A0A077Z2U4_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z2U4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 153 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
1M42.9Very low39.5Very low249 Ų249132.6 Ų132.6100%1.22786%0.856SS**  0108.20-77.8-177.2-89.400107.8
2G38.3Very low39.9Very low85 Ų85129.2 Ų129.288%0.87683%0.831SS**  trans-90.9132.5176.900000110.2
3A40Very low40Very low97 Ų97124.2 Ų124.280%0.80279%0.793SS**  trans-137.895.9159.600000106.8A5A3-A5 PolarHBondContact O-N 3.46Å
4C40.5Very low39.9Very low129 Ų129126.1 Ų126.187%0.87279%0.787SS**  trans-58.3111.8163.2-810000108.3S6C4-S6 PolarHBondContact O-N 3.32Å
5A42.1Very low39.7Very low110 Ų110133.3 Ų133.391%0.90979%0.793SS**  trans-73.894.1165.300000108.2A3A3-A5 PolarHBondContact O-N 3.46Å
6S38.1Very low40.3Very low110 Ų110128.1 Ų128.177%0.76977%0.765SS**  trans-90.1134.8171.8-153.50000110.3C4C4-S6 PolarHBondContact O-N 3.32Å
7A41.3Very low41.2Very low86 Ų86122.1 Ų122.171%0.71173%0.728SS**  trans63.788.3152.600000119.7
8K35.1Very low42.2Very low208 Ų208121.1 Ų121.190%0.90473%0.728SS**  trans-141.865147.1-74.2-166.6-178.7-178.30111.7
9T39.1Very low43.9Very low134 Ų134119.1 Ų119.182%0.82272%0.72SS**SBendtrans-132.9-2.9172.5-37.10000114.2
10Q43.8Very low45.9Very low189 Ų189118.2 Ų118.288%0.88370%0.703SS**SBendtrans-88.7-9.9178.2-75.3-174.4-35.700115
11G33.1Very low47.9Very low62 Ų62114.2 Ų114.264%0.63968%0.681SS**SBendtrans-9711.6-164.600000118.7
12T44.6Very low50.2Low91 Ų91107 Ų10756%0.55865%0.647SS**SBendtrans-136.7-17.5-169.1-37.30000115.7E14 K118T12-E14 PolarHBondContact O-N 3.37Å; T12-K118 HydrophobicContact CG2-CD 4.19Å; T12-K118 WeakPolarHBondContact O-CE 3.46Å; T12-K118 PolarHBondContact O-NZ 3.12Å
13L40.8Very low52.9Low65 Ų65106.4 Ų106.434%0.3462%0.622SS.*G310 helixtrans-69.3-16172.4-95.3150000112.8R15 I17 L131 I135L13-R15 PolarHBondContact O-N 3.11Å; L13-I17 WeakPolarHBondContact O-CD1 3.27Å; L13-L131 HydrophobicContact CD1-CD2 4.39Å; L13-I135 HydrophobicContact CD1-CD1 4.45Å; L13-I135 HydrophobicContact CD2-CD1 4.32Å
14E38.5Very low55.6Low150 Ų150108.7 Ų108.770%0.70162%0.616SS**G310 helixtrans-69.3-32-174.9-68.3-172.4152.100114.6T12 S16 I17T12-E14 PolarHBondContact O-N 3.37Å; E14-S16 VanDerWaalsContact C-N 3.34Å; E14-S16 PolarHBondContact O-N 3.16Å; E14-I17 PolarHBondContact O-N 2.89Å
