A0A087XK70_POEFO Loading...

Kelch like family member 10

AlphaFold DB , UniProt , Accession A0A087XK70, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 574 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
1M30.4Very low33.8Very low228 Ų228158.3 Ų158.3100%1.12381%0.814SS**  0116.20-93.6164.9168.600105.8D3M1-D3 PolarHBondContact O-N 3.33Å
2N32.8Very low35.6Very low166 Ų166153.8 Ų153.889%0.88879%0.793SS**  trans-78.294.7-174.6-76.8-10.1000109.4K4N2-K4 PolarHBondContact O-N 3.07Å
3D30.7Very low38.3Very low151 Ų151144.1 Ų144.181%0.80775%0.747SS**  trans-85.692.5171.4-76.4-26.1000109.7M1 V5M1-D3 PolarHBondContact O-N 3.33Å; D3-V5 PolarHBondContact O-N 3.37Å
4K28.6Very low41.4Very low181 Ų181140.6 Ų140.679%0.78774%0.735SS**  trans-69.1105160.2-83.5-175.7172.3-174.50108.1N2 Q6N2-K4 PolarHBondContact O-N 3.07Å; K4-Q6 PolarHBondContact O-N 3.5Å; K4-Q6 VanDerWaalsContact O-N 3.11Å
5V28.9Very low44.1Very low122 Ų122140.7 Ų140.774%0.73972%0.723SS**  trans-72.999.1161.5179.50000107.4D3 H7D3-V5 PolarHBondContact O-N 3.37Å; V5-H7 PolarHBondContact O-N 2.98Å
6Q27.1Very low46.5Very low152 Ų152132.8 Ų132.871%0.7168%0.682SS**  trans-90.795.8-179.1-142.3171.1000108.8K4K4-Q6 PolarHBondContact O-N 3.5Å; K4-Q6 VanDerWaalsContact O-N 3.11Å
7H30.7Very low48.6Very low158 Ų158131.5 Ų131.573%0.73167%0.673SS**  trans-74.8140.6162.3-80.7-69.3000109.6V5 S9V5-H7 PolarHBondContact O-N 2.98Å; H7-S9 PolarHBondContact O-N 3.34Å; H7-S9 VanDerWaalsContact O-N 3.16Å
8P34.8Very low50.5Low128 Ų128127 Ų12783%0.83165%0.65SS**SBendtrans-81.797.9-175.431.6-31.3000110.8
9S38.8Very low52.3Low92 Ų92121.1 Ų121.164%0.64362%0.619SS**  trans-15555.8161.669.40000112.5H7 Q11H7-S9 PolarHBondContact O-N 3.34Å; H7-S9 VanDerWaalsContact O-N 3.16Å; S9-Q11 PolarHBondContact O-N 2.97Å
10E41.9Very low54Low184 Ų184121.3 Ų121.386%0.8662%0.621SS**  trans-75.868.5159.9-77.2-178.9177.100109.3
11Q46.9Very low55.4Low179 Ų179118.4 Ų118.484%0.83662%0.615SS**  trans-113.2101.2150.4-84.4-175.6-14.500104.9S9 S13S9-Q11 PolarHBondContact O-N 2.97Å; Q11-S13 PolarHBondContact O-N 2.98Å
12D56Low57.7Low105 Ų105109.5 Ų109.556%0.56158%0.582SS**  trans-49.4109164.6-102.9-29.3000107.1V14D12-V14 PolarHBondContact O-N 2.87Å; D12-V14 VanDerWaalsContact O-N 3.15Å
13S70Confident59.8Low27 Ų27108.1 Ų108.119%0.18957%0.568CS.*  trans-47.9124.7178.8158.60000108.2Q11 Y15 N16 Q17 Y83Q11-S13 PolarHBondContact O-N 2.98Å; S13-Y15 PolarHBondContact O-N 3.38Å; S13-Y15 WeakPolarHBondContact OG-CB 3.47Å; S13-Y15 WeakPolarHBondContact OG-CD2 3.34Å; S13-Y15 PolarHBondContact OG-N 3.42Å; S13-N16 WeakPolarHBondContact O-CA 3.37Å; S13-N16 VanDerWaalsContact O-CB 3.3Å; S13-N16 WeakPolarHBondContact O-CB 3.45Å; S13-N16 PolarHBondContact O-N 3.17Å; S13-Q17 PolarHBondContact O-N 3Å; S13-Y83 WeakPolarHBondContact CB-O 3.34Å; S13-Y83 PolarHBondContact OG-O 3.49Å; S13-Y83 VanDerWaalsContact OG-O 3.11Å
14V81.3Confident62.2Low96 Ų96107.7 Ų107.758%0.58257%0.565SS**Hα-helixtrans-50.8-32.3177.81750000110.3D12 Q17 L18D12-V14 PolarHBondContact O-N 2.87Å; D12-V14 VanDerWaalsContact O-N 3.15Å; V14-Q17 PolarHBondContact O-N 3.37Å; V14-L18 HydrophobicContact CG1-CD1 4.21Å; V14-L18 WeakPolarHBondContact O-CG 3.42Å; V14-L18 PolarHBondContact O-N 3.06Å
15Y82.1Confident64.8Low142 Ų142101 Ų10156%0.55754%0.539SS*.Hα-helixtrans-66-34.7175.2-52-68.4000113.5S13 L18 R19 I42S13-Y15 PolarHBondContact O-N 3.38Å; S13-Y15 WeakPolarHBondContact OG-CB 3.47Å; S13-Y15 WeakPolarHBondContact OG-CD2 3.34Å; S13-Y15 PolarHBondContact OG-N 3.42Å; Y15-L18 PolarHBondContact O-N 3.48Å; Y15-R19 WeakPolarHBondContact O-CB 3.5Å; Y15-R19 PolarHBondContact O-N 3.22Å; Y15-I42 HydrophobicContact CD1-CD1 4.14Å; Y15-I42 HydrophobicContact CG-CD1 3.86Å
16N83Confident67.5Low13 Ų1398.6 Ų98.67%0.0752%0.522CS..Hα-helixtrans-67.7-41.1175.5-16431.2000111.2S13 R19 L20 Y83 T84S13-N16 WeakPolarHBondContact O-CA 3.37Å; S13-N16 VanDerWaalsContact O-CB 3.3Å; S13-N16 WeakPolarHBondContact O-CB 3.45Å; S13-N16 PolarHBondContact O-N 3.17Å; N16-R19 WeakPolarHBondContact O-CB 3.33Å; N16-R19 PolarHBondContact O-N 3.1Å; N16-R19 PolarHBondContact OD1-NE 3.3Å; N16-R19 VanDerWaalsContact OD1-NE 3.15Å; N16-R19 PolarHBondContact OD1-NH2 2.76Å; N16-L20 WeakPolarHBondContact O-CG 3.3Å; N16-L20 PolarHBondContact O-N 3.3Å; N16-Y83 HydrophobicContact CB-CD1 4.36Å; N16-T84 HydrophobicContact CB-CG2 4.45Å
17Q83Confident70.3Confident112 Ų11291.4 Ų91.452%0.52349%0.489SS..Hα-helixtrans-64.1-41.3175.7-64.2-177.5-2.300111.8S13 V14 L20 A21S13-Q17 PolarHBondContact O-N 3Å; V14-Q17 PolarHBondContact O-N 3.37Å; Q17-L20 PolarHBondContact O-N 2.96Å; Q17-A21 WeakPolarHBondContact O-CB 3.39Å; Q17-A21 PolarHBondContact O-N 3.14Å
18L82.8Confident73Confident50 Ų5086 Ų8626%0.26247%0.467SS..Hα-helixtrans-63.7-40.7175.1-71.2170.5000112.1V14 Y15 A21 G22 K23V14-L18 HydrophobicContact CG1-CD1 4.21Å; V14-L18 WeakPolarHBondContact O-CG 3.42Å; V14-L18 PolarHBondContact O-N 3.06Å; Y15-L18 PolarHBondContact O-N 3.48Å; L18-A21 PolarHBondContact O-N 3.22Å; L18-G22 PolarHBondContact O-N 2.69Å; L18-K23 HydrophobicContact CD2-CB 4.16Å; L18-K23 PolarHBondContact O-N 2.83Å
19R84.5Confident75.6Confident14 Ų1479.9 Ų79.95%0.05343%0.427CS..Hα-helixtrans-59.9-51.8175.2-174.9-171.763.3114.2-7.2111.8Y15 N16 A21 G22 P37 D80 Y83Y15-R19 WeakPolarHBondContact O-CB 3.5Å; Y15-R19 PolarHBondContact O-N 3.22Å; N16-R19 WeakPolarHBondContact O-CB 3.33Å; N16-R19 PolarHBondContact O-N 3.1Å; N16-R19 PolarHBondContact OD1-NE 3.3Å; N16-R19 VanDerWaalsContact OD1-NE 3.15Å; N16-R19 PolarHBondContact OD1-NH2 2.76Å; R19-A21 PolarHBondContact O-N 2.78Å; R19-G22 PolarHBondContact O-N 3.15Å; R19-P37 WeakPolarHBondContact CG-O 3.45Å; R19-D80 IonicContact CZ-OD1 3.59Å; R19-D80 IonicContact NH1-OD1 3.77Å; R19-D80 IonicContact NH2-OD1 2.69Å; R19-D80 PolarHBondContact NH2-OD1 3.48Å; R19-Y83 HydrophobicContact CB-CD1 4.47Å; R19-Y83 HydrophobicContact CB-CE1 3.99Å; R19-Y83 HydrophobicContact CG-CE1 4.37Å
20L84.8Confident77.9Confident126 Ų12677.1 Ų77.166%0.6641%0.405SS*.Hα-helixtrans-64-30.5-180-68.3173.1000112.5N16 Q17 G22N16-L20 WeakPolarHBondContact O-CG 3.3Å; N16-L20 PolarHBondContact O-N 3.3Å; Q17-L20 PolarHBondContact O-N 2.96Å; L20-G22 VanDerWaalsContact C-N 3.28Å
21A83.3Confident80.1Confident60 Ų6068.3 Ų68.350%0.49636%0.364SS..THydrogen-bonded Turntrans-80.6-3.217400000113.9Q17 L18 R19 K23Q17-A21 WeakPolarHBondContact O-CB 3.39Å; Q17-A21 PolarHBondContact O-N 3.14Å; L18-A21 PolarHBondContact O-N 3.22Å; R19-A21 PolarHBondContact O-N 2.78Å; A21-K23 HydrophobicContact CB-CD 4.34Å; A21-K23 HydrophobicContact CB-CG 4.17Å; A21-K23 PolarHBondContact O-N 2.87Å
22G79.7Confident81.9Confident42 Ų4266.5 Ų66.543%0.43336%0.355SS..THydrogen-bonded Turntrans63.526-176.800000113.9L18 R19 L20L18-G22 PolarHBondContact O-N 2.69Å; R19-G22 PolarHBondContact O-N 3.15Å; L20-G22 VanDerWaalsContact C-N 3.28Å
23K77.8Confident83.1Confident136 Ų13664.9 Ų64.959%0.59136%0.363SS*.  trans-101133.6-177.1-68.8-175.4-179.8178.30110.1L18 A21 T25 H39L18-K23 HydrophobicContact CD2-CB 4.16Å; L18-K23 PolarHBondContact O-N 2.83Å; A21-K23 HydrophobicContact CB-CD 4.34Å; A21-K23 HydrophobicContact CB-CG 4.17Å; A21-K23 PolarHBondContact O-N 2.87Å; K23-T25 PolarHBondContact O-N 2.71Å; K23-H39 PolarHBondContact O-NE2 3.15Å
24L80.1Confident83.9Confident142 Ų14266.7 Ų66.774%0.74337%0.373SS*.SBendtrans63.213178.2-55.2171.9000115H39L24-H39 PolarHBondContact O-CD2 2.76Å; L24-H39 PolarHBondContact O-NE2 2.8Å
25T82.4Confident84.2Confident42 Ų4264.1 Ų64.126%0.25837%0.366SS..  trans-76131.8174.254.20000110.3K23 P37 V38K23-T25 PolarHBondContact O-N 2.71Å; T25-P37 HydrophobicContact CG2-CB 4.02Å; T25-V38 WeakPolarHBondContact CA-O 3.31Å; T25-V38 WeakPolarHBondContact CB-O 3.31Å
26D85.6Confident84.6Confident70 Ų7058.8 Ų58.837%0.37435%0.345SS..  trans-114.44.2-173.559.3-6.4000112.8V38 H39 K40D26-V38 PolarHBondContact N-O 2.98Å; D26-V38 VanDerWaalsContact N-O 3.14Å; D26-H39 VanDerWaalsContact OD1-CA 3.23Å; D26-H39 WeakPolarHBondContact OD1-CA 3.48Å; D26-K40 WeakPolarHBondContact O-CE 3.42Å; D26-K40 PolarHBondContact O-NZ 3.02Å; D26-K40 WeakPolarHBondContact OD1-CG 3.38Å; D26-K40 PolarHBondContact OD1-N 3Å
27A86.3Confident84.8Confident2 Ų260.2 Ų60.22%0.01736%0.356CS..EExtended strand (participates in β ladder)trans-151.3159.8169.600000112.6V38 K40 E63 F65A27-V38 HydrophobicContact CB-CG2 3.82Å; A27-V38 PolarHBondContact N-O 3.25Å; A27-V38 WeakPolarHBondContact O-CG2 3.43Å; A27-V38 PolarHBondContact O-N 3.03Å; A27-K40 HydrophobicContact CB-CD 4.47Å; A27-K40 HydrophobicContact CB-CG 3.9Å; A27-E63 CarbonylContact C-O 3.45Å; A27-E63 VanDerWaalsContact CA-O 3.26Å; A27-E63 WeakPolarHBondContact CA-O 3.45Å; A27-F65 HydrophobicContact CB-CD2 4.05Å; A27-F65 HydrophobicContact CB-CE2 3.96Å
28V88.1Confident85.2Confident43 Ų4354.9 Ų54.926%0.26133%0.331SS..EExtended strand (participates in β ladder)trans-125.8118.5169.4-177.70000108.5I30 F36 E63 I64 F65V28-I30 HydrophobicContact CG1-CG1 4.35Å; V28-F36 CarbonylContact C-O 3.56Å; V28-F36 VanDerWaalsContact CA-O 3.29Å; V28-F36 WeakPolarHBondContact CA-O 3.46Å; V28-E63 PolarHBondContact N-O 3.09Å; V28-I64 HydrophobicContact CB-CG1 4.48Å; V28-I64 WeakPolarHBondContact O-CA 3.5Å; V28-F65 PolarHBondContact O-N 3.22Å
29I88.5Confident85.5Confident0 Ų053.3 Ų53.30%032%0.322CS..EExtended strand (participates in β ladder)trans-88.9128.5172.5-68.9170.9000108.5G35 F36 V38 L43 F50 F65 I67 M75 L79I29-G35 CarbonylContact O-C 3.56Å; I29-G35 WeakPolarHBondContact O-CA 3.26Å; I29-F36 PolarHBondContact N-O 3.27Å; I29-F36 PolarHBondContact O-N 3.42Å; I29-V38 HydrophobicContact CD1-CG1 4.32Å; I29-V38 HydrophobicContact CD1-CG2 4.02Å; I29-V38 HydrophobicContact CG1-CG2 4.04Å; I29-L43 HydrophobicContact CD1-CD1 3.62Å; I29-F50 HydrophobicContact CD1-CD1 4.23Å; I29-F50 HydrophobicContact CD1-CE1 3.52Å; I29-F50 HydrophobicContact CD1-CE2 4.39Å; I29-F50 HydrophobicContact CD1-CZ 3.63Å; I29-F50 HydrophobicContact CG1-CE1 4.34Å; I29-F65 CarbonylContact C-O 3.51Å; I29-F65 WeakPolarHBondContact CA-O 3.47Å; I29-I67 HydrophobicContact CG2-CD1 3.54Å; I29-I67 HydrophobicContact CG2-CG1 4.08Å; I29-M75 HydrophobicContact CG2-CE 4.26Å; I29-M75 HydrophobicContact CG2-CG 4.33Å; I29-M75 HydrophobicContact CG2-SD 4.16Å; I29-L79 HydrophobicContact CD1-CD2 4.29Å
30I87.7Confident85.6Confident34 Ų3455 Ų5517%0.17433%0.33CS..EExtended strand (participates in β ladder)trans-107.3118175.4-60.8-178.7000109.4V28 V34 I64 F65 H66 I67V28-I30 HydrophobicContact CG1-CG1 4.35Å; I30-V34 WeakPolarHBondContact CA-O 3.48Å; I30-I64 HydrophobicContact CD1-CG2 3.29Å; I30-I64 HydrophobicContact CG1-CG2 3.9Å; I30-F65 PolarHBondContact N-O 2.89Å; I30-H66 VanDerWaalsContact CD1-CE1 3.47Å; I30-H66 WeakPolarHBondContact CD1-CE1 3.06Å; I30-I67 PolarHBondContact O-N 3.22Å
31A87.5Confident85.6Confident0 Ų055.4 Ų55.40%033%0.331CS..EExtended strand (participates in β ladder)trans-125.7128.5173.300000109G33 V34 F36 M75A31-G33 PolarHBondContact O-N 3.48Å; A31-V34 PolarHBondContact N-O 3.06Å; A31-V34 WeakPolarHBondContact O-CB 3.29Å; A31-V34 PolarHBondContact O-N 2.98Å; A31-F36 HydrophobicContact CB-CE2 4.3Å; A31-M75 HydrophobicContact CB-CB 3.88Å; A31-M75 HydrophobicContact CB-CE 4.43Å; A31-M75 HydrophobicContact CB-CG 3.97Å
32E85.5Confident85.7Confident140 Ų14054 Ų5465%0.65432%0.315SS*.THydrogen-bonded Turntrans48.132.4-175-83.3-178.4169.800115.2V34 I70 S71 A72E32-V34 PolarHBondContact O-N 3.28Å; E32-I70 WeakPolarHBondContact CG-O 3.2Å; E32-S71 VanDerWaalsContact OE2-CA 3.31Å; E32-S71 WeakPolarHBondContact OE2-CA 3.45Å; E32-S71 PolarHBondContact OE2-OG 3Å; E32-A72 HydrophobicContact CB-CB 4.3Å; E32-A72 PolarHBondContact OE2-N 3.13Å
33G81Confident86Confident71 Ų7152 Ų5273%0.73229%0.294SS*.THydrogen-bonded Turntrans79.3-0.7-178.400000114.7A31A31-G33 PolarHBondContact O-N 3.48Å
34V87.6Confident86.4Confident66 Ų6647.3 Ų47.340%0.428%0.278SS..EExtended strand (participates in β ladder)trans-91.6126171.5-176.40000109.4I30 A31 E32 F36 A72I30-V34 WeakPolarHBondContact CA-O 3.48Å; A31-V34 PolarHBondContact N-O 3.06Å; A31-V34 WeakPolarHBondContact O-CB 3.29Å; A31-V34 PolarHBondContact O-N 2.98Å; E32-V34 PolarHBondContact O-N 3.28Å; V34-F36 HydrophobicContact CB-CE2 3.94Å; V34-F36 HydrophobicContact CB-CZ 4.17Å; V34-F36 HydrophobicContact CG1-CD2 4.43Å; V34-F36 HydrophobicContact CG1-CE1 4.2Å; V34-F36 HydrophobicContact CG1-CE2 3.73Å; V34-F36 HydrophobicContact CG1-CZ 3.6Å; V34-A72 HydrophobicContact CB-CB 3.81Å; V34-A72 HydrophobicContact CG1-CB 4.47Å; V34-A72 HydrophobicContact CG2-CB 3.62Å
35G87.7Confident86.7Confident41 Ų4147.7 Ų47.742%0.42328%0.281SS..EExtended strand (participates in β ladder)trans-94.4128.6178.400000112.4I29I29-G35 CarbonylContact O-C 3.56Å; I29-G35 WeakPolarHBondContact O-CA 3.26Å
36F89.2Confident86.7Confident30 Ų3047.3 Ų47.313%0.13228%0.28CS..EExtended strand (participates in β ladder)trans-114.4112.4179-62.1-86.4000109.9V28 I29 A31 V34 V38 A72 M75 L79V28-F36 CarbonylContact C-O 3.56Å; V28-F36 VanDerWaalsContact CA-O 3.29Å; V28-F36 WeakPolarHBondContact CA-O 3.46Å; I29-F36 PolarHBondContact N-O 3.27Å; I29-F36 PolarHBondContact O-N 3.42Å; A31-F36 HydrophobicContact CB-CE2 4.3Å; V34-F36 HydrophobicContact CB-CE2 3.94Å; V34-F36 HydrophobicContact CB-CZ 4.17Å; V34-F36 HydrophobicContact CG1-CD2 4.43Å; V34-F36 HydrophobicContact CG1-CE1 4.2Å; V34-F36 HydrophobicContact CG1-CE2 3.73Å; V34-F36 HydrophobicContact CG1-CZ 3.6Å; F36-V38 HydrophobicContact CB-CG1 4.5Å; F36-A72 HydrophobicContact CE2-CB 4.39Å; F36-A72 HydrophobicContact CZ-CB 4.22Å; F36-A72 VanDerWaalsContact CZ-O 3.31Å; F36-A72 WeakPolarHBondContact CZ-O 3.49Å; F36-M75 HydrophobicContact CD2-CG 4.15Å; F36-M75 HydrophobicContact CE2-CB 4.36Å; F36-M75 HydrophobicContact CE2-CG 4.17Å; F36-L79 HydrophobicContact CB-CD1 3.45Å; F36-L79 VanDerWaalsContact CB-CD1 3.45Å; F36-L79 HydrophobicContact CD1-CD1 3.89Å; F36-L79 HydrophobicContact CD2-CD1 4.37Å; F36-L79 HydrophobicContact CG-CD1 3.65Å
37P88.6Confident86.8Confident44 Ų4444 Ų4429%0.28626%0.262SS..EExtended strand (participates in β ladder)trans-72.1135.3174.832.6-35.2000109.5R19 T25R19-P37 WeakPolarHBondContact CG-O 3.45Å; T25-P37 HydrophobicContact CG2-CB 4.02Å
38V89.5Confident86.8Confident0 Ų047.7 Ų47.70%029%0.286CS..EExtended strand (participates in β ladder)trans-146159.3-171.9-63.20000112.1T25 D26 A27 I29 F36 L43 L79T25-V38 WeakPolarHBondContact CA-O 3.31Å; T25-V38 WeakPolarHBondContact CB-O 3.31Å; D26-V38 PolarHBondContact N-O 2.98Å; D26-V38 VanDerWaalsContact N-O 3.14Å; A27-V38 HydrophobicContact CB-CG2 3.82Å; A27-V38 PolarHBondContact N-O 3.25Å; A27-V38 WeakPolarHBondContact O-CG2 3.43Å; A27-V38 PolarHBondContact O-N 3.03Å; I29-V38 HydrophobicContact CD1-CG1 4.32Å; I29-V38 HydrophobicContact CD1-CG2 4.02Å; I29-V38 HydrophobicContact CG1-CG2 4.04Å; F36-V38 HydrophobicContact CB-CG1 4.5Å; V38-L43 HydrophobicContact CB-CD1 3.49Å; V38-L43 VanDerWaalsContact CB-CD1 3.49Å; V38-L43 HydrophobicContact CG1-CD1 3.85Å; V38-L43 HydrophobicContact CG2-CD1 3.44Å; V38-L43 VanDerWaalsContact CG2-CD1 3.44Å; V38-L79 HydrophobicContact CG1-CD1 4Å; V38-L79 HydrophobicContact CG1-CD2 3.9Å
39H89.5Confident86.7Confident17 Ų1749 Ų498%0.07929%0.286CS..  trans-97.2118.7168.4-5286.7000109.4K23 L24 D26 I41 I42 L43 Y83K23-H39 PolarHBondContact O-NE2 3.15Å; L24-H39 PolarHBondContact O-CD2 2.76Å; L24-H39 PolarHBondContact O-NE2 2.8Å; D26-H39 VanDerWaalsContact OD1-CA 3.23Å; D26-H39 WeakPolarHBondContact OD1-CA 3.48Å; H39-I41 PolarHBondContact O-N 3.42Å; H39-I42 HydrophobicContact CB-CB 4.45Å; H39-I42 HydrophobicContact CB-CD1 4.02Å; H39-I42 HydrophobicContact CB-CG1 4.19Å; H39-I42 PolarHBondContact O-N 3.15Å; H39-L43 PolarHBondContact O-N 3.43Å; H39-Y83 PolarHBondContact N-OH 3.38Å; H39-Y83 AromaticContact ND1-CE1 3.54Å; H39-Y83 AromaticContact ND1-CZ 3.72Å; H39-Y83 PolarHBondContact ND1-OH 2.98Å
40K86.2Confident86.6Confident50 Ų5049 Ų4922%0.21729%0.286CS..Hα-helixtrans-52.2-44-178.4-73.2172.9179.2168.70111.4D26 A27 I42 L43 C44 F54D26-K40 WeakPolarHBondContact O-CE 3.42Å; D26-K40 PolarHBondContact O-NZ 3.02Å; D26-K40 WeakPolarHBondContact OD1-CG 3.38Å; D26-K40 PolarHBondContact OD1-N 3Å; A27-K40 HydrophobicContact CB-CD 4.47Å; A27-K40 HydrophobicContact CB-CG 3.9Å; K40-I42 VanDerWaalsContact C-N 3.35Å; K40-I42 PolarHBondContact O-N 2.73Å; K40-L43 PolarHBondContact O-N 2.85Å; K40-C44 PolarHBondContact O-N 2.97Å; K40-C44 PolarHBondContact O-SG 3.11Å; K40-F54 HydrophobicContact CB-CD2 3.77Å; K40-F54 HydrophobicContact CB-CE2 3.98Å; K40-F54 HydrophobicContact CB-CG 4.3Å; K40-F54 HydrophobicContact CD-CD1 4.47Å; K40-F54 HydrophobicContact CD-CG 4.33Å; K40-F54 HydrophobicContact CG-CD1 4.18Å; K40-F54 HydrophobicContact CG-CD2 3.84Å; K40-F54 HydrophobicContact CG-CE1 4.26Å; K40-F54 HydrophobicContact CG-CE2 3.94Å; K40-F54 HydrophobicContact CG-CG 3.98Å; K40-F54 HydrophobicContact CG-CZ 4.15Å
41I85.2Confident86.5Confident134 Ų13449.7 Ų49.769%0.68729%0.294SS*.Hα-helixtrans-64.8-35-174.6-152.6164000113.6H39 N45H39-I41 PolarHBondContact O-N 3.42Å; I41-N45 PolarHBondContact O-N 2.88Å
42I85.9Confident86.3Confident29 Ų2954 Ų5415%0.14931%0.314CS..Hα-helixtrans-71.4-42.2179.5-65.7176.4000109.5Y15 H39 K40 N45 C46 A82 Y83Y15-I42 HydrophobicContact CD1-CD1 4.14Å; Y15-I42 HydrophobicContact CG-CD1 3.86Å; H39-I42 HydrophobicContact CB-CB 4.45Å; H39-I42 HydrophobicContact CB-CD1 4.02Å; H39-I42 HydrophobicContact CB-CG1 4.19Å; H39-I42 PolarHBondContact O-N 3.15Å; K40-I42 VanDerWaalsContact C-N 3.35Å; K40-I42 PolarHBondContact O-N 2.73Å; I42-N45 PolarHBondContact O-N 3.22Å; I42-C46 PolarHBondContact O-N 3.21Å; I42-A82 WeakPolarHBondContact CG2-O 3.46Å; I42-Y83 HydrophobicContact CB-CE1 4.45Å; I42-Y83 HydrophobicContact CB-CE2 4.41Å; I42-Y83 HydrophobicContact CD1-CD1 3.95Å; I42-Y83 HydrophobicContact CD1-CE1 3.35Å; I42-Y83 HydrophobicContact CG1-CE1 4.47Å; I42-Y83 HydrophobicContact CG2-CD1 4.34Å; I42-Y83 HydrophobicContact CG2-CD2 4.02Å; I42-Y83 HydrophobicContact CG2-CE1 4.15Å; I42-Y83 HydrophobicContact CG2-CE2 3.8Å; I42-Y83 HydrophobicContact CG2-CG 4.3Å
43L86.7Confident86.3Confident1 Ų149.3 Ų49.31%0.00529%0.293CS..Hα-helixtrans-68.1-39.7176.4-79.9161.6000112.8I29 V38 H39 K40 N45 C46 T47 F50 F54 L79I29-L43 HydrophobicContact CD1-CD1 3.62Å; V38-L43 HydrophobicContact CB-CD1 3.49Å; V38-L43 VanDerWaalsContact CB-CD1 3.49Å; V38-L43 HydrophobicContact CG1-CD1 3.85Å; V38-L43 HydrophobicContact CG2-CD1 3.44Å; V38-L43 VanDerWaalsContact CG2-CD1 3.44Å; H39-L43 PolarHBondContact O-N 3.43Å; K40-L43 PolarHBondContact O-N 2.85Å; L43-N45 PolarHBondContact O-N 3.39Å; L43-C46 PolarHBondContact O-N 3.29Å; L43-C46 VanDerWaalsContact O-N 3.15Å; L43-T47 PolarHBondContact O-N 3.23Å; L43-F50 HydrophobicContact CB-CB 3.92Å; L43-F50 HydrophobicContact CB-CD2 4.07Å; L43-F50 HydrophobicContact CB-CG 4.07Å; L43-F50 HydrophobicContact CD2-CD2 3.51Å; L43-F50 HydrophobicContact CD2-CE2 3.69Å; L43-F50 HydrophobicContact CD2-CG 4.24Å; L43-F50 HydrophobicContact CG-CD2 4.29Å; L43-F54 HydrophobicContact CB-CE2 3.94Å; L43-F54 HydrophobicContact CD1-CE2 4.32Å; L43-F54 HydrophobicContact CD1-CZ 4.26Å; L43-L79 HydrophobicContact CD1-CD2 4.2Å; L43-L79 HydrophobicContact CD2-CD2 3.5Å; L43-L79 VanDerWaalsContact CD2-CD2 3.5Å; L43-L79 HydrophobicContact CG-CD2 4.3Å
44C86.2Confident86.5Confident37 Ų3747.1 Ų47.125%0.2526%0.264CS..Hα-helixtrans-57.5-37.2172.6-70.10000112.1K40 C51K40-C44 PolarHBondContact O-N 2.97Å; K40-C44 PolarHBondContact O-SG 3.11Å; C44-C51 HydrophobicContact CB-CB 3.99Å
45N85.1Confident86.2Confident150 Ų15048.5 Ų48.580%0.80227%0.272SS*.Hα-helixtrans-73.2-35.3178.2-172.359.5000112I41 I42 L43I41-N45 PolarHBondContact O-N 2.88Å; I42-N45 PolarHBondContact O-N 3.22Å; L43-N45 PolarHBondContact O-N 3.39Å
46C84.1Confident85.5Confident34 Ų3455.5 Ų55.523%0.2329%0.286CS..Hα-helixtrans-79.5-39.5-178.2-172.30000113I42 L43 A82I42-C46 PolarHBondContact O-N 3.21Å; L43-C46 PolarHBondContact O-N 3.29Å; L43-C46 VanDerWaalsContact O-N 3.15Å; C46-A82 HydrophobicContact CB-CB 3.77Å
47T85.9Confident84.3Confident1 Ų155.7 Ų55.71%0.00629%0.291CS..  trans-137.1133.3-177.489.20000113.4L43 Y49 F50 C51 L104 A106L43-T47 PolarHBondContact O-N 3.23Å; T47-Y49 PolarHBondContact O-N 3.18Å; T47-F50 HydrophobicContact CG2-CD2 4.25Å; T47-F50 PolarHBondContact O-N 2.87Å; T47-F50 WeakPolarHBondContact OG1-CD2 3.45Å; T47-F50 PolarHBondContact OG1-N 2.94Å; T47-C51 PolarHBondContact O-N 3.08Å; T47-L104 VanDerWaalsContact CB-O 3.23Å; T47-L104 WeakPolarHBondContact CB-O 2.95Å; T47-L104 PolarHBondContact OG1-O 2.65Å; T47-A106 HydrophobicContact CG2-CB 3.9Å
48P86.4Confident82.6Confident80 Ų8059.1 Ų59.152%0.51932%0.315SS..Hα-helixtrans-59.8-32.5174.3-24.334.2000113.2F50 C51 E52 C105P48-F50 PolarHBondContact O-N 3.33Å; P48-C51 WeakPolarHBondContact O-CB 3.44Å; P48-C51 PolarHBondContact O-N 3.15Å; P48-E52 PolarHBondContact O-N 3.38Å; P48-C105 WeakPolarHBondContact CD-O 3.16Å; P48-C105 HydrophobicContact CG-CB 4.37Å
49Y87.5Confident81Confident69 Ų6962.1 Ų62.127%0.27134%0.336SS..Hα-helixtrans-58.3-48.6178.8176.1-92.5000111.8T47 C51 E52 L53 L104T47-Y49 PolarHBondContact O-N 3.18Å; Y49-C51 VanDerWaalsContact C-N 3.33Å; Y49-E52 PolarHBondContact O-N 2.84Å; Y49-L53 HydrophobicContact CE1-CD2 4.14Å; Y49-L53 VanDerWaalsContact O-CB 3.31Å; Y49-L53 WeakPolarHBondContact O-CB 3.35Å; Y49-L53 PolarHBondContact O-N 2.93Å; Y49-L104 WeakPolarHBondContact CB-O 3.23Å; Y49-L104 HydrophobicContact CD1-CD2 3.47Å; Y49-L104 VanDerWaalsContact CD1-CD2 3.47Å; Y49-L104 HydrophobicContact CE1-CD2 3.67Å; Y49-L104 HydrophobicContact CG-CD2 4.1Å
50F86.4Confident79.4Confident0 Ų069.4 Ų69.40%037%0.374CS..Hα-helixtrans-68.8-35.1179.1-75.6-55.3000112.1I29 L43 T47 P48 E52 L53 F54 I67 L104I29-F50 HydrophobicContact CD1-CD1 4.23Å; I29-F50 HydrophobicContact CD1-CE1 3.52Å; I29-F50 HydrophobicContact CD1-CE2 4.39Å; I29-F50 HydrophobicContact CD1-CZ 3.63Å; I29-F50 HydrophobicContact CG1-CE1 4.34Å; L43-F50 HydrophobicContact CB-CB 3.92Å; L43-F50 HydrophobicContact CB-CD2 4.07Å; L43-F50 HydrophobicContact CB-CG 4.07Å; L43-F50 HydrophobicContact CD2-CD2 3.51Å; L43-F50 HydrophobicContact CD2-CE2 3.69Å; L43-F50 HydrophobicContact CD2-CG 4.24Å; L43-F50 HydrophobicContact CG-CD2 4.29Å; T47-F50 HydrophobicContact CG2-CD2 4.25Å; T47-F50 PolarHBondContact O-N 2.87Å; T47-F50 WeakPolarHBondContact OG1-CD2 3.45Å; T47-F50 PolarHBondContact OG1-N 2.94Å; P48-F50 PolarHBondContact O-N 3.33Å; F50-E52 PolarHBondContact O-N 3.25Å; F50-L53 HydrophobicContact CD1-CD2 4.11Å; F50-L53 HydrophobicContact CE1-CD2 4.35Å; F50-L53 PolarHBondContact O-N 3.24Å; F50-F54 HydrophobicContact CB-CD2 4.24Å; F50-F54 HydrophobicContact CB-CE2 3.77Å; F50-F54 HydrophobicContact CB-CZ 4.29Å; F50-F54 HydrophobicContact CD1-CE2 4.24Å; F50-F54 AromaticContact CD1-CZ 3.89Å; F50-F54 HydrophobicContact CD1-CZ 3.89Å; F50-F54 HydrophobicContact CG-CE2 4.3Å; F50-F54 HydrophobicContact CG-CZ 4.38Å; F50-F54 WeakPolarHBondContact O-CB 3.2Å; F50-F54 WeakPolarHBondContact O-CD2 3.42Å; F50-F54 WeakPolarHBondContact O-CG 3.5Å; F50-F54 PolarHBondContact O-N 3.42Å; F50-I67 HydrophobicContact CE1-CD1 3.47Å; F50-I67 VanDerWaalsContact CE1-CD1 3.47Å; F50-I67 HydrophobicContact CZ-CD1 3.62Å; F50-L104 HydrophobicContact CE2-CD1 4.12Å; F50-L104 HydrophobicContact CE2-CD2 4.12Å; F50-L104 HydrophobicContact CZ-CD1 4.31Å; F50-L104 HydrophobicContact CZ-CD2 3.89Å
51C84.8Confident78.1Confident49 Ų4974 Ų7433%0.33140%0.401SS..Hα-helixtrans-58.6-47.5173-166.80000111.7C44 T47 P48 Y49 T55C44-C51 HydrophobicContact CB-CB 3.99Å; T47-C51 PolarHBondContact O-N 3.08Å; P48-C51 WeakPolarHBondContact O-CB 3.44Å; P48-C51 PolarHBondContact O-N 3.15Å; Y49-C51 VanDerWaalsContact C-N 3.33Å; C51-T55 WeakPolarHBondContact O-CB 3.48Å; C51-T55 VanDerWaalsContact O-CG2 3.24Å; C51-T55 WeakPolarHBondContact O-CG2 3.44Å; C51-T55 PolarHBondContact O-N 2.81Å; C51-T55 PolarHBondContact O-OG1 2.97Å
52E84.1Confident77Confident91 Ų9171.9 Ų71.943%0.42539%0.388SS..Hα-helixtrans-68.8-40.5177.8-166.6174.8-178.900112.1P48 Y49 F50 T55 R56P48-E52 PolarHBondContact O-N 3.38Å; Y49-E52 PolarHBondContact O-N 2.84Å; F50-E52 PolarHBondContact O-N 3.25Å; E52-T55 WeakPolarHBondContact CA-OG1 3.48Å; E52-T55 PolarHBondContact O-N 3.25Å; E52-T55 PolarHBondContact O-OG1 3.45Å; E52-T55 VanDerWaalsContact O-OG1 3.12Å; E52-R56 HydrophobicContact CG-CG 4.43Å; E52-R56 WeakPolarHBondContact O-CB 3.16Å; E52-R56 WeakPolarHBondContact O-CG 3.45Å; E52-R56 PolarHBondContact O-N 3.11Å; E52-R56 IonicContact OE1-CZ 3.32Å; E52-R56 IonicContact OE1-NE 2.66Å; E52-R56 IonicContact OE1-NH1 2.91Å; E52-R56 PolarHBondContact OE1-NH1 3.26Å; E52-R56 IonicContact OE1-NH2 2.82Å; E52-R56 PolarHBondContact OE1-NH2 3.48Å
53L85Confident76.4Confident42 Ų4276.6 Ų76.622%0.2241%0.41CS..Hα-helixtrans-59.9-49.1177.5-176.167.9000111.2Y49 F50 S57 F65Y49-L53 HydrophobicContact CE1-CD2 4.14Å; Y49-L53 VanDerWaalsContact O-CB 3.31Å; Y49-L53 WeakPolarHBondContact O-CB 3.35Å; Y49-L53 PolarHBondContact O-N 2.93Å; F50-L53 HydrophobicContact CD1-CD2 4.11Å; F50-L53 HydrophobicContact CE1-CD2 4.35Å; F50-L53 PolarHBondContact O-N 3.24Å; L53-S57 VanDerWaalsContact O-CB 3.23Å; L53-S57 WeakPolarHBondContact O-CB 3.4Å; L53-S57 PolarHBondContact O-N 3.41Å; L53-S57 PolarHBondContact O-OG 3.24Å; L53-F65 HydrophobicContact CD1-CD1 4.49Å; L53-F65 HydrophobicContact CD2-CB 4.43Å; L53-F65 HydrophobicContact CD2-CD1 3.89Å; L53-F65 HydrophobicContact CD2-CG 4.37Å; L53-F65 HydrophobicContact CG-CD1 4.03Å; L53-F65 HydrophobicContact CG-CE1 4.34Å
54F84.8Confident76.2Confident24 Ų2480.7 Ų80.711%0.10543%0.431CS..Hα-helixtrans-73.1-30-177.8-60-35.4000113K40 L43 F50 F65K40-F54 HydrophobicContact CB-CD2 3.77Å; K40-F54 HydrophobicContact CB-CE2 3.98Å; K40-F54 HydrophobicContact CB-CG 4.3Å; K40-F54 HydrophobicContact CD-CD1 4.47Å; K40-F54 HydrophobicContact CD-CG 4.33Å; K40-F54 HydrophobicContact CG-CD1 4.18Å; K40-F54 HydrophobicContact CG-CD2 3.84Å; K40-F54 HydrophobicContact CG-CE1 4.26Å; K40-F54 HydrophobicContact CG-CE2 3.94Å; K40-F54 HydrophobicContact CG-CG 3.98Å; K40-F54 HydrophobicContact CG-CZ 4.15Å; L43-F54 HydrophobicContact CB-CE2 3.94Å; L43-F54 HydrophobicContact CD1-CE2 4.32Å; L43-F54 HydrophobicContact CD1-CZ 4.26Å; F50-F54 HydrophobicContact CB-CD2 4.24Å; F50-F54 HydrophobicContact CB-CE2 3.77Å; F50-F54 HydrophobicContact CB-CZ 4.29Å; F50-F54 HydrophobicContact CD1-CE2 4.24Å; F50-F54 AromaticContact CD1-CZ 3.89Å; F50-F54 HydrophobicContact CD1-CZ 3.89Å; F50-F54 HydrophobicContact CG-CE2 4.3Å; F50-F54 HydrophobicContact CG-CZ 4.38Å; F50-F54 WeakPolarHBondContact O-CB 3.2Å; F50-F54 WeakPolarHBondContact O-CD2 3.42Å; F50-F54 WeakPolarHBondContact O-CG 3.5Å; F50-F54 PolarHBondContact O-N 3.42Å; F54-F65 HydrophobicContact CD1-CD1 4.44Å; F54-F65 HydrophobicContact CD1-CD2 4.4Å; F54-F65 AromaticContact CD1-CE1 3.99Å; F54-F65 HydrophobicContact CD1-CE1 3.99Å; F54-F65 AromaticContact CD1-CE2 3.95Å; F54-F65 HydrophobicContact CD1-CE2 3.95Å; F54-F65 AromaticContact CD1-CZ 3.73Å; F54-F65 HydrophobicContact CD1-CZ 3.73Å; F54-F65 HydrophobicContact CE1-CD1 4.3Å; F54-F65 AromaticContact CE1-CD2 3.82Å; F54-F65 HydrophobicContact CE1-CD2 3.82Å; F54-F65 HydrophobicContact CE1-CE1 4.25Å; F54-F65 AromaticContact CE1-CE2 3.78Å; F54-F65 HydrophobicContact CE1-CE2 3.78Å; F54-F65 HydrophobicContact CE1-CG 4.09Å; F54-F65 HydrophobicContact CE1-CZ 4Å
55T81Confident76.1Confident95 Ų9579.6 Ų79.658%0.58342%0.422SS*.Hα-helixtrans-77.7-33.4176.850.50000113C51 E52C51-T55 WeakPolarHBondContact O-CB 3.48Å; C51-T55 VanDerWaalsContact O-CG2 3.24Å; C51-T55 WeakPolarHBondContact O-CG2 3.44Å; C51-T55 PolarHBondContact O-N 2.81Å; C51-T55 PolarHBondContact O-OG1 2.97Å; E52-T55 WeakPolarHBondContact CA-OG1 3.48Å; E52-T55 PolarHBondContact O-N 3.25Å; E52-T55 PolarHBondContact O-OG1 3.45Å; E52-T55 VanDerWaalsContact O-OG1 3.12Å
56R74Confident76Confident189 Ų18979 Ų7971%0.71341%0.414SS*.Hα-helixtrans-77.2-35.5175.2-78.7-172.6162.2148.88.5113.6E52 C58E52-R56 HydrophobicContact CG-CG 4.43Å; E52-R56 WeakPolarHBondContact O-CB 3.16Å; E52-R56 WeakPolarHBondContact O-CG 3.45Å; E52-R56 PolarHBondContact O-N 3.11Å; E52-R56 IonicContact OE1-CZ 3.32Å; E52-R56 IonicContact OE1-NE 2.66Å; E52-R56 IonicContact OE1-NH1 2.91Å; E52-R56 PolarHBondContact OE1-NH1 3.26Å; E52-R56 IonicContact OE1-NH2 2.82Å; E52-R56 PolarHBondContact OE1-NH2 3.48Å; R56-C58 PolarHBondContact O-N 2.97Å
57S63.2Low76Confident34 Ų3477.6 Ų77.624%0.23840%0.404CS..SBendtrans-83.144.6-177.2-44.60000111.9L53 S59L53-S57 VanDerWaalsContact O-CB 3.23Å; L53-S57 WeakPolarHBondContact O-CB 3.4Å; L53-S57 PolarHBondContact O-N 3.41Å; L53-S57 PolarHBondContact O-OG 3.24Å; S57-S59 PolarHBondContact O-N 3.28Å
58C52.8Low75.7Confident116 Ų11682.9 Ų82.978%0.78444%0.439SS*.  trans-78.664.5-172.8-158.90000111.6R56R56-C58 PolarHBondContact O-N 2.97Å
59S55.4Low75.4Confident63 Ų6383.1 Ų83.144%0.44146%0.455SS..  trans-108125.315261.90000106.7S57 D61 Q62S57-S59 PolarHBondContact O-N 3.28Å; S59-D61 PolarHBondContact O-N 2.97Å; S59-Q62 PolarHBondContact O-N 3.42Å; S59-Q62 WeakPolarHBondContact OG-CB 3.29Å
60L56Low75.3Confident169 Ų16979.9 Ų79.989%0.88544%0.443SS*.THydrogen-bonded Turntrans-56.2-18.3-170.7-84.6131.3000114
61D58.8Low75.4Confident147 Ų14781 Ų8179%0.78645%0.45SS*.THydrogen-bonded Turntrans-109.62.3-171.3-53.9-42.4000114.1S59 E63S59-D61 PolarHBondContact O-N 2.97Å; D61-E63 PolarHBondContact O-N 3.45Å; D61-E63 VanDerWaalsContact O-N 3.15Å
62Q62.2Low75.5Confident89 Ų8979.4 Ų79.442%0.41644%0.441SS..  trans-83.597.7179.6-153.8170.34.900110.5S59 F65S59-Q62 PolarHBondContact O-N 3.42Å; S59-Q62 WeakPolarHBondContact OG-CB 3.29Å; Q62-F65 WeakPolarHBondContact O-CE2 3.47Å
63E73.5Confident75.7Confident129 Ų12982.6 Ų82.660%0.60346%0.456SS*.  trans-91-23.2179.8-66.8-177.5169.900112.6A27 V28 D61A27-E63 CarbonylContact C-O 3.45Å; A27-E63 VanDerWaalsContact CA-O 3.26Å; A27-E63 WeakPolarHBondContact CA-O 3.45Å; V28-E63 PolarHBondContact N-O 3.09Å; D61-E63 PolarHBondContact O-N 3.45Å; D61-E63 VanDerWaalsContact O-N 3.15Å
64I83.3Confident75.9Confident86 Ų8680.8 Ų80.844%0.44145%0.446SS..EExtended strand (participates in β ladder)trans-109.5124.7-171.5-57.4176.6000111.5V28 I30V28-I64 HydrophobicContact CB-CG1 4.48Å; V28-I64 WeakPolarHBondContact O-CA 3.5Å; I30-I64 HydrophobicContact CD1-CG2 3.29Å; I30-I64 HydrophobicContact CG1-CG2 3.9Å
65F83.6Confident76.1Confident14 Ų1479.6 Ų79.66%0.06144%0.441CS..EExtended strand (participates in β ladder)trans-120.1115.7179.4-64.1-89.7000110.6A27 V28 I29 I30 L53 F54 Q62A27-F65 HydrophobicContact CB-CD2 4.05Å; A27-F65 HydrophobicContact CB-CE2 3.96Å; V28-F65 PolarHBondContact O-N 3.22Å; I29-F65 CarbonylContact C-O 3.51Å; I29-F65 WeakPolarHBondContact CA-O 3.47Å; I30-F65 PolarHBondContact N-O 2.89Å; L53-F65 HydrophobicContact CD1-CD1 4.49Å; L53-F65 HydrophobicContact CD2-CB 4.43Å; L53-F65 HydrophobicContact CD2-CD1 3.89Å; L53-F65 HydrophobicContact CD2-CG 4.37Å; L53-F65 HydrophobicContact CG-CD1 4.03Å; L53-F65 HydrophobicContact CG-CE1 4.34Å; F54-F65 HydrophobicContact CD1-CD1 4.44Å; F54-F65 HydrophobicContact CD1-CD2 4.4Å; F54-F65 AromaticContact CD1-CE1 3.99Å; F54-F65 HydrophobicContact CD1-CE1 3.99Å; F54-F65 AromaticContact CD1-CE2 3.95Å; F54-F65 HydrophobicContact CD1-CE2 3.95Å; F54-F65 AromaticContact CD1-CZ 3.73Å; F54-F65 HydrophobicContact CD1-CZ 3.73Å; F54-F65 HydrophobicContact CE1-CD1 4.3Å; F54-F65 AromaticContact CE1-CD2 3.82Å; F54-F65 HydrophobicContact CE1-CD2 3.82Å; F54-F65 HydrophobicContact CE1-CE1 4.25Å; F54-F65 AromaticContact CE1-CE2 3.78Å; F54-F65 HydrophobicContact CE1-CE2 3.78Å; F54-F65 HydrophobicContact CE1-CG 4.09Å; F54-F65 HydrophobicContact CE1-CZ 4Å; Q62-F65 WeakPolarHBondContact O-CE2 3.47Å
66H83.6Confident76.5Confident137 Ų13775.6 Ų75.663%0.63442%0.419SS*.EExtended strand (participates in β ladder)trans-89.3125.2176-68.2-91.1000110.4I30 P68I30-H66 VanDerWaalsContact CD1-CE1 3.47Å; I30-H66 WeakPolarHBondContact CD1-CE1 3.06Å; H66-P68 WeakPolarHBondContact O-CD 3.45Å
67I83.8Confident77.2Confident5 Ų568.7 Ų68.73%0.02640%0.396CS..  trans-114.197.8175-46.1176.6000108.1I29 I30 F50 I70 M75I29-I67 HydrophobicContact CG2-CD1 3.54Å; I29-I67 HydrophobicContact CG2-CG1 4.08Å; I30-I67 PolarHBondContact O-N 3.22Å; F50-I67 HydrophobicContact CE1-CD1 3.47Å; F50-I67 VanDerWaalsContact CE1-CD1 3.47Å; F50-I67 HydrophobicContact CZ-CD1 3.62Å; I67-I70 HydrophobicContact CB-CD1 4.18Å; I67-I70 HydrophobicContact CG2-CD1 3.3Å; I67-I70 HydrophobicContact CG2-CG1 4.15Å; I67-M75 HydrophobicContact CD1-CE 3.72Å
68P79.4Confident78.4Confident113 Ų11367.1 Ų67.173%0.73439%0.385SS*.THydrogen-bonded Turntrans-70.6145.2-176.328.6-33.3000111.3H66H66-P68 WeakPolarHBondContact O-CD 3.45Å
69G79.5Confident80.1Confident84 Ų8461.6 Ų61.687%0.86635%0.347SS*.THydrogen-bonded Turntrans84.68.9170.400000116.2
70I85.8Confident81.6Confident1 Ų161.6 Ų61.61%0.00534%0.343CS..  trans-110.7133.6175.8-56.1173.3000110.2E32 I67 M75 T100 L103 L104E32-I70 WeakPolarHBondContact CG-O 3.2Å; I67-I70 HydrophobicContact CB-CD1 4.18Å; I67-I70 HydrophobicContact CG2-CD1 3.3Å; I67-I70 HydrophobicContact CG2-CG1 4.15Å; I70-M75 HydrophobicContact CB-CE 4.28Å; I70-M75 HydrophobicContact CD1-CE 3.49Å; I70-M75 VanDerWaalsContact CD1-CE 3.49Å; I70-M75 HydrophobicContact CG1-CE 4.5Å; I70-M75 HydrophobicContact CG2-CB 4.1Å; I70-M75 HydrophobicContact CG2-CE 3.94Å; I70-T100 HydrophobicContact CB-CG2 4.34Å; I70-T100 HydrophobicContact CD1-CG2 3.84Å; I70-T100 HydrophobicContact CG1-CG2 4.01Å; I70-T100 HydrophobicContact CG2-CG2 3.39Å; I70-L103 HydrophobicContact CD1-CD2 3.99Å; I70-L103 HydrophobicContact CG1-CD2 4.09Å; I70-L104 HydrophobicContact CD1-CD1 4.48Å; I70-L104 HydrophobicContact CD1-CD2 4.26Å; I70-L104 HydrophobicContact CD1-CG 4.45Å
71S88.3Confident83.2Confident23 Ų2355.3 Ų55.316%0.16131%0.307CS..  trans-65.1138.8173.9178.40000112.2E32 E73 V74 M75E32-S71 VanDerWaalsContact OE2-CA 3.31Å; E32-S71 WeakPolarHBondContact OE2-CA 3.45Å; E32-S71 PolarHBondContact OE2-OG 3Å; S71-E73 PolarHBondContact O-N 2.99Å; S71-E73 PolarHBondContact OG-N 2.82Å; S71-V74 PolarHBondContact O-N 3.21Å; S71-M75 WeakPolarHBondContact O-CB 3.05Å; S71-M75 PolarHBondContact O-N 2.86Å
72A87.5Confident84.5Confident16 Ų1649 Ų4913%0.13228%0.275CS..Hα-helixtrans-57.5-35.7176.700000112.4E32 V34 F36 G76E32-A72 HydrophobicContact CB-CB 4.3Å; E32-A72 PolarHBondContact OE2-N 3.13Å; V34-A72 HydrophobicContact CB-CB 3.81Å; V34-A72 HydrophobicContact CG1-CB 4.47Å; V34-A72 HydrophobicContact CG2-CB 3.62Å; F36-A72 HydrophobicContact CE2-CB 4.39Å; F36-A72 HydrophobicContact CZ-CB 4.22Å; F36-A72 VanDerWaalsContact CZ-O 3.31Å; F36-A72 WeakPolarHBondContact CZ-O 3.49Å; A72-G76 PolarHBondContact O-N 2.77Å
73E88.6Confident85.7Confident158 Ų15845.2 Ų45.274%0.73826%0.258SS*.Hα-helixtrans-65.9-47.8178.9-64.6-177178.100111.7S71 G76 L77S71-E73 PolarHBondContact O-N 2.99Å; S71-E73 PolarHBondContact OG-N 2.82Å; E73-G76 PolarHBondContact O-N 3.16Å; E73-L77 PolarHBondContact O-N 3.46Å
74V88.9Confident86.3Confident4 Ų441 Ų412%0.02424%0.24CC..Hα-helixtrans-68.6-39.2-179.2-179.50000111.3S71 G76 L77 I78 Q96 L97 T100S71-V74 PolarHBondContact O-N 3.21Å; V74-G76 VanDerWaalsContact C-N 3.3Å; V74-G76 PolarHBondContact O-N 3.36Å; V74-L77 PolarHBondContact O-N 3.17Å; V74-I78 HydrophobicContact CG1-CD1 4.33Å; V74-I78 WeakPolarHBondContact O-CG1 3.32Å; V74-I78 PolarHBondContact O-N 3.16Å; V74-I78 VanDerWaalsContact O-N 3.11Å; V74-Q96 HydrophobicContact CG2-CB 3.96Å; V74-L97 HydrophobicContact CG1-CB 4.27Å; V74-L97 HydrophobicContact CG1-CD1 3.83Å; V74-T100 HydrophobicContact CG1-CG2 3.96Å; V74-T100 WeakPolarHBondContact CG1-OG1 3.5Å
75M89.8Confident86.2Confident0 Ų043.2 Ų43.20%025%0.253CS..Hα-helixtrans-60-44.1172.4-177.55967.600110.6I29 A31 F36 I67 I70 S71 L77 I78 L79 L104I29-M75 HydrophobicContact CG2-CE 4.26Å; I29-M75 HydrophobicContact CG2-CG 4.33Å; I29-M75 HydrophobicContact CG2-SD 4.16Å; A31-M75 HydrophobicContact CB-CB 3.88Å; A31-M75 HydrophobicContact CB-CE 4.43Å; A31-M75 HydrophobicContact CB-CG 3.97Å; F36-M75 HydrophobicContact CD2-CG 4.15Å; F36-M75 HydrophobicContact CE2-CB 4.36Å; F36-M75 HydrophobicContact CE2-CG 4.17Å; I67-M75 HydrophobicContact CD1-CE 3.72Å; I70-M75 HydrophobicContact CB-CE 4.28Å; I70-M75 HydrophobicContact CD1-CE 3.49Å; I70-M75 VanDerWaalsContact CD1-CE 3.49Å; I70-M75 HydrophobicContact CG1-CE 4.5Å; I70-M75 HydrophobicContact CG2-CB 4.1Å; I70-M75 HydrophobicContact CG2-CE 3.94Å; S71-M75 WeakPolarHBondContact O-CB 3.05Å; S71-M75 PolarHBondContact O-N 2.86Å; M75-L77 VanDerWaalsContact C-N 3.34Å; M75-L77 PolarHBondContact O-N 3.29Å; M75-I78 PolarHBondContact O-N 2.86Å; M75-L79 HydrophobicContact CG-CD1 4.18Å; M75-L79 HydrophobicContact CG-CG 4.4Å; M75-L79 VanDerWaalsContact O-CG 3.29Å; M75-L79 WeakPolarHBondContact O-CG 3.23Å; M75-L79 PolarHBondContact O-N 3.44Å; M75-L79 HydrophobicContact SD-CG 4.28Å; M75-L104 HydrophobicContact CE-CD1 4.15Å; M75-L104 HydrophobicContact SD-CD1 4.49Å
76G88.1Confident86.3Confident11 Ų1146.2 Ų46.211%0.11328%0.276CS..Hα-helixtrans-54.1-47.6174.300000112.6A72 E73 V74 I78 L79 D80A72-G76 PolarHBondContact O-N 2.77Å; E73-G76 PolarHBondContact O-N 3.16Å; V74-G76 VanDerWaalsContact C-N 3.3Å; V74-G76 PolarHBondContact O-N 3.36Å; G76-I78 PolarHBondContact O-N 3.28Å; G76-L79 PolarHBondContact O-N 3.16Å; G76-D80 WeakPolarHBondContact O-CB 3.05Å; G76-D80 VanDerWaalsContact O-CG 3.26Å; G76-D80 PolarHBondContact O-N 2.87Å
77L89.1Confident86.5Confident43 Ų4341.4 Ų41.423%0.22526%0.255CS..Hα-helixtrans-61.9-41178.5-69.4173.1000113.3E73 V74 M75 L79 D80 Y81E73-L77 PolarHBondContact O-N 3.46Å; V74-L77 PolarHBondContact O-N 3.17Å; M75-L77 VanDerWaalsContact C-N 3.34Å; M75-L77 PolarHBondContact O-N 3.29Å; L77-L79 VanDerWaalsContact C-N 3.35Å; L77-D80 PolarHBondContact O-N 3.15Å; L77-Y81 WeakPolarHBondContact O-CB 3.2Å; L77-Y81 PolarHBondContact O-N 3.05Å
78I88Confident86.6Confident1 Ų145.3 Ų45.31%0.00528%0.279CS..Hα-helixtrans-68.2-38.7178.1-65.9174.5000110.6V74 M75 G76 Y81 A82 L97 T100 L104V74-I78 HydrophobicContact CG1-CD1 4.33Å; V74-I78 WeakPolarHBondContact O-CG1 3.32Å; V74-I78 PolarHBondContact O-N 3.16Å; V74-I78 VanDerWaalsContact O-N 3.11Å; M75-I78 PolarHBondContact O-N 2.86Å; G76-I78 PolarHBondContact O-N 3.28Å; I78-Y81 PolarHBondContact O-N 3.28Å; I78-A82 WeakPolarHBondContact O-CB 3.16Å; I78-A82 PolarHBondContact O-N 3.07Å; I78-L97 HydrophobicContact CD1-CD1 4.24Å; I78-L97 HydrophobicContact CG1-CD1 3.85Å; I78-T100 HydrophobicContact CD1-CG2 3.44Å; I78-T100 VanDerWaalsContact CD1-CG2 3.44Å; I78-L104 HydrophobicContact CD1-CD1 3.81Å; I78-L104 HydrophobicContact CG2-CD1 4.17Å
79L88.9Confident87Confident0 Ų041.6 Ų41.60%025%0.253CS..Hα-helixtrans-66.3-44.8174-66.5180000111.1I29 F36 V38 L43 M75 G76 L77 Y81 A82 Y83I29-L79 HydrophobicContact CD1-CD2 4.29Å; F36-L79 HydrophobicContact CB-CD1 3.45Å; F36-L79 VanDerWaalsContact CB-CD1 3.45Å; F36-L79 HydrophobicContact CD1-CD1 3.89Å; F36-L79 HydrophobicContact CD2-CD1 4.37Å; F36-L79 HydrophobicContact CG-CD1 3.65Å; V38-L79 HydrophobicContact CG1-CD1 4Å; V38-L79 HydrophobicContact CG1-CD2 3.9Å; L43-L79 HydrophobicContact CD1-CD2 4.2Å; L43-L79 HydrophobicContact CD2-CD2 3.5Å; L43-L79 VanDerWaalsContact CD2-CD2 3.5Å; L43-L79 HydrophobicContact CG-CD2 4.3Å; M75-L79 HydrophobicContact CG-CD1 4.18Å; M75-L79 HydrophobicContact CG-CG 4.4Å; M75-L79 VanDerWaalsContact O-CG 3.29Å; M75-L79 WeakPolarHBondContact O-CG 3.23Å; M75-L79 PolarHBondContact O-N 3.44Å; M75-L79 HydrophobicContact SD-CG 4.28Å; G76-L79 PolarHBondContact O-N 3.16Å; L77-L79 VanDerWaalsContact C-N 3.35Å; L79-Y81 VanDerWaalsContact C-N 3.28Å; L79-Y81 PolarHBondContact O-N 2.82Å; L79-A82 WeakPolarHBondContact O-CB 3.41Å; L79-A82 PolarHBondContact O-N 2.96Å; L79-A82 VanDerWaalsContact O-N 3.15Å; L79-Y83 WeakPolarHBondContact O-CD2 3.47Å; L79-Y83 PolarHBondContact O-N 3.44Å
80D88.1Confident87.5Confident64 Ų6440.7 Ų40.734%0.34223%0.23SC..Hα-helixtrans-61.1-41.2177.4-70.1-16.5000110.8R19 G76 L77 Y83 T84R19-D80 IonicContact CZ-OD1 3.59Å; R19-D80 IonicContact NH1-OD1 3.77Å; R19-D80 IonicContact NH2-OD1 2.69Å; R19-D80 PolarHBondContact NH2-OD1 3.48Å; G76-D80 WeakPolarHBondContact O-CB 3.05Å; G76-D80 VanDerWaalsContact O-CG 3.26Å; G76-D80 PolarHBondContact O-N 2.87Å; L77-D80 PolarHBondContact O-N 3.15Å; D80-Y83 PolarHBondContact O-N 3.32Å; D80-T84 WeakPolarHBondContact O-CB 3.49Å; D80-T84 WeakPolarHBondContact O-CG2 3.2Å; D80-T84 PolarHBondContact O-N 3.05Å; D80-T84 PolarHBondContact O-OG1 3.26Å
81Y88.4Confident87.3Confident36 Ų3647.5 Ų47.514%0.14126%0.262CS..Hα-helixtrans-59.2-46.9172.4173.9-100.2000112.3L77 I78 L79 Y83 T84 N85 S86 L87 E108 V109L77-Y81 WeakPolarHBondContact O-CB 3.2Å; L77-Y81 PolarHBondContact O-N 3.05Å; I78-Y81 PolarHBondContact O-N 3.28Å; L79-Y81 VanDerWaalsContact C-N 3.28Å; L79-Y81 PolarHBondContact O-N 2.82Å; Y81-Y83 PolarHBondContact O-N 2.91Å; Y81-Y83 VanDerWaalsContact O-N 3.08Å; Y81-T84 PolarHBondContact O-N 3.11Å; Y81-N85 WeakPolarHBondContact O-CA 3.36Å; Y81-N85 PolarHBondContact O-N 3.3Å; Y81-S86 WeakPolarHBondContact CA-O 3.47Å; Y81-L87 HydrophobicContact CD2-CB 3.9Å; Y81-E108 WeakPolarHBondContact OH-CB 3.31Å; Y81-V109 HydrophobicContact CD1-CG2 3.44Å; Y81-V109 VanDerWaalsContact CD1-CG2 3.44Å; Y81-V109 HydrophobicContact CE1-CG2 3.48Å; Y81-V109 VanDerWaalsContact CE1-CG2 3.48Å; Y81-V109 HydrophobicContact CG-CG2 4.01Å
82A86.9Confident87.1Confident14 Ų1449.9 Ų49.912%0.11629%0.29CS..Hα-helixtrans-58.7-25.9179.900000113.5I42 C46 I78 L79I42-A82 WeakPolarHBondContact CG2-O 3.46Å; C46-A82 HydrophobicContact CB-CB 3.77Å; I78-A82 WeakPolarHBondContact O-CB 3.16Å; I78-A82 PolarHBondContact O-N 3.07Å; L79-A82 WeakPolarHBondContact O-CB 3.41Å; L79-A82 PolarHBondContact O-N 2.96Å; L79-A82 VanDerWaalsContact O-N 3.15Å
83Y86.3Confident87.1Confident11 Ų1150.3 Ų50.34%0.04329%0.291CS..Hα-helixtrans-101.2-27.9-178.5-77.8-103.4000113.9S13 N16 R19 H39 I42 L79 D80 Y81S13-Y83 WeakPolarHBondContact CB-O 3.34Å; S13-Y83 PolarHBondContact OG-O 3.49Å; S13-Y83 VanDerWaalsContact OG-O 3.11Å; N16-Y83 HydrophobicContact CB-CD1 4.36Å; R19-Y83 HydrophobicContact CB-CD1 4.47Å; R19-Y83 HydrophobicContact CB-CE1 3.99Å; R19-Y83 HydrophobicContact CG-CE1 4.37Å; H39-Y83 PolarHBondContact N-OH 3.38Å; H39-Y83 AromaticContact ND1-CE1 3.54Å; H39-Y83 AromaticContact ND1-CZ 3.72Å; H39-Y83 PolarHBondContact ND1-OH 2.98Å; I42-Y83 HydrophobicContact CB-CE1 4.45Å; I42-Y83 HydrophobicContact CB-CE2 4.41Å; I42-Y83 HydrophobicContact CD1-CD1 3.95Å; I42-Y83 HydrophobicContact CD1-CE1 3.35Å; I42-Y83 HydrophobicContact CG1-CE1 4.47Å; I42-Y83 HydrophobicContact CG2-CD1 4.34Å; I42-Y83 HydrophobicContact CG2-CD2 4.02Å; I42-Y83 HydrophobicContact CG2-CE1 4.15Å; I42-Y83 HydrophobicContact CG2-CE2 3.8Å; I42-Y83 HydrophobicContact CG2-CG 4.3Å; L79-Y83 WeakPolarHBondContact O-CD2 3.47Å; L79-Y83 PolarHBondContact O-N 3.44Å; D80-Y83 PolarHBondContact O-N 3.32Å; Y81-Y83 PolarHBondContact O-N 2.91Å; Y81-Y83 VanDerWaalsContact O-N 3.08Å
84T85.8Confident87.1Confident39 Ų3942.9 Ų42.924%0.23926%0.256CS..Hα-helixtrans-116-12.9-171.366.80000114N16 D80 Y81 S86N16-T84 HydrophobicContact CB-CG2 4.45Å; D80-T84 WeakPolarHBondContact O-CB 3.49Å; D80-T84 WeakPolarHBondContact O-CG2 3.2Å; D80-T84 PolarHBondContact O-N 3.05Å; D80-T84 PolarHBondContact O-OG1 3.26Å; Y81-T84 PolarHBondContact O-N 3.11Å; T84-S86 PolarHBondContact O-N 3.48Å; T84-S86 VanDerWaalsContact O-N 3.16Å; T84-S86 PolarHBondContact OG1-N 3.4Å
85N82.9Confident87Confident133 Ų13346.8 Ų46.871%0.71127%0.274SS*.SBendtrans54.320.1-166.9-65.5-30.9000114Y81Y81-N85 WeakPolarHBondContact O-CA 3.36Å; Y81-N85 PolarHBondContact O-N 3.3Å
