A0A077Z6X1_TRITR Loading...

Chloride intracellular channel exc 4

AlphaFold DB , UniProt , Accession A0A077Z6X1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 288 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.9Very low42.5Very low240 Ų240155.1 Ų155.1100%1.18274%0.74SS**  081.60-82.9177.9174.100106.1
2D40.2Very low42.6Very low119 Ų119147.2 Ų147.264%0.63672%0.72SS**  trans-82.2133.1-175.7-72.6-45000109.9C4D2-C4 PolarHBondContact O-N 3.04Å; D2-C4 VanDerWaalsContact O-N 3.17Å
3R39.8Very low42.1Very low235 Ų235145.8 Ų145.889%0.88773%0.734SS**  trans-71.8101.9165.1-92.3-177.9170.5-169.1-3.2106.5D5R3-D5 PolarHBondContact O-N 3.28Å
4C41.5Very low41.9Very low53 Ų53139.4 Ų139.436%0.35872%0.723SS.*  trans-58.1125.6157.1-81.90000107.9D2 R6 E61D2-C4 PolarHBondContact O-N 3.04Å; D2-C4 VanDerWaalsContact O-N 3.17Å; C4-R6 PolarHBondContact O-N 3.09Å; C4-E61 PolarHBondContact SG-OE1 2.81Å
5D47.4Very low42.2Very low133 Ų133134.8 Ų134.871%0.71172%0.723SS**  trans-6790.2161.7-74.8-35000107.4R3 V7R3-D5 PolarHBondContact O-N 3.28Å; D5-V7 PolarHBondContact O-N 3.18Å; D5-V7 VanDerWaalsContact O-N 3.08Å
6R41.6Very low42.5Very low219 Ų219140.1 Ų140.183%0.82674%0.742SS**  trans-68.5103.7173.4-72-172.7-164.8-170.22.9108.4C4 K8C4-R6 PolarHBondContact O-N 3.09Å; R6-K8 PolarHBondContact O-N 2.77Å
7V52.6Low44Very low72 Ų72135 Ų13544%0.43673%0.731SS.*  trans-61.3127.4159.4-178.70000107.4D5 Y53D5-V7 PolarHBondContact O-N 3.18Å; D5-V7 VanDerWaalsContact O-N 3.08Å; V7-Y53 HydrophobicContact CG1-CE1 3.9Å; V7-Y53 WeakPolarHBondContact CG1-OH 3.44Å
8K47.5Very low46.2Very low177 Ų177134.7 Ų134.777%0.7773%0.734SS**  trans-62132-171.4-65.1176.1178.9175.90111.4R6 N10 Y53R6-K8 PolarHBondContact O-N 2.77Å; K8-N10 PolarHBondContact O-N 3.46Å; K8-N10 VanDerWaalsContact O-N 3.14Å; K8-Y53 PolarHBondContact O-OH 3.2Å
9E42.4Very low48.6Very low172 Ų172130.3 Ų130.380%0.80471%0.707SS**  trans-58.4111.2169.8-71.6176.8154.900110.6
10N45.7Very low50.9Low126 Ų126124.8 Ų124.867%0.67468%0.678SS**  trans-85.5105.3166-97.3-12.5000109.5K8 A12K8-N10 PolarHBondContact O-N 3.46Å; K8-N10 VanDerWaalsContact O-N 3.14Å; N10-A12 PolarHBondContact O-N 3.03Å
11N34.1Very low53.1Low160 Ų160120.5 Ų120.586%0.85665%0.653SS**  trans-77.793.6167.9-82.5-29.1000109.9
12A44Very low56.1Low60 Ų60109.1 Ų109.150%0.49660%0.597SS.*  trans-135.4124.216300000110.4N10 N56N10-A12 PolarHBondContact O-N 3.03Å; A12-N56 PolarHBondContact O-ND2 3.23Å
13S35.3Very low58.9Low130 Ų130104.7 Ų104.791%0.90957%0.573SS**  trans-70.2124.5-174.8430000113.4
14G39.5Very low61.7Low56 Ų5693.5 Ų93.558%0.57753%0.53SS*.  trans-169.5110.116900000110.9
15G46Very low64.4Low70 Ų7092.3 Ų92.372%0.72252%0.519SS*.  trans82.1114.9175.100000115.1G17G15-G17 PolarHBondContact O-N 2.87Å
16E48.3Very low66.8Low219 Ų21986.2 Ų86.2100%1.02349%0.487SS*.SBendtrans-71.753178.6-69-178.1147.300113.6
17G67Low69.5Low54 Ų5478.9 Ų78.956%0.55746%0.461SS*.SBendtrans-123.2142.2167.200000110.1G15 K19G15-G17 PolarHBondContact O-N 2.87Å; G17-K19 PolarHBondContact O-N 3.36Å; G17-K19 VanDerWaalsContact O-N 3.09Å
18V82.9Confident71.6Confident130 Ų13075.8 Ų75.879%0.78844%0.443SS*.  trans-65.5112173.6-179.50000108.3
19K91.8Very high73.9Confident50 Ų5067.5 Ų67.522%0.21741%0.407CS..PPolyproline II helixtrans-59.5133.3177.7-65.5172.5-175.2169.50110.1G17 F21 N56G17-K19 PolarHBondContact O-N 3.36Å; G17-K19 VanDerWaalsContact O-N 3.09Å; K19-F21 PolarHBondContact O-N 3.38Å; K19-N56 WeakPolarHBondContact CD-O 3.41Å; K19-N56 WeakPolarHBondContact CE-O 3.44Å; K19-N56 PolarHBondContact NZ-ND2 3.44Å; K19-N56 PolarHBondContact NZ-O 3.19Å; K19-N56 PolarHBondContact NZ-OD1 2.99Å
20P94.9Very high76.3Confident21 Ų2161 Ų6114%0.13639%0.387CS..PPolyproline II helixtrans-53.7134.5175.9-23.832.5000111.2V58 R59P20-V58 HydrophobicContact CB-CG1 4.32Å; P20-V58 HydrophobicContact CG-CG1 4.42Å; P20-R59 PolarHBondContact O-N 3.1Å
21F97.4Very high78.5Confident35 Ų3556.6 Ų56.615%0.15436%0.362CS..EExtended strand (participates in β ladder)trans-100.3124171.1-179.5-134.2000110.8K19 E23 R59 E61 P87K19-F21 PolarHBondContact O-N 3.38Å; F21-E23 HydrophobicContact CE1-CG 3.76Å; F21-E23 WeakPolarHBondContact CE1-OE1 3.49Å; F21-E23 HydrophobicContact CE2-CG 4.33Å; F21-E23 HydrophobicContact CZ-CG 3.64Å; F21-R59 HydrophobicContact CB-CB 4.48Å; F21-R59 HydrophobicContact CD2-CB 3.75Å; F21-E61 HydrophobicContact CE2-CB 3.96Å; F21-E61 HydrophobicContact CZ-CB 4.09Å; F21-P87 HydrophobicContact CD1-CB 4.38Å; F21-P87 HydrophobicContact CD1-CG 3.83Å; F21-P87 HydrophobicContact CE1-CG 3.87Å
22L98.3Very high81.3Confident0 Ų052 Ų520%034%0.338CS..EExtended strand (participates in β ladder)trans-122.5118.7-172.4-58.5177.7000109L49 V58 R59 V60 E61 L84 E86 I106L22-L49 HydrophobicContact CB-CD2 4.39Å; L22-L49 HydrophobicContact CD1-CD2 3.38Å; L22-L49 HydrophobicContact CG-CD2 4.47Å; L22-V58 HydrophobicContact CD1-CB 4.05Å; L22-V58 HydrophobicContact CD1-CG1 3.9Å; L22-V58 HydrophobicContact CD1-CG2 4.38Å; L22-R59 PolarHBondContact N-O 3Å; L22-V60 CarbonylContact O-C 3.37Å; L22-V60 VanDerWaalsContact O-CA 3.29Å; L22-V60 WeakPolarHBondContact O-CA 3.05Å; L22-E61 PolarHBondContact O-N 2.78Å; L22-L84 HydrophobicContact CB-CD1 4.04Å; L22-L84 HydrophobicContact CD2-CD2 4.43Å; L22-E86 HydrophobicContact CD2-CG 3.27Å; L22-I106 HydrophobicContact CD1-CD1 3.78Å; L22-I106 HydrophobicContact CD2-CD1 4.46Å
23E98.4Very high83.5Confident27 Ų2752.8 Ų52.813%0.12633%0.334CS..EExtended strand (participates in β ladder)trans-101117.5170.2-57.7-170161.400109.4F21 F25 E61 K63 L84 V85 P87F21-E23 HydrophobicContact CE1-CG 3.76Å; F21-E23 WeakPolarHBondContact CE1-OE1 3.49Å; F21-E23 HydrophobicContact CE2-CG 4.33Å; F21-E23 HydrophobicContact CZ-CG 3.64Å; E23-F25 HydrophobicContact CB-CE2 4.07Å; E23-E61 CarbonylContact C-O 3.59Å; E23-E61 WeakPolarHBondContact CA-O 3.39Å; E23-E61 HydrophobicContact CG-CB 4.47Å; E23-K63 IonicContact OE1-NZ 3.55Å; E23-K63 PolarHBondContact OE1-NZ 2.87Å; E23-K63 IonicContact OE2-NZ 3.54Å; E23-K63 PolarHBondContact OE2-NZ 3.3Å; E23-L84 CarbonylContact O-C 3.58Å; E23-L84 WeakPolarHBondContact O-CA 3.26Å; E23-V85 HydrophobicContact CB-CB 4.31Å; E23-V85 PolarHBondContact N-O 3.22Å; E23-V85 PolarHBondContact O-N 3.12Å; E23-P87 HydrophobicContact CG-CG 3.92Å
24L98.6Very high86.2Confident0 Ų055 Ų550%032%0.322CS..EExtended strand (participates in β ladder)trans-99.8115.7174.1-177.271.1000109.9V26 F45 W46 L49 E61 V62 K63 P82 L84L24-V26 HydrophobicContact CD2-CG1 3.68Å; L24-V26 HydrophobicContact CG-CG1 3.79Å; L24-F45 HydrophobicContact CD1-CB 4.38Å; L24-W46 HydrophobicContact CD2-CB 3.65Å; L24-W46 HydrophobicContact CD2-CG 4.24Å; L24-L49 HydrophobicContact CB-CD1 3.88Å; L24-L49 HydrophobicContact CD1-CD1 4.32Å; L24-L49 HydrophobicContact CD2-CD1 4.08Å; L24-L49 HydrophobicContact CG-CD1 4.31Å; L24-E61 PolarHBondContact N-O 3.4Å; L24-V62 HydrophobicContact CB-CG2 4.36Å; L24-V62 CarbonylContact O-C 3.48Å; L24-V62 WeakPolarHBondContact O-CA 3.42Å; L24-K63 PolarHBondContact O-N 3.15Å; L24-P82 HydrophobicContact CD1-CB 4.08Å; L24-L84 HydrophobicContact CB-CD1 4.45Å; L24-L84 HydrophobicContact CD1-CD1 4.41Å
25F98.2Very high88.8Confident28 Ų2854.2 Ų54.212%0.12330%0.302CS..EExtended strand (participates in β ladder)trans-87.6122.7170.7-66.4-96.7000109.4E23 K63 V65 F76 P82 I83 V85E23-F25 HydrophobicContact CB-CE2 4.07Å; F25-K63 CarbonylContact C-O 3.59Å; F25-K63 WeakPolarHBondContact CA-O 3.37Å; F25-K63 HydrophobicContact CD1-CB 3.82Å; F25-K63 HydrophobicContact CD1-CD 4.44Å; F25-K63 HydrophobicContact CE1-CB 3.93Å; F25-K63 HydrophobicContact CE1-CD 3.71Å; F25-K63 HydrophobicContact CE1-CG 4.42Å; F25-K63 HydrophobicContact CG-CB 4.46Å; F25-K63 HydrophobicContact CZ-CD 3.76Å; F25-V65 HydrophobicContact CB-CG1 4.48Å; F25-V65 HydrophobicContact CB-CG2 4.42Å; F25-V65 HydrophobicContact CD1-CG1 3.6Å; F25-V65 HydrophobicContact CE1-CG1 4.37Å; F25-F76 HydrophobicContact CD1-CE2 4.13Å; F25-F76 AromaticContact CD1-CZ 3.93Å; F25-F76 HydrophobicContact CD1-CZ 3.93Å; F25-F76 HydrophobicContact CD2-CE1 4.4Å; F25-F76 AromaticContact CD2-CZ 3.88Å; F25-F76 HydrophobicContact CD2-CZ 3.88Å; F25-F76 HydrophobicContact CE1-CE2 4.2Å; F25-F76 AromaticContact CE1-CZ 3.85Å; F25-F76 HydrophobicContact CE1-CZ 3.85Å; F25-F76 HydrophobicContact CE2-CE1 4.44Å; F25-F76 AromaticContact CE2-CZ 3.83Å; F25-F76 HydrophobicContact CE2-CZ 3.83Å; F25-F76 HydrophobicContact CG-CE2 4.41Å; F25-F76 AromaticContact CG-CZ 3.93Å; F25-F76 HydrophobicContact CG-CZ 3.93Å; F25-F76 AromaticContact CZ-CZ 3.81Å; F25-F76 HydrophobicContact CZ-CZ 3.81Å; F25-P82 WeakPolarHBondContact O-CA 3.21Å; F25-I83 HydrophobicContact CB-CB 4.22Å; F25-I83 PolarHBondContact N-O 3Å; F25-I83 PolarHBondContact O-N 2.91Å; F25-V85 HydrophobicContact CD2-CG2 4.1Å; F25-V85 HydrophobicContact CE2-CB 4.31Å; F25-V85 HydrophobicContact CE2-CG2 3.72Å
26V98.2Very high91.2Very high4 Ų452.2 Ų52.22%0.02427%0.274CS..EExtended strand (participates in β ladder)trans-117.6144.5-177.7-60.30000111L24 A28 I36 C42 W46 V62 K63 T64 V65L24-V26 HydrophobicContact CD2-CG1 3.68Å; L24-V26 HydrophobicContact CG-CG1 3.79Å; V26-A28 PolarHBondContact O-N 2.89Å; V26-I36 HydrophobicContact CG2-CG2 4.2Å; V26-C42 HydrophobicContact CB-CB 3.92Å; V26-C42 HydrophobicContact CG1-CB 3.79Å; V26-W46 HydrophobicContact CG1-CE3 4.5Å; V26-V62 HydrophobicContact CB-CG1 4.43Å; V26-V62 HydrophobicContact CG1-CG1 3.83Å; V26-V62 HydrophobicContact CG2-CG1 3.69Å; V26-K63 PolarHBondContact N-O 2.72Å; V26-T64 HydrophobicContact CG2-CG2 3.96Å; V26-T64 WeakPolarHBondContact O-CA 3.5Å; V26-V65 WeakPolarHBondContact O-CG2 3.38Å; V26-V65 PolarHBondContact O-N 3.34Å
27K97.7Very high93.6Very high66 Ų6642.4 Ų42.429%0.28723%0.232SC..EExtended strand (participates in β ladder)trans-60.3126.8178.3-174.8177.4178.2-174.40109.2G37 C39 V67 P81K27-G37 VanDerWaalsContact O-CA 3.23Å; K27-G37 WeakPolarHBondContact O-CA 3.32Å; K27-G37 PolarHBondContact O-N 3.28Å; K27-C39 HydrophobicContact CB-CB 4.21Å; K27-V67 HydrophobicContact CG-CG1 4.08Å; K27-P81 HydrophobicContact CB-CB 4.15Å; K27-P81 HydrophobicContact CB-CG 4.27Å
28A97.4Very high95Very high7 Ų740 Ų406%0.05821%0.206CC..BIsolated β-bridgetrans-70.6160.7174.100000111.8V26 N33 R35 V65V26-A28 PolarHBondContact O-N 2.89Å; A28-N33 HydrophobicContact CB-CB 4.47Å; A28-N33 WeakPolarHBondContact CB-O 3.44Å; A28-R35 CarbonylContact C-O 3.59Å; A28-R35 WeakPolarHBondContact CA-O 3.32Å; A28-V65 VanDerWaalsContact CB-O 3.31Å; A28-V65 WeakPolarHBondContact CB-O 3.23Å; A28-V65 PolarHBondContact N-O 2.92Å
29S96.1Very high95.8Very high3 Ų334.7 Ų34.72%0.02118%0.175CC..PPolyproline II helixtrans-61.3142.4169.6166.80000111I31 D32 N33 R35 D244S29-I31 PolarHBondContact O-N 2.76Å; S29-I31 PolarHBondContact OG-N 3.4Å; S29-D32 WeakPolarHBondContact CB-O 3.39Å; S29-D32 CarbonylContact O-C 3.59Å; S29-D32 PolarHBondContact OG-N 2.88Å; S29-N33 PolarHBondContact O-OD1 3.14Å; S29-R35 PolarHBondContact N-O 3.27Å; S29-D244 WeakPolarHBondContact CB-OD1 3.45Å; S29-D244 PolarHBondContact OG-OD1 3.11Å
30G92.4Very high96.1Very high36 Ų3633 Ų3337%0.37117%0.169SC..SBendtrans-79-4.6170.800000114.1Y247G30-Y247 VanDerWaalsContact CA-CE1 3.46Å
31I92.7Very high96.3Very high32 Ų3236.5 Ų36.516%0.16418%0.182CC..SBendtrans-89.2-50.7172.2-63.5167.8000110.4S29 Q243 Y247 Y262S29-I31 PolarHBondContact O-N 2.76Å; S29-I31 PolarHBondContact OG-N 3.4Å; I31-Q243 HydrophobicContact CD1-CB 4.12Å; I31-Y247 HydrophobicContact CD1-CD2 3.98Å; I31-Y247 HydrophobicContact CD1-CG 3.97Å; I31-Y247 HydrophobicContact CG1-CD1 4.39Å; I31-Y247 HydrophobicContact CG1-CD2 3.49Å; I31-Y247 VanDerWaalsContact CG1-CD2 3.49Å; I31-Y247 HydrophobicContact CG1-CE2 4.07Å; I31-Y247 HydrophobicContact CG1-CG 3.71Å; I31-Y262 HydrophobicContact CB-CD1 4.42Å; I31-Y262 HydrophobicContact CG1-CD1 4.34Å; I31-Y262 HydrophobicContact CG1-CE1 4.5Å; I31-Y262 HydrophobicContact CG2-CD1 4.05Å
32D91.6Very high96.3Very high65 Ų6535 Ų3535%0.34818%0.176SC..  trans-139.2113.5179.3179-2.5000109.3S29 R34 R35S29-D32 WeakPolarHBondContact CB-O 3.39Å; S29-D32 CarbonylContact O-C 3.59Å; S29-D32 PolarHBondContact OG-N 2.88Å; D32-R34 PolarHBondContact O-N 3.33Å; D32-R34 WeakPolarHBondContact OD1-CB 3.27Å; D32-R34 PolarHBondContact OD1-N 3.1Å; D32-R35 HydrophobicContact CB-CG 4.13Å; D32-R35 PolarHBondContact O-N 2.98Å
33N91.2Very high96.3Very high75 Ų7535.2 Ų35.240%0.40118%0.177SC..THydrogen-bonded Turntrans-61.9-10.8-176.6-67.9-38.3000114A28 S29 N66A28-N33 HydrophobicContact CB-CB 4.47Å; A28-N33 WeakPolarHBondContact CB-O 3.44Å; S29-N33 PolarHBondContact O-OD1 3.14Å; N33-N66 HydrophobicContact CB-CB 4.44Å; N33-N66 PolarHBondContact ND2-ND2 2.88Å; N33-N66 VanDerWaalsContact ND2-ND2 3.11Å; N33-N66 PolarHBondContact OD1-ND2 2.94Å
34R90.7Very high96.4Very high176 Ų17634.6 Ų34.666%0.66417%0.174SC*.THydrogen-bonded Turntrans-80.9-22.7173.7-62.9175.4178169.92.3112.7D32D32-R34 PolarHBondContact O-N 3.33Å; D32-R34 WeakPolarHBondContact OD1-CB 3.27Å; D32-R34 PolarHBondContact OD1-N 3.1Å
35R94.7Very high96.4Very high40 Ų4034.7 Ų34.715%0.15117%0.174CC..SBendtrans-86.8153.1178.8-56.4-164-54.7-137.62.1110.8A28 S29 D32 D244A28-R35 CarbonylContact C-O 3.59Å; A28-R35 WeakPolarHBondContact CA-O 3.32Å; S29-R35 PolarHBondContact N-O 3.27Å; D32-R35 HydrophobicContact CB-CG 4.13Å; D32-R35 PolarHBondContact O-N 2.98Å; R35-D244 IonicContact CZ-OD1 3.75Å; R35-D244 IonicContact CZ-OD2 2.73Å; R35-D244 IonicContact NE-OD1 3.3Å; R35-D244 PolarHBondContact NE-OD1 3.37Å; R35-D244 IonicContact NE-OD2 2.93Å; R35-D244 PolarHBondContact NE-OD2 3.26Å; R35-D244 IonicContact NH2-OD1 3.67Å; R35-D244 PolarHBondContact NH2-OD1 3.24Å; R35-D244 IonicContact NH2-OD2 3.58Å
36I96.9Very high96.4Very high28 Ų2834.8 Ų34.814%0.14417%0.174CC..BIsolated β-bridgetrans-68138.3169.758.5167.5000109.6V26 W46 T64 S238 C239 P240V26-I36 HydrophobicContact CG2-CG2 4.2Å; I36-W46 HydrophobicContact CB-CZ3 4.28Å; I36-W46 HydrophobicContact CD1-CH2 4.18Å; I36-W46 HydrophobicContact CD1-CZ3 3.76Å; I36-W46 HydrophobicContact CG2-CH2 3.94Å; I36-W46 HydrophobicContact CG2-CZ3 3.67Å; I36-T64 HydrophobicContact CB-CG2 4.3Å; I36-T64 HydrophobicContact CG2-CG2 3.47Å; I36-T64 VanDerWaalsContact CG2-CG2 3.47Å; I36-S238 WeakPolarHBondContact CD1-O 3.3Å; I36-C239 WeakPolarHBondContact CD1-O 3.5Å; I36-P240 HydrophobicContact CD1-CB 4.41Å; I36-P240 HydrophobicContact CG1-CB 4.35Å
37G97.6Very high96.4Very high13 Ų1334.6 Ų34.613%0.13417%0.172CC..PPolyproline II helixtrans-88.5169.3174.800000111.8K27 C39K27-G37 VanDerWaalsContact O-CA 3.23Å; K27-G37 WeakPolarHBondContact O-CA 3.32Å; K27-G37 PolarHBondContact O-N 3.28Å; G37-C39 VanDerWaalsContact C-N 3.31Å; G37-C39 PolarHBondContact O-N 2.83Å
38A98.2Very high96.5Very high3 Ų331.4 Ų31.43%0.02516%0.159CC..  trans-91.145.6-17600000113.5L40 H202 P240 I245 H248A38-L40 PolarHBondContact O-N 3.06Å; A38-H202 PolarHBondContact O-CE1 3.46Å; A38-P240 HydrophobicContact CB-CB 4.24Å; A38-P240 HydrophobicContact CB-CG 3.87Å; A38-I245 HydrophobicContact CB-CB 4.31Å; A38-I245 HydrophobicContact CB-CG1 3.92Å; A38-H248 HydrophobicContact CB-CB 3.82Å; A38-H248 PolarHBondContact O-CE1 3.46Å; A38-H248 VanDerWaalsContact O-CE1 3.28Å; A38-H248 PolarHBondContact O-ND1 3.45Å; A38-H248 PolarHBondContact O-NE2 3.08Å
39C98.2Very high96.5Very high20 Ų2031.1 Ų31.114%0.13516%0.156CC..  trans-79.8116.2173.2179.90000109.8K27 G37 F41 C42 Q43K27-C39 HydrophobicContact CB-CB 4.21Å; G37-C39 VanDerWaalsContact C-N 3.31Å; G37-C39 PolarHBondContact O-N 2.83Å; C39-F41 PolarHBondContact O-N 2.72Å; C39-C42 HydrophobicContact CB-CB 3.84Å; C39-C42 VanDerWaalsContact CB-SG 3.55Å; C39-C42 WeakPolarHBondContact O-CB 3.17Å; C39-C42 PolarHBondContact O-N 2.83Å; C39-C42 VanDerWaalsContact O-N 3.07Å; C39-Q43 PolarHBondContact O-N 3.11Å; C39-Q43 VanDerWaalsContact O-N 3.07Å
40L98.5Very high96.6Very high14 Ų1432.7 Ų32.77%0.07316%0.162CC..Hα-helixtrans-57.5-44.5-178.2-72.8173.7000112.9A38 C42 Q43 E44 Y129 P198 R199A38-L40 PolarHBondContact O-N 3.06Å; L40-C42 VanDerWaalsContact C-N 3.29Å; L40-C42 PolarHBondContact O-N 3.33Å; L40-Q43 PolarHBondContact O-N 3.44Å; L40-E44 WeakPolarHBondContact O-CB 3.35Å; L40-E44 PolarHBondContact O-N 3.4Å; L40-Y129 HydrophobicContact CD1-CD1 4.29Å; L40-Y129 HydrophobicContact CD1-CD2 4.42Å; L40-Y129 HydrophobicContact CD1-CE1 3.57Å; L40-Y129 HydrophobicContact CD1-CE2 3.73Å; L40-Y129 VanDerWaalsContact CD1-OH 3.3Å; L40-Y129 WeakPolarHBondContact CD1-OH 3.34Å; L40-P198 HydrophobicContact CD2-CB 3.61Å; L40-R199 HydrophobicContact CD1-CG 3.81Å; L40-R199 HydrophobicContact CD2-CG 4.04Å
41F98.4Very high96.9Very high94 Ų9431.8 Ų31.841%0.41215%0.151SC..Hα-helixtrans-65.1-32.2177.4-63.3-63.8000112.8C39 F45 P82 N96C39-F41 PolarHBondContact O-N 2.72Å; F41-F45 WeakPolarHBondContact O-CD2 3.24Å; F41-F45 PolarHBondContact O-N 2.73Å; F41-P82 HydrophobicContact CB-CG 3.88Å; F41-N96 VanDerWaalsContact CD1-ND2 3.27Å; F41-N96 WeakPolarHBondContact CD1-ND2 3.33Å; F41-N96 WeakPolarHBondContact CG-ND2 3.42Å
42C98.7Very high97.1Very high4 Ų430.2 Ų30.23%0.02714%0.143CC..Hα-helixtrans-65.8-43.7173.3-66.90000111.2V26 C39 L40 W46V26-C42 HydrophobicContact CB-CB 3.92Å; V26-C42 HydrophobicContact CG1-CB 3.79Å; C39-C42 HydrophobicContact CB-CB 3.84Å; C39-C42 VanDerWaalsContact CB-SG 3.55Å; C39-C42 WeakPolarHBondContact O-CB 3.17Å; C39-C42 PolarHBondContact O-N 2.83Å; C39-C42 VanDerWaalsContact O-N 3.07Å; L40-C42 VanDerWaalsContact C-N 3.29Å; L40-C42 PolarHBondContact O-N 3.33Å; C42-W46 VanDerWaalsContact O-CB 3.25Å; C42-W46 WeakPolarHBondContact O-CB 3.3Å; C42-W46 PolarHBondContact O-N 3.4Å
43Q98.7Very high97.4Very high5 Ų529.2 Ų29.22%0.02313%0.134CC..Hα-helixtrans-67.6-40.9178.6-166.1174.8-1.300111.5C39 L40 W46 M47 P198 S238C39-Q43 PolarHBondContact O-N 3.11Å; C39-Q43 VanDerWaalsContact O-N 3.07Å; L40-Q43 PolarHBondContact O-N 3.44Å; Q43-W46 PolarHBondContact O-N 3.28Å; Q43-M47 HydrophobicContact CG-CG 4.43Å; Q43-M47 HydrophobicContact CG-SD 4.32Å; Q43-M47 WeakPolarHBondContact O-CB 3.35Å; Q43-M47 VanDerWaalsContact O-CG 3.3Å; Q43-M47 WeakPolarHBondContact O-CG 3.2Å; Q43-M47 PolarHBondContact O-N 3.39Å; Q43-P198 HydrophobicContact CB-CB 4.43Å; Q43-P198 HydrophobicContact CB-CG 4.21Å; Q43-P198 HydrophobicContact CG-CB 4.3Å; Q43-P198 HydrophobicContact CG-CG 3.8Å; Q43-S238 WeakPolarHBondContact CG-OG 3.4Å
44E98.7Very high97.6Very high14 Ų1431.4 Ų31.47%0.06514%0.142CC..Hα-helixtrans-54.7-58.5177-175177.4139.900111.5L40 W46 M47 E48 C194 R199L40-E44 WeakPolarHBondContact O-CB 3.35Å; L40-E44 PolarHBondContact O-N 3.4Å; E44-W46 VanDerWaalsContact C-N 3.32Å; E44-W46 PolarHBondContact O-N 3.39Å; E44-M47 PolarHBondContact O-N 2.94Å; E44-E48 WeakPolarHBondContact O-CG 3.38Å; E44-E48 PolarHBondContact O-N 3.49Å; E44-E48 VanDerWaalsContact O-N 3.08Å; E44-C194 WeakPolarHBondContact CA-O 3.49Å; E44-C194 HydrophobicContact CG-CB 4.26Å; E44-R199 IonicContact OE2-NH1 3.51Å; E44-R199 IonicContact OE2-NH2 2.86Å
45F98.8Very high97.7Very high2 Ų227.3 Ų27.31%0.00913%0.133CC..Hα-helixtrans-68.3-29.9178.9-62-45.4000113.3L24 F41 E48 L49 P82 N96 I99 E100 I103L24-F45 HydrophobicContact CD1-CB 4.38Å; F41-F45 WeakPolarHBondContact O-CD2 3.24Å; F41-F45 PolarHBondContact O-N 2.73Å; F45-E48 WeakPolarHBondContact CD1-OE2 3.33Å; F45-E48 PolarHBondContact O-N 3.14Å; F45-L49 WeakPolarHBondContact O-CB 3.46Å; F45-L49 WeakPolarHBondContact O-CG 3.24Å; F45-L49 PolarHBondContact O-N 3.02Å; F45-P82 HydrophobicContact CD2-CB 3.8Å; F45-P82 HydrophobicContact CD2-CG 3.44Å; F45-P82 VanDerWaalsContact CD2-CG 3.44Å; F45-P82 HydrophobicContact CE2-CB 4.39Å; F45-P82 HydrophobicContact CE2-CG 3.58Å; F45-N96 HydrophobicContact CE2-CB 3.97Å; F45-N96 HydrophobicContact CZ-CB 3.88Å; F45-N96 WeakPolarHBondContact CZ-O 3.24Å; F45-I99 HydrophobicContact CB-CG2 4.13Å; F45-I99 HydrophobicContact CD1-CG2 3.78Å; F45-I99 HydrophobicContact CD2-CB 4.25Å; F45-I99 HydrophobicContact CD2-CD1 4.19Å; F45-I99 HydrophobicContact CD2-CG2 3.63Å; F45-I99 HydrophobicContact CE1-CB 4.42Å; F45-I99 HydrophobicContact CE1-CG2 4.06Å; F45-I99 HydrophobicContact CE2-CB 4.03Å; F45-I99 HydrophobicContact CE2-CD1 4.1Å; F45-I99 HydrophobicContact CE2-CG2 3.91Å; F45-I99 HydrophobicContact CG-CG2 3.57Å; F45-I99 HydrophobicContact CZ-CB 4.13Å; F45-I99 HydrophobicContact CZ-CG2 4.12Å; F45-E100 HydrophobicContact CE1-CB 3.93Å; F45-E100 HydrophobicContact CZ-CB 4.39Å; F45-I103 HydrophobicContact CB-CD1 4.19Å; F45-I103 HydrophobicContact CD1-CD1 3.91Å; F45-I103 HydrophobicContact CG-CD1 4.37Å
46W98.7Very high97.8Very high29 Ų2927.8 Ų27.811%0.1114%0.138CC..Hα-helixtrans-65.2-44173.1-170.3-4000110.9L24 V26 I36 C42 Q43 E44 E48 L49 Y50 V62 E237 S238L24-W46 HydrophobicContact CD2-CB 3.65Å; L24-W46 HydrophobicContact CD2-CG 4.24Å; V26-W46 HydrophobicContact CG1-CE3 4.5Å; I36-W46 HydrophobicContact CB-CZ3 4.28Å; I36-W46 HydrophobicContact CD1-CH2 4.18Å; I36-W46 HydrophobicContact CD1-CZ3 3.76Å; I36-W46 HydrophobicContact CG2-CH2 3.94Å; I36-W46 HydrophobicContact CG2-CZ3 3.67Å; C42-W46 VanDerWaalsContact O-CB 3.25Å; C42-W46 WeakPolarHBondContact O-CB 3.3Å; C42-W46 PolarHBondContact O-N 3.4Å; Q43-W46 PolarHBondContact O-N 3.28Å; E44-W46 VanDerWaalsContact C-N 3.32Å; E44-W46 PolarHBondContact O-N 3.39Å; W46-E48 VanDerWaalsContact C-N 3.32Å; W46-E48 PolarHBondContact O-N 3.1Å; W46-L49 PolarHBondContact O-N 3.41Å; W46-Y50 VanDerWaalsContact O-CB 3.3Å; W46-Y50 WeakPolarHBondContact O-CB 3.43Å; W46-Y50 PolarHBondContact O-N 3.41Å; W46-V62 HydrophobicContact CD2-CG1 4.15Å; W46-V62 HydrophobicContact CD2-CG2 4.01Å; W46-V62 HydrophobicContact CE3-CG1 4.06Å; W46-V62 HydrophobicContact CG-CG2 4.2Å; W46-V62 HydrophobicContact CH2-CG1 4.06Å; W46-V62 HydrophobicContact CZ2-CB 4.17Å; W46-V62 HydrophobicContact CZ2-CG1 4.14Å; W46-V62 HydrophobicContact CZ2-CG2 4.05Å; W46-V62 HydrophobicContact CZ3-CG1 4.01Å; W46-E237 WeakPolarHBondContact CH2-O 3.48Å; W46-E237 WeakPolarHBondContact CZ2-O 3.46Å; W46-S238 VanDerWaalsContact CD2-CB 3.46Å
47M98.8Very high97.7Very high0 Ų028 Ų280%014%0.139CC..Hα-helixtrans-60.3-43.2176.7-73.2-178.961.900111.8Q43 E44 Y50 A51 M189 C194 M197 P198 A234 F235 S238Q43-M47 HydrophobicContact CG-CG 4.43Å; Q43-M47 HydrophobicContact CG-SD 4.32Å; Q43-M47 WeakPolarHBondContact O-CB 3.35Å; Q43-M47 VanDerWaalsContact O-CG 3.3Å; Q43-M47 WeakPolarHBondContact O-CG 3.2Å; Q43-M47 PolarHBondContact O-N 3.39Å; E44-M47 PolarHBondContact O-N 2.94Å; M47-Y50 PolarHBondContact O-N 3.15Å; M47-A51 PolarHBondContact O-N 3.48Å; M47-M189 HydrophobicContact CE-SD 3.85Å; M47-C194 HydrophobicContact CB-CB 3.88Å; M47-C194 VanDerWaalsContact CB-SG 3.57Å; M47-M197 HydrophobicContact CE-SD 4.1Å; M47-P198 HydrophobicContact SD-CG 3.78Å; M47-A234 HydrophobicContact CB-CB 4.24Å; M47-A234 HydrophobicContact CG-CB 4.32Å; M47-A234 WeakPolarHBondContact CG-O 3.43Å; M47-F235 HydrophobicContact CE-CB 3.92Å; M47-F235 HydrophobicContact CE-CD2 4.31Å; M47-F235 HydrophobicContact SD-CB 4.28Å; M47-F235 HydrophobicContact SD-CD2 4.08Å; M47-S238 VanDerWaalsContact CG-OG 3.26Å; M47-S238 WeakPolarHBondContact CG-OG 3.49Å
48E98.7Very high97.7Very high0 Ų027.5 Ų27.50%013%0.134CC..Hα-helixtrans-61.9-46.9175.8-70.1-179.4177.200112.7E44 F45 W46 Y50 A51 L52 I103 L114 M191 C194E44-E48 WeakPolarHBondContact O-CG 3.38Å; E44-E48 PolarHBondContact O-N 3.49Å; E44-E48 VanDerWaalsContact O-N 3.08Å; F45-E48 WeakPolarHBondContact CD1-OE2 3.33Å; F45-E48 PolarHBondContact O-N 3.14Å; W46-E48 VanDerWaalsContact C-N 3.32Å; W46-E48 PolarHBondContact O-N 3.1Å; E48-Y50 VanDerWaalsContact C-N 3.31Å; E48-Y50 PolarHBondContact O-N 3.44Å; E48-A51 WeakPolarHBondContact O-CB 3.32Å; E48-A51 PolarHBondContact O-N 3.31Å; E48-L52 PolarHBondContact O-N 3.13Å; E48-I103 HydrophobicContact CB-CD1 4.2Å; E48-I103 HydrophobicContact CB-CG2 3.96Å; E48-I103 VanDerWaalsContact OE2-CD1 3.32Å; E48-I103 WeakPolarHBondContact OE2-CD1 3.23Å; E48-L114 HydrophobicContact CB-CD2 3.96Å; E48-L114 HydrophobicContact CG-CD2 4.2Å; E48-M191 WeakPolarHBondContact OE1-CB 3.3Å; E48-C194 HydrophobicContact CG-CB 4.01Å
