0.371SS..PPolyproline II helixtrans-72.1158.1-16929.6-35.9000113.4D317D317-P319 WeakPolarHBondContact O-CD 3.24Å
320E97.2Very high92.9Very high132 Ų13273 Ų7362%0.61740%0.403SS*.PPolyproline II helixtrans-101.8158.9169.1-68.9-177173.300110.1S144S144-E320 WeakPolarHBondContact OG-CA 3.39Å; S144-E320 WeakPolarHBondContact OG-CB 3.43Å
321A95.8Very high92.6Very high15 Ų1573.9 Ų73.912%0.12439%0.393CS..PPolyproline II helixtrans-86.9153.6-179.100000111.6Y141 S144 A145Y141-A321 HydrophobicContact CD1-CB 3.97Å; Y141-A321 HydrophobicContact CD2-CB 3.95Å; Y141-A321 HydrophobicContact CE1-CB 3.62Å; Y141-A321 VanDerWaalsContact CE2-CA 3.48Å; Y141-A321 HydrophobicContact CE2-CB 3.64Å; Y141-A321 HydrophobicContact CG-CB 4.11Å; Y141-A321 VanDerWaalsContact CZ-CB 3.44Å; Y141-A321 WeakPolarHBondContact O-CB 3.34Å; S144-A321 PolarHBondContact OG-N 2.94Å; A145-A321 HydrophobicContact CB-CB 3.75Å
322E93.9Very high92.5Very high146 Ų14675.3 Ų75.368%0.68241%0.405SS*.PPolyproline II helixtrans-62.7151.9164.6-69.4-62.6148.200110.8H78 Y324H78-E322 PolarHBondContact CE1-O 3.37Å; H78-E322 VanDerWaalsContact CE1-O 3.22Å; H78-E322 PolarHBondContact NE2-O 3.38Å; E322-Y324 PolarHBondContact O-N 2.96Å
323P91.7Very high92.5Very high111 Ų11173 Ų7372%0.72140%0.397SS*.PPolyproline II helixtrans-55.1131.8177.2-25.434.1000112.1H78H78-P323 PolarHBondContact CE1-O 3.39Å
324Y92.5Very high92.6Very high19 Ų1975.9 Ų75.98%0.07541%0.411CS..PPolyproline II helixtrans-98.2121177.7177.5-117.6000110.6R74 L75 H78 I147 E322 Q326 F328R74-Y324 HydrophobicContact CB-CE2 4.27Å; R74-Y324 WeakPolarHBondContact CB-OH 3.34Å; L75-Y324 HydrophobicContact CD2-CD1 4.13Å; L75-Y324 HydrophobicContact CD2-CE1 3.58Å; L75-Y324 HydrophobicContact CD2-CE2 4.18Å; L75-Y324 HydrophobicContact CG-CE1 4.4Å; H78-Y324 HydrophobicContact CB-CD2 3.9Å; H78-Y324 HydrophobicContact CB-CE2 4.19Å; H78-Y324 AromaticContact CG-CD2 3.59Å; H78-Y324 AromaticContact ND1-CD2 3.7Å; I147-Y324 HydrophobicContact CD1-CD1 3.61Å; I147-Y324 HydrophobicContact CD1-CE1 4.25Å; I147-Y324 HydrophobicContact CD1-CG 3.91Å; I147-Y324 HydrophobicContact CG1-CD1 3.83Å; I147-Y324 HydrophobicContact CG1-CE1 4.4Å; E322-Y324 PolarHBondContact O-N 2.96Å; Y324-Q326 HydrophobicContact CD1-CB 4.01Å; Y324-Q326 HydrophobicContact CD1-CG 3.44Å; Y324-Q326 VanDerWaalsContact CD1-CG 3.44Å; Y324-Q326 HydrophobicContact CE1-CB 3.85Å; Y324-Q326 HydrophobicContact CE1-CG 3.82Å; Y324-Q326 HydrophobicContact CG-CG 4.38Å; Y324-Q326 VanDerWaalsContact O-CG 3.27Å; Y324-Q326 WeakPolarHBondContact O-CG 3.36Å; Y324-Q326 PolarHBondContact O-N 3.18Å; Y324-F328 HydrophobicContact CE1-CE1 4.3Å; Y324-F328 AromaticContact CZ-CE1 3.92Å; Y324-F328 VanDerWaalsContact OH-CE1 3.26Å; Y324-F328 WeakPolarHBondContact OH-CE1 3.46Å; Y324-F328 VanDerWaalsContact OH-CZ 3.29Å; Y324-F328 WeakPolarHBondContact OH-CZ 3.16Å
325D90.3Very high92.7Very high94 Ų9474.6 Ų74.650%0.50340%0.403SS..  trans-77.9105.4174.1176.915.6000111.2R74 S327R74-D325 PolarHBondContact NH2-O 2.96Å; D325-S327 WeakPolarHBondContact OD1-CB 3.31Å; D325-S327 PolarHBondContact OD1-N 2.87Å; D325-S327 PolarHBondContact OD1-OG 2.92Å; D325-S327 PolarHBondContact OD2-OG 3Å