86S84.2Confident86.9Confident77 Ų7751.8 Ų51.854%0.53830%0.297SS..  trans-111.1133.3176.4-168.70000110Y81 T84Y81-S86 WeakPolarHBondContact CA-O 3.47Å; T84-S86 PolarHBondContact O-N 3.48Å; T84-S86 VanDerWaalsContact O-N 3.16Å; T84-S86 PolarHBondContact OG1-N 3.4Å
87L87.9Confident86.9Confident37 Ų3751.3 Ų51.319%0.19429%0.292CS..  trans-132128.4-179-17667.6000109.8Y81 I89 L97 V109 A112Y81-L87 HydrophobicContact CD2-CB 3.9Å; L87-I89 HydrophobicContact CD2-CD1 3.77Å; L87-I89 HydrophobicContact CD2-CG1 3.78Å; L87-I89 HydrophobicContact CG-CD1 4.37Å; L87-I89 HydrophobicContact CG-CG1 3.85Å; L87-L97 HydrophobicContact CD1-CD1 4.48Å; L87-L97 HydrophobicContact CD1-CD2 4.09Å; L87-L97 HydrophobicContact CD2-CD2 4.29Å; L87-L97 HydrophobicContact CG-CD2 4.4Å; L87-V109 HydrophobicContact CD2-CB 4.45Å; L87-V109 HydrophobicContact CD2-CG1 3.82Å; L87-V109 HydrophobicContact CD2-CG2 4.46Å; L87-A112 HydrophobicContact CD2-CB 4.26Å
88T86.4Confident86.8Confident87 Ų8749.2 Ų49.253%0.53428%0.281SS..  trans-101.8104176.2-57.10000109.9T90 N93T88-T90 HydrophobicContact CG2-CG2 4.39Å; T88-N93 PolarHBondContact O-ND2 3.35Å
89I88.2Confident86.8Confident35 Ų3552.1 Ų52.118%0.17930%0.296CS..  trans-99.4134.6178.2-48.4178.9000109.2L87 V94 L97 A112 F116L87-I89 HydrophobicContact CD2-CD1 3.77Å; L87-I89 HydrophobicContact CD2-CG1 3.78Å; L87-I89 HydrophobicContact CG-CD1 4.37Å; L87-I89 HydrophobicContact CG-CG1 3.85Å; I89-V94 HydrophobicContact CG2-CB 3.85Å; I89-V94 HydrophobicContact CG2-CG2 3.78Å; I89-L97 HydrophobicContact CG1-CD2 4.16Å; I89-A112 HydrophobicContact CD1-CB 3.91Å; I89-F116 HydrophobicContact CB-CD1 4.43Å; I89-F116 HydrophobicContact CB-CD2 4.38Å; I89-F116 HydrophobicContact CB-CG 4.23Å; I89-F116 HydrophobicContact CD1-CB 4.37Å; I89-F116 HydrophobicContact CG2-CB 4Å; I89-F116 HydrophobicContact CG2-CD1 3.44Å; I89-F116 VanDerWaalsContact CG2-CD1 3.44Å; I89-F116 HydrophobicContact CG2-CD2 4.21Å; I89-F116 HydrophobicContact CG2-CE1 3.84Å; I89-F116 HydrophobicContact CG2-CG 3.61Å; I89-F116 HydrophobicContact CG2-CZ 4.42Å
90T89Confident86.7Confident64 Ų6452.7 Ų52.739%0.39330%0.3SS..  trans-137.8160.8178.664.20000110T88 G92 N93 V94T88-T90 HydrophobicContact CG2-CG2 4.39Å; T90-G92 PolarHBondContact O-N 2.92Å; T90-N93 PolarHBondContact N-ND2 2.63Å; T90-N93 PolarHBondContact N-OD1 3.2Å; T90-N93 PolarHBondContact O-N 3.25Å; T90-N93 VanDerWaalsContact O-N 3.13Å; T90-N93 PolarHBondContact O-OD1 3.42Å; T90-N93 PolarHBondContact OG1-N 3.46Å; T90-N93 PolarHBondContact OG1-ND2 3.06Å; T90-N93 VanDerWaalsContact OG1-ND2 3.09Å; T90-N93 PolarHBondContact OG1-OD1 3.36Å; T90-V94 WeakPolarHBondContact O-CB 3.47Å; T90-V94 PolarHBondContact O-N 2.86Å
91E83.3Confident86.8Confident145 Ų14549.6 Ų49.668%0.67828%0.283SS*.THydrogen-bonded Turntrans-56.2-36.2177.8-68.5178.3-166.900112.9L120E91-L120 HydrophobicContact CG-CD1 3.84Å; E91-L120 HydrophobicContact CG-CD2 3.94Å
92G83.9Confident86.7Confident73 Ų7351 Ų5175%0.75329%0.293SS*.THydrogen-bonded Turntrans-75.1-26.3179.800000114.3T90T90-G92 PolarHBondContact O-N 2.92Å
93N87.5Confident86.7Confident25 Ų2554.8 Ų54.813%0.13431%0.311CS..THydrogen-bonded Turntrans-102.1-22.5-17576.417.4000114T88 T90 Q95 Q96 L97T88-N93 PolarHBondContact O-ND2 3.35Å; T90-N93 PolarHBondContact N-ND2 2.63Å; T90-N93 PolarHBondContact N-OD1 3.2Å; T90-N93 PolarHBondContact O-N 3.25Å; T90-N93 VanDerWaalsContact O-N 3.13Å; T90-N93 PolarHBondContact O-OD1 3.42Å; T90-N93 PolarHBondContact OG1-N 3.46Å; T90-N93 PolarHBondContact OG1-ND2 3.06Å; T90-N93 VanDerWaalsContact OG1-ND2 3.09Å; T90-N93 PolarHBondContact OG1-OD1 3.36Å; N93-Q95 VanDerWaalsContact C-N 3.32Å; N93-Q95 PolarHBondContact O-N 2.8Å; N93-Q96 PolarHBondContact O-N 3.36Å; N93-L97 WeakPolarHBondContact O-CB 3.29Å; N93-L97 PolarHBondContact O-N 3.47Å
94V87.4Confident86.7Confident2 Ų254.3 Ų54.31%0.01231%0.309CS..Hα-helixtrans-60.8-37.6-165.866.70000113.3I89 T90 L98 C113 F116 I117I89-V94 HydrophobicContact CG2-CB 3.85Å; I89-V94 HydrophobicContact CG2-CG2 3.78Å; T90-V94 WeakPolarHBondContact O-CB 3.47Å; T90-V94 PolarHBondContact O-N 2.86Å; V94-L98 WeakPolarHBondContact O-CB 3.22Å; V94-L98 PolarHBondContact O-N 2.98Å; V94-C113 HydrophobicContact CG2-CB 4.14Å; V94-F116 HydrophobicContact CB-CD1 4.09Å; V94-F116 HydrophobicContact CB-CE1 4.34Å; V94-F116 HydrophobicContact CG1-CD1 4.43Å; V94-F116 HydrophobicContact CG1-CE1 4.49Å; V94-F116 HydrophobicContact CG2-CD1 3.91Å; V94-I117 HydrophobicContact CG1-CG1 4.41Å; V94-I117 HydrophobicContact CG2-CD1 4.03Å; V94-I117 HydrophobicContact CG2-CG1 3.7Å
95Q86.9Confident86.8Confident85 Ų8555.6 Ų55.640%0.39732%0.319SS..Hα-helixtrans-66.2-52.3-179.8-70-178.5-10.500111.5N93 L97 L98 L99 Y132N93-Q95 VanDerWaalsContact C-N 3.32Å; N93-Q95 PolarHBondContact O-N 2.8Å; Q95-L97 VanDerWaalsContact C-N 3.33Å; Q95-L97 PolarHBondContact O-N 3.42Å; Q95-L98 PolarHBondContact O-N 3.25Å; Q95-L99 WeakPolarHBondContact O-CG 3.46Å; Q95-L99 PolarHBondContact O-N 2.71Å; Q95-Y132 WeakPolarHBondContact CA-OH 3.31Å; Q95-Y132 HydrophobicContact CB-CE2 4.38Å; Q95-Y132 HydrophobicContact CG-CE2 4.42Å; Q95-Y132 PolarHBondContact O-OH 3.1Å
96Q87Confident87Confident106 Ų10649.4 Ų49.450%0.49529%0.287SS..Hα-helixtrans-66.2-37.1178.5-67.9-174-13.500112V74 N93 L99 T100V74-Q96 HydrophobicContact CG2-CB 3.96Å; N93-Q96 PolarHBondContact O-N 3.36Å; Q96-L99 PolarHBondContact O-N 3.12Å; Q96-T100 WeakPolarHBondContact O-CB 3.42Å; Q96-T100 PolarHBondContact O-N 2.96Å; Q96-T100 PolarHBondContact O-OG1 3.29Å
97L88.8Confident87.1Confident0 Ų049.9 Ų49.90%029%0.29CS..Hα-helixtrans-63.5-45.4175.5-178.362.7000111.4V74 I78 L87 I89 N93 Q95 T100 A101 V109V74-L97 HydrophobicContact CG1-CB 4.27Å; V74-L97 HydrophobicContact CG1-CD1 3.83Å; I78-L97 HydrophobicContact CD1-CD1 4.24Å; I78-L97 HydrophobicContact CG1-CD1 3.85Å; L87-L97 HydrophobicContact CD1-CD1 4.48Å; L87-L97 HydrophobicContact CD1-CD2 4.09Å; L87-L97 HydrophobicContact CD2-CD2 4.29Å; L87-L97 HydrophobicContact CG-CD2 4.4Å; I89-L97 HydrophobicContact CG1-CD2 4.16Å; N93-L97 WeakPolarHBondContact O-CB 3.29Å; N93-L97 PolarHBondContact O-N 3.47Å; Q95-L97 VanDerWaalsContact C-N 3.33Å; Q95-L97 PolarHBondContact O-N 3.42Å; L97-T100 PolarHBondContact O-N 2.86Å; L97-A101 WeakPolarHBondContact O-CB 3.15Å; L97-A101 PolarHBondContact O-N 3.32Å; L97-V109 HydrophobicContact CD1-CG1 4.17Å; L97-V109 HydrophobicContact CG-CG1 4.26Å
98L87.5Confident87Confident0 Ų054.4 Ų54.40%031%0.31CS..Hα-helixtrans-62.7-43176.8178.660.4000111.9V94 Q95 N102 V110 C113 I117 Y132V94-L98 WeakPolarHBondContact O-CB 3.22Å; V94-L98 PolarHBondContact O-N 2.98Å; Q95-L98 PolarHBondContact O-N 3.25Å; L98-N102 VanDerWaalsContact O-CB 3.27Å; L98-N102 WeakPolarHBondContact O-CB 3.41Å; L98-N102 PolarHBondContact O-N 3.31Å; L98-V110 HydrophobicContact CD1-CB 4.31Å; L98-V110 HydrophobicContact CD1-CG1 3.87Å; L98-V110 HydrophobicContact CD1-CG2 4.32Å; L98-C113 HydrophobicContact CB-CB 4.08Å; L98-C113 HydrophobicContact CD1-CB 3.93Å; L98-C113 HydrophobicContact CG-CB 4.48Å; L98-I117 HydrophobicContact CD2-CD1 3.59Å; L98-Y132 HydrophobicContact CD2-CE1 4.25Å
99L87.7Confident87.1Confident61 Ų6150.3 Ų50.332%0.31929%0.285SS..Hα-helixtrans-60.7-46.9176-74.4165.8000111.8Q95 Q96 N102 L103 Y132 V136 C137Q95-L99 WeakPolarHBondContact O-CG 3.46Å; Q95-L99 PolarHBondContact O-N 2.71Å; Q96-L99 PolarHBondContact O-N 3.12Å; L99-N102 PolarHBondContact O-N 3.34Å; L99-L103 WeakPolarHBondContact O-CB 3.36Å; L99-L103 PolarHBondContact O-N 2.93Å; L99-Y132 VanDerWaalsContact CD1-OH 3.29Å; L99-Y132 WeakPolarHBondContact CD1-OH 3.45Å; L99-Y132 VanDerWaalsContact CG-OH 3.22Å; L99-Y132 WeakPolarHBondContact CG-OH 3.34Å; L99-V136 HydrophobicContact CD1-CG1 4.03Å; L99-V136 HydrophobicContact CD2-CG1 3.78Å; L99-V136 WeakPolarHBondContact CD2-O 3.24Å; L99-V136 HydrophobicContact CG-CG1 4.5Å; L99-C137 HydrophobicContact CD2-CB 3.65Å; L99-C137 HydrophobicContact CG-CB 4.46Å
100T87.5Confident87Confident12 Ų1249.3 Ų49.37%0.07428%0.28CS..Hα-helixtrans-67.8-44.2-178.6-54.80000111.2I70 V74 I78 Q96 L97 N102 L103 L104I70-T100 HydrophobicContact CB-CG2 4.34Å; I70-T100 HydrophobicContact CD1-CG2 3.84Å; I70-T100 HydrophobicContact CG1-CG2 4.01Å; I70-T100 HydrophobicContact CG2-CG2 3.39Å; V74-T100 HydrophobicContact CG1-CG2 3.96Å; V74-T100 WeakPolarHBondContact CG1-OG1 3.5Å; I78-T100 HydrophobicContact CD1-CG2 3.44Å; I78-T100 VanDerWaalsContact CD1-CG2 3.44Å; Q96-T100 WeakPolarHBondContact O-CB 3.42Å; Q96-T100 PolarHBondContact O-N 2.96Å; Q96-T100 PolarHBondContact O-OG1 3.29Å; L97-T100 PolarHBondContact O-N 2.86Å; T100-N102 VanDerWaalsContact C-N 3.3Å; T100-N102 PolarHBondContact O-N 2.94Å; T100-L103 WeakPolarHBondContact O-CB 3.37Å; T100-L103 PolarHBondContact O-N 3.31Å; T100-L104 HydrophobicContact CG2-CD1 3.97Å; T100-L104 HydrophobicContact CG2-CG 4.43Å; T100-L104 WeakPolarHBondContact O-CB 3.33Å; T100-L104 WeakPolarHBondContact O-CG 3.23Å; T100-L104 PolarHBondContact O-N 3.14Å
101A88.5Confident87Confident0 Ų052.1 Ų52.10%029%0.289CS..Hα-helixtrans-61.9-39.5177.300000111.5L97 L104 C105 A106 V109 V110L97-A101 WeakPolarHBondContact O-CB 3.15Å; L97-A101 PolarHBondContact O-N 3.32Å; A101-L104 CarbonylContact O-C 3.56Å; A101-L104 PolarHBondContact O-N 2.86Å; A101-C105 PolarHBondContact O-N 3.42Å; A101-A106 HydrophobicContact CB-CB 4.29Å; A101-A106 PolarHBondContact O-N 2.93Å; A101-V109 HydrophobicContact CB-CB 3.95Å; A101-V109 HydrophobicContact CB-CG1 3.58Å; A101-V110 HydrophobicContact CB-CG2 3.76Å
102N86.5Confident87.2Confident66 Ų6646.9 Ų46.935%0.35327%0.27SS..Hα-helixtrans-66.3-43.8175.3-17057.9000111.8L98 L99 T100 L104 C105 V110 Q139L98-N102 VanDerWaalsContact O-CB 3.27Å; L98-N102 WeakPolarHBondContact O-CB 3.41Å; L98-N102 PolarHBondContact O-N 3.31Å; L99-N102 PolarHBondContact O-N 3.34Å; T100-N102 VanDerWaalsContact C-N 3.3Å; T100-N102 PolarHBondContact O-N 2.94Å; N102-L104 VanDerWaalsContact C-N 3.29Å; N102-L104 PolarHBondContact O-N 2.66Å; N102-C105 PolarHBondContact O-N 3.06Å; N102-C105 VanDerWaalsContact O-N 3.11Å; N102-V110 HydrophobicContact CB-CG2 4.31Å; N102-Q139 PolarHBondContact OD1-NE2 3.44Å
103L87.4Confident87.4Confident93 Ų9343.4 Ų43.449%0.48723%0.234SC..Hα-helixtrans-58.9-40.9175.2177.865.6000112.2I70 L99 T100 C105I70-L103 HydrophobicContact CD1-CD2 3.99Å; I70-L103 HydrophobicContact CG1-CD2 4.09Å; L99-L103 WeakPolarHBondContact O-CB 3.36Å; L99-L103 PolarHBondContact O-N 2.93Å; T100-L103 WeakPolarHBondContact O-CB 3.37Å; T100-L103 PolarHBondContact O-N 3.31Å; L103-C105 VanDerWaalsContact C-N 3.28Å
104L87.1Confident87.4Confident0 Ų042.8 Ų42.80%023%0.232CC..THydrogen-bonded Turntrans-84.51.3179.4-62177.7000113.2T47 Y49 F50 I70 M75 I78 T100 A101 N102 A106T47-L104 VanDerWaalsContact CB-O 3.23Å; T47-L104 WeakPolarHBondContact CB-O 2.95Å; T47-L104 PolarHBondContact OG1-O 2.65Å; Y49-L104 WeakPolarHBondContact CB-O 3.23Å; Y49-L104 HydrophobicContact CD1-CD2 3.47Å; Y49-L104 VanDerWaalsContact CD1-CD2 3.47Å; Y49-L104 HydrophobicContact CE1-CD2 3.67Å; Y49-L104 HydrophobicContact CG-CD2 4.1Å; F50-L104 HydrophobicContact CE2-CD1 4.12Å; F50-L104 HydrophobicContact CE2-CD2 4.12Å; F50-L104 HydrophobicContact CZ-CD1 4.31Å; F50-L104 HydrophobicContact CZ-CD2 3.89Å; I70-L104 HydrophobicContact CD1-CD1 4.48Å; I70-L104 HydrophobicContact CD1-CD2 4.26Å; I70-L104 HydrophobicContact CD1-CG 4.45Å; M75-L104 HydrophobicContact CE-CD1 4.15Å; M75-L104 HydrophobicContact SD-CD1 4.49Å; I78-L104 HydrophobicContact CD1-CD1 3.81Å; I78-L104 HydrophobicContact CG2-CD1 4.17Å; T100-L104 HydrophobicContact CG2-CD1 3.97Å; T100-L104 HydrophobicContact CG2-CG 4.43Å; T100-L104 WeakPolarHBondContact O-CB 3.33Å; T100-L104 WeakPolarHBondContact O-CG 3.23Å; T100-L104 PolarHBondContact O-N 3.14Å; A101-L104 CarbonylContact O-C 3.56Å; A101-L104 PolarHBondContact O-N 2.86Å; N102-L104 VanDerWaalsContact C-N 3.29Å; N102-L104 PolarHBondContact O-N 2.66Å; L104-A106 VanDerWaalsContact C-N 3.26Å; L104-A106 PolarHBondContact O-N 3.48Å
105C87.1Confident87.4Confident67 Ų6746.4 Ų46.445%0.45325%0.25SS..THydrogen-bonded Turntrans5633.9-176-580000114.1P48 A101 N102 L103 S107P48-C105 WeakPolarHBondContact CD-O 3.16Å; P48-C105 HydrophobicContact CG-CB 4.37Å; A101-C105 PolarHBondContact O-N 3.42Å; N102-C105 PolarHBondContact O-N 3.06Å; N102-C105 VanDerWaalsContact O-N 3.11Å; L103-C105 VanDerWaalsContact C-N 3.28Å; C105-S107 PolarHBondContact O-N 3.34Å; C105-S107 VanDerWaalsContact O-N 3.14Å
106A87.3Confident87.5Confident3 Ų345.1 Ų45.13%0.02524%0.244CC..  trans-8381.6177.200000110.8T47 A101 L104 E108 V109 V110T47-A106 HydrophobicContact CG2-CB 3.9Å; A101-A106 HydrophobicContact CB-CB 4.29Å; A101-A106 PolarHBondContact O-N 2.93Å; L104-A106 VanDerWaalsContact C-N 3.26Å; L104-A106 PolarHBondContact O-N 3.48Å; A106-E108 PolarHBondContact O-N 3.35Å; A106-V109 HydrophobicContact CB-CB 4.06Å; A106-V109 HydrophobicContact CB-CG2 4.1Å; A106-V109 PolarHBondContact O-N 3.45Å; A106-V110 WeakPolarHBondContact O-CG2 3.35Å; A106-V110 PolarHBondContact O-N 2.95Å
107S86.5Confident87.5Confident87 Ų8740.2 Ų40.261%0.60822%0.221SC*.Hα-helixtrans-58.1-39.9-171.153.50000114.7C105 V110 H111C105-S107 PolarHBondContact O-N 3.34Å; C105-S107 VanDerWaalsContact O-N 3.14Å; S107-V110 PolarHBondContact O-N 3.44Å; S107-H111 WeakPolarHBondContact O-CB 3.47Å; S107-H111 PolarHBondContact O-N 3.31Å
108E86.4Confident87.5Confident131 Ų13142.9 Ų42.961%0.61223%0.233SC*.Hα-helixtrans-65.1-42.8178.4-67.5-81.4140.800111.7Y81 A106 H111 A112Y81-E108 WeakPolarHBondContact OH-CB 3.31Å; A106-E108 PolarHBondContact O-N 3.35Å; E108-H111 PolarHBondContact O-N 2.94Å; E108-A112 PolarHBondContact O-N 3.11Å
109V87.8Confident87.5Confident1 Ų149.2 Ų49.21%0.00627%0.267CS..Hα-helixtrans-67.4-42.1177.4179.60000110.4Y81 L87 L97 A101 A106 H111 A112 C113Y81-V109 HydrophobicContact CD1-CG2 3.44Å; Y81-V109 VanDerWaalsContact CD1-CG2 3.44Å; Y81-V109 HydrophobicContact CE1-CG2 3.48Å; Y81-V109 VanDerWaalsContact CE1-CG2 3.48Å; Y81-V109 HydrophobicContact CG-CG2 4.01Å; L87-V109 HydrophobicContact CD2-CB 4.45Å; L87-V109 HydrophobicContact CD2-CG1 3.82Å; L87-V109 HydrophobicContact CD2-CG2 4.46Å; L97-V109 HydrophobicContact CD1-CG1 4.17Å; L97-V109 HydrophobicContact CG-CG1 4.26Å; A101-V109 HydrophobicContact CB-CB 3.95Å; A101-V109 HydrophobicContact CB-CG1 3.58Å; A106-V109 HydrophobicContact CB-CB 4.06Å; A106-V109 HydrophobicContact CB-CG2 4.1Å; A106-V109 PolarHBondContact O-N 3.45Å; V109-H111 VanDerWaalsContact C-N 3.31Å; V109-H111 PolarHBondContact O-N 3.31Å; V109-A112 PolarHBondContact O-N 3.43Å; V109-C113 WeakPolarHBondContact O-CB 3.5Å; V109-C113 PolarHBondContact O-N 3.29Å; V109-C113 PolarHBondContact O-SG 3.3Å
110V87Confident87.5Confident15 Ų1548.2 Ų48.29%0.09126%0.262CS..Hα-helixtrans-57.9-46.4173.2170.30000110.4L98 A101 N102 A106 S107 C113 C114L98-V110 HydrophobicContact CD1-CB 4.31Å; L98-V110 HydrophobicContact CD1-CG1 3.87Å; L98-V110 HydrophobicContact CD1-CG2 4.32Å; A101-V110 HydrophobicContact CB-CG2 3.76Å; N102-V110 HydrophobicContact CB-CG2 4.31Å; A106-V110 WeakPolarHBondContact O-CG2 3.35Å; A106-V110 PolarHBondContact O-N 2.95Å; S107-V110 PolarHBondContact O-N 3.44Å; V110-C113 PolarHBondContact O-N 2.91Å; V110-C114 PolarHBondContact O-N 3.41Å; V110-C114 PolarHBondContact O-SG 3.19Å
111H87.1Confident87.7Confident122 Ų12248.8 Ų48.857%0.56526%0.264SS*.Hα-helixtrans-62.2-45.2179-172.259.1000112.3S107 E108 V109 C113 C114 I115S107-H111 WeakPolarHBondContact O-CB 3.47Å; S107-H111 PolarHBondContact O-N 3.31Å; E108-H111 PolarHBondContact O-N 2.94Å; V109-H111 VanDerWaalsContact C-N 3.31Å; V109-H111 PolarHBondContact O-N 3.31Å; H111-C113 PolarHBondContact O-N 3.41Å; H111-C114 PolarHBondContact O-N 2.85Å; H111-I115 WeakPolarHBondContact O-CG1 3.29Å; H111-I115 PolarHBondContact O-N 3.02Å
112A87.6Confident87.8Confident35 Ų3551.7 Ų51.729%0.28928%0.28SS..Hα-helixtrans-61.6-42.1176.500000112.3L87 I89 E108 V109 I115 F116L87-A112 HydrophobicContact CD2-CB 4.26Å; I89-A112 HydrophobicContact CD1-CB 3.91Å; E108-A112 PolarHBondContact O-N 3.11Å; V109-A112 PolarHBondContact O-N 3.43Å; A112-I115 PolarHBondContact O-N 3.39Å; A112-F116 PolarHBondContact O-N 3.43Å
113C88.9Confident88Confident0 Ų050.1 Ų50.10%027%0.273CS..Hα-helixtrans-62.8-41.3173.9-720000112.1V94 L98 V109 V110 H111 F116 I117V94-C113 HydrophobicContact CG2-CB 4.14Å; L98-C113 HydrophobicContact CB-CB 4.08Å; L98-C113 HydrophobicContact CD1-CB 3.93Å; L98-C113 HydrophobicContact CG-CB 4.48Å; V109-C113 WeakPolarHBondContact O-CB 3.5Å; V109-C113 PolarHBondContact O-N 3.29Å; V109-C113 PolarHBondContact O-SG 3.3Å; V110-C113 PolarHBondContact O-N 2.91Å; H111-C113 PolarHBondContact O-N 3.41Å; C113-F116 PolarHBondContact O-N 3.26Å; C113-I117 VanDerWaalsContact O-CG1 3.29Å; C113-I117 WeakPolarHBondContact O-CG1 3.38Å; C113-I117 PolarHBondContact O-N 3.41Å
114C87.3Confident88.1Confident13 Ų1350.7 Ų50.79%0.08828%0.277CS..Hα-helixtrans-62.1-44.4177-71.50000111.9V110 H111 F116 I117 E118 L142V110-C114 PolarHBondContact O-N 3.41Å; V110-C114 PolarHBondContact O-SG 3.19Å; H111-C114 PolarHBondContact O-N 2.85Å; C114-F116 VanDerWaalsContact C-N 3.34Å; C114-F116 PolarHBondContact O-N 2.93Å; C114-I117 PolarHBondContact O-N 3Å; C114-E118 VanDerWaalsContact O-CG 3.3Å; C114-E118 WeakPolarHBondContact O-CG 3.43Å; C114-E118 PolarHBondContact O-N 3.47Å; C114-L142 HydrophobicContact CB-CD2 4.47Å
115I87.4Confident88.2Confident77 Ų7752.2 Ų52.240%0.39529%0.285SS..Hα-helixtrans-59.5-46.4175.8-67.5166.7000110.4H111 A112 I117 E118 D119H111-I115 WeakPolarHBondContact O-CG1 3.29Å; H111-I115 PolarHBondContact O-N 3.02Å; A112-I115 PolarHBondContact O-N 3.39Å; I115-I117 VanDerWaalsContact C-N 3.34Å; I115-I117 PolarHBondContact O-N 3.3Å; I115-E118 WeakPolarHBondContact O-CB 3.4Å; I115-E118 PolarHBondContact O-N 3.33Å; I115-D119 PolarHBondContact O-N 3.17Å
116F89.4Confident88.5Confident58 Ų5849 Ų4925%0.25426%0.263SS..Hα-helixtrans-63.9-38.7179.2-173.1-98.7000112.6I89 V94 A112 C113 C114 E118 D119 L120I89-F116 HydrophobicContact CB-CD1 4.43Å; I89-F116 HydrophobicContact CB-CD2 4.38Å; I89-F116 HydrophobicContact CB-CG 4.23Å; I89-F116 HydrophobicContact CD1-CB 4.37Å; I89-F116 HydrophobicContact CG2-CB 4Å; I89-F116 HydrophobicContact CG2-CD1 3.44Å; I89-F116 VanDerWaalsContact CG2-CD1 3.44Å; I89-F116 HydrophobicContact CG2-CD2 4.21Å; I89-F116 HydrophobicContact CG2-CE1 3.84Å; I89-F116 HydrophobicContact CG2-CG 3.61Å; I89-F116 HydrophobicContact CG2-CZ 4.42Å; V94-F116 HydrophobicContact CB-CD1 4.09Å; V94-F116 HydrophobicContact CB-CE1 4.34Å; V94-F116 HydrophobicContact CG1-CD1 4.43Å; V94-F116 HydrophobicContact CG1-CE1 4.49Å; V94-F116 HydrophobicContact CG2-CD1 3.91Å; A112-F116 PolarHBondContact O-N 3.43Å; C113-F116 PolarHBondContact O-N 3.26Å; C114-F116 VanDerWaalsContact C-N 3.34Å; C114-F116 PolarHBondContact O-N 2.93Å; F116-E118 VanDerWaalsContact C-N 3.33Å; F116-D119 PolarHBondContact O-N 3.25Å; F116-L120 HydrophobicContact CD1-CD1 3.73Å; F116-L120 HydrophobicContact CD1-CG 4.44Å; F116-L120 HydrophobicContact CE1-CD1 3.38Å; F116-L120 HydrophobicContact CE1-CG 4.21Å; F116-L120 HydrophobicContact CZ-CD1 4.1Å; F116-L120 WeakPolarHBondContact O-CG 3.27Å; F116-L120 PolarHBondContact O-N 2.96Å
117I87.7Confident88.6Confident3 Ų349 Ų492%0.01526%0.263CS..Hα-helixtrans-64.1-41174.6-68.5167000110.4V94 L98 C113 C114 I115 D119 L120 I121 L142V94-I117 HydrophobicContact CG1-CG1 4.41Å; V94-I117 HydrophobicContact CG2-CD1 4.03Å; V94-I117 HydrophobicContact CG2-CG1 3.7Å; L98-I117 HydrophobicContact CD2-CD1 3.59Å; C113-I117 VanDerWaalsContact O-CG1 3.29Å; C113-I117 WeakPolarHBondContact O-CG1 3.38Å; C113-I117 PolarHBondContact O-N 3.41Å; C114-I117 PolarHBondContact O-N 3Å; I115-I117 VanDerWaalsContact C-N 3.34Å; I115-I117 PolarHBondContact O-N 3.3Å; I117-D119 PolarHBondContact O-N 3.3Å; I117-L120 PolarHBondContact O-N 2.84Å; I117-I121 WeakPolarHBondContact O-CG1 3.41Å; I117-I121 PolarHBondContact O-N 3.26Å; I117-L142 HydrophobicContact CB-CD2 4.35Å; I117-L142 HydrophobicContact CD1-CD2 4.01Å; I117-L142 HydrophobicContact CG2-CD1 4.25Å; I117-L142 HydrophobicContact CG2-CD2 4.13Å
118E87.5Confident88.7Confident57 Ų5746.3 Ų46.327%0.26625%0.249SC..Hα-helixtrans-55.9-40.4178.5-74.1171.1-151.100112.3C114 I115 F116 L120 I121 L142 K145C114-E118 VanDerWaalsContact O-CG 3.3Å; C114-E118 WeakPolarHBondContact O-CG 3.43Å; C114-E118 PolarHBondContact O-N 3.47Å; I115-E118 WeakPolarHBondContact O-CB 3.4Å; I115-E118 PolarHBondContact O-N 3.33Å; F116-E118 VanDerWaalsContact C-N 3.33Å; E118-L120 VanDerWaalsContact C-N 3.28Å; E118-L120 PolarHBondContact O-N 2.85Å; E118-I121 PolarHBondContact O-N 3.02Å; E118-L142 HydrophobicContact CG-CD1 3.73Å; E118-K145 VanDerWaalsContact CD-CD 3.44Å; E118-K145 HydrophobicContact CG-CD 4.25Å; E118-K145 WeakPolarHBondContact OE1-CD 3.49Å; E118-K145 WeakPolarHBondContact OE1-CE 3.37Å; E118-K145 IonicContact OE1-NZ 3.21Å; E118-K145 PolarHBondContact OE1-NZ 3.49Å; E118-K145 IonicContact OE2-NZ 3.81Å; E118-K145 PolarHBondContact OE2-NZ 3.17Å
119D87.6Confident88.7Confident132 Ų13241.4 Ų41.471%0.70623%0.226SC*.Hα-helixtrans-71.3-21178.1-68.1-25.7000113.5I115 F116 I117I115-D119 PolarHBondContact O-N 3.17Å; F116-D119 PolarHBondContact O-N 3.25Å; I117-D119 PolarHBondContact O-N 3.3Å
120L88.5Confident88.8Confident41 Ų4142.2 Ų42.222%0.21523%0.229CC..Hα-helixtrans-91.2-9.6179.3-68.3177000113.9E91 F116 I117 E118 N122 N125E91-L120 HydrophobicContact CG-CD1 3.84Å; E91-L120 HydrophobicContact CG-CD2 3.94Å; F116-L120 HydrophobicContact CD1-CD1 3.73Å; F116-L120 HydrophobicContact CD1-CG 4.44Å; F116-L120 HydrophobicContact CE1-CD1 3.38Å; F116-L120 HydrophobicContact CE1-CG 4.21Å; F116-L120 HydrophobicContact CZ-CD1 4.1Å; F116-L120 WeakPolarHBondContact O-CG 3.27Å; F116-L120 PolarHBondContact O-N 2.96Å; I117-L120 PolarHBondContact O-N 2.84Å; E118-L120 VanDerWaalsContact C-N 3.28Å; E118-L120 PolarHBondContact O-N 2.85Å; L120-N122 PolarHBondContact O-N 3.06Å; L120-N122 PolarHBondContact O-ND2 3.3Å; L120-N125 PolarHBondContact O-ND2 3.36Å
121I90.5Very high88.8Confident23 Ų2346.1 Ų46.112%0.11824%0.242CC..  trans-66.2125.9-178-63.4162.9000109.8I117 E118 C126 I146 Y149I117-I121 WeakPolarHBondContact O-CG1 3.41Å; I117-I121 PolarHBondContact O-N 3.26Å; E118-I121 PolarHBondContact O-N 3.02Å; I121-C126 HydrophobicContact CG2-CB 3.88Å; I121-I146 HydrophobicContact CD1-CG1 3.57Å; I121-I146 HydrophobicContact CG1-CG1 4.38Å; I121-Y149 HydrophobicContact CG2-CD1 3.57Å; I121-Y149 HydrophobicContact CG2-CD2 3.93Å; I121-Y149 HydrophobicContact CG2-CE1 3.68Å; I121-Y149 HydrophobicContact CG2-CE2 4.01Å; I121-Y149 HydrophobicContact CG2-CG 3.71Å
122N91.3Very high88.7Confident61 Ų6141.6 Ų41.633%0.32622%0.22SC..  trans-135.8169.8173.263.254.1000109.9L120 D124 N125 C126 Y149L120-N122 PolarHBondContact O-N 3.06Å; L120-N122 PolarHBondContact O-ND2 3.3Å; N122-D124 PolarHBondContact O-N 3.16Å; N122-D124 VanDerWaalsContact O-N 3.16Å; N122-D124 WeakPolarHBondContact OD1-CA 3.34Å; N122-D124 WeakPolarHBondContact OD1-CB 3.43Å; N122-D124 PolarHBondContact OD1-N 3.49Å; N122-N125 PolarHBondContact N-OD1 3Å; N122-N125 PolarHBondContact ND2-ND2 3Å; N122-N125 VanDerWaalsContact ND2-ND2 3.17Å; N122-N125 PolarHBondContact O-N 3.28Å; N122-N125 PolarHBondContact O-OD1 3.15Å; N122-N125 VanDerWaalsContact O-OD1 3.06Å; N122-N125 VanDerWaalsContact OD1-CG 3.31Å; N122-N125 PolarHBondContact OD1-N 3.41Å; N122-N125 PolarHBondContact OD1-OD1 3.35Å; N122-C126 VanDerWaalsContact O-CB 3.28Å; N122-C126 WeakPolarHBondContact O-CB 3.5Å; N122-C126 PolarHBondContact O-N 2.96Å; N122-C126 VanDerWaalsContact O-N 3.15Å; N122-Y149 WeakPolarHBondContact CA-OH 3.39Å
123P90.8Very high88.6Confident34 Ų3440.1 Ų40.122%0.22121%0.208CC..THydrogen-bonded Turntrans-58.6-28.8-178.7-26.536.9000114C126 Y149 V157 C160P123-C126 PolarHBondContact O-SG 2.9Å; P123-C126 VanDerWaalsContact O-SG 3.35Å; P123-Y149 WeakPolarHBondContact CD-OH 3.49Å; P123-V157 HydrophobicContact CB-CG2 4.13Å; P123-C160 PolarHBondContact O-SG 2.99Å
124D89.6Confident88.2Confident105 Ų10543.5 Ų43.556%0.56123%0.229SC*.THydrogen-bonded Turntrans-82.6-23.2-174.9-60.9-45.8000114.1N122 C160 E162N122-D124 PolarHBondContact O-N 3.16Å; N122-D124 VanDerWaalsContact O-N 3.16Å; N122-D124 WeakPolarHBondContact OD1-CA 3.34Å; N122-D124 WeakPolarHBondContact OD1-CB 3.43Å; N122-D124 PolarHBondContact OD1-N 3.49Å; D124-C160 PolarHBondContact OD1-SG 2.71Å; D124-E162 WeakPolarHBondContact O-CG 3.45Å; D124-E162 VanDerWaalsContact O-OE2 3.12Å
125N90.1Very high87.8Confident32 Ų3247.9 Ų47.917%0.17126%0.255CS..THydrogen-bonded Turntrans-114.6-6.9-176.772.97000114.4L120 N122 I127 G128 M129 E162L120-N125 PolarHBondContact O-ND2 3.36Å; N122-N125 PolarHBondContact N-OD1 3Å; N122-N125 PolarHBondContact ND2-ND2 3Å; N122-N125 VanDerWaalsContact ND2-ND2 3.17Å; N122-N125 PolarHBondContact O-N 3.28Å; N122-N125 PolarHBondContact O-OD1 3.15Å; N122-N125 VanDerWaalsContact O-OD1 3.06Å; N122-N125 VanDerWaalsContact OD1-CG 3.31Å; N122-N125 PolarHBondContact OD1-N 3.41Å; N122-N125 PolarHBondContact OD1-OD1 3.35Å; N125-I127 VanDerWaalsContact C-N 3.3Å; N125-I127 PolarHBondContact O-N 3.35Å; N125-G128 PolarHBondContact O-N 2.98Å; N125-M129 WeakPolarHBondContact O-CB 3.38Å; N125-M129 WeakPolarHBondContact O-CG 3.41Å; N125-M129 PolarHBondContact O-N 3.33Å; N125-E162 VanDerWaalsContact C-OE2 3.24Å; N125-E162 WeakPolarHBondContact CA-OE2 3.42Å
126C91.8Very high87.4Confident0 Ų047.7 Ų47.70%026%0.257CS..Hα-helixtrans-64-34.4-169.862.30000112.8I121 N122 P123 W130 I146 Y149 I150 V157I121-C126 HydrophobicContact CG2-CB 3.88Å; N122-C126 VanDerWaalsContact O-CB 3.28Å; N122-C126 WeakPolarHBondContact O-CB 3.5Å; N122-C126 PolarHBondContact O-N 2.96Å; N122-C126 VanDerWaalsContact O-N 3.15Å; P123-C126 PolarHBondContact O-SG 2.9Å; P123-C126 VanDerWaalsContact O-SG 3.35Å; C126-W130 WeakPolarHBondContact O-CB 3.39Å; C126-W130 PolarHBondContact O-N 2.91Å; C126-I146 HydrophobicContact CB-CG2 4.47Å; C126-I146 VanDerWaalsContact O-CG2 3.24Å; C126-I146 WeakPolarHBondContact O-CG2 3.46Å; C126-Y149 HydrophobicContact CB-CD1 4.04Å; C126-Y149 HydrophobicContact CB-CE1 4.27Å; C126-I150 HydrophobicContact CB-CG1 4.19Å; C126-V157 VanDerWaalsContact SG-CG2 3.54Å
127I90.3Very high86.9Confident1 Ų144.9 Ų44.91%0.00525%0.245CC..Hα-helixtrans-76.2-41.7-178.6-67.4172.8000110.1N125 M129 W130 R131 I150 V157 E162 F163 L166N125-I127 VanDerWaalsContact C-N 3.3Å; N125-I127 PolarHBondContact O-N 3.35Å; I127-M129 VanDerWaalsContact C-N 3.35Å; I127-W130 PolarHBondContact O-N 3.08Å; I127-R131 WeakPolarHBondContact O-CG 3.28Å; I127-R131 PolarHBondContact O-N 3.26Å; I127-I150 HydrophobicContact CG1-CD1 4.29Å; I127-V157 HydrophobicContact CD1-CG1 3.63Å; I127-V157 HydrophobicContact CG1-CG1 4.09Å; I127-E162 HydrophobicContact CB-CB 4.02Å; I127-E162 HydrophobicContact CD1-CB 4.4Å; I127-E162 HydrophobicContact CG2-CB 4.47Å; I127-E162 PolarHBondContact N-OE2 3.34Å; I127-F163 VanDerWaalsContact CD1-CA 3.43Å; I127-F163 HydrophobicContact CD1-CB 4.04Å; I127-F163 HydrophobicContact CD1-CD2 4.2Å; I127-L166 HydrophobicContact CD1-CD1 4.01Å; I127-L166 HydrophobicContact CD1-CD2 4.39Å; I127-L166 HydrophobicContact CD1-CG 4.15Å; I127-L166 HydrophobicContact CG2-CD2 3.66Å; I127-L166 HydrophobicContact CG2-CG 4.17Å
128G88.1Confident86.6Confident31 Ų3148.7 Ų48.732%0.3227%0.27SS..Hα-helixtrans-57.5-47.9172.800000111.5N125 R131 Y132 E162N125-G128 PolarHBondContact O-N 2.98Å; G128-R131 PolarHBondContact O-N 2.79Å; G128-Y132 WeakPolarHBondContact O-CB 3.26Å; G128-Y132 PolarHBondContact O-N 3.49Å; G128-E162 PolarHBondContact N-OE2 3.35Å
129M87.6Confident86.4Confident28 Ų2847.4 Ų47.414%0.13826%0.264CS..Hα-helixtrans-66.3-38.9176.5-68.9-61.3-177.300112.4N125 I127 Y132 T133 I146N125-M129 WeakPolarHBondContact O-CB 3.38Å; N125-M129 WeakPolarHBondContact O-CG 3.41Å; N125-M129 PolarHBondContact O-N 3.33Å; I127-M129 VanDerWaalsContact C-N 3.35Å; M129-Y132 WeakPolarHBondContact O-CB 3.21Å; M129-Y132 PolarHBondContact O-N 3.38Å; M129-T133 WeakPolarHBondContact O-CG2 3.43Å; M129-T133 PolarHBondContact O-N 3.43Å; M129-I146 HydrophobicContact CB-CD1 4.08Å
130W89.3Confident86.2Confident19 Ų1946 Ų467%0.07226%0.262CS..Hα-helixtrans-60.1-49.4175.3-17657.7000111.3C126 I127 Y132 T133 T134 H143 I146 Y147 I150 L166 E170C126-W130 WeakPolarHBondContact O-CB 3.39Å; C126-W130 PolarHBondContact O-N 2.91Å; I127-W130 PolarHBondContact O-N 3.08Å; W130-Y132 VanDerWaalsContact C-N 3.31Å; W130-Y132 PolarHBondContact O-N 2.99Å; W130-T133 PolarHBondContact O-N 2.99Å; W130-T133 PolarHBondContact O-OG1 3.21Å; W130-T134 PolarHBondContact O-N 3.32Å; W130-T134 PolarHBondContact O-OG1 3.26Å; W130-T134 VanDerWaalsContact O-OG1 3.11Å; W130-H143 AromaticContact CD1-CE1 3.49Å; W130-H143 VanDerWaalsContact CD1-CE1 3.49Å; W130-H143 AromaticContact CD1-ND1 3.55Å; W130-H143 AromaticContact CE2-CE1 3.54Å; W130-H143 AromaticContact CE2-NE2 3.92Å; W130-H143 AromaticContact NE1-CD2 3.87Å; W130-H143 AromaticContact NE1-CE1 2.9Å; W130-H143 PolarHBondContact NE1-CE1 3.28Å; W130-H143 AromaticContact NE1-ND1 3.45Å; W130-H143 PolarHBondContact NE1-ND1 2.87Å; W130-H143 AromaticContact NE1-NE2 3.15Å; W130-H143 PolarHBondContact NE1-NE2 2.95Å; W130-H143 VanDerWaalsContact NE1-NE2 3.15Å; W130-I146 HydrophobicContact CB-CB 4.47Å; W130-I146 HydrophobicContact CB-CG2 3.65Å; W130-I146 HydrophobicContact CG-CG2 4.31Å; W130-Y147 AromaticContact CZ2-CD2 3.99Å; W130-Y147 HydrophobicContact CZ2-CD2 3.99Å; W130-Y147 HydrophobicContact CZ2-CE2 4.42Å; W130-Y147 AromaticContact NE1-CD2 3.96Å; W130-I150 HydrophobicContact CB-CD1 3.91Å; W130-I150 HydrophobicContact CD2-CD1 4.12Å; W130-I150 HydrophobicContact CE3-CD1 4.41Å; W130-I150 HydrophobicContact CG-CD1 3.92Å; W130-L166 HydrophobicContact CE3-CD2 4.43Å; W130-L166 HydrophobicContact CZ3-CD2 4.02Å; W130-E170 HydrophobicContact CH2-CB 4Å; W130-E170 HydrophobicContact CH2-CG 3.88Å; W130-E170 HydrophobicContact CZ3-CB 3.97Å; W130-E170 HydrophobicContact CZ3-CG 3.9Å
131R86.6Confident86Confident96 Ų9649 Ų4936%0.36228%0.282SS..Hα-helixtrans-62.5-39.6176.3-70.5-179.371.7169.35.7111.8I127 G128 T133 T134 T135 L165I127-R131 WeakPolarHBondContact O-CG 3.28Å; I127-R131 PolarHBondContact O-N 3.26Å; G128-R131 PolarHBondContact O-N 2.79Å; R131-T133 VanDerWaalsContact C-N 3.29Å; R131-T133 PolarHBondContact O-N 3.28Å; R131-T134 WeakPolarHBondContact O-CB 3.12Å; R131-T134 PolarHBondContact O-N 3.34Å; R131-T135 PolarHBondContact O-N 3.34Å; R131-T135 PolarHBondContact O-OG1 3.16Å; R131-L165 PolarHBondContact NH1-O 3.35Å
132Y85.4Confident85.9Confident27 Ų2748.1 Ų48.111%0.10628%0.277CS..Hα-helixtrans-56.9-43.4175.6-179.3-93.9000112.2Q95 L98 L99 G128 M129 W130 T134 V136 C137Q95-Y132 WeakPolarHBondContact CA-OH 3.31Å; Q95-Y132 HydrophobicContact CB-CE2 4.38Å; Q95-Y132 HydrophobicContact CG-CE2 4.42Å; Q95-Y132 PolarHBondContact O-OH 3.1Å; L98-Y132 HydrophobicContact CD2-CE1 4.25Å; L99-Y132 VanDerWaalsContact CD1-OH 3.29Å; L99-Y132 WeakPolarHBondContact CD1-OH 3.45Å; L99-Y132 VanDerWaalsContact CG-OH 3.22Å; L99-Y132 WeakPolarHBondContact CG-OH 3.34Å; G128-Y132 WeakPolarHBondContact O-CB 3.26Å; G128-Y132 PolarHBondContact O-N 3.49Å; M129-Y132 WeakPolarHBondContact O-CB 3.21Å; M129-Y132 PolarHBondContact O-N 3.38Å; W130-Y132 VanDerWaalsContact C-N 3.31Å; W130-Y132 PolarHBondContact O-N 2.99Å; Y132-T134 PolarHBondContact O-N 3.27Å; Y132-V136 HydrophobicContact CD2-CB 3.72Å; Y132-V136 HydrophobicContact CD2-CG1 4.23Å; Y132-V136 HydrophobicContact CD2-CG2 3.72Å; Y132-V136 HydrophobicContact CE2-CB 3.74Å; Y132-V136 HydrophobicContact CE2-CG1 3.77Å; Y132-V136 HydrophobicContact CE2-CG2 4.12Å; Y132-V136 HydrophobicContact CG-CB 4.34Å; Y132-V136 HydrophobicContact CG-CG2 4.44Å; Y132-V136 PolarHBondContact O-N 2.92Å; Y132-C137 HydrophobicContact CE1-CB 3.96Å; Y132-C137 PolarHBondContact O-N 3.02Å
133T85.1Confident85.8Confident5 Ų547.6 Ų47.63%0.03127%0.273CS..Hα-helixtrans-70.3-14176.362.90000114.4M129 W130 R131 C137 P138 Q139 L142 H143 I146M129-T133 WeakPolarHBondContact O-CG2 3.43Å; M129-T133 PolarHBondContact O-N 3.43Å; W130-T133 PolarHBondContact O-N 2.99Å; W130-T133 PolarHBondContact O-OG1 3.21Å; R131-T133 VanDerWaalsContact C-N 3.29Å; R131-T133 PolarHBondContact O-N 3.28Å; T133-C137 CarbonylContact C-O 3.55Å; T133-C137 WeakPolarHBondContact CA-O 3.3Å; T133-P138 VanDerWaalsContact O-CA 3.28Å; T133-P138 WeakPolarHBondContact O-CA 3.24Å; T133-Q139 PolarHBondContact O-N 2.91Å; T133-L142 HydrophobicContact CG2-CB 4.39Å; T133-L142 HydrophobicContact CG2-CD2 3.71Å; T133-L142 HydrophobicContact CG2-CG 3.9Å; T133-H143 WeakPolarHBondContact OG1-CB 3.45Å; T133-H143 PolarHBondContact OG1-ND1 2.77Å; T133-I146 HydrophobicContact CG2-CD1 3.75Å
134T81.3Confident85.6Confident71 Ų7152.4 Ų52.444%0.43629%0.29SS..Hα-helixtrans-94.1-44.1176.8-51.20000111.6W130 R131 Y132 H143W130-T134 PolarHBondContact O-N 3.32Å; W130-T134 PolarHBondContact O-OG1 3.26Å; W130-T134 VanDerWaalsContact O-OG1 3.11Å; R131-T134 WeakPolarHBondContact O-CB 3.12Å; R131-T134 PolarHBondContact O-N 3.34Å; Y132-T134 PolarHBondContact O-N 3.27Å; T134-H143 PolarHBondContact OG1-CE1 3.21Å; T134-H143 PolarHBondContact OG1-ND1 3.05Å; T134-H143 VanDerWaalsContact OG1-ND1 3.12Å
135T79Confident85.5Confident104 Ų10451.7 Ų51.764%0.63828%0.283SS*.Hα-helixtrans-103.2-32.2-166.660.80000113.9R131R131-T135 PolarHBondContact O-N 3.34Å; R131-T135 PolarHBondContact O-OG1 3.16Å
136V78.7Confident85.5Confident73 Ų7350.2 Ų50.244%0.44227%0.274SS..THydrogen-bonded Turntrans-107.2-50.3-170.8-161.80000111.5L99 Y132L99-V136 HydrophobicContact CD1-CG1 4.03Å; L99-V136 HydrophobicContact CD2-CG1 3.78Å; L99-V136 WeakPolarHBondContact CD2-O 3.24Å; L99-V136 HydrophobicContact CG-CG1 4.5Å; Y132-V136 HydrophobicContact CD2-CB 3.72Å; Y132-V136 HydrophobicContact CD2-CG1 4.23Å; Y132-V136 HydrophobicContact CD2-CG2 3.72Å; Y132-V136 HydrophobicContact CE2-CB 3.74Å; Y132-V136 HydrophobicContact CE2-CG1 3.77Å; Y132-V136 HydrophobicContact CE2-CG2 4.12Å; Y132-V136 HydrophobicContact CG-CB 4.34Å; Y132-V136 HydrophobicContact CG-CG2 4.44Å; Y132-V136 PolarHBondContact O-N 2.92Å
137C78.9Confident85.5Confident0 Ų052 Ų520%028%0.282CS..SBendtrans-131.291.6177.6-165.20000110.8L99 Y132 T133 Q139L99-C137 HydrophobicContact CD2-CB 3.65Å; L99-C137 HydrophobicContact CG-CB 4.46Å; Y132-C137 HydrophobicContact CE1-CB 3.96Å; Y132-C137 PolarHBondContact O-N 3.02Å; T133-C137 CarbonylContact C-O 3.55Å; T133-C137 WeakPolarHBondContact CA-O 3.3Å; C137-Q139 PolarHBondContact O-N 2.69Å
138P80.3Confident85.4Confident83 Ų8354.5 Ų54.554%0.53930%0.299SS..  trans-57.7104.6178.9-26.836.6000112.4T133T133-P138 VanDerWaalsContact O-CA 3.28Å; T133-P138 WeakPolarHBondContact O-CA 3.24Å
139Q82.9Confident85.6Confident30 Ų3055.7 Ų55.714%0.1429%0.294CS..  trans-129.492.1176.4-68.8-59-36.700109.2N102 T133 C137 V141 L142 H143N102-Q139 PolarHBondContact OD1-NE2 3.44Å; T133-Q139 PolarHBondContact O-N 2.91Å; C137-Q139 PolarHBondContact O-N 2.69Å; Q139-V141 VanDerWaalsContact C-N 3.29Å; Q139-V141 PolarHBondContact O-N 2.67Å; Q139-L142 HydrophobicContact CB-CB 4.02Å; Q139-L142 PolarHBondContact O-N 2.95Å; Q139-H143 VanDerWaalsContact O-CB 3.24Å; Q139-H143 WeakPolarHBondContact O-CB 3.38Å; Q139-H143 PolarHBondContact O-N 3.04Å
140P83.9Confident85.8Confident103 Ų10354.5 Ų54.567%0.66929%0.288SS*.Hα-helixtrans-58.2-37.7-171.4-27.234.7000114.2F144P140-F144 WeakPolarHBondContact O-CB 3.42Å; P140-F144 PolarHBondContact O-N 3.48Å
141V85.3Confident85.9Confident104 Ų10454 Ų5463%0.6329%0.286SS*.Hα-helixtrans-68.5-48.1-178.9-179.90000111Q139 F144 K145Q139-V141 VanDerWaalsContact C-N 3.29Å; Q139-V141 PolarHBondContact O-N 2.67Å; V141-F144 PolarHBondContact O-N 2.86Å; V141-K145 WeakPolarHBondContact O-CG 3.48Å; V141-K145 PolarHBondContact O-N 3.04Å; V141-K145 VanDerWaalsContact O-N 3.13Å
142L87.5Confident86.1Confident3 Ų355.6 Ų55.62%0.01630%0.296CS..Hα-helixtrans-66.1-42.8178.3-178.961.5000110.7C114 I117 E118 T133 Q139 F144 K145 I146C114-L142 HydrophobicContact CB-CD2 4.47Å; I117-L142 HydrophobicContact CB-CD2 4.35Å; I117-L142 HydrophobicContact CD1-CD2 4.01Å; I117-L142 HydrophobicContact CG2-CD1 4.25Å; I117-L142 HydrophobicContact CG2-CD2 4.13Å; E118-L142 HydrophobicContact CG-CD1 3.73Å; T133-L142 HydrophobicContact CG2-CB 4.39Å; T133-L142 HydrophobicContact CG2-CD2 3.71Å; T133-L142 HydrophobicContact CG2-CG 3.9Å; Q139-L142 HydrophobicContact CB-CB 4.02Å; Q139-L142 PolarHBondContact O-N 2.95Å; L142-F144 PolarHBondContact O-N 3.3Å; L142-K145 PolarHBondContact O-N 3.12Å; L142-I146 HydrophobicContact CD1-CD1 4.17Å; L142-I146 HydrophobicContact CD1-CG1 4.3Å; L142-I146 HydrophobicContact CG-CD1 3.85Å; L142-I146 HydrophobicContact CG-CG1 4.42Å; L142-I146 VanDerWaalsContact O-CG1 3.31Å; L142-I146 WeakPolarHBondContact O-CG1 3.28Å; L142-I146 PolarHBondContact O-N 3.22Å
143H88.9Confident86.4Confident51 Ų5157.3 Ų57.324%0.23631%0.305CS..Hα-helixtrans-55-49.3175.9178.791.3000111.9W130 T133 T134 Q139 K145 I146 Y147W130-H143 AromaticContact CD1-CE1 3.49Å; W130-H143 VanDerWaalsContact CD1-CE1 3.49Å; W130-H143 AromaticContact CD1-ND1 3.55Å; W130-H143 AromaticContact CE2-CE1 3.54Å; W130-H143 AromaticContact CE2-NE2 3.92Å; W130-H143 AromaticContact NE1-CD2 3.87Å; W130-H143 AromaticContact NE1-CE1 2.9Å; W130-H143 PolarHBondContact NE1-CE1 3.28Å; W130-H143 AromaticContact NE1-ND1 3.45Å; W130-H143 PolarHBondContact NE1-ND1 2.87Å; W130-H143 AromaticContact NE1-NE2 3.15Å; W130-H143 PolarHBondContact NE1-NE2 2.95Å; W130-H143 VanDerWaalsContact NE1-NE2 3.15Å; T133-H143 WeakPolarHBondContact OG1-CB 3.45Å; T133-H143 PolarHBondContact OG1-ND1 2.77Å; T134-H143 PolarHBondContact OG1-CE1 3.21Å; T134-H143 PolarHBondContact OG1-ND1 3.05Å; T134-H143 VanDerWaalsContact OG1-ND1 3.12Å; Q139-H143 VanDerWaalsContact O-CB 3.24Å; Q139-H143 WeakPolarHBondContact O-CB 3.38Å; Q139-H143 PolarHBondContact O-N 3.04Å; H143-K145 PolarHBondContact O-N 3Å; H143-I146 PolarHBondContact O-N 3.27Å; H143-Y147 WeakPolarHBondContact O-CB 3.44Å; H143-Y147 PolarHBondContact O-N 3.19Å
144F87.3Confident86.8Confident134 Ų13457.1 Ų57.159%0.58830%0.304SS*.Hα-helixtrans-62.5-41.8178.2-179.5-100.6000112P140 V141 L142 Y147 C148P140-F144 WeakPolarHBondContact O-CB 3.42Å; P140-F144 PolarHBondContact O-N 3.48Å; V141-F144 PolarHBondContact O-N 2.86Å; L142-F144 PolarHBondContact O-N 3.3Å; F144-Y147 WeakPolarHBondContact O-CB 3.35Å; F144-Y147 PolarHBondContact O-N 3.38Å; F144-C148 VanDerWaalsContact CE1-SG 3.55Å; F144-C148 VanDerWaalsContact CZ-SG 3.58Å; F144-C148 PolarHBondContact O-N 2.95Å; F144-C148 PolarHBondContact O-SG 3.11Å; F144-C148 VanDerWaalsContact O-SG 3.32Å
145K86.8Confident87.4Confident91 Ų9156.7 Ų56.740%0.39630%0.297SS..Hα-helixtrans-62.7-43.9176.8-74.6-179.1175.2-174.20112.5E118 V141 L142 H143 Y147 C148 Y149E118-K145 VanDerWaalsContact CD-CD 3.44Å; E118-K145 HydrophobicContact CG-CD 4.25Å; E118-K145 WeakPolarHBondContact OE1-CD 3.49Å; E118-K145 WeakPolarHBondContact OE1-CE 3.37Å; E118-K145 IonicContact OE1-NZ 3.21Å; E118-K145 PolarHBondContact OE1-NZ 3.49Å; E118-K145 IonicContact OE2-NZ 3.81Å; E118-K145 PolarHBondContact OE2-NZ 3.17Å; V141-K145 WeakPolarHBondContact O-CG 3.48Å; V141-K145 PolarHBondContact O-N 3.04Å; V141-K145 VanDerWaalsContact O-N 3.13Å; L142-K145 PolarHBondContact O-N 3.12Å; H143-K145 PolarHBondContact O-N 3Å; K145-Y147 VanDerWaalsContact C-N 3.34Å; K145-C148 PolarHBondContact O-N 2.88Å; K145-Y149 PolarHBondContact O-N 3.36Å
146I91.4Very high88Confident0 Ų053.9 Ų53.90%028%0.281CS..Hα-helixtrans-64.4-41.7175.9-60.7162.1000110.2I121 C126 M129 W130 T133 L142 H143 C148 Y149 I150I121-I146 HydrophobicContact CD1-CG1 3.57Å; I121-I146 HydrophobicContact CG1-CG1 4.38Å; C126-I146 HydrophobicContact CB-CG2 4.47Å; C126-I146 VanDerWaalsContact O-CG2 3.24Å; C126-I146 WeakPolarHBondContact O-CG2 3.46Å; M129-I146 HydrophobicContact CB-CD1 4.08Å; W130-I146 HydrophobicContact CB-CB 4.47Å; W130-I146 HydrophobicContact CB-CG2 3.65Å; W130-I146 HydrophobicContact CG-CG2 4.31Å; T133-I146 HydrophobicContact CG2-CD1 3.75Å; L142-I146 HydrophobicContact CD1-CD1 4.17Å; L142-I146 HydrophobicContact CD1-CG1 4.3Å; L142-I146 HydrophobicContact CG-CD1 3.85Å; L142-I146 HydrophobicContact CG-CG1 4.42Å; L142-I146 VanDerWaalsContact O-CG1 3.31Å; L142-I146 WeakPolarHBondContact O-CG1 3.28Å; L142-I146 PolarHBondContact O-N 3.22Å; H143-I146 PolarHBondContact O-N 3.27Å; I146-C148 PolarHBondContact O-N 2.76Å; I146-Y149 WeakPolarHBondContact O-CA 3.41Å; I146-Y149 VanDerWaalsContact O-CB 3.3Å; I146-Y149 WeakPolarHBondContact O-CB 3.46Å; I146-Y149 PolarHBondContact O-N 2.86Å; I146-Y149 VanDerWaalsContact O-N 3.08Å; I146-I150 HydrophobicContact CG2-CD1 4.23Å; I146-I150 WeakPolarHBondContact O-CG1 3.24Å; I146-I150 PolarHBondContact O-N 2.69Å
147Y91Very high88.7Confident39 Ų3950.4 Ų50.415%0.15326%0.26CS..Hα-helixtrans-59.4-45.9175.4-176.7-108.8000111.8W130 H143 F144 K145 Y149 I150 L151 I174 T177W130-Y147 AromaticContact CZ2-CD2 3.99Å; W130-Y147 HydrophobicContact CZ2-CD2 3.99Å; W130-Y147 HydrophobicContact CZ2-CE2 4.42Å; W130-Y147 AromaticContact NE1-CD2 3.96Å; H143-Y147 WeakPolarHBondContact O-CB 3.44Å; H143-Y147 PolarHBondContact O-N 3.19Å; F144-Y147 WeakPolarHBondContact O-CB 3.35Å; F144-Y147 PolarHBondContact O-N 3.38Å; K145-Y147 VanDerWaalsContact C-N 3.34Å; Y147-Y149 VanDerWaalsContact C-N 3.27Å; Y147-Y149 PolarHBondContact O-N 3.13Å; Y147-I150 PolarHBondContact O-N 3.24Å; Y147-L151 HydrophobicContact CD1-CD1 3.97Å; Y147-L151 HydrophobicContact CD1-CG 4.44Å; Y147-L151 HydrophobicContact CE1-CD1 3.51Å; Y147-L151 HydrophobicContact CE1-CG 4.12Å; Y147-L151 WeakPolarHBondContact O-CG 3.21Å; Y147-L151 PolarHBondContact O-N 3.12Å; Y147-I174 HydrophobicContact CE2-CG1 3.93Å; Y147-T177 PolarHBondContact OH-OG1 3.19Å; Y147-T177 VanDerWaalsContact OH-OG1 3.13Å
148C88.7Confident89.3Confident53 Ų5350.6 Ų50.636%0.35826%0.262SS..Hα-helixtrans-60-36.4173.1-69.70000112.7F144 K145 I146 L151 K152F144-C148 VanDerWaalsContact CE1-SG 3.55Å; F144-C148 VanDerWaalsContact CZ-SG 3.58Å; F144-C148 PolarHBondContact O-N 2.95Å; F144-C148 PolarHBondContact O-SG 3.11Å; F144-C148 VanDerWaalsContact O-SG 3.32Å; K145-C148 PolarHBondContact O-N 2.88Å; I146-C148 PolarHBondContact O-N 2.76Å; C148-L151 PolarHBondContact O-N 3.31Å; C148-K152 WeakPolarHBondContact O-CB 3.23Å; C148-K152 PolarHBondContact O-N 3.05Å
149Y91Very high89.9Confident56 Ų5652.6 Ų52.622%0.2227%0.267CS..Hα-helixtrans-63.3-47.1174.6-174.7-82.6000111.6I121 N122 P123 C126 K145 I146 Y147 L151 K152 H153I121-Y149 HydrophobicContact CG2-CD1 3.57Å; I121-Y149 HydrophobicContact CG2-CD2 3.93Å; I121-Y149 HydrophobicContact CG2-CE1 3.68Å; I121-Y149 HydrophobicContact CG2-CE2 4.01Å; I121-Y149 HydrophobicContact CG2-CG 3.71Å; N122-Y149 WeakPolarHBondContact CA-OH 3.39Å; P123-Y149 WeakPolarHBondContact CD-OH 3.49Å; C126-Y149 HydrophobicContact CB-CD1 4.04Å; C126-Y149 HydrophobicContact CB-CE1 4.27Å; K145-Y149 PolarHBondContact O-N 3.36Å; I146-Y149 WeakPolarHBondContact O-CA 3.41Å; I146-Y149 VanDerWaalsContact O-CB 3.3Å; I146-Y149 WeakPolarHBondContact O-CB 3.46Å; I146-Y149 PolarHBondContact O-N 2.86Å; I146-Y149 VanDerWaalsContact O-N 3.08Å; Y147-Y149 VanDerWaalsContact C-N 3.27Å; Y147-Y149 PolarHBondContact O-N 3.13Å; Y149-L151 VanDerWaalsContact C-N 3.31Å; Y149-L151 PolarHBondContact O-N 3.07Å; Y149-K152 PolarHBondContact O-N 2.7Å; Y149-K152 VanDerWaalsContact O-N 3.15Å; Y149-H153 HydrophobicContact CD1-CB 4.45Å; Y149-H153 AromaticContact CD2-CD2 3.74Å; Y149-H153 HydrophobicContact CE1-CB 4.1Å; Y149-H153 AromaticContact CE1-CD2 3.92Å; Y149-H153 AromaticContact CE2-CD2 3.56Å; Y149-H153 AromaticContact CE2-NE2 3.9Å; Y149-H153 AromaticContact CZ-CD2 3.65Å; Y149-H153 PolarHBondContact O-N 3.29Å