49L98.6Very high97.6Very high0 Ų032.3 Ų32.30%015%0.151CC..Hα-helixtrans-63.9-37.2175.9-71.7175000111.9L22 L24 F45 W46 A51 L52 Y53 V60 L84 I103L22-L49 HydrophobicContact CB-CD2 4.39Å; L22-L49 HydrophobicContact CD1-CD2 3.38Å; L22-L49 HydrophobicContact CG-CD2 4.47Å; L24-L49 HydrophobicContact CB-CD1 3.88Å; L24-L49 HydrophobicContact CD1-CD1 4.32Å; L24-L49 HydrophobicContact CD2-CD1 4.08Å; L24-L49 HydrophobicContact CG-CD1 4.31Å; F45-L49 WeakPolarHBondContact O-CB 3.46Å; F45-L49 WeakPolarHBondContact O-CG 3.24Å; F45-L49 PolarHBondContact O-N 3.02Å; W46-L49 PolarHBondContact O-N 3.41Å; L49-A51 VanDerWaalsContact C-N 3.32Å; L49-L52 PolarHBondContact O-N 3.03Å; L49-Y53 WeakPolarHBondContact O-CB 3.41Å; L49-Y53 PolarHBondContact O-N 2.97Å; L49-V60 HydrophobicContact CB-CG1 4.15Å; L49-V60 HydrophobicContact CB-CG2 4.06Å; L49-V60 HydrophobicContact CD1-CG1 4.27Å; L49-L84 HydrophobicContact CD1-CD1 3.81Å; L49-I103 HydrophobicContact CD2-CD1 4.04Å; L49-I103 HydrophobicContact CD2-CG1 3.95Å; L49-I103 HydrophobicContact CG-CD1 4.01Å; L49-I103 HydrophobicContact CG-CG1 4.47Å
50Y98.4Very high97.6Very high37 Ų3732.6 Ų32.615%0.14515%0.152CC..Hα-helixtrans-64.2-39.6175.9-162.6-77.1000111W46 M47 E48 L52 Y53 E54 A233 A234 E237W46-Y50 VanDerWaalsContact O-CB 3.3Å; W46-Y50 WeakPolarHBondContact O-CB 3.43Å; W46-Y50 PolarHBondContact O-N 3.41Å; M47-Y50 PolarHBondContact O-N 3.15Å; E48-Y50 VanDerWaalsContact C-N 3.31Å; E48-Y50 PolarHBondContact O-N 3.44Å; Y50-L52 VanDerWaalsContact C-N 3.28Å; Y50-L52 PolarHBondContact O-N 2.78Å; Y50-Y53 HydrophobicContact CD2-CD1 4.4Å; Y50-Y53 HydrophobicContact CE2-CD1 4.27Å; Y50-Y53 HydrophobicContact CE2-CE1 4.49Å; Y50-Y53 PolarHBondContact O-N 3.1Å; Y50-E54 HydrophobicContact CD1-CB 4.31Å; Y50-E54 HydrophobicContact CE1-CB 4.22Å; Y50-E54 WeakPolarHBondContact O-CB 3.45Å; Y50-E54 PolarHBondContact O-N 3.26Å; Y50-A233 HydrophobicContact CE1-CB 3.6Å; Y50-A234 VanDerWaalsContact CD1-CA 3.5Å; Y50-A234 HydrophobicContact CD1-CB 3.73Å; Y50-A234 HydrophobicContact CG-CB 3.97Å; Y50-E237 HydrophobicContact CD2-CB 4.2Å; Y50-E237 HydrophobicContact CD2-CG 4.39Å; Y50-E237 HydrophobicContact CE2-CB 3.87Å; Y50-E237 HydrophobicContact CE2-CG 3.59Å
51A97Very high97.6Very high16 Ų1634.2 Ų34.213%0.13216%0.16CC..Hα-helixtrans-57.9-41.8175.500000111.8M47 E48 L49 I55 L114 M189M47-A51 PolarHBondContact O-N 3.48Å; E48-A51 WeakPolarHBondContact O-CB 3.32Å; E48-A51 PolarHBondContact O-N 3.31Å; L49-A51 VanDerWaalsContact C-N 3.32Å; A51-I55 WeakPolarHBondContact O-CG1 3.31Å; A51-L114 HydrophobicContact CB-CD1 4.13Å; A51-M189 HydrophobicContact CB-CE 3.57Å
52L97.7Very high97.5Very high0 Ų030.9 Ų30.90%015%0.147CC..Hα-helixtrans-73.7-35.7176.9-60.1176.7000112.6E48 L49 Y50 N56 L57 V58 I103 I106 A107 V112 L114E48-L52 PolarHBondContact O-N 3.13Å; L49-L52 PolarHBondContact O-N 3.03Å; Y50-L52 VanDerWaalsContact C-N 3.28Å; Y50-L52 PolarHBondContact O-N 2.78Å; L52-N56 PolarHBondContact O-N 3.26Å; L52-L57 HydrophobicContact CD2-CD1 4.33Å; L52-L57 PolarHBondContact O-N 2.72Å; L52-V58 HydrophobicContact CB-CG1 4.37Å; L52-V58 HydrophobicContact CB-CG2 3.56Å; L52-I103 HydrophobicContact CD1-CG2 3.86Å; L52-I106 HydrophobicContact CD1-CB 4.17Å; L52-I106 HydrophobicContact CD1-CG2 3.86Å; L52-A107 HydrophobicContact CD2-CB 4.25Å; L52-V112 HydrophobicContact CD2-CB 4.29Å; L52-V112 HydrophobicContact CD2-CG1 4.21Å; L52-V112 HydrophobicContact CD2-CG2 4.11Å; L52-L114 HydrophobicContact CG-CD2 4.47Å
53Y97.5Very high97.4Very high43 Ų4332.9 Ų32.917%0.16916%0.155CC..Hα-helixtrans-66-43176.5166.4-102.9000112.1V7 K8 L49 Y50 I55 N56V7-Y53 HydrophobicContact CG1-CE1 3.9Å; V7-Y53 WeakPolarHBondContact CG1-OH 3.44Å; K8-Y53 PolarHBondContact O-OH 3.2Å; L49-Y53 WeakPolarHBondContact O-CB 3.41Å; L49-Y53 PolarHBondContact O-N 2.97Å; Y50-Y53 HydrophobicContact CD2-CD1 4.4Å; Y50-Y53 HydrophobicContact CE2-CD1 4.27Å; Y50-Y53 HydrophobicContact CE2-CE1 4.49Å; Y50-Y53 PolarHBondContact O-N 3.1Å; Y53-I55 VanDerWaalsContact C-N 3.28Å; Y53-I55 PolarHBondContact O-N 2.95Å; Y53-N56 WeakPolarHBondContact O-CA 3.42Å; Y53-N56 PolarHBondContact O-N 3.28Å
54E95Very high97.3Very high122 Ų12234.4 Ų34.457%0.5717%0.165SC*.Hα-helixtrans-62.1-36-176.6-176.7170.6-140.800112.3Y50 N56Y50-E54 HydrophobicContact CD1-CB 4.31Å; Y50-E54 HydrophobicContact CE1-CB 4.22Å; Y50-E54 WeakPolarHBondContact O-CB 3.45Å; Y50-E54 PolarHBondContact O-N 3.26Å; E54-N56 VanDerWaalsContact C-N 3.27Å
55I94.7Very high97.2Very high90 Ų9034.6 Ų34.646%0.46217%0.167SC..THydrogen-bonded Turntrans-9115.1173.162.6173.5000113.1A51 Y53 L57 V112A51-I55 WeakPolarHBondContact O-CG1 3.31Å; Y53-I55 VanDerWaalsContact C-N 3.28Å; Y53-I55 PolarHBondContact O-N 2.95Å; I55-L57 HydrophobicContact CD1-CD1 3.46Å; I55-L57 VanDerWaalsContact CD1-CD1 3.46Å; I55-L57 HydrophobicContact CD1-CG 4.06Å; I55-L57 HydrophobicContact CG1-CD1 3.85Å; I55-L57 HydrophobicContact CG1-CG 3.92Å; I55-L57 PolarHBondContact O-N 3.18Å; I55-V112 HydrophobicContact CD1-CB 4.46Å; I55-V112 HydrophobicContact CD1-CG1 4.03Å; I55-V112 HydrophobicContact CD1-CG2 3.54Å
56N95.2Very high97Very high50 Ų5036.8 Ų36.827%0.26718%0.178SC..THydrogen-bonded Turntrans65.330166.8-167.140.9000115A12 K19 L52 Y53 E54A12-N56 PolarHBondContact O-ND2 3.23Å; K19-N56 WeakPolarHBondContact CD-O 3.41Å; K19-N56 WeakPolarHBondContact CE-O 3.44Å; K19-N56 PolarHBondContact NZ-ND2 3.44Å; K19-N56 PolarHBondContact NZ-O 3.19Å; K19-N56 PolarHBondContact NZ-OD1 2.99Å; L52-N56 PolarHBondContact O-N 3.26Å; Y53-N56 WeakPolarHBondContact O-CA 3.42Å; Y53-N56 PolarHBondContact O-N 3.28Å; E54-N56 VanDerWaalsContact C-N 3.27Å
57L95.3Very high96.7Very high32 Ų3236.4 Ų36.417%0.16818%0.18CC..SBendtrans-90.6-27.1179.5-66177.6000113.9L52 I55 F110 V112L52-L57 HydrophobicContact CD2-CD1 4.33Å; L52-L57 PolarHBondContact O-N 2.72Å; I55-L57 HydrophobicContact CD1-CD1 3.46Å; I55-L57 VanDerWaalsContact CD1-CD1 3.46Å; I55-L57 HydrophobicContact CD1-CG 4.06Å; I55-L57 HydrophobicContact CG1-CD1 3.85Å; I55-L57 HydrophobicContact CG1-CG 3.92Å; I55-L57 PolarHBondContact O-N 3.18Å; L57-F110 HydrophobicContact CB-CD2 4.35Å; L57-F110 HydrophobicContact CD1-CB 3.45Å; L57-F110 VanDerWaalsContact CD1-CB 3.45Å; L57-F110 HydrophobicContact CD1-CD2 4.05Å; L57-F110 HydrophobicContact CD1-CG 3.81Å; L57-F110 HydrophobicContact CD2-CB 3.93Å; L57-F110 HydrophobicContact CD2-CD1 3.64Å; L57-F110 HydrophobicContact CD2-CD2 4.17Å; L57-F110 HydrophobicContact CD2-CE1 4.19Å; L57-F110 HydrophobicContact CD2-CG 3.64Å; L57-F110 HydrophobicContact CG-CB 4.3Å; L57-F110 HydrophobicContact CG-CD2 4.43Å; L57-F110 HydrophobicContact CG-CG 4.22Å; L57-V112 HydrophobicContact CD1-CG2 3.42Å; L57-V112 VanDerWaalsContact CD1-CG2 3.42Å
58V97Very high96.4Very high3 Ų342.1 Ų42.12%0.01821%0.21CC..  trans-134.1158.1-177.6-63.90000110.6P20 L22 L52 V60 I106P20-V58 HydrophobicContact CB-CG1 4.32Å; P20-V58 HydrophobicContact CG-CG1 4.42Å; L22-V58 HydrophobicContact CD1-CB 4.05Å; L22-V58 HydrophobicContact CD1-CG1 3.9Å; L22-V58 HydrophobicContact CD1-CG2 4.38Å; L52-V58 HydrophobicContact CB-CG1 4.37Å; L52-V58 HydrophobicContact CB-CG2 3.56Å; V58-V60 HydrophobicContact CB-CG2 4.43Å; V58-V60 HydrophobicContact CG2-CG2 3.63Å; V58-I106 HydrophobicContact CG1-CD1 4.17Å; V58-I106 HydrophobicContact CG1-CG2 3.82Å
59R97.2Very high96.1Very high103 Ų10344 Ų4439%0.38922%0.223SC..EExtended strand (participates in β ladder)trans-99.3132.1163-64.7-178.7-68134.9-6.7107.7P20 F21 L22 D88P20-R59 PolarHBondContact O-N 3.1Å; F21-R59 HydrophobicContact CB-CB 4.48Å; F21-R59 HydrophobicContact CD2-CB 3.75Å; L22-R59 PolarHBondContact N-O 3Å; R59-D88 IonicContact NH2-OD2 3.3Å; R59-D88 PolarHBondContact NH2-OD2 2.53Å
60V98Very high95.9Very high26 Ų2648.9 Ų48.916%0.15825%0.246CC..EExtended strand (participates in β ladder)trans-126.7129.7-177.6-176.80000109.7L22 L49 V58 V62L22-V60 CarbonylContact O-C 3.37Å; L22-V60 VanDerWaalsContact O-CA 3.29Å; L22-V60 WeakPolarHBondContact O-CA 3.05Å; L49-V60 HydrophobicContact CB-CG1 4.15Å; L49-V60 HydrophobicContact CB-CG2 4.06Å; L49-V60 HydrophobicContact CD1-CG1 4.27Å; V58-V60 HydrophobicContact CB-CG2 4.43Å; V58-V60 HydrophobicContact CG2-CG2 3.63Å; V60-V62 HydrophobicContact CG1-CG2 4.16Å
61E98Very high95.6Very high49 Ų4951.6 Ų51.623%0.22927%0.268CS..EExtended strand (participates in β ladder)trans-117.7136.6165.3-172.3178.4177.200109.1C4 F21 L22 E23 L24 K63C4-E61 PolarHBondContact SG-OE1 2.81Å; F21-E61 HydrophobicContact CE2-CB 3.96Å; F21-E61 HydrophobicContact CZ-CB 4.09Å; L22-E61 PolarHBondContact O-N 2.78Å; E23-E61 CarbonylContact C-O 3.59Å; E23-E61 WeakPolarHBondContact CA-O 3.39Å; E23-E61 HydrophobicContact CG-CB 4.47Å; L24-E61 PolarHBondContact N-O 3.4Å; E61-K63 HydrophobicContact CG-CG 4.32Å; E61-K63 WeakPolarHBondContact OE1-CE 3.27Å; E61-K63 WeakPolarHBondContact OE2-CE 3.44Å; E61-K63 IonicContact OE2-NZ 3.31Å
62V97.9Very high95.4Very high23 Ų2351.3 Ų51.314%0.13926%0.264CS..EExtended strand (participates in β ladder)trans-112.6128.7176.8-177.70000109.6L24 V26 W46 V60L24-V62 HydrophobicContact CB-CG2 4.36Å; L24-V62 CarbonylContact O-C 3.48Å; L24-V62 WeakPolarHBondContact O-CA 3.42Å; V26-V62 HydrophobicContact CB-CG1 4.43Å; V26-V62 HydrophobicContact CG1-CG1 3.83Å; V26-V62 HydrophobicContact CG2-CG1 3.69Å; W46-V62 HydrophobicContact CD2-CG1 4.15Å; W46-V62 HydrophobicContact CD2-CG2 4.01Å; W46-V62 HydrophobicContact CE3-CG1 4.06Å; W46-V62 HydrophobicContact CG-CG2 4.2Å; W46-V62 HydrophobicContact CH2-CG1 4.06Å; W46-V62 HydrophobicContact CZ2-CB 4.17Å; W46-V62 HydrophobicContact CZ2-CG1 4.14Å; W46-V62 HydrophobicContact CZ2-CG2 4.05Å; W46-V62 HydrophobicContact CZ3-CG1 4.01Å; V60-V62 HydrophobicContact CG1-CG2 4.16Å
63K96.5Very high95.2Very high47 Ų4755.8 Ų55.820%0.20428%0.283CS..EExtended strand (participates in β ladder)trans-122120-176.3-64179.5-176.3174.10109.9E23 L24 F25 V26 E61E23-K63 IonicContact OE1-NZ 3.55Å; E23-K63 PolarHBondContact OE1-NZ 2.87Å; E23-K63 IonicContact OE2-NZ 3.54Å; E23-K63 PolarHBondContact OE2-NZ 3.3Å; L24-K63 PolarHBondContact O-N 3.15Å; F25-K63 CarbonylContact C-O 3.59Å; F25-K63 WeakPolarHBondContact CA-O 3.37Å; F25-K63 HydrophobicContact CD1-CB 3.82Å; F25-K63 HydrophobicContact CD1-CD 4.44Å; F25-K63 HydrophobicContact CE1-CB 3.93Å; F25-K63 HydrophobicContact CE1-CD 3.71Å; F25-K63 HydrophobicContact CE1-CG 4.42Å; F25-K63 HydrophobicContact CG-CB 4.46Å; F25-K63 HydrophobicContact CZ-CD 3.76Å; V26-K63 PolarHBondContact N-O 2.72Å; E61-K63 HydrophobicContact CG-CG 4.32Å; E61-K63 WeakPolarHBondContact OE1-CE 3.27Å; E61-K63 WeakPolarHBondContact OE2-CE 3.44Å; E61-K63 IonicContact OE2-NZ 3.31Å
64T96.3Very high94.9Very high36 Ų3662.1 Ų62.122%0.22131%0.307CS..EExtended strand (participates in β ladder)trans-75.3136.3173.148.60000110.2V26 I36V26-T64 HydrophobicContact CG2-CG2 3.96Å; V26-T64 WeakPolarHBondContact O-CA 3.5Å; I36-T64 HydrophobicContact CB-CG2 4.3Å; I36-T64 HydrophobicContact CG2-CG2 3.47Å; I36-T64 VanDerWaalsContact CG2-CG2 3.47Å
65V96.1Very high94.8Very high19 Ų1960.3 Ų60.312%0.11531%0.307CS..EExtended strand (participates in β ladder)trans-130.8132.4179.5-69.50000112.6F25 V26 A28 V67 F72 P81F25-V65 HydrophobicContact CB-CG1 4.48Å; F25-V65 HydrophobicContact CB-CG2 4.42Å; F25-V65 HydrophobicContact CD1-CG1 3.6Å; F25-V65 HydrophobicContact CE1-CG1 4.37Å; V26-V65 WeakPolarHBondContact O-CG2 3.38Å; V26-V65 PolarHBondContact O-N 3.34Å; A28-V65 VanDerWaalsContact CB-O 3.31Å; A28-V65 WeakPolarHBondContact CB-O 3.23Å; A28-V65 PolarHBondContact N-O 2.92Å; V65-V67 PolarHBondContact O-N 3.48Å; V65-F72 HydrophobicContact CB-CD2 3.62Å; V65-F72 HydrophobicContact CB-CE2 3.91Å; V65-F72 HydrophobicContact CB-CG 4.35Å; V65-F72 HydrophobicContact CG1-CD2 3.76Å; V65-F72 HydrophobicContact CG1-CE2 4.11Å; V65-F72 HydrophobicContact CG2-CD2 3.82Å; V65-F72 HydrophobicContact CG2-CE2 3.54Å; V65-F72 HydrophobicContact CG2-CZ 4.17Å; V65-P81 HydrophobicContact CG2-CB 4.48Å; V65-P81 HydrophobicContact CG2-CG 3.44Å; V65-P81 VanDerWaalsContact CG2-CG 3.44Å
66N94.5Very high94.7Very high47 Ų4757 Ų5725%0.25129%0.29SS..  trans-78.4105.5164.5-178.6-10.3000109N33 N68 S69N33-N66 HydrophobicContact CB-CB 4.44Å; N33-N66 PolarHBondContact ND2-ND2 2.88Å; N33-N66 VanDerWaalsContact ND2-ND2 3.11Å; N33-N66 PolarHBondContact OD1-ND2 2.94Å; N66-N68 PolarHBondContact O-N 3.35Å; N66-N68 VanDerWaalsContact O-N 3.1Å; N66-N68 WeakPolarHBondContact OD1-CB 3.38Å; N66-N68 PolarHBondContact OD1-N 3.21Å; N66-S69 VanDerWaalsContact O-CB 3.3Å; N66-S69 WeakPolarHBondContact O-CB 3.38Å; N66-S69 PolarHBondContact O-N 3.4Å; N66-S69 PolarHBondContact O-OG 3.2Å
67V93.5Very high94.6Very high22 Ų2262.4 Ų62.413%0.13332%0.318CS..THydrogen-bonded Turntrans-60.9-18.6-179.1-60.70000113.9K27 V65 F72 K73 L80 P81K27-V67 HydrophobicContact CG-CG1 4.08Å; V65-V67 PolarHBondContact O-N 3.48Å; V67-F72 HydrophobicContact CB-CD1 4.42Å; V67-F72 HydrophobicContact CB-CE1 4.25Å; V67-F72 HydrophobicContact CG1-CE1 4.14Å; V67-K73 WeakPolarHBondContact O-CE 3.42Å; V67-L80 HydrophobicContact CB-CD2 4.18Å; V67-L80 HydrophobicContact CG1-CD2 4.32Å; V67-P81 VanDerWaalsContact CG1-CD 3.41Å; V67-P81 HydrophobicContact CG1-CG 3.75Å
68N91.6Very high94.3Very high120 Ų12063.2 Ų63.264%0.64233%0.334SS*.THydrogen-bonded Turntrans-87.1-12.4177.3-64.5-44.4000113.1N66 K73N66-N68 PolarHBondContact O-N 3.35Å; N66-N68 VanDerWaalsContact O-N 3.1Å; N66-N68 WeakPolarHBondContact OD1-CB 3.38Å; N66-N68 PolarHBondContact OD1-N 3.21Å; N68-K73 PolarHBondContact O-NZ 2.49Å
69S92.8Very high94.1Very high38 Ų3864.1 Ų64.127%0.26634%0.341SS..SBendtrans-70.7138.9-177.474.40000111.9N66 F72 K73N66-S69 VanDerWaalsContact O-CB 3.3Å; N66-S69 WeakPolarHBondContact O-CB 3.38Å; N66-S69 PolarHBondContact O-N 3.4Å; N66-S69 PolarHBondContact O-OG 3.2Å; S69-F72 PolarHBondContact O-N 3.06Å; S69-F72 VanDerWaalsContact OG-CB 3.24Å; S69-F72 WeakPolarHBondContact OG-CB 3.16Å; S69-F72 PolarHBondContact OG-N 2.99Å; S69-K73 PolarHBondContact O-N 2.88Å; S69-K73 VanDerWaalsContact O-N 3.15Å
70E93.3Very high94.1Very high104 Ų10464.8 Ų64.849%0.48635%0.352SS..Hα-helixtrans-59.9-40.8178-174.663.3-167.200113.1F72 K73 R74E70-F72 PolarHBondContact O-N 2.95Å; E70-K73 PolarHBondContact O-N 2.91Å; E70-R74 WeakPolarHBondContact O-CG 3.48Å; E70-R74 PolarHBondContact O-N 3.31Å; E70-R74 VanDerWaalsContact O-N 3.1Å; E70-R74 IonicContact OE1-CZ 3.34Å; E70-R74 IonicContact OE1-NE 3.17Å; E70-R74 PolarHBondContact OE1-NE 2.99Å; E70-R74 IonicContact OE1-NH2 3Å; E70-R74 PolarHBondContact OE1-NH2 3.47Å
71P92.1Very high94Very high93 Ų9364.2 Ų64.260%0.60435%0.349SS*.Hα-helixtrans-59.6-43.9175.6-24.635.7000113R74 S75P71-R74 PolarHBondContact O-N 2.69Å; P71-S75 PolarHBondContact O-N 3.48Å; P71-S75 PolarHBondContact O-OG 3.17Å; P71-S75 VanDerWaalsContact O-OG 3.13Å
72F92.6Very high94.1Very high10 Ų1062 Ų624%0.04434%0.339CS..Hα-helixtrans-62.5-48.4178.9176.3-97.5000111.6V65 V67 S69 E70 R74 S75 F76 A79 P81 I83V65-F72 HydrophobicContact CB-CD2 3.62Å; V65-F72 HydrophobicContact CB-CE2 3.91Å; V65-F72 HydrophobicContact CB-CG 4.35Å; V65-F72 HydrophobicContact CG1-CD2 3.76Å; V65-F72 HydrophobicContact CG1-CE2 4.11Å; V65-F72 HydrophobicContact CG2-CD2 3.82Å; V65-F72 HydrophobicContact CG2-CE2 3.54Å; V65-F72 HydrophobicContact CG2-CZ 4.17Å; V67-F72 HydrophobicContact CB-CD1 4.42Å; V67-F72 HydrophobicContact CB-CE1 4.25Å; V67-F72 HydrophobicContact CG1-CE1 4.14Å; S69-F72 PolarHBondContact O-N 3.06Å; S69-F72 VanDerWaalsContact OG-CB 3.24Å; S69-F72 WeakPolarHBondContact OG-CB 3.16Å; S69-F72 PolarHBondContact OG-N 2.99Å; E70-F72 PolarHBondContact O-N 2.95Å; F72-R74 VanDerWaalsContact C-N 3.26Å; F72-R74 PolarHBondContact O-N 3.4Å; F72-S75 PolarHBondContact O-N 2.93Å; F72-F76 AromaticContact CD2-CD2 3.35Å; F72-F76 HydrophobicContact CD2-CD2 3.35Å; F72-F76 AromaticContact CD2-CE2 3.62Å; F72-F76 HydrophobicContact CD2-CE2 3.62Å; F72-F76 HydrophobicContact CD2-CG 4.5Å; F72-F76 AromaticContact CE2-CD2 3.2Å; F72-F76 HydrophobicContact CE2-CD2 3.2Å; F72-F76 AromaticContact CE2-CE2 3.56Å; F72-F76 HydrophobicContact CE2-CE2 3.56Å; F72-F76 HydrophobicContact CE2-CG 4.04Å; F72-F76 HydrophobicContact CG-CD2 4.15Å; F72-F76 HydrophobicContact CZ-CB 4.41Å; F72-F76 AromaticContact CZ-CD2 3.91Å; F72-F76 HydrophobicContact CZ-CD2 3.91Å; F72-F76 HydrophobicContact CZ-CG 4.39Å; F72-F76 WeakPolarHBondContact O-CD2 3.42Å; F72-F76 PolarHBondContact O-N 3.43Å; F72-F76 VanDerWaalsContact O-N 3.09Å; F72-A79 VanDerWaalsContact CE1-O 3.24Å; F72-A79 WeakPolarHBondContact CE1-O 3.42Å; F72-A79 VanDerWaalsContact CZ-O 3.31Å; F72-A79 WeakPolarHBondContact CZ-O 3.45Å; F72-P81 HydrophobicContact CE2-CG 4.32Å; F72-P81 HydrophobicContact CZ-CG 3.9Å; F72-I83 HydrophobicContact CE2-CD1 4.17Å; F72-I83 HydrophobicContact CZ-CD1 3.9Å
73K93.4Very high94.1Very high94 Ų9460.9 Ų60.941%0.40933%0.332SS..Hα-helixtrans-58-38.9179.6-72.9175.4177.3169.70112.3V67 N68 S69 E70 L77 G78V67-K73 WeakPolarHBondContact O-CE 3.42Å; N68-K73 PolarHBondContact O-NZ 2.49Å; S69-K73 PolarHBondContact O-N 2.88Å; S69-K73 VanDerWaalsContact O-N 3.15Å; E70-K73 PolarHBondContact O-N 2.91Å; K73-L77 WeakPolarHBondContact O-CA 3.44Å; K73-L77 PolarHBondContact O-N 2.9Å; K73-G78 PolarHBondContact O-N 2.88Å
74R93.2Very high94.2Very high177 Ų17758.6 Ų58.667%0.66832%0.322SS*.Hα-helixtrans-68.9-47.2176.8-71.6179.9-174.3-162.51.5112.5E70 P71 F72 F76E70-R74 WeakPolarHBondContact O-CG 3.48Å; E70-R74 PolarHBondContact O-N 3.31Å; E70-R74 VanDerWaalsContact O-N 3.1Å; E70-R74 IonicContact OE1-CZ 3.34Å; E70-R74 IonicContact OE1-NE 3.17Å; E70-R74 PolarHBondContact OE1-NE 2.99Å; E70-R74 IonicContact OE1-NH2 3Å; E70-R74 PolarHBondContact OE1-NH2 3.47Å; P71-R74 PolarHBondContact O-N 2.69Å; F72-R74 VanDerWaalsContact C-N 3.26Å; F72-R74 PolarHBondContact O-N 3.4Å; R74-F76 VanDerWaalsContact C-N 3.31Å; R74-F76 PolarHBondContact O-N 2.86Å
75S92.7Very high94.3Very high83 Ų8358.1 Ų58.158%0.5832%0.319SS*.Hα-helixtrans-64.7-34.5-177.2-63.10000113.2P71 F72P71-S75 PolarHBondContact O-N 3.48Å; P71-S75 PolarHBondContact O-OG 3.17Å; P71-S75 VanDerWaalsContact O-OG 3.13Å; F72-S75 PolarHBondContact O-N 2.93Å
76F92.7Very high94.3Very high21 Ų2157.4 Ų57.49%0.09232%0.315CS..THydrogen-bonded Turntrans-114.312.1-173-61.3-71.7000114.1F25 F72 R74 G78 A79 I83 V85 M92F25-F76 HydrophobicContact CD1-CE2 4.13Å; F25-F76 AromaticContact CD1-CZ 3.93Å; F25-F76 HydrophobicContact CD1-CZ 3.93Å; F25-F76 HydrophobicContact CD2-CE1 4.4Å; F25-F76 AromaticContact CD2-CZ 3.88Å; F25-F76 HydrophobicContact CD2-CZ 3.88Å; F25-F76 HydrophobicContact CE1-CE2 4.2Å; F25-F76 AromaticContact CE1-CZ 3.85Å; F25-F76 HydrophobicContact CE1-CZ 3.85Å; F25-F76 HydrophobicContact CE2-CE1 4.44Å; F25-F76 AromaticContact CE2-CZ 3.83Å; F25-F76 HydrophobicContact CE2-CZ 3.83Å; F25-F76 HydrophobicContact CG-CE2 4.41Å; F25-F76 AromaticContact CG-CZ 3.93Å; F25-F76 HydrophobicContact CG-CZ 3.93Å; F25-F76 AromaticContact CZ-CZ 3.81Å; F25-F76 HydrophobicContact CZ-CZ 3.81Å; F72-F76 AromaticContact CD2-CD2 3.35Å; F72-F76 HydrophobicContact CD2-CD2 3.35Å; F72-F76 AromaticContact CD2-CE2 3.62Å; F72-F76 HydrophobicContact CD2-CE2 3.62Å; F72-F76 HydrophobicContact CD2-CG 4.5Å; F72-F76 AromaticContact CE2-CD2 3.2Å; F72-F76 HydrophobicContact CE2-CD2 3.2Å; F72-F76 AromaticContact CE2-CE2 3.56Å; F72-F76 HydrophobicContact CE2-CE2 3.56Å; F72-F76 HydrophobicContact CE2-CG 4.04Å; F72-F76 HydrophobicContact CG-CD2 4.15Å; F72-F76 HydrophobicContact CZ-CB 4.41Å; F72-F76 AromaticContact CZ-CD2 3.91Å; F72-F76 HydrophobicContact CZ-CD2 3.91Å; F72-F76 HydrophobicContact CZ-CG 4.39Å; F72-F76 WeakPolarHBondContact O-CD2 3.42Å; F72-F76 PolarHBondContact O-N 3.43Å; F72-F76 VanDerWaalsContact O-N 3.09Å; R74-F76 VanDerWaalsContact C-N 3.31Å; R74-F76 PolarHBondContact O-N 2.86Å; F76-G78 PolarHBondContact O-N 3.01Å; F76-A79 HydrophobicContact CB-CB 4.28Å; F76-A79 VanDerWaalsContact O-CB 3.29Å; F76-A79 WeakPolarHBondContact O-CB 3.15Å; F76-A79 PolarHBondContact O-N 3.09Å; F76-I83 HydrophobicContact CB-CD1 3.76Å; F76-I83 HydrophobicContact CD1-CD1 3.56Å; F76-I83 HydrophobicContact CD1-CG2 3.88Å; F76-I83 HydrophobicContact CD2-CD1 4.16Å; F76-I83 HydrophobicContact CE1-CD1 4.17Å; F76-I83 HydrophobicContact CE1-CG2 3.72Å; F76-I83 HydrophobicContact CG-CD1 3.55Å; F76-V85 HydrophobicContact CE1-CG2 4.28Å; F76-M92 HydrophobicContact CD1-SD 3.53Å; F76-M92 VanDerWaalsContact CD1-SD 3.53Å; F76-M92 HydrophobicContact CE1-SD 3.84Å
77L91.7Very high94.4Very high163 Ų16357.5 Ų57.585%0.85332%0.318SS*.THydrogen-bonded Turntrans49.535.1177.4-56.6178.1000113.9K73K73-L77 WeakPolarHBondContact O-CA 3.44Å; K73-L77 PolarHBondContact O-N 2.9Å
78G88.6Confident94.5Very high49 Ų4961.2 Ų61.251%0.50534%0.337SS..THydrogen-bonded Turntrans84.11.9-179.100000116.2K73 F76K73-G78 PolarHBondContact O-N 2.88Å; F76-G78 PolarHBondContact O-N 3.01Å
79A94.4Very high94.6Very high22 Ų2260.5 Ų60.518%0.18233%0.328CS..  trans-60145.7169.100000110.9F72 F76 I83 T94F72-A79 VanDerWaalsContact CE1-O 3.24Å; F72-A79 WeakPolarHBondContact CE1-O 3.42Å; F72-A79 VanDerWaalsContact CZ-O 3.31Å; F72-A79 WeakPolarHBondContact CZ-O 3.45Å; F76-A79 HydrophobicContact CB-CB 4.28Å; F76-A79 VanDerWaalsContact O-CB 3.29Å; F76-A79 WeakPolarHBondContact O-CB 3.15Å; F76-A79 PolarHBondContact O-N 3.09Å; A79-I83 HydrophobicContact CB-CD1 3.92Å; A79-T94 HydrophobicContact CB-CG2 3.79Å
80L95.7Very high94.8Very high117 Ų11767.5 Ų67.561%0.61336%0.357SS*.  trans-105148.7-179.5-65.7177.3000110.4V67V67-L80 HydrophobicContact CB-CD2 4.18Å; V67-L80 HydrophobicContact CG1-CD2 4.32Å
81P97.5Very high94.9Very high14 Ų1466.1 Ų66.19%0.09135%0.352CS..SBendtrans-58.4147.6172.2-24.836.5000112.5K27 V65 V67 F72K27-P81 HydrophobicContact CB-CB 4.15Å; K27-P81 HydrophobicContact CB-CG 4.27Å; V65-P81 HydrophobicContact CG2-CB 4.48Å; V65-P81 HydrophobicContact CG2-CG 3.44Å; V65-P81 VanDerWaalsContact CG2-CG 3.44Å; V67-P81 VanDerWaalsContact CG1-CD 3.41Å; V67-P81 HydrophobicContact CG1-CG 3.75Å; F72-P81 HydrophobicContact CE2-CG 4.32Å; F72-P81 HydrophobicContact CZ-CG 3.9Å
82P98.5Very high95.2Very high2 Ų265.9 Ų65.91%0.01334%0.344CS..  cis-73.9142.14.929.5-33.7000113.3L24 F25 F41 F45 I99L24-P82 HydrophobicContact CD1-CB 4.08Å; F25-P82 WeakPolarHBondContact O-CA 3.21Å; F41-P82 HydrophobicContact CB-CG 3.88Å; F45-P82 HydrophobicContact CD2-CB 3.8Å; F45-P82 HydrophobicContact CD2-CG 3.44Å; F45-P82 VanDerWaalsContact CD2-CG 3.44Å; F45-P82 HydrophobicContact CE2-CB 4.39Å; F45-P82 HydrophobicContact CE2-CG 3.58Å; P82-I99 HydrophobicContact CB-CD1 4.07Å; P82-I99 HydrophobicContact CG-CD1 4.1Å; P82-I99 VanDerWaalsContact O-CD1 3.3Å; P82-I99 WeakPolarHBondContact O-CD1 3.41Å
83I98.4Very high95.4Very high0 Ų067.1 Ų67.10%035%0.348CS..EExtended strand (participates in β ladder)trans-128.4129.6170.7-61.7170.4000107.4F25 F72 F76 A79 V85 M92 T94F25-I83 HydrophobicContact CB-CB 4.22Å; F25-I83 PolarHBondContact N-O 3Å; F25-I83 PolarHBondContact O-N 2.91Å; F72-I83 HydrophobicContact CE2-CD1 4.17Å; F72-I83 HydrophobicContact CZ-CD1 3.9Å; F76-I83 HydrophobicContact CB-CD1 3.76Å; F76-I83 HydrophobicContact CD1-CD1 3.56Å; F76-I83 HydrophobicContact CD1-CG2 3.88Å; F76-I83 HydrophobicContact CD2-CD1 4.16Å; F76-I83 HydrophobicContact CE1-CD1 4.17Å; F76-I83 HydrophobicContact CE1-CG2 3.72Å; F76-I83 HydrophobicContact CG-CD1 3.55Å; A79-I83 HydrophobicContact CB-CD1 3.92Å; I83-V85 HydrophobicContact CG2-CG2 4.26Å; I83-M92 HydrophobicContact CG2-CG 3.97Å; I83-M92 HydrophobicContact CG2-SD 4.4Å; I83-T94 HydrophobicContact CG1-CG2 4.37Å; I83-T94 HydrophobicContact CG2-CG2 4.09Å