15R38.2Very low58.2Low235 Ų235105.7 Ų105.789%0.88759%0.586SS**G310 helixtrans-74.4-12.9-163.5-107.3-175.9-177.7176.90.7116.2L13L13-R15 PolarHBondContact O-N 3.11Å
16S48.9Very low60.8Low49 Ų49100.4 Ų100.434%0.34354%0.543SS..G310 helixtrans-112.94.2175.855.90000114.4E14 S116E14-S16 VanDerWaalsContact C-N 3.34Å; E14-S16 PolarHBondContact O-N 3.16Å; S16-S116 PolarHBondContact OG-O 3.05Å
17I55Low63.6Low27 Ų2796.5 Ų96.514%0.13851%0.513CS..SBendtrans-98.80.9177-49.8174.1000111.5L13 E14 S19 L132 I135 L136 K139L13-I17 WeakPolarHBondContact O-CD1 3.27Å; E14-I17 PolarHBondContact O-N 2.89Å; I17-S19 PolarHBondContact O-N 2.77Å; I17-L132 HydrophobicContact CD1-CD1 3.95Å; I17-L132 HydrophobicContact CG1-CD1 4.2Å; I17-I135 HydrophobicContact CD1-CG2 3.78Å; I17-L136 HydrophobicContact CG2-CD2 3.8Å; I17-K139 PolarHBondContact O-NZ 2.81Å
18S59.5Low66.3Low103 Ų10395.8 Ų95.872%0.7250%0.497SS*.SBendtrans-67.9-32.2-17455.80000113.3
19S74.7Confident69.3Low84 Ų8485.9 Ų85.959%0.58745%0.454SS*.SBendtrans-91.8132.3175.152.60000111I17I17-S19 PolarHBondContact O-N 2.77Å
20R84.2Confident72.1Confident100 Ų10079.5 Ų79.538%0.37742%0.415SS..PPolyproline II helixtrans-61.7143.7167.1-73.3175.6171.6-171.6-9.5109.7E143 D145R20-E143 IonicContact CZ-OE2 3.74Å; R20-E143 IonicContact NE-OE2 3.79Å; R20-E143 IonicContact NH2-OE2 2.86Å; R20-E143 PolarHBondContact NH2-OE2 2.84Å; R20-D145 IonicContact CZ-OD2 3.1Å; R20-D145 IonicContact NH1-OD2 2.65Å; R20-D145 PolarHBondContact NH1-OD2 3.05Å; R20-D145 IonicContact NH2-OD2 2.77Å; R20-D145 PolarHBondContact NH2-OD2 3.33Å
21P87.3Confident74.6Confident35 Ų3576.8 Ų76.823%0.22740%0.397CS..PPolyproline II helixtrans-61.4161.1172.728.4-36.5000110.9Q23 L26P21-Q23 PolarHBondContact O-N 2.93Å; P21-L26 HydrophobicContact CB-CD1 4.17Å; P21-L26 HydrophobicContact CB-CD2 4.47Å; P21-L26 HydrophobicContact CB-CG 4.37Å; P21-L26 HydrophobicContact CG-CD1 3.51Å; P21-L26 HydrophobicContact CG-CD2 4.45Å; P21-L26 HydrophobicContact CG-CG 4.23Å
22N92.1Very high77.7Confident99 Ų9979.7 Ų79.753%0.52939%0.392SS..  trans-58.8113173.4-180-28.2000109.8E24 R25 L26N22-E24 PolarHBondContact OD1-N 2.65Å; N22-E24 VanDerWaalsContact OD1-N 3.08Å; N22-R25 HydrophobicContact CB-CB 3.94Å; N22-R25 WeakPolarHBondContact O-CB 3.49Å; N22-R25 PolarHBondContact O-N 3.36Å; N22-R25 PolarHBondContact OD1-N 3.25Å; N22-R25 VanDerWaalsContact OD1-N 3.11Å; N22-L26 WeakPolarHBondContact O-CG 3.48Å; N22-L26 PolarHBondContact O-N 3Å; N22-L26 VanDerWaalsContact O-N 3.12Å