150I93.1Very high90.3Very high2 Ų251.9 Ų51.91%0.0127%0.265CS..Hα-helixtrans-57.2-46.1176.3-67.4166.5000110.3C126 I127 W130 I146 Y147 K152 H153 F154 I174C126-I150 HydrophobicContact CB-CG1 4.19Å; I127-I150 HydrophobicContact CG1-CD1 4.29Å; W130-I150 HydrophobicContact CB-CD1 3.91Å; W130-I150 HydrophobicContact CD2-CD1 4.12Å; W130-I150 HydrophobicContact CE3-CD1 4.41Å; W130-I150 HydrophobicContact CG-CD1 3.92Å; I146-I150 HydrophobicContact CG2-CD1 4.23Å; I146-I150 WeakPolarHBondContact O-CG1 3.24Å; I146-I150 PolarHBondContact O-N 2.69Å; Y147-I150 PolarHBondContact O-N 3.24Å; I150-K152 VanDerWaalsContact C-N 3.31Å; I150-K152 PolarHBondContact O-N 2.82Å; I150-H153 PolarHBondContact O-N 2.89Å; I150-F154 WeakPolarHBondContact O-CA 3.3Å; I150-F154 PolarHBondContact O-N 2.99Å; I150-I174 HydrophobicContact CG2-CD1 4.23Å
151L91.6Very high90.6Very high8 Ų852.6 Ų52.64%0.04226%0.264CS..Hα-helixtrans-63.2-36.8178.7-67.5-179.9000112.9Y147 C148 Y149 I174 T177 N179 L180 I181Y147-L151 HydrophobicContact CD1-CD1 3.97Å; Y147-L151 HydrophobicContact CD1-CG 4.44Å; Y147-L151 HydrophobicContact CE1-CD1 3.51Å; Y147-L151 HydrophobicContact CE1-CG 4.12Å; Y147-L151 WeakPolarHBondContact O-CG 3.21Å; Y147-L151 PolarHBondContact O-N 3.12Å; C148-L151 PolarHBondContact O-N 3.31Å; Y149-L151 VanDerWaalsContact C-N 3.31Å; Y149-L151 PolarHBondContact O-N 3.07Å; L151-I174 HydrophobicContact CD2-CG2 4.16Å; L151-T177 HydrophobicContact CD1-CG2 4.13Å; L151-N179 HydrophobicContact CD1-CB 3.99Å; L151-L180 HydrophobicContact CD2-CB 4.21Å; L151-L180 HydrophobicContact CD2-CD1 3.64Å; L151-I181 PolarHBondContact O-N 2.9Å
152K89.8Confident90.9Very high130 Ų13050 Ų5057%0.56525%0.245SC*.Hα-helixtrans-75.8-35.5-179-174.7179.5178.2-1740113.3C148 Y149 I150 I181C148-K152 WeakPolarHBondContact O-CB 3.23Å; C148-K152 PolarHBondContact O-N 3.05Å; Y149-K152 PolarHBondContact O-N 2.7Å; Y149-K152 VanDerWaalsContact O-N 3.15Å; I150-K152 VanDerWaalsContact C-N 3.31Å; I150-K152 PolarHBondContact O-N 2.82Å; K152-I181 HydrophobicContact CB-CD1 4.12Å; K152-I181 HydrophobicContact CG-CD1 4.03Å
153H91.7Very high91.1Very high63 Ų6350 Ų5029%0.29224%0.244SC..SBendtrans-109.723.5-174.7-66.9-75.6000112.8Y149 I150 E155 S156 V157Y149-H153 HydrophobicContact CD1-CB 4.45Å; Y149-H153 AromaticContact CD2-CD2 3.74Å; Y149-H153 HydrophobicContact CE1-CB 4.1Å; Y149-H153 AromaticContact CE1-CD2 3.92Å; Y149-H153 AromaticContact CE2-CD2 3.56Å; Y149-H153 AromaticContact CE2-NE2 3.9Å; Y149-H153 AromaticContact CZ-CD2 3.65Å; Y149-H153 PolarHBondContact O-N 3.29Å; I150-H153 PolarHBondContact O-N 2.89Å; H153-E155 VanDerWaalsContact C-N 3.27Å; H153-E155 PolarHBondContact O-N 3.34Å; H153-E155 VanDerWaalsContact O-N 3.17Å; H153-S156 PolarHBondContact O-N 3.22Å; H153-S156 PolarHBondContact O-OG 3.33Å; H153-V157 HydrophobicContact CB-CG2 4.36Å; H153-V157 WeakPolarHBondContact O-CG2 3.43Å; H153-V157 PolarHBondContact O-N 3.42Å
154F94.1Very high91.2Very high1 Ų148.4 Ų48.40%0.00424%0.237CC..Hα-helixtrans-54.3-39.7-173.8-177.1-97000113.4I150 S156 V157 A158 F163 I174 L180 V182 V188 A191I150-F154 WeakPolarHBondContact O-CA 3.3Å; I150-F154 PolarHBondContact O-N 2.99Å; F154-S156 VanDerWaalsContact C-N 3.28Å; F154-S156 PolarHBondContact O-N 2.97Å; F154-V157 PolarHBondContact O-N 3.3Å; F154-A158 HydrophobicContact CE1-CB 4.25Å; F154-A158 HydrophobicContact CZ-CB 4.4Å; F154-A158 VanDerWaalsContact O-CB 3.25Å; F154-A158 WeakPolarHBondContact O-CB 3.24Å; F154-A158 PolarHBondContact O-N 2.88Å; F154-F163 AromaticContact CE2-CE2 3.95Å; F154-F163 HydrophobicContact CE2-CE2 3.95Å; F154-F163 HydrophobicContact CE2-CZ 4.44Å; F154-F163 HydrophobicContact CZ-CE2 4.32Å; F154-F163 HydrophobicContact CZ-CZ 4.39Å; F154-I174 HydrophobicContact CD2-CG2 3.97Å; F154-I174 HydrophobicContact CE2-CG2 3.84Å; F154-L180 HydrophobicContact CB-CD1 3.7Å; F154-L180 HydrophobicContact CD1-CD1 4.35Å; F154-L180 HydrophobicContact CD1-CD2 4.41Å; F154-L180 HydrophobicContact CD2-CD1 3.66Å; F154-L180 HydrophobicContact CE2-CD1 4.34Å; F154-L180 HydrophobicContact CG-CD1 3.64Å; F154-L180 HydrophobicContact CG-CD2 4.47Å; F154-L180 HydrophobicContact CG-CG 4.39Å; F154-V182 HydrophobicContact CB-CG1 4.4Å; F154-V182 HydrophobicContact CD1-CG1 3.55Å; F154-V182 HydrophobicContact CE1-CG1 4.25Å; F154-V182 HydrophobicContact CG-CG1 4.33Å; F154-V188 HydrophobicContact CE1-CG2 4.16Å; F154-A191 HydrophobicContact CE1-CB 4.15Å; F154-A191 HydrophobicContact CZ-CB 4.01Å
155E92.8Very high91.3Very high63 Ų6346.9 Ų46.929%0.29424%0.235SC..Hα-helixtrans-60.7-35.8-179.6-56.9-167.6148.700112.7H153 V182 K183 T187H153-E155 VanDerWaalsContact C-N 3.27Å; H153-E155 PolarHBondContact O-N 3.34Å; H153-E155 VanDerWaalsContact O-N 3.17Å; E155-V182 HydrophobicContact CG-CG1 4.34Å; E155-K183 WeakPolarHBondContact OE1-CB 3.41Å; E155-K183 PolarHBondContact OE1-N 3.15Å; E155-T187 HydrophobicContact CB-CG2 4.36Å; E155-T187 HydrophobicContact CG-CG2 4.07Å
156S93Very high91.5Very high44 Ų4442.6 Ų42.631%0.30822%0.217SC..Hα-helixtrans-79.2-43.7173.142.70000112.2H153 F154 A158 L159 C160H153-S156 PolarHBondContact O-N 3.22Å; H153-S156 PolarHBondContact O-OG 3.33Å; F154-S156 VanDerWaalsContact C-N 3.28Å; F154-S156 PolarHBondContact O-N 2.97Å; S156-A158 VanDerWaalsContact C-N 3.3Å; S156-A158 PolarHBondContact O-N 3.5Å; S156-L159 WeakPolarHBondContact O-CB 3.35Å; S156-L159 PolarHBondContact O-N 3.47Å; S156-L159 VanDerWaalsContact O-N 3.12Å; S156-C160 PolarHBondContact O-SG 2.94Å; S156-C160 VanDerWaalsContact O-SG 3.34Å
157V92.9Very high91.5Very high1 Ų145.2 Ų45.21%0.00624%0.235CC..Hα-helixtrans-63.2-37.7-176.6174.20000111.3P123 C126 I127 H153 F154 L159 C160 F163P123-V157 HydrophobicContact CB-CG2 4.13Å; C126-V157 VanDerWaalsContact SG-CG2 3.54Å; I127-V157 HydrophobicContact CD1-CG1 3.63Å; I127-V157 HydrophobicContact CG1-CG1 4.09Å; H153-V157 HydrophobicContact CB-CG2 4.36Å; H153-V157 WeakPolarHBondContact O-CG2 3.43Å; H153-V157 PolarHBondContact O-N 3.42Å; F154-V157 PolarHBondContact O-N 3.3Å; V157-L159 PolarHBondContact O-N 3.02Å; V157-L159 VanDerWaalsContact O-N 3.13Å; V157-C160 WeakPolarHBondContact O-CB 3.22Å; V157-C160 PolarHBondContact O-N 2.84Å; V157-F163 HydrophobicContact CG1-CD2 4.46Å; V157-F163 WeakPolarHBondContact O-CB 3.18Å
158A91.6Very high91.5Very high4 Ų444.4 Ų44.43%0.03324%0.236CC..THydrogen-bonded Turntrans-62-19.9178.300000114F154 S156 F163 A191F154-A158 HydrophobicContact CE1-CB 4.25Å; F154-A158 HydrophobicContact CZ-CB 4.4Å; F154-A158 VanDerWaalsContact O-CB 3.25Å; F154-A158 WeakPolarHBondContact O-CB 3.24Å; F154-A158 PolarHBondContact O-N 2.88Å; S156-A158 VanDerWaalsContact C-N 3.3Å; S156-A158 PolarHBondContact O-N 3.5Å; A158-F163 HydrophobicContact CB-CE2 4.44Å; A158-F163 HydrophobicContact CB-CZ 4.44Å; A158-A191 HydrophobicContact CB-CB 3.76Å
159L92.4Very high91.5Very high125 Ų12543.8 Ų43.865%0.65424%0.239SC*.THydrogen-bonded Turntrans-86-22.8177.2-61.4174.3000112.5S156 V157 R194S156-L159 WeakPolarHBondContact O-CB 3.35Å; S156-L159 PolarHBondContact O-N 3.47Å; S156-L159 VanDerWaalsContact O-N 3.12Å; V157-L159 PolarHBondContact O-N 3.02Å; V157-L159 VanDerWaalsContact O-N 3.13Å; L159-R194 PolarHBondContact O-NH2 3Å; L159-R194 VanDerWaalsContact O-NH2 3.1Å
160C92.3Very high91.6Very high14 Ų1443.1 Ų43.110%0.09524%0.238CC..SBendtrans-72.1158.4-176.5-570000112.1P123 D124 S156 V157 F163P123-C160 PolarHBondContact O-SG 2.99Å; D124-C160 PolarHBondContact OD1-SG 2.71Å; S156-C160 PolarHBondContact O-SG 2.94Å; S156-C160 VanDerWaalsContact O-SG 3.34Å; V157-C160 WeakPolarHBondContact O-CB 3.22Å; V157-C160 PolarHBondContact O-N 2.84Å; C160-F163 WeakPolarHBondContact O-CB 3.13Å; C160-F163 PolarHBondContact O-N 3.32Å
161D90Very high91.6Very high119 Ų11943 Ų4364%0.63624%0.237SC*.SBendtrans-76.2-30-179.2-70-23.6000112.5F163 L164 R194D161-F163 PolarHBondContact O-N 2.93Å; D161-F163 VanDerWaalsContact O-N 3.16Å; D161-L164 VanDerWaalsContact O-CB 3.31Å; D161-L164 WeakPolarHBondContact O-CB 3.28Å; D161-L164 PolarHBondContact O-N 2.95Å; D161-R194 IonicContact OD1-NH2 2.84Å; D161-R194 PolarHBondContact OD1-NH2 3.45Å
162E91Very high91.6Very high50 Ų5043.4 Ų43.423%0.23424%0.242CC..G310 helixtrans-60.3-25.9174.9-70.1-162.7159.800112.7D124 N125 I127 G128 L164 L165D124-E162 WeakPolarHBondContact O-CG 3.45Å; D124-E162 VanDerWaalsContact O-OE2 3.12Å; N125-E162 VanDerWaalsContact C-OE2 3.24Å; N125-E162 WeakPolarHBondContact CA-OE2 3.42Å; I127-E162 HydrophobicContact CB-CB 4.02Å; I127-E162 HydrophobicContact CD1-CB 4.4Å; I127-E162 HydrophobicContact CG2-CB 4.47Å; I127-E162 PolarHBondContact N-OE2 3.34Å; G128-E162 PolarHBondContact N-OE2 3.35Å; E162-L164 PolarHBondContact O-N 2.94Å; E162-L165 HydrophobicContact CB-CD1 4.47Å; E162-L165 HydrophobicContact CG-CD1 4.45Å; E162-L165 VanDerWaalsContact O-CB 3.26Å; E162-L165 WeakPolarHBondContact O-CB 3.43Å; E162-L165 PolarHBondContact O-N 3.01Å
163F92Very high91.6Very high2 Ų241.7 Ų41.71%0.00924%0.239CC..G310 helixtrans-59.5-32.9174.3-176.2-100.9000112.6I127 F154 V157 A158 C160 D161 L165 L166 L171 A191 W195I127-F163 VanDerWaalsContact CD1-CA 3.43Å; I127-F163 HydrophobicContact CD1-CB 4.04Å; I127-F163 HydrophobicContact CD1-CD2 4.2Å; F154-F163 AromaticContact CE2-CE2 3.95Å; F154-F163 HydrophobicContact CE2-CE2 3.95Å; F154-F163 HydrophobicContact CE2-CZ 4.44Å; F154-F163 HydrophobicContact CZ-CE2 4.32Å; F154-F163 HydrophobicContact CZ-CZ 4.39Å; V157-F163 HydrophobicContact CG1-CD2 4.46Å; V157-F163 WeakPolarHBondContact O-CB 3.18Å; A158-F163 HydrophobicContact CB-CE2 4.44Å; A158-F163 HydrophobicContact CB-CZ 4.44Å; C160-F163 WeakPolarHBondContact O-CB 3.13Å; C160-F163 PolarHBondContact O-N 3.32Å; D161-F163 PolarHBondContact O-N 2.93Å; D161-F163 VanDerWaalsContact O-N 3.16Å; F163-L165 PolarHBondContact O-N 3.4Å; F163-L166 HydrophobicContact CD2-CD1 3.65Å; F163-L166 HydrophobicContact CE2-CD1 3.83Å; F163-L166 HydrophobicContact CG-CD1 4.38Å; F163-L166 WeakPolarHBondContact O-CB 3.45Å; F163-L166 PolarHBondContact O-N 3.47Å; F163-L171 HydrophobicContact CE2-CD1 3.72Å; F163-L171 HydrophobicContact CZ-CD1 3.5Å; F163-A191 HydrophobicContact CE1-CB 4.1Å; F163-A191 HydrophobicContact CZ-CB 3.92Å; F163-W195 HydrophobicContact CE1-CB 4Å
164L90.8Very high91.6Very high17 Ų1738.7 Ų38.79%0.08923%0.225CC..G310 helixtrans-70.3-16.6178-56.1175.6000112.3D161 E162 R194 H198 R203D161-L164 VanDerWaalsContact O-CB 3.31Å; D161-L164 WeakPolarHBondContact O-CB 3.28Å; D161-L164 PolarHBondContact O-N 2.95Å; E162-L164 PolarHBondContact O-N 2.94Å; L164-R194 HydrophobicContact CD2-CG 4.13Å; L164-H198 HydrophobicContact CD1-CB 4.45Å; L164-H198 HydrophobicContact CD2-CB 4Å; L164-R203 PolarHBondContact O-NH1 3.14Å; L164-R203 PolarHBondContact O-NH2 3.48Å
165L90.4Very high91.6Very high102 Ų10238.7 Ų38.753%0.53423%0.225SC..G310 helixtrans-83.6-9179.3-54.6176.7000113.5R131 E162 F163R131-L165 PolarHBondContact NH1-O 3.35Å; E162-L165 HydrophobicContact CB-CD1 4.47Å; E162-L165 HydrophobicContact CG-CD1 4.45Å; E162-L165 VanDerWaalsContact O-CB 3.26Å; E162-L165 WeakPolarHBondContact O-CB 3.43Å; E162-L165 PolarHBondContact O-N 3.01Å; F163-L165 PolarHBondContact O-N 3.4Å
166L91.1Very high91.4Very high2 Ų240.4 Ų40.41%0.0123%0.233CC..  trans-65.5141.5177.1-68.4172.6000111.3I127 W130 F163 E170 L171 I174 W195I127-L166 HydrophobicContact CD1-CD1 4.01Å; I127-L166 HydrophobicContact CD1-CD2 4.39Å; I127-L166 HydrophobicContact CD1-CG 4.15Å; I127-L166 HydrophobicContact CG2-CD2 3.66Å; I127-L166 HydrophobicContact CG2-CG 4.17Å; W130-L166 HydrophobicContact CE3-CD2 4.43Å; W130-L166 HydrophobicContact CZ3-CD2 4.02Å; F163-L166 HydrophobicContact CD2-CD1 3.65Å; F163-L166 HydrophobicContact CE2-CD1 3.83Å; F163-L166 HydrophobicContact CG-CD1 4.38Å; F163-L166 WeakPolarHBondContact O-CB 3.45Å; F163-L166 PolarHBondContact O-N 3.47Å; L166-E170 HydrophobicContact CD2-CB 4.19Å; L166-L171 HydrophobicContact CD1-CD1 4.25Å; L166-I174 HydrophobicContact CD1-CD1 4.09Å; L166-W195 PolarHBondContact O-NE1 3.26Å
167S91.3Very high91.2Very high55 Ų5540 Ų4039%0.38523%0.228SC..  trans-73.8161.3167.567.70000111.5G169 E170 L171S167-G169 PolarHBondContact O-N 3.28Å; S167-E170 VanDerWaalsContact CB-OE2 3.3Å; S167-E170 WeakPolarHBondContact CB-OE2 3.26Å; S167-E170 PolarHBondContact N-OE2 3.46Å; S167-E170 PolarHBondContact O-N 3.13Å; S167-E170 VanDerWaalsContact OG-CG 3.23Å; S167-E170 WeakPolarHBondContact OG-CG 3.31Å; S167-E170 PolarHBondContact OG-N 3.16Å; S167-E170 PolarHBondContact OG-OE2 3.02Å; S167-L171 WeakPolarHBondContact O-CB 3.42Å; S167-L171 PolarHBondContact O-N 2.92Å
168A89.7Confident91Very high21 Ų2141.5 Ų41.517%0.17424%0.237CC..Hα-helixtrans-59.5-34.417700000112.6A172 W195 H206A168-A172 VanDerWaalsContact O-CB 3.31Å; A168-A172 WeakPolarHBondContact O-CB 3.43Å; A168-A172 PolarHBondContact O-N 3.05Å; A168-W195 HydrophobicContact CB-CH2 3.87Å; A168-W195 HydrophobicContact CB-CZ2 4.36Å; A168-H206 HydrophobicContact CB-CB 3.89Å
169G90.3Very high90.8Very high41 Ų4145.5 Ų45.542%0.42326%0.257SS..Hα-helixtrans-68.9-51.9177.700000112.1S167 L171 A172 D173S167-G169 PolarHBondContact O-N 3.28Å; G169-L171 VanDerWaalsContact C-N 3.27Å; G169-L171 PolarHBondContact O-N 2.91Å; G169-A172 WeakPolarHBondContact O-CB 3.42Å; G169-A172 PolarHBondContact O-N 3.2Å; G169-A172 VanDerWaalsContact O-N 3.08Å; G169-D173 PolarHBondContact O-N 3.42Å
170E91.3Very high90.8Very high41 Ų4139.5 Ų39.519%0.19223%0.226CC..Hα-helixtrans-58.4-41.2178.2-68.5161.6143.600111.6W130 L166 S167 D173 I174W130-E170 HydrophobicContact CH2-CB 4Å; W130-E170 HydrophobicContact CH2-CG 3.88Å; W130-E170 HydrophobicContact CZ3-CB 3.97Å; W130-E170 HydrophobicContact CZ3-CG 3.9Å; L166-E170 HydrophobicContact CD2-CB 4.19Å; S167-E170 VanDerWaalsContact CB-OE2 3.3Å; S167-E170 WeakPolarHBondContact CB-OE2 3.26Å; S167-E170 PolarHBondContact N-OE2 3.46Å; S167-E170 PolarHBondContact O-N 3.13Å; S167-E170 VanDerWaalsContact OG-CG 3.23Å; S167-E170 WeakPolarHBondContact OG-CG 3.31Å; S167-E170 PolarHBondContact OG-N 3.16Å; S167-E170 PolarHBondContact OG-OE2 3.02Å; E170-D173 PolarHBondContact O-N 3.47Å; E170-I174 WeakPolarHBondContact O-CD1 3.47Å; E170-I174 VanDerWaalsContact O-CG1 3.29Å; E170-I174 WeakPolarHBondContact O-CG1 3.3Å; E170-I174 PolarHBondContact O-N 3.41Å; E170-I174 VanDerWaalsContact O-N 3.17Å
171L93.1Very high90.6Very high0 Ų041.4 Ų41.40%024%0.235CC..Hα-helixtrans-67.1-39.5176.8-176.559.5000112.2F163 L166 S167 G169 I174 I175 W195 L210F163-L171 HydrophobicContact CE2-CD1 3.72Å; F163-L171 HydrophobicContact CZ-CD1 3.5Å; L166-L171 HydrophobicContact CD1-CD1 4.25Å; S167-L171 WeakPolarHBondContact O-CB 3.42Å; S167-L171 PolarHBondContact O-N 2.92Å; G169-L171 VanDerWaalsContact C-N 3.27Å; G169-L171 PolarHBondContact O-N 2.91Å; L171-I174 PolarHBondContact O-N 2.8Å; L171-I175 HydrophobicContact CD1-CD1 3.66Å; L171-I175 HydrophobicContact CD1-CG1 4.11Å; L171-I175 HydrophobicContact CD2-CD1 4.47Å; L171-I175 HydrophobicContact CG-CD1 3.77Å; L171-I175 HydrophobicContact CG-CG1 4.49Å; L171-I175 WeakPolarHBondContact O-CB 3.44Å; L171-I175 VanDerWaalsContact O-CG1 3.26Å; L171-I175 WeakPolarHBondContact O-CG1 3.49Å; L171-I175 PolarHBondContact O-N 3.08Å; L171-I175 VanDerWaalsContact O-N 3.09Å; L171-W195 HydrophobicContact CD2-CB 4.09Å; L171-W195 HydrophobicContact CD2-CD2 3.68Å; L171-W195 HydrophobicContact CD2-CE3 4.07Å; L171-W195 HydrophobicContact CD2-CG 3.67Å; L171-L210 HydrophobicContact CB-CD2 4.2Å; L171-L210 HydrophobicContact CD2-CD1 3.9Å; L171-L210 HydrophobicContact CD2-CD2 4.2Å; L171-L210 HydrophobicContact CG-CD2 4.04Å
172A92.1Very high90.6Very high17 Ų1736.1 Ų36.114%0.1421%0.207CC..Hα-helixtrans-61.5-44.4175.800000111.3A168 G169 I174 I175 E176 L210A168-A172 VanDerWaalsContact O-CB 3.31Å; A168-A172 WeakPolarHBondContact O-CB 3.43Å; A168-A172 PolarHBondContact O-N 3.05Å; G169-A172 WeakPolarHBondContact O-CB 3.42Å; G169-A172 PolarHBondContact O-N 3.2Å; G169-A172 VanDerWaalsContact O-N 3.08Å; A172-I174 PolarHBondContact O-N 3.31Å; A172-I175 PolarHBondContact O-N 2.96Å; A172-E176 WeakPolarHBondContact O-CB 3.36Å; A172-E176 PolarHBondContact O-N 3.38Å; A172-L210 HydrophobicContact CB-CD2 3.89Å
173D90.5Very high90.3Very high93 Ų9342 Ų4250%0.49723%0.231SC..Hα-helixtrans-62-42.2-179.9-66.3-21.2000111.8G169 E170 T177G169-D173 PolarHBondContact O-N 3.42Å; E170-D173 PolarHBondContact O-N 3.47Å; D173-T177 PolarHBondContact O-N 3.28Å; D173-T177 PolarHBondContact O-OG1 3.46Å
174I92.2Very high90.1Very high1 Ų147 Ų471%0.00525%0.253CS..Hα-helixtrans-62.7-45.1176.4-69165.1000110.9Y147 I150 L151 F154 L166 E170 L171 A172 L180Y147-I174 HydrophobicContact CE2-CG1 3.93Å; I150-I174 HydrophobicContact CG2-CD1 4.23Å; L151-I174 HydrophobicContact CD2-CG2 4.16Å; F154-I174 HydrophobicContact CD2-CG2 3.97Å; F154-I174 HydrophobicContact CE2-CG2 3.84Å; L166-I174 HydrophobicContact CD1-CD1 4.09Å; E170-I174 WeakPolarHBondContact O-CD1 3.47Å; E170-I174 VanDerWaalsContact O-CG1 3.29Å; E170-I174 WeakPolarHBondContact O-CG1 3.3Å; E170-I174 PolarHBondContact O-N 3.41Å; E170-I174 VanDerWaalsContact O-N 3.17Å; L171-I174 PolarHBondContact O-N 2.8Å; A172-I174 PolarHBondContact O-N 3.31Å; I174-L180 HydrophobicContact CG2-CD1 4.04Å
175I92.2Very high90Very high1 Ų146.7 Ų46.71%0.00525%0.251CS..Hα-helixtrans-77.4-36.8-172.8-67.5177000112.4L171 A172 T177 V188 I192 K213 R270L171-I175 HydrophobicContact CD1-CD1 3.66Å; L171-I175 HydrophobicContact CD1-CG1 4.11Å; L171-I175 HydrophobicContact CD2-CD1 4.47Å; L171-I175 HydrophobicContact CG-CD1 3.77Å; L171-I175 HydrophobicContact CG-CG1 4.49Å; L171-I175 WeakPolarHBondContact O-CB 3.44Å; L171-I175 VanDerWaalsContact O-CG1 3.26Å; L171-I175 WeakPolarHBondContact O-CG1 3.49Å; L171-I175 PolarHBondContact O-N 3.08Å; L171-I175 VanDerWaalsContact O-N 3.09Å; A172-I175 PolarHBondContact O-N 2.96Å; I175-T177 VanDerWaalsContact C-N 3.27Å; I175-T177 PolarHBondContact O-N 3.35Å; I175-V188 HydrophobicContact CB-CG1 4.38Å; I175-V188 HydrophobicContact CD1-CG1 4.01Å; I175-V188 HydrophobicContact CG1-CG1 4.04Å; I175-V188 HydrophobicContact CG2-CG1 3.51Å; I175-I192 HydrophobicContact CD1-CD1 3.65Å; I175-I192 HydrophobicContact CD1-CG1 3.51Å; I175-K213 HydrophobicContact CG2-CB 3.99Å; I175-R270 PolarHBondContact O-NH1 2.87Å; I175-R270 PolarHBondContact O-NH2 3.44Å
176E89.9Confident90.1Very high98 Ų9845.7 Ų45.746%0.45824%0.241SC..Hα-helixtrans-64.7-33.5178.7-179.5159.5-15000111.9A172 D178 K213A172-E176 WeakPolarHBondContact O-CB 3.36Å; A172-E176 PolarHBondContact O-N 3.38Å; E176-D178 PolarHBondContact O-N 3.34Å; E176-K213 HydrophobicContact CB-CD 4.1Å; E176-K213 HydrophobicContact CB-CG 4.48Å; E176-K213 HydrophobicContact CG-CD 4.16Å; E176-K213 IonicContact OE1-NZ 3.31Å; E176-K213 PolarHBondContact OE1-NZ 3.05Å; E176-K213 WeakPolarHBondContact OE2-CE 3.4Å; E176-K213 IonicContact OE2-NZ 3.24Å; E176-K213 PolarHBondContact OE2-NZ 3.02Å
177T89.3Confident90.1Very high35 Ų3547.1 Ų47.122%0.21525%0.249CC..  trans-60.8130.8-174.3-66.60000113.2Y147 L151 D173 I175 N179 L180 R270Y147-T177 PolarHBondContact OH-OG1 3.19Å; Y147-T177 VanDerWaalsContact OH-OG1 3.13Å; L151-T177 HydrophobicContact CD1-CG2 4.13Å; D173-T177 PolarHBondContact O-N 3.28Å; D173-T177 PolarHBondContact O-OG1 3.46Å; I175-T177 VanDerWaalsContact C-N 3.27Å; I175-T177 PolarHBondContact O-N 3.35Å; T177-N179 VanDerWaalsContact C-N 3.25Å; T177-N179 HydrophobicContact CG2-CB 3.72Å; T177-N179 PolarHBondContact O-N 2.92Å; T177-L180 PolarHBondContact O-N 3.37Å; T177-R270 PolarHBondContact O-NH1 2.84Å
178D87.8Confident90.2Very high34 Ų3444.5 Ų44.518%0.18223%0.231CC..THydrogen-bonded Turntrans-65-24.7175.7-92.1-8.4000114E176 L180 R215 L271 R568E176-D178 PolarHBondContact O-N 3.34Å; D178-L180 VanDerWaalsContact C-N 3.26Å; D178-L180 PolarHBondContact O-N 3.29Å; D178-R215 IonicContact OD1-CZ 3.62Å; D178-R215 IonicContact OD1-NH1 3.2Å; D178-R215 PolarHBondContact OD1-NH1 2.89Å; D178-R215 IonicContact OD1-NH2 3.01Å; D178-R215 PolarHBondContact OD1-NH2 3.09Å; D178-L271 HydrophobicContact CB-CD1 3.98Å; D178-L271 HydrophobicContact CB-CG 4.15Å; D178-L271 PolarHBondContact O-N 2.89Å; D178-R568 IonicContact OD1-NH1 3.85Å; D178-R568 WeakPolarHBondContact OD2-CD 3.31Å; D178-R568 IonicContact OD2-CZ 3.73Å; D178-R568 IonicContact OD2-NE 2.91Å; D178-R568 IonicContact OD2-NH1 3.99Å; D178-R568 PolarHBondContact OD2-NH1 2.76Å
179N87.7Confident90.2Very high87 Ų8743.6 Ų43.647%0.46522%0.223SC..THydrogen-bonded Turntrans-77.3-3179.1-61.3-53.7000114.4L151 T177 I181 L271L151-N179 HydrophobicContact CD1-CB 3.99Å; T177-N179 VanDerWaalsContact C-N 3.25Å; T177-N179 HydrophobicContact CG2-CB 3.72Å; T177-N179 PolarHBondContact O-N 2.92Å; N179-I181 PolarHBondContact O-N 3.32Å; N179-L271 WeakPolarHBondContact OD1-CD1 3.35Å
180L91.3Very high90.3Very high0 Ų045.4 Ų45.40%022%0.22CC..  trans-63.6132.1177.9-175.573.6000110.5L151 F154 I174 T177 D178 V182 V188 R270L151-L180 HydrophobicContact CD2-CB 4.21Å; L151-L180 HydrophobicContact CD2-CD1 3.64Å; F154-L180 HydrophobicContact CB-CD1 3.7Å; F154-L180 HydrophobicContact CD1-CD1 4.35Å; F154-L180 HydrophobicContact CD1-CD2 4.41Å; F154-L180 HydrophobicContact CD2-CD1 3.66Å; F154-L180 HydrophobicContact CE2-CD1 4.34Å; F154-L180 HydrophobicContact CG-CD1 3.64Å; F154-L180 HydrophobicContact CG-CD2 4.47Å; F154-L180 HydrophobicContact CG-CG 4.39Å; I174-L180 HydrophobicContact CG2-CD1 4.04Å; T177-L180 PolarHBondContact O-N 3.37Å; D178-L180 VanDerWaalsContact C-N 3.26Å; D178-L180 PolarHBondContact O-N 3.29Å; L180-V182 HydrophobicContact CD2-CG1 4.2Å; L180-V182 HydrophobicContact CG-CG1 4.25Å; L180-V188 HydrophobicContact CD2-CG2 3.96Å; L180-R270 VanDerWaalsContact CD2-CZ 3.44Å; L180-R270 WeakPolarHBondContact O-CD 3.21Å
181I89.6Confident90.3Very high54 Ų5443.7 Ų43.728%0.27721%0.213SC..  trans-104104.4-178.4-60.2171.2000108.6L151 K152 N179 T273L151-I181 PolarHBondContact O-N 2.9Å; K152-I181 HydrophobicContact CB-CD1 4.12Å; K152-I181 HydrophobicContact CG-CD1 4.03Å; N179-I181 PolarHBondContact O-N 3.32Å; I181-T273 HydrophobicContact CB-CG2 4.32Å; I181-T273 HydrophobicContact CD1-CG2 3.58Å; I181-T273 HydrophobicContact CG1-CG2 3.75Å; I181-T273 HydrophobicContact CG2-CG2 3.59Å
182V89.6Confident90.3Very high8 Ų843.7 Ų43.75%0.04821%0.213CC..  trans-135144.7172.7-69.80000109.3F154 E155 L180 V188F154-V182 HydrophobicContact CB-CG1 4.4Å; F154-V182 HydrophobicContact CD1-CG1 3.55Å; F154-V182 HydrophobicContact CE1-CG1 4.25Å; F154-V182 HydrophobicContact CG-CG1 4.33Å; E155-V182 HydrophobicContact CG-CG1 4.34Å; L180-V182 HydrophobicContact CD2-CG1 4.2Å; L180-V182 HydrophobicContact CG-CG1 4.25Å; V182-V188 HydrophobicContact CG1-CG2 4.01Å; V182-V188 HydrophobicContact CG2-CG2 4.04Å
183K84.3Confident90.2Very high172 Ų17244.4 Ų44.475%0.74822%0.215SC*.SBendtrans-72.2-35.3176.6-66.8-176.9179.6-1740111.9E155E155-K183 WeakPolarHBondContact OE1-CB 3.41Å; E155-K183 PolarHBondContact OE1-N 3.15Å
184K87.3Confident90.3Very high107 Ų10744.9 Ų44.947%0.46521%0.209SC..  trans-142.7143.1180-64.5-170175-162.70110.3R186 T187 D220K184-R186 HydrophobicContact CB-CG 4.14Å; K184-R186 PolarHBondContact O-N 2.9Å; K184-R186 VanDerWaalsContact O-N 3.1Å; K184-T187 PolarHBondContact O-N 3.45Å; K184-T187 VanDerWaalsContact O-N 3.16Å; K184-T187 PolarHBondContact O-OG1 3.4Å; K184-D220 IonicContact NZ-OD2 2.75Å
185E90.2Very high90.4Very high12 Ų1245 Ų456%0.05621%0.21CC..Hα-helixtrans-62.7-17.5174.7-74.5-62.7128.300113.3T187 V188 Y189 R215 L218 L219 R270E185-T187 PolarHBondContact O-N 3.15Å; E185-V188 WeakPolarHBondContact O-CB 3.29Å; E185-V188 PolarHBondContact O-N 3Å; E185-V188 VanDerWaalsContact O-N 3.13Å; E185-Y189 PolarHBondContact O-N 3.22Å; E185-R215 HydrophobicContact CG-CB 3.98Å; E185-R215 WeakPolarHBondContact OE1-CD 3.25Å; E185-R215 IonicContact OE1-NE 3.23Å; E185-R215 PolarHBondContact OE2-N 2.91Å; E185-L218 HydrophobicContact CG-CB 4.03Å; E185-L219 HydrophobicContact CB-CD2 3.78Å; E185-L219 HydrophobicContact CB-CG 4.28Å; E185-R270 IonicContact OE1-CZ 2.67Å; E185-R270 IonicContact OE1-NE 3.05Å; E185-R270 PolarHBondContact OE1-NE 2.76Å; E185-R270 IonicContact OE1-NH2 3.59Å; E185-R270 PolarHBondContact OE1-NH2 3.28Å; E185-R270 IonicContact OE2-CZ 2.69Å; E185-R270 IonicContact OE2-NE 3.69Å; E185-R270 IonicContact OE2-NH2 3.72Å; E185-R270 PolarHBondContact OE2-NH2 3.47Å
186R90.7Very high90.3Very high81 Ų8145 Ų4531%0.30621%0.21SC..Hα-helixtrans-57.2-36174.788.9-178.8-68.5158.6-11.8111.9K184 V188 Y189 E190 L219 Y223K184-R186 HydrophobicContact CB-CG 4.14Å; K184-R186 PolarHBondContact O-N 2.9Å; K184-R186 VanDerWaalsContact O-N 3.1Å; R186-V188 VanDerWaalsContact C-N 3.25Å; R186-V188 PolarHBondContact O-N 3.04Å; R186-Y189 PolarHBondContact O-N 3.17Å; R186-E190 IonicContact CZ-OE1 2.75Å; R186-E190 IonicContact NE-OE1 3.4Å; R186-E190 PolarHBondContact NE-OE1 3.45Å; R186-E190 IonicContact NH2-OE1 3.83Å; R186-E190 PolarHBondContact NH2-OE1 3.4Å; R186-E190 WeakPolarHBondContact O-CB 3.44Å; R186-E190 WeakPolarHBondContact O-CG 3.31Å; R186-E190 PolarHBondContact O-N 3.03Å; R186-L219 HydrophobicContact CB-CD2 4.13Å; R186-L219 VanDerWaalsContact N-CD2 3.32Å; R186-Y223 HydrophobicContact CB-CE1 4.26Å; R186-Y223 VanDerWaalsContact CZ-CE2 3.5Å
187T91.9Very high90.2Very high32 Ų3244.1 Ų44.120%0.19622%0.215CC..Hα-helixtrans-65.5-35.4-177.3-48.10000110.5E155 K184 E185 A191E155-T187 HydrophobicContact CB-CG2 4.36Å; E155-T187 HydrophobicContact CG-CG2 4.07Å; K184-T187 PolarHBondContact O-N 3.45Å; K184-T187 VanDerWaalsContact O-N 3.16Å; K184-T187 PolarHBondContact O-OG1 3.4Å; E185-T187 PolarHBondContact O-N 3.15Å; T187-A191 VanDerWaalsContact O-CB 3.28Å; T187-A191 WeakPolarHBondContact O-CB 3.47Å; T187-A191 PolarHBondContact O-N 3.4Å
188V92.6Very high90.2Very high0 Ų047.9 Ų47.90%023%0.23CC..Hα-helixtrans-67.2-44.8175.4-178.30000110.7F154 I175 L180 V182 E185 R186 A191 I192 I214F154-V188 HydrophobicContact CE1-CG2 4.16Å; I175-V188 HydrophobicContact CB-CG1 4.38Å; I175-V188 HydrophobicContact CD1-CG1 4.01Å; I175-V188 HydrophobicContact CG1-CG1 4.04Å; I175-V188 HydrophobicContact CG2-CG1 3.51Å; L180-V188 HydrophobicContact CD2-CG2 3.96Å; V182-V188 HydrophobicContact CG1-CG2 4.01Å; V182-V188 HydrophobicContact CG2-CG2 4.04Å; E185-V188 WeakPolarHBondContact O-CB 3.29Å; E185-V188 PolarHBondContact O-N 3Å; E185-V188 VanDerWaalsContact O-N 3.13Å; R186-V188 VanDerWaalsContact C-N 3.25Å; R186-V188 PolarHBondContact O-N 3.04Å; V188-A191 PolarHBondContact O-N 3.29Å; V188-I192 HydrophobicContact CG1-CD1 4.26Å; V188-I192 WeakPolarHBondContact O-CG1 3.28Å; V188-I192 PolarHBondContact O-N 3.01Å; V188-I214 HydrophobicContact CG1-CG1 4.37Å
189Y91.3Very high90.2Very high1 Ų147.6 Ų47.60%0.00423%0.232CC..Hα-helixtrans-61.7-46.3175.8175.5-105.2000112.1E185 R186 A191 I192 L193 F207 F211 I214 Y223 V228 N231E185-Y189 PolarHBondContact O-N 3.22Å; R186-Y189 PolarHBondContact O-N 3.17Å; Y189-A191 VanDerWaalsContact C-N 3.31Å; Y189-A191 PolarHBondContact O-N 3.03Å; Y189-I192 PolarHBondContact O-N 2.82Å; Y189-L193 HydrophobicContact CD1-CD1 3.92Å; Y189-L193 HydrophobicContact CD1-CG 4.43Å; Y189-L193 HydrophobicContact CE1-CD1 3.3Å; Y189-L193 HydrophobicContact CE1-CG 4.02Å; Y189-L193 HydrophobicContact CE2-CD1 4.34Å; Y189-L193 HydrophobicContact CE2-CD2 4.36Å; Y189-L193 HydrophobicContact CE2-CG 4.21Å; Y189-L193 WeakPolarHBondContact O-CG 3.28Å; Y189-L193 PolarHBondContact O-N 3.43Å; Y189-F207 HydrophobicContact CE2-CZ 4.44Å; Y189-F211 HydrophobicContact CD2-CD2 4.27Å; Y189-F211 AromaticContact CD2-CE2 3.98Å; Y189-F211 HydrophobicContact CD2-CE2 3.98Å; Y189-F211 HydrophobicContact CE2-CD2 4.17Å; Y189-F211 AromaticContact CE2-CE2 3.74Å; Y189-F211 HydrophobicContact CE2-CE2 3.74Å; Y189-I214 HydrophobicContact CD2-CD1 3.87Å; Y189-Y223 AromaticContact CD1-CE1 3.75Å; Y189-Y223 HydrophobicContact CD1-CE1 3.75Å; Y189-Y223 HydrophobicContact CE1-CE1 4.14Å; Y189-V228 HydrophobicContact CD1-CG2 4.28Å; Y189-V228 HydrophobicContact CE1-CG2 3.86Å; Y189-V228 HydrophobicContact CE2-CG1 4.06Å; Y189-V228 HydrophobicContact CE2-CG2 4.38Å; Y189-N231 PolarHBondContact OH-ND2 3.3Å
190E91.4Very high90Very high79 Ų7947.6 Ų47.637%0.36923%0.231SC..Hα-helixtrans-63.1-37.1177.9-71.1170.5-175.200111.5R186 L193 R194 Y223R186-E190 IonicContact CZ-OE1 2.75Å; R186-E190 IonicContact NE-OE1 3.4Å; R186-E190 PolarHBondContact NE-OE1 3.45Å; R186-E190 IonicContact NH2-OE1 3.83Å; R186-E190 PolarHBondContact NH2-OE1 3.4Å; R186-E190 WeakPolarHBondContact O-CB 3.44Å; R186-E190 WeakPolarHBondContact O-CG 3.31Å; R186-E190 PolarHBondContact O-N 3.03Å; E190-L193 PolarHBondContact O-N 3.17Å; E190-R194 PolarHBondContact O-N 2.88Å; E190-Y223 VanDerWaalsContact CG-OH 3.28Å; E190-Y223 WeakPolarHBondContact CG-OH 3.35Å; E190-Y223 PolarHBondContact OE1-OH 2.94Å
191A92.4Very high89.6Confident5 Ų556.3 Ų56.34%0.04127%0.272CS..Hα-helixtrans-64-45.5173.800000112.5F154 A158 F163 T187 V188 Y189 L193 R194 W195F154-A191 HydrophobicContact CE1-CB 4.15Å; F154-A191 HydrophobicContact CZ-CB 4.01Å; A158-A191 HydrophobicContact CB-CB 3.76Å; F163-A191 HydrophobicContact CE1-CB 4.1Å; F163-A191 HydrophobicContact CZ-CB 3.92Å; T187-A191 VanDerWaalsContact O-CB 3.28Å; T187-A191 WeakPolarHBondContact O-CB 3.47Å; T187-A191 PolarHBondContact O-N 3.4Å; V188-A191 PolarHBondContact O-N 3.29Å; Y189-A191 VanDerWaalsContact C-N 3.31Å; Y189-A191 PolarHBondContact O-N 3.03Å; A191-L193 VanDerWaalsContact C-N 3.33Å; A191-L193 PolarHBondContact O-N 3.35Å; A191-R194 PolarHBondContact O-N 3.46Å; A191-W195 PolarHBondContact O-N 3.18Å
192I92.2Very high89.4Confident0 Ų060.8 Ų60.80%029%0.292CS..Hα-helixtrans-60.9-44.3175.8-68.5163.8000110.3I175 V188 Y189 R194 W195 T196 F207 L210 I214I175-I192 HydrophobicContact CD1-CD1 3.65Å; I175-I192 HydrophobicContact CD1-CG1 3.51Å; V188-I192 HydrophobicContact CG1-CD1 4.26Å; V188-I192 WeakPolarHBondContact O-CG1 3.28Å; V188-I192 PolarHBondContact O-N 3.01Å; Y189-I192 PolarHBondContact O-N 2.82Å; I192-R194 VanDerWaalsContact C-N 3.34Å; I192-R194 PolarHBondContact O-N 2.98Å; I192-W195 PolarHBondContact O-N 3.21Å; I192-T196 PolarHBondContact O-N 3.05Å; I192-T196 PolarHBondContact O-OG1 3.31Å; I192-F207 HydrophobicContact CG2-CD2 3.82Å; I192-F207 HydrophobicContact CG2-CE2 3.74Å; I192-L210 HydrophobicContact CD1-CB 4.26Å; I192-L210 HydrophobicContact CG1-CB 4.46Å; I192-L210 HydrophobicContact CG2-CB 4.12Å; I192-L210 HydrophobicContact CG2-CD1 4.33Å; I192-I214 HydrophobicContact CD1-CD1 3.47Å; I192-I214 VanDerWaalsContact CD1-CD1 3.47Å; I192-I214 HydrophobicContact CD1-CG1 3.54Å
193L90.3Very high89.3Confident33 Ų3362.1 Ų62.117%0.17330%0.296CS..Hα-helixtrans-59.7-43.7177.9-75-178.9000112.5Y189 E190 A191 T196 S197 F207 N231 L233Y189-L193 HydrophobicContact CD1-CD1 3.92Å; Y189-L193 HydrophobicContact CD1-CG 4.43Å; Y189-L193 HydrophobicContact CE1-CD1 3.3Å; Y189-L193 HydrophobicContact CE1-CG 4.02Å; Y189-L193 HydrophobicContact CE2-CD1 4.34Å; Y189-L193 HydrophobicContact CE2-CD2 4.36Å; Y189-L193 HydrophobicContact CE2-CG 4.21Å; Y189-L193 WeakPolarHBondContact O-CG 3.28Å; Y189-L193 PolarHBondContact O-N 3.43Å; E190-L193 PolarHBondContact O-N 3.17Å; A191-L193 VanDerWaalsContact C-N 3.33Å; A191-L193 PolarHBondContact O-N 3.35Å; L193-T196 PolarHBondContact O-N 3.28Å; L193-S197 WeakPolarHBondContact O-CB 3.41Å; L193-S197 PolarHBondContact O-N 3.41Å; L193-S197 PolarHBondContact O-OG 3.08Å; L193-F207 HydrophobicContact CD2-CE2 3.93Å; L193-F207 HydrophobicContact CD2-CZ 4.27Å; L193-N231 VanDerWaalsContact CD2-ND2 3.27Å; L193-N231 WeakPolarHBondContact CD2-ND2 3.46Å; L193-L233 HydrophobicContact CD2-CD1 4.26Å
194R91.9Very high89.3Confident102 Ų10258.8 Ų58.839%0.38528%0.283SS..Hα-helixtrans-61-45.5175.8178.2178.4169.683.60.9111.1L159 D161 L164 E190 A191 I192 S197 H198L159-R194 PolarHBondContact O-NH2 3Å; L159-R194 VanDerWaalsContact O-NH2 3.1Å; D161-R194 IonicContact OD1-NH2 2.84Å; D161-R194 PolarHBondContact OD1-NH2 3.45Å; L164-R194 HydrophobicContact CD2-CG 4.13Å; E190-R194 PolarHBondContact O-N 2.88Å; A191-R194 PolarHBondContact O-N 3.46Å; I192-R194 VanDerWaalsContact C-N 3.34Å; I192-R194 PolarHBondContact O-N 2.98Å; R194-S197 PolarHBondContact O-N 3.16Å; R194-H198 PolarHBondContact O-N 3.28Å
195W94Very high89.3Confident4 Ų458.6 Ų58.62%0.01529%0.291CS..Hα-helixtrans-64.6-43.1179.1-178.292.7000112.7F163 L166 A168 L171 A191 I192 R203 H206 L210F163-W195 HydrophobicContact CE1-CB 4Å; L166-W195 PolarHBondContact O-NE1 3.26Å; A168-W195 HydrophobicContact CB-CH2 3.87Å; A168-W195 HydrophobicContact CB-CZ2 4.36Å; L171-W195 HydrophobicContact CD2-CB 4.09Å; L171-W195 HydrophobicContact CD2-CD2 3.68Å; L171-W195 HydrophobicContact CD2-CE3 4.07Å; L171-W195 HydrophobicContact CD2-CG 3.67Å; A191-W195 PolarHBondContact O-N 3.18Å; I192-W195 PolarHBondContact O-N 3.21Å; W195-R203 HydrophobicContact CE3-CB 4.3Å; W195-R203 HydrophobicContact CE3-CG 4.38Å; W195-R203 HydrophobicContact CH2-CB 3.99Å; W195-R203 HydrophobicContact CH2-CG 3.6Å; W195-R203 HydrophobicContact CZ2-CG 4.12Å; W195-R203 HydrophobicContact CZ3-CB 3.66Å; W195-R203 HydrophobicContact CZ3-CG 3.76Å; W195-R203 VanDerWaalsContact O-CD 3.24Å; W195-R203 WeakPolarHBondContact O-CD 3.39Å; W195-R203 PolarHBondContact O-NH1 3.03Å; W195-H206 HydrophobicContact CZ3-CB 4.5Å; W195-L210 HydrophobicContact CE3-CD1 3.72Å; W195-L210 HydrophobicContact CH2-CD1 4.28Å; W195-L210 HydrophobicContact CZ3-CD1 3.51Å
196T89.6Confident89.2Confident0 Ų062.3 Ų62.30%031%0.308CS..Hα-helixtrans-69.4-38.6178.5-60.20000111.8I192 L193 H198 A199 L200 R203 F207 L233I192-T196 PolarHBondContact O-N 3.05Å; I192-T196 PolarHBondContact O-OG1 3.31Å; L193-T196 PolarHBondContact O-N 3.28Å; T196-H198 PolarHBondContact O-N 3.37Å; T196-A199 CarbonylContact O-C 3.56Å; T196-A199 PolarHBondContact O-N 2.92Å; T196-L200 HydrophobicContact CG2-CD1 4.27Å; T196-L200 WeakPolarHBondContact O-CA 3.46Å; T196-L200 PolarHBondContact O-N 3.06Å; T196-R203 HydrophobicContact CG2-CB 4.3Å; T196-F207 HydrophobicContact CG2-CB 4.36Å; T196-F207 HydrophobicContact CG2-CD2 4.16Å; T196-L233 HydrophobicContact CG2-CD1 3.96Å
197S88.7Confident89Confident81 Ų8158.5 Ų58.557%0.56629%0.294SS*.Hα-helixtrans-67.4-20.9-179-62.70000113.3L193 R194L193-S197 WeakPolarHBondContact O-CB 3.41Å; L193-S197 PolarHBondContact O-N 3.41Å; L193-S197 PolarHBondContact O-OG 3.08Å; R194-S197 PolarHBondContact O-N 3.16Å
198H89.7Confident88.7Confident114 Ų11459.1 Ų59.153%0.52830%0.299SS..Hα-helixtrans-67.9-34.3177-176.869.4000113.5L164 R194 T196L164-H198 HydrophobicContact CD1-CB 4.45Å; L164-H198 HydrophobicContact CD2-CB 4Å; R194-H198 PolarHBondContact O-N 3.28Å; T196-H198 PolarHBondContact O-N 3.37Å
199A86.7Confident88.5Confident28 Ų2861.8 Ų61.823%0.23132%0.321CS..THydrogen-bonded Turntrans-144.370.3178.400000110.1T196 E201 E202 R203T196-A199 CarbonylContact O-C 3.56Å; T196-A199 PolarHBondContact O-N 2.92Å; A199-E201 VanDerWaalsContact C-N 3.34Å; A199-E201 PolarHBondContact O-N 2.82Å; A199-E202 PolarHBondContact O-N 2.87Å; A199-R203 HydrophobicContact CB-CG 4.12Å; A199-R203 VanDerWaalsContact O-CB 3.22Å; A199-R203 WeakPolarHBondContact O-CB 3.41Å; A199-R203 WeakPolarHBondContact O-CG 3.47Å; A199-R203 PolarHBondContact O-N 3.16Å
200L84.3Confident88.4Confident86 Ų8661.9 Ų61.945%0.4532%0.321SS..Hα-helixtrans-55.8-45.7-169.6-169.467.8000112.7T196 E202 R203 E204 L233T196-L200 HydrophobicContact CG2-CD1 4.27Å; T196-L200 WeakPolarHBondContact O-CA 3.46Å; T196-L200 PolarHBondContact O-N 3.06Å; L200-E202 VanDerWaalsContact C-N 3.33Å; L200-E202 PolarHBondContact O-N 3.01Å; L200-R203 PolarHBondContact O-N 3.31Å; L200-E204 WeakPolarHBondContact O-CB 3.27Å; L200-E204 PolarHBondContact O-N 3.27Å; L200-L233 HydrophobicContact CD1-CD1 4.4Å; L200-L233 HydrophobicContact CD1-CD2 3.98Å
201E82.1Confident88.2Confident184 Ų18458.1 Ų58.186%0.8630%0.304SS*.Hα-helixtrans-62.1-37.6-174.4-63.1-177.5178.600113.2A199A199-E201 VanDerWaalsContact C-N 3.34Å; A199-E201 PolarHBondContact O-N 2.82Å
202E85.6Confident87.9Confident148 Ų14860.2 Ų60.269%0.69232%0.318SS*.Hα-helixtrans-87.3-40.8179.5-63.2-179.9176.200111.5A199 L200 T205A199-E202 PolarHBondContact O-N 2.87Å; L200-E202 VanDerWaalsContact C-N 3.33Å; L200-E202 PolarHBondContact O-N 3.01Å; E202-T205 PolarHBondContact O-OG1 2.75Å
203R88.4Confident87.8Confident35 Ų3563.4 Ų63.413%0.13233%0.332CS..Hα-helixtrans-88.8-16.5-167.9-63.6-179.8179.2-171.7-4.4114.3L164 W195 T196 A199 L200 T205 H206 F207L164-R203 PolarHBondContact O-NH1 3.14Å; L164-R203 PolarHBondContact O-NH2 3.48Å; W195-R203 HydrophobicContact CE3-CB 4.3Å; W195-R203 HydrophobicContact CE3-CG 4.38Å; W195-R203 HydrophobicContact CH2-CB 3.99Å; W195-R203 HydrophobicContact CH2-CG 3.6Å; W195-R203 HydrophobicContact CZ2-CG 4.12Å; W195-R203 HydrophobicContact CZ3-CB 3.66Å; W195-R203 HydrophobicContact CZ3-CG 3.76Å; W195-R203 VanDerWaalsContact O-CD 3.24Å; W195-R203 WeakPolarHBondContact O-CD 3.39Å; W195-R203 PolarHBondContact O-NH1 3.03Å; T196-R203 HydrophobicContact CG2-CB 4.3Å; A199-R203 HydrophobicContact CB-CG 4.12Å; A199-R203 VanDerWaalsContact O-CB 3.22Å; A199-R203 WeakPolarHBondContact O-CB 3.41Å; A199-R203 WeakPolarHBondContact O-CG 3.47Å; A199-R203 PolarHBondContact O-N 3.16Å; L200-R203 PolarHBondContact O-N 3.31Å; R203-T205 PolarHBondContact O-N 3Å; R203-H206 PolarHBondContact O-N 3.01Å; R203-F207 PolarHBondContact O-N 3Å
204E84.5Confident87.7Confident102 Ų10261.9 Ų61.948%0.47732%0.324SS..G310 helixtrans-56.6-37.4175.3178.8172.8-15900111.4L200 H206 F207 P208 L233L200-E204 WeakPolarHBondContact O-CB 3.27Å; L200-E204 PolarHBondContact O-N 3.27Å; E204-H206 PolarHBondContact O-N 2.89Å; E204-F207 WeakPolarHBondContact O-CB 3.49Å; E204-F207 PolarHBondContact O-N 3.41Å; E204-P208 WeakPolarHBondContact O-CD 3.4Å; E204-L233 HydrophobicContact CB-CD2 4.46Å; E204-L233 HydrophobicContact CG-CD2 3.89Å
205T86.6Confident87.5Confident104 Ų10457.5 Ų57.564%0.63831%0.308SS*.G310 helixtrans-63-28.9177.865.60000113.4E202 R203E202-T205 PolarHBondContact O-OG1 2.75Å; R203-T205 PolarHBondContact O-N 3Å
206H87.6Confident87.1Confident89 Ų8957.3 Ų57.341%0.41231%0.307SS..G310 helixtrans-90.1-14.8180-63.9-62.3000113.2A168 W195 R203 E204 A209 L210A168-H206 HydrophobicContact CB-CB 3.89Å; W195-H206 HydrophobicContact CZ3-CB 4.5Å; R203-H206 PolarHBondContact O-N 3.01Å; E204-H206 PolarHBondContact O-N 2.89Å; H206-A209 WeakPolarHBondContact O-CB 3.48Å; H206-A209 PolarHBondContact O-N 3.16Å; H206-A209 VanDerWaalsContact O-N 3.17Å; H206-L210 PolarHBondContact O-N 3.17Å; H206-L210 VanDerWaalsContact O-N 3.16Å
207F87.7Confident86.8Confident1 Ų157.9 Ų57.90%0.00431%0.312CS..Hα-helixtrans-57.2-45.7-176.5-178-92.5000113.3Y189 I192 L193 T196 R203 E204 A209 L210 F211 L233 T234Y189-F207 HydrophobicContact CE2-CZ 4.44Å; I192-F207 HydrophobicContact CG2-CD2 3.82Å; I192-F207 HydrophobicContact CG2-CE2 3.74Å; L193-F207 HydrophobicContact CD2-CE2 3.93Å; L193-F207 HydrophobicContact CD2-CZ 4.27Å; T196-F207 HydrophobicContact CG2-CB 4.36Å; T196-F207 HydrophobicContact CG2-CD2 4.16Å; R203-F207 PolarHBondContact O-N 3Å; E204-F207 WeakPolarHBondContact O-CB 3.49Å; E204-F207 PolarHBondContact O-N 3.41Å; F207-A209 VanDerWaalsContact C-N 3.27Å; F207-A209 PolarHBondContact O-N 2.63Å; F207-L210 PolarHBondContact O-N 2.99Å; F207-F211 HydrophobicContact CD1-CB 4.38Å; F207-F211 HydrophobicContact CE1-CB 4.12Å; F207-F211 AromaticContact CE1-CD2 4Å; F207-F211 HydrophobicContact CE1-CD2 4Å; F207-F211 HydrophobicContact CE1-CG 4.17Å; F207-F211 HydrophobicContact CZ-CB 4.49Å; F207-F211 AromaticContact CZ-CD2 3.89Å; F207-F211 HydrophobicContact CZ-CD2 3.89Å; F207-F211 HydrophobicContact CZ-CG 4.46Å; F207-F211 WeakPolarHBondContact O-CB 3.47Å; F207-F211 PolarHBondContact O-N 2.94Å; F207-L233 HydrophobicContact CD1-CB 3.94Å; F207-L233 VanDerWaalsContact CD1-O 3.3Å; F207-L233 WeakPolarHBondContact CD1-O 3.1Å; F207-L233 HydrophobicContact CD2-CB 4.49Å; F207-L233 HydrophobicContact CD2-CD1 4.37Å; F207-L233 HydrophobicContact CE1-CB 3.79Å; F207-L233 VanDerWaalsContact CE1-O 3.3Å; F207-L233 WeakPolarHBondContact CE1-O 3.46Å; F207-L233 HydrophobicContact CE2-CB 4.34Å; F207-L233 HydrophobicContact CE2-CD1 4.35Å; F207-L233 HydrophobicContact CG-CB 4.3Å; F207-L233 HydrophobicContact CZ-CB 3.99Å; F207-T234 HydrophobicContact CE1-CG2 3.97Å; F207-T234 HydrophobicContact CZ-CG2 4.13Å
208P86.1Confident86.6Confident45 Ų4557.5 Ų57.529%0.29230%0.303SS..Hα-helixtrans-61.1-35.2178.7-24.335.1000113.5E204 S212E204-P208 WeakPolarHBondContact O-CD 3.4Å; P208-S212 PolarHBondContact O-N 3.33Å; P208-S212 VanDerWaalsContact O-N 3.1Å
209A87.5Confident86.4Confident57 Ų5752.4 Ų52.447%0.47128%0.28SS..Hα-helixtrans-66.5-47.3177.600000110.8H206 F207 S212H206-A209 WeakPolarHBondContact O-CB 3.48Å; H206-A209 PolarHBondContact O-N 3.16Å; H206-A209 VanDerWaalsContact O-N 3.17Å; F207-A209 VanDerWaalsContact C-N 3.27Å; F207-A209 PolarHBondContact O-N 2.63Å; A209-S212 PolarHBondContact O-N 3.44Å; A209-S212 PolarHBondContact O-OG 2.7Å
210L88.4Confident86.2Confident2 Ų254.7 Ų54.71%0.0129%0.288CS..Hα-helixtrans-65-41.8176.3-66.3172.7000112.2L171 A172 I192 W195 H206 F207 S212 K213L171-L210 HydrophobicContact CB-CD2 4.2Å; L171-L210 HydrophobicContact CD2-CD1 3.9Å; L171-L210 HydrophobicContact CD2-CD2 4.2Å; L171-L210 HydrophobicContact CG-CD2 4.04Å; A172-L210 HydrophobicContact CB-CD2 3.89Å; I192-L210 HydrophobicContact CD1-CB 4.26Å; I192-L210 HydrophobicContact CG1-CB 4.46Å; I192-L210 HydrophobicContact CG2-CB 4.12Å; I192-L210 HydrophobicContact CG2-CD1 4.33Å; W195-L210 HydrophobicContact CE3-CD1 3.72Å; W195-L210 HydrophobicContact CH2-CD1 4.28Å; W195-L210 HydrophobicContact CZ3-CD1 3.51Å; H206-L210 PolarHBondContact O-N 3.17Å; H206-L210 VanDerWaalsContact O-N 3.16Å; F207-L210 PolarHBondContact O-N 2.99Å; L210-S212 VanDerWaalsContact C-N 3.27Å; L210-S212 PolarHBondContact O-N 3.48Å; L210-K213 WeakPolarHBondContact O-CB 3.31Å; L210-K213 PolarHBondContact O-N 3.04Å; L210-K213 VanDerWaalsContact O-N 3.08Å
211F87.5Confident86Confident0 Ų054.8 Ų54.80%029%0.292CS..Hα-helixtrans-61.6-35.9179.7-171.6-101.6000112.1Y189 F207 K213 I214 L216 V228 T234 C238 L241 L242Y189-F211 HydrophobicContact CD2-CD2 4.27Å; Y189-F211 AromaticContact CD2-CE2 3.98Å; Y189-F211 HydrophobicContact CD2-CE2 3.98Å; Y189-F211 HydrophobicContact CE2-CD2 4.17Å; Y189-F211 AromaticContact CE2-CE2 3.74Å; Y189-F211 HydrophobicContact CE2-CE2 3.74Å; F207-F211 HydrophobicContact CD1-CB 4.38Å; F207-F211 HydrophobicContact CE1-CB 4.12Å; F207-F211 AromaticContact CE1-CD2 4Å; F207-F211 HydrophobicContact CE1-CD2 4Å; F207-F211 HydrophobicContact CE1-CG 4.17Å; F207-F211 HydrophobicContact CZ-CB 4.49Å; F207-F211 AromaticContact CZ-CD2 3.89Å; F207-F211 HydrophobicContact CZ-CD2 3.89Å; F207-F211 HydrophobicContact CZ-CG 4.46Å; F207-F211 WeakPolarHBondContact O-CB 3.47Å; F207-F211 PolarHBondContact O-N 2.94Å; F211-K213 PolarHBondContact O-N 2.92Å; F211-I214 HydrophobicContact CD2-CD1 3.8Å; F211-I214 HydrophobicContact CE2-CD1 4.27Å; F211-I214 HydrophobicContact CG-CD1 4.5Å; F211-I214 PolarHBondContact O-N 2.86Å; F211-L216 HydrophobicContact CD1-CD1 4.26Å; F211-L216 HydrophobicContact CE1-CD1 3.62Å; F211-L216 HydrophobicContact CE1-CD2 4.08Å; F211-L216 HydrophobicContact CE1-CG 4.49Å; F211-L216 HydrophobicContact CE2-CD2 3.87Å; F211-L216 HydrophobicContact CZ-CD1 3.96Å; F211-L216 HydrophobicContact CZ-CD2 3.58Å; F211-L216 HydrophobicContact CZ-CG 4.44Å; F211-V228 HydrophobicContact CE2-CG1 4.04Å; F211-V228 HydrophobicContact CZ-CG1 3.99Å; F211-T234 HydrophobicContact CE2-CG2 4.01Å; F211-T234 HydrophobicContact CZ-CG2 4.18Å; F211-C238 HydrophobicContact CD1-CB 3.73Å; F211-C238 HydrophobicContact CE1-CB 3.75Å; F211-L241 HydrophobicContact CD1-CD1 4.34Å; F211-L242 HydrophobicContact CE1-CD2 4.44Å; F211-L242 HydrophobicContact CE1-CG 4.1Å; F211-L242 HydrophobicContact CZ-CD1 4.17Å; F211-L242 HydrophobicContact CZ-CD2 3.94Å; F211-L242 HydrophobicContact CZ-CG 3.95Å