84L98.6Very high95.6Very high0 Ų065.3 Ų65.30%035%0.345CS..EExtended strand (participates in β ladder)trans-106.8130.9176.7-173.471000109.4L22 E23 L24 L49 Y93 I99 R102L22-L84 HydrophobicContact CB-CD1 4.04Å; L22-L84 HydrophobicContact CD2-CD2 4.43Å; E23-L84 CarbonylContact O-C 3.58Å; E23-L84 WeakPolarHBondContact O-CA 3.26Å; L24-L84 HydrophobicContact CB-CD1 4.45Å; L24-L84 HydrophobicContact CD1-CD1 4.41Å; L49-L84 HydrophobicContact CD1-CD1 3.81Å; L84-Y93 HydrophobicContact CB-CD2 4.02Å; L84-Y93 HydrophobicContact CD2-CD2 3.9Å; L84-Y93 HydrophobicContact CD2-CE2 4.35Å; L84-Y93 HydrophobicContact CG-CD2 4.07Å; L84-Y93 PolarHBondContact N-O 3.09Å; L84-Y93 WeakPolarHBondContact O-CD2 3.39Å; L84-Y93 PolarHBondContact O-N 3.24Å; L84-I99 HydrophobicContact CB-CD1 4.36Å; L84-I99 HydrophobicContact CB-CG1 3.93Å; L84-I99 HydrophobicContact CB-CG2 4.15Å; L84-I99 HydrophobicContact CD2-CG2 4.18Å; L84-R102 HydrophobicContact CD2-CB 4.45Å; L84-R102 HydrophobicContact CD2-CG 4.3Å
85V98.1Very high95.7Very high26 Ų2659.3 Ų59.316%0.15833%0.327CS..EExtended strand (participates in β ladder)trans-120136.9175.7-178.40000109.1E23 F25 F76 I83 P87 L91 M92E23-V85 HydrophobicContact CB-CB 4.31Å; E23-V85 PolarHBondContact N-O 3.22Å; E23-V85 PolarHBondContact O-N 3.12Å; F25-V85 HydrophobicContact CD2-CG2 4.1Å; F25-V85 HydrophobicContact CE2-CB 4.31Å; F25-V85 HydrophobicContact CE2-CG2 3.72Å; F76-V85 HydrophobicContact CE1-CG2 4.28Å; I83-V85 HydrophobicContact CG2-CG2 4.26Å; V85-P87 HydrophobicContact CG1-CG 4.08Å; V85-P87 WeakPolarHBondContact O-CD 3.47Å; V85-L91 WeakPolarHBondContact CA-O 3.16Å; V85-M92 HydrophobicContact CG2-CG 4.15Å
86E97.4Very high96Very high4 Ų457.6 Ų57.62%0.01931%0.311CS..EExtended strand (participates in β ladder)trans-109.488.8166.2-89.7176.7-102.700108.5L22 D88 K89 E90 L91 Y93 R102L22-E86 HydrophobicContact CD2-CG 3.27Å; E86-D88 VanDerWaalsContact C-N 3.26Å; E86-D88 PolarHBondContact O-N 3.17Å; E86-K89 HydrophobicContact CB-CB 4.23Å; E86-K89 CarbonylContact O-C 3.58Å; E86-K89 PolarHBondContact O-N 3.39Å; E86-K89 WeakPolarHBondContact OE2-CD 3.28Å; E86-K89 WeakPolarHBondContact OE2-CE 3.46Å; E86-K89 IonicContact OE2-NZ 2.79Å; E86-K89 PolarHBondContact OE2-NZ 3.17Å; E86-E90 PolarHBondContact O-N 3.26Å; E86-L91 HydrophobicContact CB-CB 4.31Å; E86-L91 PolarHBondContact N-O 3.07Å; E86-L91 PolarHBondContact O-N 3.03Å; E86-Y93 HydrophobicContact CG-CE2 4.46Å; E86-Y93 WeakPolarHBondContact OE1-CE2 3.46Å; E86-Y93 PolarHBondContact OE1-OH 2.87Å; E86-R102 WeakPolarHBondContact OE1-CD 3.29Å; E86-R102 WeakPolarHBondContact OE1-CG 3.42Å; E86-R102 IonicContact OE1-CZ 3.23Å; E86-R102 IonicContact OE1-NE 3.98Å; E86-R102 PolarHBondContact OE1-NE 3.4Å; E86-R102 IonicContact OE1-NH2 3.89Å; E86-R102 IonicContact OE2-CZ 3.53Å; E86-R102 IonicContact OE2-NE 2.65Å; E86-R102 PolarHBondContact OE2-NE 2.93Å; E86-R102 IonicContact OE2-NH2 3.53Å; E86-R102 PolarHBondContact OE2-NH2 3.15Å
87P96Very high96.2Very high48 Ų4864.5 Ų64.531%0.31234%0.336SS..G310 helixtrans-58.2-39.7-174.2-2635.9000112.5F21 E23 V85 K89 E90F21-P87 HydrophobicContact CD1-CB 4.38Å; F21-P87 HydrophobicContact CD1-CG 3.83Å; F21-P87 HydrophobicContact CE1-CG 3.87Å; E23-P87 HydrophobicContact CG-CG 3.92Å; V85-P87 HydrophobicContact CG1-CG 4.08Å; V85-P87 WeakPolarHBondContact O-CD 3.47Å; P87-K89 PolarHBondContact O-N 2.84Å; P87-K89 VanDerWaalsContact O-N 3.1Å; P87-E90 PolarHBondContact O-N 2.79Å; P87-E90 VanDerWaalsContact O-N 3.15Å
88D94.5Very high96.5Very high100 Ų10060.3 Ų60.354%0.53531%0.312SS..G310 helixtrans-63.6-17.8-179.5-62.3-21.4000113.2R59 E86R59-D88 IonicContact NH2-OD2 3.3Å; R59-D88 PolarHBondContact NH2-OD2 2.53Å; E86-D88 VanDerWaalsContact C-N 3.26Å; E86-D88 PolarHBondContact O-N 3.17Å
89K95.2Very high96.9Very high105 Ų10558 Ų5846%0.45729%0.288SS..G310 helixtrans-115.4-0.4178.8-61.8-175.2-175.2159.30113.7E86 P87 L91E86-K89 HydrophobicContact CB-CB 4.23Å; E86-K89 CarbonylContact O-C 3.58Å; E86-K89 PolarHBondContact O-N 3.39Å; E86-K89 WeakPolarHBondContact OE2-CD 3.28Å; E86-K89 WeakPolarHBondContact OE2-CE 3.46Å; E86-K89 IonicContact OE2-NZ 2.79Å; E86-K89 PolarHBondContact OE2-NZ 3.17Å; P87-K89 PolarHBondContact O-N 2.84Å; P87-K89 VanDerWaalsContact O-N 3.1Å; K89-L91 HydrophobicContact CB-CB 4.4Å; K89-L91 HydrophobicContact CB-CD1 3.97Å; K89-L91 HydrophobicContact CB-CG 3.89Å; K89-L91 HydrophobicContact CD-CD1 4.13Å; K89-L91 PolarHBondContact O-N 3.4Å
90E95.5Very high97.1Very high186 Ų18661.1 Ų61.187%0.86930%0.299SS*.THydrogen-bonded Turntrans52.732.8-172.2-54.6-175.8154.400112.9E86 P87E86-E90 PolarHBondContact O-N 3.26Å; P87-E90 PolarHBondContact O-N 2.79Å; P87-E90 VanDerWaalsContact O-N 3.15Å
91L97Very high97.3Very high74 Ų7461.9 Ų61.939%0.38729%0.294SS..EExtended strand (participates in β ladder)trans-102.4140.8178.9-64.6177.4000110.8V85 E86 K89 Y93V85-L91 WeakPolarHBondContact CA-O 3.16Å; E86-L91 HydrophobicContact CB-CB 4.31Å; E86-L91 PolarHBondContact N-O 3.07Å; E86-L91 PolarHBondContact O-N 3.03Å; K89-L91 HydrophobicContact CB-CB 4.4Å; K89-L91 HydrophobicContact CB-CD1 3.97Å; K89-L91 HydrophobicContact CB-CG 3.89Å; K89-L91 HydrophobicContact CD-CD1 4.13Å; K89-L91 PolarHBondContact O-N 3.4Å; L91-Y93 HydrophobicContact CB-CE2 4.21Å; L91-Y93 VanDerWaalsContact CD1-OH 3.3Å; L91-Y93 WeakPolarHBondContact CD1-OH 3.39Å
92M96.9Very high97.3Very high88 Ų8862.4 Ų62.443%0.43329%0.294SS..EExtended strand (participates in β ladder)trans-133.7129.4177-180178.167.200109F76 I83 V85 T94F76-M92 HydrophobicContact CD1-SD 3.53Å; F76-M92 VanDerWaalsContact CD1-SD 3.53Å; F76-M92 HydrophobicContact CE1-SD 3.84Å; I83-M92 HydrophobicContact CG2-CG 3.97Å; I83-M92 HydrophobicContact CG2-SD 4.4Å; V85-M92 HydrophobicContact CG2-CG 4.15Å; M92-T94 HydrophobicContact CE-CG2 3.9Å; M92-T94 HydrophobicContact CG-CG2 3.85Å; M92-T94 HydrophobicContact SD-CG2 4Å
93Y98Very high97.3Very high36 Ų3662.3 Ų62.314%0.14129%0.294CS..EExtended strand (participates in β ladder)trans-114.8111.9-180-48.5-79.9000108.4L84 E86 L91 E98 R102L84-Y93 HydrophobicContact CB-CD2 4.02Å; L84-Y93 HydrophobicContact CD2-CD2 3.9Å; L84-Y93 HydrophobicContact CD2-CE2 4.35Å; L84-Y93 HydrophobicContact CG-CD2 4.07Å; L84-Y93 PolarHBondContact N-O 3.09Å; L84-Y93 WeakPolarHBondContact O-CD2 3.39Å; L84-Y93 PolarHBondContact O-N 3.24Å; E86-Y93 HydrophobicContact CG-CE2 4.46Å; E86-Y93 WeakPolarHBondContact OE1-CE2 3.46Å; E86-Y93 PolarHBondContact OE1-OH 2.87Å; L91-Y93 HydrophobicContact CB-CE2 4.21Å; L91-Y93 VanDerWaalsContact CD1-OH 3.3Å; L91-Y93 WeakPolarHBondContact CD1-OH 3.39Å; Y93-E98 HydrophobicContact CD1-CB 4.04Å; Y93-R102 HydrophobicContact CE1-CB 4.32Å; Y93-R102 HydrophobicContact CE2-CB 4.24Å; Y93-R102 HydrophobicContact CE2-CG 3.86Å
94T96.6Very high97.3Very high56 Ų5665.8 Ų65.834%0.34431%0.309SS..  trans-111.8-8.9-174.655.60000113.6A79 I83 M92A79-T94 HydrophobicContact CB-CG2 3.79Å; I83-T94 HydrophobicContact CG1-CG2 4.37Å; I83-T94 HydrophobicContact CG2-CG2 4.09Å; M92-T94 HydrophobicContact CE-CG2 3.9Å; M92-T94 HydrophobicContact CG-CG2 3.85Å; M92-T94 HydrophobicContact SD-CG2 4Å
95D96.3Very high97.2Very high52 Ų5270.2 Ų70.228%0.27833%0.329SS..SBendtrans-103.4135.3172.1-177.5-71.9000109.3R97 E98 I99D95-R97 PolarHBondContact O-N 3.31Å; D95-R97 VanDerWaalsContact O-N 3.1Å; D95-R97 WeakPolarHBondContact OD1-CA 3.31Å; D95-R97 WeakPolarHBondContact OD1-CB 3.43Å; D95-R97 WeakPolarHBondContact OD1-CG 3.46Å; D95-R97 IonicContact OD1-CZ 2.74Å; D95-R97 PolarHBondContact OD1-N 3.06Å; D95-R97 IonicContact OD1-NE 3.37Å; D95-R97 PolarHBondContact OD1-NE 3.23Å; D95-R97 IonicContact OD1-NH2 3.64Å; D95-R97 IonicContact OD2-CZ 3.16Å; D95-R97 IonicContact OD2-NE 3.71Å; D95-R97 IonicContact OD2-NH2 2.74Å; D95-R97 PolarHBondContact OD2-NH2 3.37Å; D95-E98 HydrophobicContact CB-CB 4.5Å; D95-E98 HydrophobicContact CB-CG 4.07Å; D95-E98 WeakPolarHBondContact O-CA 3.42Å; D95-E98 WeakPolarHBondContact O-CB 3.32Å; D95-E98 PolarHBondContact O-N 2.93Å; D95-I99 PolarHBondContact O-N 2.81Å; D95-I99 VanDerWaalsContact O-N 3.12Å
96N97.7Very high97.1Very high46 Ų4669 Ų6925%0.24632%0.322CS..Hα-helixtrans-53.1-35.5-179.3-71.66.1000112.8F41 F45 E98 I99 E100F41-N96 VanDerWaalsContact CD1-ND2 3.27Å; F41-N96 WeakPolarHBondContact CD1-ND2 3.33Å; F41-N96 WeakPolarHBondContact CG-ND2 3.42Å; F45-N96 HydrophobicContact CE2-CB 3.97Å; F45-N96 HydrophobicContact CZ-CB 3.88Å; F45-N96 WeakPolarHBondContact CZ-O 3.24Å; N96-E98 VanDerWaalsContact C-N 3.29Å; N96-E98 PolarHBondContact O-N 3.04Å; N96-I99 PolarHBondContact O-N 3.41Å; N96-E100 WeakPolarHBondContact O-CB 3.47Å; N96-E100 PolarHBondContact O-N 3.47Å
97R97.3Very high97.1Very high166 Ų16668.9 Ų68.963%0.62632%0.322SS*.Hα-helixtrans-70.3-27.4179.2-58.6169.5-69.2178.5-3.6112.2D95 R101D95-R97 PolarHBondContact O-N 3.31Å; D95-R97 VanDerWaalsContact O-N 3.1Å; D95-R97 WeakPolarHBondContact OD1-CA 3.31Å; D95-R97 WeakPolarHBondContact OD1-CB 3.43Å; D95-R97 WeakPolarHBondContact OD1-CG 3.46Å; D95-R97 IonicContact OD1-CZ 2.74Å; D95-R97 PolarHBondContact OD1-N 3.06Å; D95-R97 IonicContact OD1-NE 3.37Å; D95-R97 PolarHBondContact OD1-NE 3.23Å; D95-R97 IonicContact OD1-NH2 3.64Å; D95-R97 IonicContact OD2-CZ 3.16Å; D95-R97 IonicContact OD2-NE 3.71Å; D95-R97 IonicContact OD2-NH2 2.74Å; D95-R97 PolarHBondContact OD2-NH2 3.37Å; R97-R101 WeakPolarHBondContact O-CB 3.4Å; R97-R101 PolarHBondContact O-N 3.24Å; R97-R101 VanDerWaalsContact O-N 3.11Å
98E97.9Very high97.1Very high75 Ų7573.4 Ų73.435%0.3534%0.337SS..Hα-helixtrans-77-41.3175.8-64.1178.5158.700111.1Y93 D95 N96 R101 R102Y93-E98 HydrophobicContact CD1-CB 4.04Å; D95-E98 HydrophobicContact CB-CB 4.5Å; D95-E98 HydrophobicContact CB-CG 4.07Å; D95-E98 WeakPolarHBondContact O-CA 3.42Å; D95-E98 WeakPolarHBondContact O-CB 3.32Å; D95-E98 PolarHBondContact O-N 2.93Å; N96-E98 VanDerWaalsContact C-N 3.29Å; N96-E98 PolarHBondContact O-N 3.04Å; E98-R101 PolarHBondContact O-N 3Å; E98-R102 PolarHBondContact O-N 3.05Å
99I98.6Very high97.1Very high0 Ų074.8 Ų74.80%034%0.34CS..Hα-helixtrans-59.3-55173.8-60.7173.7000109.7F45 P82 L84 D95 N96 R101 R102 I103F45-I99 HydrophobicContact CB-CG2 4.13Å; F45-I99 HydrophobicContact CD1-CG2 3.78Å; F45-I99 HydrophobicContact CD2-CB 4.25Å; F45-I99 HydrophobicContact CD2-CD1 4.19Å; F45-I99 HydrophobicContact CD2-CG2 3.63Å; F45-I99 HydrophobicContact CE1-CB 4.42Å; F45-I99 HydrophobicContact CE1-CG2 4.06Å; F45-I99 HydrophobicContact CE2-CB 4.03Å; F45-I99 HydrophobicContact CE2-CD1 4.1Å; F45-I99 HydrophobicContact CE2-CG2 3.91Å; F45-I99 HydrophobicContact CG-CG2 3.57Å; F45-I99 HydrophobicContact CZ-CB 4.13Å; F45-I99 HydrophobicContact CZ-CG2 4.12Å; P82-I99 HydrophobicContact CB-CD1 4.07Å; P82-I99 HydrophobicContact CG-CD1 4.1Å; P82-I99 VanDerWaalsContact O-CD1 3.3Å; P82-I99 WeakPolarHBondContact O-CD1 3.41Å; L84-I99 HydrophobicContact CB-CD1 4.36Å; L84-I99 HydrophobicContact CB-CG1 3.93Å; L84-I99 HydrophobicContact CB-CG2 4.15Å; L84-I99 HydrophobicContact CD2-CG2 4.18Å; D95-I99 PolarHBondContact O-N 2.81Å; D95-I99 VanDerWaalsContact O-N 3.12Å; N96-I99 PolarHBondContact O-N 3.41Å; I99-R101 VanDerWaalsContact C-N 3.34Å; I99-R101 PolarHBondContact O-N 3.19Å; I99-R102 PolarHBondContact O-N 3.1Å; I99-I103 HydrophobicContact CG2-CD1 3.9Å; I99-I103 WeakPolarHBondContact O-CG1 3.43Å; I99-I103 PolarHBondContact O-N 2.89Å
100E98.4Very high97Very high88 Ų8873.7 Ų73.741%0.41134%0.335SS..Hα-helixtrans-55.6-48177.8-173.3-169.19400111.1F45 N96 R102 I103 F104 F115F45-E100 HydrophobicContact CE1-CB 3.93Å; F45-E100 HydrophobicContact CZ-CB 4.39Å; N96-E100 WeakPolarHBondContact O-CB 3.47Å; N96-E100 PolarHBondContact O-N 3.47Å; E100-R102 VanDerWaalsContact C-N 3.26Å; E100-R102 PolarHBondContact O-N 3.46Å; E100-I103 PolarHBondContact O-N 2.85Å; E100-F104 VanDerWaalsContact O-CB 3.27Å; E100-F104 WeakPolarHBondContact O-CB 3.28Å; E100-F104 PolarHBondContact O-N 2.87Å; E100-F115 HydrophobicContact CG-CE1 3.85Å
101R98.2Very high97Very high133 Ų13370 Ų7050%0.50233%0.329SS..Hα-helixtrans-58.9-39178.4-175.2-176-56.2126.27.4111.6R97 E98 I99 F104 H105R97-R101 WeakPolarHBondContact O-CB 3.4Å; R97-R101 PolarHBondContact O-N 3.24Å; R97-R101 VanDerWaalsContact O-N 3.11Å; E98-R101 PolarHBondContact O-N 3Å; I99-R101 VanDerWaalsContact C-N 3.34Å; I99-R101 PolarHBondContact O-N 3.19Å; R101-F104 WeakPolarHBondContact O-CB 3.28Å; R101-H105 PolarHBondContact O-CD2 3.32Å; R101-H105 PolarHBondContact O-N 3.45Å
102R98Very high97Very high26 Ų2667.8 Ų67.810%0.09832%0.319CS..Hα-helixtrans-68.1-46.8178.9-179.753.2-178.4134.29.3111.6L84 E86 Y93 E98 I99 E100 F104 H105 I106L84-R102 HydrophobicContact CD2-CB 4.45Å; L84-R102 HydrophobicContact CD2-CG 4.3Å; E86-R102 WeakPolarHBondContact OE1-CD 3.29Å; E86-R102 WeakPolarHBondContact OE1-CG 3.42Å; E86-R102 IonicContact OE1-CZ 3.23Å; E86-R102 IonicContact OE1-NE 3.98Å; E86-R102 PolarHBondContact OE1-NE 3.4Å; E86-R102 IonicContact OE1-NH2 3.89Å; E86-R102 IonicContact OE2-CZ 3.53Å; E86-R102 IonicContact OE2-NE 2.65Å; E86-R102 PolarHBondContact OE2-NE 2.93Å; E86-R102 IonicContact OE2-NH2 3.53Å; E86-R102 PolarHBondContact OE2-NH2 3.15Å; Y93-R102 HydrophobicContact CE1-CB 4.32Å; Y93-R102 HydrophobicContact CE2-CB 4.24Å; Y93-R102 HydrophobicContact CE2-CG 3.86Å; E98-R102 PolarHBondContact O-N 3.05Å; I99-R102 PolarHBondContact O-N 3.1Å; E100-R102 VanDerWaalsContact C-N 3.26Å; E100-R102 PolarHBondContact O-N 3.46Å; R102-F104 VanDerWaalsContact C-N 3.31Å; R102-F104 PolarHBondContact O-N 3.4Å; R102-H105 PolarHBondContact O-N 3.28Å; R102-I106 HydrophobicContact CG-CD1 4.5Å; R102-I106 WeakPolarHBondContact O-CG1 3.33Å; R102-I106 PolarHBondContact O-N 3.48Å; R102-I106 VanDerWaalsContact O-N 3.15Å
103I98.3Very high96.9Very high0 Ų066.6 Ų66.60%032%0.318CS..Hα-helixtrans-61-43.2176.8-61.1172.7000110F45 E48 L49 L52 I99 E100 H105 I106 A107 L114 F115F45-I103 HydrophobicContact CB-CD1 4.19Å; F45-I103 HydrophobicContact CD1-CD1 3.91Å; F45-I103 HydrophobicContact CG-CD1 4.37Å; E48-I103 HydrophobicContact CB-CD1 4.2Å; E48-I103 HydrophobicContact CB-CG2 3.96Å; E48-I103 VanDerWaalsContact OE2-CD1 3.32Å; E48-I103 WeakPolarHBondContact OE2-CD1 3.23Å; L49-I103 HydrophobicContact CD2-CD1 4.04Å; L49-I103 HydrophobicContact CD2-CG1 3.95Å; L49-I103 HydrophobicContact CG-CD1 4.01Å; L49-I103 HydrophobicContact CG-CG1 4.47Å; L52-I103 HydrophobicContact CD1-CG2 3.86Å; I99-I103 HydrophobicContact CG2-CD1 3.9Å; I99-I103 WeakPolarHBondContact O-CG1 3.43Å; I99-I103 PolarHBondContact O-N 2.89Å; E100-I103 PolarHBondContact O-N 2.85Å; I103-H105 VanDerWaalsContact C-N 3.34Å; I103-H105 PolarHBondContact O-N 3.39Å; I103-I106 PolarHBondContact O-N 3.03Å; I103-A107 WeakPolarHBondContact O-CB 3.47Å; I103-A107 PolarHBondContact O-N 2.78Å; I103-L114 HydrophobicContact CG2-CD2 4.12Å; I103-F115 HydrophobicContact CB-CE2 4.48Å; I103-F115 HydrophobicContact CB-CZ 4.05Å; I103-F115 HydrophobicContact CG2-CE2 3.87Å; I103-F115 HydrophobicContact CG2-CZ 3.68Å
104F98.1Very high96.9Very high73 Ų7365 Ų6532%0.3231%0.312SS..Hα-helixtrans-54.6-46.5173.1173.8-94.1000112.6E100 R101 R102 I106 A107 K108 F115E100-F104 VanDerWaalsContact O-CB 3.27Å; E100-F104 WeakPolarHBondContact O-CB 3.28Å; E100-F104 PolarHBondContact O-N 2.87Å; R101-F104 WeakPolarHBondContact O-CB 3.28Å; R102-F104 VanDerWaalsContact C-N 3.31Å; R102-F104 PolarHBondContact O-N 3.4Å; F104-I106 VanDerWaalsContact C-N 3.35Å; F104-I106 PolarHBondContact O-N 3.43Å; F104-A107 PolarHBondContact O-N 2.91Å; F104-K108 HydrophobicContact CE1-CD 3.96Å; F104-K108 HydrophobicContact CZ-CD 4.01Å; F104-K108 VanDerWaalsContact O-CB 3.29Å; F104-K108 WeakPolarHBondContact O-CB 3.42Å; F104-K108 PolarHBondContact O-N 2.91Å; F104-F115 VanDerWaalsContact CA-CE2 3.42Å; F104-F115 HydrophobicContact CB-CD1 4.41Å; F104-F115 HydrophobicContact CB-CD2 4.2Å; F104-F115 HydrophobicContact CB-CE1 4.32Å; F104-F115 HydrophobicContact CB-CE2 4.08Å; F104-F115 HydrophobicContact CB-CG 4.41Å; F104-F115 HydrophobicContact CB-CZ 4.16Å; F104-F115 HydrophobicContact CD2-CB 3.65Å; F104-F115 HydrophobicContact CD2-CD1 4.11Å; F104-F115 AromaticContact CD2-CD2 3.9Å; F104-F115 HydrophobicContact CD2-CD2 3.9Å; F104-F115 AromaticContact CD2-CG 3.66Å; F104-F115 HydrophobicContact CD2-CG 3.66Å; F104-F115 HydrophobicContact CE2-CB 3.99Å; F104-F115 HydrophobicContact CE2-CG 4.48Å
105H97.4Very high96.9Very high93 Ų9364.1 Ų64.143%0.43130%0.303SS..Hα-helixtrans-62.5-41.4178.7-78.3-55.8000112.4R101 R102 I103 K108 E109R101-H105 PolarHBondContact O-CD2 3.32Å; R101-H105 PolarHBondContact O-N 3.45Å; R102-H105 PolarHBondContact O-N 3.28Å; I103-H105 VanDerWaalsContact C-N 3.34Å; I103-H105 PolarHBondContact O-N 3.39Å; H105-K108 PolarHBondContact O-N 2.89Å; H105-E109 VanDerWaalsContact O-CB 3.28Å; H105-E109 WeakPolarHBondContact O-CB 3.4Å; H105-E109 PolarHBondContact O-N 3.08Å
106I96.7Very high96.8Very high0 Ų066.3 Ų66.30%031%0.312CS..Hα-helixtrans-64.7-49.8176.3-62171.3000110L22 L52 V58 R102 I103 F104 K108 E109 F110L22-I106 HydrophobicContact CD1-CD1 3.78Å; L22-I106 HydrophobicContact CD2-CD1 4.46Å; L52-I106 HydrophobicContact CD1-CB 4.17Å; L52-I106 HydrophobicContact CD1-CG2 3.86Å; V58-I106 HydrophobicContact CG1-CD1 4.17Å; V58-I106 HydrophobicContact CG1-CG2 3.82Å; R102-I106 HydrophobicContact CG-CD1 4.5Å; R102-I106 WeakPolarHBondContact O-CG1 3.33Å; R102-I106 PolarHBondContact O-N 3.48Å; R102-I106 VanDerWaalsContact O-N 3.15Å; I103-I106 PolarHBondContact O-N 3.03Å; F104-I106 VanDerWaalsContact C-N 3.35Å; F104-I106 PolarHBondContact O-N 3.43Å; I106-K108 VanDerWaalsContact C-N 3.28Å; I106-K108 PolarHBondContact O-N 2.96Å; I106-E109 WeakPolarHBondContact O-CB 2.92Å; I106-E109 PolarHBondContact O-N 2.84Å; I106-F110 HydrophobicContact CG2-CD2 3.87Å; I106-F110 HydrophobicContact CG2-CE2 4.05Å; I106-F110 VanDerWaalsContact O-CD2 3.25Å; I106-F110 WeakPolarHBondContact O-CD2 3.21Å; I106-F110 PolarHBondContact O-N 3.14Å; I106-F110 VanDerWaalsContact O-N 3.12Å
107A97Very high96.6Very high2 Ų273.8 Ų73.82%0.01734%0.342CS..Hα-helixtrans-56.7-43.7178.500000111.4L52 I103 F104 F110 S111 V112 L114 F115L52-A107 HydrophobicContact CD2-CB 4.25Å; I103-A107 WeakPolarHBondContact O-CB 3.47Å; I103-A107 PolarHBondContact O-N 2.78Å; F104-A107 PolarHBondContact O-N 2.91Å; A107-F110 CarbonylContact O-C 3.54Å; A107-F110 PolarHBondContact O-N 2.96Å; A107-S111 PolarHBondContact O-N 3.2Å; A107-V112 HydrophobicContact CB-CB 4.18Å; A107-V112 PolarHBondContact O-N 2.75Å; A107-L114 HydrophobicContact CB-CB 4.25Å; A107-F115 HydrophobicContact CB-CD2 3.92Å; A107-F115 HydrophobicContact CB-CE2 3.91Å
108K96.2Very high96.5Very high143 Ų14367.1 Ų67.162%0.62232%0.319SS*.Hα-helixtrans-67-41.8177.8-172.7173.9-176.61770113F104 H105 I106 F110 S111F104-K108 HydrophobicContact CE1-CD 3.96Å; F104-K108 HydrophobicContact CZ-CD 4.01Å; F104-K108 VanDerWaalsContact O-CB 3.29Å; F104-K108 WeakPolarHBondContact O-CB 3.42Å; F104-K108 PolarHBondContact O-N 2.91Å; H105-K108 PolarHBondContact O-N 2.89Å; I106-K108 VanDerWaalsContact C-N 3.28Å; I106-K108 PolarHBondContact O-N 2.96Å; K108-F110 PolarHBondContact O-N 2.94Å; K108-S111 PolarHBondContact O-N 2.99Å
109E94.9Very high96.3Very high129 Ų12969 Ų6960%0.60333%0.33SS*.Hα-helixtrans-56.9-40177-177.5178.8165.900111.4H105 I106H105-E109 VanDerWaalsContact O-CB 3.28Å; H105-E109 WeakPolarHBondContact O-CB 3.4Å; H105-E109 PolarHBondContact O-N 3.08Å; I106-E109 WeakPolarHBondContact O-CB 2.92Å; I106-E109 PolarHBondContact O-N 2.84Å
110F93.3Very high96.1Very high82 Ų8273.1 Ų73.136%0.3636%0.355SS..THydrogen-bonded Turntrans-101.113.1-178.9-62.8-71.1000114.5L57 I106 A107 K108 V112L57-F110 HydrophobicContact CB-CD2 4.35Å; L57-F110 HydrophobicContact CD1-CB 3.45Å; L57-F110 VanDerWaalsContact CD1-CB 3.45Å; L57-F110 HydrophobicContact CD1-CD2 4.05Å; L57-F110 HydrophobicContact CD1-CG 3.81Å; L57-F110 HydrophobicContact CD2-CB 3.93Å; L57-F110 HydrophobicContact CD2-CD1 3.64Å; L57-F110 HydrophobicContact CD2-CD2 4.17Å; L57-F110 HydrophobicContact CD2-CE1 4.19Å; L57-F110 HydrophobicContact CD2-CG 3.64Å; L57-F110 HydrophobicContact CG-CB 4.3Å; L57-F110 HydrophobicContact CG-CD2 4.43Å; L57-F110 HydrophobicContact CG-CG 4.22Å; I106-F110 HydrophobicContact CG2-CD2 3.87Å; I106-F110 HydrophobicContact CG2-CE2 4.05Å; I106-F110 VanDerWaalsContact O-CD2 3.25Å; I106-F110 WeakPolarHBondContact O-CD2 3.21Å; I106-F110 PolarHBondContact O-N 3.14Å; I106-F110 VanDerWaalsContact O-N 3.12Å; A107-F110 CarbonylContact O-C 3.54Å; A107-F110 PolarHBondContact O-N 2.96Å; K108-F110 PolarHBondContact O-N 2.94Å; F110-V112 VanDerWaalsContact C-N 3.27Å; F110-V112 HydrophobicContact CB-CG2 4.11Å; F110-V112 PolarHBondContact O-N 3.08Å
111S94.6Very high96Very high107 Ų10768.9 Ų68.975%0.74834%0.336SS*.THydrogen-bonded Turntrans53.737.6179.2-56.10000114.7A107 K108A107-S111 PolarHBondContact O-N 3.2Å; K108-S111 PolarHBondContact O-N 2.99Å
112V96.1Very high95.9Very high28 Ų2865.7 Ų65.717%0.1733%0.329CS..  trans-86.7123175.7-173.80000109.5L52 I55 L57 A107 F110 L114L52-V112 HydrophobicContact CD2-CB 4.29Å; L52-V112 HydrophobicContact CD2-CG1 4.21Å; L52-V112 HydrophobicContact CD2-CG2 4.11Å; I55-V112 HydrophobicContact CD1-CB 4.46Å; I55-V112 HydrophobicContact CD1-CG1 4.03Å; I55-V112 HydrophobicContact CD1-CG2 3.54Å; L57-V112 HydrophobicContact CD1-CG2 3.42Å; L57-V112 VanDerWaalsContact CD1-CG2 3.42Å; A107-V112 HydrophobicContact CB-CB 4.18Å; A107-V112 PolarHBondContact O-N 2.75Å; F110-V112 VanDerWaalsContact C-N 3.27Å; F110-V112 HydrophobicContact CB-CG2 4.11Å; F110-V112 PolarHBondContact O-N 3.08Å; V112-L114 HydrophobicContact CG1-CB 4.27Å; V112-L114 PolarHBondContact O-N 2.89Å
113P95.2Very high95.8Very high63 Ų6370.9 Ų70.941%0.40935%0.352SS..THydrogen-bonded Turntrans-80.350.5-177.835.7-37.8000112.3
114L97.6Very high95.7Very high2 Ų271.8 Ų71.81%0.0136%0.358CS..THydrogen-bonded Turntrans-80.2-31.8174.8-172.263.3000111.3E48 A51 L52 I103 A107 V112 T190 M191E48-L114 HydrophobicContact CB-CD2 3.96Å; E48-L114 HydrophobicContact CG-CD2 4.2Å; A51-L114 HydrophobicContact CB-CD1 4.13Å; L52-L114 HydrophobicContact CG-CD2 4.47Å; I103-L114 HydrophobicContact CG2-CD2 4.12Å; A107-L114 HydrophobicContact CB-CB 4.25Å; V112-L114 HydrophobicContact CG1-CB 4.27Å; V112-L114 PolarHBondContact O-N 2.89Å; L114-T190 CarbonylContact O-C 3.53Å; L114-T190 WeakPolarHBondContact O-CA 3.41Å; L114-T190 WeakPolarHBondContact O-CB 3.3Å; L114-M191 VanDerWaalsContact O-CE 3.23Å; L114-M191 WeakPolarHBondContact O-CE 3.48Å; L114-M191 PolarHBondContact O-N 2.89Å
115F97.3Very high95.7Very high39 Ų3968.4 Ų68.417%0.17134%0.343CS..  trans-74.973.7176.2-3.2-133.3000122.3E100 I103 F104 A107 M191E100-F115 HydrophobicContact CG-CE1 3.85Å; I103-F115 HydrophobicContact CB-CE2 4.48Å; I103-F115 HydrophobicContact CB-CZ 4.05Å; I103-F115 HydrophobicContact CG2-CE2 3.87Å; I103-F115 HydrophobicContact CG2-CZ 3.68Å; F104-F115 VanDerWaalsContact CA-CE2 3.42Å; F104-F115 HydrophobicContact CB-CD1 4.41Å; F104-F115 HydrophobicContact CB-CD2 4.2Å; F104-F115 HydrophobicContact CB-CE1 4.32Å; F104-F115 HydrophobicContact CB-CE2 4.08Å; F104-F115 HydrophobicContact CB-CG 4.41Å; F104-F115 HydrophobicContact CB-CZ 4.16Å; F104-F115 HydrophobicContact CD2-CB 3.65Å; F104-F115 HydrophobicContact CD2-CD1 4.11Å; F104-F115 AromaticContact CD2-CD2 3.9Å; F104-F115 HydrophobicContact CD2-CD2 3.9Å; F104-F115 AromaticContact CD2-CG 3.66Å; F104-F115 HydrophobicContact CD2-CG 3.66Å; F104-F115 HydrophobicContact CE2-CB 3.99Å; F104-F115 HydrophobicContact CE2-CG 4.48Å; A107-F115 HydrophobicContact CB-CD2 3.92Å; A107-F115 HydrophobicContact CB-CE2 3.91Å; F115-M191 VanDerWaalsContact CA-CE 3.43Å; F115-M191 HydrophobicContact CB-CE 3.18Å; F115-M191 HydrophobicContact CD1-CB 4.27Å; F115-M191 HydrophobicContact CD1-CE 3.37Å; F115-M191 HydrophobicContact CE1-CB 4.31Å; F115-M191 HydrophobicContact CE1-CE 4.42Å; F115-M191 HydrophobicContact CG-CE 3.53Å