23Q94.5Very high80.1Confident71 Ų7178 Ų7833%0.33238%0.379SS..Hα-helixtrans-69.2-38.6-172.7-64.7-174-14.500112.5P21 R25 L26 I27 I147P21-Q23 PolarHBondContact O-N 2.93Å; Q23-R25 VanDerWaalsContact C-N 3.31Å; Q23-R25 PolarHBondContact O-N 2.7Å; Q23-L26 WeakPolarHBondContact O-CB 3.43Å; Q23-L26 PolarHBondContact O-N 2.99Å; Q23-I27 WeakPolarHBondContact O-CG1 3.44Å; Q23-I27 PolarHBondContact O-N 2.97Å; Q23-I147 HydrophobicContact CB-CD1 3.78Å; Q23-I147 HydrophobicContact CG-CD1 3.91Å; Q23-I147 HydrophobicContact CG-CG2 4.38Å
24E95.7Very high82.6Confident146 Ų14675.9 Ų75.968%0.68237%0.368SS*.Hα-helixtrans-61.9-43.1175.8-64.2179.1169.400110.5N22 L26 I27 D28N22-E24 PolarHBondContact OD1-N 2.65Å; N22-E24 VanDerWaalsContact OD1-N 3.08Å; E24-L26 VanDerWaalsContact C-N 3.32Å; E24-L26 PolarHBondContact O-N 3.35Å; E24-I27 PolarHBondContact O-N 3.45Å; E24-D28 PolarHBondContact O-N 3.48Å
25R95Very high85.2Confident65 Ų6575.3 Ų75.325%0.24536%0.363CS..Hα-helixtrans-58.7-43.4174.7176.257.2-179.8-175.3-3111.9N22 Q23 D28 V29 L94N22-R25 HydrophobicContact CB-CB 3.94Å; N22-R25 WeakPolarHBondContact O-CB 3.49Å; N22-R25 PolarHBondContact O-N 3.36Å; N22-R25 PolarHBondContact OD1-N 3.25Å; N22-R25 VanDerWaalsContact OD1-N 3.11Å; Q23-R25 VanDerWaalsContact C-N 3.31Å; Q23-R25 PolarHBondContact O-N 2.7Å; R25-D28 PolarHBondContact O-N 2.87Å; R25-V29 WeakPolarHBondContact O-CB 3.37Å; R25-V29 WeakPolarHBondContact O-CG2 3.25Å; R25-V29 PolarHBondContact O-N 3.46Å; R25-L94 PolarHBondContact NH2-O 3.29Å
26L97Very high87.6Confident0 Ų069.2 Ų69.20%035%0.353CS..Hα-helixtrans-62.6-43.7177.5-66.6177.4000111.8P21 N22 Q23 E24 D28 V29 Y30 L42 F109 P111 I147P21-L26 HydrophobicContact CB-CD1 4.17Å; P21-L26 HydrophobicContact CB-CD2 4.47Å; P21-L26 HydrophobicContact CB-CG 4.37Å; P21-L26 HydrophobicContact CG-CD1 3.51Å; P21-L26 HydrophobicContact CG-CD2 4.45Å; P21-L26 HydrophobicContact CG-CG 4.23Å; N22-L26 WeakPolarHBondContact O-CG 3.48Å; N22-L26 PolarHBondContact O-N 3Å; N22-L26 VanDerWaalsContact O-N 3.12Å; Q23-L26 WeakPolarHBondContact O-CB 3.43Å; Q23-L26 PolarHBondContact O-N 2.99Å; E24-L26 VanDerWaalsContact C-N 3.32Å; E24-L26 PolarHBondContact O-N 3.35Å; L26-D28 PolarHBondContact O-N 3.43Å; L26-V29 PolarHBondContact O-N 2.89Å; L26-Y30 WeakPolarHBondContact O-CD2 3.42Å; L26-Y30 PolarHBondContact O-N 3.3Å; L26-L42 HydrophobicContact CB-CD2 3.81Å; L26-F109 HydrophobicContact CD2-CD1 3.99Å; L26-P111 HydrophobicContact CD2-CG 4.17Å; L26-I147 HydrophobicContact CD1-CD1 4.18Å