212S87.3Confident86.1Confident49 Ų4952.5 Ų52.534%0.34328%0.281SS..THydrogen-bonded Turntrans-65.5-17.1176.376.60000114.6P208 A209 L210P208-S212 PolarHBondContact O-N 3.33Å; P208-S212 VanDerWaalsContact O-N 3.1Å; A209-S212 PolarHBondContact O-N 3.44Å; A209-S212 PolarHBondContact O-OG 2.7Å; L210-S212 VanDerWaalsContact C-N 3.27Å; L210-S212 PolarHBondContact O-N 3.48Å
213K88.4Confident86Confident67 Ų6746.5 Ų46.529%0.29125%0.252SS..THydrogen-bonded Turntrans-90.5-6.8179.1-54.9-61.8-179.41580113.2I175 E176 L210 F211I175-K213 HydrophobicContact CG2-CB 3.99Å; E176-K213 HydrophobicContact CB-CD 4.1Å; E176-K213 HydrophobicContact CB-CG 4.48Å; E176-K213 HydrophobicContact CG-CD 4.16Å; E176-K213 IonicContact OE1-NZ 3.31Å; E176-K213 PolarHBondContact OE1-NZ 3.05Å; E176-K213 WeakPolarHBondContact OE2-CE 3.4Å; E176-K213 IonicContact OE2-NZ 3.24Å; E176-K213 PolarHBondContact OE2-NZ 3.02Å; L210-K213 WeakPolarHBondContact O-CB 3.31Å; L210-K213 PolarHBondContact O-N 3.04Å; L210-K213 VanDerWaalsContact O-N 3.08Å; F211-K213 PolarHBondContact O-N 2.92Å
214I89.1Confident85.8Confident2 Ų245.2 Ų45.21%0.0125%0.248CC..SBendtrans-77.6140.3175.5-53.1174.2000109V188 Y189 I192 F211 L216V188-I214 HydrophobicContact CG1-CG1 4.37Å; Y189-I214 HydrophobicContact CD2-CD1 3.87Å; I192-I214 HydrophobicContact CD1-CD1 3.47Å; I192-I214 VanDerWaalsContact CD1-CD1 3.47Å; I192-I214 HydrophobicContact CD1-CG1 3.54Å; F211-I214 HydrophobicContact CD2-CD1 3.8Å; F211-I214 HydrophobicContact CE2-CD1 4.27Å; F211-I214 HydrophobicContact CG-CD1 4.5Å; F211-I214 PolarHBondContact O-N 2.86Å; I214-L216 HydrophobicContact CB-CD2 4.02Å; I214-L216 HydrophobicContact CB-CG 4.3Å; I214-L216 HydrophobicContact CG2-CD2 3.94Å; I214-L216 HydrophobicContact CG2-CG 4.45Å; I214-L216 PolarHBondContact O-N 3.42Å
215R88.6Confident85.6Confident9 Ų947.1 Ų47.13%0.03425%0.251CS..  trans-80.271174.3-56.6154.3-163.4-105.4-10.1109.3D178 E185 A217 L218 L266 R268 P269 R270D178-R215 IonicContact OD1-CZ 3.62Å; D178-R215 IonicContact OD1-NH1 3.2Å; D178-R215 PolarHBondContact OD1-NH1 2.89Å; D178-R215 IonicContact OD1-NH2 3.01Å; D178-R215 PolarHBondContact OD1-NH2 3.09Å; E185-R215 HydrophobicContact CG-CB 3.98Å; E185-R215 WeakPolarHBondContact OE1-CD 3.25Å; E185-R215 IonicContact OE1-NE 3.23Å; E185-R215 PolarHBondContact OE2-N 2.91Å; R215-A217 PolarHBondContact O-N 2.94Å; R215-A217 VanDerWaalsContact O-N 3.11Å; R215-L218 HydrophobicContact CB-CB 4.43Å; R215-L218 HydrophobicContact CB-CD1 3.85Å; R215-L218 HydrophobicContact CB-CG 4.23Å; R215-L218 HydrophobicContact CG-CD1 4.48Å; R215-L218 WeakPolarHBondContact O-CB 3.25Å; R215-L218 PolarHBondContact O-N 3.13Å; R215-L266 CarbonylContact C-O 3.17Å; R215-L266 WeakPolarHBondContact CA-O 3.44Å; R215-R268 WeakPolarHBondContact CD-O 3.45Å; R215-R268 PolarHBondContact NH1-O 3.24Å; R215-P269 PolarHBondContact NH1-O 3.33Å; R215-R270 VanDerWaalsContact NE-CZ 3.3Å; R215-R270 VanDerWaalsContact NH1-CA 3.27Å
216L84.6Confident85.5Confident0 Ų046.4 Ų46.40%024%0.243CC..G310 helixtrans-56.7-29.7-169.5-66.8172.1000113.7F211 I214 L218 L219 L241 L242 A245 L266F211-L216 HydrophobicContact CD1-CD1 4.26Å; F211-L216 HydrophobicContact CE1-CD1 3.62Å; F211-L216 HydrophobicContact CE1-CD2 4.08Å; F211-L216 HydrophobicContact CE1-CG 4.49Å; F211-L216 HydrophobicContact CE2-CD2 3.87Å; F211-L216 HydrophobicContact CZ-CD1 3.96Å; F211-L216 HydrophobicContact CZ-CD2 3.58Å; F211-L216 HydrophobicContact CZ-CG 4.44Å; I214-L216 HydrophobicContact CB-CD2 4.02Å; I214-L216 HydrophobicContact CB-CG 4.3Å; I214-L216 HydrophobicContact CG2-CD2 3.94Å; I214-L216 HydrophobicContact CG2-CG 4.45Å; I214-L216 PolarHBondContact O-N 3.42Å; L216-L218 PolarHBondContact O-N 3.47Å; L216-L219 HydrophobicContact CD2-CD1 3.85Å; L216-L219 PolarHBondContact O-N 3.41Å; L216-L241 HydrophobicContact CD1-CB 4.03Å; L216-L242 HydrophobicContact CD1-CD2 4.29Å; L216-L242 HydrophobicContact CD2-CD2 4.31Å; L216-A245 HydrophobicContact CB-CB 3.66Å; L216-L266 HydrophobicContact CD1-CD2 4.33Å; L216-L266 PolarHBondContact N-O 3.15Å
217A83.7Confident85.2Confident12 Ų1248.5 Ų48.510%0.09925%0.251CS..G310 helixtrans-74.4-7.7178.900000113.3R215 A245 T248 I249 L266 A267R215-A217 PolarHBondContact O-N 2.94Å; R215-A217 VanDerWaalsContact O-N 3.11Å; A217-A245 HydrophobicContact CB-CB 4.48Å; A217-T248 HydrophobicContact CB-CG2 4.44Å; A217-I249 HydrophobicContact CB-CD1 4.42Å; A217-I249 HydrophobicContact CB-CG1 3.81Å; A217-I249 WeakPolarHBondContact O-CG1 3.4Å; A217-L266 VanDerWaalsContact CB-O 3.25Å; A217-L266 WeakPolarHBondContact CB-O 3.39Å; A217-L266 PolarHBondContact N-O 3.45Å; A217-A267 HydrophobicContact CB-CB 3.75Å
218L83.8Confident85Confident74 Ų7448.5 Ų48.539%0.38725%0.251SS..G310 helixtrans-101.14.2175.1-58.5177.6000113E185 R215 L216 P269E185-L218 HydrophobicContact CG-CB 4.03Å; R215-L218 HydrophobicContact CB-CB 4.43Å; R215-L218 HydrophobicContact CB-CD1 3.85Å; R215-L218 HydrophobicContact CB-CG 4.23Å; R215-L218 HydrophobicContact CG-CD1 4.48Å; R215-L218 WeakPolarHBondContact O-CB 3.25Å; R215-L218 PolarHBondContact O-N 3.13Å; L216-L218 PolarHBondContact O-N 3.47Å; L218-P269 HydrophobicContact CD1-CB 4.27Å
219L85.4Confident84.6Confident7 Ų750.4 Ų50.44%0.03726%0.258CS..SBendtrans-79.4146.2170.5-69.4172.1000110.6E185 R186 L216 V221 I224E185-L219 HydrophobicContact CB-CD2 3.78Å; E185-L219 HydrophobicContact CB-CG 4.28Å; R186-L219 HydrophobicContact CB-CD2 4.13Å; R186-L219 VanDerWaalsContact N-CD2 3.32Å; L216-L219 HydrophobicContact CD2-CD1 3.85Å; L216-L219 PolarHBondContact O-N 3.41Å; L219-V221 PolarHBondContact O-N 2.88Å; L219-I224 HydrophobicContact CB-CD1 3.92Å; L219-I224 HydrophobicContact CB-CG1 3.72Å; L219-I224 HydrophobicContact CD1-CG1 4.29Å
220D83.3Confident84.3Confident75 Ų7552 Ų5240%0.40126%0.263SS..  trans-58.2126.9173.8-62.2-40.6000109.5K184 E222 Y223 I224K184-D220 IonicContact NZ-OD2 2.75Å; D220-E222 PolarHBondContact O-N 2.97Å; D220-Y223 WeakPolarHBondContact O-CA 3.42Å; D220-Y223 WeakPolarHBondContact O-CB 3.08Å; D220-Y223 PolarHBondContact O-N 3.08Å; D220-I224 PolarHBondContact O-N 3.38Å
221V80.8Confident83.9Confident89 Ų8953.6 Ų53.654%0.53927%0.272SS..Hα-helixtrans-56.8-37.8-176.2177.90000111.8L219 Y223 I224 R225 I249L219-V221 PolarHBondContact O-N 2.88Å; V221-Y223 VanDerWaalsContact C-N 3.33Å; V221-Y223 PolarHBondContact O-N 3.35Å; V221-I224 PolarHBondContact O-N 3.13Å; V221-R225 PolarHBondContact O-N 3.21Å; V221-R225 VanDerWaalsContact O-N 3.13Å; V221-I249 HydrophobicContact CG2-CD1 4.39Å; V221-I249 HydrophobicContact CG2-CG2 4.26Å
222E83.1Confident83.3Confident135 Ų13558.6 Ų58.663%0.63130%0.303SS*.Hα-helixtrans-62.7-40.3174.9-61.8-176.7167.800111.7D220 R225 D226D220-E222 PolarHBondContact O-N 2.97Å; E222-R225 PolarHBondContact O-N 3.21Å; E222-D226 WeakPolarHBondContact O-CB 3.45Å; E222-D226 PolarHBondContact O-N 3.23Å
223Y84.8Confident82.7Confident23 Ų2357.2 Ų57.29%0.0929%0.291CS..Hα-helixtrans-68.6-40.5178.6-173.4-98.3000112.2R186 Y189 E190 D220 V221 R225 D226 K227 V228R186-Y223 HydrophobicContact CB-CE1 4.26Å; R186-Y223 VanDerWaalsContact CZ-CE2 3.5Å; Y189-Y223 AromaticContact CD1-CE1 3.75Å; Y189-Y223 HydrophobicContact CD1-CE1 3.75Å; Y189-Y223 HydrophobicContact CE1-CE1 4.14Å; E190-Y223 VanDerWaalsContact CG-OH 3.28Å; E190-Y223 WeakPolarHBondContact CG-OH 3.35Å; E190-Y223 PolarHBondContact OE1-OH 2.94Å; D220-Y223 WeakPolarHBondContact O-CA 3.42Å; D220-Y223 WeakPolarHBondContact O-CB 3.08Å; D220-Y223 PolarHBondContact O-N 3.08Å; V221-Y223 VanDerWaalsContact C-N 3.33Å; V221-Y223 PolarHBondContact O-N 3.35Å; Y223-R225 VanDerWaalsContact C-N 3.27Å; Y223-R225 PolarHBondContact O-N 3.16Å; Y223-D226 PolarHBondContact O-N 2.81Å; Y223-K227 HydrophobicContact CD2-CB 4.12Å; Y223-K227 HydrophobicContact CD2-CG 3.95Å; Y223-K227 HydrophobicContact CE1-CB 4.36Å; Y223-K227 HydrophobicContact CE2-CB 3.83Å; Y223-K227 HydrophobicContact CE2-CG 3.72Å; Y223-K227 PolarHBondContact O-N 3.08Å; Y223-V228 HydrophobicContact CD1-CG2 3.89Å; Y223-V228 HydrophobicContact CE1-CG2 3.86Å; Y223-V228 PolarHBondContact O-N 3.1Å
224I82.4Confident81.9Confident7 Ų754 Ų544%0.03628%0.278CS..Iπ-helixtrans-56.5-47173.7-63173.5000109.8L219 D220 V221 V228 L229 L242 I249L219-I224 HydrophobicContact CB-CD1 3.92Å; L219-I224 HydrophobicContact CB-CG1 3.72Å; L219-I224 HydrophobicContact CD1-CG1 4.29Å; D220-I224 PolarHBondContact O-N 3.38Å; V221-I224 PolarHBondContact O-N 3.13Å; I224-V228 HydrophobicContact CG2-CB 4.49Å; I224-V228 WeakPolarHBondContact O-CB 3.31Å; I224-V228 PolarHBondContact O-N 3.34Å; I224-L229 HydrophobicContact CG2-CG 4.45Å; I224-L229 PolarHBondContact O-N 2.69Å; I224-L242 HydrophobicContact CG2-CD2 4.02Å; I224-I249 HydrophobicContact CD1-CD1 4.16Å
225R81Confident81Confident142 Ų14260.3 Ų60.354%0.53631%0.307SS..Iπ-helixtrans-66-45.9-178.7-174.7-174.362.8-148.8-10.1112.9V221 E222 Y223 P230V221-R225 PolarHBondContact O-N 3.21Å; V221-R225 VanDerWaalsContact O-N 3.13Å; E222-R225 PolarHBondContact O-N 3.21Å; Y223-R225 VanDerWaalsContact C-N 3.27Å; Y223-R225 PolarHBondContact O-N 3.16Å; R225-P230 WeakPolarHBondContact O-CD 3.25Å
226D83.6Confident80.3Confident90 Ų9062.4 Ų62.448%0.48133%0.331SS..Iπ-helixtrans-90.3-23.3-166.1-60.9-10.1000112.9E222 Y223E222-D226 WeakPolarHBondContact O-CB 3.45Å; E222-D226 PolarHBondContact O-N 3.23Å; Y223-D226 PolarHBondContact O-N 2.81Å
227K82.6Confident79.6Confident133 Ų13365.6 Ų65.658%0.57835%0.354SS*.Iπ-helixtrans-125.9-39-174.4-64.9-63.8-176.6-178.10114.6Y223Y223-K227 HydrophobicContact CD2-CB 4.12Å; Y223-K227 HydrophobicContact CD2-CG 3.95Å; Y223-K227 HydrophobicContact CE1-CB 4.36Å; Y223-K227 HydrophobicContact CE2-CB 3.83Å; Y223-K227 HydrophobicContact CE2-CG 3.72Å; Y223-K227 PolarHBondContact O-N 3.08Å
228V82.4Confident79.3Confident0 Ų065 Ų650%035%0.349CS..Iπ-helixtrans-80.6-51.4-175.6-172.50000111Y189 F211 Y223 I224 N231 T234 L242Y189-V228 HydrophobicContact CD1-CG2 4.28Å; Y189-V228 HydrophobicContact CE1-CG2 3.86Å; Y189-V228 HydrophobicContact CE2-CG1 4.06Å; Y189-V228 HydrophobicContact CE2-CG2 4.38Å; F211-V228 HydrophobicContact CE2-CG1 4.04Å; F211-V228 HydrophobicContact CZ-CG1 3.99Å; Y223-V228 HydrophobicContact CD1-CG2 3.89Å; Y223-V228 HydrophobicContact CE1-CG2 3.86Å; Y223-V228 PolarHBondContact O-N 3.1Å; I224-V228 HydrophobicContact CG2-CB 4.49Å; I224-V228 WeakPolarHBondContact O-CB 3.31Å; I224-V228 PolarHBondContact O-N 3.34Å; V228-N231 WeakPolarHBondContact O-CB 3.35Å; V228-N231 PolarHBondContact O-N 3.24Å; V228-T234 HydrophobicContact CG1-CG2 4.11Å; V228-T234 PolarHBondContact O-OG1 3.16Å; V228-L242 HydrophobicContact CG1-CD1 4.05Å; V228-L242 HydrophobicContact CG1-CD2 4.01Å
229L79.2Confident79Confident86 Ų8665.3 Ų65.345%0.4535%0.351SS..THydrogen-bonded Turntrans-59.9-40.5-179.2-79.1174.9000115I224 N231 L239 L242I224-L229 HydrophobicContact CG2-CG 4.45Å; I224-L229 PolarHBondContact O-N 2.69Å; L229-N231 PolarHBondContact O-N 3.42Å; L229-L239 HydrophobicContact CD2-CD2 4.15Å; L229-L242 HydrophobicContact CD2-CD1 3.97Å
230P80.2Confident78.8Confident89 Ų8968.2 Ų68.258%0.57837%0.372SS*.THydrogen-bonded Turntrans-73.7-7.7-178.4-19.834.7000114.3R225R225-P230 WeakPolarHBondContact O-CD 3.25Å
231N80.4Confident78.6Confident36 Ų3666.9 Ų66.919%0.19336%0.364CS..  trans-72.5135.9-174.6-164.1-35.2000110.9Y189 L193 V228 L229 L233 T234Y189-N231 PolarHBondContact OH-ND2 3.3Å; L193-N231 VanDerWaalsContact CD2-ND2 3.27Å; L193-N231 WeakPolarHBondContact CD2-ND2 3.46Å; V228-N231 WeakPolarHBondContact O-CB 3.35Å; V228-N231 PolarHBondContact O-N 3.24Å; L229-N231 PolarHBondContact O-N 3.42Å; N231-L233 PolarHBondContact O-N 3.28Å; N231-L233 PolarHBondContact OD1-N 3.17Å; N231-L233 VanDerWaalsContact OD1-N 3.08Å; N231-T234 HydrophobicContact CB-CG2 4.2Å; N231-T234 PolarHBondContact O-N 3.22Å; N231-T234 PolarHBondContact O-OG1 3.43Å
232T75.1Confident78.6Confident105 Ų10562.9 Ų62.964%0.64434%0.34SS*.G310 helixtrans-66.4-29.1179.449.10000112.3T234 Q235T232-T234 VanDerWaalsContact C-N 3.29Å; T232-T234 PolarHBondContact O-N 2.96Å; T232-Q235 WeakPolarHBondContact O-CG 3.22Å
233L74.3Confident78.4Confident20 Ų2059.9 Ų59.911%0.10533%0.334CS..G310 helixtrans-73.4-17.7179.7-65.7173000113.6L193 T196 L200 E204 F207 N231 Q235L193-L233 HydrophobicContact CD2-CD1 4.26Å; T196-L233 HydrophobicContact CG2-CD1 3.96Å; L200-L233 HydrophobicContact CD1-CD1 4.4Å; L200-L233 HydrophobicContact CD1-CD2 3.98Å; E204-L233 HydrophobicContact CB-CD2 4.46Å; E204-L233 HydrophobicContact CG-CD2 3.89Å; F207-L233 HydrophobicContact CD1-CB 3.94Å; F207-L233 VanDerWaalsContact CD1-O 3.3Å; F207-L233 WeakPolarHBondContact CD1-O 3.1Å; F207-L233 HydrophobicContact CD2-CB 4.49Å; F207-L233 HydrophobicContact CD2-CD1 4.37Å; F207-L233 HydrophobicContact CE1-CB 3.79Å; F207-L233 VanDerWaalsContact CE1-O 3.3Å; F207-L233 WeakPolarHBondContact CE1-O 3.46Å; F207-L233 HydrophobicContact CE2-CB 4.34Å; F207-L233 HydrophobicContact CE2-CD1 4.35Å; F207-L233 HydrophobicContact CG-CB 4.3Å; F207-L233 HydrophobicContact CZ-CB 3.99Å; N231-L233 PolarHBondContact O-N 3.28Å; N231-L233 PolarHBondContact OD1-N 3.17Å; N231-L233 VanDerWaalsContact OD1-N 3.08Å; L233-Q235 VanDerWaalsContact C-N 3.32Å; L233-Q235 PolarHBondContact O-N 2.92Å
234T71.6Confident78.2Confident1 Ų162.6 Ų62.61%0.00635%0.347CS..G310 helixtrans-9319.3-176.3500000113.6F207 F211 V228 N231 T232 C238 L239F207-T234 HydrophobicContact CE1-CG2 3.97Å; F207-T234 HydrophobicContact CZ-CG2 4.13Å; F211-T234 HydrophobicContact CE2-CG2 4.01Å; F211-T234 HydrophobicContact CZ-CG2 4.18Å; V228-T234 HydrophobicContact CG1-CG2 4.11Å; V228-T234 PolarHBondContact O-OG1 3.16Å; N231-T234 HydrophobicContact CB-CG2 4.2Å; N231-T234 PolarHBondContact O-N 3.22Å; N231-T234 PolarHBondContact O-OG1 3.43Å; T232-T234 VanDerWaalsContact C-N 3.29Å; T232-T234 PolarHBondContact O-N 2.96Å; T234-C238 WeakPolarHBondContact O-CB 3.23Å; T234-L239 WeakPolarHBondContact O-CD2 3.43Å; T234-L239 WeakPolarHBondContact O-CG 3.32Å
235Q69.8Low78.2Confident133 Ų13362.2 Ų62.262%0.62135%0.345SS*.  trans-79.3165.1178.1-65.4-176.98.300112.5T232 L233 S237T232-Q235 WeakPolarHBondContact O-CG 3.22Å; L233-Q235 VanDerWaalsContact C-N 3.32Å; L233-Q235 PolarHBondContact O-N 2.92Å; Q235-S237 PolarHBondContact O-N 3.4Å
236G74.1Confident78.1Confident53 Ų5358.7 Ų58.755%0.54634%0.34SS..THydrogen-bonded Turntrans69.2-12217500000114C238 L239G236-C238 PolarHBondContact O-N 3.29Å; G236-L239 WeakPolarHBondContact O-CB 3.47Å; G236-L239 PolarHBondContact O-N 2.8Å; G236-L239 VanDerWaalsContact O-N 3.09Å
237S70.3Confident78Confident68 Ų6859.6 Ų59.648%0.47634%0.339SS..Hα-helixtrans-62.5-25.3-176.152.50000113.9Q235 L239 S240 L241Q235-S237 PolarHBondContact O-N 3.4Å; S237-L239 VanDerWaalsContact C-N 3.35Å; S237-S240 PolarHBondContact O-N 3.31Å; S237-S240 PolarHBondContact O-OG 2.9Å; S237-L241 PolarHBondContact O-N 2.9Å
238C77.5Confident77.8Confident0 Ų053.5 Ų53.50%031%0.313CS..Hα-helixtrans-69.9-31.7175.3-62.50000112.2F211 T234 G236 L241 L242F211-C238 HydrophobicContact CD1-CB 3.73Å; F211-C238 HydrophobicContact CE1-CB 3.75Å; T234-C238 WeakPolarHBondContact O-CB 3.23Å; G236-C238 PolarHBondContact O-N 3.29Å; C238-L241 PolarHBondContact O-N 3.26Å; C238-L242 WeakPolarHBondContact O-CG 3.41Å; C238-L242 PolarHBondContact O-N 3.42Å
239L77.6Confident77.5Confident79 Ų7954.5 Ų54.541%0.41432%0.318SS..Hα-helixtrans-67.5-37.4176.7-67.7175.1000111.9L229 T234 G236 S237 L241 L242 S243L229-L239 HydrophobicContact CD2-CD2 4.15Å; T234-L239 WeakPolarHBondContact O-CD2 3.43Å; T234-L239 WeakPolarHBondContact O-CG 3.32Å; G236-L239 WeakPolarHBondContact O-CB 3.47Å; G236-L239 PolarHBondContact O-N 2.8Å; G236-L239 VanDerWaalsContact O-N 3.09Å; S237-L239 VanDerWaalsContact C-N 3.35Å; L239-L241 VanDerWaalsContact C-N 3.33Å; L239-L241 PolarHBondContact O-N 3.27Å; L239-L242 HydrophobicContact CD2-CD1 4.46Å; L239-L242 PolarHBondContact O-N 3.33Å; L239-S243 WeakPolarHBondContact O-CB 3.34Å; L239-S243 PolarHBondContact O-N 3.35Å
240S79.7Confident77.3Confident69 Ų6954.5 Ų54.548%0.48332%0.322SS..Hα-helixtrans-63.1-41174.541.80000111.6S237 S243 E244S237-S240 PolarHBondContact O-N 3.31Å; S237-S240 PolarHBondContact O-OG 2.9Å; S240-S243 PolarHBondContact O-N 2.95Å; S240-S243 PolarHBondContact O-OG 3.02Å; S240-E244 PolarHBondContact O-N 3.38Å
241L79.9Confident77Confident47 Ų4754.5 Ų54.525%0.24631%0.314CS..Hα-helixtrans-64.6-41.2175.7-69.5170.4000112F211 L216 S237 C238 L239 S243 E244 A245F211-L241 HydrophobicContact CD1-CD1 4.34Å; L216-L241 HydrophobicContact CD1-CB 4.03Å; S237-L241 PolarHBondContact O-N 2.9Å; C238-L241 PolarHBondContact O-N 3.26Å; L239-L241 VanDerWaalsContact C-N 3.33Å; L239-L241 PolarHBondContact O-N 3.27Å; L241-S243 VanDerWaalsContact C-N 3.35Å; L241-E244 PolarHBondContact O-N 3.45Å; L241-A245 WeakPolarHBondContact O-CB 3.38Å; L241-A245 PolarHBondContact O-N 2.91Å
242L80.8Confident76.4Confident4 Ų455.3 Ų55.32%0.02132%0.318CS..Hα-helixtrans-64.4-38.8175.1-75171.1000112.4F211 L216 I224 V228 L229 C238 L239 A245 T246F211-L242 HydrophobicContact CE1-CD2 4.44Å; F211-L242 HydrophobicContact CE1-CG 4.1Å; F211-L242 HydrophobicContact CZ-CD1 4.17Å; F211-L242 HydrophobicContact CZ-CD2 3.94Å; F211-L242 HydrophobicContact CZ-CG 3.95Å; L216-L242 HydrophobicContact CD1-CD2 4.29Å; L216-L242 HydrophobicContact CD2-CD2 4.31Å; I224-L242 HydrophobicContact CG2-CD2 4.02Å; V228-L242 HydrophobicContact CG1-CD1 4.05Å; V228-L242 HydrophobicContact CG1-CD2 4.01Å; L229-L242 HydrophobicContact CD2-CD1 3.97Å; C238-L242 WeakPolarHBondContact O-CG 3.41Å; C238-L242 PolarHBondContact O-N 3.42Å; L239-L242 HydrophobicContact CD2-CD1 4.46Å; L239-L242 PolarHBondContact O-N 3.33Å; L242-A245 PolarHBondContact O-N 2.81Å; L242-T246 WeakPolarHBondContact O-CB 3.25Å; L242-T246 PolarHBondContact O-N 2.99Å; L242-T246 PolarHBondContact O-OG1 3.19Å
243S79.4Confident76Confident72 Ų7257.3 Ų57.350%0.50332%0.324SS..Hα-helixtrans-64.7-41.3176.174.50000111.6L239 S240 L241 T246 K247L239-S243 WeakPolarHBondContact O-CB 3.34Å; L239-S243 PolarHBondContact O-N 3.35Å; S240-S243 PolarHBondContact O-N 2.95Å; S240-S243 PolarHBondContact O-OG 3.02Å; L241-S243 VanDerWaalsContact C-N 3.35Å; S243-T246 PolarHBondContact O-N 2.94Å; S243-K247 WeakPolarHBondContact O-CB 3.49Å; S243-K247 PolarHBondContact O-N 2.82Å
244E81.1Confident75.4Confident80 Ų8060.5 Ų60.537%0.37435%0.349SS..Hα-helixtrans-69.8-38.9176.9-169.660.2-160.800111.6S240 L241 K247 T248 L266S240-E244 PolarHBondContact O-N 3.38Å; L241-E244 PolarHBondContact O-N 3.45Å; E244-K247 PolarHBondContact O-N 2.85Å; E244-T248 WeakPolarHBondContact O-CB 3.21Å; E244-T248 PolarHBondContact O-N 2.73Å; E244-T248 PolarHBondContact O-OG1 2.95Å; E244-L266 HydrophobicContact CB-CD1 4.33Å; E244-L266 HydrophobicContact CG-CD1 4.2Å
245A81.4Confident74.6Confident0 Ų064.6 Ų64.60%037%0.37CS..Hα-helixtrans-61.6-45.5173.600000111.4L216 A217 L241 L242 K247 T248 I249 L266L216-A245 HydrophobicContact CB-CB 3.66Å; A217-A245 HydrophobicContact CB-CB 4.48Å; L241-A245 WeakPolarHBondContact O-CB 3.38Å; L241-A245 PolarHBondContact O-N 2.91Å; L242-A245 PolarHBondContact O-N 2.81Å; A245-K247 VanDerWaalsContact C-N 3.35Å; A245-K247 PolarHBondContact O-N 2.82Å; A245-T248 WeakPolarHBondContact O-CB 3.38Å; A245-T248 PolarHBondContact O-N 3.14Å; A245-I249 VanDerWaalsContact O-CG1 3.29Å; A245-I249 WeakPolarHBondContact O-CG1 3.44Å; A245-I249 PolarHBondContact O-N 3.2Å; A245-L266 HydrophobicContact CB-CD1 4.45Å
246T79.7Confident73.8Confident67 Ų6768.3 Ų68.341%0.41138%0.378SS..Hα-helixtrans-63.6-40.7178.5-52.90000111.8L242 S243 I249 T250L242-T246 WeakPolarHBondContact O-CB 3.25Å; L242-T246 PolarHBondContact O-N 2.99Å; L242-T246 PolarHBondContact O-OG1 3.19Å; S243-T246 PolarHBondContact O-N 2.94Å; T246-I249 PolarHBondContact O-N 2.69Å; T246-T250 PolarHBondContact O-N 3.35Å; T246-T250 PolarHBondContact O-OG1 3.2Å
247K81.2Confident72.8Confident109 Ų10969 Ų6947%0.47437%0.372SS..Hα-helixtrans-63.2-44173.8-176.9-175.6172.1-162.30111.3S243 E244 A245 T250 Q251S243-K247 WeakPolarHBondContact O-CB 3.49Å; S243-K247 PolarHBondContact O-N 2.82Å; E244-K247 PolarHBondContact O-N 2.85Å; A245-K247 VanDerWaalsContact C-N 3.35Å; A245-K247 PolarHBondContact O-N 2.82Å; K247-T250 PolarHBondContact O-N 2.99Å; K247-Q251 WeakPolarHBondContact O-CG 3.26Å; K247-Q251 PolarHBondContact O-N 2.86Å
248T78.1Confident72.1Confident5 Ų570.4 Ų70.43%0.03137%0.368CS..Hα-helixtrans-61.6-45.7176.9-57.20000111.2A217 E244 A245 T250 Q251 L252 N264 A267A217-T248 HydrophobicContact CB-CG2 4.44Å; E244-T248 WeakPolarHBondContact O-CB 3.21Å; E244-T248 PolarHBondContact O-N 2.73Å; E244-T248 PolarHBondContact O-OG1 2.95Å; A245-T248 WeakPolarHBondContact O-CB 3.38Å; A245-T248 PolarHBondContact O-N 3.14Å; T248-T250 VanDerWaalsContact C-N 3.3Å; T248-T250 PolarHBondContact O-N 3.24Å; T248-Q251 PolarHBondContact O-N 3.08Å; T248-L252 HydrophobicContact CG2-CD1 4Å; T248-L252 HydrophobicContact CG2-CG 4.38Å; T248-L252 WeakPolarHBondContact O-CG 3.47Å; T248-L252 PolarHBondContact O-N 2.77Å; T248-N264 WeakPolarHBondContact CG2-ND2 3.21Å; T248-N264 PolarHBondContact OG1-ND2 2.85Å; T248-A267 HydrophobicContact CG2-CB 3.86Å
249I77Confident71Confident21 Ų2173.8 Ų73.811%0.10839%0.386CS..Hα-helixtrans-54.7-48.6174.1-68.8163.9000110.3A217 V221 I224 A245 T246 Q251 L252 L253A217-I249 HydrophobicContact CB-CD1 4.42Å; A217-I249 HydrophobicContact CB-CG1 3.81Å; A217-I249 WeakPolarHBondContact O-CG1 3.4Å; V221-I249 HydrophobicContact CG2-CD1 4.39Å; V221-I249 HydrophobicContact CG2-CG2 4.26Å; I224-I249 HydrophobicContact CD1-CD1 4.16Å; A245-I249 VanDerWaalsContact O-CG1 3.29Å; A245-I249 WeakPolarHBondContact O-CG1 3.44Å; A245-I249 PolarHBondContact O-N 3.2Å; T246-I249 PolarHBondContact O-N 2.69Å; I249-Q251 VanDerWaalsContact C-N 3.31Å; I249-Q251 PolarHBondContact O-N 2.83Å; I249-L252 PolarHBondContact O-N 2.88Å; I249-L253 HydrophobicContact CG2-CD1 3.9Å; I249-L253 HydrophobicContact CG2-CG 4.42Å; I249-L253 VanDerWaalsContact O-CG 3.31Å; I249-L253 WeakPolarHBondContact O-CG 3.48Å; I249-L253 PolarHBondContact O-N 3.45Å
250T74.1Confident69.9Low87 Ų8773.8 Ų73.853%0.53439%0.389SS..Hα-helixtrans-63.8-37.2-179-51.80000111.9T246 K247 T248 S254T246-T250 PolarHBondContact O-N 3.35Å; T246-T250 PolarHBondContact O-OG1 3.2Å; K247-T250 PolarHBondContact O-N 2.99Å; T248-T250 VanDerWaalsContact C-N 3.3Å; T248-T250 PolarHBondContact O-N 3.24Å; T250-S254 PolarHBondContact O-N 2.8Å; T250-S254 PolarHBondContact O-OG 2.98Å
251Q73.1Confident68.9Low88 Ų8870.7 Ų70.741%0.41137%0.368SS..Hα-helixtrans-67.1-41.8174.7-73.9175.9-20.700112.3K247 T248 I249 L253 S254 I255K247-Q251 WeakPolarHBondContact O-CG 3.26Å; K247-Q251 PolarHBondContact O-N 2.86Å; T248-Q251 PolarHBondContact O-N 3.08Å; I249-Q251 VanDerWaalsContact C-N 3.31Å; I249-Q251 PolarHBondContact O-N 2.83Å; Q251-L253 VanDerWaalsContact C-N 3.34Å; Q251-L253 PolarHBondContact O-N 2.79Å; Q251-S254 WeakPolarHBondContact CA-OG 3.43Å; Q251-S254 PolarHBondContact O-N 2.91Å; Q251-S254 VanDerWaalsContact O-N 3.16Å; Q251-S254 PolarHBondContact O-OG 2.8Å; Q251-I255 PolarHBondContact O-N 2.86Å
252L69.3Low68Low53 Ų5368.8 Ų68.828%0.27736%0.359SS..Hα-helixtrans-67.2-34.9177.7-69.3171.5000112.6T248 I249 S254 A267T248-L252 HydrophobicContact CG2-CD1 4Å; T248-L252 HydrophobicContact CG2-CG 4.38Å; T248-L252 WeakPolarHBondContact O-CG 3.47Å; T248-L252 PolarHBondContact O-N 2.77Å; I249-L252 PolarHBondContact O-N 2.88Å; L252-S254 PolarHBondContact O-N 3.29Å; L252-A267 HydrophobicContact CD1-CB 3.65Å
253L67.1Low67.3Low147 Ų14770.8 Ų70.877%0.7737%0.373SS*.Hα-helixtrans-70-22.2174.1-68.4171.8000112.9I249 Q251I249-L253 HydrophobicContact CG2-CD1 3.9Å; I249-L253 HydrophobicContact CG2-CG 4.42Å; I249-L253 VanDerWaalsContact O-CG 3.31Å; I249-L253 WeakPolarHBondContact O-CG 3.48Å; I249-L253 PolarHBondContact O-N 3.45Å; Q251-L253 VanDerWaalsContact C-N 3.34Å; Q251-L253 PolarHBondContact O-N 2.79Å
254S61.3Low67.1Low88 Ų8869.3 Ų69.362%0.61536%0.359SS*.Hα-helixtrans-100.5-22.9-176.549.90000114.4T250 Q251 L252T250-S254 PolarHBondContact O-N 2.8Å; T250-S254 PolarHBondContact O-OG 2.98Å; Q251-S254 WeakPolarHBondContact CA-OG 3.43Å; Q251-S254 PolarHBondContact O-N 2.91Å; Q251-S254 VanDerWaalsContact O-N 3.16Å; Q251-S254 PolarHBondContact O-OG 2.8Å; L252-S254 PolarHBondContact O-N 3.29Å
255I54.9Low66.8Low87 Ų8770 Ų7045%0.44637%0.37SS..SBendtrans-116.2105.9-178.1-58.1173.8000109.6Q251Q251-I255 PolarHBondContact O-N 2.86Å
256R53.2Low66.8Low211 Ų21170.8 Ų70.880%0.79638%0.375SS*.SBendtrans-77.8110.5151.2-76-169.8172.6-169.9-1.6106
257P52.7Low66.8Low66 Ų6667.8 Ų67.843%0.42936%0.357SS..  cis-120.415249.621.7-2.8000115.5L259P257-L259 HydrophobicContact CB-CD1 4.4Å; P257-L259 HydrophobicContact CB-CG 4.24Å; P257-L259 PolarHBondContact O-N 2.85Å
258Y54.2Low66.9Low98 Ų9864.5 Ų64.538%0.38434%0.341SS..THydrogen-bonded Turntrans-54.7-5.8177.4-56.5-88.6000116.1T260 G261Y258-T260 PolarHBondContact O-N 2.87Å; Y258-G261 PolarHBondContact O-N 2.82Å
259L55.6Low67.3Low71 Ų7164.8 Ų64.837%0.37234%0.343SS..Hα-helixtrans-68-34.2-174.1-61.5177.9000113.4P257 G261 V262 I566P257-L259 HydrophobicContact CB-CD1 4.4Å; P257-L259 HydrophobicContact CB-CG 4.24Å; P257-L259 PolarHBondContact O-N 2.85Å; L259-G261 VanDerWaalsContact C-N 3.28Å; L259-G261 PolarHBondContact O-N 2.83Å; L259-V262 PolarHBondContact O-N 3.37Å; L259-I566 HydrophobicContact CD2-CD1 3.01Å; L259-I566 HydrophobicContact CD2-CG1 4.41Å
260T53.5Low67.8Low79 Ų7964.1 Ų64.149%0.48534%0.339SS..Hα-helixtrans-67.9-29-177.950.30000112.6Y258 N264Y258-T260 PolarHBondContact O-N 2.87Å; T260-N264 PolarHBondContact O-N 3.04Å
261G58.8Low68.5Low5 Ų560.7 Ų60.75%0.05232%0.318CS..Hα-helixtrans-70-31.417800000113.2Y258 L259 N264 A267 R268Y258-G261 PolarHBondContact O-N 2.82Å; L259-G261 VanDerWaalsContact C-N 3.28Å; L259-G261 PolarHBondContact O-N 2.83Å; G261-N264 PolarHBondContact O-N 3.22Å; G261-A267 CarbonylContact O-C 3.46Å; G261-R268 WeakPolarHBondContact O-CA 3.33Å; G261-R268 PolarHBondContact O-N 2.82Å; G261-R268 VanDerWaalsContact O-N 3.13Å
262V61.6Low69.3Low6 Ų657 Ų574%0.03630%0.301CS..Hα-helixtrans-70.3-35.2-180-175.80000111.5L259 R268 A298 I566 R568L259-V262 PolarHBondContact O-N 3.37Å; V262-R268 WeakPolarHBondContact O-CB 3.32Å; V262-R268 WeakPolarHBondContact O-CG 3.5Å; V262-R268 PolarHBondContact O-NE 3.34Å; V262-A298 HydrophobicContact CG2-CB 4.42Å; V262-I566 HydrophobicContact CB-CG2 4.46Å; V262-I566 HydrophobicContact CG1-CG2 3.83Å; V262-I566 HydrophobicContact CG2-CG2 3.95Å; V262-R568 HydrophobicContact CG1-CB 4.27Å; V262-R568 HydrophobicContact CG1-CG 3.97Å
263C66.1Low70.2Confident47 Ų4757 Ų5732%0.31830%0.304SS..Hα-helixtrans-76.6-27.6179.4-60.50000112.8P265C263-P265 WeakPolarHBondContact O-CD 3.3Å
264N75.2Confident71.5Confident40 Ų4050.2 Ų50.221%0.21427%0.269CS..SBendtrans-83.3118.7-179.8-173.8-26.6000110.7T248 T260 G261 L266 A267 R268T248-N264 WeakPolarHBondContact CG2-ND2 3.21Å; T248-N264 PolarHBondContact OG1-ND2 2.85Å; T260-N264 PolarHBondContact O-N 3.04Å; G261-N264 PolarHBondContact O-N 3.22Å; N264-L266 PolarHBondContact O-N 3.2Å; N264-L266 WeakPolarHBondContact OD1-CB 3.3Å; N264-L266 PolarHBondContact OD1-N 2.93Å; N264-A267 HydrophobicContact CB-CB 4.42Å; N264-A267 CarbonylContact O-C 3.45Å; N264-A267 PolarHBondContact O-N 2.91Å; N264-R268 WeakPolarHBondContact O-CB 3.47Å; N264-R268 PolarHBondContact O-N 3.38Å
265P75.6Confident73.1Confident95 Ų9546 Ų4662%0.61724%0.239SC*.THydrogen-bonded Turntrans-54.8-29.9-179.8-26.335.1000114.8C263 A267C263-P265 WeakPolarHBondContact O-CD 3.3Å; P265-A267 VanDerWaalsContact C-N 3.35Å
266L79.8Confident75.2Confident17 Ų1741.9 Ų41.99%0.08922%0.218CC..THydrogen-bonded Turntrans-74.8-24.5179.9-64.3175.9000113.3R215 L216 A217 E244 A245 N264R215-L266 CarbonylContact C-O 3.17Å; R215-L266 WeakPolarHBondContact CA-O 3.44Å; L216-L266 HydrophobicContact CD1-CD2 4.33Å; L216-L266 PolarHBondContact N-O 3.15Å; A217-L266 VanDerWaalsContact CB-O 3.25Å; A217-L266 WeakPolarHBondContact CB-O 3.39Å; A217-L266 PolarHBondContact N-O 3.45Å; E244-L266 HydrophobicContact CB-CD1 4.33Å; E244-L266 HydrophobicContact CG-CD1 4.2Å; A245-L266 HydrophobicContact CB-CD1 4.45Å; N264-L266 PolarHBondContact O-N 3.2Å; N264-L266 WeakPolarHBondContact OD1-CB 3.3Å; N264-L266 PolarHBondContact OD1-N 2.93Å
267A79.9Confident77.3Confident4 Ų431.9 Ų31.93%0.03318%0.181CC..THydrogen-bonded Turntrans-115.6-4.5-176.700000113.6A217 T248 L252 G261 N264 P265 P269A217-A267 HydrophobicContact CB-CB 3.75Å; T248-A267 HydrophobicContact CG2-CB 3.86Å; L252-A267 HydrophobicContact CD1-CB 3.65Å; G261-A267 CarbonylContact O-C 3.46Å; N264-A267 HydrophobicContact CB-CB 4.42Å; N264-A267 CarbonylContact O-C 3.45Å; N264-A267 PolarHBondContact O-N 2.91Å; P265-A267 VanDerWaalsContact C-N 3.35Å; A267-P269 VanDerWaalsContact O-CD 3.31Å; A267-P269 WeakPolarHBondContact O-CD 3.4Å
268R83.4Confident79.5Confident39 Ų3928.8 Ų28.815%0.14716%0.16CC..PPolyproline II helixtrans-66.6117.8-179.4178.8-176-70-168.2-1.6109.6R215 G261 V262 N264 R568 D569R215-R268 WeakPolarHBondContact CD-O 3.45Å; R215-R268 PolarHBondContact NH1-O 3.24Å; G261-R268 WeakPolarHBondContact O-CA 3.33Å; G261-R268 PolarHBondContact O-N 2.82Å; G261-R268 VanDerWaalsContact O-N 3.13Å; V262-R268 WeakPolarHBondContact O-CB 3.32Å; V262-R268 WeakPolarHBondContact O-CG 3.5Å; V262-R268 PolarHBondContact O-NE 3.34Å; N264-R268 WeakPolarHBondContact O-CB 3.47Å; N264-R268 PolarHBondContact O-N 3.38Å; R268-R568 PolarHBondContact NH2-O 2.85Å; R268-D569 IonicContact CZ-OD1 2.71Å; R268-D569 IonicContact NH1-OD1 2.81Å; R268-D569 PolarHBondContact NH1-OD1 3.13Å; R268-D569 IonicContact NH2-OD1 3.52Å; R268-D569 PolarHBondContact NH2-OD1 2.94Å
269P86.4Confident81.5Confident12 Ų1224.5 Ų24.58%0.07814%0.144CC..PPolyproline II helixtrans-70.2151.3176.726.4-30.8000112.2R215 L218 A267 R297 A298 R568R215-P269 PolarHBondContact NH1-O 3.33Å; L218-P269 HydrophobicContact CD1-CB 4.27Å; A267-P269 VanDerWaalsContact O-CD 3.31Å; A267-P269 WeakPolarHBondContact O-CD 3.4Å; P269-R297 HydrophobicContact CB-CB 3.88Å; P269-R297 WeakPolarHBondContact CB-O 3.28Å; P269-A298 HydrophobicContact CG-CB 3.83Å; P269-R568 PolarHBondContact O-NH1 2.85Å; P269-R568 PolarHBondContact O-NH2 2.65Å
270R88.4Confident83.5Confident6 Ų621.2 Ų21.22%0.02313%0.128CC..PPolyproline II helixtrans-63161.8174.2-72.9-171.1-165.9-82.9-2.6110.6I175 T177 L180 E185 R215 R297 R568I175-R270 PolarHBondContact O-NH1 2.87Å; I175-R270 PolarHBondContact O-NH2 3.44Å; T177-R270 PolarHBondContact O-NH1 2.84Å; L180-R270 VanDerWaalsContact CD2-CZ 3.44Å; L180-R270 WeakPolarHBondContact O-CD 3.21Å; E185-R270 IonicContact OE1-CZ 2.67Å; E185-R270 IonicContact OE1-NE 3.05Å; E185-R270 PolarHBondContact OE1-NE 2.76Å; E185-R270 IonicContact OE1-NH2 3.59Å; E185-R270 PolarHBondContact OE1-NH2 3.28Å; E185-R270 IonicContact OE2-CZ 2.69Å; E185-R270 IonicContact OE2-NE 3.69Å; E185-R270 IonicContact OE2-NH2 3.72Å; E185-R270 PolarHBondContact OE2-NH2 3.47Å; R215-R270 VanDerWaalsContact NE-CZ 3.3Å; R215-R270 VanDerWaalsContact NH1-CA 3.27Å; R270-R297 WeakPolarHBondContact O-CD 3.45Å; R270-R568 PolarHBondContact O-NH2 3.07Å
271L88.8Confident85.5Confident16 Ų1617.5 Ų17.58%0.08410%0.104CC..PPolyproline II helixtrans-66.2136.6174.8-77.3163.5000110D178 N179 R297 P562 V565 R568D178-L271 HydrophobicContact CB-CD1 3.98Å; D178-L271 HydrophobicContact CB-CG 4.15Å; D178-L271 PolarHBondContact O-N 2.89Å; N179-L271 WeakPolarHBondContact OD1-CD1 3.35Å; L271-R297 VanDerWaalsContact O-CZ 3.23Å; L271-R297 PolarHBondContact O-NH1 2.82Å; L271-P562 HydrophobicContact CD1-CG 4.15Å; L271-V565 HydrophobicContact CD2-CB 4.45Å; L271-V565 HydrophobicContact CD2-CG1 4.1Å; L271-V565 HydrophobicContact CD2-CG2 3.64Å; L271-R568 VanDerWaalsContact CD2-CZ 3.43Å
272P89.6Confident87.3Confident9 Ų920.2 Ų20.26%0.05811%0.113CC..PPolyproline II helixtrans-70.2150178.231.2-36.2000111.1G274 I275 V296 R297 V565P272-G274 VanDerWaalsContact C-N 3.3Å; P272-I275 HydrophobicContact CG-CD1 4.43Å; P272-I275 HydrophobicContact CG-CG1 3.82Å; P272-V296 HydrophobicContact CB-CG2 3.76Å; P272-R297 HydrophobicContact CB-CG 4.16Å; P272-V565 HydrophobicContact CG-CG1 4.03Å
273T89.2Confident88.9Confident55 Ų5521.6 Ų21.634%0.33712%0.123SC..SBendtrans-73.1-25.2177.153.60000113.2I181 E509 A556I181-T273 HydrophobicContact CB-CG2 4.32Å; I181-T273 HydrophobicContact CD1-CG2 3.58Å; I181-T273 HydrophobicContact CG1-CG2 3.75Å; I181-T273 HydrophobicContact CG2-CG2 3.59Å; T273-E509 PolarHBondContact N-OE1 2.7Å; T273-E509 VanDerWaalsContact OG1-CG 3.32Å; T273-E509 WeakPolarHBondContact OG1-CG 3.26Å; T273-E509 PolarHBondContact OG1-OE1 2.8Å; T273-A556 WeakPolarHBondContact O-CB 3.4Å
274G93.4Very high89.9Confident3 Ų323.3 Ų23.33%0.03115%0.149CC..EExtended strand (participates in β ladder)trans-144.3148.1174.200000110.5P272 I555P272-G274 VanDerWaalsContact C-N 3.3Å; G274-I555 CarbonylContact C-O 3.52Å; G274-I555 VanDerWaalsContact CA-O 3.24Å; G274-I555 WeakPolarHBondContact CA-O 3.47Å
275I95.9Very high90.4Very high0 Ų024.1 Ų24.10%017%0.167CC..EExtended strand (participates in β ladder)trans-115126.9179.7-68.1167.9000108.2P272 L277 A293 V554 I555 M561 V565P272-I275 HydrophobicContact CG-CD1 4.43Å; P272-I275 HydrophobicContact CG-CG1 3.82Å; I275-L277 HydrophobicContact CG2-CD2 4.2Å; I275-L277 PolarHBondContact O-N 2.6Å; I275-A293 HydrophobicContact CG2-CB 3.75Å; I275-V554 WeakPolarHBondContact O-CA 3.42Å; I275-I555 HydrophobicContact CB-CD1 4.24Å; I275-I555 HydrophobicContact CB-CG1 3.8Å; I275-I555 HydrophobicContact CG2-CD1 4.44Å; I275-I555 HydrophobicContact CG2-CG1 4.36Å; I275-I555 PolarHBondContact N-O 3.41Å; I275-I555 PolarHBondContact O-N 3.37Å; I275-M561 HydrophobicContact CB-CE 4.09Å; I275-M561 HydrophobicContact CD1-CB 4.46Å; I275-M561 HydrophobicContact CD1-CE 3.42Å; I275-M561 VanDerWaalsContact CD1-CE 3.42Å; I275-M561 HydrophobicContact CD1-SD 3.95Å; I275-M561 HydrophobicContact CG1-CE 3.48Å; I275-M561 VanDerWaalsContact CG1-CE 3.48Å; I275-M561 HydrophobicContact CG1-SD 4.5Å; I275-V565 HydrophobicContact CD1-CG1 3.67Å; I275-V565 HydrophobicContact CG1-CG1 4.34Å
276L97.8Very high91.3Very high0 Ų019.8 Ų19.80%014%0.139CC..EExtended strand (participates in β ladder)trans-79.5119.5177177.161.2000109A293 Y294 W301 E506 V508 F513 V515 C552 V554L276-A293 WeakPolarHBondContact O-CA 3.26Å; L276-Y294 HydrophobicContact CB-CD1 4.39Å; L276-Y294 HydrophobicContact CD2-CD1 4.29Å; L276-Y294 PolarHBondContact N-O 3.4Å; L276-Y294 PolarHBondContact O-N 3.38Å; L276-W301 HydrophobicContact CD2-CH2 4.34Å; L276-W301 HydrophobicContact CG-CH2 4.47Å; L276-E506 HydrophobicContact CD1-CB 3.65Å; L276-E506 HydrophobicContact CD1-CG 4.03Å; L276-V508 HydrophobicContact CB-CG2 4Å; L276-V508 HydrophobicContact CD1-CG2 4.37Å; L276-F513 HydrophobicContact CD2-CB 3.87Å; L276-F513 HydrophobicContact CD2-CG 4.15Å; L276-V515 HydrophobicContact CD2-CG2 3.78Å; L276-C552 HydrophobicContact CD1-CB 3.87Å; L276-V554 HydrophobicContact CD1-CG2 4.23Å
277L98Very high92.1Very high2 Ų219.5 Ų19.51%0.0114%0.138CC..EExtended strand (participates in β ladder)trans-95.7138.6170.9-59.6-174.2000109.8I275 I279 E292 A293 V324 C552 C553 I555 Y564I275-L277 HydrophobicContact CG2-CD2 4.2Å; I275-L277 PolarHBondContact O-N 2.6Å; L277-I279 HydrophobicContact CB-CD1 4.04Å; L277-I279 HydrophobicContact CB-CG1 4.11Å; L277-I279 HydrophobicContact CD1-CD1 4.25Å; L277-E292 WeakPolarHBondContact CA-O 3.46Å; L277-A293 HydrophobicContact CD2-CB 3.52Å; L277-V324 HydrophobicContact CD1-CG2 4.1Å; L277-C552 WeakPolarHBondContact O-CA 3.26Å; L277-C553 PolarHBondContact N-O 2.76Å; L277-C553 PolarHBondContact O-N 3.09Å; L277-I555 HydrophobicContact CD1-CD1 4.23Å; L277-I555 HydrophobicContact CD1-CG1 4.45Å; L277-I555 HydrophobicContact CD1-CG2 3.55Å; L277-I555 HydrophobicContact CD2-CD1 4.13Å; L277-I555 HydrophobicContact CG-CD1 4.31Å; L277-I555 HydrophobicContact CG-CG1 4.32Å; L277-I555 HydrophobicContact CG-CG2 4.13Å; L277-Y564 HydrophobicContact CD2-CD1 4.35Å
278A98.1Very high92.8Very high0 Ų020.6 Ų20.60%014%0.144CC..EExtended strand (participates in β ladder)trans-116.7113.3168.600000108.2I291 E292 W301 V515 M543 R547 V550A278-I291 WeakPolarHBondContact O-CA 3.28Å; A278-E292 PolarHBondContact N-O 3.43Å; A278-E292 PolarHBondContact O-N 2.72Å; A278-W301 HydrophobicContact CB-CH2 3.82Å; A278-W301 HydrophobicContact CB-CZ3 3.59Å; A278-V515 HydrophobicContact CB-CG1 4Å; A278-M543 HydrophobicContact CB-SD 3.98Å; A278-R547 PolarHBondContact O-NH2 3.36Å; A278-V550 HydrophobicContact CB-CG2 3.94Å
279I97.3Very high93.3Very high9 Ų920.6 Ų20.65%0.04615%0.147CC..EExtended strand (participates in β ladder)trans-117.7131.3-165.9-62.7163.9000110.3L277 I291 H315 T317 V324 S551L277-I279 HydrophobicContact CB-CD1 4.04Å; L277-I279 HydrophobicContact CB-CG1 4.11Å; L277-I279 HydrophobicContact CD1-CD1 4.25Å; I279-I291 HydrophobicContact CG1-CG1 4.29Å; I279-I291 HydrophobicContact CG1-CG2 3.85Å; I279-I291 HydrophobicContact CG2-CG1 4.34Å; I279-H315 PolarHBondContact O-CE1 2.81Å; I279-H315 VanDerWaalsContact O-CE1 3.24Å; I279-H315 PolarHBondContact O-NE2 2.85Å; I279-T317 HydrophobicContact CB-CG2 4.02Å; I279-T317 HydrophobicContact CD1-CG2 3.86Å; I279-T317 HydrophobicContact CG2-CG2 4.1Å; I279-V324 HydrophobicContact CD1-CG1 3.73Å; I279-S551 PolarHBondContact N-O 3.16Å; I279-S551 PolarHBondContact O-N 2.84Å
280G96.4Very high93.7Very high2 Ų220.1 Ų20.12%0.02115%0.145CC..  trans59-137.1173.400000113.2T288 G290 R547G280-T288 WeakPolarHBondContact CA-O 3.46Å; G280-T288 WeakPolarHBondContact O-CG2 3.29Å; G280-G290 PolarHBondContact N-O 2.68Å; G280-R547 WeakPolarHBondContact O-CD 3.41Å
281G96.8Very high94.1Very high0 Ų020 Ų200%015%0.145CC..  trans96.7-168.4-178.800000113.1P287 T288 R312 S548 A549G281-P287 CarbonylContact O-C 3.54Å; G281-P287 WeakPolarHBondContact O-CA 3.38Å; G281-T288 WeakPolarHBondContact O-CG2 3.31Å; G281-T288 PolarHBondContact O-N 2.86Å; G281-R312 PolarHBondContact N-O 2.84Å; G281-S548 CarbonylContact C-O 3.49Å; G281-S548 VanDerWaalsContact CA-O 3.27Å; G281-S548 WeakPolarHBondContact CA-O 3.46Å; G281-A549 VanDerWaalsContact CA-O 3.29Å; G281-A549 WeakPolarHBondContact CA-O 3.48Å
282W96.3Very high94.5Very high63 Ų6319.7 Ų19.724%0.23914%0.143CC..EExtended strand (participates in β ladder)trans-115.9118.6-173.4-167.9-74.6000110.8G285 G286 A313 Y314 F330 R332 T523 R547 S548 A549W282-G285 WeakPolarHBondContact CZ2-O 3.46Å; W282-G286 CarbonylContact C-O 3.59Å; W282-G286 WeakPolarHBondContact CA-O 3.4Å; W282-A313 HydrophobicContact CB-CB 4.21Å; W282-A313 HydrophobicContact CE3-CB 3.98Å; W282-Y314 HydrophobicContact CE3-CE2 4.07Å; W282-Y314 HydrophobicContact CZ3-CE2 4.48Å; W282-F330 HydrophobicContact CZ3-CD1 4.44Å; W282-R332 HydrophobicContact CH2-CG 3.88Å; W282-R332 HydrophobicContact CZ3-CG 4.14Å; W282-T523 WeakPolarHBondContact O-CG2 3.4Å; W282-R547 WeakPolarHBondContact O-CA 3.36Å; W282-R547 WeakPolarHBondContact O-CB 3.12Å; W282-S548 PolarHBondContact N-O 2.71Å; W282-S548 PolarHBondContact O-N 3.04Å; W282-A549 HydrophobicContact CB-CB 4.26Å
283S94.8Very high94.9Very high35 Ų3519.2 Ų19.225%0.24514%0.14CC..EExtended strand (participates in β ladder)trans-140.5143.8-178.1-169.70000111G285 G286 F546S283-G285 PolarHBondContact O-N 2.8Å; S283-G286 PolarHBondContact N-O 3.23Å; S283-G286 PolarHBondContact O-N 3.44Å; S283-F546 WeakPolarHBondContact CB-O 3.11Å; S283-F546 PolarHBondContact OG-O 2.66Å
284G86.2Confident95.2Very high83 Ų8316.8 Ų16.886%0.85612%0.124SC*.THydrogen-bonded Turntrans57.329.3171.900000115.4
285G87.1Confident95.1Very high57 Ų5716.7 Ų16.759%0.58812%0.123SC*.THydrogen-bonded Turntrans89.48.9-178.400000115.2W282 S283W282-G285 WeakPolarHBondContact CZ2-O 3.46Å; S283-G285 PolarHBondContact O-N 2.8Å
286G94.1Very high94.8Very high4 Ų417.2 Ų17.24%0.04113%0.126CC..EExtended strand (participates in β ladder)trans-158167.4-179.300000116.6W282 S283W282-G286 CarbonylContact C-O 3.59Å; W282-G286 WeakPolarHBondContact CA-O 3.4Å; S283-G286 PolarHBondContact N-O 3.23Å; S283-G286 PolarHBondContact O-N 3.44Å
287P96Very high94.4Very high11 Ų1119.8 Ų19.87%0.07114%0.136CC..EExtended strand (participates in β ladder)trans-58.5146.4165.626-37.8000112G281 P311 A313 D331 R332G281-P287 CarbonylContact O-C 3.54Å; G281-P287 WeakPolarHBondContact O-CA 3.38Å; P287-P311 HydrophobicContact CB-CB 3.97Å; P287-P311 HydrophobicContact CG-CB 4.26Å; P287-P311 WeakPolarHBondContact O-CB 3.45Å; P287-A313 HydrophobicContact CB-CB 4.18Å; P287-D331 WeakPolarHBondContact CG-O 3.33Å; P287-R332 VanDerWaalsContact CD-CZ 3.41Å; P287-R332 HydrophobicContact CG-CG 4.25Å
288T95.2Very high93.8Very high26 Ų2620.1 Ų20.116%0.1614%0.139CC..  trans-120.6157.8171.5-178.80000110.2G280 G281 G290 R312G280-T288 WeakPolarHBondContact CA-O 3.46Å; G280-T288 WeakPolarHBondContact O-CG2 3.29Å; G281-T288 WeakPolarHBondContact O-CG2 3.31Å; G281-T288 PolarHBondContact O-N 2.86Å; T288-G290 PolarHBondContact OG1-N 2.73Å; T288-R312 PolarHBondContact O-N 2.87Å; T288-R312 VanDerWaalsContact O-N 3.14Å
289N94.2Very high93.4Very high39 Ų3921.7 Ų21.721%0.20915%0.148CC..  trans-106.210168.961.4-15000111.8I291 E309 P311N289-I291 PolarHBondContact O-N 3.43Å; N289-E309 PolarHBondContact ND2-O 3.08Å; N289-P311 HydrophobicContact CB-CG 4.37Å
290G95.3Very high93Very high2 Ų221.9 Ų21.92%0.02115%0.149CC..  trans-56.2136.3179.900000111.9G280 T288 T305G280-G290 PolarHBondContact N-O 2.68Å; T288-G290 PolarHBondContact OG1-N 2.73Å; G290-T305 WeakPolarHBondContact CA-OG1 3.47Å
291I96.3Very high92.9Very high5 Ų523.2 Ų23.23%0.02615%0.154CC..EExtended strand (participates in β ladder)trans-122.6121.2172.3-50175.8000107.4A278 I279 N289 N303 V304 T305 W349A278-I291 WeakPolarHBondContact O-CA 3.28Å; I279-I291 HydrophobicContact CG1-CG1 4.29Å; I279-I291 HydrophobicContact CG1-CG2 3.85Å; I279-I291 HydrophobicContact CG2-CG1 4.34Å; N289-I291 PolarHBondContact O-N 3.43Å; I291-N303 PolarHBondContact O-OD1 3.46Å; I291-V304 HydrophobicContact CB-CG2 4Å; I291-V304 HydrophobicContact CG2-CG2 3.53Å; I291-V304 PolarHBondContact O-N 3.13Å; I291-T305 PolarHBondContact N-OG1 3.43Å; I291-T305 PolarHBondContact O-N 3.06Å; I291-T305 PolarHBondContact O-OG1 3.29Å; I291-W349 HydrophobicContact CD1-CZ2 3.92Å
292E97.2Very high92.7Very high8 Ų824.5 Ų24.54%0.03716%0.161CC..EExtended strand (participates in β ladder)trans-116.6134.7171.9-62.9173.597.700109L277 A278 W301 I302 G544 I545 R547L277-E292 WeakPolarHBondContact CA-O 3.46Å; A278-E292 PolarHBondContact N-O 3.43Å; A278-E292 PolarHBondContact O-N 2.72Å; E292-W301 HydrophobicContact CB-CD2 4.42Å; E292-W301 HydrophobicContact CB-CE3 3.5Å; E292-W301 VanDerWaalsContact CB-CE3 3.5Å; E292-W301 HydrophobicContact CB-CZ3 4.04Å; E292-W301 WeakPolarHBondContact O-CZ3 3.05Å; E292-I302 CarbonylContact C-O 3.52Å; E292-I302 WeakPolarHBondContact CA-O 3.29Å; E292-G544 VanDerWaalsContact OE1-CA 3.26Å; E292-G544 WeakPolarHBondContact OE1-CA 3.35Å; E292-G544 PolarHBondContact OE1-N 2.88Å; E292-I545 HydrophobicContact CG-CD1 4.44Å; E292-I545 PolarHBondContact OE1-N 2.89Å; E292-I545 WeakPolarHBondContact OE2-CB 3.2Å; E292-I545 WeakPolarHBondContact OE2-CG1 3.32Å; E292-I545 PolarHBondContact OE2-N 2.81Å; E292-R547 IonicContact OE2-CZ 3.89Å; E292-R547 IonicContact OE2-NH1 2.72Å; E292-R547 PolarHBondContact OE2-NH1 3.33Å; E292-R547 IonicContact OE2-NH2 2.66Å; E292-R547 PolarHBondContact OE2-NH2 2.74Å