326Q84.9Confident92.9Very high24 Ų2476.4 Ų76.411%0.11241%0.405CS..  trans-10715.2179.43.5-168.7-500112.7A145 D146 H175 Y324 F328 E329A145-Q326 PolarHBondContact O-NE2 3.21Å; A145-Q326 VanDerWaalsContact O-NE2 3.1Å; D146-Q326 PolarHBondContact O-NE2 3.34Å; H175-Q326 VanDerWaalsContact CB-OE1 3.3Å; H175-Q326 PolarHBondContact CD2-NE2 2.92Å; Y324-Q326 HydrophobicContact CD1-CB 4.01Å; Y324-Q326 HydrophobicContact CD1-CG 3.44Å; Y324-Q326 VanDerWaalsContact CD1-CG 3.44Å; Y324-Q326 HydrophobicContact CE1-CB 3.85Å; Y324-Q326 HydrophobicContact CE1-CG 3.82Å; Y324-Q326 HydrophobicContact CG-CG 4.38Å; Y324-Q326 VanDerWaalsContact O-CG 3.27Å; Y324-Q326 WeakPolarHBondContact O-CG 3.36Å; Y324-Q326 PolarHBondContact O-N 3.18Å; Q326-F328 HydrophobicContact CB-CE1 4.47Å; Q326-F328 PolarHBondContact O-N 3.29Å; Q326-E329 HydrophobicContact CB-CG 4.45Å; Q326-E329 WeakPolarHBondContact O-CB 3.48Å; Q326-E329 PolarHBondContact O-N 3.29Å
327S89Confident93.1Very high70 Ų7072.9 Ų72.949%0.4938%0.383SS..G310 helixtrans-54.4-21.5178.860.30000113.9D325 E329 S330D325-S327 WeakPolarHBondContact OD1-CB 3.31Å; D325-S327 PolarHBondContact OD1-N 2.87Å; D325-S327 PolarHBondContact OD1-OG 2.92Å; D325-S327 PolarHBondContact OD2-OG 3Å; S327-E329 VanDerWaalsContact C-N 3.29Å; S327-E329 PolarHBondContact O-N 3.25Å; S327-S330 PolarHBondContact O-OG 3Å; S327-S330 VanDerWaalsContact O-OG 3.14Å
328F89.3Confident93.2Very high5 Ų569.1 Ų69.12%0.02236%0.363CS..G310 helixtrans-68.6-20.8174.372.6-92.8000114.2Y70 R71 Y324 Q326 S330 R331 W338Y70-F328 AromaticContact CD1-CD2 3.78Å; Y70-F328 HydrophobicContact CD1-CD2 3.78Å; Y70-F328 AromaticContact CD1-CE2 3.98Å; Y70-F328 HydrophobicContact CD1-CE2 3.98Å; Y70-F328 HydrophobicContact CD1-CG 4.15Å; Y70-F328 HydrophobicContact CE1-CB 4.09Å; Y70-F328 AromaticContact CE1-CD1 3.94Å; Y70-F328 HydrophobicContact CE1-CD1 3.94Å; Y70-F328 AromaticContact CE1-CD2 3.78Å; Y70-F328 HydrophobicContact CE1-CD2 3.78Å; Y70-F328 HydrophobicContact CE1-CE1 4.32Å; Y70-F328 HydrophobicContact CE1-CE2 4.19Å; Y70-F328 AromaticContact CE1-CG 3.65Å; Y70-F328 HydrophobicContact CE1-CG 3.65Å; Y70-F328 HydrophobicContact CE1-CZ 4.44Å; R71-F328 HydrophobicContact CB-CE2 4.05Å; R71-F328 HydrophobicContact CB-CZ 4.27Å; R71-F328 HydrophobicContact CG-CE2 4.33Å; R71-F328 HydrophobicContact CG-CZ 4.2Å; Y324-F328 HydrophobicContact CE1-CE1 4.3Å; Y324-F328 AromaticContact CZ-CE1 3.92Å; Y324-F328 VanDerWaalsContact OH-CE1 3.26Å; Y324-F328 WeakPolarHBondContact OH-CE1 3.46Å; Y324-F328 VanDerWaalsContact OH-CZ 3.29Å; Y324-F328 WeakPolarHBondContact OH-CZ 3.16Å; Q326-F328 HydrophobicContact CB-CE1 4.47Å; Q326-F328 PolarHBondContact O-N 3.29Å; F328-S330 VanDerWaalsContact C-N 3.26Å; F328-S330 PolarHBondContact O-N 3.26Å; F328-R331 WeakPolarHBondContact O-CB 3.08Å; F328-R331 PolarHBondContact O-N 2.96Å; F328-R331 VanDerWaalsContact O-N 3.11Å; F328-W338 HydrophobicContact CB-CH2 4.11Å; F328-W338 HydrophobicContact CB-CZ3 4.24Å; F328-W338 HydrophobicContact CD2-CH2 4.06Å; F328-W338 HydrophobicContact CD2-CZ3 4.09Å; F328-W338 WeakPolarHBondContact O-CH2 3.47Å