27I98.1Very high89.5Confident27 Ų2770.1 Ų70.114%0.13836%0.359CS..Hα-helixtrans-60.1-47.9178.2-67.6167.1000110.2Q23 E24 V29 Y30 R31 L42 H148Q23-I27 WeakPolarHBondContact O-CG1 3.44Å; Q23-I27 PolarHBondContact O-N 2.97Å; E24-I27 PolarHBondContact O-N 3.45Å; I27-V29 VanDerWaalsContact C-N 3.32Å; I27-V29 PolarHBondContact O-N 2.96Å; I27-Y30 PolarHBondContact O-N 2.99Å; I27-R31 WeakPolarHBondContact O-CG 3.44Å; I27-R31 PolarHBondContact O-N 3.48Å; I27-L42 HydrophobicContact CG1-CD2 3.79Å; I27-H148 HydrophobicContact CD1-CB 3.95Å; I27-H148 HydrophobicContact CG1-CB 3.78Å
28D97.3Very high91.2Very high71 Ų7170.8 Ų70.838%0.3836%0.36SS..Hα-helixtrans-64.1-36.6-179.7-76.5-13.8000113E24 R25 L26 R31 K32E24-D28 PolarHBondContact O-N 3.48Å; R25-D28 PolarHBondContact O-N 2.87Å; L26-D28 PolarHBondContact O-N 3.43Å; D28-R31 IonicContact OD1-NH1 3.82Å; D28-K32 WeakPolarHBondContact O-CG 3.09Å; D28-K32 PolarHBondContact O-N 3.08Å
29V97.5Very high92.8Very high0 Ų066 Ų660%033%0.327CS..Hα-helixtrans-61.7-50.6173.5162.60000110.5R25 L26 I27 R31 K32 L33 L94 F109R25-V29 WeakPolarHBondContact O-CB 3.37Å; R25-V29 WeakPolarHBondContact O-CG2 3.25Å; R25-V29 PolarHBondContact O-N 3.46Å; L26-V29 PolarHBondContact O-N 2.89Å; I27-V29 VanDerWaalsContact C-N 3.32Å; I27-V29 PolarHBondContact O-N 2.96Å; V29-R31 VanDerWaalsContact C-N 3.34Å; V29-R31 PolarHBondContact O-N 3.28Å; V29-K32 WeakPolarHBondContact O-CB 3.21Å; V29-K32 PolarHBondContact O-N 2.84Å; V29-L33 HydrophobicContact CG1-CD1 3.67Å; V29-L33 HydrophobicContact CG1-CG 4.34Å; V29-L33 WeakPolarHBondContact O-CG 3.17Å; V29-L33 PolarHBondContact O-N 3.16Å; V29-L94 HydrophobicContact CG1-CD1 3.89Å; V29-L94 HydrophobicContact CG2-CD2 4.21Å; V29-F109 HydrophobicContact CB-CD1 4.12Å; V29-F109 HydrophobicContact CB-CE1 4.14Å; V29-F109 HydrophobicContact CB-CG 4.47Å; V29-F109 HydrophobicContact CG1-CB 4.19Å; V29-F109 HydrophobicContact CG1-CD1 3.64Å; V29-F109 HydrophobicContact CG1-CD2 3.66Å; V29-F109 HydrophobicContact CG1-CE1 3.84Å; V29-F109 HydrophobicContact CG1-CE2 3.86Å; V29-F109 HydrophobicContact CG1-CG 3.53Å; V29-F109 HydrophobicContact CG1-CZ 3.93Å; V29-F109 HydrophobicContact CG2-CD1 3.99Å; V29-F109 HydrophobicContact CG2-CE1 3.52Å; V29-F109 HydrophobicContact CG2-CZ 3.84Å