116E93.5Very high95.7Very high97 Ų9769.4 Ų69.445%0.45335%0.348SS..  trans-111.2159.5175.3-66.8-59.1155.300115.2T190 M191 Y192E116-T190 HydrophobicContact CG-CG2 4.16Å; E116-M191 VanDerWaalsContact O-CE 3.28Å; E116-M191 WeakPolarHBondContact O-CE 3.23Å; E116-Y192 HydrophobicContact CB-CE2 4.46Å
117K93.6Very high95.8Very high203 Ų20370.2 Ų70.288%0.88335%0.354SS*.  trans-116.8115.2174.2-73.9-168.8177.1-1740111.4
118D95.7Very high95.9Very high26 Ų2670.1 Ų70.114%0.13935%0.353CS..  trans-145.594.6178.1-170.7-23.4000111.1T120 V121 D122 R179 V185 Y192D118-T120 PolarHBondContact O-N 3.47Å; D118-T120 VanDerWaalsContact O-N 3.13Å; D118-T120 WeakPolarHBondContact OD1-CB 3.3Å; D118-T120 PolarHBondContact OD1-N 3.11Å; D118-V121 HydrophobicContact CB-CB 3.97Å; D118-V121 HydrophobicContact CB-CG2 4.04Å; D118-V121 VanDerWaalsContact CG-CG2 3.44Å; D118-V121 WeakPolarHBondContact O-CB 3.29Å; D118-V121 PolarHBondContact O-N 3.34Å; D118-V121 PolarHBondContact OD1-N 3.1Å; D118-V121 VanDerWaalsContact OD2-CG2 3.27Å; D118-V121 WeakPolarHBondContact OD2-CG2 3.41Å; D118-D122 PolarHBondContact O-N 3.27Å; D118-R179 IonicContact OD1-NH2 3.12Å; D118-R179 IonicContact OD2-CZ 3.51Å; D118-R179 VanDerWaalsContact OD2-CZ 3.3Å; D118-R179 IonicContact OD2-NH1 3.63Å; D118-R179 PolarHBondContact OD2-NH1 3.29Å; D118-R179 VanDerWaalsContact OD2-NH1 3.12Å; D118-R179 IonicContact OD2-NH2 3.68Å; D118-R179 PolarHBondContact OD2-NH2 3.29Å; D118-V185 HydrophobicContact CB-CG1 4.19Å; D118-Y192 HydrophobicContact CB-CE2 3.69Å; D118-Y192 PolarHBondContact N-OH 2.93Å; D118-Y192 PolarHBondContact O-OH 3.16Å
119I94.7Very high95.9Very high115 Ų11564.5 Ų64.559%0.5933%0.328SS*.Hα-helixtrans-60.4-27.8-177.9-60.2168000111.8K123I119-K123 HydrophobicContact CG2-CD 4.18Å; I119-K123 WeakPolarHBondContact O-CG 3.48Å; I119-K123 PolarHBondContact O-N 3.47Å
120T93.9Very high96.1Very high86 Ų8664 Ų6453%0.52832%0.321SS..Hα-helixtrans-70.2-42.4178.6-54.80000109.9D118 S124D118-T120 PolarHBondContact O-N 3.47Å; D118-T120 VanDerWaalsContact O-N 3.13Å; D118-T120 WeakPolarHBondContact OD1-CB 3.3Å; D118-T120 PolarHBondContact OD1-N 3.11Å; T120-S124 WeakPolarHBondContact O-CB 3.38Å; T120-S124 PolarHBondContact O-N 3.38Å; T120-S124 VanDerWaalsContact O-N 3.13Å; T120-S124 PolarHBondContact O-OG 3.11Å
121V95.9Very high96.4Very high0 Ų061.1 Ų61.10%031%0.309CS..Hα-helixtrans-65.6-49.5175.6169.20000110.9D118 K123 S124 I125 L175 L184 V185 Y192D118-V121 HydrophobicContact CB-CB 3.97Å; D118-V121 HydrophobicContact CB-CG2 4.04Å; D118-V121 VanDerWaalsContact CG-CG2 3.44Å; D118-V121 WeakPolarHBondContact O-CB 3.29Å; D118-V121 PolarHBondContact O-N 3.34Å; D118-V121 PolarHBondContact OD1-N 3.1Å; D118-V121 VanDerWaalsContact OD2-CG2 3.27Å; D118-V121 WeakPolarHBondContact OD2-CG2 3.41Å; V121-K123 VanDerWaalsContact C-N 3.32Å; V121-K123 PolarHBondContact O-N 3.23Å; V121-S124 WeakPolarHBondContact O-CB 3.49Å; V121-S124 PolarHBondContact O-N 3.37Å; V121-I125 HydrophobicContact CG1-CD1 3.63Å; V121-I125 HydrophobicContact CG1-CG1 4.21Å; V121-I125 WeakPolarHBondContact O-CG1 3.45Å; V121-I125 PolarHBondContact O-N 2.83Å; V121-L175 HydrophobicContact CG2-CD2 4.11Å; V121-L184 HydrophobicContact CB-CD2 4.42Å; V121-L184 HydrophobicContact CG1-CD2 3.39Å; V121-L184 HydrophobicContact CG1-CG 4.25Å; V121-L184 HydrophobicContact CG2-CD2 4.17Å; V121-L184 HydrophobicContact CG2-CG 4.18Å; V121-V185 HydrophobicContact CG2-CG1 4.25Å; V121-Y192 HydrophobicContact CB-CD2 4.34Å; V121-Y192 HydrophobicContact CB-CE2 4.4Å; V121-Y192 HydrophobicContact CB-CG 4.38Å; V121-Y192 HydrophobicContact CG1-CD1 3.52Å; V121-Y192 HydrophobicContact CG1-CD2 3.76Å; V121-Y192 HydrophobicContact CG1-CE1 4.04Å; V121-Y192 HydrophobicContact CG1-CE2 4.2Å; V121-Y192 HydrophobicContact CG1-CG 3.37Å
122D95.2Very high96.5Very high66 Ų6656 Ų5635%0.35327%0.274SS..Hα-helixtrans-46.7-55.5177.3-68.2-24.6000111.2D118 S124 I125 E126 Y192D118-D122 PolarHBondContact O-N 3.27Å; D122-S124 VanDerWaalsContact C-N 3.3Å; D122-S124 PolarHBondContact O-N 2.92Å; D122-I125 PolarHBondContact O-N 3.2Å; D122-E126 PolarHBondContact O-N 3.38Å; D122-E126 VanDerWaalsContact O-N 3.08Å; D122-Y192 WeakPolarHBondContact OD1-CE1 3.34Å; D122-Y192 VanDerWaalsContact OD1-CZ 3.24Å; D122-Y192 PolarHBondContact OD1-OH 3.46Å
123K96.6Very high96.6Very high135 Ų13559.5 Ų59.559%0.58729%0.286SS*.Hα-helixtrans-65.3-34.2-177.9-71.6176.9179.6176.80112.6I119 V121 S127I119-K123 HydrophobicContact CG2-CD 4.18Å; I119-K123 WeakPolarHBondContact O-CG 3.48Å; I119-K123 PolarHBondContact O-N 3.47Å; V121-K123 VanDerWaalsContact C-N 3.32Å; V121-K123 PolarHBondContact O-N 3.23Å; K123-S127 WeakPolarHBondContact O-CB 3.36Å; K123-S127 PolarHBondContact O-N 2.95Å
124S97.1Very high96.8Very high19 Ų1960.2 Ų60.213%0.13329%0.289CS..Hα-helixtrans-68.1-44.3179.9-61.70000110.9T120 V121 D122 L128T120-S124 WeakPolarHBondContact O-CB 3.38Å; T120-S124 PolarHBondContact O-N 3.38Å; T120-S124 VanDerWaalsContact O-N 3.13Å; T120-S124 PolarHBondContact O-OG 3.11Å; V121-S124 WeakPolarHBondContact O-CB 3.49Å; V121-S124 PolarHBondContact O-N 3.37Å; D122-S124 VanDerWaalsContact C-N 3.3Å; D122-S124 PolarHBondContact O-N 2.92Å; S124-L128 VanDerWaalsContact O-CB 3.28Å; S124-L128 WeakPolarHBondContact O-CB 3.36Å; S124-L128 PolarHBondContact O-N 2.87Å
125I98.1Very high96.8Very high1 Ų160.2 Ų60.21%0.00529%0.289CS..Hα-helixtrans-66.4-47.5179.1-58.7171.7000110.6V121 D122 S127 L128 Y129 L184 Y192 E195 L196V121-I125 HydrophobicContact CG1-CD1 3.63Å; V121-I125 HydrophobicContact CG1-CG1 4.21Å; V121-I125 WeakPolarHBondContact O-CG1 3.45Å; V121-I125 PolarHBondContact O-N 2.83Å; D122-I125 PolarHBondContact O-N 3.2Å; I125-S127 PolarHBondContact O-N 2.95Å; I125-L128 PolarHBondContact O-N 2.87Å; I125-Y129 PolarHBondContact O-N 3.07Å; I125-Y129 VanDerWaalsContact O-N 3.1Å; I125-L184 HydrophobicContact CD1-CD2 4.27Å; I125-Y192 HydrophobicContact CD1-CD1 4.04Å; I125-E195 HydrophobicContact CD1-CB 4.25Å; I125-E195 HydrophobicContact CG2-CB 4.44Å; I125-E195 VanDerWaalsContact CG2-CD 3.44Å; I125-E195 HydrophobicContact CG2-CG 3.76Å; I125-E195 WeakPolarHBondContact CG2-OE1 3.41Å; I125-L196 HydrophobicContact CD1-CB 4.01Å; I125-L196 HydrophobicContact CG1-CB 4.11Å; I125-L196 HydrophobicContact CG1-CD1 4.2Å
126E97.1Very high96.7Very high115 Ų11558.6 Ų58.654%0.53728%0.282SS..Hα-helixtrans-58.4-49177.5-169.5-152.1136.300111.1D122 Y129 R130D122-E126 PolarHBondContact O-N 3.38Å; D122-E126 VanDerWaalsContact O-N 3.08Å; E126-Y129 PolarHBondContact O-N 3.37Å; E126-R130 VanDerWaalsContact O-CB 3.26Å; E126-R130 WeakPolarHBondContact O-CB 3.33Å; E126-R130 PolarHBondContact O-N 3.07Å; E126-R130 IonicContact OE1-NH1 3.41Å; E126-R130 PolarHBondContact OE1-NH1 2.67Å; E126-R130 VanDerWaalsContact OE1-NH1 3.16Å
127S97.8Very high96.9Very high16 Ų1660.6 Ų60.611%0.11229%0.286CS..Hα-helixtrans-65.5-42.3-178.4-173.60000112K123 I125 R130 N131 Q168K123-S127 WeakPolarHBondContact O-CB 3.36Å; K123-S127 PolarHBondContact O-N 2.95Å; I125-S127 PolarHBondContact O-N 2.95Å; S127-R130 PolarHBondContact OG-NH2 2.76Å; S127-N131 WeakPolarHBondContact O-CB 3.3Å; S127-N131 PolarHBondContact O-N 2.74Å; S127-N131 PolarHBondContact O-ND2 3.05Å; S127-N131 PolarHBondContact OG-ND2 3.06Å; S127-Q168 VanDerWaalsContact OG-CD 3.24Å; S127-Q168 PolarHBondContact OG-OE1 3.38Å
128L98.7Very high97Very high0 Ų052.3 Ų52.30%026%0.255CS..Hα-helixtrans-54.9-56.1175.2173.368.8000110.7S124 I125 R130 N131 F132 L165 Q168 L169 I172 L196 L200 I203S124-L128 VanDerWaalsContact O-CB 3.28Å; S124-L128 WeakPolarHBondContact O-CB 3.36Å; S124-L128 PolarHBondContact O-N 2.87Å; I125-L128 PolarHBondContact O-N 2.87Å; L128-R130 PolarHBondContact O-N 3.14Å; L128-N131 PolarHBondContact O-N 2.83Å; L128-F132 PolarHBondContact O-N 3.31Å; L128-L165 HydrophobicContact CD1-CD1 3.88Å; L128-Q168 HydrophobicContact CB-CB 4.22Å; L128-Q168 HydrophobicContact CD1-CB 3.85Å; L128-L169 HydrophobicContact CD1-CD2 3.6Å; L128-L169 HydrophobicContact CD1-CG 3.77Å; L128-L169 HydrophobicContact CD2-CD2 4.49Å; L128-I172 HydrophobicContact CB-CD1 4.07Å; L128-I172 HydrophobicContact CD1-CD1 4.4Å; L128-I172 HydrophobicContact CD2-CD1 3.62Å; L128-I172 HydrophobicContact CG-CD1 4.22Å; L128-L196 HydrophobicContact CD2-CD1 3.67Å; L128-L200 HydrophobicContact CD2-CD2 3.83Å; L128-L200 HydrophobicContact CD2-CG 4.45Å; L128-I203 HydrophobicContact CD1-CD1 3.91Å; L128-I203 HydrophobicContact CD2-CD1 3.72Å; L128-I203 HydrophobicContact CG-CD1 3.71Å
129Y98.1Very high96.9Very high26 Ų2651.6 Ų51.610%0.10225%0.251CS..Hα-helixtrans-71.2-33.1-172.3-166.3-115000112.4L40 I125 E126 F132 K133 R199 Y249L40-Y129 HydrophobicContact CD1-CD1 4.29Å; L40-Y129 HydrophobicContact CD1-CD2 4.42Å; L40-Y129 HydrophobicContact CD1-CE1 3.57Å; L40-Y129 HydrophobicContact CD1-CE2 3.73Å; L40-Y129 VanDerWaalsContact CD1-OH 3.3Å; L40-Y129 WeakPolarHBondContact CD1-OH 3.34Å; I125-Y129 PolarHBondContact O-N 3.07Å; I125-Y129 VanDerWaalsContact O-N 3.1Å; E126-Y129 PolarHBondContact O-N 3.37Å; Y129-F132 HydrophobicContact CD2-CD1 4.08Å; Y129-F132 AromaticContact CE2-CD1 3.82Å; Y129-F132 HydrophobicContact CE2-CD1 3.82Å; Y129-F132 HydrophobicContact CE2-CE1 4.3Å; Y129-F132 PolarHBondContact O-N 3.32Å; Y129-K133 HydrophobicContact CD1-CD 4.38Å; Y129-K133 HydrophobicContact CE1-CD 3.93Å; Y129-K133 HydrophobicContact CE1-CG 4.32Å; Y129-K133 WeakPolarHBondContact O-CG 3.48Å; Y129-K133 PolarHBondContact O-N 2.99Å; Y129-K133 VanDerWaalsContact O-N 3.11Å; Y129-R199 HydrophobicContact CD2-CB 4.04Å; Y129-R199 HydrophobicContact CD2-CG 3.81Å; Y129-R199 HydrophobicContact CE2-CG 4.28Å; Y129-R199 HydrophobicContact CG-CG 4.06Å; Y129-Y249 WeakPolarHBondContact CE2-OH 3.42Å; Y129-Y249 PolarHBondContact OH-OH 3.04Å
130R98.3Very high96.8Very high117 Ų11746.5 Ų46.544%0.44223%0.225SC..Hα-helixtrans-58.7-50.2169.8179.3-179.962.4-140.6-2.8111.4E126 S127 L128 F132 K133 V134E126-R130 VanDerWaalsContact O-CB 3.26Å; E126-R130 WeakPolarHBondContact O-CB 3.33Å; E126-R130 PolarHBondContact O-N 3.07Å; E126-R130 IonicContact OE1-NH1 3.41Å; E126-R130 PolarHBondContact OE1-NH1 2.67Å; E126-R130 VanDerWaalsContact OE1-NH1 3.16Å; S127-R130 PolarHBondContact OG-NH2 2.76Å; L128-R130 PolarHBondContact O-N 3.14Å; R130-F132 VanDerWaalsContact C-N 3.33Å; R130-F132 PolarHBondContact O-N 3.34Å; R130-K133 PolarHBondContact O-N 2.86Å; R130-V134 WeakPolarHBondContact O-CG2 3.39Å; R130-V134 PolarHBondContact O-N 2.89Å; R130-V134 VanDerWaalsContact O-N 3.1Å
131N98.6Very high96.7Very high23 Ų2344.4 Ų44.412%0.12321%0.211CC..Hα-helixtrans-66.7-34.7-178.9-76.8-68.9000112.2S127 L128 V134 F135 K164 Q168S127-N131 WeakPolarHBondContact O-CB 3.3Å; S127-N131 PolarHBondContact O-N 2.74Å; S127-N131 PolarHBondContact O-ND2 3.05Å; S127-N131 PolarHBondContact OG-ND2 3.06Å; L128-N131 PolarHBondContact O-N 2.83Å; N131-V134 PolarHBondContact O-N 3.49Å; N131-F135 WeakPolarHBondContact O-CB 3.37Å; N131-F135 PolarHBondContact O-N 2.88Å; N131-K164 WeakPolarHBondContact OD1-CB 3.44Å; N131-Q168 HydrophobicContact CB-CG 4.3Å
132F98.5Very high96.6Very high0 Ų047.4 Ų47.40%022%0.223CC..Hα-helixtrans-58.9-48.9171.3171.7-117.4000112.1L128 Y129 R130 V134 F135 L136 L165 I203 A206 Y249L128-F132 PolarHBondContact O-N 3.31Å; Y129-F132 HydrophobicContact CD2-CD1 4.08Å; Y129-F132 AromaticContact CE2-CD1 3.82Å; Y129-F132 HydrophobicContact CE2-CD1 3.82Å; Y129-F132 HydrophobicContact CE2-CE1 4.3Å; Y129-F132 PolarHBondContact O-N 3.32Å; R130-F132 VanDerWaalsContact C-N 3.33Å; R130-F132 PolarHBondContact O-N 3.34Å; F132-V134 VanDerWaalsContact C-N 3.3Å; F132-V134 PolarHBondContact O-N 3.31Å; F132-F135 PolarHBondContact O-N 3.41Å; F132-L136 HydrophobicContact CE1-CD2 4.35Å; F132-L136 HydrophobicContact CE2-CD1 4.42Å; F132-L136 HydrophobicContact CZ-CD1 4.27Å; F132-L136 HydrophobicContact CZ-CD2 4.17Å; F132-L136 WeakPolarHBondContact O-CB 3.42Å; F132-L136 PolarHBondContact O-N 3.4Å; F132-L165 HydrophobicContact CB-CD1 3.89Å; F132-L165 HydrophobicContact CD2-CD2 4.04Å; F132-I203 HydrophobicContact CB-CD1 4.17Å; F132-I203 HydrophobicContact CB-CG1 3.86Å; F132-I203 HydrophobicContact CD1-CG1 3.79Å; F132-I203 HydrophobicContact CD2-CB 4.28Å; F132-I203 HydrophobicContact CD2-CG1 3.7Å; F132-I203 HydrophobicContact CD2-CG2 4.26Å; F132-I203 HydrophobicContact CE1-CG1 4.25Å; F132-I203 HydrophobicContact CE2-CB 4.39Å; F132-I203 HydrophobicContact CE2-CG1 4.18Å; F132-I203 HydrophobicContact CE2-CG2 4.49Å; F132-I203 HydrophobicContact CG-CD1 4.34Å; F132-I203 HydrophobicContact CG-CG1 3.49Å; F132-I203 VanDerWaalsContact CG-CG1 3.49Å; F132-I203 HydrophobicContact CZ-CG1 4.44Å; F132-A206 HydrophobicContact CZ-CB 4.05Å; F132-Y249 AromaticContact CE1-CE1 3.77Å; F132-Y249 HydrophobicContact CE1-CE1 3.77Å; F132-Y249 HydrophobicContact CE1-CE2 4.47Å; F132-Y249 AromaticContact CE1-CZ 3.76Å
133K98Very high96.3Very high101 Ų10146.6 Ų46.644%0.43922%0.217SC..Hα-helixtrans-61.4-38177.8-71.2-173.2-63.1-178.70112.7Y129 R130 R137Y129-K133 HydrophobicContact CD1-CD 4.38Å; Y129-K133 HydrophobicContact CE1-CD 3.93Å; Y129-K133 HydrophobicContact CE1-CG 4.32Å; Y129-K133 WeakPolarHBondContact O-CG 3.48Å; Y129-K133 PolarHBondContact O-N 2.99Å; Y129-K133 VanDerWaalsContact O-N 3.11Å; R130-K133 PolarHBondContact O-N 2.86Å; K133-R137 WeakPolarHBondContact O-CB 3.16Å; K133-R137 PolarHBondContact O-N 2.87Å
134V98Very high95.9Very high77 Ų7747.2 Ų47.247%0.46722%0.215SC..Hα-helixtrans-64.3-47.1175.5173.90000110.6R130 N131 F132 R137 A138 A161R130-V134 WeakPolarHBondContact O-CG2 3.39Å; R130-V134 PolarHBondContact O-N 2.89Å; R130-V134 VanDerWaalsContact O-N 3.1Å; N131-V134 PolarHBondContact O-N 3.49Å; F132-V134 VanDerWaalsContact C-N 3.3Å; F132-V134 PolarHBondContact O-N 3.31Å; V134-R137 PolarHBondContact O-N 3.47Å; V134-A138 WeakPolarHBondContact O-CB 3.34Å; V134-A138 PolarHBondContact O-N 3.39Å; V134-A161 HydrophobicContact CG1-CB 4.04Å
135F97.8Very high95.5Very high3 Ų353.1 Ų53.11%0.01324%0.241CC..Hα-helixtrans-59.8-49.2176.1167.4-108.5000112.2N131 F132 R137 A138 K139 V158 A161 Y162 L165 C211 F213N131-F135 WeakPolarHBondContact O-CB 3.37Å; N131-F135 PolarHBondContact O-N 2.88Å; F132-F135 PolarHBondContact O-N 3.41Å; F135-R137 VanDerWaalsContact C-N 3.32Å; F135-R137 PolarHBondContact O-N 3.49Å; F135-A138 PolarHBondContact O-N 2.96Å; F135-K139 HydrophobicContact CE2-CB 4.34Å; F135-K139 WeakPolarHBondContact O-CB 3.48Å; F135-K139 PolarHBondContact O-N 3.23Å; F135-V158 HydrophobicContact CD2-CG1 3.84Å; F135-V158 HydrophobicContact CE2-CG1 3.74Å; F135-A161 HydrophobicContact CB-CB 4.14Å; F135-Y162 HydrophobicContact CD2-CD2 4.5Å; F135-Y162 AromaticContact CE2-CD2 3.89Å; F135-Y162 HydrophobicContact CE2-CD2 3.89Å; F135-Y162 HydrophobicContact CE2-CG 4.37Å; F135-Y162 HydrophobicContact CZ-CD2 4.17Å; F135-L165 HydrophobicContact CB-CD2 4.28Å; F135-L165 HydrophobicContact CD1-CD2 3.71Å; F135-L165 HydrophobicContact CE1-CD2 4.37Å; F135-L165 HydrophobicContact CG-CD2 4.13Å; F135-C211 HydrophobicContact CE1-CB 3.87Å; F135-C211 HydrophobicContact CZ-CB 3.99Å; F135-F213 HydrophobicContact CE1-CB 3.72Å; F135-F213 AromaticContact CE1-CD2 4Å; F135-F213 HydrophobicContact CE1-CD2 4Å; F135-F213 AromaticContact CE1-CG 3.93Å; F135-F213 HydrophobicContact CE1-CG 3.93Å; F135-F213 HydrophobicContact CZ-CB 4.04Å; F135-F213 HydrophobicContact CZ-CD2 4.17Å; F135-F213 HydrophobicContact CZ-CG 4.4Å
136L96.4Very high95Very high4 Ų456.9 Ų56.92%0.02126%0.261CS..Hα-helixtrans-57.7-45.3-179.3-170.873.4000111.3F132 T140 L210 Y249 L253F132-L136 HydrophobicContact CE1-CD2 4.35Å; F132-L136 HydrophobicContact CE2-CD1 4.42Å; F132-L136 HydrophobicContact CZ-CD1 4.27Å; F132-L136 HydrophobicContact CZ-CD2 4.17Å; F132-L136 WeakPolarHBondContact O-CB 3.42Å; F132-L136 PolarHBondContact O-N 3.4Å; L136-T140 WeakPolarHBondContact O-CB 3.33Å; L136-T140 WeakPolarHBondContact O-CG2 3.48Å; L136-T140 PolarHBondContact O-N 3.32Å; L136-T140 VanDerWaalsContact O-N 3.1Å; L136-T140 PolarHBondContact O-OG1 3.43Å; L136-L210 HydrophobicContact CD1-CB 3.98Å; L136-L210 HydrophobicContact CD1-CD1 4Å; L136-Y249 HydrophobicContact CD2-CD1 3.48Å; L136-Y249 VanDerWaalsContact CD2-CD1 3.48Å; L136-Y249 HydrophobicContact CD2-CE1 4.18Å; L136-Y249 HydrophobicContact CD2-CG 4.02Å; L136-L253 HydrophobicContact CD2-CD1 3.71Å; L136-L253 HydrophobicContact CG-CD1 3.75Å
137R96.3Very high93.8Very high139 Ų13960 Ų6053%0.52528%0.276SS..Hα-helixtrans-65.2-49.1175.4-179.9172.2-72-108.5-1.5112.1K133 V134 F135 K139 T140 D141 L253K133-R137 WeakPolarHBondContact O-CB 3.16Å; K133-R137 PolarHBondContact O-N 2.87Å; V134-R137 PolarHBondContact O-N 3.47Å; F135-R137 VanDerWaalsContact C-N 3.32Å; F135-R137 PolarHBondContact O-N 3.49Å; R137-K139 VanDerWaalsContact C-N 3.31Å; R137-K139 PolarHBondContact O-N 3Å; R137-T140 PolarHBondContact O-N 2.98Å; R137-T140 PolarHBondContact O-OG1 3.24Å; R137-D141 VanDerWaalsContact CG-OD2 3.24Å; R137-D141 WeakPolarHBondContact CG-OD2 3.44Å; R137-D141 WeakPolarHBondContact O-CB 3.4Å; R137-D141 PolarHBondContact O-N 3.08Å; R137-L253 HydrophobicContact CB-CD2 4.43Å
138A95.4Very high92.3Very high30 Ų3065.5 Ų65.525%0.24830%0.299CS..Hα-helixtrans-58.4-42.9-17900000112.4V134 F135 Y142 V158 A161V134-A138 WeakPolarHBondContact O-CB 3.34Å; V134-A138 PolarHBondContact O-N 3.39Å; F135-A138 PolarHBondContact O-N 2.96Å; A138-Y142 WeakPolarHBondContact O-CB 3.33Å; A138-Y142 PolarHBondContact O-N 3.38Å; A138-Y142 VanDerWaalsContact O-N 3.15Å; A138-V158 HydrophobicContact CB-CG1 4.35Å; A138-A161 HydrophobicContact CB-CB 4.28Å
139K94Very high90.7Very high10 Ų1070.1 Ų70.14%0.04333%0.329CS..Hα-helixtrans-69.1-44178.9-177.460.5171.71730112.2F135 R137 Y142 E143 S150 V158 C211F135-K139 HydrophobicContact CE2-CB 4.34Å; F135-K139 WeakPolarHBondContact O-CB 3.48Å; F135-K139 PolarHBondContact O-N 3.23Å; R137-K139 VanDerWaalsContact C-N 3.31Å; R137-K139 PolarHBondContact O-N 3Å; K139-Y142 PolarHBondContact O-N 3.4Å; K139-E143 WeakPolarHBondContact CE-OE1 3.49Å; K139-E143 IonicContact NZ-OE1 2.75Å; K139-E143 WeakPolarHBondContact O-CG 3.34Å; K139-E143 PolarHBondContact O-N 2.94Å; K139-E143 VanDerWaalsContact O-N 3.08Å; K139-S150 PolarHBondContact NZ-OG 3.45Å; K139-V158 HydrophobicContact CB-CG1 3.97Å; K139-V158 HydrophobicContact CD-CG1 4.36Å; K139-C211 HydrophobicContact CB-CB 4.36Å; K139-C211 VanDerWaalsContact CB-SG 3.6Å; K139-C211 HydrophobicContact CG-CB 3.75Å; K139-C211 WeakPolarHBondContact CG-SG 3.4Å
140T92.5Very high89Confident8 Ų870.1 Ų70.15%0.04933%0.333CS..Hα-helixtrans-72.1-34.5-179.451.70000113.1L136 R137 E143 R144 L253 L255L136-T140 WeakPolarHBondContact O-CB 3.33Å; L136-T140 WeakPolarHBondContact O-CG2 3.48Å; L136-T140 PolarHBondContact O-N 3.32Å; L136-T140 VanDerWaalsContact O-N 3.1Å; L136-T140 PolarHBondContact O-OG1 3.43Å; R137-T140 PolarHBondContact O-N 2.98Å; R137-T140 PolarHBondContact O-OG1 3.24Å; T140-E143 PolarHBondContact O-N 2.9Å; T140-R144 WeakPolarHBondContact O-CB 3.49Å; T140-R144 PolarHBondContact O-N 3.37Å; T140-L253 HydrophobicContact CG2-CD1 4.15Å; T140-L255 HydrophobicContact CG2-CD1 4.05Å
141D92.9Very high87Confident42 Ų4269.8 Ų69.823%0.22535%0.346CS..Hα-helixtrans-64.2-43.5171.7-74.2-27.9000110.9R137 E143 R144 E145R137-D141 VanDerWaalsContact CG-OD2 3.24Å; R137-D141 WeakPolarHBondContact CG-OD2 3.44Å; R137-D141 WeakPolarHBondContact O-CB 3.4Å; R137-D141 PolarHBondContact O-N 3.08Å; D141-E143 PolarHBondContact O-N 2.67Å; D141-R144 PolarHBondContact O-N 3.04Å; D141-R144 IonicContact OD1-CZ 2.78Å; D141-R144 IonicContact OD1-NH1 2.72Å; D141-R144 PolarHBondContact OD1-NH1 3.27Å; D141-R144 IonicContact OD1-NH2 3.18Å; D141-R144 PolarHBondContact OD1-NH2 2.91Å; D141-E145 WeakPolarHBondContact O-CG 3.31Å; D141-E145 PolarHBondContact O-N 2.86Å; D141-E145 VanDerWaalsContact O-N 3.1Å
142Y92.8Very high85.5Confident64 Ų6475.8 Ų75.825%0.25138%0.383SS..Hα-helixtrans-58.7-46.3174.9176.8-87.8000112.4A138 K139 R144 E145 N146 S150 P155 S157 V158A138-Y142 WeakPolarHBondContact O-CB 3.33Å; A138-Y142 PolarHBondContact O-N 3.38Å; A138-Y142 VanDerWaalsContact O-N 3.15Å; K139-Y142 PolarHBondContact O-N 3.4Å; Y142-R144 VanDerWaalsContact C-N 3.32Å; Y142-R144 PolarHBondContact O-N 3.4Å; Y142-E145 PolarHBondContact O-N 2.83Å; Y142-N146 WeakPolarHBondContact CD2-ND2 3.49Å; Y142-N146 HydrophobicContact CE1-CB 4.36Å; Y142-N146 VanDerWaalsContact CE2-ND2 3.32Å; Y142-N146 WeakPolarHBondContact CE2-ND2 3.35Å; Y142-N146 PolarHBondContact O-N 2.8Å; Y142-N146 VanDerWaalsContact O-N 3.09Å; Y142-N146 PolarHBondContact O-ND2 3.46Å; Y142-S150 WeakPolarHBondContact CE1-OG 3.22Å; Y142-P155 HydrophobicContact CD1-CB 4Å; Y142-P155 HydrophobicContact CD1-CG 3.44Å; Y142-P155 VanDerWaalsContact CD1-CG 3.44Å; Y142-P155 HydrophobicContact CD2-CB 3.88Å; Y142-P155 HydrophobicContact CD2-CG 4.25Å; Y142-P155 HydrophobicContact CE1-CB 3.75Å; Y142-P155 HydrophobicContact CE1-CG 3.3Å; Y142-P155 HydrophobicContact CE2-CB 3.62Å; Y142-P155 HydrophobicContact CE2-CG 4.14Å; Y142-P155 HydrophobicContact CG-CB 4.06Å; Y142-P155 HydrophobicContact CG-CG 3.93Å; Y142-S157 WeakPolarHBondContact CD2-OG 3.5Å; Y142-V158 HydrophobicContact CG-CG2 4.36Å
143E89.4Confident84.5Confident49 Ų4978.4 Ų78.423%0.22941%0.41CS..Hα-helixtrans-65.7-35.1-180-72.1178.2171.500112.3K139 T140 D141 E145 E147K139-E143 WeakPolarHBondContact CE-OE1 3.49Å; K139-E143 IonicContact NZ-OE1 2.75Å; K139-E143 WeakPolarHBondContact O-CG 3.34Å; K139-E143 PolarHBondContact O-N 2.94Å; K139-E143 VanDerWaalsContact O-N 3.08Å; T140-E143 PolarHBondContact O-N 2.9Å; D141-E143 PolarHBondContact O-N 2.67Å; E143-E145 VanDerWaalsContact C-N 3.35Å; E143-E147 PolarHBondContact O-N 2.96Å
144R88Confident84.1Confident147 Ų14776 Ų7656%0.55540%0.404SS*.Hα-helixtrans-64.7-38.9174.7-173.5177.666.2-127.3-8.9112T140 D141 Y142T140-R144 WeakPolarHBondContact O-CB 3.49Å; T140-R144 PolarHBondContact O-N 3.37Å; D141-R144 PolarHBondContact O-N 3.04Å; D141-R144 IonicContact OD1-CZ 2.78Å; D141-R144 IonicContact OD1-NH1 2.72Å; D141-R144 PolarHBondContact OD1-NH1 3.27Å; D141-R144 IonicContact OD1-NH2 3.18Å; D141-R144 PolarHBondContact OD1-NH2 2.91Å; Y142-R144 VanDerWaalsContact C-N 3.32Å; Y142-R144 PolarHBondContact O-N 3.4Å
145E89.1Confident83.7Confident144 Ų14473 Ų7367%0.67339%0.386SS*.Hα-helixtrans-76.4-29-178.5-72.1172.9-17300113.6D141 Y142 E143D141-E145 WeakPolarHBondContact O-CG 3.31Å; D141-E145 PolarHBondContact O-N 2.86Å; D141-E145 VanDerWaalsContact O-N 3.1Å; Y142-E145 PolarHBondContact O-N 2.83Å; E143-E145 VanDerWaalsContact C-N 3.35Å
146N86.5Confident83.5Confident80 Ų8079 Ų7943%0.42842%0.423SS..Hα-helixtrans-100.93.6-174.8-68.8-90.5000113.7Y142 Q148Y142-N146 WeakPolarHBondContact CD2-ND2 3.49Å; Y142-N146 HydrophobicContact CE1-CB 4.36Å; Y142-N146 VanDerWaalsContact CE2-ND2 3.32Å; Y142-N146 WeakPolarHBondContact CE2-ND2 3.35Å; Y142-N146 PolarHBondContact O-N 2.8Å; Y142-N146 VanDerWaalsContact O-N 3.09Å; Y142-N146 PolarHBondContact O-ND2 3.46Å; N146-Q148 PolarHBondContact O-N 3.02Å
147E73.9Confident83.3Confident181 Ų18182.9 Ų82.985%0.84645%0.45SS*.SBendtrans527.9179.3-62.7-171.4158.600116.2E143E143-E147 PolarHBondContact O-N 2.96Å
148Q65.4Low83.3Confident130 Ų13076.3 Ų76.361%0.60743%0.426SS*.SBendtrans-140.9141.2176-66.6-156.34.600111.4N146 S150N146-Q148 PolarHBondContact O-N 3.02Å; Q148-S150 PolarHBondContact O-N 3.02Å
149P65.8Low83.4Confident97 Ų9777.2 Ų77.263%0.6343%0.428SS*.  trans-58.4131.4164.6-0.510.4000108.1P151P149-P151 WeakPolarHBondContact O-CD 3.14Å; P149-P151 VanDerWaalsContact O-N 3.08Å
150S60.5Low83.5Confident26 Ų2680.8 Ų80.818%0.18245%0.452CS..  trans-58.2115.9-177.6-25.40000109.2K139 Y142 Q148 V152 P155K139-S150 PolarHBondContact NZ-OG 3.45Å; Y142-S150 WeakPolarHBondContact CE1-OG 3.22Å; Q148-S150 PolarHBondContact O-N 3.02Å; S150-V152 PolarHBondContact O-N 3.24Å; S150-V152 VanDerWaalsContact O-N 3.14Å; S150-P155 WeakPolarHBondContact OG-CG 3.03Å
151P56.3Low83.8Confident110 Ų11081 Ų8171%0.71446%0.455SS*.SBendtrans-75.4109176.15.18.5000108.1P149P149-P151 WeakPolarHBondContact O-CD 3.14Å; P149-P151 VanDerWaalsContact O-N 3.08Å