329E84.6Confident93.3Very high13 Ų1369.4 Ų69.46%0.06136%0.364CS..G310 helixtrans-66-28.5-179-78-75.1-158.400112.7K67 R71 Q326 S327 R331K67-E329 WeakPolarHBondContact CE-OE2 3.38Å; K67-E329 PolarHBondContact NZ-O 3.48Å; K67-E329 IonicContact NZ-OE2 2.64Å; K67-E329 PolarHBondContact NZ-OE2 2.94Å; R71-E329 WeakPolarHBondContact CD-OE1 3.38Å; R71-E329 IonicContact CZ-OE1 2.99Å; R71-E329 IonicContact NE-OE1 3.55Å; R71-E329 IonicContact NH1-OE1 3.39Å; R71-E329 PolarHBondContact NH1-OE1 3.39Å; R71-E329 IonicContact NH1-OE2 2.77Å; Q326-E329 HydrophobicContact CB-CG 4.45Å; Q326-E329 WeakPolarHBondContact O-CB 3.48Å; Q326-E329 PolarHBondContact O-N 3.29Å; S327-E329 VanDerWaalsContact C-N 3.29Å; S327-E329 PolarHBondContact O-N 3.25Å; E329-R331 VanDerWaalsContact C-N 3.34Å
330S85.7Confident93.3Very high95 Ų9568.6 Ų68.666%0.66436%0.36SS*.G310 helixtrans-87-2.8175.461.70000113.7S327 F328S327-S330 PolarHBondContact O-OG 3Å; S327-S330 VanDerWaalsContact O-OG 3.14Å; F328-S330 VanDerWaalsContact C-N 3.26Å; F328-S330 PolarHBondContact O-N 3.26Å
331R90.8Very high93.3Very high103 Ų10364.1 Ų64.139%0.38934%0.34SS..  trans-80.6131.7179.2-65.1177.559.6-176-5.4111.1F328 E329 L333 W338F328-R331 WeakPolarHBondContact O-CB 3.08Å; F328-R331 PolarHBondContact O-N 2.96Å; F328-R331 VanDerWaalsContact O-N 3.11Å; E329-R331 VanDerWaalsContact C-N 3.34Å; R331-L333 HydrophobicContact CB-CD1 4.33Å; R331-L333 HydrophobicContact CB-CD2 4.27Å; R331-L333 HydrophobicContact CB-CG 3.97Å; R331-L333 VanDerWaalsContact CZ-CD1 3.46Å; R331-W338 HydrophobicContact CB-CH2 4.37Å; R331-W338 HydrophobicContact CB-CZ2 4.48Å
332D92.8Very high93.4Very high162 Ų16263.4 Ų63.487%0.86633%0.334SS*.  trans-96.7101.2166.7-69.2-38.2000108.8
333L96.1Very high93.6Very high18 Ų1858.4 Ų58.49%0.09431%0.309CS..  trans-122.5153.3-179.6-49.7174.4000111.4R331 E337 W338 L341R331-L333 HydrophobicContact CB-CD1 4.33Å; R331-L333 HydrophobicContact CB-CD2 4.27Å; R331-L333 HydrophobicContact CB-CG 3.97Å; R331-L333 VanDerWaalsContact CZ-CD1 3.46Å; L333-E337 WeakPolarHBondContact CA-OE2 3.1Å; L333-E337 HydrophobicContact CB-CB 3.9Å; L333-E337 WeakPolarHBondContact CB-OE2 3.46Å; L333-E337 HydrophobicContact CD1-CB 4.33Å; L333-W338 HydrophobicContact CB-CD2 4.3Å; L333-W338 HydrophobicContact CB-CG 4.42Å; L333-W338 HydrophobicContact CB-CZ2 4.07Å; L333-W338 HydrophobicContact CD1-CD2 3.93Å; L333-W338 HydrophobicContact CD1-CE3 3.98Å; L333-W338 HydrophobicContact CD1-CH2 3.68Å; L333-W338 HydrophobicContact CD1-CZ2 3.65Å; L333-W338 HydrophobicContact CD1-CZ3 3.85Å; L333-W338 HydrophobicContact CG-CH2 4.32Å; L333-W338 HydrophobicContact CG-CZ2 3.87Å; L333-W338 PolarHBondContact O-NE1 3.44Å; L333-L341 HydrophobicContact CD1-CD1 3.67Å
334E97.6Very high93.9Very high123 Ų12357.3 Ų57.358%0.57530%0.297SS*.  trans-73.7165.8172.3-65.9-63.4165.400111.8E336 E337 W338E334-E336 VanDerWaalsContact C-N 3.33Å; E334-E336 PolarHBondContact O-N 3.12Å; E334-E337 PolarHBondContact N-OE2 3.46Å; E334-E337 PolarHBondContact O-N 3Å; E334-W338 PolarHBondContact O-N 3.15Å; E334-W338 VanDerWaalsContact O-N 3.17Å