30Y97.8Very high93.9Very high1 Ų162.2 Ų62.20%0.00430%0.3CS..Hα-helixtrans-68.5-32.6-177.4-84.3-68.3000113.3L26 I27 K32 L33 I34 W40 L42 G46 A48 T107 F109L26-Y30 WeakPolarHBondContact O-CD2 3.42Å; L26-Y30 PolarHBondContact O-N 3.3Å; I27-Y30 PolarHBondContact O-N 2.99Å; Y30-K32 PolarHBondContact O-N 3.43Å; Y30-L33 HydrophobicContact CD1-CD1 4.33Å; Y30-L33 HydrophobicContact CE1-CD1 4.41Å; Y30-L33 PolarHBondContact O-N 3Å; Y30-I34 HydrophobicContact CD1-CD1 3.63Å; Y30-I34 HydrophobicContact CD1-CG1 4.28Å; Y30-I34 HydrophobicContact CE1-CD1 4.5Å; Y30-I34 HydrophobicContact CG-CD1 4.33Å; Y30-I34 WeakPolarHBondContact O-CB 3.26Å; Y30-I34 PolarHBondContact O-N 3.15Å; Y30-W40 VanDerWaalsContact CB-CH2 3.5Å; Y30-W40 HydrophobicContact CG-CZ3 4.24Å; Y30-L42 HydrophobicContact CD2-CD1 3.57Å; Y30-L42 HydrophobicContact CD2-CD2 4.06Å; Y30-L42 HydrophobicContact CD2-CG 4.37Å; Y30-L42 HydrophobicContact CE2-CD1 3.42Å; Y30-L42 VanDerWaalsContact CE2-CD1 3.42Å; Y30-G46 WeakPolarHBondContact CE2-O 3.44Å; Y30-G46 PolarHBondContact OH-O 2.76Å; Y30-A48 HydrophobicContact CD1-CB 3.64Å; Y30-A48 HydrophobicContact CD2-CB 4.14Å; Y30-A48 HydrophobicContact CE1-CB 3.24Å; Y30-A48 HydrophobicContact CE2-CB 3.79Å; Y30-A48 HydrophobicContact CG-CB 4.05Å; Y30-A48 PolarHBondContact OH-N 3.02Å; Y30-T107 WeakPolarHBondContact CE1-OG1 3.44Å; Y30-T107 PolarHBondContact OH-O 3.33Å; Y30-T107 PolarHBondContact OH-OG1 2.91Å; Y30-F109 HydrophobicContact CE2-CB 3.88Å; Y30-F109 PolarHBondContact OH-N 3Å
31R96.9Very high94.5Very high132 Ų13257.5 Ų57.550%0.49828%0.282SS..Hα-helixtrans-58.7-31.9169.5-77.4176.9170.2165.2-6113.3I27 D28 V29 W40I27-R31 WeakPolarHBondContact O-CG 3.44Å; I27-R31 PolarHBondContact O-N 3.48Å; D28-R31 IonicContact OD1-NH1 3.82Å; V29-R31 VanDerWaalsContact C-N 3.34Å; V29-R31 PolarHBondContact O-N 3.28Å; R31-W40 HydrophobicContact CG-CZ2 3.98Å
32K97.2Very high95Very high123 Ų12355.8 Ų55.854%0.53527%0.271SS..Hα-helixtrans-82.2-30.5176.5-66.3168.2-174.8177.10112.7D28 V29 Y30 W93 L94D28-K32 WeakPolarHBondContact O-CG 3.09Å; D28-K32 PolarHBondContact O-N 3.08Å; V29-K32 WeakPolarHBondContact O-CB 3.21Å; V29-K32 PolarHBondContact O-N 2.84Å; Y30-K32 PolarHBondContact O-N 3.43Å; K32-W93 HydrophobicContact CB-CH2 4.1Å; K32-W93 HydrophobicContact CB-CZ3 3.94Å; K32-W93 HydrophobicContact CD-CZ3 4.16Å; K32-L94 HydrophobicContact CD-CD2 3.98Å