152V67Low84Confident150 Ų15082.1 Ų82.191%0.90946%0.457SS*.SBendtrans69.7104.9173.7-167.10000114.7S150S150-V152 PolarHBondContact O-N 3.24Å; S150-V152 VanDerWaalsContact O-N 3.14Å
153G77.6Confident84.3Confident55 Ų5583.2 Ų83.257%0.56747%0.467SS*.SBendtrans102.4175.1168.700000115.6
154V89.6Confident84.7Confident51 Ų5185.6 Ų85.631%0.30948%0.476SS..  trans-90122178-177.30000108.8V158 V159 Y162V154-V158 HydrophobicContact CG1-CB 3.82Å; V154-V158 HydrophobicContact CG1-CG1 3.82Å; V154-V159 HydrophobicContact CB-CG2 4.21Å; V154-V159 HydrophobicContact CG1-CG2 3.97Å; V154-Y162 HydrophobicContact CG1-CG 4.2Å; V154-Y162 HydrophobicContact CG2-CD1 4.27Å; V154-Y162 HydrophobicContact CG2-CD2 3.72Å; V154-Y162 HydrophobicContact CG2-CE2 3.97Å; V154-Y162 HydrophobicContact CG2-CG 3.88Å
155P91.1Very high85.2Confident12 Ų1278.6 Ų78.68%0.07845%0.45CS..  trans-56.7145.4177.9-24.432.4000112.3Y142 S150 S157 V158 V159Y142-P155 HydrophobicContact CD1-CB 4Å; Y142-P155 HydrophobicContact CD1-CG 3.44Å; Y142-P155 VanDerWaalsContact CD1-CG 3.44Å; Y142-P155 HydrophobicContact CD2-CB 3.88Å; Y142-P155 HydrophobicContact CD2-CG 4.25Å; Y142-P155 HydrophobicContact CE1-CB 3.75Å; Y142-P155 HydrophobicContact CE1-CG 3.3Å; Y142-P155 HydrophobicContact CE2-CB 3.62Å; Y142-P155 HydrophobicContact CE2-CG 4.14Å; Y142-P155 HydrophobicContact CG-CB 4.06Å; Y142-P155 HydrophobicContact CG-CG 3.93Å; S150-P155 WeakPolarHBondContact OG-CG 3.03Å; P155-S157 PolarHBondContact O-N 2.76Å; P155-S157 VanDerWaalsContact O-N 3.1Å; P155-V158 HydrophobicContact CB-CB 4.43Å; P155-V158 HydrophobicContact CB-CG2 4.05Å; P155-V158 HydrophobicContact CG-CG2 4.18Å; P155-V158 WeakPolarHBondContact O-CA 3.45Å; P155-V158 WeakPolarHBondContact O-CB 3.4Å; P155-V158 PolarHBondContact O-N 3.33Å; P155-V159 WeakPolarHBondContact O-CG2 3.33Å; P155-V159 PolarHBondContact O-N 2.86Å
156T92.4Very high85.7Confident131 Ų13173.1 Ų73.180%0.80443%0.426SS*.THydrogen-bonded Turntrans-53.1-37.6-175.9-50.30000113.3V158T156-V158 VanDerWaalsContact C-N 3.28Å; T156-V158 PolarHBondContact O-N 3.15Å
157S93.6Very high86.2Confident84 Ų8474.1 Ų74.159%0.58743%0.428SS*.THydrogen-bonded Turntrans-68.6-23.3176.7540000113.9Y142 P155Y142-S157 WeakPolarHBondContact CD2-OG 3.5Å; P155-S157 PolarHBondContact O-N 2.76Å; P155-S157 VanDerWaalsContact O-N 3.1Å
158V95.9Very high87.4Confident1 Ų166.9 Ų66.91%0.00640%0.395CS..THydrogen-bonded Turntrans-95.3-23.9-177.7-176.60000111.7F135 A138 K139 Y142 V154 P155 T156 P160 A161 Y162F135-V158 HydrophobicContact CD2-CG1 3.84Å; F135-V158 HydrophobicContact CE2-CG1 3.74Å; A138-V158 HydrophobicContact CB-CG1 4.35Å; K139-V158 HydrophobicContact CB-CG1 3.97Å; K139-V158 HydrophobicContact CD-CG1 4.36Å; Y142-V158 HydrophobicContact CG-CG2 4.36Å; V154-V158 HydrophobicContact CG1-CB 3.82Å; V154-V158 HydrophobicContact CG1-CG1 3.82Å; P155-V158 HydrophobicContact CB-CB 4.43Å; P155-V158 HydrophobicContact CB-CG2 4.05Å; P155-V158 HydrophobicContact CG-CG2 4.18Å; P155-V158 WeakPolarHBondContact O-CA 3.45Å; P155-V158 WeakPolarHBondContact O-CB 3.4Å; P155-V158 PolarHBondContact O-N 3.33Å; T156-V158 VanDerWaalsContact C-N 3.28Å; T156-V158 PolarHBondContact O-N 3.15Å; V158-P160 VanDerWaalsContact C-CD 3.42Å; V158-P160 VanDerWaalsContact C-N 3.32Å; V158-A161 PolarHBondContact O-N 3.1Å; V158-Y162 PolarHBondContact O-N 2.86Å
159V96.2Very high89Confident50 Ų5060.7 Ų60.730%0.30337%0.366SS..Hα-helixtrans-47.3-43.8-179.1168.30000113.6V154 P155 A161 Y162 N163V154-V159 HydrophobicContact CB-CG2 4.21Å; V154-V159 HydrophobicContact CG1-CG2 3.97Å; P155-V159 WeakPolarHBondContact O-CG2 3.33Å; P155-V159 PolarHBondContact O-N 2.86Å; V159-A161 VanDerWaalsContact C-N 3.35Å; V159-A161 PolarHBondContact O-N 3.2Å; V159-Y162 PolarHBondContact O-N 2.75Å; V159-N163 WeakPolarHBondContact CG1-ND2 3.24Å; V159-N163 WeakPolarHBondContact O-CB 3.5Å; V159-N163 VanDerWaalsContact O-CG 3.3Å; V159-N163 PolarHBondContact O-N 3.41Å
160P97.9Very high90.6Very high84 Ų8458 Ų5855%0.54535%0.347SS..Hα-helixtrans-59.1-42.8178.2-25.735.7000113.4V158 K164V158-P160 VanDerWaalsContact C-CD 3.42Å; V158-P160 VanDerWaalsContact C-N 3.32Å; P160-K164 WeakPolarHBondContact O-CG 3.46Å; P160-K164 PolarHBondContact O-N 2.86Å; P160-K164 VanDerWaalsContact O-N 3.11Å
161A98Very high92.4Very high13 Ų1359.4 Ų59.411%0.10736%0.357CS..Hα-helixtrans-70.9-40.3179.500000111.7V134 F135 A138 V158 V159 K164 L165V134-A161 HydrophobicContact CG1-CB 4.04Å; F135-A161 HydrophobicContact CB-CB 4.14Å; A138-A161 HydrophobicContact CB-CB 4.28Å; V158-A161 PolarHBondContact O-N 3.1Å; V159-A161 VanDerWaalsContact C-N 3.35Å; V159-A161 PolarHBondContact O-N 3.2Å; A161-K164 PolarHBondContact O-N 2.87Å; A161-L165 PolarHBondContact O-N 3.18Å
162Y97.7Very high94.4Very high66 Ų6654.3 Ų54.326%0.25932%0.324SS..Hα-helixtrans-58.9-50.9173.5173.1-92.9000111.6F135 V154 V158 V159 K164 L165 V166 F213F135-Y162 HydrophobicContact CD2-CD2 4.5Å; F135-Y162 AromaticContact CE2-CD2 3.89Å; F135-Y162 HydrophobicContact CE2-CD2 3.89Å; F135-Y162 HydrophobicContact CE2-CG 4.37Å; F135-Y162 HydrophobicContact CZ-CD2 4.17Å; V154-Y162 HydrophobicContact CG1-CG 4.2Å; V154-Y162 HydrophobicContact CG2-CD1 4.27Å; V154-Y162 HydrophobicContact CG2-CD2 3.72Å; V154-Y162 HydrophobicContact CG2-CE2 3.97Å; V154-Y162 HydrophobicContact CG2-CG 3.88Å; V158-Y162 PolarHBondContact O-N 2.86Å; V159-Y162 PolarHBondContact O-N 2.75Å; Y162-K164 VanDerWaalsContact C-N 3.28Å; Y162-K164 PolarHBondContact O-N 2.89Å; Y162-L165 WeakPolarHBondContact O-CB 3.41Å; Y162-L165 PolarHBondContact O-N 3.3Å; Y162-L165 VanDerWaalsContact O-N 3.14Å; Y162-V166 HydrophobicContact CD1-CG2 4.31Å; Y162-V166 HydrophobicContact CE1-CG2 3.85Å; Y162-V166 HydrophobicContact CE2-CG2 4.16Å; Y162-V166 WeakPolarHBondContact O-CG2 3.42Å; Y162-V166 PolarHBondContact O-N 3.1Å; Y162-F213 AromaticContact CD2-CD2 3.98Å; Y162-F213 HydrophobicContact CD2-CD2 3.98Å; Y162-F213 HydrophobicContact CD2-CE2 4.17Å; Y162-F213 AromaticContact CE2-CD2 3.67Å; Y162-F213 HydrophobicContact CE2-CD2 3.67Å; Y162-F213 AromaticContact CE2-CE2 3.75Å; Y162-F213 HydrophobicContact CE2-CE2 3.75Å
163N98Very high95.9Very high87 Ų8748.1 Ų48.147%0.46529%0.286SS..Hα-helixtrans-60.5-39.4-180-74.5-12000111.5V159 V166 E167V159-N163 WeakPolarHBondContact CG1-ND2 3.24Å; V159-N163 WeakPolarHBondContact O-CB 3.5Å; V159-N163 VanDerWaalsContact O-CG 3.3Å; V159-N163 PolarHBondContact O-N 3.41Å; N163-V166 PolarHBondContact O-N 3.48Å; N163-E167 VanDerWaalsContact O-CB 3.31Å; N163-E167 WeakPolarHBondContact O-CB 3.23Å; N163-E167 PolarHBondContact O-N 3.42Å
164K98.4Very high96.8Very high99 Ų9951.4 Ų51.443%0.4328%0.284SS..Hα-helixtrans-64.9-40.5176-74.6-64.2175.2-163.20112.9N131 P160 A161 Y162 E167 Q168N131-K164 WeakPolarHBondContact OD1-CB 3.44Å; P160-K164 WeakPolarHBondContact O-CG 3.46Å; P160-K164 PolarHBondContact O-N 2.86Å; P160-K164 VanDerWaalsContact O-N 3.11Å; A161-K164 PolarHBondContact O-N 2.87Å; Y162-K164 VanDerWaalsContact C-N 3.28Å; Y162-K164 PolarHBondContact O-N 2.89Å; K164-E167 WeakPolarHBondContact CD-OE2 3.47Å; K164-E167 IonicContact NZ-OE1 2.83Å; K164-E167 IonicContact NZ-OE2 3.61Å; K164-E167 PolarHBondContact NZ-OE2 3.1Å; K164-E167 PolarHBondContact O-N 2.92Å; K164-Q168 WeakPolarHBondContact O-CG 3.26Å; K164-Q168 PolarHBondContact O-N 3.43Å; K164-Q168 VanDerWaalsContact O-N 3.1Å
165L98.6Very high97.2Very high0 Ų050 Ų500%028%0.275CS..Hα-helixtrans-60.8-48.3173.4175.358.1000111.4L128 F132 F135 A161 Y162 E167 Q168 L169 F213L128-L165 HydrophobicContact CD1-CD1 3.88Å; F132-L165 HydrophobicContact CB-CD1 3.89Å; F132-L165 HydrophobicContact CD2-CD2 4.04Å; F135-L165 HydrophobicContact CB-CD2 4.28Å; F135-L165 HydrophobicContact CD1-CD2 3.71Å; F135-L165 HydrophobicContact CE1-CD2 4.37Å; F135-L165 HydrophobicContact CG-CD2 4.13Å; A161-L165 PolarHBondContact O-N 3.18Å; Y162-L165 WeakPolarHBondContact O-CB 3.41Å; Y162-L165 PolarHBondContact O-N 3.3Å; Y162-L165 VanDerWaalsContact O-N 3.14Å; L165-E167 VanDerWaalsContact C-N 3.33Å; L165-E167 PolarHBondContact O-N 2.85Å; L165-Q168 PolarHBondContact O-N 2.93Å; L165-L169 HydrophobicContact CD1-CD1 4.27Å; L165-L169 HydrophobicContact CD1-CG 4.39Å; L165-L169 HydrophobicContact CG-CD1 4.17Å; L165-L169 WeakPolarHBondContact O-CG 3.46Å; L165-L169 PolarHBondContact O-N 3.04Å; L165-F213 HydrophobicContact CD2-CD1 4.48Å; L165-F213 HydrophobicContact CD2-CD2 4.3Å; L165-F213 HydrophobicContact CD2-CE1 4.06Å; L165-F213 HydrophobicContact CD2-CE2 3.86Å; L165-F213 HydrophobicContact CD2-CZ 3.74Å; L165-F213 HydrophobicContact CG-CE2 4.42Å; L165-F213 HydrophobicContact CG-CZ 4.16Å
166V98.5Very high97.5Very high29 Ų2949.7 Ų49.718%0.17627%0.273CS..Hα-helixtrans-63-38.3178.5175.40000111.8Y162 N163 Q168 L169 T170 F213 P216Y162-V166 HydrophobicContact CD1-CG2 4.31Å; Y162-V166 HydrophobicContact CE1-CG2 3.85Å; Y162-V166 HydrophobicContact CE2-CG2 4.16Å; Y162-V166 WeakPolarHBondContact O-CG2 3.42Å; Y162-V166 PolarHBondContact O-N 3.1Å; N163-V166 PolarHBondContact O-N 3.48Å; V166-Q168 PolarHBondContact O-N 2.86Å; V166-L169 PolarHBondContact O-N 3.37Å; V166-T170 WeakPolarHBondContact O-CB 3.27Å; V166-T170 PolarHBondContact O-N 3.2Å; V166-T170 PolarHBondContact O-OG1 3.38Å; V166-F213 HydrophobicContact CG2-CE2 4.28Å; V166-P216 HydrophobicContact CG1-CG 4.24Å; V166-P216 HydrophobicContact CG2-CG 4.5Å
167E98.5Very high97.8Very high100 Ų10045.9 Ų45.947%0.46725%0.252SS..Hα-helixtrans-59.5-44.1174.2-174.2-175163.900111.5N163 K164 L165 T170 S171N163-E167 VanDerWaalsContact O-CB 3.31Å; N163-E167 WeakPolarHBondContact O-CB 3.23Å; N163-E167 PolarHBondContact O-N 3.42Å; K164-E167 WeakPolarHBondContact CD-OE2 3.47Å; K164-E167 IonicContact NZ-OE1 2.83Å; K164-E167 IonicContact NZ-OE2 3.61Å; K164-E167 PolarHBondContact NZ-OE2 3.1Å; K164-E167 PolarHBondContact O-N 2.92Å; L165-E167 VanDerWaalsContact C-N 3.33Å; L165-E167 PolarHBondContact O-N 2.85Å; E167-T170 PolarHBondContact O-N 2.93Å; E167-S171 PolarHBondContact O-N 2.85Å
168Q98.6Very high97.9Very high30 Ų3049.4 Ų49.414%0.1426%0.259CS..Hα-helixtrans-66.4-44.2177-61.6-45.6-77.100112.2S127 L128 N131 K164 L165 V166 T170 S171 I172S127-Q168 VanDerWaalsContact OG-CD 3.24Å; S127-Q168 PolarHBondContact OG-OE1 3.38Å; L128-Q168 HydrophobicContact CB-CB 4.22Å; L128-Q168 HydrophobicContact CD1-CB 3.85Å; N131-Q168 HydrophobicContact CB-CG 4.3Å; K164-Q168 WeakPolarHBondContact O-CG 3.26Å; K164-Q168 PolarHBondContact O-N 3.43Å; K164-Q168 VanDerWaalsContact O-N 3.1Å; L165-Q168 PolarHBondContact O-N 2.93Å; V166-Q168 PolarHBondContact O-N 2.86Å; Q168-T170 VanDerWaalsContact C-N 3.3Å; Q168-T170 PolarHBondContact O-N 3.48Å; Q168-S171 WeakPolarHBondContact O-CB 3.35Å; Q168-S171 PolarHBondContact O-N 3.39Å; Q168-S171 VanDerWaalsContact O-N 3.16Å; Q168-I172 PolarHBondContact O-N 2.87Å; Q168-I172 VanDerWaalsContact O-N 3.1Å
169L98.8Very high97.9Very high0 Ų052.8 Ų52.80%027%0.271CS..Hα-helixtrans-59.5-42.8175.7-68.9166.4000111.3L128 L165 V166 S171 I172 D173 L200 F213 I215 L219 L222L128-L169 HydrophobicContact CD1-CD2 3.6Å; L128-L169 HydrophobicContact CD1-CG 3.77Å; L128-L169 HydrophobicContact CD2-CD2 4.49Å; L165-L169 HydrophobicContact CD1-CD1 4.27Å; L165-L169 HydrophobicContact CD1-CG 4.39Å; L165-L169 HydrophobicContact CG-CD1 4.17Å; L165-L169 WeakPolarHBondContact O-CG 3.46Å; L165-L169 PolarHBondContact O-N 3.04Å; V166-L169 PolarHBondContact O-N 3.37Å; L169-S171 VanDerWaalsContact C-N 3.32Å; L169-S171 PolarHBondContact O-N 3.17Å; L169-I172 PolarHBondContact O-N 3.36Å; L169-D173 PolarHBondContact O-N 3.29Å; L169-L200 HydrophobicContact CD2-CD2 3.79Å; L169-F213 HydrophobicContact CD1-CE1 4.32Å; L169-F213 HydrophobicContact CD1-CZ 3.7Å; L169-I215 HydrophobicContact CD1-CG1 4.41Å; L169-L219 HydrophobicContact CB-CD1 3.69Å; L169-L222 HydrophobicContact CB-CD2 4.11Å; L169-L222 HydrophobicContact CD2-CD2 3.74Å
170T98.7Very high97.9Very high39 Ų3954.8 Ų54.824%0.23928%0.28CS..Hα-helixtrans-63.9-36.8176.3-55.90000111.8V166 E167 Q168 I172 D173 K174 L219V166-T170 WeakPolarHBondContact O-CB 3.27Å; V166-T170 PolarHBondContact O-N 3.2Å; V166-T170 PolarHBondContact O-OG1 3.38Å; E167-T170 PolarHBondContact O-N 2.93Å; Q168-T170 VanDerWaalsContact C-N 3.3Å; Q168-T170 PolarHBondContact O-N 3.48Å; T170-I172 VanDerWaalsContact C-N 3.35Å; T170-D173 PolarHBondContact O-N 3.08Å; T170-K174 HydrophobicContact CG2-CD 4.43Å; T170-K174 WeakPolarHBondContact O-CG 3.44Å; T170-K174 PolarHBondContact O-N 3.2Å; T170-L219 HydrophobicContact CG2-CD2 4.47Å
171S98.1Very high97.8Very high57 Ų5752.7 Ų52.740%0.39927%0.266SS..Hα-helixtrans-64.7-40176.3-169.60000112E167 Q168 L169 L175E167-S171 PolarHBondContact O-N 2.85Å; Q168-S171 WeakPolarHBondContact O-CB 3.35Å; Q168-S171 PolarHBondContact O-N 3.39Å; Q168-S171 VanDerWaalsContact O-N 3.16Å; L169-S171 VanDerWaalsContact C-N 3.32Å; L169-S171 PolarHBondContact O-N 3.17Å; S171-L175 PolarHBondContact O-N 2.99Å
172I98.4Very high97.7Very high2 Ų256.2 Ų56.21%0.0128%0.276CS..Hα-helixtrans-70.2-42.1177.3-65168.2000110.6L128 Q168 L169 T170 K174 L175 L176 L196 L222L128-I172 HydrophobicContact CB-CD1 4.07Å; L128-I172 HydrophobicContact CD1-CD1 4.4Å; L128-I172 HydrophobicContact CD2-CD1 3.62Å; L128-I172 HydrophobicContact CG-CD1 4.22Å; Q168-I172 PolarHBondContact O-N 2.87Å; Q168-I172 VanDerWaalsContact O-N 3.1Å; L169-I172 PolarHBondContact O-N 3.36Å; T170-I172 VanDerWaalsContact C-N 3.35Å; I172-K174 VanDerWaalsContact C-N 3.32Å; I172-K174 PolarHBondContact O-N 3.37Å; I172-L175 WeakPolarHBondContact O-CB 3.33Å; I172-L175 PolarHBondContact O-N 3.02Å; I172-L175 VanDerWaalsContact O-N 3.14Å; I172-L176 HydrophobicContact CG2-CD1 3.93Å; I172-L176 HydrophobicContact CG2-CG 4.38Å; I172-L176 WeakPolarHBondContact O-CG 3.28Å; I172-L176 PolarHBondContact O-N 3.16Å; I172-L196 HydrophobicContact CD1-CD1 4.1Å; I172-L196 HydrophobicContact CG2-CD2 4.1Å; I172-L222 HydrophobicContact CB-CD1 4.47Å; I172-L222 HydrophobicContact CG2-CD1 3.78Å
173D98.6Very high97.7Very high20 Ų2054 Ų5411%0.10727%0.268CS..Hα-helixtrans-56.1-45.5173.6-177.877.2000111.9L169 T170 L175 L176 S177 L219 V220 H221 L222L169-D173 PolarHBondContact O-N 3.29Å; T170-D173 PolarHBondContact O-N 3.08Å; D173-L175 PolarHBondContact O-N 2.65Å; D173-L176 PolarHBondContact O-N 3.02Å; D173-S177 WeakPolarHBondContact O-CB 3.47Å; D173-S177 PolarHBondContact O-N 3.01Å; D173-L219 HydrophobicContact CB-CB 4.11Å; D173-L219 HydrophobicContact CB-CD2 4.02Å; D173-L219 WeakPolarHBondContact OD1-CA 3.4Å; D173-V220 PolarHBondContact OD1-N 2.88Å; D173-H221 WeakPolarHBondContact OD1-CA 3.5Å; D173-H221 WeakPolarHBondContact OD1-CB 3.42Å; D173-H221 PolarHBondContact OD1-N 2.74Å; D173-H221 IonicContact OD1-ND1 2.64Å; D173-L222 HydrophobicContact CB-CB 4.08Å; D173-L222 PolarHBondContact OD1-N 2.79Å
174K98.1Very high97.7Very high124 Ų12450 Ų5054%0.53925%0.247SC..Hα-helixtrans-61.7-41.8174.4-74.3174.1180177.40112.6T170 I172 S177 Q178T170-K174 HydrophobicContact CG2-CD 4.43Å; T170-K174 WeakPolarHBondContact O-CG 3.44Å; T170-K174 PolarHBondContact O-N 3.2Å; I172-K174 VanDerWaalsContact C-N 3.32Å; I172-K174 PolarHBondContact O-N 3.37Å; K174-S177 PolarHBondContact O-N 3.23Å; K174-Q178 WeakPolarHBondContact O-CB 3.21Å; K174-Q178 VanDerWaalsContact O-CG 3.24Å; K174-Q178 WeakPolarHBondContact O-CG 3.34Å; K174-Q178 PolarHBondContact O-N 3.42Å
175L97.5Very high97.6Very high21 Ų2147.2 Ų47.211%0.1124%0.238CC..Hα-helixtrans-62.5-46.5177.4-178.365.1000111.2V121 S171 I172 D173 S177 Q178 R179 L184V121-L175 HydrophobicContact CG2-CD2 4.11Å; S171-L175 PolarHBondContact O-N 2.99Å; I172-L175 WeakPolarHBondContact O-CB 3.33Å; I172-L175 PolarHBondContact O-N 3.02Å; I172-L175 VanDerWaalsContact O-N 3.14Å; D173-L175 PolarHBondContact O-N 2.65Å; L175-S177 VanDerWaalsContact C-N 3.33Å; L175-S177 PolarHBondContact O-N 3.25Å; L175-Q178 PolarHBondContact O-N 3.12Å; L175-R179 HydrophobicContact CD1-CG 4.48Å; L175-R179 WeakPolarHBondContact O-CG 3.24Å; L175-R179 PolarHBondContact O-N 3.1Å; L175-L184 HydrophobicContact CD2-CD1 4.29Å
176L97.8Very high97.4Very high7 Ų748 Ų484%0.03725%0.246CC..Hα-helixtrans-61.4-42176.2-72.1164.8000111.3I172 D173 R179 N180 L184 H221 L222 Y225I172-L176 HydrophobicContact CG2-CD1 3.93Å; I172-L176 HydrophobicContact CG2-CG 4.38Å; I172-L176 WeakPolarHBondContact O-CG 3.28Å; I172-L176 PolarHBondContact O-N 3.16Å; D173-L176 PolarHBondContact O-N 3.02Å; L176-R179 PolarHBondContact O-N 3.03Å; L176-N180 PolarHBondContact O-N 3.11Å; L176-L184 HydrophobicContact CD2-CD1 3.83Å; L176-L184 HydrophobicContact CG-CD1 4.25Å; L176-H221 HydrophobicContact CB-CB 3.86Å; L176-L222 HydrophobicContact CD1-CB 4.45Å; L176-L222 HydrophobicContact CD1-CD1 4Å; L176-Y225 HydrophobicContact CD1-CD1 4.46Å; L176-Y225 HydrophobicContact CD1-CG 3.98Å; L176-Y225 HydrophobicContact CD2-CD2 3.77Å; L176-Y225 HydrophobicContact CD2-CE2 4.4Å; L176-Y225 HydrophobicContact CD2-CG 4.06Å
177S97.3Very high97.2Very high51 Ų5151.1 Ų51.136%0.35727%0.269SS..Hα-helixtrans-61.6-43.9175.2-172.40000112.8D173 K174 L175 H221D173-S177 WeakPolarHBondContact O-CB 3.47Å; D173-S177 PolarHBondContact O-N 3.01Å; K174-S177 PolarHBondContact O-N 3.23Å; L175-S177 VanDerWaalsContact C-N 3.33Å; L175-S177 PolarHBondContact O-N 3.25Å; S177-H221 VanDerWaalsContact CA-CD2 3.4Å; S177-H221 WeakPolarHBondContact CA-CD2 3.46Å; S177-H221 PolarHBondContact OG-CE1 3.27Å; S177-H221 PolarHBondContact OG-NE2 3.1Å; S177-H221 VanDerWaalsContact OG-NE2 3.16Å
178Q96.9Very high97.1Very high158 Ų15849.6 Ų49.674%0.73827%0.267SS*.Hα-helixtrans-66.7-38.2178.3-74170.3-3.100112.7K174 L175K174-Q178 WeakPolarHBondContact O-CB 3.21Å; K174-Q178 VanDerWaalsContact O-CG 3.24Å; K174-Q178 WeakPolarHBondContact O-CG 3.34Å; K174-Q178 PolarHBondContact O-N 3.42Å; L175-Q178 PolarHBondContact O-N 3.12Å
179R95.6Very high97Very high72 Ų7249.3 Ų49.327%0.27227%0.265SS..Hα-helixtrans-77.1-35.3179.8-70.5-179-179.8-167.7-0.9112.3D118 L175 L176 T181 L184D118-R179 IonicContact OD1-NH2 3.12Å; D118-R179 IonicContact OD2-CZ 3.51Å; D118-R179 VanDerWaalsContact OD2-CZ 3.3Å; D118-R179 IonicContact OD2-NH1 3.63Å; D118-R179 PolarHBondContact OD2-NH1 3.29Å; D118-R179 VanDerWaalsContact OD2-NH1 3.12Å; D118-R179 IonicContact OD2-NH2 3.68Å; D118-R179 PolarHBondContact OD2-NH2 3.29Å; L175-R179 HydrophobicContact CD1-CG 4.48Å; L175-R179 WeakPolarHBondContact O-CG 3.24Å; L175-R179 PolarHBondContact O-N 3.1Å; L176-R179 PolarHBondContact O-N 3.03Å; R179-T181 HydrophobicContact CB-CG2 4.26Å; R179-T181 PolarHBondContact O-N 3.01Å; R179-L184 WeakPolarHBondContact CD-O 3.35Å; R179-L184 PolarHBondContact NH1-O 3.32Å
180N95.8Very high97Very high92 Ų9249.5 Ų49.549%0.49227%0.266SS..THydrogen-bonded Turntrans50.745.9-176.4-167.343.6000112.2L176L176-N180 PolarHBondContact O-N 3.11Å
181T95.9Very high97Very high39 Ų3948.7 Ų48.724%0.23926%0.26CS..  trans-115.2157.2-178.349.60000111R179 Y183 G186R179-T181 HydrophobicContact CB-CG2 4.26Å; R179-T181 PolarHBondContact O-N 3.01Å; T181-Y183 WeakPolarHBondContact CB-O 3.18Å; T181-Y183 PolarHBondContact OG1-O 3.1Å; T181-G186 WeakPolarHBondContact CB-O 3.47Å
182R96.8Very high97Very high87 Ų8746.4 Ų46.433%0.32824%0.243SC..SBendtrans-64.9-45.9177.9-176.2174.4172.7-178.5-1.2112.9T228 L288R182-T228 HydrophobicContact CG-CG2 3.8Å; R182-T228 PolarHBondContact O-OG1 2.59Å; R182-L288 HydrophobicContact CB-CB 4.42Å; R182-L288 WeakPolarHBondContact CB-OXT 3.37Å; R182-L288 WeakPolarHBondContact CD-OXT 3.31Å
183Y97.8Very high97Very high21 Ų2146.3 Ų46.38%0.08224%0.243CC..SBendtrans-107.5177.5176.6-65.7-82000110.1T181 V185 G186 S187 T188 M189 D193 M197 T228 T232T181-Y183 WeakPolarHBondContact CB-O 3.18Å; T181-Y183 PolarHBondContact OG1-O 3.1Å; Y183-V185 VanDerWaalsContact C-N 3.35Å; Y183-V185 PolarHBondContact O-N 3.22Å; Y183-G186 WeakPolarHBondContact CA-O 3.29Å; Y183-G186 WeakPolarHBondContact CB-O 3.25Å; Y183-G186 PolarHBondContact N-O 3.05Å; Y183-S187 WeakPolarHBondContact CD2-O 3.26Å; Y183-S187 WeakPolarHBondContact CE2-O 3.24Å; Y183-T188 WeakPolarHBondContact CB-O 3.47Å; Y183-M189 HydrophobicContact CD1-CB 3.97Å; Y183-M189 HydrophobicContact CD1-CG 4.13Å; Y183-M189 HydrophobicContact CE1-CB 3.71Å; Y183-M189 HydrophobicContact CE1-CG 3.95Å; Y183-M189 HydrophobicContact CE2-CB 4.37Å; Y183-M189 HydrophobicContact CG-CB 4.41Å; Y183-D193 WeakPolarHBondContact CB-OD1 3.26Å; Y183-D193 HydrophobicContact CD1-CB 4.21Å; Y183-M197 HydrophobicContact CD1-CE 3.67Å; Y183-M197 HydrophobicContact CE1-CE 3.83Å; Y183-T228 HydrophobicContact CD1-CG2 4.12Å; Y183-T228 HydrophobicContact CE1-CG2 3.79Å; Y183-T232 HydrophobicContact CE1-CG2 4.49Å; Y183-T232 PolarHBondContact OH-OG1 3Å; Y183-T232 VanDerWaalsContact OH-OG1 3.08Å
184L97Very high97Very high3 Ų345.4 Ų45.42%0.01624%0.237CC..SBendtrans-67.2-34.4-168.1-170.560.4000113.5V121 I125 L175 L176 R179 D193 L196 Y225V121-L184 HydrophobicContact CB-CD2 4.42Å; V121-L184 HydrophobicContact CG1-CD2 3.39Å; V121-L184 HydrophobicContact CG1-CG 4.25Å; V121-L184 HydrophobicContact CG2-CD2 4.17Å; V121-L184 HydrophobicContact CG2-CG 4.18Å; I125-L184 HydrophobicContact CD1-CD2 4.27Å; L175-L184 HydrophobicContact CD2-CD1 4.29Å; L176-L184 HydrophobicContact CD2-CD1 3.83Å; L176-L184 HydrophobicContact CG-CD1 4.25Å; R179-L184 WeakPolarHBondContact CD-O 3.35Å; R179-L184 PolarHBondContact NH1-O 3.32Å; L184-D193 WeakPolarHBondContact CB-OD1 3.45Å; L184-D193 PolarHBondContact N-OD1 3.27Å; L184-L196 HydrophobicContact CD1-CD2 3.99Å; L184-L196 HydrophobicContact CD2-CB 4.45Å; L184-L196 HydrophobicContact CD2-CD2 3.57Å; L184-L196 HydrophobicContact CG-CD2 4.36Å; L184-Y225 HydrophobicContact CB-CE2 4.11Å
185V95.5Very high97Very high40 Ų4041.3 Ų41.324%0.24222%0.22CC..SBendtrans-113.2-8.6-178.2-89.30000113.6D118 V121 Y183 T190 Y192D118-V185 HydrophobicContact CB-CG1 4.19Å; V121-V185 HydrophobicContact CG2-CG1 4.25Å; Y183-V185 VanDerWaalsContact C-N 3.35Å; Y183-V185 PolarHBondContact O-N 3.22Å; V185-T190 HydrophobicContact CG2-CG2 3.4Å; V185-T190 WeakPolarHBondContact CG2-OG1 3.5Å; V185-Y192 HydrophobicContact CG1-CD2 3.97Å; V185-Y192 HydrophobicContact CG1-CE2 4.37Å; V185-Y192 HydrophobicContact CG2-CD2 4.08Å
186G95.1Very high97.1Very high17 Ų1740.4 Ų40.418%0.17522%0.215CC..SBendtrans178.8-161.6-175.200000114.9T181 Y183 T188T181-G186 WeakPolarHBondContact CB-O 3.47Å; Y183-G186 WeakPolarHBondContact CA-O 3.29Å; Y183-G186 WeakPolarHBondContact CB-O 3.25Å; Y183-G186 PolarHBondContact N-O 3.05Å; G186-T188 VanDerWaalsContact C-N 3.34Å
187S94.7Very high97.1Very high93 Ų9340.2 Ų40.265%0.6521%0.214SC*.SBendtrans-82.3-11.917754.30000113.7Y183Y183-S187 WeakPolarHBondContact CD2-O 3.26Å; Y183-S187 WeakPolarHBondContact CE2-O 3.24Å
188T95.3Very high97.2Very high69 Ų6937.8 Ų37.842%0.42320%0.197SC..SBendtrans-115.2150.1178.654.20000111.3Y183 G186Y183-T188 WeakPolarHBondContact CB-O 3.47Å; G186-T188 VanDerWaalsContact C-N 3.34Å
189M97.8Very high97.3Very high24 Ų2430.9 Ų30.912%0.11817%0.165CC..  trans-68.1139.9176.1-166.9-179.172.100110.8M47 A51 Y183 D193 T232 A234M47-M189 HydrophobicContact CE-SD 3.85Å; A51-M189 HydrophobicContact CB-CE 3.57Å; Y183-M189 HydrophobicContact CD1-CB 3.97Å; Y183-M189 HydrophobicContact CD1-CG 4.13Å; Y183-M189 HydrophobicContact CE1-CB 3.71Å; Y183-M189 HydrophobicContact CE1-CG 3.95Å; Y183-M189 HydrophobicContact CE2-CB 4.37Å; Y183-M189 HydrophobicContact CG-CB 4.41Å; M189-D193 HydrophobicContact CG-CB 3.64Å; M189-T232 HydrophobicContact SD-CG2 3.79Å; M189-A234 HydrophobicContact CE-CB 3.84Å; M189-A234 HydrophobicContact SD-CB 4.08Å