335I97.4Very high94.1Very high46 Ų4658.1 Ų58.124%0.23630%0.302CS..Hα-helixtrans-57.1-45.3-177.2-62.3177.3000111.7F60 I63 A66 E337 W338 K339F60-I335 HydrophobicContact CB-CG2 4.07Å; F60-I335 WeakPolarHBondContact O-CG2 3.34Å; I63-I335 HydrophobicContact CB-CG1 4.47Å; I63-I335 HydrophobicContact CG1-CD1 4.37Å; I63-I335 HydrophobicContact CG1-CG1 3.65Å; A66-I335 HydrophobicContact CB-CG2 4.38Å; I335-E337 VanDerWaalsContact C-N 3.3Å; I335-E337 PolarHBondContact O-N 3.38Å; I335-W338 PolarHBondContact O-N 2.94Å; I335-K339 VanDerWaalsContact O-CB 3.29Å; I335-K339 WeakPolarHBondContact O-CB 3.46Å; I335-K339 PolarHBondContact O-N 3.4Å
336E97.4Very high94.5Very high119 Ų11954.3 Ų54.356%0.55628%0.281SS*.Hα-helixtrans-67.2-30.9-177.3-66.9-56.6135.700112.7E334 K339 S340E334-E336 VanDerWaalsContact C-N 3.33Å; E334-E336 PolarHBondContact O-N 3.12Å; E336-K339 PolarHBondContact O-N 3.36Å; E336-S340 WeakPolarHBondContact O-CB 3.34Å; E336-S340 PolarHBondContact O-N 2.95Å
337E98Very high94.9Very high91 Ų9157.8 Ų57.843%0.42530%0.304SS..Hα-helixtrans-70-45.4175.4-64.4178.2109.800110.9L333 E334 I335 K339 S340 L341L333-E337 WeakPolarHBondContact CA-OE2 3.1Å; L333-E337 HydrophobicContact CB-CB 3.9Å; L333-E337 WeakPolarHBondContact CB-OE2 3.46Å; L333-E337 HydrophobicContact CD1-CB 4.33Å; E334-E337 PolarHBondContact N-OE2 3.46Å; E334-E337 PolarHBondContact O-N 3Å; I335-E337 VanDerWaalsContact C-N 3.3Å; I335-E337 PolarHBondContact O-N 3.38Å; E337-K339 VanDerWaalsContact C-N 3.29Å; E337-K339 PolarHBondContact O-N 3Å; E337-S340 PolarHBondContact O-N 3.24Å; E337-L341 WeakPolarHBondContact O-CG 3.21Å; E337-L341 PolarHBondContact O-N 3.15Å
338W98.1Very high95.1Very high1 Ų157.7 Ų57.70%0.00430%0.304CS..Hα-helixtrans-61.7-38.8173-75.7120.3000112.5A66 K67 Y70 F328 R331 L333 E334 I335 L341 T342A66-W338 HydrophobicContact CB-CB 3.64Å; A66-W338 HydrophobicContact CB-CG 4.21Å; K67-W338 HydrophobicContact CB-CD2 4.11Å; K67-W338 HydrophobicContact CB-CG 4.41Å; K67-W338 HydrophobicContact CB-CZ2 4.26Å; K67-W338 HydrophobicContact CD-CH2 4.38Å; K67-W338 HydrophobicContact CD-CZ2 3.76Å; K67-W338 HydrophobicContact CG-CD2 4.41Å; K67-W338 HydrophobicContact CG-CH2 4.19Å; K67-W338 HydrophobicContact CG-CZ2 3.83Å; Y70-W338 AromaticContact CD1-CE3 3.85Å; Y70-W338 HydrophobicContact CD1-CE3 3.85Å; Y70-W338 AromaticContact CD1-CZ3 3.54Å; Y70-W338 HydrophobicContact CD1-CZ3 3.54Å; Y70-W338 AromaticContact CE1-CZ3 3.98Å; Y70-W338 HydrophobicContact CE1-CZ3 3.98Å; Y70-W338 AromaticContact CG-CE3 3.97Å; Y70-W338 HydrophobicContact CG-CE3 3.97Å; Y70-W338 HydrophobicContact CG-CZ3 4.14Å; F328-W338 HydrophobicContact CB-CH2 4.11Å; F328-W338 HydrophobicContact CB-CZ3 4.24Å; F328-W338 HydrophobicContact CD2-CH2 4.06Å; F328-W338 HydrophobicContact CD2-CZ3 4.09Å; F328-W338 WeakPolarHBondContact O-CH2 3.47Å; R331-W338 HydrophobicContact CB-CH2 4.37Å; R331-W338 HydrophobicContact CB-CZ2 4.48Å; L333-W338 HydrophobicContact CB-CD2 4.3Å; L333-W338 HydrophobicContact CB-CG 4.42Å; L333-W338 HydrophobicContact CB-CZ2 4.07Å; L333-W338 HydrophobicContact CD1-CD2 3.93Å; L333-W338 HydrophobicContact CD1-CE3 3.98Å; L333-W338 HydrophobicContact