33L95.9Very high95.3Very high56 Ų5651.1 Ų51.129%0.29325%0.246SC..Hα-helixtrans-82.9-32.9-178-72.3174000113.4V29 Y30 I91 W93 L94 L98V29-L33 HydrophobicContact CG1-CD1 3.67Å; V29-L33 HydrophobicContact CG1-CG 4.34Å; V29-L33 WeakPolarHBondContact O-CG 3.17Å; V29-L33 PolarHBondContact O-N 3.16Å; Y30-L33 HydrophobicContact CD1-CD1 4.33Å; Y30-L33 HydrophobicContact CE1-CD1 4.41Å; Y30-L33 PolarHBondContact O-N 3Å; L33-I91 HydrophobicContact CD2-CD1 4.04Å; L33-W93 HydrophobicContact CD2-CH2 4.24Å; L33-W93 HydrophobicContact CD2-CZ2 4.23Å; L33-L94 HydrophobicContact CD1-CD1 3.96Å; L33-L94 HydrophobicContact CD2-CD1 3.65Å; L33-L94 HydrophobicContact CG-CD1 3.77Å; L33-L98 HydrophobicContact CD1-CD1 4.05Å; L33-L98 HydrophobicContact CD1-CD2 4.45Å
34I94.3Very high95.5Very high20 Ų2047.7 Ų47.710%0.10323%0.23CC..SBendtrans-106.4130.5-171.9-60.4166.5000109.2Y30 Y38 W40 V50Y30-I34 HydrophobicContact CD1-CD1 3.63Å; Y30-I34 HydrophobicContact CD1-CG1 4.28Å; Y30-I34 HydrophobicContact CE1-CD1 4.5Å; Y30-I34 HydrophobicContact CG-CD1 4.33Å; Y30-I34 WeakPolarHBondContact O-CB 3.26Å; Y30-I34 PolarHBondContact O-N 3.15Å; I34-Y38 HydrophobicContact CG2-CG 4.27Å; I34-W40 HydrophobicContact CD1-CB 3.84Å; I34-W40 HydrophobicContact CD1-CD2 3.7Å; I34-W40 HydrophobicContact CD1-CE3 4.23Å; I34-W40 HydrophobicContact CD1-CG 3.52Å; I34-W40 HydrophobicContact CG2-CG 4.27Å; I34-V50 HydrophobicContact CD1-CG2 3.66Å; I34-V50 HydrophobicContact CG1-CG2 4.03Å
35K92.1Very high95.4Very high137 Ų13740.8 Ų40.860%0.59620%0.198SC*.  trans-63.4144.4177.9-62.4179.7-176.6173.90110.3C37 Y38K35-C37 PolarHBondContact O-N 3.02Å; K35-C37 VanDerWaalsContact O-N 3.08Å; K35-Y38 HydrophobicContact CB-CD2 3.68Å; K35-Y38 HydrophobicContact CB-CE2 3.83Å; K35-Y38 HydrophobicContact CD-CE2 3.95Å; K35-Y38 HydrophobicContact CG-CE2 4.28Å; K35-Y38 PolarHBondContact O-N 2.96Å
36P89.5Confident95.5Very high107 Ų10737.7 Ų37.770%0.69519%0.186SC*.THydrogen-bonded Turntrans-56.7-28.1-176.1-28.535.7000115.8Y38 G152P36-Y38 PolarHBondContact O-N 3.01Å; P36-G152 WeakPolarHBondContact O-CA 3.39Å
37C88.2Confident95.5Very high69 Ų6937.7 Ų37.747%0.46619%0.186SC..THydrogen-bonded Turntrans-72.2-9.6178.757.50000114.1K35 G152K35-C37 PolarHBondContact O-N 3.02Å; K35-C37 VanDerWaalsContact O-N 3.08Å; C37-G152 WeakPolarHBondContact O-CA 2.94Å