190T98.1Very high97.4Very high3 Ų327.5 Ų27.52%0.01815%0.152CC..  trans-126.4176.1177.462.40000111L114 E116 V185 Y192 D193 C194L114-T190 CarbonylContact O-C 3.53Å; L114-T190 WeakPolarHBondContact O-CA 3.41Å; L114-T190 WeakPolarHBondContact O-CB 3.3Å; E116-T190 HydrophobicContact CG-CG2 4.16Å; V185-T190 HydrophobicContact CG2-CG2 3.4Å; V185-T190 WeakPolarHBondContact CG2-OG1 3.5Å; T190-Y192 PolarHBondContact O-N 3.04Å; T190-Y192 VanDerWaalsContact O-N 3.13Å; T190-Y192 PolarHBondContact OG1-N 3.45Å; T190-D193 PolarHBondContact N-OD2 3.04Å; T190-D193 PolarHBondContact O-N 3.41Å; T190-D193 VanDerWaalsContact O-N 3.08Å; T190-D193 PolarHBondContact OG1-OD2 3.12Å; T190-C194 PolarHBondContact O-N 3.14Å; T190-C194 PolarHBondContact O-SG 2.93Å
191M98Very high97.6Very high22 Ų2223.2 Ų23.211%0.10813%0.129CC..Hα-helixtrans-52-33.2171.278.6-67.5-78.300112.2E48 L114 F115 E116 D193 C194 E195E48-M191 WeakPolarHBondContact OE1-CB 3.3Å; L114-M191 VanDerWaalsContact O-CE 3.23Å; L114-M191 WeakPolarHBondContact O-CE 3.48Å; L114-M191 PolarHBondContact O-N 2.89Å; F115-M191 VanDerWaalsContact CA-CE 3.43Å; F115-M191 HydrophobicContact CB-CE 3.18Å; F115-M191 HydrophobicContact CD1-CB 4.27Å; F115-M191 HydrophobicContact CD1-CE 3.37Å; F115-M191 HydrophobicContact CE1-CB 4.31Å; F115-M191 HydrophobicContact CE1-CE 4.42Å; F115-M191 HydrophobicContact CG-CE 3.53Å; E116-M191 VanDerWaalsContact O-CE 3.28Å; E116-M191 WeakPolarHBondContact O-CE 3.23Å; M191-D193 VanDerWaalsContact C-N 3.28Å; M191-D193 PolarHBondContact O-N 3.46Å; M191-C194 CarbonylContact O-C 3.41Å; M191-C194 WeakPolarHBondContact O-CA 3.28Å; M191-C194 VanDerWaalsContact O-CB 3.32Å; M191-C194 WeakPolarHBondContact O-CB 3.45Å; M191-C194 PolarHBondContact O-N 3.34Å; M191-C194 VanDerWaalsContact O-N 3.11Å; M191-E195 PolarHBondContact O-N 2.89Å
192Y98.3Very high97.7Very high10 Ų1021.4 Ų21.44%0.03912%0.118CC..Hα-helixtrans-66.9-32.4-177.9-65-45.8000113E116 D118 V121 D122 I125 V185 T190 E195 L196E116-Y192 HydrophobicContact CB-CE2 4.46Å; D118-Y192 HydrophobicContact CB-CE2 3.69Å; D118-Y192 PolarHBondContact N-OH 2.93Å; D118-Y192 PolarHBondContact O-OH 3.16Å; V121-Y192 HydrophobicContact CB-CD2 4.34Å; V121-Y192 HydrophobicContact CB-CE2 4.4Å; V121-Y192 HydrophobicContact CB-CG 4.38Å; V121-Y192 HydrophobicContact CG1-CD1 3.52Å; V121-Y192 HydrophobicContact CG1-CD2 3.76Å; V121-Y192 HydrophobicContact CG1-CE1 4.04Å; V121-Y192 HydrophobicContact CG1-CE2 4.2Å; V121-Y192 HydrophobicContact CG1-CG 3.37Å; D122-Y192 WeakPolarHBondContact OD1-CE1 3.34Å; D122-Y192 VanDerWaalsContact OD1-CZ 3.24Å; D122-Y192 PolarHBondContact OD1-OH 3.46Å; I125-Y192 HydrophobicContact CD1-CD1 4.04Å; V185-Y192 HydrophobicContact CG1-CD2 3.97Å; V185-Y192 HydrophobicContact CG1-CE2 4.37Å; V185-Y192 HydrophobicContact CG2-CD2 4.08Å; T190-Y192 PolarHBondContact O-N 3.04Å; T190-Y192 VanDerWaalsContact O-N 3.13Å; T190-Y192 PolarHBondContact OG1-N 3.45Å; Y192-E195 PolarHBondContact O-N 3.19Å; Y192-L196 WeakPolarHBondContact O-CB 3.46Å; Y192-L196 PolarHBondContact O-N 2.9Å
193D98.7Very high97.8Very high0 Ų017.2 Ų17.20%010%0.102CC..Hα-helixtrans-73.2-38.3173.3-54.2-74.4000110.9Y183 L184 M189 T190 M191 E195 L196 M197 Y225Y183-D193 WeakPolarHBondContact CB-OD1 3.26Å; Y183-D193 HydrophobicContact CD1-CB 4.21Å; L184-D193 WeakPolarHBondContact CB-OD1 3.45Å; L184-D193 PolarHBondContact N-OD1 3.27Å; M189-D193 HydrophobicContact CG-CB 3.64Å; T190-D193 PolarHBondContact N-OD2 3.04Å; T190-D193 PolarHBondContact O-N 3.41Å; T190-D193 VanDerWaalsContact O-N 3.08Å; T190-D193 PolarHBondContact OG1-OD2 3.12Å; M191-D193 VanDerWaalsContact C-N 3.28Å; M191-D193 PolarHBondContact O-N 3.46Å; D193-E195 PolarHBondContact O-N 3.14Å; D193-L196 PolarHBondContact O-N 3.33Å; D193-M197 HydrophobicContact CB-CE 4.13Å; D193-M197 HydrophobicContact CB-CG 4.49Å; D193-M197 HydrophobicContact CB-SD 4.23Å; D193-M197 VanDerWaalsContact O-CB 3.28Å; D193-M197 WeakPolarHBondContact O-CB 3.37Å; D193-M197 VanDerWaalsContact O-CG 3.31Å; D193-M197 WeakPolarHBondContact O-CG 3.44Å; D193-M197 PolarHBondContact O-N 3.15Å; D193-Y225 VanDerWaalsContact CA-OH 3.32Å; D193-Y225 WeakPolarHBondContact CA-OH 3.3Å; D193-Y225 VanDerWaalsContact OD1-CE2 3.26Å; D193-Y225 WeakPolarHBondContact OD1-CE2 3.31Å; D193-Y225 PolarHBondContact OD1-OH 3.33Å
194C98.7Very high97.8Very high0 Ų017.2 Ų17.20%010%0.102CC..Hα-helixtrans-61.9-27.6172.5-540000111.9E44 M47 E48 T190 M191 P198E44-C194 WeakPolarHBondContact CA-O 3.49Å; E44-C194 HydrophobicContact CG-CB 4.26Å; M47-C194 HydrophobicContact CB-CB 3.88Å; M47-C194 VanDerWaalsContact CB-SG 3.57Å; E48-C194 HydrophobicContact CG-CB 4.01Å; T190-C194 PolarHBondContact O-N 3.14Å; T190-C194 PolarHBondContact O-SG 2.93Å; M191-C194 CarbonylContact O-C 3.41Å; M191-C194 WeakPolarHBondContact O-CA 3.28Å; M191-C194 VanDerWaalsContact O-CB 3.32Å; M191-C194 WeakPolarHBondContact O-CB 3.45Å; M191-C194 PolarHBondContact O-N 3.34Å; M191-C194 VanDerWaalsContact O-N 3.11Å; C194-P198 VanDerWaalsContact O-CD 3.26Å; C194-P198 WeakPolarHBondContact O-CD 3.46Å; C194-P198 VanDerWaalsContact O-CG 3.24Å; C194-P198 WeakPolarHBondContact O-CG 3.45Å
195E98.5Very high97.9Very high39 Ų3917 Ų1718%0.18210%0.101CC..Hα-helixtrans-86.1-50.5175.5-163.6-173.7170.500112.5I125 M191 Y192 D193 R199I125-E195 HydrophobicContact CD1-CB 4.25Å; I125-E195 HydrophobicContact CG2-CB 4.44Å; I125-E195 VanDerWaalsContact CG2-CD 3.44Å; I125-E195 HydrophobicContact CG2-CG 3.76Å; I125-E195 WeakPolarHBondContact CG2-OE1 3.41Å; M191-E195 PolarHBondContact O-N 2.89Å; Y192-E195 PolarHBondContact O-N 3.19Å; D193-E195 PolarHBondContact O-N 3.14Å; E195-R199 VanDerWaalsContact O-CD 3.24Å; E195-R199 WeakPolarHBondContact O-CD 3.4Å; E195-R199 WeakPolarHBondContact O-CG 3.37Å; E195-R199 PolarHBondContact O-NH1 2.84Å; E195-R199 IonicContact OE1-CZ 2.69Å; E195-R199 IonicContact OE1-NE 2.76Å; E195-R199 PolarHBondContact OE1-NE 2.93Å; E195-R199 IonicContact OE1-NH2 2.93Å; E195-R199 PolarHBondContact OE1-NH2 3.16Å
196L98.8Very high98Very high1 Ų115.1 Ų15.11%0.0059%0.089CC..Hα-helixtrans-77.5-42.5-169.8-179.360.2000113I125 L128 I172 L184 Y192 D193 R199 L200 Y225I125-L196 HydrophobicContact CD1-CB 4.01Å; I125-L196 HydrophobicContact CG1-CB 4.11Å; I125-L196 HydrophobicContact CG1-CD1 4.2Å; L128-L196 HydrophobicContact CD2-CD1 3.67Å; I172-L196 HydrophobicContact CD1-CD1 4.1Å; I172-L196 HydrophobicContact CG2-CD2 4.1Å; L184-L196 HydrophobicContact CD1-CD2 3.99Å; L184-L196 HydrophobicContact CD2-CB 4.45Å; L184-L196 HydrophobicContact CD2-CD2 3.57Å; L184-L196 HydrophobicContact CG-CD2 4.36Å; Y192-L196 WeakPolarHBondContact O-CB 3.46Å; Y192-L196 PolarHBondContact O-N 2.9Å; D193-L196 PolarHBondContact O-N 3.33Å; L196-R199 PolarHBondContact O-N 3.28Å; L196-R199 VanDerWaalsContact O-N 3.17Å; L196-L200 HydrophobicContact CD1-CD1 4.01Å; L196-L200 HydrophobicContact CD1-CD2 4.35Å; L196-L200 HydrophobicContact CD1-CG 3.81Å; L196-L200 HydrophobicContact CD2-CD1 4.19Å; L196-L200 HydrophobicContact CG-CD1 3.76Å; L196-L200 HydrophobicContact CG-CG 4.06Å; L196-L200 WeakPolarHBondContact O-CG 3.28Å; L196-L200 PolarHBondContact O-N 3.18Å; L196-Y225 HydrophobicContact CD2-CE1 3.76Å; L196-Y225 HydrophobicContact CG-CE1 4.03Å
197M98.8Very high98Very high3 Ų314.3 Ų14.32%0.0158%0.081CC..Hα-helixtrans-60.7-47.6-176.6-64.5178.2169.100111.9M47 Y183 D193 R199 L200 H201 Y225 T228 A229 F235M47-M197 HydrophobicContact CE-SD 4.1Å; Y183-M197 HydrophobicContact CD1-CE 3.67Å; Y183-M197 HydrophobicContact CE1-CE 3.83Å; D193-M197 HydrophobicContact CB-CE 4.13Å; D193-M197 HydrophobicContact CB-CG 4.49Å; D193-M197 HydrophobicContact CB-SD 4.23Å; D193-M197 VanDerWaalsContact O-CB 3.28Å; D193-M197 WeakPolarHBondContact O-CB 3.37Å; D193-M197 VanDerWaalsContact O-CG 3.31Å; D193-M197 WeakPolarHBondContact O-CG 3.44Å; D193-M197 PolarHBondContact O-N 3.15Å; M197-R199 VanDerWaalsContact C-N 3.33Å; M197-R199 PolarHBondContact O-N 3.11Å; M197-L200 PolarHBondContact O-N 3.28Å; M197-H201 PolarHBondContact O-N 3.4Å; M197-Y225 HydrophobicContact CE-CD2 4.35Å; M197-Y225 HydrophobicContact CE-CE1 4.22Å; M197-Y225 HydrophobicContact CE-CE2 3.7Å; M197-Y225 HydrophobicContact CG-CE1 3.7Å; M197-T228 HydrophobicContact CE-CG2 4.12Å; M197-A229 HydrophobicContact CB-CB 3.93Å; M197-A229 HydrophobicContact CE-CB 4.05Å; M197-A229 HydrophobicContact CG-CB 3.74Å; M197-A229 HydrophobicContact SD-CB 3.47Å; M197-A229 WeakPolarHBondContact SD-CB 3.42Å; M197-F235 HydrophobicContact CB-CD2 3.71Å; M197-F235 HydrophobicContact CB-CE2 3.94Å
198P98.9Very high98Very high0 Ų013.9 Ų13.90%07%0.069CC..Hα-helixtrans-55.6-44.8172.2-31.541.4000113.2L40 Q43 M47 C194 H201 H202L40-P198 HydrophobicContact CD2-CB 3.61Å; Q43-P198 HydrophobicContact CB-CB 4.43Å; Q43-P198 HydrophobicContact CB-CG 4.21Å; Q43-P198 HydrophobicContact CG-CB 4.3Å; Q43-P198 HydrophobicContact CG-CG 3.8Å; M47-P198 HydrophobicContact SD-CG 3.78Å; C194-P198 VanDerWaalsContact O-CD 3.26Å; C194-P198 WeakPolarHBondContact O-CD 3.46Å; C194-P198 VanDerWaalsContact O-CG 3.24Å; C194-P198 WeakPolarHBondContact O-CG 3.45Å; P198-H201 PolarHBondContact O-N 3.02Å; P198-H202 WeakPolarHBondContact O-CB 3.42Å; P198-H202 PolarHBondContact O-CD2 3.23Å; P198-H202 PolarHBondContact O-N 2.86Å
199R98.8Very high97.8Very high14 Ų1415.6 Ų15.65%0.0537%0.072CC..Hα-helixtrans-64.9-42.3-179.1-72.4166.217864.1-9.8112L40 E44 Y129 E195 L196 M197 H202 I203L40-R199 HydrophobicContact CD1-CG 3.81Å; L40-R199 HydrophobicContact CD2-CG 4.04Å; E44-R199 IonicContact OE2-NH1 3.51Å; E44-R199 IonicContact OE2-NH2 2.86Å; Y129-R199 HydrophobicContact CD2-CB 4.04Å; Y129-R199 HydrophobicContact CD2-CG 3.81Å; Y129-R199 HydrophobicContact CE2-CG 4.28Å; Y129-R199 HydrophobicContact CG-CG 4.06Å; E195-R199 VanDerWaalsContact O-CD 3.24Å; E195-R199 WeakPolarHBondContact O-CD 3.4Å; E195-R199 WeakPolarHBondContact O-CG 3.37Å; E195-R199 PolarHBondContact O-NH1 2.84Å; E195-R199 IonicContact OE1-CZ 2.69Å; E195-R199 IonicContact OE1-NE 2.76Å; E195-R199 PolarHBondContact OE1-NE 2.93Å; E195-R199 IonicContact OE1-NH2 2.93Å; E195-R199 PolarHBondContact OE1-NH2 3.16Å; L196-R199 PolarHBondContact O-N 3.28Å; L196-R199 VanDerWaalsContact O-N 3.17Å; M197-R199 VanDerWaalsContact C-N 3.33Å; M197-R199 PolarHBondContact O-N 3.11Å; R199-H202 PolarHBondContact O-N 3.43Å; R199-I203 WeakPolarHBondContact O-CB 3.39Å; R199-I203 WeakPolarHBondContact O-CD1 3.36Å; R199-I203 WeakPolarHBondContact O-CG1 3.21Å; R199-I203 PolarHBondContact O-N 2.67Å
200L98.9Very high97.5Very high1 Ų115.6 Ų15.61%0.0057%0.072CC..Hα-helixtrans-63.6-42.8175.1-74172.7000111.8L128 L169 L196 M197 I203 R204 L222 Y225 M226L128-L200 HydrophobicContact CD2-CD2 3.83Å; L128-L200 HydrophobicContact CD2-CG 4.45Å; L169-L200 HydrophobicContact CD2-CD2 3.79Å; L196-L200 HydrophobicContact CD1-CD1 4.01Å; L196-L200 HydrophobicContact CD1-CD2 4.35Å; L196-L200 HydrophobicContact CD1-CG 3.81Å; L196-L200 HydrophobicContact CD2-CD1 4.19Å; L196-L200 HydrophobicContact CG-CD1 3.76Å; L196-L200 HydrophobicContact CG-CG 4.06Å; L196-L200 WeakPolarHBondContact O-CG 3.28Å; L196-L200 PolarHBondContact O-N 3.18Å; M197-L200 PolarHBondContact O-N 3.28Å; L200-I203 WeakPolarHBondContact O-CB 3.3Å; L200-I203 PolarHBondContact O-N 2.98Å; L200-R204 PolarHBondContact O-N 3.12Å; L200-L222 HydrophobicContact CD1-CD1 3.7Å; L200-L222 HydrophobicContact CD2-CD1 3.96Å; L200-L222 HydrophobicContact CD2-CD2 4.39Å; L200-Y225 HydrophobicContact CD1-CD1 3.7Å; L200-Y225 HydrophobicContact CD1-CE1 3.81Å; L200-M226 HydrophobicContact CB-CG 4.49Å; L200-M226 HydrophobicContact CD1-CG 4.37Å
201H98.8Very high97.2Very high2 Ų215.8 Ų15.81%0.0097%0.073CC..Hα-helixtrans-65.1-41.7177.2-169.863.5000111.6M197 P198 I203 R204 I205 Y230 F235 C239 T269M197-H201 PolarHBondContact O-N 3.4Å; P198-H201 PolarHBondContact O-N 3.02Å; H201-I203 PolarHBondContact O-N 3.45Å; H201-R204 WeakPolarHBondContact O-CB 3.17Å; H201-R204 PolarHBondContact O-N 2.95Å; H201-I205 WeakPolarHBondContact O-CG1 3.4Å; H201-I205 PolarHBondContact O-N 2.86Å; H201-Y230 AromaticContact CE1-CE1 3.99Å; H201-Y230 AromaticContact ND1-CE1 3.5Å; H201-Y230 WeakPolarHBondContact ND1-CE1 3.5Å; H201-Y230 AromaticContact ND1-CZ 3.65Å; H201-Y230 PolarHBondContact ND1-OH 3.43Å; H201-F235 HydrophobicContact CB-CE2 4.14Å; H201-F235 HydrophobicContact CB-CZ 3.71Å; H201-F235 AromaticContact CG-CZ 3.76Å; H201-C239 PolarHBondContact CD2-SG 3.46Å; H201-T269 PolarHBondContact CE1-O 2.9Å
202H98.8Very high96.9Very high0 Ų019 Ų190%010%0.104CC..Hα-helixtrans-60.1-44.9172.4-82.4-136.5000112.7A38 P198 R199 R204 I205 A206 I245 Y249A38-H202 PolarHBondContact O-CE1 3.46Å; P198-H202 WeakPolarHBondContact O-CB 3.42Å; P198-H202 PolarHBondContact O-CD2 3.23Å; P198-H202 PolarHBondContact O-N 2.86Å; R199-H202 PolarHBondContact O-N 3.43Å; H202-R204 VanDerWaalsContact C-N 3.27Å; H202-R204 PolarHBondContact O-N 3.1Å; H202-I205 PolarHBondContact O-N 2.93Å; H202-A206 VanDerWaalsContact O-CB 3.28Å; H202-A206 WeakPolarHBondContact O-CB 3.49Å; H202-A206 PolarHBondContact O-N 3.41Å; H202-I245 HydrophobicContact CB-CG2 4.43Å; H202-Y249 HydrophobicContact CB-CE2 4Å; H202-Y249 WeakPolarHBondContact CB-OH 3.39Å; H202-Y249 AromaticContact CG-CE2 4Å; H202-Y249 AromaticContact ND1-CE2 3.4Å; H202-Y249 WeakPolarHBondContact ND1-CE2 3.1Å; H202-Y249 AromaticContact ND1-CZ 3.58Å; H202-Y249 PolarHBondContact ND1-OH 2.7Å
203I98.7Very high96.8Very high0 Ų018.8 Ų18.80%010%0.103CC..Hα-helixtrans-56.1-45.1175-74.6161.8000110.5L128 F132 R199 L200 H201 G207 F213 I215L128-I203 HydrophobicContact CD1-CD1 3.91Å; L128-I203 HydrophobicContact CD2-CD1 3.72Å; L128-I203 HydrophobicContact CG-CD1 3.71Å; F132-I203 HydrophobicContact CB-CD1 4.17Å; F132-I203 HydrophobicContact CB-CG1 3.86Å; F132-I203 HydrophobicContact CD1-CG1 3.79Å; F132-I203 HydrophobicContact CD2-CB 4.28Å; F132-I203 HydrophobicContact CD2-CG1 3.7Å; F132-I203 HydrophobicContact CD2-CG2 4.26Å; F132-I203 HydrophobicContact CE1-CG1 4.25Å; F132-I203 HydrophobicContact CE2-CB 4.39Å; F132-I203 HydrophobicContact CE2-CG1 4.18Å; F132-I203 HydrophobicContact CE2-CG2 4.49Å; F132-I203 HydrophobicContact CG-CD1 4.34Å; F132-I203 HydrophobicContact CG-CG1 3.49Å; F132-I203 VanDerWaalsContact CG-CG1 3.49Å; F132-I203 HydrophobicContact CZ-CG1 4.44Å; R199-I203 WeakPolarHBondContact O-CB 3.39Å; R199-I203 WeakPolarHBondContact O-CD1 3.36Å; R199-I203 WeakPolarHBondContact O-CG1 3.21Å; R199-I203 PolarHBondContact O-N 2.67Å; L200-I203 WeakPolarHBondContact O-CB 3.3Å; L200-I203 PolarHBondContact O-N 2.98Å; H201-I203 PolarHBondContact O-N 3.45Å; I203-G207 WeakPolarHBondContact O-CA 3.38Å; I203-G207 PolarHBondContact O-N 2.79Å; I203-F213 HydrophobicContact CG2-CD1 4.25Å; I203-F213 HydrophobicContact CG2-CE1 3.64Å; I203-I215 HydrophobicContact CG2-CD1 4.28Å; I203-I215 HydrophobicContact CG2-CG1 4.18Å
204R98.3Very high96.6Very high20 Ų2024 Ų248%0.07513%0.127CC..Hα-helixtrans-62.3-57.5177.6-179.6-173.7174.8-178.214.5111.5L200 H201 H202 Q208 I215 M226 Y230 T269 T271L200-R204 PolarHBondContact O-N 3.12Å; H201-R204 WeakPolarHBondContact O-CB 3.17Å; H201-R204 PolarHBondContact O-N 2.95Å; H202-R204 VanDerWaalsContact C-N 3.27Å; H202-R204 PolarHBondContact O-N 3.1Å; R204-Q208 VanDerWaalsContact O-CB 3.23Å; R204-Q208 WeakPolarHBondContact O-CB 3.1Å; R204-Q208 PolarHBondContact O-N 3.16Å; R204-I215 HydrophobicContact CB-CD1 4.13Å; R204-M226 HydrophobicContact CB-CE 4.23Å; R204-Y230 VanDerWaalsContact NH1-CE2 3.26Å; R204-Y230 PolarHBondContact NH1-OH 3.29Å; R204-T269 PolarHBondContact NH1-O 3.12Å; R204-T269 VanDerWaalsContact NH1-O 3.08Å; R204-T271 PolarHBondContact NH1-O 2.74Å; R204-T271 PolarHBondContact NH2-O 3.04Å; R204-T271 PolarHBondContact NH2-OG1 3.02Å; R204-T271 VanDerWaalsContact NH2-OG1 3.08Å
205I98.1Very high96.6Very high0 Ų024 Ų240%013%0.128CC..Hα-helixtrans-68.7-54.4-172.2-60.4-51.5000111.1H201 H202 Q208 H209 D242 I245 T269H201-I205 WeakPolarHBondContact O-CG1 3.4Å; H201-I205 PolarHBondContact O-N 2.86Å; H202-I205 PolarHBondContact O-N 2.93Å; I205-Q208 PolarHBondContact O-N 2.65Å; I205-H209 WeakPolarHBondContact O-CB 3.39Å; I205-H209 PolarHBondContact O-N 3.06Å; I205-H209 PolarHBondContact O-ND1 3.08Å; I205-D242 HydrophobicContact CG2-CB 3.85Å; I205-I245 HydrophobicContact CB-CD1 4.19Å; I205-I245 HydrophobicContact CB-CG2 4.14Å; I205-I245 HydrophobicContact CG1-CD1 4.05Å; I205-I245 HydrophobicContact CG2-CB 4.07Å; I205-I245 HydrophobicContact CG2-CD1 4.34Å; I205-I245 HydrophobicContact CG2-CG2 4.11Å; I205-T269 HydrophobicContact CD1-CG2 4.48Å
206A97Very high96.6Very high0 Ų023.6 Ų23.60%013%0.128CC..Hα-helixtrans-71-35.2-177.400000111.9F132 H202 L210 I245 Y249F132-A206 HydrophobicContact CZ-CB 4.05Å; H202-A206 VanDerWaalsContact O-CB 3.28Å; H202-A206 WeakPolarHBondContact O-CB 3.49Å; H202-A206 PolarHBondContact O-N 3.41Å; A206-L210 HydrophobicContact CB-CD1 4.39Å; A206-L210 VanDerWaalsContact O-CB 3.23Å; A206-L210 WeakPolarHBondContact O-CB 3.38Å; A206-L210 WeakPolarHBondContact O-CG 3.33Å; A206-L210 PolarHBondContact O-N 3.37Å; A206-I245 HydrophobicContact CB-CG2 4.26Å; A206-Y249 HydrophobicContact CB-CD2 3.29Å; A206-Y249 HydrophobicContact CB-CE2 3.64Å; A206-Y249 HydrophobicContact CB-CG 3.92Å
207G96Very high96.6Very high0 Ų026.1 Ų26.10%014%0.14CC..Hα-helixtrans-60.2-46.8173.700000112.1I203 C211 A212 F213I203-G207 WeakPolarHBondContact O-CA 3.38Å; I203-G207 PolarHBondContact O-N 2.79Å; G207-C211 CarbonylContact O-C 3.59Å; G207-C211 WeakPolarHBondContact O-CA 3.39Å; G207-C211 WeakPolarHBondContact O-CB 3.37Å; G207-C211 PolarHBondContact O-N 2.98Å; G207-A212 PolarHBondContact O-N 3.23Å; G207-A212 VanDerWaalsContact O-N 3.12Å; G207-F213 CarbonylContact C-O 3.46Å; G207-F213 PolarHBondContact O-N 3.26Å
208Q94.6Very high96.5Very high83 Ų8330.3 Ų30.339%0.38817%0.169SC..Hα-helixtrans-65-49.5178.3-171.5175.620.600111.4R204 I205 A212 F213R204-Q208 VanDerWaalsContact O-CB 3.23Å; R204-Q208 WeakPolarHBondContact O-CB 3.1Å; R204-Q208 PolarHBondContact O-N 3.16Å; I205-Q208 PolarHBondContact O-N 2.65Å; Q208-A212 WeakPolarHBondContact O-CA 3.5Å; Q208-A212 PolarHBondContact O-N 3.38Å; Q208-F213 VanDerWaalsContact CA-O 3.28Å; Q208-F213 WeakPolarHBondContact CA-O 3.35Å; Q208-F213 PolarHBondContact N-O 3.01Å; Q208-F213 VanDerWaalsContact N-O 3.14Å
209H92.1Very high96.5Very high105 Ų10530.8 Ų30.849%0.48617%0.172SC..Hα-helixtrans-72-34.7-173.8-74.883.6000114.1I205I205-H209 WeakPolarHBondContact O-CB 3.39Å; I205-H209 PolarHBondContact O-N 3.06Å; I205-H209 PolarHBondContact O-ND1 3.08Å
210L91.2Very high96.5Very high24 Ų2430.9 Ų30.913%0.12617%0.174CC..Hα-helixtrans-103.1-19.5-173.3-57.4179.9000113.5L136 A206 K250 L253 L255L136-L210 HydrophobicContact CD1-CB 3.98Å; L136-L210 HydrophobicContact CD1-CD1 4Å; A206-L210 HydrophobicContact CB-CD1 4.39Å; A206-L210 VanDerWaalsContact O-CB 3.23Å; A206-L210 WeakPolarHBondContact O-CB 3.38Å; A206-L210 WeakPolarHBondContact O-CG 3.33Å; A206-L210 PolarHBondContact O-N 3.37Å; L210-K250 HydrophobicContact CD1-CG 4.48Å; L210-K250 HydrophobicContact CD2-CD 4.1Å; L210-K250 HydrophobicContact CD2-CG 3.7Å; L210-L253 HydrophobicContact CD1-CD1 4.38Å; L210-L255 HydrophobicContact CD2-CD1 4.48Å
211C91.6Very high96.4Very high7 Ų732.6 Ų32.65%0.04718%0.182CC..Hα-helixtrans-140.54-169.4-69.30000114.3F135 K139 G207 F213F135-C211 HydrophobicContact CE1-CB 3.87Å; F135-C211 HydrophobicContact CZ-CB 3.99Å; K139-C211 HydrophobicContact CB-CB 4.36Å; K139-C211 VanDerWaalsContact CB-SG 3.6Å; K139-C211 HydrophobicContact CG-CB 3.75Å; K139-C211 WeakPolarHBondContact CG-SG 3.4Å; G207-C211 CarbonylContact O-C 3.59Å; G207-C211 WeakPolarHBondContact O-CA 3.39Å; G207-C211 WeakPolarHBondContact O-CB 3.37Å; G207-C211 PolarHBondContact O-N 2.98Å; C211-F213 HydrophobicContact CB-CB 4.43Å; C211-F213 PolarHBondContact O-N 3.36Å
212A92Very high96.4Very high91 Ų9132.5 Ų32.575%0.75218%0.182SC*.  trans50.235-171.600000112.8G207 Q208G207-A212 PolarHBondContact O-N 3.23Å; G207-A212 VanDerWaalsContact O-N 3.12Å; Q208-A212 WeakPolarHBondContact O-CA 3.5Å; Q208-A212 PolarHBondContact O-N 3.38Å
213F95.1Very high96.4Very high4 Ų432.8 Ų32.82%0.01818%0.182CC..  trans-89.8133.3177172.7-93.9000110.5F135 Y162 L165 V166 L169 I203 G207 Q208 C211 I215F135-F213 HydrophobicContact CE1-CB 3.72Å; F135-F213 AromaticContact CE1-CD2 4Å; F135-F213 HydrophobicContact CE1-CD2 4Å; F135-F213 AromaticContact CE1-CG 3.93Å; F135-F213 HydrophobicContact CE1-CG 3.93Å; F135-F213 HydrophobicContact CZ-CB 4.04Å; F135-F213 HydrophobicContact CZ-CD2 4.17Å; F135-F213 HydrophobicContact CZ-CG 4.4Å; Y162-F213 AromaticContact CD2-CD2 3.98Å; Y162-F213 HydrophobicContact CD2-CD2 3.98Å; Y162-F213 HydrophobicContact CD2-CE2 4.17Å; Y162-F213 AromaticContact CE2-CD2 3.67Å; Y162-F213 HydrophobicContact CE2-CD2 3.67Å; Y162-F213 AromaticContact CE2-CE2 3.75Å; Y162-F213 HydrophobicContact CE2-CE2 3.75Å; L165-F213 HydrophobicContact CD2-CD1 4.48Å; L165-F213 HydrophobicContact CD2-CD2 4.3Å; L165-F213 HydrophobicContact CD2-CE1 4.06Å; L165-F213 HydrophobicContact CD2-CE2 3.86Å; L165-F213 HydrophobicContact CD2-CZ 3.74Å; L165-F213 HydrophobicContact CG-CE2 4.42Å; L165-F213 HydrophobicContact CG-CZ 4.16Å; V166-F213 HydrophobicContact CG2-CE2 4.28Å; L169-F213 HydrophobicContact CD1-CE1 4.32Å; L169-F213 HydrophobicContact CD1-CZ 3.7Å; I203-F213 HydrophobicContact CG2-CD1 4.25Å; I203-F213 HydrophobicContact CG2-CE1 3.64Å; G207-F213 CarbonylContact C-O 3.46Å; G207-F213 PolarHBondContact O-N 3.26Å; Q208-F213 VanDerWaalsContact CA-O 3.28Å; Q208-F213 WeakPolarHBondContact CA-O 3.35Å; Q208-F213 PolarHBondContact N-O 3.01Å; Q208-F213 VanDerWaalsContact N-O 3.14Å; C211-F213 HydrophobicContact CB-CB 4.43Å; C211-F213 PolarHBondContact O-N 3.36Å; F213-I215 HydrophobicContact CE1-CG1 3.96Å
214E96.1Very high96.4Very high110 Ų11033.1 Ų33.151%0.51419%0.185SC..  trans-122.1138.6171-65.6-174162.900109.5
215I98.3Very high96.4Very high1 Ų132.3 Ų32.31%0.00518%0.181CC..  trans-63.9125.3172.2-64.5172.4000107.1L169 I203 R204 F213 H217 L219 L222 W223 M226L169-I215 HydrophobicContact CD1-CG1 4.41Å; I203-I215 HydrophobicContact CG2-CD1 4.28Å; I203-I215 HydrophobicContact CG2-CG1 4.18Å; R204-I215 HydrophobicContact CB-CD1 4.13Å; F213-I215 HydrophobicContact CE1-CG1 3.96Å; I215-H217 PolarHBondContact O-N 3.31Å; I215-L219 HydrophobicContact CG2-CD1 4.33Å; I215-L222 HydrophobicContact CG2-CD2 3.91Å; I215-W223 HydrophobicContact CB-CH2 4.46Å; I215-W223 HydrophobicContact CB-CZ2 3.76Å; I215-W223 HydrophobicContact CG2-CZ2 4.18Å; I215-W223 WeakPolarHBondContact O-CZ2 3.37Å; I215-W223 PolarHBondContact O-NE1 2.85Å; I215-M226 HydrophobicContact CD1-CE 4.23Å; I215-M226 HydrophobicContact CD1-SD 3.62Å
216P98Very high96.5Very high30 Ų3032.5 Ų32.520%0.19518%0.182CC..  trans-55.2128.9-173.8-24.331000112.2V166 S218 L219 W223V166-P216 HydrophobicContact CG1-CG 4.24Å; V166-P216 HydrophobicContact CG2-CG 4.5Å; P216-S218 PolarHBondContact O-N 3.11Å; P216-S218 VanDerWaalsContact O-N 3.16Å; P216-L219 HydrophobicContact CB-CD1 4.36Å; P216-L219 HydrophobicContact CB-CG 4.16Å; P216-L219 HydrophobicContact CG-CD1 4.24Å; P216-L219 WeakPolarHBondContact O-CB 3.32Å; P216-L219 PolarHBondContact O-N 3.35Å; P216-L219 VanDerWaalsContact O-N 3.1Å; P216-W223 PolarHBondContact O-NE1 2.83Å; P216-W223 VanDerWaalsContact O-NE1 3.12Å
217H97.9Very high96.5Very high53 Ų5333.3 Ų33.325%0.24519%0.187CC..THydrogen-bonded Turntrans-63.1-21.8-177-63.8175.3000113.4I215 L219 P273 E275I215-H217 PolarHBondContact O-N 3.31Å; H217-L219 PolarHBondContact O-N 3.41Å; H217-P273 WeakPolarHBondContact NE2-CB 3.42Å; H217-P273 WeakPolarHBondContact NE2-CG 3.47Å; H217-E275 IonicContact ND1-OE2 3.39Å; H217-E275 PolarHBondContact ND1-OE2 3.5Å
218S97.7Very high96.6Very high91 Ų9133.8 Ų33.864%0.63619%0.189SC*.THydrogen-bonded Turntrans-69.6-13.2175.9560000114.3P216 V220P216-S218 PolarHBondContact O-N 3.11Å; P216-S218 VanDerWaalsContact O-N 3.16Å; S218-V220 PolarHBondContact O-N 3.08Å