CD1-CH2 3.68Å; L333-W338 HydrophobicContact CD1-CZ2 3.65Å; L333-W338 HydrophobicContact CD1-CZ3 3.85Å; L333-W338 HydrophobicContact CG-CH2 4.32Å; L333-W338 HydrophobicContact CG-CZ2 3.87Å; L333-W338 PolarHBondContact O-NE1 3.44Å; E334-W338 PolarHBondContact O-N 3.15Å; E334-W338 VanDerWaalsContact O-N 3.17Å; I335-W338 PolarHBondContact O-N 2.94Å; W338-L341 HydrophobicContact CE3-CD1 3.88Å; W338-L341 HydrophobicContact CZ3-CD1 3.88Å; W338-L341 PolarHBondContact O-N 3.26Å; W338-T342 WeakPolarHBondContact O-CB 3.5Å; W338-T342 PolarHBondContact O-N 3.29Å; W338-T342 PolarHBondContact O-OG1 3.13Å
339K98.1Very high95.4Very high15 Ų1558.5 Ų58.57%0.06531%0.307CS..Hα-helixtrans-64-44.8176.9-179.7-178.8166.5179.10111.2F60 L97 F100 I335 E336 E337 T342 Y343F60-K339 HydrophobicContact CD1-CB 3.95Å; F60-K339 HydrophobicContact CD1-CG 4.14Å; F60-K339 HydrophobicContact CD2-CD 4.23Å; F60-K339 HydrophobicContact CD2-CG 4.15Å; F60-K339 HydrophobicContact CE1-CB 4.1Å; F60-K339 HydrophobicContact CE1-CG 4.14Å; F60-K339 HydrophobicContact CE2-CG 4.13Å; F60-K339 HydrophobicContact CG-CB 4.32Å; F60-K339 HydrophobicContact CG-CD 4.32Å; F60-K339 HydrophobicContact CG-CG 4.17Å; F60-K339 HydrophobicContact CZ-CG 4.14Å; L97-K339 HydrophobicContact CD1-CG 4.18Å; L97-K339 WeakPolarHBondContact O-CE 3.27Å; L97-K339 PolarHBondContact O-NZ 3.26Å; F100-K339 HydrophobicContact CD1-CD 4.47Å; F100-K339 HydrophobicContact CD1-CG 3.66Å; F100-K339 HydrophobicContact CE1-CG 4.16Å; F100-K339 WeakPolarHBondContact O-CE 3.26Å; F100-K339 PolarHBondContact O-NZ 3.3Å; I335-K339 VanDerWaalsContact O-CB 3.29Å; I335-K339 WeakPolarHBondContact O-CB 3.46Å; I335-K339 PolarHBondContact O-N 3.4Å; E336-K339 PolarHBondContact O-N 3.36Å; E337-K339 VanDerWaalsContact C-N 3.29Å; E337-K339 PolarHBondContact O-N 3Å; K339-T342 PolarHBondContact O-N 2.99Å; K339-Y343 WeakPolarHBondContact O-CB 3.36Å; K339-Y343 PolarHBondContact O-N 3.35Å
340S98.1Very high95.7Very high39 Ų3965.6 Ų65.627%0.27334%0.34SS..Hα-helixtrans-59.2-49.1174.1-169.80000111.4E336 E337 T342 Y343 D344E336-S340 WeakPolarHBondContact O-CB 3.34Å; E336-S340 PolarHBondContact O-N 2.95Å; E337-S340 PolarHBondContact O-N 3.24Å; S340-T342 VanDerWaalsContact C-N 3.29Å; S340-T342 PolarHBondContact O-N 3.47Å; S340-Y343 WeakPolarHBondContact O-CB 3.41Å; S340-Y343 PolarHBondContact O-N 2.97Å; S340-Y343 VanDerWaalsContact O-N 3.11Å; S340-D344 PolarHBondContact O-N 3.48Å
341L98.1Very high95.9Very high38 Ų3863.4 Ų63.420%0.19932%0.324CS..Hα-helixtrans-59.9-41178-70.2174000111.8Y70 L333 E337 W338 D344 E345Y70-L341 HydrophobicContact CD2-CB 3.81Å; Y70-L341 HydrophobicContact CE2-CB 3.55Å; L333-L341 HydrophobicContact CD1-CD1 3.67Å; E337-L341 WeakPolarHBondContact O-CG 3.21Å; E337-L341 PolarHBondContact O-N 3.15Å; W338-L341 HydrophobicContact CE3-CD1 3.88Å; W338-L341 HydrophobicContact CZ3-CD1 3.88Å; W338-L341 PolarHBondContact O-N 3.26Å; L341-D344 PolarHBondContact O-N 3.38Å; L341-E345 WeakPolarHBondContact O-CG 3.4Å; L341-E345 PolarHBondContact O-N 3.39Å; L341-E345 VanDerWaalsContact O-N 3.13Å