293A96.9Very high92.6Very high0 Ų026.5 Ų26.50%018%0.176CC..EExtended strand (participates in β ladder)trans-106.9131.2177.800000109.3I275 L276 L277 W301 I302 V304 Y564I275-A293 HydrophobicContact CG2-CB 3.75Å; L276-A293 WeakPolarHBondContact O-CA 3.26Å; L277-A293 HydrophobicContact CD2-CB 3.52Å; A293-W301 CarbonylContact O-C 3.1Å; A293-W301 WeakPolarHBondContact O-CA 2.99Å; A293-I302 HydrophobicContact CB-CD1 4.37Å; A293-I302 HydrophobicContact CB-CG1 3.85Å; A293-I302 PolarHBondContact N-O 3.32Å; A293-I302 PolarHBondContact O-N 3.19Å; A293-V304 HydrophobicContact CB-CG1 4.13Å; A293-V304 HydrophobicContact CB-CG2 3.97Å; A293-Y564 HydrophobicContact CB-CD1 4.24Å
294Y95.8Very high92.5Very high3 Ų326.5 Ų26.51%0.01218%0.175CC..EExtended strand (participates in β ladder)trans-108.4119.2-176.7-179.8-113.4000111.2L276 V296 D299 C300 W301 F513 V540 C541L276-Y294 HydrophobicContact CB-CD1 4.39Å; L276-Y294 HydrophobicContact CD2-CD1 4.29Å; L276-Y294 PolarHBondContact N-O 3.4Å; L276-Y294 PolarHBondContact O-N 3.38Å; Y294-V296 HydrophobicContact CD1-CG1 3.68Å; Y294-V296 HydrophobicContact CE1-CB 4.2Å; Y294-V296 HydrophobicContact CE1-CG1 3.71Å; Y294-V296 PolarHBondContact O-N 3.3Å; Y294-D299 PolarHBondContact OH-OD1 2.89Å; Y294-C300 WeakPolarHBondContact CA-O 3.3Å; Y294-C300 VanDerWaalsContact CD2-O 3.3Å; Y294-C300 WeakPolarHBondContact CD2-O 3.27Å; Y294-W301 AromaticContact CD2-CD1 3.59Å; Y294-W301 AromaticContact CD2-CD2 3.76Å; Y294-W301 HydrophobicContact CD2-CD2 3.76Å; Y294-W301 AromaticContact CD2-CE2 3.4Å; Y294-W301 VanDerWaalsContact CD2-CE2 3.4Å; Y294-W301 AromaticContact CD2-CG 3.87Å; Y294-W301 HydrophobicContact CD2-CG 3.87Å; Y294-W301 AromaticContact CD2-CZ2 3.92Å; Y294-W301 HydrophobicContact CD2-CZ2 3.92Å; Y294-W301 AromaticContact CD2-NE1 3.28Å; Y294-W301 VanDerWaalsContact CD2-NE1 3.28Å; Y294-W301 AromaticContact CE2-NE1 3.71Å; Y294-W301 HydrophobicContact CG-CD2 4.12Å; Y294-W301 AromaticContact CG-CE2 3.76Å; Y294-W301 HydrophobicContact CG-CE3 4.46Å; Y294-W301 HydrophobicContact CG-CH2 4.24Å; Y294-W301 AromaticContact CG-CZ2 3.82Å; Y294-W301 HydrophobicContact CG-CZ2 3.82Å; Y294-F513 HydrophobicContact CD1-CE1 4.46Å; Y294-F513 HydrophobicContact CE1-CD1 4.16Å; Y294-F513 AromaticContact CE1-CE1 3.6Å; Y294-F513 HydrophobicContact CE1-CE1 3.6Å; Y294-F513 HydrophobicContact CE1-CZ 4.19Å; Y294-V540 WeakPolarHBondContact OH-CB 3.27Å; Y294-C541 HydrophobicContact CE2-CB 4.3Å
295D92.1Very high92.7Very high1 Ų124.2 Ų24.21%0.00514%0.144CC..EExtended strand (participates in β ladder)trans-83.7104.2170.2-176.1-23.8000108.5R297 A298 D299 C300 V565 R568D295-R297 PolarHBondContact O-N 3.11Å; D295-R297 PolarHBondContact OD1-N 3.1Å; D295-A298 HydrophobicContact CB-CB 4.02Å; D295-A298 PolarHBondContact O-N 2.88Å; D295-A298 PolarHBondContact OD1-N 2.99Å; D295-D299 PolarHBondContact O-N 3.23Å; D295-C300 PolarHBondContact N-O 2.93Å; D295-C300 PolarHBondContact O-N 3.22Å; D295-V565 HydrophobicContact CB-CB 4.31Å; D295-V565 HydrophobicContact CB-CG1 4.11Å; D295-V565 WeakPolarHBondContact OD2-CB 3.17Å; D295-V565 WeakPolarHBondContact OD2-CG1 3.45Å; D295-R568 IonicContact OD2-NH2 2.69Å; D295-R568 PolarHBondContact OD2-NH2 2.89Å
296V90.1Very high92.6Very high11 Ų1123 Ų237%0.06712%0.124CC..THydrogen-bonded Turntrans-64.5-19.8-178.2-61.50000114P272 Y294 V508 E509 F513P272-V296 HydrophobicContact CB-CG2 3.76Å; Y294-V296 HydrophobicContact CD1-CG1 3.68Å; Y294-V296 HydrophobicContact CE1-CB 4.2Å; Y294-V296 HydrophobicContact CE1-CG1 3.71Å; Y294-V296 PolarHBondContact O-N 3.3Å; V296-V508 HydrophobicContact CB-CG1 4.49Å; V296-V508 HydrophobicContact CG1-CB 3.97Å; V296-V508 HydrophobicContact CG1-CG1 3.6Å; V296-V508 HydrophobicContact CG2-CG1 4.11Å; V296-E509 HydrophobicContact CG2-CG 4.11Å; V296-F513 HydrophobicContact CB-CZ 4.42Å; V296-F513 HydrophobicContact CG1-CE2 4.18Å; V296-F513 HydrophobicContact CG1-CZ 3.93Å
297R87.7Confident92Very high54 Ų5429.3 Ų29.320%0.20416%0.157CC..THydrogen-bonded Turntrans-93.6-31.4-179.6-63.4-175.9175.8-172.5-0.9111.7P269 R270 L271 P272 D295 E509P269-R297 HydrophobicContact CB-CB 3.88Å; P269-R297 WeakPolarHBondContact CB-O 3.28Å; R270-R297 WeakPolarHBondContact O-CD 3.45Å; L271-R297 VanDerWaalsContact O-CZ 3.23Å; L271-R297 PolarHBondContact O-NH1 2.82Å; P272-R297 HydrophobicContact CB-CG 4.16Å; D295-R297 PolarHBondContact O-N 3.11Å; D295-R297 PolarHBondContact OD1-N 3.1Å; R297-E509 IonicContact CZ-OE1 2.82Å; R297-E509 IonicContact NE-OE1 3.06Å; R297-E509 PolarHBondContact NE-OE1 2.78Å; R297-E509 VanDerWaalsContact NE-OE1 3.15Å; R297-E509 IonicContact NE-OE2 3.99Å; R297-E509 PolarHBondContact NE-OE2 2.78Å; R297-E509 IonicContact NH2-OE1 3.39Å; R297-E509 PolarHBondContact NH2-OE1 2.87Å; R297-E509 IonicContact NH2-OE2 2.83Å
298A86.3Confident91.4Very high10 Ų1033.3 Ų33.38%0.08318%0.181CC..THydrogen-bonded Turntrans-89.1-8.717400000114.2V262 P269 D295 C300 I566V262-A298 HydrophobicContact CG2-CB 4.42Å; P269-A298 HydrophobicContact CG-CB 3.83Å; D295-A298 HydrophobicContact CB-CB 4.02Å; D295-A298 PolarHBondContact O-N 2.88Å; D295-A298 PolarHBondContact OD1-N 2.99Å; A298-C300 VanDerWaalsContact C-N 3.34Å; A298-C300 PolarHBondContact O-N 3.43Å; A298-I566 HydrophobicContact CB-CG2 4.37Å
299D89.6Confident91Very high33 Ų3333 Ų3318%0.17618%0.178CC..THydrogen-bonded Turntrans5251.7-177.2-172.325.6000111.5Y294 D295 C541Y294-D299 PolarHBondContact OH-OD1 2.89Å; D295-D299 PolarHBondContact O-N 3.23Å; D299-C541 WeakPolarHBondContact O-CB 3.3Å; D299-C541 PolarHBondContact O-SG 2.98Å; D299-C541 WeakPolarHBondContact OD1-CB 3.2Å; D299-C541 PolarHBondContact OD1-N 3.5Å
300C89.6Confident90.7Very high12 Ų1238.8 Ų38.88%0.08120%0.197CC..EExtended strand (participates in β ladder)trans-149.7152.2-178.369.40000113.1Y294 D295 A298Y294-C300 WeakPolarHBondContact CA-O 3.3Å; Y294-C300 VanDerWaalsContact CD2-O 3.3Å; Y294-C300 WeakPolarHBondContact CD2-O 3.27Å; D295-C300 PolarHBondContact N-O 2.93Å; D295-C300 PolarHBondContact O-N 3.22Å; A298-C300 VanDerWaalsContact C-N 3.34Å; A298-C300 PolarHBondContact O-N 3.43Å
301W92.9Very high90.6Very high31 Ų3141 Ų4112%0.11721%0.21CC..EExtended strand (participates in β ladder)trans-102.2142.7174.9-6785.8000110.5L276 A278 E292 A293 Y294 V515 V527 C541 M543L276-W301 HydrophobicContact CD2-CH2 4.34Å; L276-W301 HydrophobicContact CG-CH2 4.47Å; A278-W301 HydrophobicContact CB-CH2 3.82Å; A278-W301 HydrophobicContact CB-CZ3 3.59Å; E292-W301 HydrophobicContact CB-CD2 4.42Å; E292-W301 HydrophobicContact CB-CE3 3.5Å; E292-W301 VanDerWaalsContact CB-CE3 3.5Å; E292-W301 HydrophobicContact CB-CZ3 4.04Å; E292-W301 WeakPolarHBondContact O-CZ3 3.05Å; A293-W301 CarbonylContact O-C 3.1Å; A293-W301 WeakPolarHBondContact O-CA 2.99Å; Y294-W301 AromaticContact CD2-CD1 3.59Å; Y294-W301 AromaticContact CD2-CD2 3.76Å; Y294-W301 HydrophobicContact CD2-CD2 3.76Å; Y294-W301 AromaticContact CD2-CE2 3.4Å; Y294-W301 VanDerWaalsContact CD2-CE2 3.4Å; Y294-W301 AromaticContact CD2-CG 3.87Å; Y294-W301 HydrophobicContact CD2-CG 3.87Å; Y294-W301 AromaticContact CD2-CZ2 3.92Å; Y294-W301 HydrophobicContact CD2-CZ2 3.92Å; Y294-W301 AromaticContact CD2-NE1 3.28Å; Y294-W301 VanDerWaalsContact CD2-NE1 3.28Å; Y294-W301 AromaticContact CE2-NE1 3.71Å; Y294-W301 HydrophobicContact CG-CD2 4.12Å; Y294-W301 AromaticContact CG-CE2 3.76Å; Y294-W301 HydrophobicContact CG-CE3 4.46Å; Y294-W301 HydrophobicContact CG-CH2 4.24Å; Y294-W301 AromaticContact CG-CZ2 3.82Å; Y294-W301 HydrophobicContact CG-CZ2 3.82Å; W301-V515 HydrophobicContact CH2-CG1 3.88Å; W301-V515 HydrophobicContact CH2-CG2 4.28Å; W301-V515 HydrophobicContact CZ2-CG1 4.13Å; W301-V515 HydrophobicContact CZ2-CG2 4.42Å; W301-V527 HydrophobicContact CZ2-CG1 4.4Å; W301-V527 HydrophobicContact CZ2-CG2 3.73Å; W301-C541 PolarHBondContact NE1-O 3.08Å; W301-M543 HydrophobicContact CD2-CG 4.03Å; W301-M543 HydrophobicContact CE3-CG 4.33Å; W301-M543 HydrophobicContact CH2-CG 4.03Å; W301-M543 HydrophobicContact CH2-SD 4.47Å; W301-M543 HydrophobicContact CZ2-CG 3.72Å; W301-M543 HydrophobicContact CZ3-CG 4.32Å
302I92.9Very high90.5Very high27 Ų2741.3 Ų41.314%0.13821%0.212CC..EExtended strand (participates in β ladder)trans-120.4147.5165.963156.7000110E292 A293 V304 Y564 I566E292-I302 CarbonylContact C-O 3.52Å; E292-I302 WeakPolarHBondContact CA-O 3.29Å; A293-I302 HydrophobicContact CB-CD1 4.37Å; A293-I302 HydrophobicContact CB-CG1 3.85Å; A293-I302 PolarHBondContact N-O 3.32Å; A293-I302 PolarHBondContact O-N 3.19Å; I302-V304 HydrophobicContact CD1-CG1 3.49Å; I302-V304 VanDerWaalsContact CD1-CG1 3.49Å; I302-V304 HydrophobicContact CG1-CG1 3.91Å; I302-Y564 VanDerWaalsContact CD1-O 3.26Å; I302-Y564 WeakPolarHBondContact CD1-O 3.44Å; I302-I566 HydrophobicContact CG2-CB 3.98Å; I302-I566 HydrophobicContact CG2-CG1 4.39Å
303N93.6Very high90.5Very high105 Ų10541 Ų4156%0.56121%0.21SC*.EExtended strand (participates in β ladder)trans-87.9117.5175.2-171.9-34.4000109.4I291 T305I291-N303 PolarHBondContact O-OD1 3.46Å; N303-T305 WeakPolarHBondContact OD1-CB 3.44Å; N303-T305 PolarHBondContact OD1-N 3.09Å; N303-T305 PolarHBondContact OD1-OG1 3.31Å
304V93.8Very high90.5Very high35 Ų3542.9 Ų42.921%0.21222%0.217CC..  trans-117.425.4178.3-60.90000111.2I291 A293 I302 N306 Y564I291-V304 HydrophobicContact CB-CG2 4Å; I291-V304 HydrophobicContact CG2-CG2 3.53Å; I291-V304 PolarHBondContact O-N 3.13Å; A293-V304 HydrophobicContact CB-CG1 4.13Å; A293-V304 HydrophobicContact CB-CG2 3.97Å; I302-V304 HydrophobicContact CD1-CG1 3.49Å; I302-V304 VanDerWaalsContact CD1-CG1 3.49Å; I302-V304 HydrophobicContact CG1-CG1 3.91Å; V304-N306 PolarHBondContact O-N 3.25Å; V304-Y564 HydrophobicContact CB-CD1 4.32Å; V304-Y564 HydrophobicContact CB-CE1 4.31Å; V304-Y564 HydrophobicContact CG1-CD1 3.99Å; V304-Y564 HydrophobicContact CG1-CE1 4.41Å; V304-Y564 HydrophobicContact CG2-CD1 4.16Å; V304-Y564 HydrophobicContact CG2-CE1 4.2Å
305T90.7Very high90.6Very high35 Ų3543.2 Ų43.222%0.21522%0.219CC..  trans-58.7129.8-176.3-58.30000110.9G290 I291 N303G290-T305 WeakPolarHBondContact CA-OG1 3.47Å; I291-T305 PolarHBondContact N-OG1 3.43Å; I291-T305 PolarHBondContact O-N 3.06Å; I291-T305 PolarHBondContact O-OG1 3.29Å; N303-T305 WeakPolarHBondContact OD1-CB 3.44Å; N303-T305 PolarHBondContact OD1-N 3.09Å; N303-T305 PolarHBondContact OD1-OG1 3.31Å
306N83.3Confident90.9Very high30 Ų3043.3 Ų43.316%0.1622%0.22CC..  trans-102.1114.9167.8-175.1-20.5000110V304 T308 G347V304-N306 PolarHBondContact O-N 3.25Å; N306-T308 PolarHBondContact ND2-OG1 3.42Å; N306-T308 PolarHBondContact O-N 2.72Å; N306-T308 VanDerWaalsContact O-N 3.08Å; N306-T308 WeakPolarHBondContact OD1-CB 3.48Å; N306-T308 VanDerWaalsContact OD1-CG2 3.25Å; N306-T308 WeakPolarHBondContact OD1-CG2 3.47Å; N306-T308 PolarHBondContact OD1-N 3.48Å; N306-T308 PolarHBondContact OD1-OG1 3.43Å; N306-G347 PolarHBondContact ND2-O 3.28Å
307N83.1Confident91.3Very high137 Ų13743 Ų4373%0.73322%0.218SC*.THydrogen-bonded Turntrans-72.73.9-176.6-66.6-39000114.8
308T82.3Confident91.7Very high96 Ų9641.6 Ų41.659%0.58921%0.214SC*.THydrogen-bonded Turntrans-80-21.7178.956.80000113.8N306N306-T308 PolarHBondContact ND2-OG1 3.42Å; N306-T308 PolarHBondContact O-N 2.72Å; N306-T308 VanDerWaalsContact O-N 3.08Å; N306-T308 WeakPolarHBondContact OD1-CB 3.48Å; N306-T308 VanDerWaalsContact OD1-CG2 3.25Å; N306-T308 WeakPolarHBondContact OD1-CG2 3.47Å; N306-T308 PolarHBondContact OD1-N 3.48Å; N306-T308 PolarHBondContact OD1-OG1 3.43Å
309E86.4Confident92.3Very high19 Ų1943 Ų439%0.08922%0.219CC..SBendtrans-96.6147.5-177.3-168.555.5-136.300112N289 R312 R340 W349N289-E309 PolarHBondContact ND2-O 3.08Å; E309-R312 IonicContact OE1-CZ 3.4Å; E309-R312 IonicContact OE1-NE 3.15Å; E309-R312 IonicContact OE1-NH2 3.92Å; E309-R312 PolarHBondContact OE1-NH2 2.82Å; E309-R340 VanDerWaalsContact CD-NE 3.31Å; E309-R340 WeakPolarHBondContact OE1-CG 3.38Å; E309-R340 IonicContact OE1-NE 3.92Å; E309-R340 PolarHBondContact OE1-NE 2.75Å; E309-R340 IonicContact OE2-CZ 3.4Å; E309-R340 IonicContact OE2-NE 2.68Å; E309-R340 PolarHBondContact OE2-NE 2.84Å; E309-R340 IonicContact OE2-NH2 3.21Å; E309-R340 PolarHBondContact OE2-NH2 2.84Å; E309-W349 HydrophobicContact CB-CD2 4.25Å; E309-W349 HydrophobicContact CB-CG 4.1Å; E309-W349 HydrophobicContact CG-CD2 4.23Å; E309-W349 HydrophobicContact CG-CG 4.45Å
310R88.7Confident92.7Very high161 Ų16142.3 Ų42.361%0.60822%0.215SC*.PPolyproline II helixtrans-70.9147.6177.8-67.6-176177.3-176.81.4111.4
311P93.1Very high92.9Very high47 Ų4745.8 Ų45.831%0.30523%0.233SC..PPolyproline II helixtrans-59.7134.3172.6-25.535.9000113.2P287 N289 D331P287-P311 HydrophobicContact CB-CB 3.97Å; P287-P311 HydrophobicContact CG-CB 4.26Å; P287-P311 WeakPolarHBondContact O-CB 3.45Å; N289-P311 HydrophobicContact CB-CG 4.37Å; P311-D331 WeakPolarHBondContact O-CB 3.41Å
312R94.4Very high93.1Very high13 Ų1348 Ų485%0.04925%0.247CC..  trans-141.8138.9179-57.4-174.1-169-143.6-1.8111.7G281 T288 E309 H315 F336 S338G281-R312 PolarHBondContact N-O 2.84Å; T288-R312 PolarHBondContact O-N 2.87Å; T288-R312 VanDerWaalsContact O-N 3.14Å; E309-R312 IonicContact OE1-CZ 3.4Å; E309-R312 IonicContact OE1-NE 3.15Å; E309-R312 IonicContact OE1-NH2 3.92Å; E309-R312 PolarHBondContact OE1-NH2 2.82Å; R312-H315 PolarHBondContact O-CE1 3.01Å; R312-H315 PolarHBondContact O-ND1 2.89Å; R312-F336 HydrophobicContact CG-CD2 4.3Å; R312-F336 HydrophobicContact CG-CE2 3.88Å; R312-S338 PolarHBondContact NH1-OG 2.86Å; R312-S338 PolarHBondContact NH2-OG 2.97Å
313A96.9Very high93.3Very high0 Ų049.1 Ų49.10%025%0.251CS..BIsolated β-bridgetrans-120.3160.2170.300000110.7W282 P287 H315 G329 F330 A549W282-A313 HydrophobicContact CB-CB 4.21Å; W282-A313 HydrophobicContact CE3-CB 3.98Å; P287-A313 HydrophobicContact CB-CB 4.18Å; A313-H315 PolarHBondContact O-N 2.79Å; A313-H315 VanDerWaalsContact O-N 3.15Å; A313-G329 CarbonylContact O-C 3.54Å; A313-G329 VanDerWaalsContact O-CA 3.22Å; A313-G329 WeakPolarHBondContact O-CA 3.43Å; A313-F330 PolarHBondContact N-O 3.49Å; A313-F330 PolarHBondContact O-N 3.42Å; A313-A549 HydrophobicContact CB-CB 3.99Å
314Y97.6Very high93.5Very high41 Ų4144.1 Ų44.116%0.16122%0.224CC..SBendtrans58.227.7176.5-46.7-74.8000114W282 Y361 A549W282-Y314 HydrophobicContact CE3-CE2 4.07Å; W282-Y314 HydrophobicContact CZ3-CE2 4.48Å; Y314-Y361 AromaticContact CD1-CD1 3.25Å; Y314-Y361 HydrophobicContact CD1-CD1 3.25Å; Y314-Y361 AromaticContact CD1-CE1 3.05Å; Y314-Y361 HydrophobicContact CD1-CE1 3.05Å; Y314-Y361 HydrophobicContact CD1-CG 4.3Å; Y314-Y361 AromaticContact CD1-CZ 3.93Å; Y314-Y361 HydrophobicContact CD2-CE1 4.01Å; Y314-Y361 AromaticContact CE1-CD1 3.83Å; Y314-Y361 HydrophobicContact CE1-CD1 3.83Å; Y314-Y361 AromaticContact CE1-CE1 3.16Å; Y314-Y361 HydrophobicContact CE1-CE1 3.16Å; Y314-Y361 AromaticContact CE1-CZ 3.95Å; Y314-Y361 HydrophobicContact CE2-CE1 4.11Å; Y314-Y361 AromaticContact CG-CD1 3.66Å; Y314-Y361 HydrophobicContact CG-CD1 3.66Å; Y314-Y361 AromaticContact CG-CE1 3.5Å; Y314-Y361 HydrophobicContact CG-CE1 3.5Å; Y314-Y361 HydrophobicContact CG-CG 4.34Å; Y314-Y361 AromaticContact CG-CZ 3.97Å; Y314-Y361 AromaticContact CZ-CE1 3.7Å; Y314-Y361 PolarHBondContact O-N 2.87Å; Y314-A549 HydrophobicContact CD1-CB 3.31Å; Y314-A549 HydrophobicContact CD2-CB 4.21Å; Y314-A549 HydrophobicContact CE1-CB 3.29Å; Y314-A549 HydrophobicContact CE2-CB 4.19Å; Y314-A549 HydrophobicContact CG-CB 3.81Å; Y314-A549 PolarHBondContact N-O 2.9Å
315H97.8Very high93.7Very high10 Ų1042.5 Ų42.55%0.04621%0.214CC..  trans-93.1163.7172.763-79.9000109I279 R312 A313 C326 I327 S551I279-H315 PolarHBondContact O-CE1 2.81Å; I279-H315 VanDerWaalsContact O-CE1 3.24Å; I279-H315 PolarHBondContact O-NE2 2.85Å; R312-H315 PolarHBondContact O-CE1 3.01Å; R312-H315 PolarHBondContact O-ND1 2.89Å; A313-H315 PolarHBondContact O-N 2.79Å; A313-H315 VanDerWaalsContact O-N 3.15Å; H315-C326 PolarHBondContact CD2-SG 3.09Å; H315-I327 WeakPolarHBondContact CA-O 3.34Å; H315-I327 WeakPolarHBondContact CB-O 3.42Å; H315-S551 WeakPolarHBondContact O-CB 3.26Å
316G97.8Very high94Very high2 Ų241.1 Ų41.12%0.02121%0.206CC..EExtended strand (participates in β ladder)trans-100.7147.4168.400000111.4C326 I327 V364G316-C326 WeakPolarHBondContact O-CA 3.47Å; G316-I327 PolarHBondContact N-O 2.8Å; G316-I327 PolarHBondContact O-N 3Å; G316-V364 VanDerWaalsContact CA-CG2 3.49Å
317T97.9Very high94.7Very high4 Ų439.7 Ų39.73%0.02520%0.198CC..EExtended strand (participates in β ladder)trans-124.1140.4172.154.50000111.9I279 Y325 C326 S551 C552I279-T317 HydrophobicContact CB-CG2 4.02Å; I279-T317 HydrophobicContact CD1-CG2 3.86Å; I279-T317 HydrophobicContact CG2-CG2 4.1Å; T317-Y325 CarbonylContact C-O 3.53Å; T317-Y325 WeakPolarHBondContact CA-O 3.47Å; T317-C326 HydrophobicContact CG2-CB 4.43Å; T317-S551 WeakPolarHBondContact CB-OG 3.31Å; T317-S551 PolarHBondContact N-OG 3.23Å; T317-S551 VanDerWaalsContact OG1-CB 3.32Å; T317-S551 WeakPolarHBondContact OG1-CB 3.36Å; T317-S551 PolarHBondContact OG1-OG 2.91Å; T317-C552 VanDerWaalsContact OG1-C 3.29Å; T317-C552 PolarHBondContact OG1-O 3.1Å
318I97.9Very high95.4Very high26 Ų2633.1 Ų33.113%0.13316%0.163CC..EExtended strand (participates in β ladder)trans-146143.5174.3-16058.1000111.5V324 Y325 I327 V366 I371I318-V324 CarbonylContact O-C 3.45Å; I318-V324 WeakPolarHBondContact O-CA 3.33Å; I318-Y325 PolarHBondContact N-O 2.96Å; I318-Y325 PolarHBondContact O-N 2.89Å; I318-I327 HydrophobicContact CG2-CD1 4.21Å; I318-V366 HydrophobicContact CB-CG2 4.45Å; I318-V366 HydrophobicContact CD1-CG2 4.4Å; I318-V366 HydrophobicContact CG1-CB 4.17Å; I318-V366 HydrophobicContact CG1-CG2 3.43Å; I318-V366 VanDerWaalsContact CG1-CG2 3.43Å; I318-V366 HydrophobicContact CG2-CG2 4.18Å; I318-I371 HydrophobicContact CG2-CD1 3.79Å; I318-I371 HydrophobicContact CG2-CG1 3.95Å; I318-I371 HydrophobicContact CG2-CG2 3.92Å
319F97.9Very high96.1Very high39 Ų3928.6 Ų28.617%0.17114%0.135CC..EExtended strand (participates in β ladder)trans-97.1124.4173.8-178.6-111.8000109.9N322 F323 V324 P344 V554 I555 A556 L558F319-N322 VanDerWaalsContact CE2-C 3.45Å; F319-F323 WeakPolarHBondContact CA-O 3.35Å; F319-F323 WeakPolarHBondContact CD2-O 3.04Å; F319-V324 HydrophobicContact CD2-CG2 3.89Å; F319-P344 HydrophobicContact CE2-CG 4.48Å; F319-V554 WeakPolarHBondContact CB-O 3.16Å; F319-V554 VanDerWaalsContact CD1-O 3.29Å; F319-V554 WeakPolarHBondContact CD1-O 3.48Å; F319-V554 WeakPolarHBondContact CG-O 3.48Å; F319-I555 HydrophobicContact CD2-CB 4.28Å; F319-I555 HydrophobicContact CD2-CG2 3.68Å; F319-I555 HydrophobicContact CE2-CB 4.14Å; F319-I555 HydrophobicContact CE2-CG2 3.9Å; F319-I555 HydrophobicContact CG-CG2 4.21Å; F319-I555 HydrophobicContact CZ-CB 4.4Å; F319-A556 WeakPolarHBondContact CE1-O 3.44Å; F319-L558 HydrophobicContact CE2-CD1 4.4Å; F319-L558 HydrophobicContact CE2-CD2 4.3Å; F319-L558 HydrophobicContact CZ-CD1 4.48Å; F319-L558 HydrophobicContact CZ-CD2 3.99Å; F319-L558 HydrophobicContact CZ-CG 4.21Å
320L97.6Very high96.6Very high18 Ų1829.6 Ų29.69%0.09414%0.139CC..EExtended strand (participates in β ladder)trans-151.7136179.4178.764.3000110.6N322 F323 Y325 V366 G369 I371 P391L320-N322 PolarHBondContact O-N 3.1Å; L320-F323 PolarHBondContact N-O 2.81Å; L320-F323 PolarHBondContact O-N 2.89Å; L320-Y325 HydrophobicContact CB-CD2 4.39Å; L320-Y325 HydrophobicContact CB-CE2 4.09Å; L320-V366 HydrophobicContact CB-CG2 4.37Å; L320-V366 HydrophobicContact CD1-CG1 4.08Å; L320-V366 HydrophobicContact CD2-CG2 4.17Å; L320-G369 WeakPolarHBondContact CD2-O 3.14Å; L320-I371 HydrophobicContact CD2-CD1 3.97Å; L320-I371 HydrophobicContact CD2-CG1 3.56Å; L320-P391 HydrophobicContact CD2-CG 3.66Å
321N95.3Very high96.9Very high86 Ų8623.1 Ų23.146%0.4612%0.117SC..THydrogen-bonded Turntrans51.442.2177.4-61.1-14.4000112.8F323N321-F323 VanDerWaalsContact C-N 3.26Å; N321-F323 WeakPolarHBondContact O-CD2 3.27Å; N321-F323 WeakPolarHBondContact O-CE2 3.32Å; N321-F323 PolarHBondContact O-N 3.2Å
322N95.6Very high96.8Very high78 Ų7827.1 Ų27.142%0.41713%0.126SC..THydrogen-bonded Turntrans68.112-177.2-57.3-19.2000116.2F319 L320 P344 L558F319-N322 VanDerWaalsContact CE2-C 3.45Å; L320-N322 PolarHBondContact O-N 3.1Å; N322-P344 WeakPolarHBondContact O-CD 3.31Å; N322-P344 VanDerWaalsContact O-CG 3.28Å; N322-P344 WeakPolarHBondContact O-CG 3.1Å; N322-L558 HydrophobicContact CB-CD2 3.78Å
323F97.3Very high96.7Very high50 Ų5034 Ų3422%0.21916%0.163CC..EExtended strand (participates in β ladder)trans-120.5149.3176.3-60.7-84.3000111.4F319 L320 N321 Y325 K341 F342 D343F319-F323 WeakPolarHBondContact CA-O 3.35Å; F319-F323 WeakPolarHBondContact CD2-O 3.04Å; L320-F323 PolarHBondContact N-O 2.81Å; L320-F323 PolarHBondContact O-N 2.89Å; N321-F323 VanDerWaalsContact C-N 3.26Å; N321-F323 WeakPolarHBondContact O-CD2 3.27Å; N321-F323 WeakPolarHBondContact O-CE2 3.32Å; N321-F323 PolarHBondContact O-N 3.2Å; F323-Y325 HydrophobicContact CB-CD2 4.47Å; F323-Y325 HydrophobicContact CB-CE2 3.83Å; F323-K341 HydrophobicContact CB-CD 4.36Å; F323-K341 HydrophobicContact CB-CG 3.84Å; F323-K341 HydrophobicContact CD1-CD 4.26Å; F323-K341 HydrophobicContact CD1-CG 4.04Å; F323-K341 HydrophobicContact CG-CD 4.17Å; F323-K341 HydrophobicContact CG-CG 4.04Å; F323-F342 WeakPolarHBondContact CA-O 3.35Å; F323-F342 WeakPolarHBondContact CB-O 3.46Å; F323-F342 WeakPolarHBondContact CD1-O 3.45Å; F323-D343 HydrophobicContact CD1-CB 3.94Å; F323-D343 HydrophobicContact CE1-CB 3.74Å
324V97.7Very high96.5Very high0 Ų038 Ų380%018%0.181CC..EExtended strand (participates in β ladder)trans-97.1126.6169.8178.40000108.7L277 I279 I318 F319 K341 F342 I555L277-V324 HydrophobicContact CD1-CG2 4.1Å; I279-V324 HydrophobicContact CD1-CG1 3.73Å; I318-V324 CarbonylContact O-C 3.45Å; I318-V324 WeakPolarHBondContact O-CA 3.33Å; F319-V324 HydrophobicContact CD2-CG2 3.89Å; V324-K341 CarbonylContact O-C 3.46Å; V324-K341 WeakPolarHBondContact O-CA 3.38Å; V324-F342 HydrophobicContact CB-CB 4.16Å; V324-F342 HydrophobicContact CB-CD1 4.38Å; V324-F342 HydrophobicContact CG2-CD1 4.49Å; V324-F342 PolarHBondContact N-O 2.89Å; V324-F342 PolarHBondContact O-N 3Å; V324-I555 HydrophobicContact CG2-CG2 3.68Å
325Y98.2Very high96.4Very high1 Ų137.8 Ų37.80%0.00418%0.182CC..EExtended strand (participates in β ladder)trans-103.8128.1176.1-64.4-99.7000109.2T317 I318 L320 F323 V339 R340 K341 V352 I371 Y389T317-Y325 CarbonylContact C-O 3.53Å; T317-Y325 WeakPolarHBondContact CA-O 3.47Å; I318-Y325 PolarHBondContact N-O 2.96Å; I318-Y325 PolarHBondContact O-N 2.89Å; L320-Y325 HydrophobicContact CB-CD2 4.39Å; L320-Y325 HydrophobicContact CB-CE2 4.09Å; F323-Y325 HydrophobicContact CB-CD2 4.47Å; F323-Y325 HydrophobicContact CB-CE2 3.83Å; Y325-V339 HydrophobicContact CD1-CG1 4.32Å; Y325-R340 CarbonylContact C-O 3.57Å; Y325-R340 WeakPolarHBondContact CA-O 3.36Å; Y325-K341 HydrophobicContact CD1-CB 4.12Å; Y325-K341 HydrophobicContact CD1-CG 4.22Å; Y325-K341 HydrophobicContact CE1-CB 4.01Å; Y325-K341 HydrophobicContact CE1-CD 3.77Å; Y325-K341 HydrophobicContact CE1-CG 3.76Å; Y325-K341 WeakPolarHBondContact OH-CE 3.14Å; Y325-V352 HydrophobicContact CD1-CG2 4.47Å; Y325-I371 HydrophobicContact CD1-CD1 3.83Å; Y325-I371 HydrophobicContact CD2-CD1 3.49Å; Y325-I371 VanDerWaalsContact CD2-CD1 3.49Å; Y325-I371 HydrophobicContact CE1-CD1 4.18Å; Y325-I371 HydrophobicContact CE2-CD1 3.87Å; Y325-I371 HydrophobicContact CG-CD1 3.47Å; Y325-I371 VanDerWaalsContact CG-CD1 3.47Å; Y325-Y389 AromaticContact CE1-CE1 3.9Å; Y325-Y389 HydrophobicContact CE1-CE1 3.9Å
326C97.5Very high96.4Very high5 Ų537.6 Ų37.63%0.03418%0.181CC..EExtended strand (participates in β ladder)trans-108119.3172.5175.70000108.5H315 G316 T317 V339 R340 W349H315-C326 PolarHBondContact CD2-SG 3.09Å; G316-C326 WeakPolarHBondContact O-CA 3.47Å; T317-C326 HydrophobicContact CG2-CB 4.43Å; C326-V339 WeakPolarHBondContact O-CA 3.41Å; C326-R340 HydrophobicContact CB-CB 4.33Å; C326-R340 PolarHBondContact N-O 3.21Å; C326-R340 PolarHBondContact O-N 3.44Å; C326-W349 HydrophobicContact CB-CH2 4Å; C326-W349 HydrophobicContact CB-CZ3 3.78Å
327I98.4Very high96.4Very high0 Ų039.5 Ų39.50%019%0.191CC..EExtended strand (participates in β ladder)trans-121.6118.5-162.6-60.7155.9000109.1H315 G316 I318 V339 M355 V362 V364 I371 A373 W396H315-I327 WeakPolarHBondContact CA-O 3.34Å; H315-I327 WeakPolarHBondContact CB-O 3.42Å; G316-I327 PolarHBondContact N-O 2.8Å; G316-I327 PolarHBondContact O-N 3Å; I318-I327 HydrophobicContact CG2-CD1 4.21Å; I327-V339 HydrophobicContact CG1-CG1 3.89Å; I327-V339 HydrophobicContact CG2-CG2 4.4Å; I327-M355 HydrophobicContact CG2-CE 3.71Å; I327-M355 HydrophobicContact CG2-SD 3.43Å; I327-M355 WeakPolarHBondContact CG2-SD 3.43Å; I327-V362 WeakPolarHBondContact O-CG1 3.19Å; I327-V364 HydrophobicContact CB-CG1 4.06Å; I327-V364 HydrophobicContact CD1-CB 4.11Å; I327-V364 HydrophobicContact CD1-CG1 3.78Å; I327-V364 HydrophobicContact CG2-CG1 4.03Å; I327-I371 HydrophobicContact CD1-CG2 3.46Å; I327-I371 VanDerWaalsContact CD1-CG2 3.46Å; I327-A373 HydrophobicContact CG2-CB 4.21Å; I327-W396 HydrophobicContact CG2-CH2 4.42Å
328G97.6Very high96.3Very high0 Ų040 Ų400%019%0.194CC..  trans68.2-141.7175.400000114F336 S338 R359G328-F336 WeakPolarHBondContact CA-O 3.48Å; G328-S338 PolarHBondContact N-O 3.06Å; G328-S338 VanDerWaalsContact N-O 3.14Å; G328-R359 WeakPolarHBondContact CA-O 3.36Å
329G97.3Very high96.3Very high0 Ų038.8 Ų38.80%019%0.188CC..  trans95.9-166.6-179.100000114.6A313 F336 R359A313-G329 CarbonylContact O-C 3.54Å; A313-G329 VanDerWaalsContact O-CA 3.22Å; A313-G329 WeakPolarHBondContact O-CA 3.43Å; G329-F336 WeakPolarHBondContact O-CD2 3.44Å; G329-F336 PolarHBondContact O-N 2.84Å; G329-R359 PolarHBondContact N-O 3.04Å
330F96.3Very high96.2Very high40 Ų4038.8 Ų38.818%0.17519%0.187CC..BIsolated β-bridgetrans-145.2138.1-173.7179.8-118.4000111.3W282 A313 R332 E334 H335 C360W282-F330 HydrophobicContact CZ3-CD1 4.44Å; A313-F330 PolarHBondContact N-O 3.49Å; A313-F330 PolarHBondContact O-N 3.42Å; F330-R332 VanDerWaalsContact CE1-CA 3.4Å; F330-R332 WeakPolarHBondContact CZ-O 3.46Å; F330-E334 WeakPolarHBondContact CA-O 3.32Å; F330-E334 WeakPolarHBondContact CD2-O 3.45Å; F330-H335 AromaticContact CD2-CE1 3.83Å; F330-H335 AromaticContact CD2-ND1 3.88Å; F330-H335 AromaticContact CE2-CE1 3.6Å; F330-H335 AromaticContact CE2-ND1 3.86Å; F330-C360 HydrophobicContact CB-CB 3.98Å
331D94.1Very high96.2Very high26 Ų2640.1 Ų40.114%0.13919%0.192CC..  trans-111.88.4-179.673.3-6000115.3P287 P311 L333 E334 F336P287-D331 WeakPolarHBondContact CG-O 3.33Å; P311-D331 WeakPolarHBondContact O-CB 3.41Å; D331-L333 WeakPolarHBondContact OD1-CA 3.44Å; D331-L333 PolarHBondContact OD1-N 2.81Å; D331-E334 PolarHBondContact N-O 3.42Å; D331-E334 PolarHBondContact OD1-N 3.07Å; D331-F336 HydrophobicContact CB-CE2 3.72Å; D331-F336 HydrophobicContact CB-CZ 3.68Å; D331-F336 VanDerWaalsContact CG-CZ 3.49Å; D331-F336 WeakPolarHBondContact OD2-CZ 3.4Å
332R92.4Very high96.2Very high131 Ų13136.6 Ų36.649%0.49417%0.172SC..SBendtrans91.9-20.3-168.3-61.6169.8-74.9-138.1-9.8115.4W282 P287 F330W282-R332 HydrophobicContact CH2-CG 3.88Å; W282-R332 HydrophobicContact CZ3-CG 4.14Å; P287-R332 VanDerWaalsContact CD-CZ 3.41Å; P287-R332 HydrophobicContact CG-CG 4.25Å; F330-R332 VanDerWaalsContact CE1-CA 3.4Å; F330-R332 WeakPolarHBondContact CZ-O 3.46Å
333L91.7Very high96.2Very high157 Ų15733.3 Ų33.382%0.82216%0.155SC*.SBendtrans-113.8-48.3-178-60.9176.2000110.6D331D331-L333 WeakPolarHBondContact OD1-CA 3.44Å; D331-L333 PolarHBondContact OD1-N 2.81Å
334E93.3Very high96.1Very high83 Ų8331 Ų3139%0.38815%0.145SC..  trans-119.2137.7-170.7-172.6177.3-179.900111.7F330 D331 F336F330-E334 WeakPolarHBondContact CA-O 3.32Å; F330-E334 WeakPolarHBondContact CD2-O 3.45Å; D331-E334 PolarHBondContact N-O 3.42Å; D331-E334 PolarHBondContact OD1-N 3.07Å; E334-F336 HydrophobicContact CB-CD1 4.41Å; E334-F336 HydrophobicContact CB-CE1 4Å; E334-F336 HydrophobicContact CB-CZ 4.46Å; E334-F336 HydrophobicContact CG-CD1 4.05Å; E334-F336 HydrophobicContact CG-CE1 4.07Å
335H95.8Very high95.9Very high38 Ų3834.7 Ų34.718%0.17616%0.164CC..BIsolated β-bridgetrans-88.4116165.7-64.772.3000107.6F330 Q358 C360 Y377F330-H335 AromaticContact CD2-CE1 3.83Å; F330-H335 AromaticContact CD2-ND1 3.88Å; F330-H335 AromaticContact CE2-CE1 3.6Å; F330-H335 AromaticContact CE2-ND1 3.86Å; H335-Q358 HydrophobicContact CB-CB 4.13Å; H335-Q358 VanDerWaalsContact O-CG 3.22Å; H335-Q358 WeakPolarHBondContact O-CG 3.43Å; H335-Q358 PolarHBondContact O-OE1 2.84Å; H335-C360 PolarHBondContact CD2-SG 2.99Å; H335-Y377 AromaticContact CD2-CD1 3.92Å; H335-Y377 AromaticContact NE2-CD1 3.66Å; H335-Y377 AromaticContact NE2-CE1 3.66Å
336F96.6Very high95.6Very high5 Ų541.6 Ų41.62%0.02219%0.194CC..  trans-83.2137.4-171.3-61.9-61.8000112.2R312 G328 G329 D331 E334 R359R312-F336 HydrophobicContact CG-CD2 4.3Å; R312-F336 HydrophobicContact CG-CE2 3.88Å; G328-F336 WeakPolarHBondContact CA-O 3.48Å; G329-F336 WeakPolarHBondContact O-CD2 3.44Å; G329-F336 PolarHBondContact O-N 2.84Å; D331-F336 HydrophobicContact CB-CE2 3.72Å; D331-F336 HydrophobicContact CB-CZ 3.68Å; D331-F336 VanDerWaalsContact CG-CZ 3.49Å; D331-F336 WeakPolarHBondContact OD2-CZ 3.4Å; E334-F336 HydrophobicContact CB-CD1 4.41Å; E334-F336 HydrophobicContact CB-CE1 4Å; E334-F336 HydrophobicContact CB-CZ 4.46Å; E334-F336 HydrophobicContact CG-CD1 4.05Å; E334-F336 HydrophobicContact CG-CE1 4.07Å; F336-R359 PolarHBondContact O-N 2.8Å
337N97.3Very high95.2Very high43 Ų4342.7 Ų42.723%0.2321%0.206CC..  trans-100.1-4.3153.169.8-26.8000112.1P354 M355 Y357 Q358N337-P354 CarbonylContact O-C 3.52Å; N337-P354 WeakPolarHBondContact O-CA 3.37Å; N337-M355 HydrophobicContact CB-CB 4.18Å; N337-M355 PolarHBondContact ND2-O 3.04Å; N337-M355 PolarHBondContact O-N 2.82Å; N337-Y357 VanDerWaalsContact CB-O 3.25Å; N337-Y357 WeakPolarHBondContact CB-O 3.48Å; N337-Q358 HydrophobicContact CB-CB 4.47Å; N337-Q358 HydrophobicContact CB-CG 3.96Å
338S97Very high94.9Very high14 Ų1446.4 Ų46.410%0.09823%0.226CC..  trans-69.7150.6-17964.50000112.2R312 G328R312-S338 PolarHBondContact NH1-OG 2.86Å; R312-S338 PolarHBondContact NH2-OG 2.97Å; G328-S338 PolarHBondContact N-O 3.06Å; G328-S338 VanDerWaalsContact N-O 3.14Å
339V97.7Very high94.8Very high1 Ų147.6 Ų47.61%0.00623%0.23CC..EExtended strand (participates in β ladder)trans-128.4128.9-179.7-176.20000108.3Y325 C326 I327 V352 M355 W396Y325-V339 HydrophobicContact CD1-CG1 4.32Å; C326-V339 WeakPolarHBondContact O-CA 3.41Å; I327-V339 HydrophobicContact CG1-CG1 3.89Å; I327-V339 HydrophobicContact CG2-CG2 4.4Å; V339-V352 HydrophobicContact CB-CG2 3.62Å; V339-V352 HydrophobicContact CG1-CG2 3.45Å; V339-V352 VanDerWaalsContact CG1-CG2 3.45Å; V339-V352 PolarHBondContact O-N 3.43Å; V339-V352 VanDerWaalsContact O-N 3.11Å; V339-M355 HydrophobicContact CG2-CG 4.13Å; V339-W396 HydrophobicContact CG2-CZ2 3.65Å
340R96.4Very high94.7Very high39 Ų3952.3 Ų52.315%0.14725%0.252CS..EExtended strand (participates in β ladder)trans-114.6129.8-176.8-55.5-66.4-68.51715.2109E309 Y325 C326 W349 H350 E351E309-R340 VanDerWaalsContact CD-NE 3.31Å; E309-R340 WeakPolarHBondContact OE1-CG 3.38Å; E309-R340 IonicContact OE1-NE 3.92Å; E309-R340 PolarHBondContact OE1-NE 2.75Å; E309-R340 IonicContact OE2-CZ 3.4Å; E309-R340 IonicContact OE2-NE 2.68Å; E309-R340 PolarHBondContact OE2-NE 2.84Å; E309-R340 IonicContact OE2-NH2 3.21Å; E309-R340 PolarHBondContact OE2-NH2 2.84Å; Y325-R340 CarbonylContact C-O 3.57Å; Y325-R340 WeakPolarHBondContact CA-O 3.36Å; C326-R340 HydrophobicContact CB-CB 4.33Å; C326-R340 PolarHBondContact N-O 3.21Å; C326-R340 PolarHBondContact O-N 3.44Å; R340-W349 HydrophobicContact CB-CE3 3.61Å; R340-W349 HydrophobicContact CB-CZ3 3.82Å; R340-H350 CarbonylContact C-O 3.35Å; R340-H350 WeakPolarHBondContact CA-O 3.12Å; R340-E351 IonicContact NH1-OE2 3.94Å; R340-E351 PolarHBondContact NH1-OE2 3.44Å
341K96.7Very high94.7Very high45 Ų4556.1 Ų56.120%0.19627%0.27CS..EExtended strand (participates in β ladder)trans-109.6114.3-179179.9-178.1177175.60108.8F323 V324 Y325 W349 H350 V352F323-K341 HydrophobicContact CB-CD 4.36Å; F323-K341 HydrophobicContact CB-CG 3.84Å; F323-K341 HydrophobicContact CD1-CD 4.26Å; F323-K341 HydrophobicContact CD1-CG 4.04Å; F323-K341 HydrophobicContact CG-CD 4.17Å; F323-K341 HydrophobicContact CG-CG 4.04Å; V324-K341 CarbonylContact O-C 3.46Å; V324-K341 WeakPolarHBondContact O-CA 3.38Å; Y325-K341 HydrophobicContact CD1-CB 4.12Å; Y325-K341 HydrophobicContact CD1-CG 4.22Å; Y325-K341 HydrophobicContact CE1-CB 4.01Å; Y325-K341 HydrophobicContact CE1-CD 3.77Å; Y325-K341 HydrophobicContact CE1-CG 3.76Å; Y325-K341 WeakPolarHBondContact OH-CE 3.14Å; K341-W349 WeakPolarHBondContact O-CA 3.49Å; K341-H350 PolarHBondContact N-O 2.94Å; K341-H350 PolarHBondContact O-N 3.44Å; K341-V352 HydrophobicContact CB-CG1 3.77Å; K341-V352 HydrophobicContact CD-CG1 3.88Å; K341-V352 HydrophobicContact CG-CG1 4.47Å
342F96.1Very high94.8Very high12 Ų1255.7 Ų55.75%0.05327%0.269CS..EExtended strand (participates in β ladder)trans-93.3128.3175.4-177.7-122.3000110.4F323 V324 P344 N348 W349F323-F342 WeakPolarHBondContact CA-O 3.35Å; F323-F342 WeakPolarHBondContact CB-O 3.46Å; F323-F342 WeakPolarHBondContact CD1-O 3.45Å; V324-F342 HydrophobicContact CB-CB 4.16Å; V324-F342 HydrophobicContact CB-CD1 4.38Å; V324-F342 HydrophobicContact CG2-CD1 4.49Å; V324-F342 PolarHBondContact N-O 2.89Å; V324-F342 PolarHBondContact O-N 3Å; F342-P344 HydrophobicContact CD1-CB 4.17Å; F342-P344 HydrophobicContact CE1-CB 3.89Å; F342-P344 VanDerWaalsContact O-CD 3.23Å; F342-P344 WeakPolarHBondContact O-CD 3.39Å; F342-N348 WeakPolarHBondContact CA-O 3.22Å; F342-W349 HydrophobicContact CB-CD2 3.71Å; F342-W349 HydrophobicContact CB-CE3 3.58Å; F342-W349 HydrophobicContact CB-CH2 3.62Å; F342-W349 HydrophobicContact CB-CZ2 3.72Å; F342-W349 HydrophobicContact CB-CZ3 3.55Å; F342-W349 AromaticContact CD2-CD1 3.69Å; F342-W349 AromaticContact CD2-CD2 3.81Å; F342-W349 HydrophobicContact CD2-CD2 3.81Å; F342-W349 AromaticContact CD2-CE2 3.5Å; F342-W349 AromaticContact CD2-CG 3.94Å; F342-W349 HydrophobicContact CD2-CG 3.94Å; F342-W349 HydrophobicContact CD2-CZ2 4.03Å; F342-W349 AromaticContact CD2-NE1 3.4Å; F342-W349 AromaticContact CE2-NE1 3.82Å; F342-W349 HydrophobicContact CG-CD2 4.14Å; F342-W349 AromaticContact CG-CE2 3.8Å; F342-W349 HydrophobicContact CG-CE3 4.48Å; F342-W349 HydrophobicContact CG-CH2 4.28Å; F342-W349 AromaticContact CG-CZ2 3.88Å; F342-W349 HydrophobicContact CG-CZ2 3.88Å
343D95.4Very high95.1Very high10 Ų1050.5 Ų50.55%0.05325%0.253CS..EExtended strand (participates in β ladder)trans-89.5103.3166.3-172.8-30.3000108.5F323 I345 K346 G347 N348F323-D343 HydrophobicContact CD1-CB 3.94Å; F323-D343 HydrophobicContact CE1-CB 3.74Å; D343-I345 PolarHBondContact O-N 2.89Å; D343-I345 WeakPolarHBondContact OD1-CA 3.49Å; D343-I345 WeakPolarHBondContact OD1-CB 3.48Å; D343-I345 PolarHBondContact OD1-N 3Å; D343-K346 HydrophobicContact CB-CB 4.18Å; D343-K346 PolarHBondContact O-N 2.8Å; D343-K346 PolarHBondContact OD1-N 3.16Å; D343-K346 VanDerWaalsContact OD2-CD 3.23Å; D343-K346 WeakPolarHBondContact OD2-CD 3.23Å; D343-K346 WeakPolarHBondContact OD2-CG 3.36Å; D343-K346 IonicContact OD2-NZ 3.53Å; D343-G347 VanDerWaalsContact O-CA 3.28Å; D343-G347 WeakPolarHBondContact O-CA 3.37Å; D343-G347 PolarHBondContact O-N 2.77Å; D343-N348 PolarHBondContact N-O 3.13Å; D343-N348 PolarHBondContact O-N 3.49Å
344P93.8Very high95.4Very high1 Ų146 Ų461%0.00623%0.234CC..THydrogen-bonded Turntrans-69.8-14.4179.529.7-35.7000113.3F319 N322 F342 L558 N560 Y564F319-P344 HydrophobicContact CE2-CG 4.48Å; N322-P344 WeakPolarHBondContact O-CD 3.31Å; N322-P344 VanDerWaalsContact O-CG 3.28Å; N322-P344 WeakPolarHBondContact O-CG 3.1Å; F342-P344 HydrophobicContact CD1-CB 4.17Å; F342-P344 HydrophobicContact CE1-CB 3.89Å; F342-P344 VanDerWaalsContact O-CD 3.23Å; F342-P344 WeakPolarHBondContact O-CD 3.39Å; P344-L558 HydrophobicContact CB-CD1 3.7Å; P344-L558 HydrophobicContact CG-CD1 3.42Å; P344-L558 VanDerWaalsContact CG-CD1 3.42Å; P344-L558 HydrophobicContact CG-CD2 4.11Å; P344-L558 HydrophobicContact CG-CG 4.42Å; P344-N560 PolarHBondContact O-ND2 3.02Å; P344-Y564 VanDerWaalsContact C-OH 3.28Å; P344-Y564 WeakPolarHBondContact CA-OH 3.34Å; P344-Y564 HydrophobicContact CB-CE2 4.27Å; P344-Y564 WeakPolarHBondContact CB-OH 3.45Å; P344-Y564 PolarHBondContact O-OH 3.28Å
345I93.6Very high95.7Very high77 Ų7742.2 Ų42.240%0.39522%0.216SC..THydrogen-bonded Turntrans-83.6-43.1176.7-58.5173.3000109.8D343 L558 P559D343-I345 PolarHBondContact O-N 2.89Å; D343-I345 WeakPolarHBondContact OD1-CA 3.49Å; D343-I345 WeakPolarHBondContact OD1-CB 3.48Å; D343-I345 PolarHBondContact OD1-N 3Å; I345-L558 HydrophobicContact CD1-CD2 4.28Å; I345-L558 HydrophobicContact CG1-CD2 4.24Å; I345-P559 HydrophobicContact CD1-CG 3.99Å; I345-P559 HydrophobicContact CG1-CG 4.34Å
346K91.9Very high95.8Very high147 Ų14746.9 Ų46.964%0.63923%0.233SC*.THydrogen-bonded Turntrans-90.5-14.4-179.5-62.1-179.2-168.7162.20113.7D343D343-K346 HydrophobicContact CB-CB 4.18Å; D343-K346 PolarHBondContact O-N 2.8Å; D343-K346 PolarHBondContact OD1-N 3.16Å; D343-K346 VanDerWaalsContact OD2-CD 3.23Å; D343-K346 WeakPolarHBondContact OD2-CD 3.23Å; D343-K346 WeakPolarHBondContact OD2-CG 3.36Å; D343-K346 IonicContact OD2-NZ 3.53Å
347G90.8Very high95.8Very high27 Ų2751 Ų5128%0.27825%0.249SC..THydrogen-bonded Turntrans65.735.5-176.500000113.3N306 D343N306-G347 PolarHBondContact ND2-O 3.28Å; D343-G347 VanDerWaalsContact O-CA 3.28Å; D343-G347 WeakPolarHBondContact O-CA 3.37Å; D343-G347 PolarHBondContact O-N 2.77Å
348N92.4Very high95.8Very high79 Ų7952.5 Ų52.542%0.42226%0.255SS..EExtended strand (participates in β ladder)trans-127.6146.6-177.1-69.2-30.6000112.6F342 D343F342-N348 WeakPolarHBondContact CA-O 3.22Å; D343-N348 PolarHBondContact N-O 3.13Å; D343-N348 PolarHBondContact O-N 3.49Å
349W94.5Very high95.9Very high24 Ų2451.9 Ų51.99%0.09125%0.25CS..EExtended strand (participates in β ladder)trans-100.3138.1175.3-70.792.8000111.6I291 E309 C326 R340 K341 F342I291-W349 HydrophobicContact CD1-CZ2 3.92Å; E309-W349 HydrophobicContact CB-CD2 4.25Å; E309-W349 HydrophobicContact CB-CG 4.1Å; E309-W349 HydrophobicContact CG-CD2 4.23Å; E309-W349 HydrophobicContact CG-CG 4.45Å; C326-W349 HydrophobicContact CB-CH2 4Å; C326-W349 HydrophobicContact CB-CZ3 3.78Å; R340-W349 HydrophobicContact CB-CE3 3.61Å; R340-W349 HydrophobicContact CB-CZ3 3.82Å; K341-W349 WeakPolarHBondContact O-CA 3.49Å; F342-W349 HydrophobicContact CB-CD2 3.71Å; F342-W349 HydrophobicContact CB-CE3 3.58Å; F342-W349 HydrophobicContact CB-CH2 3.62Å; F342-W349 HydrophobicContact CB-CZ2 3.72Å; F342-W349 HydrophobicContact CB-CZ3 3.55Å; F342-W349 AromaticContact CD2-CD1 3.69Å; F342-W349 AromaticContact CD2-CD2 3.81Å; F342-W349 HydrophobicContact CD2-CD2 3.81Å; F342-W349 AromaticContact CD2-CE2 3.5Å; F342-W349 AromaticContact CD2-CG 3.94Å; F342-W349 HydrophobicContact CD2-CG 3.94Å; F342-W349 HydrophobicContact CD2-CZ2 4.03Å; F342-W349 AromaticContact CD2-NE1 3.4Å; F342-W349 AromaticContact CE2-NE1 3.82Å; F342-W349 HydrophobicContact CG-CD2 4.14Å; F342-W349 AromaticContact CG-CE2 3.8Å; F342-W349 HydrophobicContact CG-CE3 4.48Å; F342-W349 HydrophobicContact CG-CH2 4.28Å; F342-W349 AromaticContact CG-CZ2 3.88Å; F342-W349 HydrophobicContact CG-CZ2 3.88Å
350H94.4Very high95.8Very high99 Ų9951.9 Ų51.946%0.45825%0.25SS..EExtended strand (participates in β ladder)trans-129.4148.8175.8-59.8-71.6000110.5R340 K341R340-H350 CarbonylContact C-O 3.35Å; R340-H350 WeakPolarHBondContact CA-O 3.12Å; K341-H350 PolarHBondContact N-O 2.94Å; K341-H350 PolarHBondContact O-N 3.44Å
351E96Very high95.8Very high121 Ų12153 Ų5357%0.56526%0.255SS*.EExtended strand (participates in β ladder)trans-82.9142.2170.6-150.1158.4154.400110.4R340R340-E351 IonicContact NH1-OE2 3.94Å; R340-E351 PolarHBondContact NH1-OE2 3.44Å
352V98Very high95.9Very high17 Ų1751.5 Ų51.510%0.10325%0.25CC..EExtended strand (participates in β ladder)trans-120.8178.7169.1-61.50000109.1Y325 V339 K341 Y389 N394Y325-V352 HydrophobicContact CD1-CG2 4.47Å; V339-V352 HydrophobicContact CB-CG2 3.62Å; V339-V352 HydrophobicContact CG1-CG2 3.45Å; V339-V352 VanDerWaalsContact CG1-CG2 3.45Å; V339-V352 PolarHBondContact O-N 3.43Å; V339-V352 VanDerWaalsContact O-N 3.11Å; K341-V352 HydrophobicContact CB-CG1 3.77Å; K341-V352 HydrophobicContact CD-CG1 3.88Å; K341-V352 HydrophobicContact CG-CG1 4.47Å; V352-Y389 HydrophobicContact CG2-CE2 4.45Å; V352-N394 WeakPolarHBondContact CB-OD1 3.46Å
353A98.3Very high96Very high21 Ų2151 Ų5117%0.17425%0.248CC..PPolyproline II helixtrans-53.2134.2-176.900000111.1Y389 N394 W396A353-Y389 HydrophobicContact CB-CE2 4.27Å; A353-N394 WeakPolarHBondContact CB-O 3.45Å; A353-N394 WeakPolarHBondContact CB-OD1 3.37Å; A353-N394 PolarHBondContact N-OD1 2.76Å; A353-W396 VanDerWaalsContact O-CD1 3.32Å; A353-W396 PolarHBondContact O-NE1 2.9Å
354P98.3Very high96.2Very high64 Ų6451.4 Ų51.442%0.41625%0.251SS..PPolyproline II helixtrans-75.1155.3178.232.5-35.7000110.7N337 W396N337-P354 CarbonylContact O-C 3.52Å; N337-P354 WeakPolarHBondContact O-CA 3.37Å; P354-W396 VanDerWaalsContact C-CD1 3.47Å
355M98.4Very high96.4Very high3 Ų351.8 Ų51.82%0.01525%0.253CS..PPolyproline II helixtrans-63.1156.6169.9-69.3179-6300111.2I327 N337 V339 Y357 R359 A373 E387 W396I327-M355 HydrophobicContact CG2-CE 3.71Å; I327-M355 HydrophobicContact CG2-SD 3.43Å; I327-M355 WeakPolarHBondContact CG2-SD 3.43Å; N337-M355 HydrophobicContact CB-CB 4.18Å; N337-M355 PolarHBondContact ND2-O 3.04Å; N337-M355 PolarHBondContact O-N 2.82Å; V339-M355 HydrophobicContact CG2-CG 4.13Å; M355-Y357 VanDerWaalsContact C-N 3.3Å; M355-Y357 WeakPolarHBondContact CB-O 3.48Å; M355-R359 HydrophobicContact CE-CB 4.13Å; M355-R359 HydrophobicContact CE-CG 4.23Å; M355-R359 HydrophobicContact SD-CG 4.33Å; M355-A373 HydrophobicContact SD-CB 3.51Å; M355-A373 VanDerWaalsContact SD-CB 3.51Å; M355-E387 WeakPolarHBondContact CB-OE1 3.18Å; M355-W396 HydrophobicContact CG-CD2 3.91Å; M355-W396 HydrophobicContact CG-CE3 4.18Å; M355-W396 HydrophobicContact CG-CH2 3.88Å; M355-W396 HydrophobicContact CG-CZ2 3.59Å; M355-W396 HydrophobicContact CG-CZ3 4.16Å; M355-W396 HydrophobicContact SD-CH2 4.22Å; M355-W396 HydrophobicContact SD-CZ2 4.37Å
356Y97.6Very high96.6Very high136 Ų13649.7 Ų49.753%0.53324%0.244SC..SBendtrans-65.3-37.4173.5-78.9-90.3000111.8E387 W396 L398Y356-E387 VanDerWaalsContact CD2-OE2 3.32Å; Y356-E387 WeakPolarHBondContact CD2-OE2 3.36Å; Y356-E387 PolarHBondContact N-OE2 3.23Å; Y356-W396 HydrophobicContact CD2-CB 4.07Å; Y356-W396 HydrophobicContact CE2-CB 4.01Å; Y356-W396 WeakPolarHBondContact CE2-O 3.49Å; Y356-L398 HydrophobicContact CD2-CD2 4.18Å; Y356-L398 HydrophobicContact CD2-CG 4.15Å; Y356-L398 HydrophobicContact CE2-CG 4.47Å; Y356-L398 HydrophobicContact CG-CD2 4.26Å; Y356-L398 HydrophobicContact CG-CG 4.37Å
357Y97.1Very high96.9Very high90 Ų9043.2 Ų43.235%0.35322%0.216SC..SBendtrans-111.9147.5-179.2-64.4-83.3000111.1N337 M355 T385 L398N337-Y357 VanDerWaalsContact CB-O 3.25Å; N337-Y357 WeakPolarHBondContact CB-O 3.48Å; M355-Y357 VanDerWaalsContact C-N 3.3Å; M355-Y357 WeakPolarHBondContact CB-O 3.48Å; Y357-T385 HydrophobicContact CE2-CG2 4.23Å; Y357-L398 HydrophobicContact CD2-CD2 4.21Å; Y357-L398 HydrophobicContact CE2-CD2 3.78Å