219L98.5Very high96.8Very high10 Ų1030 Ų305%0.05217%0.172CC..  trans-82.567.7176.3-56.1-177000110.3L169 T170 D173 I215 P216 H217 H221 L222 W223L169-L219 HydrophobicContact CB-CD1 3.69Å; T170-L219 HydrophobicContact CG2-CD2 4.47Å; D173-L219 HydrophobicContact CB-CB 4.11Å; D173-L219 HydrophobicContact CB-CD2 4.02Å; D173-L219 WeakPolarHBondContact OD1-CA 3.4Å; I215-L219 HydrophobicContact CG2-CD1 4.33Å; P216-L219 HydrophobicContact CB-CD1 4.36Å; P216-L219 HydrophobicContact CB-CG 4.16Å; P216-L219 HydrophobicContact CG-CD1 4.24Å; P216-L219 WeakPolarHBondContact O-CB 3.32Å; P216-L219 PolarHBondContact O-N 3.35Å; P216-L219 VanDerWaalsContact O-N 3.1Å; H217-L219 PolarHBondContact O-N 3.41Å; L219-H221 PolarHBondContact O-N 3.31Å; L219-L222 HydrophobicContact CB-CB 4Å; L219-L222 HydrophobicContact CB-CD2 4.36Å; L219-L222 HydrophobicContact CD1-CD2 3.98Å; L219-L222 WeakPolarHBondContact O-CB 3.19Å; L219-L222 PolarHBondContact O-N 3.24Å; L219-W223 VanDerWaalsContact O-CD1 3.3Å; L219-W223 PolarHBondContact O-N 2.95Å
220V98Very high97.1Very high16 Ų1625.9 Ų25.910%0.09715%0.153CC..Hα-helixtrans-65.1-36.8-167-172.10000112.7D173 S218 W223 N224 N279 I280 L283 L285D173-V220 PolarHBondContact OD1-N 2.88Å; S218-V220 PolarHBondContact O-N 3.08Å; V220-W223 PolarHBondContact O-N 3.01Å; V220-N224 WeakPolarHBondContact O-CB 3.32Å; V220-N224 PolarHBondContact O-N 3.48Å; V220-N279 HydrophobicContact CB-CB 4.49Å; V220-N279 HydrophobicContact CG1-CB 3.78Å; V220-N279 HydrophobicContact CG2-CB 3.78Å; V220-I280 HydrophobicContact CG1-CG1 3.81Å; V220-L283 HydrophobicContact CB-CD1 4.38Å; V220-L283 HydrophobicContact CG1-CD1 3.94Å; V220-L285 HydrophobicContact CG1-CD1 4.02Å
221H98.5Very high97.4Very high38 Ų3831.4 Ų31.418%0.17617%0.172CC..Hα-helixtrans-72.8-35.6179.4-6081.9000110.7D173 L176 S177 L219 N224 Y225D173-H221 WeakPolarHBondContact OD1-CA 3.5Å; D173-H221 WeakPolarHBondContact OD1-CB 3.42Å; D173-H221 PolarHBondContact OD1-N 2.74Å; D173-H221 IonicContact OD1-ND1 2.64Å; L176-H221 HydrophobicContact CB-CB 3.86Å; S177-H221 VanDerWaalsContact CA-CD2 3.4Å; S177-H221 WeakPolarHBondContact CA-CD2 3.46Å; S177-H221 PolarHBondContact OG-CE1 3.27Å; S177-H221 PolarHBondContact OG-NE2 3.1Å; S177-H221 VanDerWaalsContact OG-NE2 3.16Å; L219-H221 PolarHBondContact O-N 3.31Å; H221-N224 WeakPolarHBondContact O-CB 3.43Å; H221-N224 PolarHBondContact O-N 3.42Å; H221-Y225 WeakPolarHBondContact O-CB 3.33Å; H221-Y225 PolarHBondContact O-N 2.88Å
222L98.7Very high97.7Very high0 Ų031.4 Ų31.40%017%0.171CC..Hα-helixtrans-65.3-44.4172.6-173.465.5000111.8L169 I172 D173 L176 L200 I215 L219 N224 Y225 M226L169-L222 HydrophobicContact CB-CD2 4.11Å; L169-L222 HydrophobicContact CD2-CD2 3.74Å; I172-L222 HydrophobicContact CB-CD1 4.47Å; I172-L222 HydrophobicContact CG2-CD1 3.78Å; D173-L222 HydrophobicContact CB-CB 4.08Å; D173-L222 PolarHBondContact OD1-N 2.79Å; L176-L222 HydrophobicContact CD1-CB 4.45Å; L176-L222 HydrophobicContact CD1-CD1 4Å; L200-L222 HydrophobicContact CD1-CD1 3.7Å; L200-L222 HydrophobicContact CD2-CD1 3.96Å; L200-L222 HydrophobicContact CD2-CD2 4.39Å; I215-L222 HydrophobicContact CG2-CD2 3.91Å; L219-L222 HydrophobicContact CB-CB 4Å; L219-L222 HydrophobicContact CB-CD2 4.36Å; L219-L222 HydrophobicContact CD1-CD2 3.98Å; L219-L222 WeakPolarHBondContact O-CB 3.19Å; L219-L222 PolarHBondContact O-N 3.24Å; L222-N224 VanDerWaalsContact C-N 3.3Å; L222-N224 PolarHBondContact O-N 3.44Å; L222-Y225 WeakPolarHBondContact O-CB 3.42Å; L222-Y225 PolarHBondContact O-N 3.16Å; L222-Y225 VanDerWaalsContact O-N 3.16Å; L222-M226 WeakPolarHBondContact O-CG 3.47Å; L222-M226 PolarHBondContact O-N 2.88Å
223W98.6Very high98Very high5 Ų528.4 Ų28.42%0.01915%0.147CC..Hα-helixtrans-64.5-34.7174.4-81.5112.5000112.2I215 P216 L219 V220 M226 L227 I272 P273 A276 I280I215-W223 HydrophobicContact CB-CH2 4.46Å; I215-W223 HydrophobicContact CB-CZ2 3.76Å; I215-W223 HydrophobicContact CG2-CZ2 4.18Å; I215-W223 WeakPolarHBondContact O-CZ2 3.37Å; I215-W223 PolarHBondContact O-NE1 2.85Å; P216-W223 PolarHBondContact O-NE1 2.83Å; P216-W223 VanDerWaalsContact O-NE1 3.12Å; L219-W223 VanDerWaalsContact O-CD1 3.3Å; L219-W223 PolarHBondContact O-N 2.95Å; V220-W223 PolarHBondContact O-N 3.01Å; W223-M226 HydrophobicContact CD2-SD 4.49Å; W223-M226 HydrophobicContact CE3-CB 4.33Å; W223-M226 HydrophobicContact CE3-CE 4.34Å; W223-M226 HydrophobicContact CE3-SD 3.91Å; W223-M226 HydrophobicContact CH2-CE 4.48Å; W223-M226 HydrophobicContact CZ3-CE 3.85Å; W223-M226 HydrophobicContact CZ3-SD 3.92Å; W223-M226 PolarHBondContact O-N 3.2Å; W223-L227 PolarHBondContact O-N 3.36Å; W223-I272 HydrophobicContact CE3-CD1 3.81Å; W223-I272 HydrophobicContact CE3-CG2 4.16Å; W223-I272 HydrophobicContact CZ3-CD1 4.23Å; W223-P273 HydrophobicContact CE3-CG 4.49Å; W223-P273 VanDerWaalsContact CH2-CD 3.48Å; W223-P273 HydrophobicContact CH2-CG 3.62Å; W223-P273 HydrophobicContact CZ2-CG 3.64Å; W223-P273 HydrophobicContact CZ3-CG 4.07Å; W223-A276 HydrophobicContact CB-CB 3.99Å; W223-A276 HydrophobicContact CD2-CB 4.28Å; W223-A276 HydrophobicContact CG-CB 3.77Å; W223-I280 HydrophobicContact CB-CD1 4.11Å
224N98.5Very high98.2Very high8 Ų828.3 Ų28.34%0.04315%0.147CC..Hα-helixtrans-63-42.4170.7-168.358.3000111.7V220 H221 L222 M226 L227 T228 I280 L285V220-N224 WeakPolarHBondContact O-CB 3.32Å; V220-N224 PolarHBondContact O-N 3.48Å; H221-N224 WeakPolarHBondContact O-CB 3.43Å; H221-N224 PolarHBondContact O-N 3.42Å; L222-N224 VanDerWaalsContact C-N 3.3Å; L222-N224 PolarHBondContact O-N 3.44Å; N224-M226 VanDerWaalsContact C-N 3.33Å; N224-M226 PolarHBondContact O-N 3.28Å; N224-L227 CarbonylContact O-C 3.58Å; N224-L227 WeakPolarHBondContact O-CA 3.33Å; N224-L227 WeakPolarHBondContact O-CB 3.33Å; N224-L227 PolarHBondContact O-N 3.28Å; N224-L227 VanDerWaalsContact O-N 3.12Å; N224-T228 PolarHBondContact O-N 3.23Å; N224-T228 PolarHBondContact O-OG1 2.9Å; N224-I280 HydrophobicContact CB-CD1 4.16Å; N224-I280 HydrophobicContact CB-CG1 4.04Å; N224-I280 WeakPolarHBondContact OD1-CG2 3.5Å; N224-L285 HydrophobicContact CB-CB 4.2Å; N224-L285 HydrophobicContact CB-CD1 4.4Å; N224-L285 PolarHBondContact ND2-O 3.42Å; N224-L285 PolarHBondContact OD1-O 2.95Å
225Y98.7Very high98.3Very high3 Ų323 Ų231%0.01212%0.122CC..Hα-helixtrans-64.1-37.3175.7-178.4-101.5000112.5L176 L184 D193 L196 M197 L200 H221 L222 T228 A229L176-Y225 HydrophobicContact CD1-CD1 4.46Å; L176-Y225 HydrophobicContact CD1-CG 3.98Å; L176-Y225 HydrophobicContact CD2-CD2 3.77Å; L176-Y225 HydrophobicContact CD2-CE2 4.4Å; L176-Y225 HydrophobicContact CD2-CG 4.06Å; L184-Y225 HydrophobicContact CB-CE2 4.11Å; D193-Y225 VanDerWaalsContact CA-OH 3.32Å; D193-Y225 WeakPolarHBondContact CA-OH 3.3Å; D193-Y225 VanDerWaalsContact OD1-CE2 3.26Å; D193-Y225 WeakPolarHBondContact OD1-CE2 3.31Å; D193-Y225 PolarHBondContact OD1-OH 3.33Å; L196-Y225 HydrophobicContact CD2-CE1 3.76Å; L196-Y225 HydrophobicContact CG-CE1 4.03Å; M197-Y225 HydrophobicContact CE-CD2 4.35Å; M197-Y225 HydrophobicContact CE-CE1 4.22Å; M197-Y225 HydrophobicContact CE-CE2 3.7Å; M197-Y225 HydrophobicContact CG-CE1 3.7Å; L200-Y225 HydrophobicContact CD1-CD1 3.7Å; L200-Y225 HydrophobicContact CD1-CE1 3.81Å; H221-Y225 WeakPolarHBondContact O-CB 3.33Å; H221-Y225 PolarHBondContact O-N 2.88Å; L222-Y225 WeakPolarHBondContact O-CB 3.42Å; L222-Y225 PolarHBondContact O-N 3.16Å; L222-Y225 VanDerWaalsContact O-N 3.16Å; Y225-T228 VanDerWaalsContact O-CB 3.32Å; Y225-T228 WeakPolarHBondContact O-CB 3.41Å; Y225-T228 PolarHBondContact O-N 2.95Å; Y225-A229 PolarHBondContact O-N 3.34Å
226M98.6Very high98.3Very high4 Ų425.5 Ų25.52%0.0214%0.135CC..Hα-helixtrans-65.7-37.4170.7-69-173.561.400112.3L200 R204 I215 L222 W223 N224 T228 A229 Y230 I272L200-M226 HydrophobicContact CB-CG 4.49Å; L200-M226 HydrophobicContact CD1-CG 4.37Å; R204-M226 HydrophobicContact CB-CE 4.23Å; I215-M226 HydrophobicContact CD1-CE 4.23Å; I215-M226 HydrophobicContact CD1-SD 3.62Å; L222-M226 WeakPolarHBondContact O-CG 3.47Å; L222-M226 PolarHBondContact O-N 2.88Å; W223-M226 HydrophobicContact CD2-SD 4.49Å; W223-M226 HydrophobicContact CE3-CB 4.33Å; W223-M226 HydrophobicContact CE3-CE 4.34Å; W223-M226 HydrophobicContact CE3-SD 3.91Å; W223-M226 HydrophobicContact CH2-CE 4.48Å; W223-M226 HydrophobicContact CZ3-CE 3.85Å; W223-M226 HydrophobicContact CZ3-SD 3.92Å; W223-M226 PolarHBondContact O-N 3.2Å; N224-M226 VanDerWaalsContact C-N 3.33Å; N224-M226 PolarHBondContact O-N 3.28Å; M226-T228 VanDerWaalsContact C-N 3.31Å; M226-A229 WeakPolarHBondContact O-CB 3.32Å; M226-A229 PolarHBondContact O-N 2.91Å; M226-Y230 HydrophobicContact CB-CE2 4.3Å; M226-Y230 HydrophobicContact CE-CE2 4.28Å; M226-Y230 WeakPolarHBondContact CE-OH 3.42Å; M226-Y230 VanDerWaalsContact O-CD2 3.24Å; M226-Y230 WeakPolarHBondContact O-CD2 3.5Å; M226-Y230 VanDerWaalsContact O-CG 3.27Å; M226-Y230 PolarHBondContact O-N 2.86Å; M226-I272 HydrophobicContact CB-CD1 4.29Å
227L98.4Very high98.3Very high17 Ų1728.4 Ų28.49%0.08915%0.145CC..Hα-helixtrans-62.7-39.3171.9178.260.3000111.4W223 N224 Y230 R231 I272 L277 I280W223-L227 PolarHBondContact O-N 3.36Å; N224-L227 CarbonylContact O-C 3.58Å; N224-L227 WeakPolarHBondContact O-CA 3.33Å; N224-L227 WeakPolarHBondContact O-CB 3.33Å; N224-L227 PolarHBondContact O-N 3.28Å; N224-L227 VanDerWaalsContact O-N 3.12Å; L227-Y230 PolarHBondContact O-N 3.33Å; L227-R231 WeakPolarHBondContact O-CG 3.37Å; L227-R231 PolarHBondContact O-N 3.41Å; L227-I272 HydrophobicContact CB-CD1 3.93Å; L227-I272 HydrophobicContact CB-CG1 3.98Å; L227-I272 HydrophobicContact CD1-CG1 3.93Å; L227-I272 HydrophobicContact CG-CG1 4.44Å; L227-L277 HydrophobicContact CD2-CD1 4.24Å; L227-I280 HydrophobicContact CD2-CD1 4.44Å; L227-I280 HydrophobicContact CD2-CG2 4.31Å
228T98.5Very high98.4Very high9 Ų926 Ų266%0.05514%0.135CC..Hα-helixtrans-57.1-49.4171-620000110.4R182 Y183 M197 N224 Y225 M226 Y230 R231 T232R182-T228 HydrophobicContact CG-CG2 3.8Å; R182-T228 PolarHBondContact O-OG1 2.59Å; Y183-T228 HydrophobicContact CD1-CG2 4.12Å; Y183-T228 HydrophobicContact CE1-CG2 3.79Å; M197-T228 HydrophobicContact CE-CG2 4.12Å; N224-T228 PolarHBondContact O-N 3.23Å; N224-T228 PolarHBondContact O-OG1 2.9Å; Y225-T228 VanDerWaalsContact O-CB 3.32Å; Y225-T228 WeakPolarHBondContact O-CB 3.41Å; Y225-T228 PolarHBondContact O-N 2.95Å; M226-T228 VanDerWaalsContact C-N 3.31Å; T228-Y230 VanDerWaalsContact C-N 3.3Å; T228-Y230 PolarHBondContact O-N 3.08Å; T228-R231 CarbonylContact O-C 3.53Å; T228-R231 WeakPolarHBondContact O-CA 3.26Å; T228-R231 PolarHBondContact O-N 3.45Å; T228-T232 PolarHBondContact O-N 3.31Å; T228-T232 PolarHBondContact O-OG1 2.9Å; T228-T232 VanDerWaalsContact O-OG1 3.04Å
229A98.7Very high98.4Very high3 Ų321.7 Ų21.73%0.02511%0.105CC..Hα-helixtrans-54.9-46.1176.900000112M197 Y225 M226 R231 T232 F235M197-A229 HydrophobicContact CB-CB 3.93Å; M197-A229 HydrophobicContact CE-CB 4.05Å; M197-A229 HydrophobicContact CG-CB 3.74Å; M197-A229 HydrophobicContact SD-CB 3.47Å; M197-A229 WeakPolarHBondContact SD-CB 3.42Å; Y225-A229 PolarHBondContact O-N 3.34Å; M226-A229 WeakPolarHBondContact O-CB 3.32Å; M226-A229 PolarHBondContact O-N 2.91Å; A229-R231 PolarHBondContact O-N 2.7Å; A229-R231 VanDerWaalsContact O-N 3.1Å; A229-T232 PolarHBondContact O-N 2.83Å; A229-F235 HydrophobicContact CB-CD1 4.21Å; A229-F235 HydrophobicContact CB-CD2 4.16Å; A229-F235 HydrophobicContact CB-CE1 4.49Å; A229-F235 HydrophobicContact CB-CE2 4.41Å; A229-F235 HydrophobicContact CB-CG 4.07Å; A229-F235 WeakPolarHBondContact O-CB 3.35Å; A229-F235 VanDerWaalsContact O-CD1 3.28Å; A229-F235 WeakPolarHBondContact O-CD1 3.32Å
230Y98.4Very high98.4Very high20 Ų2021.3 Ų21.38%0.07810%0.103CC..THydrogen-bonded Turntrans-70.4-2.7178.2-57.8-28000114.7H201 R204 M226 L227 T228 F235 I236 H270 T271 I272H201-Y230 AromaticContact CE1-CE1 3.99Å; H201-Y230 AromaticContact ND1-CE1 3.5Å; H201-Y230 WeakPolarHBondContact ND1-CE1 3.5Å; H201-Y230 AromaticContact ND1-CZ 3.65Å; H201-Y230 PolarHBondContact ND1-OH 3.43Å; R204-Y230 VanDerWaalsContact NH1-CE2 3.26Å; R204-Y230 PolarHBondContact NH1-OH 3.29Å; M226-Y230 HydrophobicContact CB-CE2 4.3Å; M226-Y230 HydrophobicContact CE-CE2 4.28Å; M226-Y230 WeakPolarHBondContact CE-OH 3.42Å; M226-Y230 VanDerWaalsContact O-CD2 3.24Å; M226-Y230 WeakPolarHBondContact O-CD2 3.5Å; M226-Y230 VanDerWaalsContact O-CG 3.27Å; M226-Y230 PolarHBondContact O-N 2.86Å; L227-Y230 PolarHBondContact O-N 3.33Å; T228-Y230 VanDerWaalsContact C-N 3.3Å; T228-Y230 PolarHBondContact O-N 3.08Å; Y230-F235 HydrophobicContact CD1-CD1 4.21Å; Y230-F235 AromaticContact CD1-CE1 3.6Å; Y230-F235 HydrophobicContact CD1-CE1 3.6Å; Y230-F235 HydrophobicContact CD1-CZ 4.33Å; Y230-F235 AromaticContact CE1-CE1 3.7Å; Y230-F235 HydrophobicContact CE1-CE1 3.7Å; Y230-F235 AromaticContact CE1-CZ 4Å; Y230-F235 HydrophobicContact CE1-CZ 4Å; Y230-I236 WeakPolarHBondContact O-CD1 3.33Å; Y230-H270 HydrophobicContact CD1-CB 3.88Å; Y230-H270 AromaticContact CD1-CD2 3.72Å; Y230-H270 AromaticContact CD1-CG 3.75Å; Y230-H270 HydrophobicContact CD2-CB 4.32Å; Y230-H270 HydrophobicContact CE1-CB 4.47Å; Y230-H270 AromaticContact CE1-CD2 3.82Å; Y230-H270 HydrophobicContact CG-CB 3.81Å; Y230-T271 WeakPolarHBondContact CE2-O 3.39Å; Y230-I272 HydrophobicContact CD2-CD1 3.83Å; Y230-I272 HydrophobicContact CE2-CD1 3.81Å
231R97.4Very high98.4Very high139 Ų13920.9 Ų20.953%0.52510%0.101SC..THydrogen-bonded Turntrans-113.8-2.5172.2-68.9173.5172.5178.5-1.8112.8L227 T228 A229L227-R231 WeakPolarHBondContact O-CG 3.37Å; L227-R231 PolarHBondContact O-N 3.41Å; T228-R231 CarbonylContact O-C 3.53Å; T228-R231 WeakPolarHBondContact O-CA 3.26Å; T228-R231 PolarHBondContact O-N 3.45Å; A229-R231 PolarHBondContact O-N 2.7Å; A229-R231 VanDerWaalsContact O-N 3.1Å
232T98.1Very high98.4Very high7 Ų719 Ų194%0.0439%0.092CC..  trans-95.3117.1-179.8-66.60000109.6Y183 M189 T228 A229 A234 F235 I236Y183-T232 HydrophobicContact CE1-CG2 4.49Å; Y183-T232 PolarHBondContact OH-OG1 3Å; Y183-T232 VanDerWaalsContact OH-OG1 3.08Å; M189-T232 HydrophobicContact SD-CG2 3.79Å; T228-T232 PolarHBondContact O-N 3.31Å; T228-T232 PolarHBondContact O-OG1 2.9Å; T228-T232 VanDerWaalsContact O-OG1 3.04Å; A229-T232 PolarHBondContact O-N 2.83Å; T232-A234 VanDerWaalsContact C-N 3.31Å; T232-A234 HydrophobicContact CG2-CB 4.09Å; T232-A234 PolarHBondContact O-N 3.25Å; T232-F235 WeakPolarHBondContact O-CB 3.34Å; T232-F235 PolarHBondContact O-N 2.86Å; T232-I236 WeakPolarHBondContact O-CG1 3.49Å; T232-I236 PolarHBondContact O-N 3.36Å
233A98.1Very high98.3Very high29 Ų2920 Ų2024%0.2410%0.097CC..Hα-helixtrans-56.2-43.2-176.200000112.5Y50 F235 I236 E237Y50-A233 HydrophobicContact CE1-CB 3.6Å; A233-F235 VanDerWaalsContact C-N 3.26Å; A233-F235 PolarHBondContact O-N 2.92Å; A233-I236 PolarHBondContact O-N 2.89Å; A233-I236 VanDerWaalsContact O-N 3.11Å; A233-E237 WeakPolarHBondContact O-CB 3.48Å; A233-E237 WeakPolarHBondContact O-CG 3.33Å; A233-E237 PolarHBondContact O-N 3Å
234A98.5Very high98.2Very high1 Ų119.9 Ų19.91%0.00810%0.096CC..Hα-helixtrans-52.2-43.2175.300000112.8M47 Y50 M189 T232 S238M47-A234 HydrophobicContact CB-CB 4.24Å; M47-A234 HydrophobicContact CG-CB 4.32Å; M47-A234 WeakPolarHBondContact CG-O 3.43Å; Y50-A234 VanDerWaalsContact CD1-CA 3.5Å; Y50-A234 HydrophobicContact CD1-CB 3.73Å; Y50-A234 HydrophobicContact CG-CB 3.97Å; M189-A234 HydrophobicContact CE-CB 3.84Å; M189-A234 HydrophobicContact SD-CB 4.08Å; T232-A234 VanDerWaalsContact C-N 3.31Å; T232-A234 HydrophobicContact CG2-CB 4.09Å; T232-A234 PolarHBondContact O-N 3.25Å; A234-S238 VanDerWaalsContact O-CB 3.31Å; A234-S238 WeakPolarHBondContact O-CB 3.38Å; A234-S238 PolarHBondContact O-N 3.25Å; A234-S238 PolarHBondContact O-OG 3.48Å
235F98.8Very high98.2Very high0 Ų019.5 Ų19.50%09%0.094CC..Hα-helixtrans-70.4-48.4175.9178.4-87.7000111.3M47 M197 H201 A229 Y230 T232 A233 E237 S238 C239 H270M47-F235 HydrophobicContact CE-CB 3.92Å; M47-F235 HydrophobicContact CE-CD2 4.31Å; M47-F235 HydrophobicContact SD-CB 4.28Å; M47-F235 HydrophobicContact SD-CD2 4.08Å; M197-F235 HydrophobicContact CB-CD2 3.71Å; M197-F235 HydrophobicContact CB-CE2 3.94Å; H201-F235 HydrophobicContact CB-CE2 4.14Å; H201-F235 HydrophobicContact CB-CZ 3.71Å; H201-F235 AromaticContact CG-CZ 3.76Å; A229-F235 HydrophobicContact CB-CD1 4.21Å; A229-F235 HydrophobicContact CB-CD2 4.16Å; A229-F235 HydrophobicContact CB-CE1 4.49Å; A229-F235 HydrophobicContact CB-CE2 4.41Å; A229-F235 HydrophobicContact CB-CG 4.07Å; A229-F235 WeakPolarHBondContact O-CB 3.35Å; A229-F235 VanDerWaalsContact O-CD1 3.28Å; A229-F235 WeakPolarHBondContact O-CD1 3.32Å; Y230-F235 HydrophobicContact CD1-CD1 4.21Å; Y230-F235 AromaticContact CD1-CE1 3.6Å; Y230-F235 HydrophobicContact CD1-CE1 3.6Å; Y230-F235 HydrophobicContact CD1-CZ 4.33Å; Y230-F235 AromaticContact CE1-CE1 3.7Å; Y230-F235 HydrophobicContact CE1-CE1 3.7Å; Y230-F235 AromaticContact CE1-CZ 4Å; Y230-F235 HydrophobicContact CE1-CZ 4Å; T232-F235 WeakPolarHBondContact O-CB 3.34Å; T232-F235 PolarHBondContact O-N 2.86Å; A233-F235 VanDerWaalsContact C-N 3.26Å; A233-F235 PolarHBondContact O-N 2.92Å; F235-E237 PolarHBondContact O-N 3.21Å; F235-S238 PolarHBondContact O-N 3.06Å; F235-S238 PolarHBondContact O-OG 3.49Å; F235-C239 HydrophobicContact CD1-CB 4.37Å; F235-C239 HydrophobicContact CE1-CB 4Å; F235-C239 HydrophobicContact CZ-CB 4.26Å; F235-C239 WeakPolarHBondContact O-CB 3.14Å; F235-C239 PolarHBondContact O-N 3.01Å; F235-H270 AromaticContact CE1-NE2 3.81Å
236I98.6Very high98Very high53 Ų5320 Ų2027%0.27210%0.098SC..Hα-helixtrans-59.4-46.2-175.1-65.4165.6000111.9Y230 T232 A233 K268Y230-I236 WeakPolarHBondContact O-CD1 3.33Å; T232-I236 WeakPolarHBondContact O-CG1 3.49Å; T232-I236 PolarHBondContact O-N 3.36Å; A233-I236 PolarHBondContact O-N 2.89Å; A233-I236 VanDerWaalsContact O-N 3.11Å; I236-K268 PolarHBondContact O-NZ 2.87Å
237E98Very high97.9Very high90 Ų9021 Ų2142%0.42110%0.102SC..Hα-helixtrans-69.1-37.5-177.5-64.9-59.213300111.5W46 Y50 A233 F235W46-E237 WeakPolarHBondContact CH2-O 3.48Å; W46-E237 WeakPolarHBondContact CZ2-O 3.46Å; Y50-E237 HydrophobicContact CD2-CB 4.2Å; Y50-E237 HydrophobicContact CD2-CG 4.39Å; Y50-E237 HydrophobicContact CE2-CB 3.87Å; Y50-E237 HydrophobicContact CE2-CG 3.59Å; A233-E237 WeakPolarHBondContact O-CB 3.48Å; A233-E237 WeakPolarHBondContact O-CG 3.33Å; A233-E237 PolarHBondContact O-N 3Å; F235-E237 PolarHBondContact O-N 3.21Å
238S98.6Very high97.8Very high3 Ų321.3 Ų21.32%0.02110%0.103CC..Hα-helixtrans-87.9-12.3-178.666.80000114.8I36 Q43 W46 M47 A234 F235I36-S238 WeakPolarHBondContact CD1-O 3.3Å; Q43-S238 WeakPolarHBondContact CG-OG 3.4Å; W46-S238 VanDerWaalsContact CD2-CB 3.46Å; M47-S238 VanDerWaalsContact CG-OG 3.26Å; M47-S238 WeakPolarHBondContact CG-OG 3.49Å; A234-S238 VanDerWaalsContact O-CB 3.31Å; A234-S238 WeakPolarHBondContact O-CB 3.38Å; A234-S238 PolarHBondContact O-N 3.25Å; A234-S238 PolarHBondContact O-OG 3.48Å; F235-S238 PolarHBondContact O-N 3.06Å; F235-S238 PolarHBondContact O-OG 3.49Å
239C98.7Very high97.8Very high0 Ų020.9 Ų20.90%010%0.101CC..PPolyproline II helixtrans-71.5125.2-175.3-174.20000111.7I36 H201 F235 K268 H270I36-C239 WeakPolarHBondContact CD1-O 3.5Å; H201-C239 PolarHBondContact CD2-SG 3.46Å; F235-C239 HydrophobicContact CD1-CB 4.37Å; F235-C239 HydrophobicContact CE1-CB 4Å; F235-C239 HydrophobicContact CZ-CB 4.26Å; F235-C239 WeakPolarHBondContact O-CB 3.14Å; F235-C239 PolarHBondContact O-N 3.01Å; C239-K268 WeakPolarHBondContact O-CE 3.36Å; C239-K268 PolarHBondContact O-NZ 3.33Å; C239-H270 PolarHBondContact SG-NE2 3.44Å
240P98.5Very high97.6Very high2 Ų221.6 Ų21.61%0.01310%0.103CC..PPolyproline II helixtrans-68.3167.4173.931.5-38.1000112.2I36 A38 D244 I245I36-P240 HydrophobicContact CD1-CB 4.41Å; I36-P240 HydrophobicContact CG1-CB 4.35Å; A38-P240 HydrophobicContact CB-CB 4.24Å; A38-P240 HydrophobicContact CB-CG 3.87Å; P240-D244 HydrophobicContact CB-CB 4.28Å; P240-I245 HydrophobicContact CB-CG1 4.31Å; P240-I245 HydrophobicContact CG-CD1 3.94Å; P240-I245 HydrophobicContact CG-CG1 3.56Å
241A98.1Very high97.4Very high7 Ų724.3 Ų24.36%0.05812%0.116CC..PPolyproline II helixtrans-72.6154171.800000111.2Q243 D244 I245 P266 I267A241-Q243 PolarHBondContact O-N 3.1Å; A241-Q243 VanDerWaalsContact O-N 3.15Å; A241-D244 WeakPolarHBondContact CB-OD2 3.38Å; A241-D244 WeakPolarHBondContact O-CA 2.88Å; A241-D244 WeakPolarHBondContact O-CB 3.43Å; A241-D244 PolarHBondContact O-N 3.03Å; A241-I245 PolarHBondContact O-N 3.46Å; A241-I245 VanDerWaalsContact O-N 3.09Å; A241-P266 HydrophobicContact CB-CB 3.6Å; A241-I267 CarbonylContact C-O 3.59Å; A241-I267 VanDerWaalsContact CA-O 3.29Å; A241-I267 WeakPolarHBondContact CA-O 3.49Å; A241-I267 WeakPolarHBondContact CB-O 3.5Å
242D97.8Very high97.2Very high0 Ų022.2 Ų22.20%011%0.112CC..Hα-helixtrans-55.7-37.6-178.2-65.25.6000112.4I205 D244 I245 S246 I267 T269I205-D242 HydrophobicContact CG2-CB 3.85Å; D242-D244 VanDerWaalsContact C-N 3.33Å; D242-I245 PolarHBondContact O-N 2.8Å; D242-S246 WeakPolarHBondContact O-CB 3.49Å; D242-S246 PolarHBondContact O-N 3.25Å; D242-S246 PolarHBondContact O-OG 3.15Å; D242-I267 HydrophobicContact CB-CG1 3.98Å; D242-I267 PolarHBondContact N-O 3.45Å; D242-I267 WeakPolarHBondContact OD2-CG1 3.47Å; D242-T269 PolarHBondContact OD1-N 3.16Å; D242-T269 WeakPolarHBondContact OD2-CB 3.27Å; D242-T269 PolarHBondContact OD2-N 3.46Å; D242-T269 PolarHBondContact OD2-OG1 3.12Å
243Q96.5Very high97.1Very high19 Ų1923 Ų239%0.08912%0.116CC..Hα-helixtrans-66.1-36.4177.4-64.482.31.400111.9I31 A241 S246 Y247 Q264 T265I31-Q243 HydrophobicContact CD1-CB 4.12Å; A241-Q243 PolarHBondContact O-N 3.1Å; A241-Q243 VanDerWaalsContact O-N 3.15Å; Q243-S246 PolarHBondContact O-N 3.19Å; Q243-Y247 WeakPolarHBondContact O-CB 3.23Å; Q243-Y247 PolarHBondContact O-N 3.28Å; Q243-Q264 HydrophobicContact CG-CB 4.05Å; Q243-T265 PolarHBondContact NE2-O 3.05Å
244D97.3Very high96.9Very high3 Ų328.6 Ų28.62%0.01614%0.142CC..Hα-helixtrans-73-35.2179.4-62.7-43.5000111.2S29 R35 P240 A241 D242 H248S29-D244 WeakPolarHBondContact CB-OD1 3.45Å; S29-D244 PolarHBondContact OG-OD1 3.11Å; R35-D244 IonicContact CZ-OD1 3.75Å; R35-D244 IonicContact CZ-OD2 2.73Å; R35-D244 IonicContact NE-OD1 3.3Å; R35-D244 PolarHBondContact NE-OD1 3.37Å; R35-D244 IonicContact NE-OD2 2.93Å; R35-D244 PolarHBondContact NE-OD2 3.26Å; R35-D244 IonicContact NH2-OD1 3.67Å; R35-D244 PolarHBondContact NH2-OD1 3.24Å; R35-D244 IonicContact NH2-OD2 3.58Å; P240-D244 HydrophobicContact CB-CB 4.28Å; A241-D244 WeakPolarHBondContact CB-OD2 3.38Å; A241-D244 WeakPolarHBondContact O-CA 2.88Å; A241-D244 WeakPolarHBondContact O-CB 3.43Å; A241-D244 PolarHBondContact O-N 3.03Å; D242-D244 VanDerWaalsContact C-N 3.33Å; D244-H248 VanDerWaalsContact O-CB 3.27Å; D244-H248 WeakPolarHBondContact O-CB 3.27Å; D244-H248 PolarHBondContact O-N 2.78Å
245I98Very high96.5Very high0 Ų030.3 Ų30.30%015%0.151CC..Hα-helixtrans-64-50.8170.2-60.2173.8000110A38 H202 I205 A206 P240 A241 D242 Y247 H248 Y249A38-I245 HydrophobicContact CB-CB 4.31Å; A38-I245 HydrophobicContact CB-CG1 3.92Å; H202-I245 HydrophobicContact CB-CG2 4.43Å; I205-I245 HydrophobicContact CB-CD1 4.19Å; I205-I245 HydrophobicContact CB-CG2 4.14Å; I205-I245 HydrophobicContact CG1-CD1 4.05Å; I205-I245 HydrophobicContact CG2-CB 4.07Å; I205-I245 HydrophobicContact CG2-CD1 4.34Å; I205-I245 HydrophobicContact CG2-CG2 4.11Å; A206-I245 HydrophobicContact CB-CG2 4.26Å; P240-I245 HydrophobicContact CB-CG1 4.31Å; P240-I245 HydrophobicContact CG-CD1 3.94Å; P240-I245 HydrophobicContact CG-CG1 3.56Å; A241-I245 PolarHBondContact O-N 3.46Å; A241-I245 VanDerWaalsContact O-N 3.09Å; D242-I245 PolarHBondContact O-N 2.8Å; I245-Y247 VanDerWaalsContact C-N 3.33Å; I245-Y247 PolarHBondContact O-N 2.99Å; I245-H248 WeakPolarHBondContact O-CB 3.45Å; I245-H248 PolarHBondContact O-N 2.87Å; I245-Y249 HydrophobicContact CG2-CD2 4.03Å; I245-Y249 HydrophobicContact CG2-CE2 3.84Å; I245-Y249 VanDerWaalsContact O-CD2 3.28Å; I245-Y249 WeakPolarHBondContact O-CD2 3.47Å; I245-Y249 PolarHBondContact O-N 2.98Å