342T98.1Very high95.6Very high0 Ų061.3 Ų61.30%032%0.324CS..Hα-helixtrans-64.1-42.6176.2-54.40000111.1F60 T69 L73 F100 V103 W338 K339 S340 D344 E345 V346F60-T342 HydrophobicContact CE1-CG2 4.33Å; F60-T342 HydrophobicContact CZ-CG2 4.2Å; T69-T342 HydrophobicContact CG2-CG2 3.93Å; L73-T342 HydrophobicContact CD2-CG2 4.05Å; F100-T342 HydrophobicContact CE1-CG2 4.15Å; F100-T342 HydrophobicContact CZ-CG2 3.99Å; V103-T342 HydrophobicContact CG2-CG2 4.36Å; W338-T342 WeakPolarHBondContact O-CB 3.5Å; W338-T342 PolarHBondContact O-N 3.29Å; W338-T342 PolarHBondContact O-OG1 3.13Å; K339-T342 PolarHBondContact O-N 2.99Å; S340-T342 VanDerWaalsContact C-N 3.29Å; S340-T342 PolarHBondContact O-N 3.47Å; T342-D344 VanDerWaalsContact C-N 3.35Å; T342-D344 PolarHBondContact O-N 2.91Å; T342-E345 PolarHBondContact O-N 3.1Å; T342-V346 VanDerWaalsContact O-CG2 3.31Å; T342-V346 WeakPolarHBondContact O-CG2 3.39Å; T342-V346 PolarHBondContact O-N 3.48Å
343Y98Very high95.1Very high41 Ų4158.1 Ų58.116%0.16131%0.312CS..Hα-helixtrans-60.5-44.5178-175.1-102.5000111.7T92 L97 F100 K339 S340 E345 V346 V347T92-Y343 HydrophobicContact CG2-CE2 4.49Å; L97-Y343 HydrophobicContact CB-CD1 4.34Å; L97-Y343 HydrophobicContact CB-CE1 4.46Å; L97-Y343 HydrophobicContact CD1-CD1 4.37Å; L97-Y343 HydrophobicContact CD1-CG 3.98Å; F100-Y343 HydrophobicContact CB-CD2 3.93Å; F100-Y343 HydrophobicContact CB-CE2 4.35Å; F100-Y343 AromaticContact CD1-CD2 3.85Å; F100-Y343 HydrophobicContact CD1-CD2 3.85Å; F100-Y343 HydrophobicContact CD1-CG 4.26Å; F100-Y343 AromaticContact CD2-CD2 3.85Å; F100-Y343 HydrophobicContact CD2-CD2 3.85Å; F100-Y343 HydrophobicContact CD2-CE2 4.46Å; F100-Y343 HydrophobicContact CE1-CD2 4.25Å; F100-Y343 HydrophobicContact CE2-CD2 4.26Å; F100-Y343 AromaticContact CG-CD2 3.63Å; F100-Y343 HydrophobicContact CG-CD2 3.63Å; F100-Y343 HydrophobicContact CG-CE2 4.39Å; F100-Y343 HydrophobicContact CG-CG 4.46Å; F100-Y343 HydrophobicContact CZ-CD2 4.44Å; K339-Y343 WeakPolarHBondContact O-CB 3.36Å; K339-Y343 PolarHBondContact O-N 3.35Å; S340-Y343 WeakPolarHBondContact O-CB 3.41Å; S340-Y343 PolarHBondContact O-N 2.97Å; S340-Y343 VanDerWaalsContact O-N 3.11Å; Y343-E345 VanDerWaalsContact C-N 3.32Å; Y343-E345 PolarHBondContact O-N 3.21Å; Y343-V346 WeakPolarHBondContact O-CB 3.45Å; Y343-V346 PolarHBondContact O-N 3.2Å; Y343-V346 VanDerWaalsContact O-N 3.16Å; Y343-V347 HydrophobicContact CD1-CG2 4.14Å; Y343-V347 HydrophobicContact CE1-CG2 3.78Å; Y343-V347 HydrophobicContact CE2-CG2 4.21Å; Y343-V347 WeakPolarHBondContact O-CG2 3.49Å; Y343-V347 PolarHBondContact O-N 2.93Å
344D97.6Very high93.8Very high88 Ų8862.4 Ų62.447%0.47133%0.334SS..Hα-helixtrans-61.5-40177.3-65.4-24000111.7S340 L341 T342 V346 V347 S348S340-D344 PolarHBondContact O-N 3.48Å; L341-D344 PolarHBondContact O-N 3.38Å; T342-D344 VanDerWaalsContact C-N 3.35Å; T342-D344 PolarHBondContact O-N 2.91Å; D344-V346 VanDerWaalsContact C-N 3.35Å; D344-V346 PolarHBondContact O-N 2.8Å; D344-V347 PolarHBondContact O-N 3.39Å; D344-S348 VanDerWaalsContact O-CB 3.23Å; D344-S348 WeakPolarHBondContact O-CB 3.18Å; D344-S348 PolarHBondContact O-N 3.01Å; D344-S348 PolarHBondContact O-OG 3.22Å