358Q97.9Very high97.2Very high76 Ų7646.7 Ų46.736%0.35523%0.228SC..  trans-70.2134.3166.2-66174.9-5.800108.5H335 N337 D378H335-Q358 HydrophobicContact CB-CB 4.13Å; H335-Q358 VanDerWaalsContact O-CG 3.22Å; H335-Q358 WeakPolarHBondContact O-CG 3.43Å; H335-Q358 PolarHBondContact O-OE1 2.84Å; N337-Q358 HydrophobicContact CB-CB 4.47Å; N337-Q358 HydrophobicContact CB-CG 3.96Å; Q358-D378 HydrophobicContact CB-CB 4.25Å; Q358-D378 VanDerWaalsContact O-CA 3.3Å; Q358-D378 WeakPolarHBondContact O-CA 3.24Å; Q358-D378 VanDerWaalsContact O-CB 3.3Å; Q358-D378 WeakPolarHBondContact O-CB 3.39Å; Q358-D378 PolarHBondContact OE1-O 2.9Å
359R97.8Very high97.4Very high0 Ų044.2 Ų44.20%022%0.222CC..  trans-141106.5-177-51.9-179-178.1-90.8-1.4110.2G328 G329 F336 M355 V362 G375 L383 T385 E387G328-R359 WeakPolarHBondContact CA-O 3.36Å; G329-R359 PolarHBondContact N-O 3.04Å; F336-R359 PolarHBondContact O-N 2.8Å; M355-R359 HydrophobicContact CE-CB 4.13Å; M355-R359 HydrophobicContact CE-CG 4.23Å; M355-R359 HydrophobicContact SD-CG 4.33Å; R359-V362 HydrophobicContact CB-CB 3.75Å; R359-V362 HydrophobicContact CB-CG2 3.83Å; R359-V362 HydrophobicContact CG-CG2 4.42Å; R359-G375 PolarHBondContact NH1-O 3.34Å; R359-L383 HydrophobicContact CG-CD1 4.01Å; R359-T385 PolarHBondContact NH1-O 2.77Å; R359-T385 PolarHBondContact NH1-OG1 2.88Å; R359-T385 PolarHBondContact NH2-OG1 2.8Å; R359-T385 VanDerWaalsContact NH2-OG1 3.08Å; R359-E387 IonicContact CZ-OE1 3.06Å; R359-E387 VanDerWaalsContact CZ-OE1 3.27Å; R359-E387 IonicContact NE-OE1 3.18Å; R359-E387 PolarHBondContact NE-OE1 2.86Å; R359-E387 IonicContact NH2-OE1 2.78Å; R359-E387 PolarHBondContact NH2-OE1 2.82Å
360C96.1Very high97.6Very high1 Ų146.4 Ų46.41%0.00723%0.23CC..BIsolated β-bridgetrans-101159.7155.675.70000109.7F330 H335 V362 G376 Y377F330-C360 HydrophobicContact CB-CB 3.98Å; H335-C360 PolarHBondContact CD2-SG 2.99Å; C360-V362 PolarHBondContact O-N 2.77Å; C360-G376 CarbonylContact O-C 3.58Å; C360-G376 WeakPolarHBondContact O-CA 3.2Å; C360-Y377 PolarHBondContact N-O 3.34Å; C360-Y377 PolarHBondContact O-N 2.99Å; C360-Y377 PolarHBondContact SG-O 2.74Å
361Y97.6Very high97.8Very high64 Ų6441.7 Ų41.725%0.25121%0.209SC..SBendtrans56.133.9-169.9-48.3-84000112.5Y314 D408Y314-Y361 AromaticContact CD1-CD1 3.25Å; Y314-Y361 HydrophobicContact CD1-CD1 3.25Å; Y314-Y361 AromaticContact CD1-CE1 3.05Å; Y314-Y361 HydrophobicContact CD1-CE1 3.05Å; Y314-Y361 HydrophobicContact CD1-CG 4.3Å; Y314-Y361 AromaticContact CD1-CZ 3.93Å; Y314-Y361 HydrophobicContact CD2-CE1 4.01Å; Y314-Y361 AromaticContact CE1-CD1 3.83Å; Y314-Y361 HydrophobicContact CE1-CD1 3.83Å; Y314-Y361 AromaticContact CE1-CE1 3.16Å; Y314-Y361 HydrophobicContact CE1-CE1 3.16Å; Y314-Y361 AromaticContact CE1-CZ 3.95Å; Y314-Y361 HydrophobicContact CE2-CE1 4.11Å; Y314-Y361 AromaticContact CG-CD1 3.66Å; Y314-Y361 HydrophobicContact CG-CD1 3.66Å; Y314-Y361 AromaticContact CG-CE1 3.5Å; Y314-Y361 HydrophobicContact CG-CE1 3.5Å; Y314-Y361 HydrophobicContact CG-CG 4.34Å; Y314-Y361 AromaticContact CG-CZ 3.97Å; Y314-Y361 AromaticContact CZ-CE1 3.7Å; Y314-Y361 PolarHBondContact O-N 2.87Å; Y361-D408 WeakPolarHBondContact CD1-OD1 3.43Å; Y361-D408 WeakPolarHBondContact CD1-OD2 3.45Å; Y361-D408 VanDerWaalsContact CE1-OD1 3.23Å; Y361-D408 WeakPolarHBondContact CE1-OD1 3.39Å; Y361-D408 PolarHBondContact O-N 2.89Å
362V98.2Very high97.9Very high13 Ų1336.2 Ų36.28%0.07918%0.183CC..  trans-77.6139.6-175.762.80000110.6I327 R359 C360 V364 A373I327-V362 WeakPolarHBondContact O-CG1 3.19Å; R359-V362 HydrophobicContact CB-CB 3.75Å; R359-V362 HydrophobicContact CB-CG2 3.83Å; R359-V362 HydrophobicContact CG-CG2 4.42Å; C360-V362 PolarHBondContact O-N 2.77Å; V362-V364 HydrophobicContact CG1-CG1 4.2Å; V362-V364 HydrophobicContact CG2-CG1 4.12Å; V362-A373 HydrophobicContact CG2-CB 4.1Å
363S98.5Very high98Very high2 Ų235.4 Ų35.41%0.01418%0.178CC..EExtended strand (participates in β ladder)trans-93.1133.8168.3-45.80000109.3I374 A409 N410 C411S363-I374 PolarHBondContact N-O 3.43Å; S363-I374 VanDerWaalsContact N-O 3.1Å; S363-I374 PolarHBondContact O-N 2.85Å; S363-A409 PolarHBondContact OG-O 2.83Å; S363-N410 WeakPolarHBondContact OG-CA 3.49Å; S363-N410 PolarHBondContact OG-N 2.62Å; S363-C411 WeakPolarHBondContact CB-SG 3.39Å
364V98.5Very high98Very high18 Ų1834.4 Ų34.411%0.10917%0.17CC..EExtended strand (participates in β ladder)trans-129.4144.9-179.6-58.20000111.9G316 I327 V362 Y372 C411G316-V364 VanDerWaalsContact CA-CG2 3.49Å; I327-V364 HydrophobicContact CB-CG1 4.06Å; I327-V364 HydrophobicContact CD1-CB 4.11Å; I327-V364 HydrophobicContact CD1-CG1 3.78Å; I327-V364 HydrophobicContact CG2-CG1 4.03Å; V362-V364 HydrophobicContact CG1-CG1 4.2Å; V362-V364 HydrophobicContact CG2-CG1 4.12Å; V364-Y372 VanDerWaalsContact CA-O 3.22Å; V364-Y372 WeakPolarHBondContact CA-O 3.38Å; V364-C411 VanDerWaalsContact C-SG 3.5Å; V364-C411 PolarHBondContact O-SG 2.89Å
365T98.6Very high98Very high9 Ų931.4 Ų31.46%0.05515%0.15CC..EExtended strand (participates in β ladder)trans-156.6172.1175.8-163.90000111.1Y372 I374 T413 I418T365-Y372 PolarHBondContact N-O 2.9Å; T365-Y372 PolarHBondContact O-N 3.42Å; T365-I374 HydrophobicContact CG2-CD1 4.47Å; T365-T413 HydrophobicContact CG2-CG2 3.7Å; T365-T413 VanDerWaalsContact OG1-CG2 3.25Å; T365-T413 WeakPolarHBondContact OG1-CG2 3.16Å; T365-I418 HydrophobicContact CG2-CB 4.39Å; T365-I418 HydrophobicContact CG2-CD1 3.89Å; T365-I418 HydrophobicContact CG2-CG1 3.93Å; T365-I418 HydrophobicContact CG2-CG2 3.66Å
366V98.4Very high98Very high33 Ų3331.2 Ų31.220%0.215%0.149CC..EExtended strand (participates in β ladder)trans-122.7125.6178.3159.20000110.8I318 L320 Y370 I371 T413I318-V366 HydrophobicContact CB-CG2 4.45Å; I318-V366 HydrophobicContact CD1-CG2 4.4Å; I318-V366 HydrophobicContact CG1-CB 4.17Å; I318-V366 HydrophobicContact CG1-CG2 3.43Å; I318-V366 VanDerWaalsContact CG1-CG2 3.43Å; I318-V366 HydrophobicContact CG2-CG2 4.18Å; L320-V366 HydrophobicContact CB-CG2 4.37Å; L320-V366 HydrophobicContact CD1-CG1 4.08Å; L320-V366 HydrophobicContact CD2-CG2 4.17Å; V366-Y370 VanDerWaalsContact CA-O 3.28Å; V366-Y370 WeakPolarHBondContact CA-O 3.44Å; V366-I371 HydrophobicContact CG2-CB 4.45Å; V366-I371 HydrophobicContact CG2-CG1 3.81Å; V366-T413 WeakPolarHBondContact O-CG2 3.42Å; V366-T413 PolarHBondContact O-OG1 3.4Å
367L98.3Very high98Very high11 Ų1127.2 Ų27.26%0.05813%0.133CC..EExtended strand (participates in β ladder)trans-136.3130.8174.1-179.760.3000109.8G369 Y370 Y372 T413 I418 P438L367-G369 PolarHBondContact O-N 2.93Å; L367-Y370 PolarHBondContact N-O 3.3Å; L367-Y370 PolarHBondContact O-N 3.32Å; L367-Y372 HydrophobicContact CB-CD2 4.26Å; L367-Y372 HydrophobicContact CB-CE2 3.78Å; L367-T413 HydrophobicContact CB-CG2 3.89Å; L367-T413 HydrophobicContact CD1-CG2 4.5Å; L367-I418 HydrophobicContact CB-CD1 4.35Å; L367-I418 HydrophobicContact CB-CG1 4.24Å; L367-I418 HydrophobicContact CD2-CD1 4.22Å; L367-I418 HydrophobicContact CD2-CG1 3.75Å; L367-P438 HydrophobicContact CD2-CG 3.82Å
368N95.9Very high98Very high99 Ų9924.1 Ų24.153%0.52912%0.123SC..THydrogen-bonded Turntrans53.738.6179.6-58.3-19.3000113.6Y370N368-Y370 PolarHBondContact O-N 2.99Å
369G97Very high97.8Very high28 Ų2821.4 Ų21.429%0.28912%0.115SC..THydrogen-bonded Turntrans74.26.3-17900000114.9L320 L367L320-G369 WeakPolarHBondContact CD2-O 3.14Å; L367-G369 PolarHBondContact O-N 2.93Å
370Y98.4Very high97.6Very high69 Ų6929.2 Ų29.227%0.27115%0.151SC..EExtended strand (participates in β ladder)trans-109.2144.6176.2-52.9-34.3000111V366 L367 N368 Y372 Y388 Y389 R390V366-Y370 VanDerWaalsContact CA-O 3.28Å; V366-Y370 WeakPolarHBondContact CA-O 3.44Å; L367-Y370 PolarHBondContact N-O 3.3Å; L367-Y370 PolarHBondContact O-N 3.32Å; N368-Y370 PolarHBondContact O-N 2.99Å; Y370-Y372 WeakPolarHBondContact O-CD2 3.22Å; Y370-Y388 HydrophobicContact CD2-CD2 4.37Å; Y370-Y388 HydrophobicContact CG-CD2 4.35Å; Y370-Y389 WeakPolarHBondContact CA-O 3.28Å; Y370-R390 HydrophobicContact CD1-CB 4.35Å; Y370-R390 HydrophobicContact CD1-CG 3.8Å; Y370-R390 HydrophobicContact CE1-CB 4.37Å; Y370-R390 HydrophobicContact CE1-CG 3.78Å; Y370-R390 HydrophobicContact CG-CG 4.32Å
371I98.8Very high97.5Very high1 Ų134.2 Ų34.21%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-93.7126.9178.1-60.1174.6000108.3I318 L320 Y325 I327 V366 Y388 Y389 W396I318-I371 HydrophobicContact CG2-CD1 3.79Å; I318-I371 HydrophobicContact CG2-CG1 3.95Å; I318-I371 HydrophobicContact CG2-CG2 3.92Å; L320-I371 HydrophobicContact CD2-CD1 3.97Å; L320-I371 HydrophobicContact CD2-CG1 3.56Å; Y325-I371 HydrophobicContact CD1-CD1 3.83Å; Y325-I371 HydrophobicContact CD2-CD1 3.49Å; Y325-I371 VanDerWaalsContact CD2-CD1 3.49Å; Y325-I371 HydrophobicContact CE1-CD1 4.18Å; Y325-I371 HydrophobicContact CE2-CD1 3.87Å; Y325-I371 HydrophobicContact CG-CD1 3.47Å; Y325-I371 VanDerWaalsContact CG-CD1 3.47Å; I327-I371 HydrophobicContact CD1-CG2 3.46Å; I327-I371 VanDerWaalsContact CD1-CG2 3.46Å; V366-I371 HydrophobicContact CG2-CB 4.45Å; V366-I371 HydrophobicContact CG2-CG1 3.81Å; I371-Y388 CarbonylContact O-C 3.57Å; I371-Y388 WeakPolarHBondContact O-CA 3.43Å; I371-Y388 WeakPolarHBondContact O-CB 3.34Å; I371-Y389 HydrophobicContact CD1-CD1 4.1Å; I371-Y389 PolarHBondContact N-O 2.88Å; I371-Y389 VanDerWaalsContact N-O 3.14Å; I371-Y389 PolarHBondContact O-N 3.29Å; I371-W396 HydrophobicContact CG2-CH2 4.39Å
372Y98.8Very high97.5Very high6 Ų634.6 Ų34.62%0.02418%0.177CC..EExtended strand (participates in β ladder)trans-104.3136.7177.6-69.5-106.8000110V364 T365 L367 Y370 E387 Y388 I399 I418 Y436V364-Y372 VanDerWaalsContact CA-O 3.22Å; V364-Y372 WeakPolarHBondContact CA-O 3.38Å; T365-Y372 PolarHBondContact N-O 2.9Å; T365-Y372 PolarHBondContact O-N 3.42Å; L367-Y372 HydrophobicContact CB-CD2 4.26Å; L367-Y372 HydrophobicContact CB-CE2 3.78Å; Y370-Y372 WeakPolarHBondContact O-CD2 3.22Å; Y372-E387 CarbonylContact C-O 3.57Å; Y372-E387 WeakPolarHBondContact CA-O 3.5Å; Y372-Y388 AromaticContact CE1-CD1 3.9Å; Y372-Y388 HydrophobicContact CE1-CD1 3.9Å; Y372-Y388 HydrophobicContact CE1-CG 4.16Å; Y372-I399 HydrophobicContact CD1-CD1 3.97Å; Y372-I399 HydrophobicContact CE1-CD1 4.08Å; Y372-I418 HydrophobicContact CD1-CD1 3.42Å; Y372-I418 VanDerWaalsContact CD1-CD1 3.42Å; Y372-I418 HydrophobicContact CD2-CD1 3.65Å; Y372-I418 HydrophobicContact CE1-CD1 3.76Å; Y372-I418 HydrophobicContact CE2-CD1 3.99Å; Y372-I418 HydrophobicContact CG-CD1 3.36Å; Y372-Y436 HydrophobicContact CE1-CD1 4.36Å; Y372-Y436 AromaticContact CE1-CE1 3.84Å; Y372-Y436 HydrophobicContact CE1-CE1 3.84Å
373A98.8Very high97.5Very high0 Ų034.4 Ų34.40%018%0.175CC..EExtended strand (participates in β ladder)trans-118.1120.3170.700000108.7I327 M355 V362 A386 E387 W396I327-A373 HydrophobicContact CG2-CB 4.21Å; M355-A373 HydrophobicContact SD-CB 3.51Å; M355-A373 VanDerWaalsContact SD-CB 3.51Å; V362-A373 HydrophobicContact CG2-CB 4.1Å; A373-A386 WeakPolarHBondContact O-CA 3.33Å; A373-E387 HydrophobicContact CB-CG 4.22Å; A373-E387 PolarHBondContact N-O 2.75Å; A373-E387 PolarHBondContact O-N 3.14Å; A373-W396 HydrophobicContact CB-CH2 3.87Å; A373-W396 HydrophobicContact CB-CZ3 3.73Å
374I98.8Very high97.5Very high0 Ų036 Ų360%019%0.187CC..EExtended strand (participates in β ladder)trans-130129.7-164.5-56.5157.7000109.4S363 T365 A386 M402 C411 I418 I420 W443S363-I374 PolarHBondContact N-O 3.43Å; S363-I374 VanDerWaalsContact N-O 3.1Å; S363-I374 PolarHBondContact O-N 2.85Å; T365-I374 HydrophobicContact CG2-CD1 4.47Å; I374-A386 HydrophobicContact CB-CB 4.26Å; I374-A386 HydrophobicContact CG1-CB 3.95Å; I374-A386 HydrophobicContact CG2-CB 4.11Å; I374-M402 HydrophobicContact CG2-CE 3.71Å; I374-M402 HydrophobicContact CG2-CG 4.4Å; I374-M402 HydrophobicContact CG2-SD 3.49Å; I374-M402 WeakPolarHBondContact CG2-SD 3.25Å; I374-C411 HydrophobicContact CD1-CB 4.3Å; I374-I418 HydrophobicContact CD1-CD1 4.44Å; I374-I418 HydrophobicContact CD1-CG2 3.68Å; I374-I420 HydrophobicContact CB-CD1 4.07Å; I374-I420 HydrophobicContact CG2-CD1 3.35Å; I374-W443 HydrophobicContact CD1-CH2 4.1Å; I374-W443 HydrophobicContact CG1-CH2 4.47Å; I374-W443 HydrophobicContact CG2-CH2 3.88Å; I374-W443 HydrophobicContact CG2-CZ2 4.01Å
375G98.5Very high97.5Very high0 Ų036.6 Ų36.60%019%0.19CC..  trans63.2-146176.700000113.6R359 L383 T385 R406R359-G375 PolarHBondContact NH1-O 3.34Å; G375-L383 WeakPolarHBondContact CA-O 3.31Å; G375-T385 PolarHBondContact N-O 3.1Å; G375-T385 VanDerWaalsContact N-O 3.1Å; G375-R406 WeakPolarHBondContact CA-O 3.41Å
376G98.3Very high97.5Very high0 Ų036.2 Ų36.20%019%0.188CC..  trans97.6-165.6-177.400000113.4C360 R382 L383 R406C360-G376 CarbonylContact O-C 3.58Å; C360-G376 WeakPolarHBondContact O-CA 3.2Å; G376-R382 WeakPolarHBondContact O-CA 3.38Å; G376-L383 PolarHBondContact O-N 2.84Å; G376-R406 PolarHBondContact N-O 2.78Å
377Y97.9Very high97.6Very high51 Ų5134.6 Ų34.620%0.218%0.178CC..BIsolated β-bridgetrans-130.7131.6-178.9-179.8-111.4000109.8H335 C360 G379 H380 M381 R382H335-Y377 AromaticContact CD2-CD1 3.92Å; H335-Y377 AromaticContact NE2-CD1 3.66Å; H335-Y377 AromaticContact NE2-CE1 3.66Å; C360-Y377 PolarHBondContact N-O 3.34Å; C360-Y377 PolarHBondContact O-N 2.99Å; C360-Y377 PolarHBondContact SG-O 2.74Å; Y377-G379 PolarHBondContact OH-O 2.7Å; Y377-H380 VanDerWaalsContact CE2-C 3.47Å; Y377-H380 PolarHBondContact OH-N 3.01Å; Y377-M381 VanDerWaalsContact CD2-O 3.23Å; Y377-M381 WeakPolarHBondContact CD2-O 3.11Å; Y377-R382 HydrophobicContact CD2-CG 4.24Å
378D96Very high97.6Very high25 Ų2535.5 Ų35.513%0.13418%0.181CC..  trans-967.4-175.967.50.6000113.8Q358 H380 M381 L383Q358-D378 HydrophobicContact CB-CB 4.25Å; Q358-D378 VanDerWaalsContact O-CA 3.3Å; Q358-D378 WeakPolarHBondContact O-CA 3.24Å; Q358-D378 VanDerWaalsContact O-CB 3.3Å; Q358-D378 WeakPolarHBondContact O-CB 3.39Å; Q358-D378 PolarHBondContact OE1-O 2.9Å; D378-H380 WeakPolarHBondContact OD1-CA 3.42Å; D378-H380 WeakPolarHBondContact OD1-CB 3.08Å; D378-H380 PolarHBondContact OD1-N 3.3Å; D378-M381 PolarHBondContact N-O 2.97Å; D378-M381 PolarHBondContact OD1-N 3.5Å; D378-M381 VanDerWaalsContact OD1-O 3.13Å; D378-M381 WeakPolarHBondContact OD2-CG 3.45Å; D378-L383 HydrophobicContact CB-CD1 4.32Å; D378-L383 HydrophobicContact CB-CD2 4.38Å
379G94.1Very high97.7Very high19 Ų1931 Ų3120%0.19616%0.157CC..SBendtrans96.6-12.7-172.100000113.8Y377Y377-G379 PolarHBondContact OH-O 2.7Å
380H93.3Very high97.7Very high164 Ų16433.4 Ų33.476%0.75916%0.157SC*.SBendtrans-128.5-49.9-179.8-58.3-43.9000112.8Y377 D378Y377-H380 VanDerWaalsContact CE2-C 3.47Å; Y377-H380 PolarHBondContact OH-N 3.01Å; D378-H380 WeakPolarHBondContact OD1-CA 3.42Å; D378-H380 WeakPolarHBondContact OD1-CB 3.08Å; D378-H380 PolarHBondContact OD1-N 3.3Å
381M95.8Very high97.7Very high106 Ų10631.1 Ų31.152%0.52215%0.151SC..SBendtrans-134.2155.6-174.861.2-173-6300112.4Y377 D378 L383Y377-M381 VanDerWaalsContact CD2-O 3.23Å; Y377-M381 WeakPolarHBondContact CD2-O 3.11Å; D378-M381 PolarHBondContact N-O 2.97Å; D378-M381 PolarHBondContact OD1-N 3.5Å; D378-M381 VanDerWaalsContact OD1-O 3.13Å; D378-M381 WeakPolarHBondContact OD2-CG 3.45Å; M381-L383 HydrophobicContact CG-CD2 4.23Å
382R97.6Very high97.6Very high73 Ų7337 Ų3728%0.27518%0.178SC..BIsolated β-bridgetrans-81.8139.9172.2-71.577.3-179.3-1733.8107.3G376 Y377 Q405G376-R382 WeakPolarHBondContact O-CA 3.38Å; Y377-R382 HydrophobicContact CD2-CG 4.24Å; R382-Q405 HydrophobicContact CB-CB 4.48Å; R382-Q405 HydrophobicContact CB-CG 4.31Å
383L98.3Very high97.5Very high8 Ų841.6 Ų41.64%0.04220%0.203CC..  trans-99.1137.4-171.2-57.3176.2000110.5R359 G375 G376 D378 M381 R406R359-L383 HydrophobicContact CG-CD1 4.01Å; G375-L383 WeakPolarHBondContact CA-O 3.31Å; G376-L383 PolarHBondContact O-N 2.84Å; D378-L383 HydrophobicContact CB-CD1 4.32Å; D378-L383 HydrophobicContact CB-CD2 4.38Å; M381-L383 HydrophobicContact CG-CD2 4.23Å; L383-R406 PolarHBondContact O-N 3.11Å; L383-R406 VanDerWaalsContact O-N 3.1Å
384S98.3Very high97.5Very high36 Ų3645.3 Ų45.325%0.25222%0.223SC..  trans-95.8-8.9159.158.80000112P401 M402S384-P401 CarbonylContact O-C 3.54Å; S384-P401 WeakPolarHBondContact O-CA 3.4Å; S384-M402 PolarHBondContact O-N 2.86Å
385T98.6Very high97.4Very high31 Ų3150.1 Ų50.119%0.1925%0.245CC..  trans-71.1151.5-177.966.50000111.4Y357 R359 G375Y357-T385 HydrophobicContact CE2-CG2 4.23Å; R359-T385 PolarHBondContact NH1-O 2.77Å; R359-T385 PolarHBondContact NH1-OG1 2.88Å; R359-T385 PolarHBondContact NH2-OG1 2.8Å; R359-T385 VanDerWaalsContact NH2-OG1 3.08Å; G375-T385 PolarHBondContact N-O 3.1Å; G375-T385 VanDerWaalsContact N-O 3.1Å
386A98.6Very high97.4Very high0 Ų050.4 Ų50.40%025%0.246CC..EExtended strand (participates in β ladder)trans-140.6155.2173.700000110.3A373 I374 I399 W443A373-A386 WeakPolarHBondContact O-CA 3.33Å; I374-A386 HydrophobicContact CB-CB 4.26Å; I374-A386 HydrophobicContact CG1-CB 3.95Å; I374-A386 HydrophobicContact CG2-CB 4.11Å; A386-I399 HydrophobicContact CB-CD1 3.71Å; A386-I399 HydrophobicContact CB-CG1 3.64Å; A386-I399 VanDerWaalsContact O-CG1 3.31Å; A386-I399 WeakPolarHBondContact O-CG1 3.47Å; A386-I399 PolarHBondContact O-N 3.3Å; A386-W443 HydrophobicContact CB-CZ2 4.25Å
387E98.7Very high97.5Very high0 Ų052.6 Ų52.60%026%0.26CS..EExtended strand (participates in β ladder)trans-147.6152.2-179.154.3-164.4132.800110.2M355 Y356 R359 Y372 A373 W396 T397 L398M355-E387 WeakPolarHBondContact CB-OE1 3.18Å; Y356-E387 VanDerWaalsContact CD2-OE2 3.32Å; Y356-E387 WeakPolarHBondContact CD2-OE2 3.36Å; Y356-E387 PolarHBondContact N-OE2 3.23Å; R359-E387 IonicContact CZ-OE1 3.06Å; R359-E387 VanDerWaalsContact CZ-OE1 3.27Å; R359-E387 IonicContact NE-OE1 3.18Å; R359-E387 PolarHBondContact NE-OE1 2.86Å; R359-E387 IonicContact NH2-OE1 2.78Å; R359-E387 PolarHBondContact NH2-OE1 2.82Å; Y372-E387 CarbonylContact C-O 3.57Å; Y372-E387 WeakPolarHBondContact CA-O 3.5Å; A373-E387 HydrophobicContact CB-CG 4.22Å; A373-E387 PolarHBondContact N-O 2.75Å; A373-E387 PolarHBondContact O-N 3.14Å; E387-W396 HydrophobicContact CB-CE3 3.99Å; E387-W396 HydrophobicContact CG-CD2 4.45Å; E387-W396 HydrophobicContact CG-CE3 3.54Å; E387-W396 HydrophobicContact CG-CZ3 3.87Å; E387-T397 CarbonylContact C-O 3.58Å; E387-T397 WeakPolarHBondContact CA-O 3.34Å; E387-T397 WeakPolarHBondContact CB-O 3.42Å; E387-L398 HydrophobicContact CB-CD2 4.19Å
388Y98.6Very high97.5Very high29 Ų2954 Ų5411%0.11427%0.27CS..EExtended strand (participates in β ladder)trans-118.4152.4170.670.9-106.4000111.9Y370 I371 Y372 R390 W396 T397 I399Y370-Y388 HydrophobicContact CD2-CD2 4.37Å; Y370-Y388 HydrophobicContact CG-CD2 4.35Å; I371-Y388 CarbonylContact O-C 3.57Å; I371-Y388 WeakPolarHBondContact O-CA 3.43Å; I371-Y388 WeakPolarHBondContact O-CB 3.34Å; Y372-Y388 AromaticContact CE1-CD1 3.9Å; Y372-Y388 HydrophobicContact CE1-CD1 3.9Å; Y372-Y388 HydrophobicContact CE1-CG 4.16Å; Y388-R390 HydrophobicContact CD2-CG 3.98Å; Y388-R390 HydrophobicContact CE2-CG 3.68Å; Y388-R390 VanDerWaalsContact CE2-NE 3.3Å; Y388-R390 PolarHBondContact OH-NH2 2.94Å; Y388-W396 CarbonylContact O-C 3.6Å; Y388-W396 VanDerWaalsContact O-CA 3.26Å; Y388-W396 WeakPolarHBondContact O-CA 3.07Å; Y388-T397 HydrophobicContact CE1-CG2 4.27Å; Y388-T397 PolarHBondContact N-O 2.77Å; Y388-T397 PolarHBondContact O-N 3.37Å; Y388-T397 WeakPolarHBondContact OH-CG2 3.49Å; Y388-I399 HydrophobicContact CD1-CG2 3.42Å; Y388-I399 VanDerWaalsContact CD1-CG2 3.42Å; Y388-I399 HydrophobicContact CE1-CG2 3.61Å
389Y98.8Very high97.6Very high4 Ų453.6 Ų53.62%0.01627%0.268CS..EExtended strand (participates in β ladder)trans-109.2132.9176.5176.5-106.6000110.5Y325 V352 A353 Y370 I371 P391 N394 Q395 W396Y325-Y389 AromaticContact CE1-CE1 3.9Å; Y325-Y389 HydrophobicContact CE1-CE1 3.9Å; V352-Y389 HydrophobicContact CG2-CE2 4.45Å; A353-Y389 HydrophobicContact CB-CE2 4.27Å; Y370-Y389 WeakPolarHBondContact CA-O 3.28Å; I371-Y389 HydrophobicContact CD1-CD1 4.1Å; I371-Y389 PolarHBondContact N-O 2.88Å; I371-Y389 VanDerWaalsContact N-O 3.14Å; I371-Y389 PolarHBondContact O-N 3.29Å; Y389-P391 HydrophobicContact CD1-CG 4.11Å; Y389-P391 VanDerWaalsContact CE1-CA 3.49Å; Y389-P391 HydrophobicContact CE1-CB 4.07Å; Y389-P391 HydrophobicContact CE1-CG 4.03Å; Y389-P391 WeakPolarHBondContact O-CD 3.35Å; Y389-N394 WeakPolarHBondContact CE2-OD1 3.25Å; Y389-N394 WeakPolarHBondContact OH-CA 3.11Å; Y389-N394 PolarHBondContact OH-OD1 3Å; Y389-Q395 WeakPolarHBondContact CA-O 3.49Å; Y389-W396 AromaticContact CD2-CD1 3.74Å; Y389-W396 HydrophobicContact CD2-CD2 4.12Å; Y389-W396 AromaticContact CD2-CE2 3.73Å; Y389-W396 HydrophobicContact CD2-CG 4.13Å; Y389-W396 HydrophobicContact CD2-CZ2 4.27Å; Y389-W396 AromaticContact CD2-NE1 3.48Å; Y389-W396 HydrophobicContact CG-CD2 4.33Å; Y389-W396 AromaticContact CG-CE2 3.93Å; Y389-W396 HydrophobicContact CG-CZ2 4.05Å
390R98Very high97.8Very high79 Ų7953.7 Ų53.730%0.29827%0.267SS..EExtended strand (participates in β ladder)trans-100.2107.6171.7-64-175.9176.8179.24.9109.1Y370 Y388 E392 L393 N394 Q395Y370-R390 HydrophobicContact CD1-CB 4.35Å; Y370-R390 HydrophobicContact CD1-CG 3.8Å; Y370-R390 HydrophobicContact CE1-CB 4.37Å; Y370-R390 HydrophobicContact CE1-CG 3.78Å; Y370-R390 HydrophobicContact CG-CG 4.32Å; Y388-R390 HydrophobicContact CD2-CG 3.98Å; Y388-R390 HydrophobicContact CE2-CG 3.68Å; Y388-R390 VanDerWaalsContact CE2-NE 3.3Å; Y388-R390 PolarHBondContact OH-NH2 2.94Å; R390-E392 PolarHBondContact O-N 3.27Å; R390-L393 HydrophobicContact CB-CB 4.25Å; R390-L393 HydrophobicContact CB-CG 4.45Å; R390-L393 PolarHBondContact O-N 3.35Å; R390-N394 PolarHBondContact O-N 2.83Å; R390-Q395 PolarHBondContact N-O 2.75Å
391P96.8Very high98.1Very high21 Ų2149.6 Ų49.614%0.13626%0.255CS..THydrogen-bonded Turntrans-56.7-32.7-178.7-25.634.7000114.1L320 Y389L320-P391 HydrophobicContact CD2-CG 3.66Å; Y389-P391 HydrophobicContact CD1-CG 4.11Å; Y389-P391 VanDerWaalsContact CE1-CA 3.49Å; Y389-P391 HydrophobicContact CE1-CB 4.07Å; Y389-P391 HydrophobicContact CE1-CG 4.03Å; Y389-P391 WeakPolarHBondContact O-CD 3.35Å
392E96.4Very high98.2Very high124 Ų12445 Ų4558%0.57923%0.232SC*.THydrogen-bonded Turntrans-71.6-33.3-176.3-54.869.8-146.800111.7R390R390-E392 PolarHBondContact O-N 3.27Å
393L97.4Very high98.2Very high104 Ų10447.4 Ų47.455%0.54525%0.246SC..THydrogen-bonded Turntrans-98.5-9.7-179.8-59.2-178.2000112.7R390 Q395R390-L393 HydrophobicContact CB-CB 4.25Å; R390-L393 HydrophobicContact CB-CG 4.45Å; R390-L393 PolarHBondContact O-N 3.35Å; L393-Q395 VanDerWaalsContact C-N 3.26Å; L393-Q395 HydrophobicContact CB-CB 4.18Å; L393-Q395 PolarHBondContact O-N 3Å
394N97.9Very high98.1Very high78 Ų7850.1 Ų50.142%0.41726%0.259SS..THydrogen-bonded Turntrans48.350.4-170.7-174.628.1000111.5V352 A353 Y389 R390V352-N394 WeakPolarHBondContact CB-OD1 3.46Å; A353-N394 WeakPolarHBondContact CB-O 3.45Å; A353-N394 WeakPolarHBondContact CB-OD1 3.37Å; A353-N394 PolarHBondContact N-OD1 2.76Å; Y389-N394 WeakPolarHBondContact CE2-OD1 3.25Å; Y389-N394 WeakPolarHBondContact OH-CA 3.11Å; Y389-N394 PolarHBondContact OH-OD1 3Å; R390-N394 PolarHBondContact O-N 2.83Å
395Q98.3Very high98.1Very high100 Ų10052 Ų5247%0.46726%0.264SS..EExtended strand (participates in β ladder)trans-142.9138.8-173.1-170176.98.800112.1Y389 R390 L393Y389-Q395 WeakPolarHBondContact CA-O 3.49Å; R390-Q395 PolarHBondContact N-O 2.75Å; L393-Q395 VanDerWaalsContact C-N 3.26Å; L393-Q395 HydrophobicContact CB-CB 4.18Å; L393-Q395 PolarHBondContact O-N 3Å
396W98.7Very high98.1Very high6 Ų650.6 Ų50.62%0.02326%0.255CS..EExtended strand (participates in β ladder)trans-89.8147.5170.8-7090.4000111.7I327 V339 A353 P354 M355 Y356 I371 A373 E387 Y388 Y389I327-W396 HydrophobicContact CG2-CH2 4.42Å; V339-W396 HydrophobicContact CG2-CZ2 3.65Å; A353-W396 VanDerWaalsContact O-CD1 3.32Å; A353-W396 PolarHBondContact O-NE1 2.9Å; P354-W396 VanDerWaalsContact C-CD1 3.47Å; M355-W396 HydrophobicContact CG-CD2 3.91Å; M355-W396 HydrophobicContact CG-CE3 4.18Å; M355-W396 HydrophobicContact CG-CH2 3.88Å; M355-W396 HydrophobicContact CG-CZ2 3.59Å; M355-W396 HydrophobicContact CG-CZ3 4.16Å; M355-W396 HydrophobicContact SD-CH2 4.22Å; M355-W396 HydrophobicContact SD-CZ2 4.37Å; Y356-W396 HydrophobicContact CD2-CB 4.07Å; Y356-W396 HydrophobicContact CE2-CB 4.01Å; Y356-W396 WeakPolarHBondContact CE2-O 3.49Å; I371-W396 HydrophobicContact CG2-CH2 4.39Å; A373-W396 HydrophobicContact CB-CH2 3.87Å; A373-W396 HydrophobicContact CB-CZ3 3.73Å; E387-W396 HydrophobicContact CB-CE3 3.99Å; E387-W396 HydrophobicContact CG-CD2 4.45Å; E387-W396 HydrophobicContact CG-CE3 3.54Å; E387-W396 HydrophobicContact CG-CZ3 3.87Å; Y388-W396 CarbonylContact O-C 3.6Å; Y388-W396 VanDerWaalsContact O-CA 3.26Å; Y388-W396 WeakPolarHBondContact O-CA 3.07Å; Y389-W396 AromaticContact CD2-CD1 3.74Å; Y389-W396 HydrophobicContact CD2-CD2 4.12Å; Y389-W396 AromaticContact CD2-CE2 3.73Å; Y389-W396 HydrophobicContact CD2-CG 4.13Å; Y389-W396 HydrophobicContact CD2-CZ2 4.27Å; Y389-W396 AromaticContact CD2-NE1 3.48Å; Y389-W396 HydrophobicContact CG-CD2 4.33Å; Y389-W396 AromaticContact CG-CE2 3.93Å; Y389-W396 HydrophobicContact CG-CZ2 4.05Å
397T98.6Very high98.1Very high47 Ų4750.8 Ų50.829%0.28826%0.256SS..EExtended strand (participates in β ladder)trans-135.8131.5174.4-55.50000109.4E387 Y388E387-T397 CarbonylContact C-O 3.58Å; E387-T397 WeakPolarHBondContact CA-O 3.34Å; E387-T397 WeakPolarHBondContact CB-O 3.42Å; Y388-T397 HydrophobicContact CE1-CG2 4.27Å; Y388-T397 PolarHBondContact N-O 2.77Å; Y388-T397 PolarHBondContact O-N 3.37Å; Y388-T397 WeakPolarHBondContact OH-CG2 3.49Å
398L98.6Very high98Very high79 Ų7952 Ų5241%0.41426%0.263SS..EExtended strand (participates in β ladder)trans-69.8141.2174.9-64.6171.6000110.7Y356 Y357 E387Y356-L398 HydrophobicContact CD2-CD2 4.18Å; Y356-L398 HydrophobicContact CD2-CG 4.15Å; Y356-L398 HydrophobicContact CE2-CG 4.47Å; Y356-L398 HydrophobicContact CG-CD2 4.26Å; Y356-L398 HydrophobicContact CG-CG 4.37Å; Y357-L398 HydrophobicContact CD2-CD2 4.21Å; Y357-L398 HydrophobicContact CE2-CD2 3.78Å; E387-L398 HydrophobicContact CB-CD2 4.19Å
399I98.6Very high98Very high17 Ų1751 Ų519%0.08726%0.261CS..EExtended strand (participates in β ladder)trans-115.6177.8171.358.3164.8000110.5Y372 A386 Y388 Y436 N441Y372-I399 HydrophobicContact CD1-CD1 3.97Å; Y372-I399 HydrophobicContact CE1-CD1 4.08Å; A386-I399 HydrophobicContact CB-CD1 3.71Å; A386-I399 HydrophobicContact CB-CG1 3.64Å; A386-I399 VanDerWaalsContact O-CG1 3.31Å; A386-I399 WeakPolarHBondContact O-CG1 3.47Å; A386-I399 PolarHBondContact O-N 3.3Å; Y388-I399 HydrophobicContact CD1-CG2 3.42Å; Y388-I399 VanDerWaalsContact CD1-CG2 3.42Å; Y388-I399 HydrophobicContact CE1-CG2 3.61Å; I399-Y436 HydrophobicContact CB-CE2 4.34Å; I399-Y436 HydrophobicContact CD1-CD1 4.3Å; I399-Y436 HydrophobicContact CD1-CD2 4.14Å; I399-Y436 HydrophobicContact CD1-CE1 3.96Å; I399-Y436 HydrophobicContact CD1-CE2 3.79Å; I399-Y436 HydrophobicContact CD1-CG 4.38Å; I399-N441 WeakPolarHBondContact CB-OD1 3.26Å
400A98.5Very high98Very high22 Ų2252.5 Ų52.518%0.18227%0.269CS..PPolyproline II helixtrans-54.9139.217600000111.4N441 W443A400-N441 WeakPolarHBondContact CB-O 3.45Å; A400-N441 PolarHBondContact N-OD1 3.44Å; A400-W443 VanDerWaalsContact O-CD1 3.28Å; A400-W443 PolarHBondContact O-NE1 2.85Å
401P98.6Very high98Very high78 Ų7849 Ų4951%0.50626%0.256SS..PPolyproline II helixtrans-71.4152.217531.3-34.7000110.9S384 W443S384-P401 CarbonylContact O-C 3.54Å; S384-P401 WeakPolarHBondContact O-CA 3.4Å; P401-W443 VanDerWaalsContact C-CD1 3.44Å
402M98.6Very high98.1Very high8 Ų848.6 Ų48.64%0.03925%0.254CS..PPolyproline II helixtrans-63.1159.6170-65.3178.1-69.300111.2I374 S384 E404 R406 I420 W443I374-M402 HydrophobicContact CG2-CE 3.71Å; I374-M402 HydrophobicContact CG2-CG 4.4Å; I374-M402 HydrophobicContact CG2-SD 3.49Å; I374-M402 WeakPolarHBondContact CG2-SD 3.25Å; S384-M402 PolarHBondContact O-N 2.86Å; M402-E404 VanDerWaalsContact C-N 3.34Å; M402-E404 WeakPolarHBondContact CB-O 3.39Å; M402-R406 HydrophobicContact CE-CG 3.57Å; M402-R406 HydrophobicContact SD-CG 3.98Å; M402-I420 HydrophobicContact SD-CD1 3.81Å; M402-I420 HydrophobicContact SD-CG2 3.77Å; M402-W443 HydrophobicContact CB-CD2 4.4Å; M402-W443 HydrophobicContact CB-CG 4.49Å; M402-W443 HydrophobicContact CG-CD2 3.63Å; M402-W443 VanDerWaalsContact CG-CE2 3.48Å; M402-W443 HydrophobicContact CG-CE3 3.95Å; M402-W443 HydrophobicContact CG-CG 4.18Å; M402-W443 HydrophobicContact CG-CH2 4.01Å; M402-W443 HydrophobicContact CG-CZ2 3.68Å; M402-W443 HydrophobicContact CG-CZ3 4.15Å; M402-W443 HydrophobicContact SD-CH2 4.23Å; M402-W443 HydrophobicContact SD-CZ2 4.35Å; M402-W443 HydrophobicContact SD-CZ3 4.44Å
403H98.1Very high98.2Very high124 Ų12444.7 Ų44.757%0.57424%0.238SC*.SBendtrans-68.7-37.4171.6-66.4-71.6000111.2E434 W443 M445H403-E434 VanDerWaalsContact CB-OE2 3.29Å; H403-E434 WeakPolarHBondContact CB-OE2 3.4Å; H403-E434 IonicContact CD2-OE2 3.49Å; H403-E434 PolarHBondContact CD2-OE2 2.9Å; H403-E434 IonicContact CG-OE2 2.87Å; H403-E434 PolarHBondContact N-OE2 3.02Å; H403-W443 PolarHBondContact NE2-O 3.44Å; H403-M445 HydrophobicContact CB-SD 4.08Å
404E96.4Very high98.3Very high66 Ų6640.7 Ų40.731%0.30822%0.217SC..SBendtrans-107.8135.8177.7-70.6-68.2163.700112.4M402 L430 E434M402-E404 VanDerWaalsContact C-N 3.34Å; M402-E404 WeakPolarHBondContact CB-O 3.39Å; E404-L430 HydrophobicContact CB-CD1 4.42Å; E404-E434 PolarHBondContact N-OE1 3.06Å
405Q97.8Very high98.2Very high76 Ų7642.2 Ų42.236%0.35523%0.226SC..  trans-76.1135.8167.770.2-17745.600110.2R382 N425R382-Q405 HydrophobicContact CB-CB 4.48Å; R382-Q405 HydrophobicContact CB-CG 4.31Å; Q405-N425 HydrophobicContact CG-CB 4.07Å; Q405-N425 PolarHBondContact NE2-O 2.75Å; Q405-N425 WeakPolarHBondContact O-CA 3.44Å; Q405-N425 VanDerWaalsContact O-CB 3.32Å; Q405-N425 WeakPolarHBondContact O-CB 3.49Å
406R98.1Very high98.2Very high1 Ų142.5 Ų42.50%0.00423%0.23CC..  trans-151.3127-174.455.7-177.682.1-145.412.7112.4G375 G376 L383 M402 A409 I420 G422 L430 T432 E434G375-R406 WeakPolarHBondContact CA-O 3.41Å; G376-R406 PolarHBondContact N-O 2.78Å; L383-R406 PolarHBondContact O-N 3.11Å; L383-R406 VanDerWaalsContact O-N 3.1Å; M402-R406 HydrophobicContact CE-CG 3.57Å; M402-R406 HydrophobicContact SD-CG 3.98Å; R406-A409 HydrophobicContact CB-CB 4.1Å; R406-A409 HydrophobicContact CG-CB 3.94Å; R406-I420 HydrophobicContact CG-CD1 4.33Å; R406-G422 PolarHBondContact NH1-O 2.91Å; R406-L430 HydrophobicContact CB-CD1 4Å; R406-T432 PolarHBondContact NH1-O 3.49Å; R406-T432 VanDerWaalsContact NH1-O 3.09Å; R406-E434 IonicContact CZ-OE1 3.63Å; R406-E434 IonicContact NE-OE1 3.3Å; R406-E434 IonicContact NH2-OE1 2.89Å; R406-E434 PolarHBondContact NH2-OE1 3.43Å
407S98Very high98.1Very high4 Ų445.3 Ų45.33%0.02824%0.243CC..BIsolated β-bridgetrans-102166.2156.974.40000109.4A409 G423 F424S407-A409 PolarHBondContact O-N 2.98Å; S407-G423 CarbonylContact O-C 3.55Å; S407-G423 WeakPolarHBondContact O-CA 3.05Å; S407-F424 PolarHBondContact N-O 2.82Å; S407-F424 PolarHBondContact O-N 2.87Å
408D97.8Very high98.2Very high25 Ų2543.1 Ų43.113%0.13423%0.229CC..SBendtrans57.518.5175.1-62.3-99.3000113.7Y361 G455 N502Y361-D408 WeakPolarHBondContact CD1-OD1 3.43Å; Y361-D408 WeakPolarHBondContact CD1-OD2 3.45Å; Y361-D408 VanDerWaalsContact CE1-OD1 3.23Å; Y361-D408 WeakPolarHBondContact CE1-OD1 3.39Å; Y361-D408 PolarHBondContact O-N 2.89Å; D408-G455 WeakPolarHBondContact O-CA 3.42Å; D408-G455 PolarHBondContact O-N 2.65Å; D408-N502 PolarHBondContact OD1-OD1 2.86Å
409A98.3Very high98.2Very high9 Ų939.5 Ų39.57%0.07421%0.21CC..  trans-82.3170.7168.900000109.1S363 R406 S407 I420 G422S363-A409 PolarHBondContact OG-O 2.83Å; R406-A409 HydrophobicContact CB-CB 4.1Å; R406-A409 HydrophobicContact CG-CB 3.94Å; S407-A409 PolarHBondContact O-N 2.98Å; A409-I420 HydrophobicContact CB-CD1 4.09Å; A409-I420 HydrophobicContact CB-CG1 4Å; A409-G422 WeakPolarHBondContact CB-O 3.28Å
410N98.5Very high98.2Very high34 Ų3438.7 Ų38.718%0.18221%0.206CC..EExtended strand (participates in β ladder)trans-140.7153.8170.3-159.1-18.1000110.1S363 C421 I456 V458S363-N410 WeakPolarHBondContact OG-CA 3.49Å; S363-N410 PolarHBondContact OG-N 2.62Å; N410-C421 PolarHBondContact O-N 2.86Å; N410-I456 HydrophobicContact CB-CG2 4.06Å; N410-I456 WeakPolarHBondContact CB-O 3.46Å; N410-I456 PolarHBondContact ND2-O 3.47Å; N410-V458 HydrophobicContact CB-CB 3.8Å; N410-V458 HydrophobicContact CB-CG2 3.83Å; N410-V458 PolarHBondContact ND2-N 3.17Å; N410-V458 WeakPolarHBondContact O-CG2 3.32Å
411C98.6Very high98.2Very high5 Ų537.7 Ų37.73%0.03420%0.197CC..EExtended strand (participates in β ladder)trans-134155.4-173.2690000112.2S363 V364 I374 I418 Y419 I420S363-C411 WeakPolarHBondContact CB-SG 3.39Å; V364-C411 VanDerWaalsContact C-SG 3.5Å; V364-C411 PolarHBondContact O-SG 2.89Å; I374-C411 HydrophobicContact CD1-CB 4.3Å; C411-I418 HydrophobicContact CB-CG2 4.16Å; C411-Y419 CarbonylContact C-O 3.43Å; C411-Y419 WeakPolarHBondContact CA-O 3.45Å; C411-Y419 WeakPolarHBondContact CB-O 3.34Å; C411-I420 HydrophobicContact CB-CB 4.05Å; C411-I420 HydrophobicContact CB-CD1 4.28Å; C411-I420 HydrophobicContact CB-CG1 4.07Å
412T98.6Very high98.2Very high14 Ų1434 Ų349%0.08617%0.173CC..EExtended strand (participates in β ladder)trans-149.3166175.7-162.10000111I418 Y419 V458 A460 V465T412-I418 CarbonylContact O-C 3.6Å; T412-I418 WeakPolarHBondContact O-CA 3.44Å; T412-Y419 PolarHBondContact N-O 2.84Å; T412-Y419 PolarHBondContact O-N 3.48Å; T412-V458 HydrophobicContact CG2-CG1 3.88Å; T412-A460 HydrophobicContact CG2-CB 3.94Å; T412-A460 WeakPolarHBondContact OG1-CB 3.35Å; T412-A460 PolarHBondContact OG1-N 2.98Å; T412-V465 HydrophobicContact CG2-CB 4.46Å; T412-V465 HydrophobicContact CG2-CG1 3.83Å; T412-V465 HydrophobicContact CG2-CG2 4.05Å
413T98.5Very high98.2Very high41 Ų4133.6 Ų33.625%0.25217%0.171SC..EExtended strand (participates in β ladder)trans-110.9129.5-18047.60000111.3T365 V366 L367 K417 I418 A460T365-T413 HydrophobicContact CG2-CG2 3.7Å; T365-T413 VanDerWaalsContact OG1-CG2 3.25Å; T365-T413 WeakPolarHBondContact OG1-CG2 3.16Å; V366-T413 WeakPolarHBondContact O-CG2 3.42Å; V366-T413 PolarHBondContact O-OG1 3.4Å; L367-T413 HydrophobicContact CB-CG2 3.89Å; L367-T413 HydrophobicContact CD1-CG2 4.5Å; T413-K417 VanDerWaalsContact CA-O 3.31Å; T413-K417 WeakPolarHBondContact CA-O 3.44Å; T413-I418 HydrophobicContact CG2-CG1 3.79Å; T413-A460 VanDerWaalsContact O-CB 3.23Å; T413-A460 WeakPolarHBondContact O-CB 3.5Å
414L98.4Very high98.2Very high21 Ų2130.1 Ų30.111%0.1115%0.154CC..EExtended strand (participates in β ladder)trans-148.4136.5177.1-179.266.7000109N416 K417 Y419 A460 V465 P485L414-N416 VanDerWaalsContact C-N 3.35Å; L414-N416 PolarHBondContact O-N 2.84Å; L414-K417 PolarHBondContact N-O 3.23Å; L414-K417 PolarHBondContact O-N 3.03Å; L414-Y419 HydrophobicContact CB-CD2 4.14Å; L414-Y419 HydrophobicContact CB-CE2 3.88Å; L414-Y419 WeakPolarHBondContact O-CE2 3.19Å; L414-A460 HydrophobicContact CB-CB 4.08Å; L414-A460 HydrophobicContact CD1-CB 4.33Å; L414-V465 HydrophobicContact CB-CG2 4.3Å; L414-V465 HydrophobicContact CD2-CG2 3.75Å; L414-P485 HydrophobicContact CD2-CG 3.7Å
415N96.8Very high98.2Very high110 Ų11028.1 Ų28.159%0.58815%0.146SC*.THydrogen-bonded Turntrans49.250.4176.2-58.9-13.4000113.5K417N415-K417 PolarHBondContact O-N 3.28Å; N415-K417 VanDerWaalsContact O-N 3.16Å
416N97.2Very high98.1Very high106 Ų10625.4 Ų25.457%0.56714%0.138SC*.THydrogen-bonded Turntrans57.622.4-179-64.4-14.3000115.9L414 P438L414-N416 VanDerWaalsContact C-N 3.35Å; L414-N416 PolarHBondContact O-N 2.84Å; N416-P438 WeakPolarHBondContact O-CD 3.31Å
417K98.5Very high97.9Very high65 Ų6533 Ų3328%0.28317%0.173SC..EExtended strand (participates in β ladder)trans-126.2154.4176.1-66.1173.5178.9-178.20110.1T413 L414 N415 Y419 Y435 Y436T413-K417 VanDerWaalsContact CA-O 3.31Å; T413-K417 WeakPolarHBondContact CA-O 3.44Å; L414-K417 PolarHBondContact N-O 3.23Å; L414-K417 PolarHBondContact O-N 3.03Å; N415-K417 PolarHBondContact O-N 3.28Å; N415-K417 VanDerWaalsContact O-N 3.16Å; K417-Y419 HydrophobicContact CB-CD2 4.48Å; K417-Y419 HydrophobicContact CB-CE2 3.83Å; K417-Y435 HydrophobicContact CB-CD2 4.44Å; K417-Y435 HydrophobicContact CD-CD2 3.7Å; K417-Y435 HydrophobicContact CD-CE2 3.93Å; K417-Y435 HydrophobicContact CD-CG 4.1Å; K417-Y435 HydrophobicContact CG-CD2 4.23Å; K417-Y436 WeakPolarHBondContact CA-O 3.21Å
418I98.9Very high97.8Very high0 Ų037.6 Ų37.60%020%0.198CC..EExtended strand (participates in β ladder)trans-101.3124.2170.8-56.9172.4000107.8T365 L367 Y372 I374 C411 T412 T413 Y435 Y436T365-I418 HydrophobicContact CG2-CB 4.39Å; T365-I418 HydrophobicContact CG2-CD1 3.89Å; T365-I418 HydrophobicContact CG2-CG1 3.93Å; T365-I418 HydrophobicContact CG2-CG2 3.66Å; L367-I418 HydrophobicContact CB-CD1 4.35Å; L367-I418 HydrophobicContact CB-CG1 4.24Å; L367-I418 HydrophobicContact CD2-CD1 4.22Å; L367-I418 HydrophobicContact CD2-CG1 3.75Å; Y372-I418 HydrophobicContact CD1-CD1 3.42Å; Y372-I418 VanDerWaalsContact CD1-CD1 3.42Å; Y372-I418 HydrophobicContact CD2-CD1 3.65Å; Y372-I418 HydrophobicContact CE1-CD1 3.76Å; Y372-I418 HydrophobicContact CE2-CD1 3.99Å; Y372-I418 HydrophobicContact CG-CD1 3.36Å; I374-I418 HydrophobicContact CD1-CD1 4.44Å; I374-I418 HydrophobicContact CD1-CG2 3.68Å; C411-I418 HydrophobicContact CB-CG2 4.16Å; T412-I418 CarbonylContact O-C 3.6Å; T412-I418 WeakPolarHBondContact O-CA 3.44Å; T413-I418 HydrophobicContact CG2-CG1 3.79Å; I418-Y435 CarbonylContact O-C 3.36Å; I418-Y435 WeakPolarHBondContact O-CA 3.42Å; I418-Y435 WeakPolarHBondContact O-CB 3.49Å; I418-Y436 HydrophobicContact CD1-CD1 4.05Å; I418-Y436 HydrophobicContact CG1-CD1 4.49Å; I418-Y436 PolarHBondContact N-O 2.89Å; I418-Y436 VanDerWaalsContact N-O 3.16Å; I418-Y436 PolarHBondContact O-N 3.46Å
419Y98.9Very high97.8Very high4 Ų437 Ų372%0.01620%0.195CC..EExtended strand (participates in β ladder)trans-102134.8173.3-64.5-97.4000108.9C411 T412 L414 K417 E434 Y435 I446 V465 Y483C411-Y419 CarbonylContact C-O 3.43Å; C411-Y419 WeakPolarHBondContact CA-O 3.45Å; C411-Y419 WeakPolarHBondContact CB-O 3.34Å; T412-Y419 PolarHBondContact N-O 2.84Å; T412-Y419 PolarHBondContact O-N 3.48Å; L414-Y419 HydrophobicContact CB-CD2 4.14Å; L414-Y419 HydrophobicContact CB-CE2 3.88Å; L414-Y419 WeakPolarHBondContact O-CE2 3.19Å; K417-Y419 HydrophobicContact CB-CD2 4.48Å; K417-Y419 HydrophobicContact CB-CE2 3.83Å; Y419-E434 WeakPolarHBondContact CA-O 3.39Å; Y419-Y435 HydrophobicContact CE1-CD1 4.04Å; Y419-Y435 HydrophobicContact CE1-CG 4.19Å; Y419-I446 HydrophobicContact CD1-CD1 4.19Å; Y419-V465 HydrophobicContact CD1-CG2 4.26Å; Y419-V465 HydrophobicContact CD2-CG2 3.81Å; Y419-V465 HydrophobicContact CE2-CG2 4.33Å; Y419-V465 HydrophobicContact CG-CG2 3.78Å; Y419-Y483 HydrophobicContact CD1-CD1 4.48Å; Y419-Y483 HydrophobicContact CD1-CE1 4.23Å; Y419-Y483 HydrophobicContact CE1-CD1 4.29Å; Y419-Y483 AromaticContact CE1-CE1 3.72Å; Y419-Y483 HydrophobicContact CE1-CE1 3.72Å
420I98.8Very high97.8Very high0 Ų037.2 Ų37.20%020%0.195CC..EExtended strand (participates in β ladder)trans-125.4134.4172-167.7159.3000109.8I374 M402 R406 A409 C411 A433 E434 W443I374-I420 HydrophobicContact CB-CD1 4.07Å; I374-I420 HydrophobicContact CG2-CD1 3.35Å; M402-I420 HydrophobicContact SD-CD1 3.81Å; M402-I420 HydrophobicContact SD-CG2 3.77Å; R406-I420 HydrophobicContact CG-CD1 4.33Å; A409-I420 HydrophobicContact CB-CD1 4.09Å; A409-I420 HydrophobicContact CB-CG1 4Å; C411-I420 HydrophobicContact CB-CB 4.05Å; C411-I420 HydrophobicContact CB-CD1 4.28Å; C411-I420 HydrophobicContact CB-CG1 4.07Å; I420-A433 VanDerWaalsContact O-CA 3.28Å; I420-A433 WeakPolarHBondContact O-CA 3.15Å; I420-E434 HydrophobicContact CG2-CB 4.18Å; I420-E434 PolarHBondContact N-O 2.86Å; I420-E434 PolarHBondContact O-N 2.84Å; I420-W443 HydrophobicContact CB-CZ3 4.22Å; I420-W443 HydrophobicContact CG2-CE3 4.2Å; I420-W443 HydrophobicContact CG2-CH2 4.02Å; I420-W443 HydrophobicContact CG2-CZ3 3.44Å; I420-W443 VanDerWaalsContact CG2-CZ3 3.44Å
421C98.8Very high97.8Very high0 Ų039.8 Ų39.80%021%0.206CC..EExtended strand (participates in β ladder)trans-131140.5-172.1-46.80000111.3N410 A433 M449 V458N410-C421 PolarHBondContact O-N 2.86Å; C421-A433 HydrophobicContact CB-CB 4.04Å; C421-M449 HydrophobicContact CB-CE 4.23Å; C421-M449 HydrophobicContact CB-SD 3.94Å; C421-V458 HydrophobicContact CB-CG2 3.79Å
422G98.5Very high97.8Very high0 Ų040.9 Ų40.90%021%0.212CC..  trans61.3-145.8173.600000113.7R406 A409 L430 T432 R453R406-G422 PolarHBondContact NH1-O 2.91Å; A409-G422 WeakPolarHBondContact CB-O 3.28Å; G422-L430 WeakPolarHBondContact CA-O 3.23Å; G422-T432 PolarHBondContact N-O 3.01Å; G422-R453 CarbonylContact C-O 3.53Å; G422-R453 WeakPolarHBondContact CA-O 3.48Å
423G98.4Very high97.8Very high0 Ų040.2 Ų40.20%021%0.208CC..  trans102.7-164.8-173.500000112.9S407 L430 R453S407-G423 CarbonylContact O-C 3.55Å; S407-G423 WeakPolarHBondContact O-CA 3.05Å; G423-L430 PolarHBondContact O-N 3.41Å; G423-R453 PolarHBondContact N-O 2.98Å
424F98.4Very high97.8Very high51 Ų5138.2 Ų38.222%0.22420%0.196CC..BIsolated β-bridgetrans-131.5124.5-178.3-177.8-116.8000109.2S407 G426 H427 D428S407-F424 PolarHBondContact N-O 2.82Å; S407-F424 PolarHBondContact O-N 2.87Å; F424-G426 VanDerWaalsContact C-N 3.32Å; F424-G426 WeakPolarHBondContact CZ-O 3.44Å; F424-H427 VanDerWaalsContact CE2-C 3.48Å; F424-H427 WeakPolarHBondContact CE2-O 3.47Å; F424-D428 WeakPolarHBondContact CD2-O 3.22Å
425N96.8Very high97.8Very high25 Ų2539.5 Ų39.513%0.13420%0.2CC..  trans-87.5-1.8-178.968.35.9000113.1Q405 H427 D428 L430Q405-N425 HydrophobicContact CG-CB 4.07Å; Q405-N425 PolarHBondContact NE2-O 2.75Å; Q405-N425 WeakPolarHBondContact O-CA 3.44Å; Q405-N425 VanDerWaalsContact O-CB 3.32Å; Q405-N425 WeakPolarHBondContact O-CB 3.49Å; N425-H427 WeakPolarHBondContact OD1-CA 3.32Å; N425-H427 PolarHBondContact OD1-N 3.46Å; N425-D428 PolarHBondContact N-O 3.26Å; N425-D428 PolarHBondContact OD1-N 2.79Å; N425-D428 PolarHBondContact OD1-O 2.82Å; N425-L430 HydrophobicContact CB-CD1 4.27Å; N425-L430 HydrophobicContact CB-CD2 4.14Å; N425-L430 HydrophobicContact CB-CG 4.42Å
426G94.8Very high97.9Very high18 Ų1834.6 Ų34.619%0.18617%0.173CC..SBendtrans106.8-16.5-173.400000114.3F424F424-G426 VanDerWaalsContact C-N 3.32Å; F424-G426 WeakPolarHBondContact CZ-O 3.44Å
427H94.3Very high97.9Very high160 Ų16030.1 Ų30.174%0.74115%0.151SC*.SBendtrans-122.9-52.4176.5-63.5-67.9000111.3F424 N425F424-H427 VanDerWaalsContact CE2-C 3.48Å; F424-H427 WeakPolarHBondContact CE2-O 3.47Å; N425-H427 WeakPolarHBondContact OD1-CA 3.32Å; N425-H427 PolarHBondContact OD1-N 3.46Å
428D96.2Very high97.9Very high102 Ų10228.7 Ų28.755%0.54515%0.148SC..SBendtrans-121.6148.6-171.9-59-60.7000111.9F424 N425F424-D428 WeakPolarHBondContact CD2-O 3.22Å; N425-D428 PolarHBondContact N-O 3.26Å; N425-D428 PolarHBondContact OD1-N 2.79Å; N425-D428 PolarHBondContact OD1-O 2.82Å
429C97.8Very high97.8Very high12 Ų1237 Ų378%0.08119%0.186CC..BIsolated β-bridgetrans-72.3136.1162.6-66.70000108.5Q452 S454 G473C429-Q452 HydrophobicContact CB-CB 4.13Å; C429-Q452 HydrophobicContact CB-CG 3.98Å; C429-Q452 WeakPolarHBondContact O-CB 3.3Å; C429-S454 PolarHBondContact SG-OG 3.06Å; C429-S454 VanDerWaalsContact SG-OG 3.33Å; C429-G473 PolarHBondContact SG-N 2.91Å
430L98.3Very high97.7Very high13 Ų1340.5 Ų40.57%0.06821%0.208CC..  trans-94.7137.4-171.9-61.1177.8000111.6E404 R406 G422 G423 N425 Q452 R453E404-L430 HydrophobicContact CB-CD1 4.42Å; R406-L430 HydrophobicContact CB-CD1 4Å; G422-L430 WeakPolarHBondContact CA-O 3.23Å; G423-L430 PolarHBondContact O-N 3.41Å; N425-L430 HydrophobicContact CB-CD1 4.27Å; N425-L430 HydrophobicContact CB-CD2 4.14Å; N425-L430 HydrophobicContact CB-CG 4.42Å; L430-Q452 WeakPolarHBondContact O-CA 3.42Å; L430-R453 PolarHBondContact O-N 3.47Å