246S95.6Very high96.1Very high13 Ų1335.4 Ų35.49%0.09118%0.184CC..Hα-helixtrans-59.9-45.5-179.1-60.40000111.2D242 Q243 H248 Y249 K250D242-S246 WeakPolarHBondContact O-CB 3.49Å; D242-S246 PolarHBondContact O-N 3.25Å; D242-S246 PolarHBondContact O-OG 3.15Å; Q243-S246 PolarHBondContact O-N 3.19Å; S246-H248 PolarHBondContact O-N 3.38Å; S246-Y249 PolarHBondContact O-N 2.99Å; S246-K250 WeakPolarHBondContact O-CG 3.39Å; S246-K250 PolarHBondContact O-N 3.13Å
247Y95.6Very high95.4Very high25 Ų2535.5 Ų35.510%0.09818%0.183CC..Hα-helixtrans-59.5-45.2176-178.5-86.9000112.1G30 I31 Q243 I245 Y249 K250 E251 H257 Y262G30-Y247 VanDerWaalsContact CA-CE1 3.46Å; I31-Y247 HydrophobicContact CD1-CD2 3.98Å; I31-Y247 HydrophobicContact CD1-CG 3.97Å; I31-Y247 HydrophobicContact CG1-CD1 4.39Å; I31-Y247 HydrophobicContact CG1-CD2 3.49Å; I31-Y247 VanDerWaalsContact CG1-CD2 3.49Å; I31-Y247 HydrophobicContact CG1-CE2 4.07Å; I31-Y247 HydrophobicContact CG1-CG 3.71Å; Q243-Y247 WeakPolarHBondContact O-CB 3.23Å; Q243-Y247 PolarHBondContact O-N 3.28Å; I245-Y247 VanDerWaalsContact C-N 3.33Å; I245-Y247 PolarHBondContact O-N 2.99Å; Y247-Y249 VanDerWaalsContact C-N 3.34Å; Y247-Y249 PolarHBondContact O-N 3.19Å; Y247-K250 PolarHBondContact O-N 3Å; Y247-E251 HydrophobicContact CD1-CG 4.09Å; Y247-E251 HydrophobicContact CE1-CG 3.51Å; Y247-E251 WeakPolarHBondContact CE1-OE1 3.24Å; Y247-E251 WeakPolarHBondContact CE1-OE2 3.47Å; Y247-E251 PolarHBondContact O-N 2.94Å; Y247-E251 PolarHBondContact OH-OE1 3.4Å; Y247-H257 AromaticContact CD2-CE1 3.3Å; Y247-H257 WeakPolarHBondContact CD2-CE1 3.32Å; Y247-H257 AromaticContact CD2-ND1 3.35Å; Y247-H257 WeakPolarHBondContact CD2-ND1 3.45Å; Y247-H257 AromaticContact CE2-CD2 3.98Å; Y247-H257 AromaticContact CE2-CE1 3.27Å; Y247-H257 WeakPolarHBondContact CE2-CE1 3.06Å; Y247-H257 AromaticContact CE2-CG 3.87Å; Y247-H257 AromaticContact CE2-ND1 3.44Å; Y247-H257 WeakPolarHBondContact CE2-ND1 3.36Å; Y247-H257 AromaticContact CE2-NE2 3.64Å; Y247-H257 AromaticContact CG-CE1 3.96Å; Y247-H257 AromaticContact CZ-CE1 3.91Å; Y247-H257 AromaticContact CZ-NE2 3.99Å; Y247-Y262 HydrophobicContact CE2-CE1 4.06Å
248H96.7Very high94.6Very high24 Ų2440.2 Ų40.211%0.11120%0.197CC..Hα-helixtrans-55.5-45.1178.5173.590.3000113A38 D244 I245 S246 Q252A38-H248 HydrophobicContact CB-CB 3.82Å; A38-H248 PolarHBondContact O-CE1 3.46Å; A38-H248 VanDerWaalsContact O-CE1 3.28Å; A38-H248 PolarHBondContact O-ND1 3.45Å; A38-H248 PolarHBondContact O-NE2 3.08Å; D244-H248 VanDerWaalsContact O-CB 3.27Å; D244-H248 WeakPolarHBondContact O-CB 3.27Å; D244-H248 PolarHBondContact O-N 2.78Å; I245-H248 WeakPolarHBondContact O-CB 3.45Å; I245-H248 PolarHBondContact O-N 2.87Å; S246-H248 PolarHBondContact O-N 3.38Å; H248-Q252 PolarHBondContact CE1-NE2 3.09Å; H248-Q252 VanDerWaalsContact CE1-NE2 3.31Å; H248-Q252 PolarHBondContact NE2-NE2 2.8Å; H248-Q252 WeakPolarHBondContact O-CG 3.46Å; H248-Q252 PolarHBondContact O-N 2.94Å
249Y97.1Very high93.8Very high1 Ų147.9 Ų47.90%0.00423%0.233CC..Hα-helixtrans-73.7-34.7177.8-75.2-75.7000113Y129 F132 L136 H202 A206 I245 S246 Y247 E251 Q252 L253Y129-Y249 WeakPolarHBondContact CE2-OH 3.42Å; Y129-Y249 PolarHBondContact OH-OH 3.04Å; F132-Y249 AromaticContact CE1-CE1 3.77Å; F132-Y249 HydrophobicContact CE1-CE1 3.77Å; F132-Y249 HydrophobicContact CE1-CE2 4.47Å; F132-Y249 AromaticContact CE1-CZ 3.76Å; L136-Y249 HydrophobicContact CD2-CD1 3.48Å; L136-Y249 VanDerWaalsContact CD2-CD1 3.48Å; L136-Y249 HydrophobicContact CD2-CE1 4.18Å; L136-Y249 HydrophobicContact CD2-CG 4.02Å; H202-Y249 HydrophobicContact CB-CE2 4Å; H202-Y249 WeakPolarHBondContact CB-OH 3.39Å; H202-Y249 AromaticContact CG-CE2 4Å; H202-Y249 AromaticContact ND1-CE2 3.4Å; H202-Y249 WeakPolarHBondContact ND1-CE2 3.1Å; H202-Y249 AromaticContact ND1-CZ 3.58Å; H202-Y249 PolarHBondContact ND1-OH 2.7Å; A206-Y249 HydrophobicContact CB-CD2 3.29Å; A206-Y249 HydrophobicContact CB-CE2 3.64Å; A206-Y249 HydrophobicContact CB-CG 3.92Å; I245-Y249 HydrophobicContact CG2-CD2 4.03Å; I245-Y249 HydrophobicContact CG2-CE2 3.84Å; I245-Y249 VanDerWaalsContact O-CD2 3.28Å; I245-Y249 WeakPolarHBondContact O-CD2 3.47Å; I245-Y249 PolarHBondContact O-N 2.98Å; S246-Y249 PolarHBondContact O-N 2.99Å; Y247-Y249 VanDerWaalsContact C-N 3.34Å; Y247-Y249 PolarHBondContact O-N 3.19Å; Y249-E251 VanDerWaalsContact C-N 3.32Å; Y249-E251 PolarHBondContact O-N 3.26Å; Y249-Q252 PolarHBondContact O-N 3.02Å; Y249-L253 WeakPolarHBondContact O-CB 3.39Å; Y249-L253 VanDerWaalsContact O-CG 3.3Å; Y249-L253 WeakPolarHBondContact O-CG 3.04Å; Y249-L253 PolarHBondContact O-N 3.35Å
250K95.1Very high93.1Very high18 Ų1855.6 Ų55.68%0.07827%0.266CS..Hα-helixtrans-60.8-42.2173.5-72.3-179.472.61750111.6L210 S246 Y247 L253 N254 L255 P256 H257 E261L210-K250 HydrophobicContact CD1-CG 4.48Å; L210-K250 HydrophobicContact CD2-CD 4.1Å; L210-K250 HydrophobicContact CD2-CG 3.7Å; S246-K250 WeakPolarHBondContact O-CG 3.39Å; S246-K250 PolarHBondContact O-N 3.13Å; Y247-K250 PolarHBondContact O-N 3Å; K250-L253 CarbonylContact O-C 3.58Å; K250-L253 PolarHBondContact O-N 3.19Å; K250-N254 PolarHBondContact O-N 2.71Å; K250-L255 HydrophobicContact CB-CB 4.09Å; K250-L255 HydrophobicContact CG-CB 4.13Å; K250-L255 HydrophobicContact CG-CD1 4.24Å; K250-L255 PolarHBondContact O-N 3.36Å; K250-P256 WeakPolarHBondContact CE-O 3.39Å; K250-P256 PolarHBondContact NZ-O 3.3Å; K250-H257 VanDerWaalsContact CB-CE1 3.5Å; K250-H257 WeakPolarHBondContact CB-CE1 3.38Å; K250-E261 IonicContact NZ-OE1 3.9Å; K250-E261 PolarHBondContact NZ-OE1 3.47Å; K250-E261 IonicContact NZ-OE2 2.72Å; K250-E261 PolarHBondContact NZ-OE2 2.89Å
251E94.1Very high92.2Very high76 Ų7657.8 Ų57.836%0.35528%0.276SS..Hα-helixtrans-60.5-47.6173.4-75.2-166.4136.300111.7Y247 Y249 L253 N254Y247-E251 HydrophobicContact CD1-CG 4.09Å; Y247-E251 HydrophobicContact CE1-CG 3.51Å; Y247-E251 WeakPolarHBondContact CE1-OE1 3.24Å; Y247-E251 WeakPolarHBondContact CE1-OE2 3.47Å; Y247-E251 PolarHBondContact O-N 2.94Å; Y247-E251 PolarHBondContact OH-OE1 3.4Å; Y249-E251 VanDerWaalsContact C-N 3.32Å; Y249-E251 PolarHBondContact O-N 3.26Å; E251-L253 PolarHBondContact O-N 3.13Å; E251-N254 PolarHBondContact O-N 2.89Å; E251-N254 VanDerWaalsContact O-N 3.14Å
252Q94.5Very high91.6Very high95 Ų9562.2 Ų62.244%0.44429%0.292SS..Hα-helixtrans-61.9-30.6179.5-73.3-1754.900113.7H248 Y249H248-Q252 PolarHBondContact CE1-NE2 3.09Å; H248-Q252 VanDerWaalsContact CE1-NE2 3.31Å; H248-Q252 PolarHBondContact NE2-NE2 2.8Å; H248-Q252 WeakPolarHBondContact O-CG 3.46Å; H248-Q252 PolarHBondContact O-N 2.94Å; Y249-Q252 PolarHBondContact O-N 3.02Å
253L94.4Very high91.1Very high23 Ų2368.9 Ų68.912%0.1233%0.327CS..Hα-helixtrans-94.2-1.7-180-65168.3000113.1L136 R137 T140 L210 Y249 K250 E251 L255L136-L253 HydrophobicContact CD2-CD1 3.71Å; L136-L253 HydrophobicContact CG-CD1 3.75Å; R137-L253 HydrophobicContact CB-CD2 4.43Å; T140-L253 HydrophobicContact CG2-CD1 4.15Å; L210-L253 HydrophobicContact CD1-CD1 4.38Å; Y249-L253 WeakPolarHBondContact O-CB 3.39Å; Y249-L253 VanDerWaalsContact O-CG 3.3Å; Y249-L253 WeakPolarHBondContact O-CG 3.04Å; Y249-L253 PolarHBondContact O-N 3.35Å; K250-L253 CarbonylContact O-C 3.58Å; K250-L253 PolarHBondContact O-N 3.19Å; E251-L253 PolarHBondContact O-N 3.13Å; L253-L255 VanDerWaalsContact C-N 3.26Å; L253-L255 HydrophobicContact CB-CD1 4.04Å; L253-L255 HydrophobicContact CB-CG 3.79Å; L253-L255 HydrophobicContact CD1-CD1 3.97Å; L253-L255 PolarHBondContact O-N 2.98Å
254N93.6Very high90.8Very high147 Ų14772 Ų7279%0.78634%0.342SS*.THydrogen-bonded Turntrans54.839.1-172.9-53.4-70.5000113.2K250 E251K250-N254 PolarHBondContact O-N 2.71Å; E251-N254 PolarHBondContact O-N 2.89Å; E251-N254 VanDerWaalsContact O-N 3.14Å
255L91.5Very high90.6Very high38 Ų3877.1 Ų77.120%0.19937%0.373CS..PPolyproline II helixtrans-84143.5176.2-63.5176.1000110.8T140 L210 K250 L253T140-L255 HydrophobicContact CG2-CD1 4.05Å; L210-L255 HydrophobicContact CD2-CD1 4.48Å; K250-L255 HydrophobicContact CB-CB 4.09Å; K250-L255 HydrophobicContact CG-CB 4.13Å; K250-L255 HydrophobicContact CG-CD1 4.24Å; K250-L255 PolarHBondContact O-N 3.36Å; L253-L255 VanDerWaalsContact C-N 3.26Å; L253-L255 HydrophobicContact CB-CD1 4.04Å; L253-L255 HydrophobicContact CB-CG 3.79Å; L253-L255 HydrophobicContact CD1-CD1 3.97Å; L253-L255 PolarHBondContact O-N 2.98Å
256P89Confident90.5Very high107 Ų10780.1 Ų80.170%0.69539%0.393SS*.PPolyproline II helixtrans-67.1138.6-178.627.6-34.9000111.9K250K250-P256 WeakPolarHBondContact CE-O 3.39Å; K250-P256 PolarHBondContact NZ-O 3.3Å
257H84.9Confident90.6Very high54 Ų5483.5 Ų83.525%0.2541%0.409CS..PPolyproline II helixtrans-89.2137.6172.6-58.9-78.1000110.9Y247 K250 E261 Y262Y247-H257 AromaticContact CD2-CE1 3.3Å; Y247-H257 WeakPolarHBondContact CD2-CE1 3.32Å; Y247-H257 AromaticContact CD2-ND1 3.35Å; Y247-H257 WeakPolarHBondContact CD2-ND1 3.45Å; Y247-H257 AromaticContact CE2-CD2 3.98Å; Y247-H257 AromaticContact CE2-CE1 3.27Å; Y247-H257 WeakPolarHBondContact CE2-CE1 3.06Å; Y247-H257 AromaticContact CE2-CG 3.87Å; Y247-H257 AromaticContact CE2-ND1 3.44Å; Y247-H257 WeakPolarHBondContact CE2-ND1 3.36Å; Y247-H257 AromaticContact CE2-NE2 3.64Å; Y247-H257 AromaticContact CG-CE1 3.96Å; Y247-H257 AromaticContact CZ-CE1 3.91Å; Y247-H257 AromaticContact CZ-NE2 3.99Å; K250-H257 VanDerWaalsContact CB-CE1 3.5Å; K250-H257 WeakPolarHBondContact CB-CE1 3.38Å; H257-E261 WeakPolarHBondContact CA-OE2 3.43Å; H257-E261 IonicContact ND1-OE2 2.89Å; H257-Y262 HydrophobicContact CB-CE2 3.77Å; H257-Y262 WeakPolarHBondContact CB-OH 3.42Å
258R81.4Confident90.7Very high190 Ų19086.8 Ų86.872%0.71742%0.424SS*.PPolyproline II helixtrans-95.6139.5175.4-65.5-177.5-179.6178.81.8109K260 E261R258-K260 PolarHBondContact O-N 3.4Å; R258-E261 HydrophobicContact CB-CG 4.19Å; R258-E261 PolarHBondContact N-OE2 3.37Å; R258-E261 VanDerWaalsContact O-CB 3.26Å; R258-E261 WeakPolarHBondContact O-CB 3.45Å; R258-E261 PolarHBondContact O-N 3.49Å
259Q82.2Confident90.7Very high163 Ų16387.2 Ų87.276%0.76243%0.428SS*.Hα-helixtrans-52.6-35.7-178.8-169176.616.400113.2E261 Y262Q259-E261 PolarHBondContact O-N 3.14Å; Q259-Y262 PolarHBondContact O-N 2.88Å
260K83.9Confident90.8Very high162 Ų16289.4 Ų89.470%0.70444%0.438SS*.Hα-helixtrans-57.2-32.2176.6-171.8178.1179.5-177.70113.1R258 Y262 L263 Q264R258-K260 PolarHBondContact O-N 3.4Å; K260-Y262 VanDerWaalsContact C-N 3.31Å; K260-Y262 PolarHBondContact O-N 3.47Å; K260-L263 PolarHBondContact O-N 2.92Å; K260-Q264 WeakPolarHBondContact O-CG 3.4Å; K260-Q264 PolarHBondContact O-N 3.25Å
261E78.5Confident90.9Very high48 Ų4892.7 Ų92.722%0.22446%0.46CS..Hα-helixtrans-66.1-34.4-179-62167.9175.900111.5K250 H257 R258 Q259 L263 Q264K250-E261 IonicContact NZ-OE1 3.9Å; K250-E261 PolarHBondContact NZ-OE1 3.47Å; K250-E261 IonicContact NZ-OE2 2.72Å; K250-E261 PolarHBondContact NZ-OE2 2.89Å; H257-E261 WeakPolarHBondContact CA-OE2 3.43Å; H257-E261 IonicContact ND1-OE2 2.89Å; R258-E261 HydrophobicContact CB-CG 4.19Å; R258-E261 PolarHBondContact N-OE2 3.37Å; R258-E261 VanDerWaalsContact O-CB 3.26Å; R258-E261 WeakPolarHBondContact O-CB 3.45Å; R258-E261 PolarHBondContact O-N 3.49Å; Q259-E261 PolarHBondContact O-N 3.14Å; E261-L263 PolarHBondContact O-N 2.89Å; E261-Q264 PolarHBondContact O-N 3.35Å
262Y85Confident91.1Very high101 Ų10189.9 Ų89.940%0.39645%0.447SS..Hα-helixtrans-71.4-19.4176.5-63.1-88.4000113.5I31 Y247 H257 Q259 K260I31-Y262 HydrophobicContact CB-CD1 4.42Å; I31-Y262 HydrophobicContact CG1-CD1 4.34Å; I31-Y262 HydrophobicContact CG1-CE1 4.5Å; I31-Y262 HydrophobicContact CG2-CD1 4.05Å; Y247-Y262 HydrophobicContact CE2-CE1 4.06Å; H257-Y262 HydrophobicContact CB-CE2 3.77Å; H257-Y262 WeakPolarHBondContact CB-OH 3.42Å; Q259-Y262 PolarHBondContact O-N 2.88Å; K260-Y262 VanDerWaalsContact C-N 3.31Å; K260-Y262 PolarHBondContact O-N 3.47Å
263L88.6Confident91.2Very high139 Ų13986.6 Ų86.673%0.72843%0.434SS*.THydrogen-bonded Turntrans-98.7-2.8-178.3-60.1177.1000112.9K260 E261K260-L263 PolarHBondContact O-N 2.92Å; E261-L263 PolarHBondContact O-N 2.89Å
264Q90Very high91.4Very high85 Ų8591.5 Ų91.540%0.39746%0.46SS..SBendtrans-71.7132.9179.4-76.7175.3-16.800111.2Q243 K260 E261Q243-Q264 HydrophobicContact CG-CB 4.05Å; K260-Q264 WeakPolarHBondContact O-CG 3.4Å; K260-Q264 PolarHBondContact O-N 3.25Å; E261-Q264 PolarHBondContact O-N 3.35Å
265T93.4Very high91.5Very high111 Ų11190 Ų9068%0.68145%0.449SS*.PPolyproline II helixtrans-60.7129.2168.5-54.90000109.3Q243 I267Q243-T265 PolarHBondContact NE2-O 3.05Å; T265-I267 PolarHBondContact O-N 3.42Å
266P95.2Very high91.8Very high62 Ų6288.2 Ų88.240%0.40344%0.439SS..PPolyproline II helixtrans-61.9132.1178.724.7-32.6000110.8A241A241-P266 HydrophobicContact CB-CB 3.6Å
267I97.1Very high92.2Very high85 Ų8585.2 Ų85.244%0.43642%0.417SS..  trans-124157174.470.3-177.8000109.9A241 D242 T265A241-I267 CarbonylContact C-O 3.59Å; A241-I267 VanDerWaalsContact CA-O 3.29Å; A241-I267 WeakPolarHBondContact CA-O 3.49Å; A241-I267 WeakPolarHBondContact CB-O 3.5Å; D242-I267 HydrophobicContact CB-CG1 3.98Å; D242-I267 PolarHBondContact N-O 3.45Å; D242-I267 WeakPolarHBondContact OD2-CG1 3.47Å; T265-I267 PolarHBondContact O-N 3.42Å
268K98.1Very high92.8Very high94 Ų9489 Ų8941%0.40944%0.435SS..  trans-124106.5172.8-69.1-173.1175.2-168.90109.2I236 C239 H270I236-K268 PolarHBondContact O-NZ 2.87Å; C239-K268 WeakPolarHBondContact O-CE 3.36Å; C239-K268 PolarHBondContact O-NZ 3.33Å; K268-H270 PolarHBondContact O-N 2.92Å
269T97.7Very high93.5Very high33 Ų3382.9 Ų82.920%0.20242%0.417CS..  trans-81.282.7-178.5-64.50000111.3H201 R204 I205 D242H201-T269 PolarHBondContact CE1-O 2.9Å; R204-T269 PolarHBondContact NH1-O 3.12Å; R204-T269 VanDerWaalsContact NH1-O 3.08Å; I205-T269 HydrophobicContact CD1-CG2 4.48Å; D242-T269 PolarHBondContact OD1-N 3.16Å; D242-T269 WeakPolarHBondContact OD2-CB 3.27Å; D242-T269 PolarHBondContact OD2-N 3.46Å; D242-T269 PolarHBondContact OD2-OG1 3.12Å
270H98.2Very high94.3Very high47 Ų4775.1 Ų75.122%0.21838%0.38CS..  trans-98.334.5176.8-65.5-179.5000112.7Y230 F235 C239 K268Y230-H270 HydrophobicContact CD1-CB 3.88Å; Y230-H270 AromaticContact CD1-CD2 3.72Å; Y230-H270 AromaticContact CD1-CG 3.75Å; Y230-H270 HydrophobicContact CD2-CB 4.32Å; Y230-H270 HydrophobicContact CE1-CB 4.47Å; Y230-H270 AromaticContact CE1-CD2 3.82Å; Y230-H270 HydrophobicContact CG-CB 3.81Å; F235-H270 AromaticContact CE1-NE2 3.81Å; C239-H270 PolarHBondContact SG-NE2 3.44Å; K268-H270 PolarHBondContact O-N 2.92Å
271T97.7Very high94.9Very high87 Ų8773.2 Ų73.253%0.53437%0.372SS..  trans-96.4163.5178.758.30000111.5R204 Y230R204-T271 PolarHBondContact NH1-O 2.74Å; R204-T271 PolarHBondContact NH2-O 3.04Å; R204-T271 PolarHBondContact NH2-OG1 3.02Å; R204-T271 VanDerWaalsContact NH2-OG1 3.08Å; Y230-T271 WeakPolarHBondContact CE2-O 3.39Å
272I98Very high95.8Very high16 Ų1678.5 Ų78.58%0.08240%0.396CS..  trans-117140.5170.2-57.6-64.4000107.5W223 M226 L227 Y230 A276 L277 I280W223-I272 HydrophobicContact CE3-CD1 3.81Å; W223-I272 HydrophobicContact CE3-CG2 4.16Å; W223-I272 HydrophobicContact CZ3-CD1 4.23Å; M226-I272 HydrophobicContact CB-CD1 4.29Å; L227-I272 HydrophobicContact CB-CD1 3.93Å; L227-I272 HydrophobicContact CB-CG1 3.98Å; L227-I272 HydrophobicContact CD1-CG1 3.93Å; L227-I272 HydrophobicContact CG-CG1 4.44Å; Y230-I272 HydrophobicContact CD2-CD1 3.83Å; Y230-I272 HydrophobicContact CE2-CD1 3.81Å; I272-A276 HydrophobicContact CG2-CB 3.99Å; I272-L277 HydrophobicContact CB-CB 4.4Å; I272-L277 HydrophobicContact CG2-CB 4.05Å; I272-I280 HydrophobicContact CG2-CD1 4.2Å
273P97.6Very high96.3Very high26 Ų2678.3 Ų78.317%0.16940%0.402CS..  trans-55.4138.3172.8-24.533.9000111.5H217 W223 E275 A276 L277H217-P273 WeakPolarHBondContact NE2-CB 3.42Å; H217-P273 WeakPolarHBondContact NE2-CG 3.47Å; W223-P273 HydrophobicContact CE3-CG 4.49Å; W223-P273 VanDerWaalsContact CH2-CD 3.48Å; W223-P273 HydrophobicContact CH2-CG 3.62Å; W223-P273 HydrophobicContact CZ2-CG 3.64Å; W223-P273 HydrophobicContact CZ3-CG 4.07Å; P273-E275 VanDerWaalsContact C-N 3.32Å; P273-E275 PolarHBondContact O-N 3.19Å; P273-A276 HydrophobicContact CB-CB 4.32Å; P273-A276 PolarHBondContact O-N 3.39Å; P273-L277 PolarHBondContact O-N 2.74Å
274D97.4Very high96.6Very high126 Ų12672.9 Ų72.967%0.67438%0.379SS*.Hα-helixtrans-56.2-44.7-172.1-67.1-30.8000112.4A276 L277 E278D274-A276 VanDerWaalsContact C-N 3.35Å; D274-A276 PolarHBondContact O-N 3.06Å; D274-L277 PolarHBondContact O-N 2.91Å; D274-L277 VanDerWaalsContact O-N 3.14Å; D274-E278 WeakPolarHBondContact O-CG 3.44Å; D274-E278 PolarHBondContact O-N 3.25Å
275E96.4Very high96.9Very high117 Ų11769.3 Ų69.355%0.54736%0.363SS..Hα-helixtrans-60.5-41.3177.5-171.5-178.9-163.700112.4H217 P273 N279H217-E275 IonicContact ND1-OE2 3.39Å; H217-E275 PolarHBondContact ND1-OE2 3.5Å; P273-E275 VanDerWaalsContact C-N 3.32Å; P273-E275 PolarHBondContact O-N 3.19Å; E275-N279 PolarHBondContact O-N 3.45Å; E275-N279 VanDerWaalsContact O-N 3.15Å; E275-N279 PolarHBondContact O-ND2 3.39Å
276A97.3Very high96.8Very high0 Ų066.6 Ų66.60%034%0.344CS..Hα-helixtrans-68.2-40175.700000111.1W223 I272 P273 D274 N279 I280W223-A276 HydrophobicContact CB-CB 3.99Å; W223-A276 HydrophobicContact CD2-CB 4.28Å; W223-A276 HydrophobicContact CG-CB 3.77Å; I272-A276 HydrophobicContact CG2-CB 3.99Å; P273-A276 HydrophobicContact CB-CB 4.32Å; P273-A276 PolarHBondContact O-N 3.39Å; D274-A276 VanDerWaalsContact C-N 3.35Å; D274-A276 PolarHBondContact O-N 3.06Å; A276-N279 PolarHBondContact O-N 3.13Å; A276-I280 WeakPolarHBondContact O-CG1 3.28Å; A276-I280 PolarHBondContact O-N 3.21Å
277L97.3Very high96.5Very high44 Ų4472.1 Ų72.123%0.2336%0.361CS..Hα-helixtrans-66-38.4178.4-176.461.7000112.5L227 I272 P273 D274 I280 K281L227-L277 HydrophobicContact CD2-CD1 4.24Å; I272-L277 HydrophobicContact CB-CB 4.4Å; I272-L277 HydrophobicContact CG2-CB 4.05Å; P273-L277 PolarHBondContact O-N 2.74Å; D274-L277 PolarHBondContact O-N 2.91Å; D274-L277 VanDerWaalsContact O-N 3.14Å; L277-I280 PolarHBondContact O-N 3.39Å; L277-K281 WeakPolarHBondContact O-CG 3.28Å; L277-K281 PolarHBondContact O-N 3.31Å; L277-K281 VanDerWaalsContact O-N 3.11Å
278E97.3Very high96Very high134 Ų13471.9 Ų71.963%0.62636%0.361SS*.Hα-helixtrans-62.4-46.2173.1-74.6179.517600111.3D274 I280 K281 H282D274-E278 WeakPolarHBondContact O-CG 3.44Å; D274-E278 PolarHBondContact O-N 3.25Å; E278-I280 PolarHBondContact O-N 3.12Å; E278-K281 PolarHBondContact O-N 3.47Å; E278-H282 WeakPolarHBondContact O-CB 3.34Å; E278-H282 PolarHBondContact O-N 2.87Å
279N97.3Very high95.9Very high61 Ų6170.8 Ų70.833%0.32636%0.358SS..Hα-helixtrans-63.4-40.7176.9-73-38.3000112.6V220 E275 A276 K281 H282 L283V220-N279 HydrophobicContact CB-CB 4.49Å; V220-N279 HydrophobicContact CG1-CB 3.78Å; V220-N279 HydrophobicContact CG2-CB 3.78Å; E275-N279 PolarHBondContact O-N 3.45Å; E275-N279 VanDerWaalsContact O-N 3.15Å; E275-N279 PolarHBondContact O-ND2 3.39Å; A276-N279 PolarHBondContact O-N 3.13Å; N279-K281 VanDerWaalsContact C-N 3.35Å; N279-K281 PolarHBondContact O-N 3Å; N279-H282 PolarHBondContact O-N 3.43Å; N279-L283 WeakPolarHBondContact O-CB 3.45Å; N279-L283 WeakPolarHBondContact O-CG 3.29Å; N279-L283 PolarHBondContact O-N 2.81Å
280I97.8Very high95.8Very high0 Ų072.7 Ų72.70%037%0.366CS..Hα-helixtrans-56.2-49.6174.2-73.8165.8000110.5V220 W223 N224 L227 I272 A276 L277 E278 L283 G284 L285 D286V220-I280 HydrophobicContact CG1-CG1 3.81Å; W223-I280 HydrophobicContact CB-CD1 4.11Å; N224-I280 HydrophobicContact CB-CD1 4.16Å; N224-I280 HydrophobicContact CB-CG1 4.04Å; N224-I280 WeakPolarHBondContact OD1-CG2 3.5Å; L227-I280 HydrophobicContact CD2-CD1 4.44Å; L227-I280 HydrophobicContact CD2-CG2 4.31Å; I272-I280 HydrophobicContact CG2-CD1 4.2Å; A276-I280 WeakPolarHBondContact O-CG1 3.28Å; A276-I280 PolarHBondContact O-N 3.21Å; L277-I280 PolarHBondContact O-N 3.39Å; E278-I280 PolarHBondContact O-N 3.12Å; I280-L283 PolarHBondContact O-N 3.26Å; I280-G284 PolarHBondContact O-N 2.64Å; I280-G284 VanDerWaalsContact O-N 3.1Å; I280-L285 HydrophobicContact CG2-CB 4.21Å; I280-L285 PolarHBondContact O-N 3.12Å; I280-D286 HydrophobicContact CG2-CB 3.84Å
281K97.3Very high95.7Very high122 Ų12274.2 Ų74.253%0.5338%0.375SS..Hα-helixtrans-66.1-40.7179.6-71.2171.1-178.31720112.1L277 E278 N279 L283 G284L277-K281 WeakPolarHBondContact O-CG 3.28Å; L277-K281 PolarHBondContact O-N 3.31Å; L277-K281 VanDerWaalsContact O-N 3.11Å; E278-K281 PolarHBondContact O-N 3.47Å; N279-K281 VanDerWaalsContact C-N 3.35Å; N279-K281 PolarHBondContact O-N 3Å; K281-L283 VanDerWaalsContact C-N 3.31Å; K281-L283 PolarHBondContact O-N 2.87Å; K281-G284 PolarHBondContact O-N 2.79Å; K281-G284 VanDerWaalsContact O-N 3.12Å
282H96.7Very high95.6Very high159 Ų15973.4 Ų73.474%0.73637%0.365SS*.Hα-helixtrans-61.9-40.4179-17670.6000111.9E278 N279 G284E278-H282 WeakPolarHBondContact O-CB 3.34Å; E278-H282 PolarHBondContact O-N 2.87Å; N279-H282 PolarHBondContact O-N 3.43Å; H282-G284 VanDerWaalsContact C-N 3.3Å
283L95.8Very high95.4Very high97 Ų9777 Ų7751%0.50838%0.383SS..THydrogen-bonded Turntrans-80.9-6.9176.2-64.1177.9000113.6V220 N279 I280 K281 L285V220-L283 HydrophobicContact CB-CD1 4.38Å; V220-L283 HydrophobicContact CG1-CD1 3.94Å; N279-L283 WeakPolarHBondContact O-CB 3.45Å; N279-L283 WeakPolarHBondContact O-CG 3.29Å; N279-L283 PolarHBondContact O-N 2.81Å; I280-L283 PolarHBondContact O-N 3.26Å; K281-L283 VanDerWaalsContact C-N 3.31Å; K281-L283 PolarHBondContact O-N 2.87Å; L283-L285 VanDerWaalsContact C-N 3.26Å; L283-L285 HydrophobicContact CB-CD1 4.04Å; L283-L285 HydrophobicContact CB-CG 3.8Å; L283-L285 HydrophobicContact CD1-CD1 3.98Å; L283-L285 PolarHBondContact O-N 3.42Å
284G95.8Very high95.3Very high24 Ų2480.4 Ų80.425%0.24740%0.397CS..THydrogen-bonded Turntrans68.820-178.300000114.5I280 K281 H282 D286 K287I280-G284 PolarHBondContact O-N 2.64Å; I280-G284 VanDerWaalsContact O-N 3.1Å; K281-G284 PolarHBondContact O-N 2.79Å; K281-G284 VanDerWaalsContact O-N 3.12Å; H282-G284 VanDerWaalsContact C-N 3.3Å; G284-D286 VanDerWaalsContact C-N 3.27Å; G284-D286 PolarHBondContact O-N 3.33Å; G284-K287 PolarHBondContact O-N 3.26Å
285L95.5Very high95.1Very high11 Ų1177.1 Ų77.16%0.05838%0.378CS..G310 helixtrans-72.9-20.1-177.2-64.3174.9000112.9V220 N224 I280 L283 K287 L288V220-L285 HydrophobicContact CG1-CD1 4.02Å; N224-L285 HydrophobicContact CB-CB 4.2Å; N224-L285 HydrophobicContact CB-CD1 4.4Å; N224-L285 PolarHBondContact ND2-O 3.42Å; N224-L285 PolarHBondContact OD1-O 2.95Å; I280-L285 HydrophobicContact CG2-CB 4.21Å; I280-L285 PolarHBondContact O-N 3.12Å; L283-L285 VanDerWaalsContact C-N 3.26Å; L283-L285 HydrophobicContact CB-CD1 4.04Å; L283-L285 HydrophobicContact CB-CG 3.8Å; L283-L285 HydrophobicContact CD1-CD1 3.98Å; L283-L285 PolarHBondContact O-N 3.42Å; L285-K287 PolarHBondContact O-N 2.81Å; L285-L288 HydrophobicContact CD2-CD1 4Å; L285-L288 WeakPolarHBondContact O-CB 3.25Å; L285-L288 WeakPolarHBondContact O-CG 3.45Å; L285-L288 PolarHBondContact O-N 3.36Å
286D91.1Very high95Very high53 Ų5374.1 Ų74.128%0.28336%0.364SS..G310 helixtrans-68.9-8.6176.862.4-44.6000114I280 G284I280-D286 HydrophobicContact CG2-CB 3.84Å; G284-D286 VanDerWaalsContact C-N 3.27Å; G284-D286 PolarHBondContact O-N 3.33Å
287K90.1Very high94.8Very high178 Ų17880.3 Ų80.377%0.77440%0.395SS*.G310 helixtrans-94.3-4.2178-58.9177.6-176.7172.90113.5G284 L285G284-K287 PolarHBondContact O-N 3.26Å; L285-K287 PolarHBondContact O-N 2.81Å
288L85.9Confident94.6Very high80 Ų8083.5 Ų83.542%0.41941%0.41SS..  trans-69.30175.7-66.7175.7000112.2R182 L285R182-L288 HydrophobicContact CB-CB 4.42Å; R182-L288 WeakPolarHBondContact CB-OXT 3.37Å; R182-L288 WeakPolarHBondContact CD-OXT 3.31Å; L285-L288 HydrophobicContact CD2-CD1 4Å; L285-L288 WeakPolarHBondContact O-CB 3.25Å; L285-L288 WeakPolarHBondContact O-CG 3.45Å; L285-L288 PolarHBondContact O-N 3.36Å

Retrieved 288 of 288 residues in 286.9 ms (Link to these results)

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