345E96.9Very high91.8Very high36 Ų3661.3 Ų61.317%0.16833%0.332CS..Hα-helixtrans-65.5-34.9175.4-70.4-64.1163.300113.3Y70 L73 R74 K77 L341 T342 Y343 S348 F349Y70-E345 HydrophobicContact CD2-CG 4.26Å; Y70-E345 HydrophobicContact CE2-CG 3.52Å; L73-E345 HydrophobicContact CD2-CB 3.55Å; L73-E345 HydrophobicContact CG-CB 4.13Å; R74-E345 WeakPolarHBondContact CD-OE1 3.4Å; R74-E345 HydrophobicContact CG-CG 4.43Å; R74-E345 IonicContact NE-OE1 2.95Å; K77-E345 WeakPolarHBondContact CE-OE2 3.46Å; K77-E345 PolarHBondContact NZ-O 2.96Å; K77-E345 IonicContact NZ-OE2 3.53Å; K77-E345 PolarHBondContact NZ-OE2 2.98Å; L341-E345 WeakPolarHBondContact O-CG 3.4Å; L341-E345 PolarHBondContact O-N 3.39Å; L341-E345 VanDerWaalsContact O-N 3.13Å; T342-E345 PolarHBondContact O-N 3.1Å; Y343-E345 VanDerWaalsContact C-N 3.32Å; Y343-E345 PolarHBondContact O-N 3.21Å; E345-S348 WeakPolarHBondContact CA-OG 3.46Å; E345-S348 PolarHBondContact O-OG 2.82Å; E345-F349 PolarHBondContact O-N 3.14Å
346V96.9Very high89Confident13 Ų1367 Ų678%0.07936%0.363CS..Hα-helixtrans-68.3-48.7175.2172.80000110.2L73 V90 T92 F100 T342 Y343 D344 S348 F349L73-V346 HydrophobicContact CD2-CG2 3.76Å; V90-V346 HydrophobicContact CG2-CB 4.4Å; V90-V346 HydrophobicContact CG2-CG1 4.21Å; V90-V346 HydrophobicContact CG2-CG2 3.79Å; T92-V346 HydrophobicContact CG2-CG1 4.2Å; F100-V346 HydrophobicContact CZ-CG2 4.26Å; T342-V346 VanDerWaalsContact O-CG2 3.31Å; T342-V346 WeakPolarHBondContact O-CG2 3.39Å; T342-V346 PolarHBondContact O-N 3.48Å; Y343-V346 WeakPolarHBondContact O-CB 3.45Å; Y343-V346 PolarHBondContact O-N 3.2Å; Y343-V346 VanDerWaalsContact O-N 3.16Å; D344-V346 VanDerWaalsContact C-N 3.35Å; D344-V346 PolarHBondContact O-N 2.8Å; V346-S348 PolarHBondContact O-N 3.49Å; V346-F349 WeakPolarHBondContact O-CB 3.42Å; V346-F349 PolarHBondContact O-N 3.04Å
347V94.2Very high86.4Confident97 Ų9769 Ų6959%0.58837%0.372SS*.Hα-helixtrans-69.9-34.2-175.9174.90000112Y343 D344 F349Y343-V347 HydrophobicContact CD1-CG2 4.14Å; Y343-V347 HydrophobicContact CE1-CG2 3.78Å; Y343-V347 HydrophobicContact CE2-CG2 4.21Å; Y343-V347 WeakPolarHBondContact O-CG2 3.49Å; Y343-V347 PolarHBondContact O-N 2.93Å; D344-V347 PolarHBondContact O-N 3.39Å; V347-F349 VanDerWaalsContact C-N 3.27Å; V347-F349 PolarHBondContact O-N 3.44Å
348S94.1Very high83.8Confident69 Ų6970 Ų7048%0.48338%0.378SS..THydrogen-bonded Turntrans-81.40.9178.661.70000114.2K77 D344 E345 V346 E350K77-S348 PolarHBondContact NZ-OG 3.27Å; D344-S348 VanDerWaalsContact O-CB 3.23Å; D344-S348 WeakPolarHBondContact O-CB 3.18Å; D344-S348 PolarHBondContact O-N 3.01Å; D344-S348 PolarHBondContact O-OG 3.22Å; E345-S348 WeakPolarHBondContact CA-OG 3.46Å; E345-S348 PolarHBondContact O-OG 2.82Å; V346-S348 PolarHBondContact O-N 3.49Å; S348-E350 PolarHBondContact O-N 3.46Å