431Q98.1Very high97.7Very high89 Ų8944 Ų4442%0.41623%0.227SC..  trans-94.2-10.5162.667.6179.126.800112.2P448 M449 Q452Q431-P448 HydrophobicContact CG-CB 3.96Å; Q431-P448 WeakPolarHBondContact O-CA 3.4Å; Q431-M449 PolarHBondContact O-N 2.99Å; Q431-Q452 HydrophobicContact CB-CB 4.2Å
432T98.6Very high97.7Very high27 Ų2749.6 Ų49.617%0.16625%0.253CS..  trans-73.9145.1-174.254.30000111.7R406 G422 M445R406-T432 PolarHBondContact NH1-O 3.49Å; R406-T432 VanDerWaalsContact NH1-O 3.09Å; G422-T432 PolarHBondContact N-O 3.01Å; T432-M445 HydrophobicContact CG2-CE 3.84Å
433A98.6Very high97.7Very high0 Ų050.1 Ų50.10%026%0.255CS..EExtended strand (participates in β ladder)trans-136.4150.9174.700000109.8I420 C421 I446 W490I420-A433 VanDerWaalsContact O-CA 3.28Å; I420-A433 WeakPolarHBondContact O-CA 3.15Å; C421-A433 HydrophobicContact CB-CB 4.04Å; A433-I446 VanDerWaalsContact C-CG1 3.49Å; A433-I446 HydrophobicContact CB-CD1 3.7Å; A433-I446 HydrophobicContact CB-CG1 3.64Å; A433-I446 VanDerWaalsContact O-CG1 3.27Å; A433-I446 WeakPolarHBondContact O-CG1 3.34Å; A433-I446 PolarHBondContact O-N 2.87Å; A433-W490 HydrophobicContact CB-CZ2 4.08Å
434E98.6Very high97.7Very high0 Ų052.6 Ų52.60%027%0.271CS..EExtended strand (participates in β ladder)trans-140.3153.1-175.8-62179-108.600109.3H403 E404 R406 Y419 I420 W443 T444 M445H403-E434 VanDerWaalsContact CB-OE2 3.29Å; H403-E434 WeakPolarHBondContact CB-OE2 3.4Å; H403-E434 IonicContact CD2-OE2 3.49Å; H403-E434 PolarHBondContact CD2-OE2 2.9Å; H403-E434 IonicContact CG-OE2 2.87Å; H403-E434 PolarHBondContact N-OE2 3.02Å; E404-E434 PolarHBondContact N-OE1 3.06Å; R406-E434 IonicContact CZ-OE1 3.63Å; R406-E434 IonicContact NE-OE1 3.3Å; R406-E434 IonicContact NH2-OE1 2.89Å; R406-E434 PolarHBondContact NH2-OE1 3.43Å; Y419-E434 WeakPolarHBondContact CA-O 3.39Å; I420-E434 HydrophobicContact CG2-CB 4.18Å; I420-E434 PolarHBondContact N-O 2.86Å; I420-E434 PolarHBondContact O-N 2.84Å; E434-W443 HydrophobicContact CB-CE3 3.91Å; E434-W443 HydrophobicContact CB-CZ3 4.5Å; E434-T444 CarbonylContact C-O 3.42Å; E434-T444 VanDerWaalsContact CA-O 3.25Å; E434-T444 WeakPolarHBondContact CA-O 3.46Å; E434-M445 HydrophobicContact CG-CE 4.35Å; E434-M445 HydrophobicContact CG-CG 4.41Å; E434-M445 HydrophobicContact CG-SD 3.3Å; E434-M445 WeakPolarHBondContact CG-SD 3.26Å
435Y98.7Very high97.7Very high47 Ų4754.1 Ų54.118%0.18428%0.279CS..EExtended strand (participates in β ladder)trans-116.6148.8163.574.6-107.5000112.1K417 I418 Y419 W443 T444 I446K417-Y435 HydrophobicContact CB-CD2 4.44Å; K417-Y435 HydrophobicContact CD-CD2 3.7Å; K417-Y435 HydrophobicContact CD-CE2 3.93Å; K417-Y435 HydrophobicContact CD-CG 4.1Å; K417-Y435 HydrophobicContact CG-CD2 4.23Å; I418-Y435 CarbonylContact O-C 3.36Å; I418-Y435 WeakPolarHBondContact O-CA 3.42Å; I418-Y435 WeakPolarHBondContact O-CB 3.49Å; Y419-Y435 HydrophobicContact CE1-CD1 4.04Å; Y419-Y435 HydrophobicContact CE1-CG 4.19Å; Y435-W443 CarbonylContact O-C 3.58Å; Y435-W443 VanDerWaalsContact O-CA 3.31Å; Y435-W443 WeakPolarHBondContact O-CA 3.48Å; Y435-T444 HydrophobicContact CE1-CG2 4.01Å; Y435-T444 PolarHBondContact N-O 3.06Å; Y435-T444 PolarHBondContact O-N 2.82Å; Y435-I446 HydrophobicContact CD1-CG2 3.46Å; Y435-I446 VanDerWaalsContact CD1-CG2 3.46Å; Y435-I446 HydrophobicContact CE1-CG2 3.9Å
436Y98.9Very high97.8Very high7 Ų753.6 Ų53.63%0.02728%0.277CS..EExtended strand (participates in β ladder)trans-101.2133.3170175-105.9000110.8Y372 I399 K417 I418 P438 N441 Q442 W443Y372-Y436 HydrophobicContact CE1-CD1 4.36Å; Y372-Y436 AromaticContact CE1-CE1 3.84Å; Y372-Y436 HydrophobicContact CE1-CE1 3.84Å; I399-Y436 HydrophobicContact CB-CE2 4.34Å; I399-Y436 HydrophobicContact CD1-CD1 4.3Å; I399-Y436 HydrophobicContact CD1-CD2 4.14Å; I399-Y436 HydrophobicContact CD1-CE1 3.96Å; I399-Y436 HydrophobicContact CD1-CE2 3.79Å; I399-Y436 HydrophobicContact CD1-CG 4.38Å; K417-Y436 WeakPolarHBondContact CA-O 3.21Å; I418-Y436 HydrophobicContact CD1-CD1 4.05Å; I418-Y436 HydrophobicContact CG1-CD1 4.49Å; I418-Y436 PolarHBondContact N-O 2.89Å; I418-Y436 VanDerWaalsContact N-O 3.16Å; I418-Y436 PolarHBondContact O-N 3.46Å; Y436-P438 HydrophobicContact CE1-CB 3.93Å; Y436-N441 WeakPolarHBondContact CE2-OD1 3.31Å; Y436-N441 PolarHBondContact OH-OD1 2.79Å; Y436-N441 VanDerWaalsContact OH-OD1 3.06Å; Y436-Q442 WeakPolarHBondContact CA-O 3.36Å; Y436-W443 AromaticContact CD2-CD1 3.99Å; Y436-W443 HydrophobicContact CD2-CD2 4.21Å; Y436-W443 AromaticContact CD2-CE2 3.84Å; Y436-W443 HydrophobicContact CD2-CG 4.31Å; Y436-W443 HydrophobicContact CD2-CZ2 4.33Å; Y436-W443 AromaticContact CD2-NE1 3.69Å; Y436-W443 HydrophobicContact CG-CD2 4.43Å; Y436-W443 HydrophobicContact CG-CZ2 4.19Å
437S98.2Very high98Very high13 Ų1354.5 Ų54.59%0.09128%0.28CS..EExtended strand (participates in β ladder)trans-105.1115.7170.2167.60000109.6E439 T440 N441 Q442S437-E439 PolarHBondContact O-N 3.21Å; S437-T440 VanDerWaalsContact CB-OG1 3.28Å; S437-T440 WeakPolarHBondContact CB-OG1 3.28Å; S437-T440 PolarHBondContact O-N 2.96Å; S437-T440 PolarHBondContact OG-OG1 2.87Å; S437-T440 VanDerWaalsContact OG-OG1 3.14Å; S437-N441 WeakPolarHBondContact O-CA 3.48Å; S437-N441 PolarHBondContact O-N 2.72Å; S437-Q442 PolarHBondContact N-O 2.79Å; S437-Q442 PolarHBondContact O-N 3.34Å
438P97.1Very high98.2Very high35 Ų3549.9 Ų49.923%0.22726%0.264CS..THydrogen-bonded Turntrans-66.6-25.7178.228.3-36.7000113.1L367 N416 Y436L367-P438 HydrophobicContact CD2-CG 3.82Å; N416-P438 WeakPolarHBondContact O-CD 3.31Å; Y436-P438 HydrophobicContact CE1-CB 3.93Å
439E96.7Very high98.3Very high173 Ų17345.2 Ų45.281%0.80824%0.239SC*.THydrogen-bonded Turntrans-67.3-36.9179.3-64177.2178.500112.3S437S437-E439 PolarHBondContact O-N 3.21Å
440T97.8Very high98.2Very high78 Ų7849 Ų4948%0.47926%0.259SS..THydrogen-bonded Turntrans-102.9-11.9-177.755.80000112.9S437 Q442S437-T440 VanDerWaalsContact CB-OG1 3.28Å; S437-T440 WeakPolarHBondContact CB-OG1 3.28Å; S437-T440 PolarHBondContact O-N 2.96Å; S437-T440 PolarHBondContact OG-OG1 2.87Å; S437-T440 VanDerWaalsContact OG-OG1 3.14Å; T440-Q442 VanDerWaalsContact C-N 3.3Å; T440-Q442 PolarHBondContact O-N 3.18Å
441N98.2Very high98.1Very high73 Ų7350.3 Ų50.339%0.3927%0.269SS..THydrogen-bonded Turntrans50.550.6-170-17529.1000111.4I399 A400 Y436 S437I399-N441 WeakPolarHBondContact CB-OD1 3.26Å; A400-N441 WeakPolarHBondContact CB-O 3.45Å; A400-N441 PolarHBondContact N-OD1 3.44Å; Y436-N441 WeakPolarHBondContact CE2-OD1 3.31Å; Y436-N441 PolarHBondContact OH-OD1 2.79Å; Y436-N441 VanDerWaalsContact OH-OD1 3.06Å; S437-N441 WeakPolarHBondContact O-CA 3.48Å; S437-N441 PolarHBondContact O-N 2.72Å
442Q98.4Very high98.1Very high119 Ų11949.5 Ų49.556%0.55627%0.265SS*.EExtended strand (participates in β ladder)trans-137.6146.2-177.8-72.4-177.5-4.400112.3Y436 S437 T440Y436-Q442 WeakPolarHBondContact CA-O 3.36Å; S437-Q442 PolarHBondContact N-O 2.79Å; S437-Q442 PolarHBondContact O-N 3.34Å; T440-Q442 VanDerWaalsContact C-N 3.3Å; T440-Q442 PolarHBondContact O-N 3.18Å
443W98.8Very high98.1Very high11 Ų1148.2 Ų48.24%0.04226%0.257CS..EExtended strand (participates in β ladder)trans-94.6138.5168.7-68.490.2000110.6I374 A386 A400 P401 M402 H403 I420 E434 Y435 Y436I374-W443 HydrophobicContact CD1-CH2 4.1Å; I374-W443 HydrophobicContact CG1-CH2 4.47Å; I374-W443 HydrophobicContact CG2-CH2 3.88Å; I374-W443 HydrophobicContact CG2-CZ2 4.01Å; A386-W443 HydrophobicContact CB-CZ2 4.25Å; A400-W443 VanDerWaalsContact O-CD1 3.28Å; A400-W443 PolarHBondContact O-NE1 2.85Å; P401-W443 VanDerWaalsContact C-CD1 3.44Å; M402-W443 HydrophobicContact CB-CD2 4.4Å; M402-W443 HydrophobicContact CB-CG 4.49Å; M402-W443 HydrophobicContact CG-CD2 3.63Å; M402-W443 VanDerWaalsContact CG-CE2 3.48Å; M402-W443 HydrophobicContact CG-CE3 3.95Å; M402-W443 HydrophobicContact CG-CG 4.18Å; M402-W443 HydrophobicContact CG-CH2 4.01Å; M402-W443 HydrophobicContact CG-CZ2 3.68Å; M402-W443 HydrophobicContact CG-CZ3 4.15Å; M402-W443 HydrophobicContact SD-CH2 4.23Å; M402-W443 HydrophobicContact SD-CZ2 4.35Å; M402-W443 HydrophobicContact SD-CZ3 4.44Å; H403-W443 PolarHBondContact NE2-O 3.44Å; I420-W443 HydrophobicContact CB-CZ3 4.22Å; I420-W443 HydrophobicContact CG2-CE3 4.2Å; I420-W443 HydrophobicContact CG2-CH2 4.02Å; I420-W443 HydrophobicContact CG2-CZ3 3.44Å; I420-W443 VanDerWaalsContact CG2-CZ3 3.44Å; E434-W443 HydrophobicContact CB-CE3 3.91Å; E434-W443 HydrophobicContact CB-CZ3 4.5Å; Y435-W443 CarbonylContact O-C 3.58Å; Y435-W443 VanDerWaalsContact O-CA 3.31Å; Y435-W443 WeakPolarHBondContact O-CA 3.48Å; Y436-W443 AromaticContact CD2-CD1 3.99Å; Y436-W443 HydrophobicContact CD2-CD2 4.21Å; Y436-W443 AromaticContact CD2-CE2 3.84Å; Y436-W443 HydrophobicContact CD2-CG 4.31Å; Y436-W443 HydrophobicContact CD2-CZ2 4.33Å; Y436-W443 AromaticContact CD2-NE1 3.69Å; Y436-W443 HydrophobicContact CG-CD2 4.43Å; Y436-W443 HydrophobicContact CG-CZ2 4.19Å
444T98.6Very high98.1Very high52 Ų5248.9 Ų48.932%0.31926%0.261SS..EExtended strand (participates in β ladder)trans-127.9127178.7-55.70000109.6E434 Y435E434-T444 CarbonylContact C-O 3.42Å; E434-T444 VanDerWaalsContact CA-O 3.25Å; E434-T444 WeakPolarHBondContact CA-O 3.46Å; Y435-T444 HydrophobicContact CE1-CG2 4.01Å; Y435-T444 PolarHBondContact N-O 3.06Å; Y435-T444 PolarHBondContact O-N 2.82Å
445M98.6Very high98Very high82 Ų8249 Ų4940%0.40426%0.263SS..EExtended strand (participates in β ladder)trans-63.5134.9172.7-63.5-67.8-59.400110.4H403 T432 E434H403-M445 HydrophobicContact CB-SD 4.08Å; T432-M445 HydrophobicContact CG2-CE 3.84Å; E434-M445 HydrophobicContact CG-CE 4.35Å; E434-M445 HydrophobicContact CG-CG 4.41Å; E434-M445 HydrophobicContact CG-SD 3.3Å; E434-M445 WeakPolarHBondContact CG-SD 3.26Å
446I98.6Very high98Very high15 Ų1547 Ų478%0.07726%0.256CS..  trans-107.9175.6169.257.4164.5000110.3Y419 A433 Y435 Y483 W490Y419-I446 HydrophobicContact CD1-CD1 4.19Å; A433-I446 VanDerWaalsContact C-CG1 3.49Å; A433-I446 HydrophobicContact CB-CD1 3.7Å; A433-I446 HydrophobicContact CB-CG1 3.64Å; A433-I446 VanDerWaalsContact O-CG1 3.27Å; A433-I446 WeakPolarHBondContact O-CG1 3.34Å; A433-I446 PolarHBondContact O-N 2.87Å; Y435-I446 HydrophobicContact CD1-CG2 3.46Å; Y435-I446 VanDerWaalsContact CD1-CG2 3.46Å; Y435-I446 HydrophobicContact CE1-CG2 3.9Å; I446-Y483 HydrophobicContact CB-CE2 4.2Å; I446-Y483 HydrophobicContact CD1-CD1 4.12Å; I446-Y483 HydrophobicContact CD1-CD2 4.04Å; I446-Y483 HydrophobicContact CD1-CE1 3.84Å; I446-Y483 HydrophobicContact CD1-CE2 3.74Å; I446-Y483 HydrophobicContact CD1-CG 4.21Å; I446-Y483 HydrophobicContact CG1-CE2 4.48Å; I446-Y483 WeakPolarHBondContact CG2-OH 3.3Å; I446-W490 HydrophobicContact CD1-CZ2 4.21Å
447S98.4Very high98Very high37 Ų3746.7 Ų46.726%0.25926%0.255SS..PPolyproline II helixtrans-51.7135.4173.5-67.40000110.6N488 W490S447-N488 WeakPolarHBondContact CB-O 3.38Å; S447-N488 PolarHBondContact N-OD1 2.87Å; S447-N488 PolarHBondContact OG-ND2 3.27Å; S447-N488 VanDerWaalsContact OG-ND2 3.16Å; S447-N488 PolarHBondContact OG-O 2.84Å; S447-N488 PolarHBondContact OG-OD1 3.13Å; S447-W490 PolarHBondContact O-NE1 3.35Å
448P98.5Very high98Very high63 Ų6346.3 Ų46.341%0.40925%0.251SS..PPolyproline II helixtrans-68.2151.7178.729.2-34.5000110.8Q431Q431-P448 HydrophobicContact CG-CB 3.96Å; Q431-P448 WeakPolarHBondContact O-CA 3.4Å
449M98.4Very high98.1Very high4 Ų445 Ų452%0.0224%0.243CC..PPolyproline II helixtrans-60.9158170-71.2-179.2-59.200111.1C421 Q431 S451 R453 I456 A467 E481 W490C421-M449 HydrophobicContact CB-CE 4.23Å; C421-M449 HydrophobicContact CB-SD 3.94Å; Q431-M449 PolarHBondContact O-N 2.99Å; M449-S451 VanDerWaalsContact C-N 3.26Å; M449-S451 WeakPolarHBondContact CB-O 3.46Å; M449-S451 PolarHBondContact O-N 3.07Å; M449-R453 HydrophobicContact CE-CB 4.33Å; M449-R453 HydrophobicContact CE-CG 4.46Å; M449-I456 HydrophobicContact CE-CD1 4.3Å; M449-I456 HydrophobicContact SD-CD1 3.93Å; M449-A467 HydrophobicContact SD-CB 3.63Å; M449-E481 WeakPolarHBondContact CA-OE1 3.46Å; M449-E481 WeakPolarHBondContact CB-OE1 3.35Å; M449-E481 WeakPolarHBondContact CG-OE1 3.42Å; M449-W490 HydrophobicContact CG-CD2 3.96Å; M449-W490 HydrophobicContact CG-CE3 4.21Å; M449-W490 HydrophobicContact CG-CH2 3.82Å; M449-W490 HydrophobicContact CG-CZ2 3.52Å; M449-W490 HydrophobicContact CG-CZ3 4.16Å; M449-W490 HydrophobicContact SD-CH2 4.19Å; M449-W490 HydrophobicContact SD-CZ2 4.38Å
450N97.3Very high98.2Very high92 Ų9237.9 Ų37.949%0.49221%0.214SC..SBendtrans-71.1-24.6176.8-68.9-50000112.7E481N450-E481 PolarHBondContact N-OE1 2.81Å
451S95.7Very high98.1Very high40 Ų4034.7 Ų34.728%0.2819%0.193SC..SBendtrans-130.5143.1178-61.40000110M449M449-S451 VanDerWaalsContact C-N 3.26Å; M449-S451 WeakPolarHBondContact CB-O 3.46Å; M449-S451 PolarHBondContact O-N 3.07Å
452Q97.8Very high97.9Very high72 Ų7234.1 Ų34.134%0.33620%0.198SC..  trans-72.1141168.465.1-170.651.900110.8C429 L430 Q431 D472C429-Q452 HydrophobicContact CB-CB 4.13Å; C429-Q452 HydrophobicContact CB-CG 3.98Å; C429-Q452 WeakPolarHBondContact O-CB 3.3Å; L430-Q452 WeakPolarHBondContact O-CA 3.42Å; Q431-Q452 HydrophobicContact CB-CB 4.2Å; Q452-D472 HydrophobicContact CG-CB 4.02Å; Q452-D472 WeakPolarHBondContact CG-O 3.39Å; Q452-D472 PolarHBondContact NE2-O 2.81Å; Q452-D472 VanDerWaalsContact O-CA 3.28Å; Q452-D472 WeakPolarHBondContact O-CA 3.46Å; Q452-D472 VanDerWaalsContact O-CB 3.31Å; Q452-D472 WeakPolarHBondContact O-CB 3.3Å
453R98.1Very high97.8Very high0 Ų030.6 Ų30.60%019%0.194CC..  trans-147.5121.9-169.8-60.3175.3-175.5-90.52.6110.8G422 G423 L430 M449 I456 G469 F471 L477 S479 E481G422-R453 CarbonylContact C-O 3.53Å; G422-R453 WeakPolarHBondContact CA-O 3.48Å; G423-R453 PolarHBondContact N-O 2.98Å; L430-R453 PolarHBondContact O-N 3.47Å; M449-R453 HydrophobicContact CE-CB 4.33Å; M449-R453 HydrophobicContact CE-CG 4.46Å; R453-I456 HydrophobicContact CB-CB 4.03Å; R453-I456 HydrophobicContact CB-CD1 3.7Å; R453-I456 HydrophobicContact CB-CG1 4Å; R453-I456 HydrophobicContact CG-CD1 4.16Å; R453-G469 PolarHBondContact NH1-O 3.24Å; R453-F471 CarbonylContact C-O 3.5Å; R453-L477 HydrophobicContact CG-CD1 3.84Å; R453-S479 PolarHBondContact NH1-O 3.46Å; R453-S479 PolarHBondContact NH1-OG 3.32Å; R453-S479 PolarHBondContact NH2-OG 3.06Å; R453-E481 IonicContact CZ-OE2 2.7Å; R453-E481 IonicContact NE-OE2 2.74Å; R453-E481 PolarHBondContact NE-OE2 3.31Å; R453-E481 IonicContact NH2-OE2 3.68Å; R453-E481 PolarHBondContact NH2-OE2 2.87Å
454S98.1Very high97.8Very high13 Ų1332.7 Ų32.79%0.09120%0.204CC..BIsolated β-bridgetrans-115.1152.4164.361.50000110.7C429 I456 G470 F471C429-S454 PolarHBondContact SG-OG 3.06Å; C429-S454 VanDerWaalsContact SG-OG 3.33Å; S454-I456 PolarHBondContact O-N 3.23Å; S454-G470 CarbonylContact O-C 3.58Å; S454-G470 WeakPolarHBondContact O-CA 3.44Å; S454-F471 PolarHBondContact N-O 3.39Å; S454-F471 PolarHBondContact O-N 3.37Å; S454-F471 PolarHBondContact OG-O 3.44Å; S454-F471 VanDerWaalsContact OG-O 3.12Å
455G97.8Very high97.8Very high4 Ų430.2 Ų30.24%0.04119%0.189CC..SBendtrans63.236-173.800000111.3D408 S501 N502D408-G455 WeakPolarHBondContact O-CA 3.42Å; D408-G455 PolarHBondContact O-N 2.65Å; G455-S501 CarbonylContact O-C 3.54Å; G455-S501 WeakPolarHBondContact O-CA 3.3Å; G455-N502 WeakPolarHBondContact CA-OD1 3.4Å; G455-N502 PolarHBondContact O-N 3.04Å
456I98.4Very high97.8Very high5 Ų527 Ų273%0.02617%0.173CC..  trans-82.4149.2-171.4-170.4-175.9000111.5N410 M449 R453 S454 V458 A467 V468N410-I456 HydrophobicContact CB-CG2 4.06Å; N410-I456 WeakPolarHBondContact CB-O 3.46Å; N410-I456 PolarHBondContact ND2-O 3.47Å; M449-I456 HydrophobicContact CE-CD1 4.3Å; M449-I456 HydrophobicContact SD-CD1 3.93Å; R453-I456 HydrophobicContact CB-CB 4.03Å; R453-I456 HydrophobicContact CB-CD1 3.7Å; R453-I456 HydrophobicContact CB-CG1 4Å; R453-I456 HydrophobicContact CG-CD1 4.16Å; S454-I456 PolarHBondContact O-N 3.23Å; I456-V458 HydrophobicContact CD1-CG2 3.86Å; I456-V458 HydrophobicContact CG1-CG2 4.18Å; I456-V458 HydrophobicContact CG2-CG2 4.13Å; I456-A467 HydrophobicContact CD1-CB 3.78Å; I456-V468 WeakPolarHBondContact CG1-O 3.35Å
457G98.4Very high97.8Very high0 Ų026.3 Ų26.30%017%0.169CC..EExtended strand (participates in β ladder)trans-93.7125.7163.600000111.1V468G457-V468 PolarHBondContact N-O 2.84Å; G457-V468 PolarHBondContact O-N 3.32Å
458V98.6Very high97.8Very high4 Ų424.6 Ų24.62%0.02416%0.157CC..EExtended strand (participates in β ladder)trans-125.5128.7175.9177.70000110.3N410 T412 C421 I456 V465 Y466N410-V458 HydrophobicContact CB-CB 3.8Å; N410-V458 HydrophobicContact CB-CG2 3.83Å; N410-V458 PolarHBondContact ND2-N 3.17Å; N410-V458 WeakPolarHBondContact O-CG2 3.32Å; T412-V458 HydrophobicContact CG2-CG1 3.88Å; C421-V458 HydrophobicContact CB-CG2 3.79Å; I456-V458 HydrophobicContact CD1-CG2 3.86Å; I456-V458 HydrophobicContact CG1-CG2 4.18Å; I456-V458 HydrophobicContact CG2-CG2 4.13Å; V458-V465 HydrophobicContact CG1-CG1 3.67Å; V458-Y466 VanDerWaalsContact CA-O 3.22Å; V458-Y466 WeakPolarHBondContact CA-O 3.25Å
459V98.5Very high97.8Very high7 Ų721.6 Ų21.64%0.04214%0.137CC..EExtended strand (participates in β ladder)trans-151.2144.3-179.872.30000112.4Y466 I505 V507 L512V459-Y466 PolarHBondContact N-O 3.2Å; V459-Y466 VanDerWaalsContact N-O 3.07Å; V459-Y466 PolarHBondContact O-N 2.81Å; V459-I505 HydrophobicContact CB-CD1 4.1Å; V459-I505 HydrophobicContact CB-CG1 4.15Å; V459-I505 HydrophobicContact CG1-CD1 3.64Å; V459-I505 HydrophobicContact CG1-CG1 3.91Å; V459-V507 HydrophobicContact CG1-CG2 4.25Å; V459-V507 HydrophobicContact CG2-CG2 3.74Å; V459-L512 HydrophobicContact CG1-CD1 3.44Å; V459-L512 VanDerWaalsContact CG1-CD1 3.44Å; V459-L512 HydrophobicContact CG1-CG 3.79Å
460A98.3Very high97.8Very high25 Ų2521.4 Ų21.421%0.20714%0.136CC..EExtended strand (participates in β ladder)trans-80.5123.8172.100000109.3T412 T413 L414 H464T412-A460 HydrophobicContact CG2-CB 3.94Å; T412-A460 WeakPolarHBondContact OG1-CB 3.35Å; T412-A460 PolarHBondContact OG1-N 2.98Å; T413-A460 VanDerWaalsContact O-CB 3.23Å; T413-A460 WeakPolarHBondContact O-CB 3.5Å; L414-A460 HydrophobicContact CB-CB 4.08Å; L414-A460 HydrophobicContact CD1-CB 4.33Å; A460-H464 WeakPolarHBondContact CA-O 3.05Å
461Y97.5Very high97.8Very high11 Ų1119.5 Ų19.54%0.04312%0.124CC..EExtended strand (participates in β ladder)trans-152.7139.5-177.5180-133.6000109.8G463 H464 Y466 V507 D510 L512 Y530 A532Y461-G463 PolarHBondContact O-N 3.45Å; Y461-H464 PolarHBondContact N-O 2.86Å; Y461-H464 PolarHBondContact O-N 3Å; Y461-H464 VanDerWaalsContact O-O 3.12Å; Y461-Y466 HydrophobicContact CD1-CD2 4.29Å; Y461-Y466 AromaticContact CD1-CE2 3.89Å; Y461-Y466 HydrophobicContact CD1-CE2 3.89Å; Y461-Y466 HydrophobicContact CG-CE2 4.32Å; Y461-Y466 VanDerWaalsContact O-CE2 3.25Å; Y461-Y466 WeakPolarHBondContact O-CE2 3.49Å; Y461-V507 HydrophobicContact CD2-CG1 3.86Å; Y461-V507 HydrophobicContact CD2-CG2 3.87Å; Y461-V507 HydrophobicContact CE2-CG1 4.21Å; Y461-V507 HydrophobicContact CG-CG2 4.02Å; Y461-D510 PolarHBondContact OH-O 2.85Å; Y461-L512 HydrophobicContact CD1-CB 3.94Å; Y461-L512 HydrophobicContact CD1-CD1 4.21Å; Y461-L512 HydrophobicContact CE1-CB 4.04Å; Y461-L512 HydrophobicContact CG-CB 4.41Å; Y461-Y530 HydrophobicContact CD1-CD1 4.35Å; Y461-Y530 AromaticContact CE1-CD1 3.88Å; Y461-Y530 HydrophobicContact CE1-CD1 3.88Å; Y461-Y530 HydrophobicContact CE1-CE1 4.17Å; Y461-A532 HydrophobicContact CD1-CB 4.31Å; Y461-A532 HydrophobicContact CE1-CB 3.5Å; Y461-A532 VanDerWaalsContact CE1-CB 3.5Å
462A94Very high97.9Very high60 Ų6019.6 Ų19.650%0.49612%0.121SC..THydrogen-bonded Turntrans45.541.9179.600000114.5H464 A532A462-H464 VanDerWaalsContact C-N 3.29Å; A462-H464 PolarHBondContact O-N 3.4Å; A462-H464 PolarHBondContact O-ND1 2.75Å; A462-A532 HydrophobicContact CB-CB 4.31Å
463G95.4Very high97.7Very high45 Ų4518.3 Ų18.346%0.46413%0.127SC..THydrogen-bonded Turntrans74.57.7179.100000116.1Y461Y461-G463 PolarHBondContact O-N 3.45Å
464H98.1Very high97.5Very high56 Ų5624.6 Ų24.626%0.25916%0.16SC..EExtended strand (participates in β ladder)trans-125.7162.6-177.9-6576.3000111.1A460 Y461 A462 Y466 A482 Y483 N484A460-H464 WeakPolarHBondContact CA-O 3.05Å; Y461-H464 PolarHBondContact N-O 2.86Å; Y461-H464 PolarHBondContact O-N 3Å; Y461-H464 VanDerWaalsContact O-O 3.12Å; A462-H464 VanDerWaalsContact C-N 3.29Å; A462-H464 PolarHBondContact O-N 3.4Å; A462-H464 PolarHBondContact O-ND1 2.75Å; H464-Y466 HydrophobicContact CB-CD2 4.27Å; H464-Y466 HydrophobicContact CB-CE2 3.86Å; H464-A482 HydrophobicContact CB-CB 4.31Å; H464-Y483 WeakPolarHBondContact CA-O 3.46Å; H464-Y483 WeakPolarHBondContact CB-O 3.49Å; H464-Y483 PolarHBondContact CD2-O 3.25Å; H464-N484 PolarHBondContact NE2-ND2 3.32Å
465V98.7Very high97.4Very high0 Ų026.7 Ų26.70%018%0.175CC..EExtended strand (participates in β ladder)trans-99.1114.5170.2176.30000108.7T412 L414 Y419 V458 A482 Y483T412-V465 HydrophobicContact CG2-CB 4.46Å; T412-V465 HydrophobicContact CG2-CG1 3.83Å; T412-V465 HydrophobicContact CG2-CG2 4.05Å; L414-V465 HydrophobicContact CB-CG2 4.3Å; L414-V465 HydrophobicContact CD2-CG2 3.75Å; Y419-V465 HydrophobicContact CD1-CG2 4.26Å; Y419-V465 HydrophobicContact CD2-CG2 3.81Å; Y419-V465 HydrophobicContact CE2-CG2 4.33Å; Y419-V465 HydrophobicContact CG-CG2 3.78Å; V458-V465 HydrophobicContact CG1-CG1 3.67Å; V465-A482 CarbonylContact O-C 3.53Å; V465-A482 WeakPolarHBondContact O-CA 3.31Å; V465-Y483 HydrophobicContact CB-CD1 4.41Å; V465-Y483 PolarHBondContact N-O 2.65Å; V465-Y483 PolarHBondContact O-N 3.15Å
466Y98.7Very high97.4Very high15 Ų1530.4 Ų30.46%0.05919%0.188CC..EExtended strand (participates in β ladder)trans-90.8131.9178.6-76.5-106.6000110.2V458 V459 Y461 H464 E481 A482 V493 L512 Y530V458-Y466 VanDerWaalsContact CA-O 3.22Å; V458-Y466 WeakPolarHBondContact CA-O 3.25Å; V459-Y466 PolarHBondContact N-O 3.2Å; V459-Y466 VanDerWaalsContact N-O 3.07Å; V459-Y466 PolarHBondContact O-N 2.81Å; Y461-Y466 HydrophobicContact CD1-CD2 4.29Å; Y461-Y466 AromaticContact CD1-CE2 3.89Å; Y461-Y466 HydrophobicContact CD1-CE2 3.89Å; Y461-Y466 HydrophobicContact CG-CE2 4.32Å; Y461-Y466 VanDerWaalsContact O-CE2 3.25Å; Y461-Y466 WeakPolarHBondContact O-CE2 3.49Å; H464-Y466 HydrophobicContact CB-CD2 4.27Å; H464-Y466 HydrophobicContact CB-CE2 3.86Å; Y466-E481 WeakPolarHBondContact CA-O 3.29Å; Y466-A482 HydrophobicContact CD1-CB 4.07Å; Y466-A482 HydrophobicContact CD2-CB 4.38Å; Y466-A482 HydrophobicContact CE1-CB 3.89Å; Y466-A482 HydrophobicContact CE2-CB 4.2Å; Y466-A482 HydrophobicContact CG-CB 4.33Å; Y466-V493 HydrophobicContact CD1-CG2 4.28Å; Y466-V493 HydrophobicContact CE1-CG1 4.16Å; Y466-V493 HydrophobicContact CE1-CG2 4.16Å; Y466-L512 HydrophobicContact CD1-CD1 4.29Å; Y466-L512 HydrophobicContact CG-CD1 4.13Å; Y466-Y530 HydrophobicContact CD1-CE1 4.44Å; Y466-Y530 HydrophobicContact CE1-CD1 4.32Å; Y466-Y530 AromaticContact CE1-CE1 3.61Å; Y466-Y530 HydrophobicContact CE1-CE1 3.61Å
467A98.6Very high97.4Very high0 Ų031.2 Ų31.20%019%0.192CC..EExtended strand (participates in β ladder)trans-115.8112.8174.100000108.4M449 I456 A480 E481 W490M449-A467 HydrophobicContact SD-CB 3.63Å; I456-A467 HydrophobicContact CD1-CB 3.78Å; A467-A480 VanDerWaalsContact O-CA 3.31Å; A467-A480 WeakPolarHBondContact O-CA 3.39Å; A467-E481 HydrophobicContact CB-CG 3.9Å; A467-E481 PolarHBondContact N-O 2.86Å; A467-E481 PolarHBondContact O-N 2.74Å; A467-W490 HydrophobicContact CB-CE3 4.43Å; A467-W490 HydrophobicContact CB-CH2 3.87Å; A467-W490 HydrophobicContact CB-CZ3 3.49Å; A467-W490 VanDerWaalsContact CB-CZ3 3.49Å
468V98.6Very high97.3Very high0 Ų037.7 Ų37.70%022%0.217CC..EExtended strand (participates in β ladder)trans-124135.9-165.8-175.90000110.6I456 G457 A480 M496 F503 I505 L512 V514 W537I456-V468 WeakPolarHBondContact CG1-O 3.35Å; G457-V468 PolarHBondContact N-O 2.84Å; G457-V468 PolarHBondContact O-N 3.32Å; V468-A480 HydrophobicContact CB-CB 4.35Å; V468-A480 HydrophobicContact CG1-CB 4.2Å; V468-A480 HydrophobicContact CG2-CB 3.97Å; V468-M496 HydrophobicContact CG1-CE 3.68Å; V468-M496 HydrophobicContact CG1-CG 3.95Å; V468-M496 HydrophobicContact CG1-SD 3.4Å; V468-M496 WeakPolarHBondContact CG1-SD 3.45Å; V468-F503 HydrophobicContact CB-CZ 4.25Å; V468-F503 HydrophobicContact CG1-CZ 4.14Å; V468-F503 VanDerWaalsContact O-CZ 3.26Å; V468-F503 WeakPolarHBondContact O-CZ 3.14Å; V468-I505 HydrophobicContact CB-CD1 4.17Å; V468-I505 HydrophobicContact CG2-CD1 4Å; V468-L512 HydrophobicContact CG2-CD1 4.49Å; V468-V514 HydrophobicContact CG1-CG1 4.23Å; V468-W537 HydrophobicContact CG1-CH2 3.91Å; V468-W537 HydrophobicContact CG1-CZ2 3.98Å
469G98.3Very high97.3Very high0 Ų038.8 Ų38.80%023%0.225CC..  trans59.6-144.9171.500000113.9R453 L477 S479R453-G469 PolarHBondContact NH1-O 3.24Å; G469-L477 WeakPolarHBondContact CA-O 3.49Å; G469-S479 PolarHBondContact N-O 3.41Å
470G98.2Very high97.3Very high0 Ų038.6 Ų38.60%022%0.223CC..  trans97.8-164.7-179.100000113.2S454 R476 L477 R500S454-G470 CarbonylContact O-C 3.58Å; S454-G470 WeakPolarHBondContact O-CA 3.44Å; G470-R476 CarbonylContact O-C 3.59Å; G470-R476 WeakPolarHBondContact O-CA 3.43Å; G470-L477 PolarHBondContact O-N 2.94Å; G470-R500 PolarHBondContact N-O 3.26Å
471F98.1Very high97.3Very high53 Ų5337.4 Ų37.423%0.23221%0.213CC..BIsolated β-bridgetrans-127.3125.9179.4176.4-115.2000109.3R453 S454 G473 N474 S475 R476R453-F471 CarbonylContact C-O 3.5Å; S454-F471 PolarHBondContact N-O 3.39Å; S454-F471 PolarHBondContact O-N 3.37Å; S454-F471 PolarHBondContact OG-O 3.44Å; S454-F471 VanDerWaalsContact OG-O 3.12Å; F471-G473 VanDerWaalsContact C-N 3.3Å; F471-G473 VanDerWaalsContact CZ-O 3.3Å; F471-G473 WeakPolarHBondContact CZ-O 3.38Å; F471-G473 PolarHBondContact O-N 2.91Å; F471-N474 VanDerWaalsContact CE2-C 3.42Å; F471-S475 VanDerWaalsContact CD2-O 3.29Å; F471-S475 WeakPolarHBondContact CD2-O 3.42Å; F471-R476 HydrophobicContact CD2-CG 4.36Å
472D96.8Very high97.3Very high42 Ų4237.1 Ų37.123%0.22521%0.214CC..  trans-89.912.5-176.269.33.7000113.6Q452 N474 S475 L477Q452-D472 HydrophobicContact CG-CB 4.02Å; Q452-D472 WeakPolarHBondContact CG-O 3.39Å; Q452-D472 PolarHBondContact NE2-O 2.81Å; Q452-D472 VanDerWaalsContact O-CA 3.28Å; Q452-D472 WeakPolarHBondContact O-CA 3.46Å; Q452-D472 VanDerWaalsContact O-CB 3.31Å; Q452-D472 WeakPolarHBondContact O-CB 3.3Å; D472-N474 VanDerWaalsContact C-N 3.3Å; D472-N474 WeakPolarHBondContact OD1-CA 3.36Å; D472-N474 PolarHBondContact OD1-N 2.96Å; D472-S475 PolarHBondContact N-O 3.47Å; D472-S475 VanDerWaalsContact N-O 3.12Å; D472-S475 PolarHBondContact OD1-N 2.88Å; D472-S475 VanDerWaalsContact OD1-O 3.09Å; D472-L477 HydrophobicContact CB-CD1 4.1Å; D472-L477 HydrophobicContact CB-CD2 4.17Å; D472-L477 HydrophobicContact CB-CG 4.24Å
473G94.8Very high97.6Very high44 Ų4434.6 Ų34.645%0.45419%0.191SC..SBendtrans90.8-16.2-172.700000113.9C429 F471C429-G473 PolarHBondContact SG-N 2.91Å; F471-G473 VanDerWaalsContact C-N 3.3Å; F471-G473 VanDerWaalsContact CZ-O 3.3Å; F471-G473 WeakPolarHBondContact CZ-O 3.38Å; F471-G473 PolarHBondContact O-N 2.91Å
474N94.6Very high97.7Very high132 Ų13233.9 Ų33.971%0.70618%0.177SC*.SBendtrans-125-47.8178-178.555.3000112.6F471 D472F471-N474 VanDerWaalsContact CE2-C 3.42Å; D472-N474 VanDerWaalsContact C-N 3.3Å; D472-N474 WeakPolarHBondContact OD1-CA 3.36Å; D472-N474 PolarHBondContact OD1-N 2.96Å
475S95.7Very high97.7Very high57 Ų5732.7 Ų32.740%0.39917%0.174SC..SBendtrans-134.1152.7-174-690000112.1F471 D472F471-S475 VanDerWaalsContact CD2-O 3.29Å; F471-S475 WeakPolarHBondContact CD2-O 3.42Å; D472-S475 PolarHBondContact N-O 3.47Å; D472-S475 VanDerWaalsContact N-O 3.12Å; D472-S475 PolarHBondContact OD1-N 2.88Å; D472-S475 VanDerWaalsContact OD1-O 3.09Å
476R97.1Very high97.6Very high83 Ų8341.1 Ų41.131%0.31321%0.214SC..BIsolated β-bridgetrans-78.5135.5171.4-76.973.2177.8-179.12.3108G470 F471 T499G470-R476 CarbonylContact O-C 3.59Å; G470-R476 WeakPolarHBondContact O-CA 3.43Å; F471-R476 HydrophobicContact CD2-CG 4.36Å; R476-T499 VanDerWaalsContact O-CG2 3.3Å; R476-T499 WeakPolarHBondContact O-CG2 3.36Å
477L97.9Very high97.6Very high22 Ų2244.7 Ų44.712%0.11524%0.237CC..  trans-94.8147.4-174.7-58.8178.4000110.9R453 G469 G470 D472 R500R453-L477 HydrophobicContact CG-CD1 3.84Å; G469-L477 WeakPolarHBondContact CA-O 3.49Å; G470-L477 PolarHBondContact O-N 2.94Å; D472-L477 HydrophobicContact CB-CD1 4.1Å; D472-L477 HydrophobicContact CB-CD2 4.17Å; D472-L477 HydrophobicContact CB-CG 4.24Å; L477-R500 PolarHBondContact O-N 3.23Å
478R97.3Very high97.5Very high136 Ų13648 Ų4851%0.51326%0.255SS..  trans-109.7-10161.763.5175.7-168.3174.90.5112.4S495 M496 T499R478-S495 CarbonylContact O-C 3.39Å; R478-S495 WeakPolarHBondContact O-CA 3.31Å; R478-M496 HydrophobicContact CB-CB 4.15Å; R478-M496 WeakPolarHBondContact CD-O 3.22Å; R478-M496 PolarHBondContact O-N 2.75Å; R478-T499 HydrophobicContact CB-CG2 3.87Å; R478-T499 HydrophobicContact CG-CG2 4.16Å
479S98.3Very high97.5Very high27 Ų2749.9 Ų49.919%0.18927%0.27CS..  trans-65.7149.2-178.958.30000110.6R453 G469R453-S479 PolarHBondContact NH1-O 3.46Å; R453-S479 PolarHBondContact NH1-OG 3.32Å; R453-S479 PolarHBondContact NH2-OG 3.06Å; G469-S479 PolarHBondContact N-O 3.41Å
480A98.3Very high97.5Very high2 Ų251 Ų512%0.01727%0.274CS..EExtended strand (participates in β ladder)trans-133.3148.7174.400000109.3A467 V468 V493 W537A467-A480 VanDerWaalsContact O-CA 3.31Å; A467-A480 WeakPolarHBondContact O-CA 3.39Å; V468-A480 HydrophobicContact CB-CB 4.35Å; V468-A480 HydrophobicContact CG1-CB 4.2Å; V468-A480 HydrophobicContact CG2-CB 3.97Å; A480-V493 HydrophobicContact CB-CG2 3.52Å; A480-V493 WeakPolarHBondContact O-CG2 3.46Å; A480-V493 PolarHBondContact O-N 2.78Å; A480-W537 HydrophobicContact CB-CZ2 4.48Å
481E98.3Very high97.5Very high0 Ų055.2 Ų55.20%030%0.3CS..EExtended strand (participates in β ladder)trans-139.9145.9178.254.2-169.3-86.800109.9M449 N450 R453 Y466 A467 W490 T491M449-E481 WeakPolarHBondContact CA-OE1 3.46Å; M449-E481 WeakPolarHBondContact CB-OE1 3.35Å; M449-E481 WeakPolarHBondContact CG-OE1 3.42Å; N450-E481 PolarHBondContact N-OE1 2.81Å; R453-E481 IonicContact CZ-OE2 2.7Å; R453-E481 IonicContact NE-OE2 2.74Å; R453-E481 PolarHBondContact NE-OE2 3.31Å; R453-E481 IonicContact NH2-OE2 3.68Å; R453-E481 PolarHBondContact NH2-OE2 2.87Å; Y466-E481 WeakPolarHBondContact CA-O 3.29Å; A467-E481 HydrophobicContact CB-CG 3.9Å; A467-E481 PolarHBondContact N-O 2.86Å; A467-E481 PolarHBondContact O-N 2.74Å; E481-W490 HydrophobicContact CB-CE3 4.1Å; E481-W490 HydrophobicContact CG-CE3 3.68Å; E481-W490 HydrophobicContact CG-CZ3 4.1Å; E481-T491 CarbonylContact C-O 3.59Å; E481-T491 VanDerWaalsContact CA-O 3.27Å; E481-T491 WeakPolarHBondContact CA-O 3.45Å
482A98.4Very high97.5Very high6 Ų657.8 Ų57.85%0.0532%0.317CS..EExtended strand (participates in β ladder)trans-116.9125.4-178.500000109.9H464 V465 Y466 W490 T491 V493H464-A482 HydrophobicContact CB-CB 4.31Å; V465-A482 CarbonylContact O-C 3.53Å; V465-A482 WeakPolarHBondContact O-CA 3.31Å; Y466-A482 HydrophobicContact CD1-CB 4.07Å; Y466-A482 HydrophobicContact CD2-CB 4.38Å; Y466-A482 HydrophobicContact CE1-CB 3.89Å; Y466-A482 HydrophobicContact CE2-CB 4.2Å; Y466-A482 HydrophobicContact CG-CB 4.33Å; A482-W490 WeakPolarHBondContact O-CA 3.41Å; A482-T491 PolarHBondContact N-O 3.12Å; A482-T491 PolarHBondContact O-N 3.48Å; A482-V493 HydrophobicContact CB-CG1 3.9Å
483Y98.8Very high97.6Very high6 Ų657 Ų572%0.02431%0.313CS..EExtended strand (participates in β ladder)trans-89.4129.5174.9175.5-104.9000110.7Y419 I446 H464 V465 P485 N488 A489 W490Y419-Y483 HydrophobicContact CD1-CD1 4.48Å; Y419-Y483 HydrophobicContact CD1-CE1 4.23Å; Y419-Y483 HydrophobicContact CE1-CD1 4.29Å; Y419-Y483 AromaticContact CE1-CE1 3.72Å; Y419-Y483 HydrophobicContact CE1-CE1 3.72Å; I446-Y483 HydrophobicContact CB-CE2 4.2Å; I446-Y483 HydrophobicContact CD1-CD1 4.12Å; I446-Y483 HydrophobicContact CD1-CD2 4.04Å; I446-Y483 HydrophobicContact CD1-CE1 3.84Å; I446-Y483 HydrophobicContact CD1-CE2 3.74Å; I446-Y483 HydrophobicContact CD1-CG 4.21Å; I446-Y483 HydrophobicContact CG1-CE2 4.48Å; I446-Y483 WeakPolarHBondContact CG2-OH 3.3Å; H464-Y483 WeakPolarHBondContact CA-O 3.46Å; H464-Y483 WeakPolarHBondContact CB-O 3.49Å; H464-Y483 PolarHBondContact CD2-O 3.25Å; V465-Y483 HydrophobicContact CB-CD1 4.41Å; V465-Y483 PolarHBondContact N-O 2.65Å; V465-Y483 PolarHBondContact O-N 3.15Å; Y483-P485 HydrophobicContact CD1-CG 4.11Å; Y483-P485 HydrophobicContact CE1-CB 4.05Å; Y483-P485 HydrophobicContact CE1-CG 3.97Å; Y483-N488 WeakPolarHBondContact CE2-OD1 3.3Å; Y483-N488 PolarHBondContact OH-OD1 2.7Å; Y483-A489 WeakPolarHBondContact CA-O 3.36Å; Y483-W490 HydrophobicContact CD2-CD2 4.11Å; Y483-W490 AromaticContact CD2-CE2 3.74Å; Y483-W490 HydrophobicContact CD2-CG 4.28Å; Y483-W490 HydrophobicContact CD2-CZ2 4.18Å; Y483-W490 AromaticContact CD2-NE1 3.67Å; Y483-W490 HydrophobicContact CG-CD2 4.37Å; Y483-W490 HydrophobicContact CG-CH2 4.43Å; Y483-W490 HydrophobicContact CG-CZ2 4.12Å
484N98.3Very high97.7Very high31 Ų3156.1 Ų56.117%0.16630%0.302CS..EExtended strand (participates in β ladder)trans-99.4114.6171.2-177.3-38.2000109.6H464 E486 T487 N488 A489H464-N484 PolarHBondContact NE2-ND2 3.32Å; N484-E486 VanDerWaalsContact C-N 3.26Å; N484-E486 PolarHBondContact O-N 3.4Å; N484-E486 WeakPolarHBondContact OD1-CA 3.4Å; N484-E486 VanDerWaalsContact OD1-CB 3.26Å; N484-E486 WeakPolarHBondContact OD1-CB 3.3Å; N484-E486 PolarHBondContact OD1-N 3.31Å; N484-T487 WeakPolarHBondContact CB-OG1 3.22Å; N484-T487 PolarHBondContact O-N 3.37Å; N484-T487 PolarHBondContact OD1-N 3.24Å; N484-N488 WeakPolarHBondContact O-CA 3.23Å; N484-N488 PolarHBondContact O-N 3.29Å; N484-A489 PolarHBondContact N-O 3.46Å
485P97.6Very high97.9Very high31 Ų3152.5 Ų52.520%0.20129%0.287CS..THydrogen-bonded Turntrans-64.6-23.3179.1-22.533.4000115.3L414 Y483L414-P485 HydrophobicContact CD2-CG 3.7Å; Y483-P485 HydrophobicContact CD1-CG 4.11Å; Y483-P485 HydrophobicContact CE1-CB 4.05Å; Y483-P485 HydrophobicContact CE1-CG 3.97Å
486E97.5Very high98Very high176 Ų17649.9 Ų49.982%0.82227%0.268SS*.THydrogen-bonded Turntrans-77.3-37.7-179.7-55-178.3159.500111.5N484N484-E486 VanDerWaalsContact C-N 3.26Å; N484-E486 PolarHBondContact O-N 3.4Å; N484-E486 WeakPolarHBondContact OD1-CA 3.4Å; N484-E486 VanDerWaalsContact OD1-CB 3.26Å; N484-E486 WeakPolarHBondContact OD1-CB 3.3Å; N484-E486 PolarHBondContact OD1-N 3.31Å
487T97.9Very high98Very high91 Ų9149.9 Ų49.956%0.55827%0.274SS*.THydrogen-bonded Turntrans-97.2-10.2-179.8650000113.2N484 A489N484-T487 WeakPolarHBondContact CB-OG1 3.22Å; N484-T487 PolarHBondContact O-N 3.37Å; N484-T487 PolarHBondContact OD1-N 3.24Å; T487-A489 VanDerWaalsContact C-N 3.27Å; T487-A489 PolarHBondContact O-N 3.42Å
488N97.9Very high97.8Very high68 Ų6850.8 Ų50.836%0.36428%0.28SS..THydrogen-bonded Turntrans5145.6-172.9-174.237.1000112.1S447 Y483 N484S447-N488 WeakPolarHBondContact CB-O 3.38Å; S447-N488 PolarHBondContact N-OD1 2.87Å; S447-N488 PolarHBondContact OG-ND2 3.27Å; S447-N488 VanDerWaalsContact OG-ND2 3.16Å; S447-N488 PolarHBondContact OG-O 2.84Å; S447-N488 PolarHBondContact OG-OD1 3.13Å; Y483-N488 WeakPolarHBondContact CE2-OD1 3.3Å; Y483-N488 PolarHBondContact OH-OD1 2.7Å; N484-N488 WeakPolarHBondContact O-CA 3.23Å; N484-N488 PolarHBondContact O-N 3.29Å
489A98.3Very high97.8Very high40 Ų4046.7 Ų46.733%0.33127%0.271SS..EExtended strand (participates in β ladder)trans-137.2148.5-176.900000112.3Y483 N484 T487Y483-A489 WeakPolarHBondContact CA-O 3.36Å; N484-A489 PolarHBondContact N-O 3.46Å; T487-A489 VanDerWaalsContact C-N 3.27Å; T487-A489 PolarHBondContact O-N 3.42Å
490W98.6Very high97.7Very high23 Ų2345.5 Ų45.59%0.08726%0.262CS..EExtended strand (participates in β ladder)trans-97135.2174.2-66.991.5000110.7A433 I446 S447 M449 A467 E481 A482 Y483A433-W490 HydrophobicContact CB-CZ2 4.08Å; I446-W490 HydrophobicContact CD1-CZ2 4.21Å; S447-W490 PolarHBondContact O-NE1 3.35Å; M449-W490 HydrophobicContact CG-CD2 3.96Å; M449-W490 HydrophobicContact CG-CE3 4.21Å; M449-W490 HydrophobicContact CG-CH2 3.82Å; M449-W490 HydrophobicContact CG-CZ2 3.52Å; M449-W490 HydrophobicContact CG-CZ3 4.16Å; M449-W490 HydrophobicContact SD-CH2 4.19Å; M449-W490 HydrophobicContact SD-CZ2 4.38Å; A467-W490 HydrophobicContact CB-CE3 4.43Å; A467-W490 HydrophobicContact CB-CH2 3.87Å; A467-W490 HydrophobicContact CB-CZ3 3.49Å; A467-W490 VanDerWaalsContact CB-CZ3 3.49Å; E481-W490 HydrophobicContact CB-CE3 4.1Å; E481-W490 HydrophobicContact CG-CE3 3.68Å; E481-W490 HydrophobicContact CG-CZ3 4.1Å; A482-W490 WeakPolarHBondContact O-CA 3.41Å; Y483-W490 HydrophobicContact CD2-CD2 4.11Å; Y483-W490 AromaticContact CD2-CE2 3.74Å; Y483-W490 HydrophobicContact CD2-CG 4.28Å; Y483-W490 HydrophobicContact CD2-CZ2 4.18Å; Y483-W490 AromaticContact CD2-NE1 3.67Å; Y483-W490 HydrophobicContact CG-CD2 4.37Å; Y483-W490 HydrophobicContact CG-CH2 4.43Å; Y483-W490 HydrophobicContact CG-CZ2 4.12Å
491T98.1Very high97.7Very high89 Ų8945.6 Ų45.655%0.54626%0.262SS..EExtended strand (participates in β ladder)trans-121.3133.4175.1-52.60000109.7E481 A482E481-T491 CarbonylContact C-O 3.59Å; E481-T491 VanDerWaalsContact CA-O 3.27Å; E481-T491 WeakPolarHBondContact CA-O 3.45Å; A482-T491 PolarHBondContact N-O 3.12Å; A482-T491 PolarHBondContact O-N 3.48Å
492N98.1Very high97.6Very high107 Ų10747.4 Ų47.457%0.57227%0.272SS*.EExtended strand (participates in β ladder)trans-67.1134.6174.6-68.5-44.2000110.2
493V97.7Very high97.6Very high26 Ų2647.6 Ų47.616%0.15827%0.272CS..EExtended strand (participates in β ladder)trans-113.1177.4172.3-59.90000109.6Y466 A480 A482 S495Y466-V493 HydrophobicContact CD1-CG2 4.28Å; Y466-V493 HydrophobicContact CE1-CG1 4.16Å; Y466-V493 HydrophobicContact CE1-CG2 4.16Å; A480-V493 HydrophobicContact CB-CG2 3.52Å; A480-V493 WeakPolarHBondContact O-CG2 3.46Å; A480-V493 PolarHBondContact O-N 2.78Å; A482-V493 HydrophobicContact CB-CG1 3.9Å; V493-S495 PolarHBondContact O-N 3.33Å
494A97.9Very high97.6Very high26 Ų2647.4 Ų47.422%0.21527%0.272CS..PPolyproline II helixtrans-55.3140.7177.900000111.2Y530 N535 W537A494-Y530 HydrophobicContact CB-CE2 4.27Å; A494-N535 WeakPolarHBondContact CB-O 3.49Å; A494-N535 VanDerWaalsContact CB-OD1 3.31Å; A494-N535 WeakPolarHBondContact CB-OD1 3.18Å; A494-N535 PolarHBondContact N-OD1 3.47Å; A494-W537 PolarHBondContact O-NE1 3.03Å
495S98Very high97.6Very high55 Ų5546.5 Ų46.539%0.38527%0.267SS..PPolyproline II helixtrans-79.6146.7177.9-64.30000110.7R478 V493R478-S495 CarbonylContact O-C 3.39Å; R478-S495 WeakPolarHBondContact O-CA 3.31Å; V493-S495 PolarHBondContact O-N 3.33Å
496M97.8Very high97.6Very high2 Ų247.2 Ų47.21%0.0127%0.267CS..PPolyproline II helixtrans-54.4159168.2-66.7-177.2-64.200111V468 R478 R500 V514 E528 W537V468-M496 HydrophobicContact CG1-CE 3.68Å; V468-M496 HydrophobicContact CG1-CG 3.95Å; V468-M496 HydrophobicContact CG1-SD 3.4Å; V468-M496 WeakPolarHBondContact CG1-SD 3.45Å; R478-M496 HydrophobicContact CB-CB 4.15Å; R478-M496 WeakPolarHBondContact CD-O 3.22Å; R478-M496 PolarHBondContact O-N 2.75Å; M496-R500 HydrophobicContact CE-CG 3.55Å; M496-R500 HydrophobicContact SD-CG 3.92Å; M496-V514 HydrophobicContact SD-CB 4.3Å; M496-V514 HydrophobicContact SD-CG1 4.1Å; M496-V514 HydrophobicContact SD-CG2 3.8Å; M496-E528 WeakPolarHBondContact CB-OE2 3.36Å; M496-W537 HydrophobicContact CB-CD2 4.38Å; M496-W537 HydrophobicContact CG-CD2 3.82Å; M496-W537 HydrophobicContact CG-CE3 3.95Å; M496-W537 HydrophobicContact CG-CH2 3.71Å; M496-W537 HydrophobicContact CG-CZ2 3.57Å; M496-W537 HydrophobicContact CG-CZ3 3.91Å; M496-W537 HydrophobicContact SD-CH2 4.21Å; M496-W537 HydrophobicContact SD-CZ3 4.43Å
497I96.8Very high97.6Very high84 Ų8440.6 Ų40.643%0.43124%0.239SC..SBendtrans-68.4-47.7174.4-56.2169.6000109E528 W537 E539I497-E528 WeakPolarHBondContact CB-OE2 3.37Å; I497-E528 HydrophobicContact CD1-CG 4.38Å; I497-E528 PolarHBondContact N-OE2 2.97Å; I497-W537 HydrophobicContact CG1-CB 4.24Å; I497-E539 HydrophobicContact CD1-CB 4.07Å
498T94.4Very high97.4Very high40 Ų4036.5 Ų36.525%0.24521%0.214CC..SBendtrans-109.8145.6-17866.60000112.9R500 E528T498-R500 PolarHBondContact OG1-NE 2.87Å; T498-R500 PolarHBondContact OG1-NH2 3.4Å; T498-E528 WeakPolarHBondContact CB-OE1 3.21Å; T498-E528 PolarHBondContact N-OE1 2.73Å; T498-E528 PolarHBondContact OG1-OE1 2.92Å
499T96Very high97Very high51 Ų5135.5 Ų35.531%0.31321%0.207SC..  trans-75.1134.4171.950.30000109.9R476 R478 N519R476-T499 VanDerWaalsContact O-CG2 3.3Å; R476-T499 WeakPolarHBondContact O-CG2 3.36Å; R478-T499 HydrophobicContact CB-CG2 3.87Å; R478-T499 HydrophobicContact CG-CG2 4.16Å; T499-N519 VanDerWaalsContact O-CA 3.31Å; T499-N519 WeakPolarHBondContact O-CA 3.2Å; T499-N519 WeakPolarHBondContact O-CB 3.42Å
500R96.7Very high96.6Very high1 Ų138.6 Ų38.60%0.00422%0.218CC..  trans-154.1148.3-179.156.9-179.479-155.313.2112.8G470 L477 M496 T498 F503 V514 G516 F518 H526 E528G470-R500 PolarHBondContact N-O 3.26Å; L477-R500 PolarHBondContact O-N 3.23Å; M496-R500 HydrophobicContact CE-CG 3.55Å; M496-R500 HydrophobicContact SD-CG 3.92Å; T498-R500 PolarHBondContact OG1-NE 2.87Å; T498-R500 PolarHBondContact OG1-NH2 3.4Å; R500-F503 HydrophobicContact CB-CD1 3.97Å; R500-F503 HydrophobicContact CB-CG 4.48Å; R500-F503 HydrophobicContact CG-CD1 3.54Å; R500-F503 HydrophobicContact CG-CE1 3.78Å; R500-F503 HydrophobicContact CG-CG 3.96Å; R500-F503 HydrophobicContact CG-CZ 4.37Å; R500-V514 PolarHBondContact NH1-O 2.83Å; R500-G516 PolarHBondContact NH1-O 3.21Å; R500-F518 WeakPolarHBondContact CA-O 3.23Å; R500-H526 PolarHBondContact NH1-O 3.44Å; R500-E528 IonicContact CZ-OE1 2.73Å; R500-E528 IonicContact NE-OE1 3.29Å; R500-E528 VanDerWaalsContact NH2-CD 3.31Å; R500-E528 IonicContact NH2-OE1 3.06Å; R500-E528 PolarHBondContact NH2-OE1 2.96Å
501S97.8Very high96.4Very high4 Ų441.2 Ų41.23%0.02823%0.228CC..BIsolated β-bridgetrans-133.5157.6169.853.80000109G455 F503 G517 F518G455-S501 CarbonylContact O-C 3.54Å; G455-S501 WeakPolarHBondContact O-CA 3.3Å; S501-F503 PolarHBondContact O-N 2.86Å; S501-G517 CarbonylContact O-C 3.58Å; S501-G517 WeakPolarHBondContact O-CA 2.91Å; S501-F518 PolarHBondContact N-O 3.42Å; S501-F518 PolarHBondContact O-N 2.7Å; S501-F518 PolarHBondContact OG-O 2.89Å
502N97.7Very high96.4Very high38 Ų3837 Ų3720%0.20320%0.202CC..SBendtrans53.951179.4-62.6-33.4000112.3D408 G455 G517 S548 A549D408-N502 PolarHBondContact OD1-OD1 2.86Å; G455-N502 WeakPolarHBondContact CA-OD1 3.4Å; G455-N502 PolarHBondContact O-N 3.04Å; N502-G517 WeakPolarHBondContact O-CA 3.29Å; N502-S548 CarbonylContact O-C 3.47Å; N502-A549 PolarHBondContact O-N 3.44Å
503F98.3Very high96.4Very high10 Ų1032 Ų324%0.04418%0.175CC..  trans-113.9160.6179.859.5-86.5000110.2V468 R500 S501 I505 V514 V515 G516V468-F503 HydrophobicContact CB-CZ 4.25Å; V468-F503 HydrophobicContact CG1-CZ 4.14Å; V468-F503 VanDerWaalsContact O-CZ 3.26Å; V468-F503 WeakPolarHBondContact O-CZ 3.14Å; R500-F503 HydrophobicContact CB-CD1 3.97Å; R500-F503 HydrophobicContact CB-CG 4.48Å; R500-F503 HydrophobicContact CG-CD1 3.54Å; R500-F503 HydrophobicContact CG-CE1 3.78Å; R500-F503 HydrophobicContact CG-CG 3.96Å; R500-F503 HydrophobicContact CG-CZ 4.37Å; S501-F503 PolarHBondContact O-N 2.86Å; F503-I505 HydrophobicContact CD2-CB 4.47Å; F503-I505 HydrophobicContact CE2-CB 4.14Å; F503-I505 HydrophobicContact CE2-CD1 4.48Å; F503-V514 HydrophobicContact CD2-CB 3.81Å; F503-V514 HydrophobicContact CD2-CG1 4Å; F503-V514 HydrophobicContact CE2-CB 3.88Å; F503-V514 HydrophobicContact CE2-CG1 3.55Å; F503-V514 HydrophobicContact CZ-CG1 4.5Å; F503-V515 WeakPolarHBondContact CB-O 3.47Å; F503-G516 WeakPolarHBondContact CB-O 3.33Å
504G98Very high96.5Very high2 Ų230.8 Ų30.82%0.02117%0.167CC..EExtended strand (participates in β ladder)trans-81.3140.3172.900000110.3V514 V515 V550G504-V514 CarbonylContact O-C 3.6Å; G504-V514 WeakPolarHBondContact O-CA 3.44Å; G504-V515 PolarHBondContact N-O 2.89Å; G504-V515 PolarHBondContact O-N 3.36Å; G504-V550 WeakPolarHBondContact CA-O 3.13Å; G504-V550 PolarHBondContact N-O 2.91Å
505I98.4Very high96.5Very high13 Ų1329.5 Ų29.57%0.06716%0.157CC..EExtended strand (participates in β ladder)trans-133.9136.9177.3-172.1171000108.9V459 V468 F503 L512 F513 V514V459-I505 HydrophobicContact CB-CD1 4.1Å; V459-I505 HydrophobicContact CB-CG1 4.15Å; V459-I505 HydrophobicContact CG1-CD1 3.64Å; V459-I505 HydrophobicContact CG1-CG1 3.91Å; V468-I505 HydrophobicContact CB-CD1 4.17Å; V468-I505 HydrophobicContact CG2-CD1 4Å; F503-I505 HydrophobicContact CD2-CB 4.47Å; F503-I505 HydrophobicContact CE2-CB 4.14Å; F503-I505 HydrophobicContact CE2-CD1 4.48Å; I505-L512 HydrophobicContact CD1-CD1 4.36Å; I505-L512 HydrophobicContact CD1-CD2 4.03Å; I505-L512 HydrophobicContact CD1-CG 4.36Å; I505-L512 HydrophobicContact CG1-CD2 4.02Å; I505-L512 HydrophobicContact CG1-CG 4.35Å; I505-F513 VanDerWaalsContact CA-O 3.31Å; I505-F513 WeakPolarHBondContact CA-O 3.29Å; I505-V514 HydrophobicContact CD1-CG1 4.35Å; I505-V514 HydrophobicContact CG1-CG1 4.21Å
506E98Very high96.5Very high45 Ų4526.9 Ų26.921%0.2114%0.139CC..EExtended strand (participates in β ladder)trans-163.8158.9178.9-162.151.3-93.400111.3L276 F513 C552 V554L276-E506 HydrophobicContact CD1-CB 3.65Å; L276-E506 HydrophobicContact CD1-CG 4.03Å; E506-F513 PolarHBondContact N-O 3.28Å; E506-F513 VanDerWaalsContact N-O 3.13Å; E506-F513 PolarHBondContact O-N 3.45Å; E506-C552 HydrophobicContact CB-CB 4.12Å; E506-V554 HydrophobicContact CB-CG2 4.47Å; E506-V554 HydrophobicContact CG-CB 4.4Å; E506-V554 HydrophobicContact CG-CG2 3.38Å
507V97.2Very high96.4Very high38 Ų3826.8 Ų26.823%0.2314%0.138CC..EExtended strand (participates in β ladder)trans-104.9127.6175.6174.30000110.8V459 Y461 R511 L512V459-V507 HydrophobicContact CG1-CG2 4.25Å; V459-V507 HydrophobicContact CG2-CG2 3.74Å; Y461-V507 HydrophobicContact CD2-CG1 3.86Å; Y461-V507 HydrophobicContact CD2-CG2 3.87Å; Y461-V507 HydrophobicContact CE2-CG1 4.21Å; Y461-V507 HydrophobicContact CG-CG2 4.02Å; V507-R511 CarbonylContact C-O 3.57Å; V507-R511 WeakPolarHBondContact CA-O 3.41Å; V507-L512 HydrophobicContact CG2-CB 4.3Å
508V94.4Very high96.4Very high4 Ų425.1 Ų25.12%0.02413%0.128CC..EExtended strand (participates in β ladder)trans-135.4131176.6-167.50000110.5L276 V296 D510 R511 F513 V554L276-V508 HydrophobicContact CB-CG2 4Å; L276-V508 HydrophobicContact CD1-CG2 4.37Å; V296-V508 HydrophobicContact CB-CG1 4.49Å; V296-V508 HydrophobicContact CG1-CB 3.97Å; V296-V508 HydrophobicContact CG1-CG1 3.6Å; V296-V508 HydrophobicContact CG2-CG1 4.11Å; V508-D510 VanDerWaalsContact C-N 3.26Å; V508-D510 PolarHBondContact O-N 3Å; V508-R511 PolarHBondContact N-O 3.12Å; V508-R511 PolarHBondContact O-N 2.85Å; V508-F513 HydrophobicContact CB-CD2 4.13Å; V508-F513 HydrophobicContact CB-CE2 3.93Å; V508-F513 HydrophobicContact CG2-CD2 4.25Å; V508-V554 HydrophobicContact CG2-CG2 3.31Å
509E89.1Confident96.3Very high48 Ų4825.4 Ų25.422%0.22413%0.128CC..THydrogen-bonded Turntrans4648.9178.9-64.9-160.6153.400113.2T273 V296 R297 R511T273-E509 PolarHBondContact N-OE1 2.7Å; T273-E509 VanDerWaalsContact OG1-CG 3.32Å; T273-E509 WeakPolarHBondContact OG1-CG 3.26Å; T273-E509 PolarHBondContact OG1-OE1 2.8Å; V296-E509 HydrophobicContact CG2-CG 4.11Å; R297-E509 IonicContact CZ-OE1 2.82Å; R297-E509 IonicContact NE-OE1 3.06Å; R297-E509 PolarHBondContact NE-OE1 2.78Å; R297-E509 VanDerWaalsContact NE-OE1 3.15Å; R297-E509 IonicContact NE-OE2 3.99Å; R297-E509 PolarHBondContact NE-OE2 2.78Å; R297-E509 IonicContact NH2-OE1 3.39Å; R297-E509 PolarHBondContact NH2-OE1 2.87Å; R297-E509 IonicContact NH2-OE2 2.83Å; E509-R511 VanDerWaalsContact C-N 3.29Å; E509-R511 PolarHBondContact O-N 3.11Å
510D90.2Very high96.1Very high104 Ų10424 Ų2456%0.55612%0.124SC*.THydrogen-bonded Turntrans60.335.3178.6-159.833.2000113.6Y461 V508Y461-D510 PolarHBondContact OH-O 2.85Å; V508-D510 VanDerWaalsContact C-N 3.26Å; V508-D510 PolarHBondContact O-N 3Å
511R94.3Very high95.7Very high79 Ų7933.2 Ų33.230%0.29816%0.164SC..EExtended strand (participates in β ladder)trans-138141.1170.6-66.6-173.7-67.1-89.22.2110.1V507 V508 E509 F513V507-R511 CarbonylContact C-O 3.57Å; V507-R511 WeakPolarHBondContact CA-O 3.41Å; V508-R511 PolarHBondContact N-O 3.12Å; V508-R511 PolarHBondContact O-N 2.85Å; E509-R511 VanDerWaalsContact C-N 3.29Å; E509-R511 PolarHBondContact O-N 3.11Å; R511-F513 HydrophobicContact CB-CD2 4.38Å; R511-F513 HydrophobicContact CB-CE2 3.73Å; R511-F513 HydrophobicContact CB-CZ 4.3Å; R511-F513 WeakPolarHBondContact O-CD2 3.39Å
512L97.8Very high95.5Very high0 Ų036.5 Ų36.50%019%0.185CC..EExtended strand (participates in β ladder)trans-89.3125.9175.7179170.7000108.9V459 Y461 Y466 V468 I505 V507 V514 C529 Y530 W537V459-L512 HydrophobicContact CG1-CD1 3.44Å; V459-L512 VanDerWaalsContact CG1-CD1 3.44Å; V459-L512 HydrophobicContact CG1-CG 3.79Å; Y461-L512 HydrophobicContact CD1-CB 3.94Å; Y461-L512 HydrophobicContact CD1-CD1 4.21Å; Y461-L512 HydrophobicContact CE1-CB 4.04Å; Y461-L512 HydrophobicContact CG-CB 4.41Å; Y466-L512 HydrophobicContact CD1-CD1 4.29Å; Y466-L512 HydrophobicContact CG-CD1 4.13Å; V468-L512 HydrophobicContact CG2-CD1 4.49Å; I505-L512 HydrophobicContact CD1-CD1 4.36Å; I505-L512 HydrophobicContact CD1-CD2 4.03Å; I505-L512 HydrophobicContact CD1-CG 4.36Å; I505-L512 HydrophobicContact CG1-CD2 4.02Å; I505-L512 HydrophobicContact CG1-CG 4.35Å; V507-L512 HydrophobicContact CG2-CB 4.3Å; L512-V514 HydrophobicContact CD2-CG1 3.81Å; L512-C529 CarbonylContact O-C 3.39Å; L512-C529 WeakPolarHBondContact O-CA 3.42Å; L512-Y530 HydrophobicContact CB-CD1 4.48Å; L512-Y530 PolarHBondContact N-O 3.09Å; L512-Y530 PolarHBondContact O-N 2.74Å; L512-W537 HydrophobicContact CD2-CH2 3.53Å; L512-W537 HydrophobicContact CD2-CZ3 3.95Å
513F98.4Very high95.4Very high2 Ų235.8 Ų35.81%0.00918%0.182CC..EExtended strand (participates in β ladder)trans-108.5141.5178-71.4-96.6000111.4L276 Y294 V296 I505 E506 V508 R511 V527 E528 C529 V540L276-F513 HydrophobicContact CD2-CB 3.87Å; L276-F513 HydrophobicContact CD2-CG 4.15Å; Y294-F513 HydrophobicContact CD1-CE1 4.46Å; Y294-F513 HydrophobicContact CE1-CD1 4.16Å; Y294-F513 AromaticContact CE1-CE1 3.6Å; Y294-F513 HydrophobicContact CE1-CE1 3.6Å; Y294-F513 HydrophobicContact CE1-CZ 4.19Å; V296-F513 HydrophobicContact CB-CZ 4.42Å; V296-F513 HydrophobicContact CG1-CE2 4.18Å; V296-F513 HydrophobicContact CG1-CZ 3.93Å; I505-F513 VanDerWaalsContact CA-O 3.31Å; I505-F513 WeakPolarHBondContact CA-O 3.29Å; E506-F513 PolarHBondContact N-O 3.28Å; E506-F513 VanDerWaalsContact N-O 3.13Å; E506-F513 PolarHBondContact O-N 3.45Å; V508-F513 HydrophobicContact CB-CD2 4.13Å; V508-F513 HydrophobicContact CB-CE2 3.93Å; V508-F513 HydrophobicContact CG2-CD2 4.25Å; R511-F513 HydrophobicContact CB-CD2 4.38Å; R511-F513 HydrophobicContact CB-CE2 3.73Å; R511-F513 HydrophobicContact CB-CZ 4.3Å; R511-F513 WeakPolarHBondContact O-CD2 3.39Å; F513-V527 HydrophobicContact CD1-CG1 4.27Å; F513-E528 WeakPolarHBondContact CA-O 3.33Å; F513-C529 HydrophobicContact CD1-CB 3.65Å; F513-C529 HydrophobicContact CE1-CB 3.5Å; F513-C529 HydrophobicContact CE2-CB 4.42Å; F513-C529 HydrophobicContact CG-CB 4.18Å; F513-C529 HydrophobicContact CZ-CB 3.93Å; F513-V540 HydrophobicContact CD1-CG2 4.44Å; F513-V540 HydrophobicContact CE1-CG2 4.31Å
514V98.4Very high95.2Very high0 Ų035.6 Ų35.60%018%0.181CC..EExtended strand (participates in β ladder)trans-121.4128.9169.2-61.30000109.9V468 M496 R500 F503 G504 I505 L512 V527 E528 W537V468-V514 HydrophobicContact CG1-CG1 4.23Å; M496-V514 HydrophobicContact SD-CB 4.3Å; M496-V514 HydrophobicContact SD-CG1 4.1Å; M496-V514 HydrophobicContact SD-CG2 3.8Å; R500-V514 PolarHBondContact NH1-O 2.83Å; F503-V514 HydrophobicContact CD2-CB 3.81Å; F503-V514 HydrophobicContact CD2-CG1 4Å; F503-V514 HydrophobicContact CE2-CB 3.88Å; F503-V514 HydrophobicContact CE2-CG1 3.55Å; F503-V514 HydrophobicContact CZ-CG1 4.5Å; G504-V514 CarbonylContact O-C 3.6Å; G504-V514 WeakPolarHBondContact O-CA 3.44Å; I505-V514 HydrophobicContact CD1-CG1 4.35Å; I505-V514 HydrophobicContact CG1-CG1 4.21Å; L512-V514 HydrophobicContact CD2-CG1 3.81Å; V514-V527 VanDerWaalsContact O-CA 3.3Å; V514-V527 WeakPolarHBondContact O-CA 3.38Å; V514-V527 WeakPolarHBondContact O-CG1 3.38Å; V514-E528 HydrophobicContact CG2-CB 3.7Å; V514-E528 PolarHBondContact N-O 2.87Å; V514-E528 PolarHBondContact O-N 3.48Å; V514-W537 HydrophobicContact CB-CZ3 4.35Å; V514-W537 HydrophobicContact CG1-CH2 3.73Å; V514-W537 HydrophobicContact CG1-CZ3 3.78Å; V514-W537 HydrophobicContact CG2-CE3 4.36Å; V514-W537 HydrophobicContact CG2-CH2 4.34Å; V514-W537 HydrophobicContact CG2-CZ3 3.65Å
515V98.4Very high95.1Very high0 Ų039.4 Ų39.40%020%0.196CC..EExtended strand (participates in β ladder)trans-126.1117.7-163.4-179.80000110.3L276 A278 W301 F503 G504 V527 M543 V550L276-V515 HydrophobicContact CD2-CG2 3.78Å; A278-V515 HydrophobicContact CB-CG1 4Å; W301-V515 HydrophobicContact CH2-CG1 3.88Å; W301-V515 HydrophobicContact CH2-CG2 4.28Å; W301-V515 HydrophobicContact CZ2-CG1 4.13Å; W301-V515 HydrophobicContact CZ2-CG2 4.42Å; F503-V515 WeakPolarHBondContact CB-O 3.47Å; G504-V515 PolarHBondContact N-O 2.89Å; G504-V515 PolarHBondContact O-N 3.36Å; V515-V527 HydrophobicContact CG1-CG2 4.28Å; V515-V527 HydrophobicContact CG2-CG1 4.07Å; V515-M543 HydrophobicContact CG1-CE 3.81Å; V515-M543 HydrophobicContact CG1-CG 3.97Å; V515-M543 HydrophobicContact CG1-SD 3.2Å; V515-M543 WeakPolarHBondContact CG1-SD 3.48Å; V515-V550 VanDerWaalsContact O-CG1 3.26Å; V515-V550 WeakPolarHBondContact O-CG1 3.41Å
516G97.6Very high95Very high0 Ų041.4 Ų41.40%021%0.205CC..EExtended strand (participates in β ladder)trans63.3-142.7176.900000113.5R500 F503 S524 H526 M543R500-G516 PolarHBondContact NH1-O 3.21Å; F503-G516 WeakPolarHBondContact CB-O 3.33Å; G516-S524 WeakPolarHBondContact CA-O 3.39Å; G516-H526 PolarHBondContact N-O 2.83Å; G516-H526 VanDerWaalsContact N-O 3.11Å; G516-M543 VanDerWaalsContact CA-CE 3.43Å
517G97.3Very high95Very high0 Ų039.2 Ų39.20%020%0.195CC..EExtended strand (participates in β ladder)trans112.2-171.5179.600000114S501 N502 T523 S524 R547S501-G517 CarbonylContact O-C 3.58Å; S501-G517 WeakPolarHBondContact O-CA 2.91Å; N502-G517 WeakPolarHBondContact O-CA 3.29Å; G517-T523 CarbonylContact O-C 3.43Å; G517-T523 WeakPolarHBondContact O-CA 3.42Å; G517-S524 PolarHBondContact O-N 2.85Å; G517-R547 PolarHBondContact N-O 3.46Å
518F96.4Very high95Very high49 Ų4937.5 Ų37.522%0.21518%0.184CC..EExtended strand (participates in β ladder)trans-117.3121.4175.1-173.6-104.7000110R500 S501 G520 T522R500-F518 WeakPolarHBondContact CA-O 3.23Å; S501-F518 PolarHBondContact N-O 3.42Å; S501-F518 PolarHBondContact O-N 2.7Å; S501-F518 PolarHBondContact OG-O 2.89Å; F518-G520 WeakPolarHBondContact CE1-O 3.22Å; F518-G520 WeakPolarHBondContact CZ-O 3.35Å; F518-T522 VanDerWaalsContact CD2-O 3.31Å; F518-T522 WeakPolarHBondContact CD2-O 3.3Å
519N92.9Very high95.1Very high46 Ų4637.7 Ų37.725%0.24619%0.185CC..  trans-87.8-5.4-174.667.69.1000114.3T499 F521 T522T499-N519 VanDerWaalsContact O-CA 3.31Å; T499-N519 WeakPolarHBondContact O-CA 3.2Å; T499-N519 WeakPolarHBondContact O-CB 3.42Å; N519-F521 PolarHBondContact OD1-N 2.99Å; N519-T522 PolarHBondContact N-O 2.58Å; N519-T522 PolarHBondContact OD1-N 3.46Å; N519-T522 PolarHBondContact OD1-O 2.9Å; N519-T522 VanDerWaalsContact OD1-O 3.13Å
520G90.1Very high95.6Very high22 Ų2235.6 Ų35.623%0.22718%0.175CC..SBendtrans116.2-25.4-173.600000113.5F518F518-G520 WeakPolarHBondContact CE1-O 3.22Å; F518-G520 WeakPolarHBondContact CZ-O 3.35Å
521F89.6Confident95.7Very high193 Ų19332.5 Ų32.585%0.84616%0.159SC*.SBendtrans-118.9-44.2-178.2-56.4-80.8000112.2N519N519-F521 PolarHBondContact OD1-N 2.99Å
522T93.1Very high95.5Very high74 Ų7430.1 Ų30.145%0.45416%0.156SC..SBendtrans-144.1163.8-175.6-170.90000111.7F518 N519F518-T522 VanDerWaalsContact CD2-O 3.31Å; F518-T522 WeakPolarHBondContact CD2-O 3.3Å; N519-T522 PolarHBondContact N-O 2.58Å; N519-T522 PolarHBondContact OD1-N 3.46Å; N519-T522 PolarHBondContact OD1-O 2.9Å; N519-T522 VanDerWaalsContact OD1-O 3.13Å
523T95.3Very high95.2Very high23 Ų2335.9 Ų35.914%0.14119%0.192CC..EExtended strand (participates in β ladder)trans-66.813716651.60000109.9W282 G517 F546W282-T523 WeakPolarHBondContact O-CG2 3.4Å; G517-T523 CarbonylContact O-C 3.43Å; G517-T523 WeakPolarHBondContact O-CA 3.42Å; T523-F546 PolarHBondContact OG1-O 2.7Å
524S94.9Very high95Very high6 Ų643.1 Ų43.14%0.04222%0.219CC..EExtended strand (participates in β ladder)trans-100.3149.8-177.5-174.50000111G516 G517 H526 R547G516-S524 WeakPolarHBondContact CA-O 3.39Å; G517-S524 PolarHBondContact O-N 2.85Å; S524-H526 PolarHBondContact OG-CD2 3.39Å; S524-H526 PolarHBondContact OG-N 3.2Å; S524-H526 VanDerWaalsContact OG-N 3.1Å; S524-R547 PolarHBondContact O-N 2.97Å; S524-R547 VanDerWaalsContact O-N 3.09Å
525Y95.5Very high94.8Very high82 Ų8246.7 Ų46.732%0.32224%0.238SC..EExtended strand (participates in β ladder)trans-111.1-5.4167.270.3-73.9000111.5G542 M543 F546Y525-G542 CarbonylContact O-C 3.57Å; Y525-G542 VanDerWaalsContact O-CA 3.26Å; Y525-G542 WeakPolarHBondContact O-CA 2.93Å; Y525-M543 WeakPolarHBondContact CD2-O 3Å; Y525-M543 PolarHBondContact O-N 3.07Å; Y525-F546 AromaticContact CD1-CD1 3.34Å; Y525-F546 HydrophobicContact CD1-CD1 3.34Å; Y525-F546 AromaticContact CD1-CE1 2.96Å; Y525-F546 HydrophobicContact CD1-CE1 2.96Å; Y525-F546 HydrophobicContact CD1-CE2 4.21Å; Y525-F546 HydrophobicContact CD1-CG 4.12Å; Y525-F546 AromaticContact CD1-CZ 3.44Å; Y525-F546 HydrophobicContact CD1-CZ 3.44Å; Y525-F546 VanDerWaalsContact CD1-CZ 3.44Å; Y525-F546 HydrophobicContact CE1-CD1 4.07Å; Y525-F546 AromaticContact CE1-CE1 3.24Å; Y525-F546 HydrophobicContact CE1-CE1 3.24Å; Y525-F546 AromaticContact CE1-CZ 3.59Å; Y525-F546 HydrophobicContact CE1-CZ 3.59Å; Y525-F546 HydrophobicContact CG-CD1 4.07Å; Y525-F546 AromaticContact CG-CE1 3.87Å; Y525-F546 HydrophobicContact CG-CE1 3.87Å; Y525-F546 HydrophobicContact CG-CE2 4.37Å; Y525-F546 HydrophobicContact CG-CG 4.44Å; Y525-F546 AromaticContact CG-CZ 3.98Å; Y525-F546 HydrophobicContact CG-CZ 3.98Å
526H96.4Very high94.7Very high54 Ų5450.7 Ų50.725%0.2526%0.256CS..EExtended strand (participates in β ladder)trans-65.7139.9-177.7-66.5-84.1000110.9R500 G516 S524 E539R500-H526 PolarHBondContact NH1-O 3.44Å; G516-H526 PolarHBondContact N-O 2.83Å; G516-H526 VanDerWaalsContact N-O 3.11Å; S524-H526 PolarHBondContact OG-CD2 3.39Å; S524-H526 PolarHBondContact OG-N 3.2Å; S524-H526 VanDerWaalsContact OG-N 3.1Å; H526-E539 IonicContact CE1-OE1 2.88Å; H526-E539 IonicContact CG-OE1 3.27Å; H526-E539 IonicContact ND1-OE1 3.78Å; H526-E539 PolarHBondContact ND1-OE1 3.49Å
527V97.6Very high94.7Very high0 Ų051.7 Ų51.70%026%0.26CS..EExtended strand (participates in β ladder)trans-122.4133.6177.1-175.20000107.3W301 F513 V514 V515 V540 M543W301-V527 HydrophobicContact CZ2-CG1 4.4Å; W301-V527 HydrophobicContact CZ2-CG2 3.73Å; F513-V527 HydrophobicContact CD1-CG1 4.27Å; V514-V527 VanDerWaalsContact O-CA 3.3Å; V514-V527 WeakPolarHBondContact O-CA 3.38Å; V514-V527 WeakPolarHBondContact O-CG1 3.38Å; V515-V527 HydrophobicContact CG1-CG2 4.28Å; V515-V527 HydrophobicContact CG2-CG1 4.07Å; V527-V540 HydrophobicContact CB-CG2 3.68Å; V527-V540 HydrophobicContact CG1-CG2 3.4Å; V527-V540 VanDerWaalsContact CG1-CG2 3.4Å; V527-V540 PolarHBondContact O-N 3.14Å; V527-M543 HydrophobicContact CG2-CG 4.06Å
528E97.7Very high94.7Very high1 Ų155.9 Ų55.91%0.00528%0.282CS..EExtended strand (participates in β ladder)trans-125.9147.9175.6-59.9171-136.700108.8M496 I497 T498 R500 F513 V514 W537 L538M496-E528 WeakPolarHBondContact CB-OE2 3.36Å; I497-E528 WeakPolarHBondContact CB-OE2 3.37Å; I497-E528 HydrophobicContact CD1-CG 4.38Å; I497-E528 PolarHBondContact N-OE2 2.97Å; T498-E528 WeakPolarHBondContact CB-OE1 3.21Å; T498-E528 PolarHBondContact N-OE1 2.73Å; T498-E528 PolarHBondContact OG1-OE1 2.92Å; R500-E528 IonicContact CZ-OE1 2.73Å; R500-E528 IonicContact NE-OE1 3.29Å; R500-E528 VanDerWaalsContact NH2-CD 3.31Å; R500-E528 IonicContact NH2-OE1 3.06Å; R500-E528 PolarHBondContact NH2-OE1 2.96Å; F513-E528 WeakPolarHBondContact CA-O 3.33Å; V514-E528 HydrophobicContact CG2-CB 3.7Å; V514-E528 PolarHBondContact N-O 2.87Å; V514-E528 PolarHBondContact O-N 3.48Å; E528-W537 HydrophobicContact CB-CE3 3.87Å; E528-W537 HydrophobicContact CB-CZ3 4.36Å; E528-L538 CarbonylContact C-O 3.55Å; E528-L538 VanDerWaalsContact CA-O 3.25Å; E528-L538 WeakPolarHBondContact CA-O 3.46Å
529C97.1Very high94.6Very high8 Ų859 Ų595%0.05430%0.298CS..EExtended strand (participates in β ladder)trans-121147172.2760000111L512 F513 W537 L538 V540L512-C529 CarbonylContact O-C 3.39Å; L512-C529 WeakPolarHBondContact O-CA 3.42Å; F513-C529 HydrophobicContact CD1-CB 3.65Å; F513-C529 HydrophobicContact CE1-CB 3.5Å; F513-C529 HydrophobicContact CE2-CB 4.42Å; F513-C529 HydrophobicContact CG-CB 4.18Å; F513-C529 HydrophobicContact CZ-CB 3.93Å; C529-W537 CarbonylContact O-C 3.54Å; C529-W537 WeakPolarHBondContact O-CA 3.35Å; C529-L538 PolarHBondContact N-O 2.88Å; C529-L538 PolarHBondContact O-N 3.49Å; C529-V540 HydrophobicContact CB-CG1 4.24Å
530Y97.7Very high94.7Very high4 Ų458 Ų582%0.01629%0.293CS..EExtended strand (participates in β ladder)trans-115.4128.5-178.3175.1-106.2000110.7Y461 Y466 A494 L512 A532 N535 E536 W537Y461-Y530 HydrophobicContact CD1-CD1 4.35Å; Y461-Y530 AromaticContact CE1-CD1 3.88Å; Y461-Y530 HydrophobicContact CE1-CD1 3.88Å; Y461-Y530 HydrophobicContact CE1-CE1 4.17Å; Y466-Y530 HydrophobicContact CD1-CE1 4.44Å; Y466-Y530 HydrophobicContact CE1-CD1 4.32Å; Y466-Y530 AromaticContact CE1-CE1 3.61Å; Y466-Y530 HydrophobicContact CE1-CE1 3.61Å; A494-Y530 HydrophobicContact CB-CE2 4.27Å; L512-Y530 HydrophobicContact CB-CD1 4.48Å; L512-Y530 PolarHBondContact N-O 3.09Å; L512-Y530 PolarHBondContact O-N 2.74Å; Y530-A532 HydrophobicContact CE1-CB 3.99Å; Y530-N535 PolarHBondContact OH-OD1 2.85Å; Y530-E536 WeakPolarHBondContact CA-O 3.19Å; Y530-E536 WeakPolarHBondContact CD2-O 3.19Å; Y530-W537 AromaticContact CD2-CD1 3.68Å; Y530-W537 AromaticContact CD2-CD2 3.97Å; Y530-W537 HydrophobicContact CD2-CD2 3.97Å; Y530-W537 AromaticContact CD2-CE2 3.62Å; Y530-W537 HydrophobicContact CD2-CG 4.02Å; Y530-W537 HydrophobicContact CD2-CZ2 4.19Å; Y530-W537 AromaticContact CD2-NE1 3.42Å; Y530-W537 AromaticContact CE2-NE1 3.99Å; Y530-W537 HydrophobicContact CG-CD2 4.25Å; Y530-W537 AromaticContact CG-CE2 3.91Å; Y530-W537 HydrophobicContact CG-CH2 4.48Å; Y530-W537 HydrophobicContact CG-CZ2 4.06Å
531D92.6Very high94.8Very high39 Ų3958.5 Ų58.521%0.20929%0.293CS..EExtended strand (participates in β ladder)trans-101.1112.8173.4-175.4-22.5000109.1T533 R534 N535 E536D531-T533 VanDerWaalsContact C-N 3.27Å; D531-T533 PolarHBondContact O-N 3.16Å; D531-T533 WeakPolarHBondContact OD1-CA 3.43Å; D531-T533 WeakPolarHBondContact OD1-CB 3.25Å; D531-T533 PolarHBondContact OD1-N 3.27Å; D531-T533 PolarHBondContact OD1-OG1 2.95Å; D531-T533 PolarHBondContact OD2-OG1 2.79Å; D531-R534 HydrophobicContact CB-CB 4.31Å; D531-R534 PolarHBondContact O-N 3.42Å; D531-R534 PolarHBondContact OD1-N 2.99Å; D531-R534 WeakPolarHBondContact OD2-CD 3.34Å; D531-N535 WeakPolarHBondContact O-CA 3.46Å; D531-N535 PolarHBondContact O-N 2.89Å; D531-E536 PolarHBondContact N-O 3.38Å; D531-E536 PolarHBondContact O-N 3.23Å
532A91.6Very high95Very high30 Ų3050.4 Ų50.425%0.24826%0.263CS..THydrogen-bonded Turntrans-69.3-25.3-179.600000112.9Y461 A462 Y530Y461-A532 HydrophobicContact CD1-CB 4.31Å; Y461-A532 HydrophobicContact CE1-CB 3.5Å; Y461-A532 VanDerWaalsContact CE1-CB 3.5Å; A462-A532 HydrophobicContact CB-CB 4.31Å; Y530-A532 HydrophobicContact CE1-CB 3.99Å
533T91.7Very high95.1Very high121 Ų12147 Ų4774%0.74224%0.243SC*.THydrogen-bonded Turntrans-72.7-35179.770.10000111.5D531D531-T533 VanDerWaalsContact C-N 3.27Å; D531-T533 PolarHBondContact O-N 3.16Å; D531-T533 WeakPolarHBondContact OD1-CA 3.43Å; D531-T533 WeakPolarHBondContact OD1-CB 3.25Å; D531-T533 PolarHBondContact OD1-N 3.27Å; D531-T533 PolarHBondContact OD1-OG1 2.95Å; D531-T533 PolarHBondContact OD2-OG1 2.79Å
534R92.6Very high95.1Very high154 Ų15448.8 Ų48.858%0.58127%0.265SS*.THydrogen-bonded Turntrans-93.9-18.8178.7-61.9175.362.2121.72.8112.9D531 E536D531-R534 HydrophobicContact CB-CB 4.31Å; D531-R534 PolarHBondContact O-N 3.42Å; D531-R534 PolarHBondContact OD1-N 2.99Å; D531-R534 WeakPolarHBondContact OD2-CD 3.34Å; R534-E536 VanDerWaalsContact C-N 3.32Å; R534-E536 HydrophobicContact CB-CB 4.16Å; R534-E536 HydrophobicContact CB-CG 4.22Å; R534-E536 IonicContact CZ-OE2 3.89Å; R534-E536 VanDerWaalsContact CZ-OE2 3.3Å; R534-E536 IonicContact NE-OE2 3.08Å; R534-E536 PolarHBondContact NE-OE2 2.93Å; R534-E536 IonicContact NH2-OE2 3.1Å; R534-E536 PolarHBondContact NH2-OE2 3.44Å
535N95.4Very high95Very high74 Ų7450.2 Ų50.240%0.39627%0.272SS..THydrogen-bonded Turntrans53.351.1-169.2-175.834.5000110.9A494 Y530 D531A494-N535 WeakPolarHBondContact CB-O 3.49Å; A494-N535 VanDerWaalsContact CB-OD1 3.31Å; A494-N535 WeakPolarHBondContact CB-OD1 3.18Å; A494-N535 PolarHBondContact N-OD1 3.47Å; Y530-N535 PolarHBondContact OH-OD1 2.85Å; D531-N535 WeakPolarHBondContact O-CA 3.46Å; D531-N535 PolarHBondContact O-N 2.89Å
536E96.6Very high95Very high84 Ų8451 Ų5139%0.39328%0.277SS..EExtended strand (participates in β ladder)trans-137.4145.7-175.5-73.7176.8164.500111Y530 D531 R534Y530-E536 WeakPolarHBondContact CA-O 3.19Å; Y530-E536 WeakPolarHBondContact CD2-O 3.19Å; D531-E536 PolarHBondContact N-O 3.38Å; D531-E536 PolarHBondContact O-N 3.23Å; R534-E536 VanDerWaalsContact C-N 3.32Å; R534-E536 HydrophobicContact CB-CB 4.16Å; R534-E536 HydrophobicContact CB-CG 4.22Å; R534-E536 IonicContact CZ-OE2 3.89Å; R534-E536 VanDerWaalsContact CZ-OE2 3.3Å; R534-E536 IonicContact NE-OE2 3.08Å; R534-E536 PolarHBondContact NE-OE2 2.93Å; R534-E536 IonicContact NH2-OE2 3.1Å; R534-E536 PolarHBondContact NH2-OE2 3.44Å
537W97.5Very high95Very high22 Ų2248.5 Ų48.58%0.08327%0.266CS..EExtended strand (participates in β ladder)trans-101.6139171.5-69.985.6000110.4V468 A480 A494 M496 I497 L512 V514 E528 C529 Y530V468-W537 HydrophobicContact CG1-CH2 3.91Å; V468-W537 HydrophobicContact CG1-CZ2 3.98Å; A480-W537 HydrophobicContact CB-CZ2 4.48Å; A494-W537 PolarHBondContact O-NE1 3.03Å; M496-W537 HydrophobicContact CB-CD2 4.38Å; M496-W537 HydrophobicContact CG-CD2 3.82Å; M496-W537 HydrophobicContact CG-CE3 3.95Å; M496-W537 HydrophobicContact CG-CH2 3.71Å; M496-W537 HydrophobicContact CG-CZ2 3.57Å; M496-W537 HydrophobicContact CG-CZ3 3.91Å; M496-W537 HydrophobicContact SD-CH2 4.21Å; M496-W537 HydrophobicContact SD-CZ3 4.43Å; I497-W537 HydrophobicContact CG1-CB 4.24Å; L512-W537 HydrophobicContact CD2-CH2 3.53Å; L512-W537 HydrophobicContact CD2-CZ3 3.95Å; V514-W537 HydrophobicContact CB-CZ3 4.35Å; V514-W537 HydrophobicContact CG1-CH2 3.73Å; V514-W537 HydrophobicContact CG1-CZ3 3.78Å; V514-W537 HydrophobicContact CG2-CE3 4.36Å; V514-W537 HydrophobicContact CG2-CH2 4.34Å; V514-W537 HydrophobicContact CG2-CZ3 3.65Å; E528-W537 HydrophobicContact CB-CE3 3.87Å; E528-W537 HydrophobicContact CB-CZ3 4.36Å; C529-W537 CarbonylContact O-C 3.54Å; C529-W537 WeakPolarHBondContact O-CA 3.35Å; Y530-W537 AromaticContact CD2-CD1 3.68Å; Y530-W537 AromaticContact CD2-CD2 3.97Å; Y530-W537 HydrophobicContact CD2-CD2 3.97Å; Y530-W537 AromaticContact CD2-CE2 3.62Å; Y530-W537 HydrophobicContact CD2-CG 4.02Å; Y530-W537 HydrophobicContact CD2-CZ2 4.19Å; Y530-W537 AromaticContact CD2-NE1 3.42Å; Y530-W537 AromaticContact CE2-NE1 3.99Å; Y530-W537 HydrophobicContact CG-CD2 4.25Å; Y530-W537 AromaticContact CG-CE2 3.91Å; Y530-W537 HydrophobicContact CG-CH2 4.48Å; Y530-W537 HydrophobicContact CG-CZ2 4.06Å
538L95.8Very high95Very high88 Ų8848.8 Ų48.846%0.46127%0.268SS..EExtended strand (participates in β ladder)trans-124.7138178.2-60.1171.6000109.5E528 C529E528-L538 CarbonylContact C-O 3.55Å; E528-L538 VanDerWaalsContact CA-O 3.25Å; E528-L538 WeakPolarHBondContact CA-O 3.46Å; C529-L538 PolarHBondContact N-O 2.88Å; C529-L538 PolarHBondContact O-N 3.49Å
539E94.8Very high95Very high115 Ų11549 Ų4954%0.53727%0.27SS..EExtended strand (participates in β ladder)trans-77.3132.2170.4-172.6171.9-158.800109.5I497 H526I497-E539 HydrophobicContact CD1-CB 4.07Å; H526-E539 IonicContact CE1-OE1 2.88Å; H526-E539 IonicContact CG-OE1 3.27Å; H526-E539 IonicContact ND1-OE1 3.78Å; H526-E539 PolarHBondContact ND1-OE1 3.49Å
540V94.3Very high95Very high23 Ų2349 Ų4914%0.13927%0.269CS..EExtended strand (participates in β ladder)trans-119.6177.3176.4-59.20000109.7Y294 F513 V527 C529 G542Y294-V540 WeakPolarHBondContact OH-CB 3.27Å; F513-V540 HydrophobicContact CD1-CG2 4.44Å; F513-V540 HydrophobicContact CE1-CG2 4.31Å; V527-V540 HydrophobicContact CB-CG2 3.68Å; V527-V540 HydrophobicContact CG1-CG2 3.4Å; V527-V540 VanDerWaalsContact CG1-CG2 3.4Å; V527-V540 PolarHBondContact O-N 3.14Å; C529-V540 HydrophobicContact CB-CG1 4.24Å; V540-G542 PolarHBondContact O-N 2.82Å
541C92.6Very high95Very high34 Ų3449.6 Ų49.623%0.2327%0.274CS..PPolyproline II helixtrans-54.7125.1-179.4-173.50000111.5Y294 D299 W301Y294-C541 HydrophobicContact CE2-CB 4.3Å; D299-C541 WeakPolarHBondContact O-CB 3.3Å; D299-C541 PolarHBondContact O-SG 2.98Å; D299-C541 WeakPolarHBondContact OD1-CB 3.2Å; D299-C541 PolarHBondContact OD1-N 3.5Å; W301-C541 PolarHBondContact NE1-O 3.08Å
542G94.4Very high95.2Very high22 Ų2248.1 Ų48.123%0.22727%0.267CS..PPolyproline II helixtrans-73.6156179.800000112.3Y525 V540Y525-G542 CarbonylContact O-C 3.57Å; Y525-G542 VanDerWaalsContact O-CA 3.26Å; Y525-G542 WeakPolarHBondContact O-CA 2.93Å; V540-G542 PolarHBondContact O-N 2.82Å
543M95.8Very high95.5Very high4 Ų446.7 Ų46.72%0.0226%0.255CS..PPolyproline II helixtrans-61.3156.7172.7-63.9-177.2-64.600111.2A278 W301 V515 G516 Y525 V527 I545 R547A278-M543 HydrophobicContact CB-SD 3.98Å; W301-M543 HydrophobicContact CD2-CG 4.03Å; W301-M543 HydrophobicContact CE3-CG 4.33Å; W301-M543 HydrophobicContact CH2-CG 4.03Å; W301-M543 HydrophobicContact CH2-SD 4.47Å; W301-M543 HydrophobicContact CZ2-CG 3.72Å; W301-M543 HydrophobicContact CZ3-CG 4.32Å; V515-M543 HydrophobicContact CG1-CE 3.81Å; V515-M543 HydrophobicContact CG1-CG 3.97Å; V515-M543 HydrophobicContact CG1-SD 3.2Å; V515-M543 WeakPolarHBondContact CG1-SD 3.48Å; G516-M543 VanDerWaalsContact CA-CE 3.43Å; Y525-M543 WeakPolarHBondContact CD2-O 3Å; Y525-M543 PolarHBondContact O-N 3.07Å; V527-M543 HydrophobicContact CG2-CG 4.06Å; M543-I545 VanDerWaalsContact C-N 3.31Å; M543-R547 HydrophobicContact CE-CG 3.87Å; M543-R547 HydrophobicContact SD-CG 4.44Å; M543-R547 PolarHBondContact SD-NH2 2.67Å
544G93.8Very high95.8Very high60 Ų6042.4 Ų42.462%0.61923%0.229SC*.SBendtrans-73.2-24.9168.800000112.9E292E292-G544 VanDerWaalsContact OE1-CA 3.26Å; E292-G544 WeakPolarHBondContact OE1-CA 3.35Å; E292-G544 PolarHBondContact OE1-N 2.88Å
545I93.9Very high96Very high36 Ų3635.1 Ų35.119%0.18520%0.201CC..SBendtrans-107.3129.6-179.2-55.6175.3000110.7E292 M543 R547E292-I545 HydrophobicContact CG-CD1 4.44Å; E292-I545 PolarHBondContact OE1-N 2.89Å; E292-I545 WeakPolarHBondContact OE2-CB 3.2Å; E292-I545 WeakPolarHBondContact OE2-CG1 3.32Å; E292-I545 PolarHBondContact OE2-N 2.81Å; M543-I545 VanDerWaalsContact C-N 3.31Å; I545-R547 VanDerWaalsContact CB-NH1 3.33Å; I545-R547 HydrophobicContact CG2-CB 4.31Å; I545-R547 HydrophobicContact CG2-CG 4.26Å; I545-R547 PolarHBondContact O-N 3.07Å
546F95.6Very high95.9Very high99 Ų9933.3 Ų33.343%0.43420%0.197SC..  trans-79109.4172-62.5-112.9000108.8S283 T523 Y525S283-F546 WeakPolarHBondContact CB-O 3.11Å; S283-F546 PolarHBondContact OG-O 2.66Å; T523-F546 PolarHBondContact OG1-O 2.7Å; Y525-F546 AromaticContact CD1-CD1 3.34Å; Y525-F546 HydrophobicContact CD1-CD1 3.34Å; Y525-F546 AromaticContact CD1-CE1 2.96Å; Y525-F546 HydrophobicContact CD1-CE1 2.96Å; Y525-F546 HydrophobicContact CD1-CE2 4.21Å; Y525-F546 HydrophobicContact CD1-CG 4.12Å; Y525-F546 AromaticContact CD1-CZ 3.44Å; Y525-F546 HydrophobicContact CD1-CZ 3.44Å; Y525-F546 VanDerWaalsContact CD1-CZ 3.44Å; Y525-F546 HydrophobicContact CE1-CD1 4.07Å; Y525-F546 AromaticContact CE1-CE1 3.24Å; Y525-F546 HydrophobicContact CE1-CE1 3.24Å; Y525-F546 AromaticContact CE1-CZ 3.59Å; Y525-F546 HydrophobicContact CE1-CZ 3.59Å; Y525-F546 HydrophobicContact CG-CD1 4.07Å; Y525-F546 AromaticContact CG-CE1 3.87Å; Y525-F546 HydrophobicContact CG-CE1 3.87Å; Y525-F546 HydrophobicContact CG-CE2 4.37Å; Y525-F546 HydrophobicContact CG-CG 4.44Å; Y525-F546 AromaticContact CG-CZ 3.98Å; Y525-F546 HydrophobicContact CG-CZ 3.98Å
547R96.6Very high95.4Very high0 Ų032.8 Ų32.80%021%0.214CC..  trans-148.8143.1-176.953.8171.2177.8-99.1-11114.5A278 G280 W282 E292 G517 S524 M543 I545 V550A278-R547 PolarHBondContact O-NH2 3.36Å; G280-R547 WeakPolarHBondContact O-CD 3.41Å; W282-R547 WeakPolarHBondContact O-CA 3.36Å; W282-R547 WeakPolarHBondContact O-CB 3.12Å; E292-R547 IonicContact OE2-CZ 3.89Å; E292-R547 IonicContact OE2-NH1 2.72Å; E292-R547 PolarHBondContact OE2-NH1 3.33Å; E292-R547 IonicContact OE2-NH2 2.66Å; E292-R547 PolarHBondContact OE2-NH2 2.74Å; G517-R547 PolarHBondContact N-O 3.46Å; S524-R547 PolarHBondContact O-N 2.97Å; S524-R547 VanDerWaalsContact O-N 3.09Å; M543-R547 HydrophobicContact CE-CG 3.87Å; M543-R547 HydrophobicContact SD-CG 4.44Å; M543-R547 PolarHBondContact SD-NH2 2.67Å; I545-R547 VanDerWaalsContact CB-NH1 3.33Å; I545-R547 HydrophobicContact CG2-CB 4.31Å; I545-R547 HydrophobicContact CG2-CG 4.26Å; I545-R547 PolarHBondContact O-N 3.07Å; R547-V550 HydrophobicContact CG-CB 4.2Å; R547-V550 HydrophobicContact CG-CG2 4.47Å; R547-V550 VanDerWaalsContact NE-CG2 3.27Å
548S97.4Very high95Very high7 Ų732.2 Ų32.25%0.04921%0.212CC..BIsolated β-bridgetrans-103.4-178.6162.465.20000109.9G281 W282 N502 V550G281-S548 CarbonylContact C-O 3.49Å; G281-S548 VanDerWaalsContact CA-O 3.27Å; G281-S548 WeakPolarHBondContact CA-O 3.46Å; W282-S548 PolarHBondContact N-O 2.71Å; W282-S548 PolarHBondContact O-N 3.04Å; N502-S548 CarbonylContact O-C 3.47Å; S548-V550 PolarHBondContact O-N 2.61Å
549A97.1Very high94.6Very high6 Ų633 Ų335%0.0522%0.223CC..SBendtrans53.322.8178.600000113.9G281 W282 A313 Y314 N502G281-A549 VanDerWaalsContact CA-O 3.29Å; G281-A549 WeakPolarHBondContact CA-O 3.48Å; W282-A549 HydrophobicContact CB-CB 4.26Å; A313-A549 HydrophobicContact CB-CB 3.99Å; Y314-A549 HydrophobicContact CD1-CB 3.31Å; Y314-A549 HydrophobicContact CD2-CB 4.21Å; Y314-A549 HydrophobicContact CE1-CB 3.29Å; Y314-A549 HydrophobicContact CE2-CB 4.19Å; Y314-A549 HydrophobicContact CG-CB 3.81Å; Y314-A549 PolarHBondContact N-O 2.9Å; N502-A549 PolarHBondContact O-N 3.44Å
550V96.9Very high94.2Very high7 Ų728.3 Ų28.34%0.04220%0.201CC..  trans-79.3138.4-179.659.20000108.3A278 G504 V515 R547 S548A278-V550 HydrophobicContact CB-CG2 3.94Å; G504-V550 WeakPolarHBondContact CA-O 3.13Å; G504-V550 PolarHBondContact N-O 2.91Å; V515-V550 VanDerWaalsContact O-CG1 3.26Å; V515-V550 WeakPolarHBondContact O-CG1 3.41Å; R547-V550 HydrophobicContact CG-CB 4.2Å; R547-V550 HydrophobicContact CG-CG2 4.47Å; R547-V550 VanDerWaalsContact NE-CG2 3.27Å; S548-V550 PolarHBondContact O-N 2.61Å
551S97.3Very high94Very high17 Ų1728.1 Ų28.112%0.11920%0.199CC..EExtended strand (participates in β ladder)trans-104.6142.4173-169.30000109.7I279 H315 T317I279-S551 PolarHBondContact N-O 3.16Å; I279-S551 PolarHBondContact O-N 2.84Å; H315-S551 WeakPolarHBondContact O-CB 3.26Å; T317-S551 WeakPolarHBondContact CB-OG 3.31Å; T317-S551 PolarHBondContact N-OG 3.23Å; T317-S551 VanDerWaalsContact OG1-CB 3.32Å; T317-S551 WeakPolarHBondContact OG1-CB 3.36Å; T317-S551 PolarHBondContact OG1-OG 2.91Å
552C97.9Very high93.7Very high7 Ų729.8 Ų29.85%0.04721%0.209CC..EExtended strand (participates in β ladder)trans-114.6150.7177.4-76.90000111L276 L277 T317 E506L276-C552 HydrophobicContact CD1-CB 3.87Å; L277-C552 WeakPolarHBondContact O-CA 3.26Å; T317-C552 VanDerWaalsContact OG1-C 3.29Å; T317-C552 PolarHBondContact OG1-O 3.1Å; E506-C552 HydrophobicContact CB-CB 4.12Å
553C97.5Very high93.4Very high1 Ų135.1 Ų35.11%0.00723%0.228CC..EExtended strand (participates in β ladder)trans-155.2161.7166.263.90000109.3L277L277-C553 PolarHBondContact N-O 2.76Å; L277-C553 PolarHBondContact O-N 3.09Å
554V97.6Very high93.2Very high31 Ų3135.6 Ų35.619%0.18823%0.23CC..EExtended strand (participates in β ladder)trans-109.3123178.9173.90000110.6I275 L276 F319 E506 V508I275-V554 WeakPolarHBondContact O-CA 3.42Å; L276-V554 HydrophobicContact CD1-CG2 4.23Å; F319-V554 WeakPolarHBondContact CB-O 3.16Å; F319-V554 VanDerWaalsContact CD1-O 3.29Å; F319-V554 WeakPolarHBondContact CD1-O 3.48Å; F319-V554 WeakPolarHBondContact CG-O 3.48Å; E506-V554 HydrophobicContact CB-CG2 4.47Å; E506-V554 HydrophobicContact CG-CB 4.4Å; E506-V554 HydrophobicContact CG-CG2 3.38Å; V508-V554 HydrophobicContact CG2-CG2 3.31Å
555I96.3Very high92.9Very high0 Ų033 Ų330%020%0.202CC..EExtended strand (participates in β ladder)trans-90.1137.8167.763.3175000108.9G274 I275 L277 F319 V324 L558 M561 Y564G274-I555 CarbonylContact C-O 3.52Å; G274-I555 VanDerWaalsContact CA-O 3.24Å; G274-I555 WeakPolarHBondContact CA-O 3.47Å; I275-I555 HydrophobicContact CB-CD1 4.24Å; I275-I555 HydrophobicContact CB-CG1 3.8Å; I275-I555 HydrophobicContact CG2-CD1 4.44Å; I275-I555 HydrophobicContact CG2-CG1 4.36Å; I275-I555 PolarHBondContact N-O 3.41Å; I275-I555 PolarHBondContact O-N 3.37Å; L277-I555 HydrophobicContact CD1-CD1 4.23Å; L277-I555 HydrophobicContact CD1-CG1 4.45Å; L277-I555 HydrophobicContact CD1-CG2 3.55Å; L277-I555 HydrophobicContact CD2-CD1 4.13Å; L277-I555 HydrophobicContact CG-CD1 4.31Å; L277-I555 HydrophobicContact CG-CG1 4.32Å; L277-I555 HydrophobicContact CG-CG2 4.13Å; F319-I555 HydrophobicContact CD2-CB 4.28Å; F319-I555 HydrophobicContact CD2-CG2 3.68Å; F319-I555 HydrophobicContact CE2-CB 4.14Å; F319-I555 HydrophobicContact CE2-CG2 3.9Å; F319-I555 HydrophobicContact CG-CG2 4.21Å; F319-I555 HydrophobicContact CZ-CB 4.4Å; V324-I555 HydrophobicContact CG2-CG2 3.68Å; I555-L558 HydrophobicContact CB-CD1 4.04Å; I555-L558 HydrophobicContact CD1-CD1 4.12Å; I555-L558 HydrophobicContact CG1-CD1 4.49Å; I555-M561 HydrophobicContact CD1-SD 4.33Å; I555-M561 HydrophobicContact CG1-SD 4.2Å; I555-Y564 HydrophobicContact CD1-CD1 3.8Å; I555-Y564 HydrophobicContact CD1-CD2 3.89Å; I555-Y564 HydrophobicContact CD1-CE1 4.11Å; I555-Y564 HydrophobicContact CD1-CE2 4.2Å; I555-Y564 HydrophobicContact CD1-CG 3.68Å
556A93.3Very high92.3Very high37 Ų3732.1 Ų32.131%0.30620%0.197SC..EExtended strand (participates in β ladder)trans-150.8155.6179.500000110.3T273 F319 L558T273-A556 WeakPolarHBondContact O-CB 3.4Å; F319-A556 WeakPolarHBondContact CE1-O 3.44Å; A556-L558 VanDerWaalsContact C-N 3.25Å; A556-L558 PolarHBondContact O-N 3.49Å
557G87.4Confident91.4Very high72 Ų7231 Ų3174%0.74220%0.201SC*.SBendtrans70.115.3174.400000115.5
558L89.2Confident90.3Very high11 Ų1132.1 Ų32.16%0.05821%0.205CC..  trans-83.1147.4176.6-59.2175.6000111.2F319 N322 P344 I345 I555 A556 N560 M561F319-L558 HydrophobicContact CE2-CD1 4.4Å; F319-L558 HydrophobicContact CE2-CD2 4.3Å; F319-L558 HydrophobicContact CZ-CD1 4.48Å; F319-L558 HydrophobicContact CZ-CD2 3.99Å; F319-L558 HydrophobicContact CZ-CG 4.21Å; N322-L558 HydrophobicContact CB-CD2 3.78Å; P344-L558 HydrophobicContact CB-CD1 3.7Å; P344-L558 HydrophobicContact CG-CD1 3.42Å; P344-L558 VanDerWaalsContact CG-CD1 3.42Å; P344-L558 HydrophobicContact CG-CD2 4.11Å; P344-L558 HydrophobicContact CG-CG 4.42Å; I345-L558 HydrophobicContact CD1-CD2 4.28Å; I345-L558 HydrophobicContact CG1-CD2 4.24Å; I555-L558 HydrophobicContact CB-CD1 4.04Å; I555-L558 HydrophobicContact CD1-CD1 4.12Å; I555-L558 HydrophobicContact CG1-CD1 4.49Å; A556-L558 VanDerWaalsContact C-N 3.25Å; A556-L558 PolarHBondContact O-N 3.49Å; L558-N560 VanDerWaalsContact C-N 3.3Å; L558-N560 PolarHBondContact O-N 2.77Å; L558-M561 HydrophobicContact CB-CG 3.99Å; L558-M561 HydrophobicContact CB-SD 4.07Å; L558-M561 HydrophobicContact CD1-SD 4.46Å; L558-M561 HydrophobicContact CG-SD 4.46Å; L558-M561 WeakPolarHBondContact O-CG 3.5Å
559P86.1Confident88.8Confident104 Ų10438.3 Ų38.368%0.67524%0.237SC*.THydrogen-bonded Turntrans-70.2-27.1177.628-34.4000112.9I345I345-P559 HydrophobicContact CD1-CG 3.99Å; I345-P559 HydrophobicContact CG1-CG 4.34Å
560N87.8Confident86.5Confident16 Ų1641.5 Ų41.59%0.08626%0.263CS..THydrogen-bonded Turntrans-101.625.1-178.270.2-38.8000113.5P344 L558 P562 E563P344-N560 PolarHBondContact O-ND2 3.02Å; L558-N560 VanDerWaalsContact C-N 3.3Å; L558-N560 PolarHBondContact O-N 2.77Å; N560-P562 VanDerWaalsContact O-N 3.12Å; N560-E563 HydrophobicContact CB-CG 4.25Å; N560-E563 PolarHBondContact ND2-OE2 2.81Å; N560-E563 WeakPolarHBondContact O-CB 3.46Å; N560-E563 PolarHBondContact O-N 3.41Å
561M88.8Confident84.1Confident20 Ų2045.3 Ų45.310%0.09928%0.283CS..G310 helixtrans-48.7-35.1173.4-71.1-70.4-76.400114.2I275 I555 L558 E563 Y564I275-M561 HydrophobicContact CB-CE 4.09Å; I275-M561 HydrophobicContact CD1-CB 4.46Å; I275-M561 HydrophobicContact CD1-CE 3.42Å; I275-M561 VanDerWaalsContact CD1-CE 3.42Å; I275-M561 HydrophobicContact CD1-SD 3.95Å; I275-M561 HydrophobicContact CG1-CE 3.48Å; I275-M561 VanDerWaalsContact CG1-CE 3.48Å; I275-M561 HydrophobicContact CG1-SD 4.5Å; I555-M561 HydrophobicContact CD1-SD 4.33Å; I555-M561 HydrophobicContact CG1-SD 4.2Å; L558-M561 HydrophobicContact CB-CG 3.99Å; L558-M561 HydrophobicContact CB-SD 4.07Å; L558-M561 HydrophobicContact CD1-SD 4.46Å; L558-M561 HydrophobicContact CG-SD 4.46Å; L558-M561 WeakPolarHBondContact O-CG 3.5Å; M561-E563 PolarHBondContact O-N 3.1Å; M561-E563 VanDerWaalsContact O-N 3.16Å; M561-Y564 PolarHBondContact O-N 2.9Å
562P87.4Confident81.2Confident68 Ų6849.5 Ų49.544%0.44231%0.31SS..G310 helixtrans-59.3-21.8175.6-28.137.6000115.6L271 N560 Y564 V565L271-P562 HydrophobicContact CD1-CG 4.15Å; N560-P562 VanDerWaalsContact O-N 3.12Å; P562-Y564 PolarHBondContact O-N 2.84Å; P562-V565 VanDerWaalsContact O-CG2 3.3Å; P562-V565 WeakPolarHBondContact O-CG2 3.34Å
563E88.6Confident78.2Confident134 Ų13457.9 Ų57.963%0.62635%0.353SS*.G310 helixtrans-75-19.2176.2-62.6177175.800112.4N560 M561N560-E563 HydrophobicContact CB-CG 4.25Å; N560-E563 PolarHBondContact ND2-OE2 2.81Å; N560-E563 WeakPolarHBondContact O-CB 3.46Å; N560-E563 PolarHBondContact O-N 3.41Å; M561-E563 PolarHBondContact O-N 3.1Å; M561-E563 VanDerWaalsContact O-N 3.16Å
564Y89.9Confident75Confident14 Ų1469 Ų696%0.05541%0.412CS..G310 helixtrans-98.24.9-178.7-68.2-82.9000113.2L277 A293 I302 V304 P344 I555 M561 P562L277-Y564 HydrophobicContact CD2-CD1 4.35Å; A293-Y564 HydrophobicContact CB-CD1 4.24Å; I302-Y564 VanDerWaalsContact CD1-O 3.26Å; I302-Y564 WeakPolarHBondContact CD1-O 3.44Å; V304-Y564 HydrophobicContact CB-CD1 4.32Å; V304-Y564 HydrophobicContact CB-CE1 4.31Å; V304-Y564 HydrophobicContact CG1-CD1 3.99Å; V304-Y564 HydrophobicContact CG1-CE1 4.41Å; V304-Y564 HydrophobicContact CG2-CD1 4.16Å; V304-Y564 HydrophobicContact CG2-CE1 4.2Å; P344-Y564 VanDerWaalsContact C-OH 3.28Å; P344-Y564 WeakPolarHBondContact CA-OH 3.34Å; P344-Y564 HydrophobicContact CB-CE2 4.27Å; P344-Y564 WeakPolarHBondContact CB-OH 3.45Å; P344-Y564 PolarHBondContact O-OH 3.28Å; I555-Y564 HydrophobicContact CD1-CD1 3.8Å; I555-Y564 HydrophobicContact CD1-CD2 3.89Å; I555-Y564 HydrophobicContact CD1-CE1 4.11Å; I555-Y564 HydrophobicContact CD1-CE2 4.2Å; I555-Y564 HydrophobicContact CD1-CG 3.68Å; M561-Y564 PolarHBondContact O-N 2.9Å; P562-Y564 PolarHBondContact O-N 2.84Å
565V88Confident73.9Confident5 Ų571 Ų713%0.0342%0.423CS..SBendtrans-116.7166.9172.4-56.70000110.3L271 P272 I275 D295 P562L271-V565 HydrophobicContact CD2-CB 4.45Å; L271-V565 HydrophobicContact CD2-CG1 4.1Å; L271-V565 HydrophobicContact CD2-CG2 3.64Å; P272-V565 HydrophobicContact CG-CG1 4.03Å; I275-V565 HydrophobicContact CD1-CG1 3.67Å; I275-V565 HydrophobicContact CG1-CG1 4.34Å; D295-V565 HydrophobicContact CB-CB 4.31Å; D295-V565 HydrophobicContact CB-CG1 4.11Å; D295-V565 WeakPolarHBondContact OD2-CB 3.17Å; D295-V565 WeakPolarHBondContact OD2-CG1 3.45Å; P562-V565 VanDerWaalsContact O-CG2 3.3Å; P562-V565 WeakPolarHBondContact O-CG2 3.34Å
566I81.8Confident72.7Confident18 Ų1874.7 Ų74.79%0.09245%0.445CS..  trans-60.6136.7178.6-167.7164.1000112.2L259 V262 A298 I302 R568L259-I566 HydrophobicContact CD2-CD1 3.01Å; L259-I566 HydrophobicContact CD2-CG1 4.41Å; V262-I566 HydrophobicContact CB-CG2 4.46Å; V262-I566 HydrophobicContact CG1-CG2 3.83Å; V262-I566 HydrophobicContact CG2-CG2 3.95Å; A298-I566 HydrophobicContact CB-CG2 4.37Å; I302-I566 HydrophobicContact CG2-CB 3.98Å; I302-I566 HydrophobicContact CG2-CG1 4.39Å; I566-R568 VanDerWaalsContact O-CG 3.3Å; I566-R568 WeakPolarHBondContact O-CG 3.39Å; I566-R568 PolarHBondContact O-N 2.82Å
567P76.3Confident71.6Confident77 Ų7776.8 Ų76.850%0.545%0.453SS..  trans-56.6123178.2-26.935.2000111.3A570P567-A570 HydrophobicContact CB-CB 3.94Å
568R72.9Confident70.6Confident23 Ų2377.1 Ų77.19%0.08744%0.436CS..SBendtrans-89.1-28.3-170.9-57.2-177.2172.1-138.5-13113.1D178 V262 R268 P269 R270 L271 D295 I566D178-R568 IonicContact OD1-NH1 3.85Å; D178-R568 WeakPolarHBondContact OD2-CD 3.31Å; D178-R568 IonicContact OD2-CZ 3.73Å; D178-R568 IonicContact OD2-NE 2.91Å; D178-R568 IonicContact OD2-NH1 3.99Å; D178-R568 PolarHBondContact OD2-NH1 2.76Å; V262-R568 HydrophobicContact CG1-CB 4.27Å; V262-R568 HydrophobicContact CG1-CG 3.97Å; R268-R568 PolarHBondContact NH2-O 2.85Å; P269-R568 PolarHBondContact O-NH1 2.85Å; P269-R568 PolarHBondContact O-NH2 2.65Å; R270-R568 PolarHBondContact O-NH2 3.07Å; L271-R568 VanDerWaalsContact CD2-CZ 3.43Å; D295-R568 IonicContact OD2-NH2 2.69Å; D295-R568 PolarHBondContact OD2-NH2 2.89Å; I566-R568 VanDerWaalsContact O-CG 3.3Å; I566-R568 WeakPolarHBondContact O-CG 3.39Å; I566-R568 PolarHBondContact O-N 2.82Å
569D66.3Low69.5Low136 Ų13681.2 Ų81.273%0.72746%0.459SS*.SBendtrans-116.62.4-173-54.8-39.6000113.8R268R268-D569 IonicContact CZ-OD1 2.71Å; R268-D569 IonicContact NH1-OD1 2.81Å; R268-D569 PolarHBondContact NH1-OD1 3.13Å; R268-D569 IonicContact NH2-OD1 3.52Å; R268-D569 PolarHBondContact NH2-OD1 2.94Å
570A50.1Low68.4Low73 Ų7379.7 Ų79.760%0.60345%0.445SS*.  trans-111.411.4-165.500000116.1P567P567-A570 HydrophobicContact CB-CB 3.94Å
571L44.6Very low67Low88 Ų8884.2 Ų84.246%0.46147%0.471SS..  trans-95.1119.1171.6-74166.9000109.3L573L571-L573 PolarHBondContact O-N 3.49Å
572P37.2Very low65.3Low104 Ų10489.2 Ų89.268%0.67550%0.499SS*.  trans-55.5132.1165.4-14.527000107.5L574P572-L574 VanDerWaalsContact C-N 3.34Å; P572-L574 PolarHBondContact O-N 3Å
573L35.1Very low63.5Low183 Ų18390.9 Ų90.996%0.95850%0.504SS*.  trans-49.4102.5164.6-73.5152.9000107.4L571L571-L573 PolarHBondContact O-N 3.49Å
574L30.7Very low61.2Low236 Ų23687 Ų87100%1.23649%0.493SS*.  trans-87.40171.6-90.2166.2000109.4P572P572-L574 VanDerWaalsContact C-N 3.34Å; P572-L574 PolarHBondContact O-N 3Å

Retrieved 574 of 574 residues in 453.6 ms (Link to these results)

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