349F94.8Very high80.5Confident22 Ų2279 Ų7910%0.09642%0.421CS..  trans-65.6128.7-176.5-178.4-103.6000112.4K77 L87 V90 E345 V346 V347 P351K77-F349 HydrophobicContact CD-CD2 4.1Å; K77-F349 HydrophobicContact CG-CD2 3.94Å; K77-F349 HydrophobicContact CG-CE2 4.19Å; L87-F349 HydrophobicContact CB-CE2 4.17Å; L87-F349 HydrophobicContact CB-CZ 4.36Å; L87-F349 HydrophobicContact CD2-CD2 3.99Å; L87-F349 HydrophobicContact CD2-CE2 3.64Å; L87-F349 HydrophobicContact CD2-CZ 4.22Å; L87-F349 HydrophobicContact CG-CE2 4Å; L87-F349 HydrophobicContact CG-CZ 4.12Å; V90-F349 HydrophobicContact CG1-CB 3.45Å; V90-F349 VanDerWaalsContact CG1-CB 3.45Å; V90-F349 HydrophobicContact CG1-CD1 3.79Å; V90-F349 HydrophobicContact CG1-CD2 3.8Å; V90-F349 HydrophobicContact CG1-CG 3.38Å; E345-F349 PolarHBondContact O-N 3.14Å; V346-F349 WeakPolarHBondContact O-CB 3.42Å; V346-F349 PolarHBondContact O-N 3.04Å; V347-F349 VanDerWaalsContact C-N 3.27Å; V347-F349 PolarHBondContact O-N 3.44Å; F349-P351 HydrophobicContact CD1-CG 4.23Å; F349-P351 VanDerWaalsContact CE1-CA 3.49Å; F349-P351 HydrophobicContact CE1-CB 4.07Å; F349-P351 HydrophobicContact CE1-CG 3.89Å
350E91.8Very high77.3Confident161 Ų16187.2 Ų87.275%0.75248%0.48SS*.  trans-109.2116170.4-65.7-170166.500108.4S348S348-E350 PolarHBondContact O-N 3.46Å
351P88.8Confident76.2Confident49 Ų4989.7 Ų89.732%0.31849%0.49SS..PPolyproline II helixtrans-57.9147.2175.9-23.833000111.2F349F349-P351 HydrophobicContact CD1-CG 4.23Å; F349-P351 VanDerWaalsContact CE1-CA 3.49Å; F349-P351 HydrophobicContact CE1-CB 4.07Å; F349-P351 HydrophobicContact CE1-CG 3.89Å
352P85.8Confident75.1Confident60 Ų6092.4 Ų92.439%0.3951%0.506SS..PPolyproline II helixtrans-57.3155.7171.326.2-33.5000110.5L88L88-P352 HydrophobicContact CD2-CG 4.17Å
353P81.8Confident73.8Confident94 Ų9497.5 Ų97.561%0.6153%0.534SS*.PPolyproline II helixtrans-51.4144.9168.7-19.530.9000109.9D355P353-D355 WeakPolarHBondContact CB-OD1 3.48Å; P353-D355 PolarHBondContact O-N 2.97Å
354L68.4Low72.4Confident109 Ų109100.8 Ų100.857%0.57156%0.556SS**  trans-76.877.8162.2-66.5166.7000105.4T47T47-L354 HydrophobicContact CG2-CD2 3.34Å
355D54.4Low70.8Confident99 Ų99101.6 Ų101.653%0.52956%0.561SS.*  trans-70.1143.8179.1-77.8-32.2000110.1P353 E357P353-D355 WeakPolarHBondContact CB-OD1 3.48Å; P353-D355 PolarHBondContact O-N 2.97Å; D355-E357 HydrophobicContact CB-CG 4.4Å; D355-E357 PolarHBondContact O-N 3.43Å
356D40.2Very low69.1Low165 Ų165106 Ų10688%0.88259%0.587SS**SBendtrans-63.626.2176.4-71.5-44.9000113.3M358D356-M358 PolarHBondContact O-N 2.63Å
357E41.9Very low67.1Low161 Ų161112.6 Ų112.675%0.75262%0.623SS**THydrogen-bonded Turntrans-71.312.6171.9-68.5-174.7170.700112.3D355D355-E357 HydrophobicContact CB-CG 4.4Å; D355-E357 PolarHBondContact O-N 3.43Å
358M44.6Very low65Low112 Ų112113.8 Ų113.855%0.55263%0.626SS**THydrogen-bonded Turntrans-109.414.3-169.6-66.3-171.958.900114.3L49 D356L49-M358 HydrophobicContact CD1-SD 4.3Å; L49-M358 HydrophobicContact CD2-CE 3.42Å; L49-M358 VanDerWaalsContact CD2-CE 3.42Å; L49-M358 HydrophobicContact CD2-SD 4.1Å; L49-M358 HydrophobicContact CG-CE 3.98Å; L49-M358 HydrophobicContact CG-SD 4.33Å; D356-M358 PolarHBondContact O-N 2.63Å
359E28.7Very low62.6Low192 Ų192117.6 Ų117.690%0.89764%0.638SS**  trans-134.874.6165.2-74.3-168.1172.200111.1
360S29.4Very low59.6Low187 Ų187126.3 Ų126.3100%1.30869%0.687SS**  trans-148.20154.262.60000111.8

Retrieved 360 of 360 residues in 72.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).