38Y91.4Very high95.5Very high40 Ų4036.4 Ų36.416%0.15718%0.18CC..SBendtrans-93.2134.5-179.9-70.7-109.7000110.6I34 K35 P36 V50 E53I34-Y38 HydrophobicContact CG2-CG 4.27Å; K35-Y38 HydrophobicContact CB-CD2 3.68Å; K35-Y38 HydrophobicContact CB-CE2 3.83Å; K35-Y38 HydrophobicContact CD-CE2 3.95Å; K35-Y38 HydrophobicContact CG-CE2 4.28Å; K35-Y38 PolarHBondContact O-N 2.96Å; P36-Y38 PolarHBondContact O-N 3.01Å; Y38-V50 HydrophobicContact CD1-CG1 3.56Å; Y38-V50 HydrophobicContact CE1-CG1 4.4Å; Y38-V50 HydrophobicContact CG-CG1 4.24Å; Y38-E53 HydrophobicContact CD1-CG 3.69Å; Y38-E53 HydrophobicContact CE1-CB 4.39Å; Y38-E53 VanDerWaalsContact CE1-CD 3.44Å; Y38-E53 HydrophobicContact CE1-CG 3Å; Y38-E53 WeakPolarHBondContact CE1-OE1 3.46Å; Y38-E53 HydrophobicContact CE2-CG 4.11Å; Y38-E53 VanDerWaalsContact CZ-CD 3.42Å; Y38-E53 VanDerWaalsContact CZ-OE1 3.26Å; Y38-E53 WeakPolarHBondContact OH-CG 3.44Å; Y38-E53 PolarHBondContact OH-OE1 3.31Å
39S93.1Very high95.5Very high4 Ų433 Ų333%0.02816%0.162CC..  trans-76.9139.8165-62.90000110.1L51 Q150 G152S39-L51 WeakPolarHBondContact O-CA 3.38Å; S39-L51 WeakPolarHBondContact O-CB 3.24Å; S39-L51 PolarHBondContact O-N 3.47Å; S39-Q150 CarbonylContact C-O 3.46Å; S39-Q150 WeakPolarHBondContact CA-O 3.29Å; S39-G152 PolarHBondContact OG-N 2.99Å
40W95.8Very high95.4Very high4 Ų433.9 Ų33.92%0.01517%0.167CC..EExtended strand (participates in β ladder)trans-152.4151.6176.259-85.2000112.9Y30 R31 I34 L42 V49 V50 H148 L149 Q150Y30-W40 VanDerWaalsContact CB-CH2 3.5Å; Y30-W40 HydrophobicContact CG-CZ3 4.24Å; R31-W40 HydrophobicContact CG-CZ2 3.98Å; I34-W40 HydrophobicContact CD1-CB 3.84Å; I34-W40 HydrophobicContact CD1-CD2 3.7Å; I34-W40 HydrophobicContact CD1-CE3 4.23Å; I34-W40 HydrophobicContact CD1-CG 3.52Å; I34-W40 HydrophobicContact CG2-CG 4.27Å; W40-L42 HydrophobicContact CE3-CB 3.97Å; W40-L42 HydrophobicContact CZ3-CB 3.56Å; W40-L42 HydrophobicContact CZ3-CD2 4.06Å; W40-L42 HydrophobicContact CZ3-CG 4.41Å; W40-V49 VanDerWaalsContact CA-O 3.31Å; W40-V49 WeakPolarHBondContact CA-O 3.2Å; W40-V50 HydrophobicContact CB-CG2 4.24Å; W40-H148 AromaticContact CH2-CD2 3.2Å; W40-H148 WeakPolarHBondContact CH2-CD2 3.41Å; W40-H148 AromaticContact CH2-NE2 3.75Å; W40-H148 AromaticContact CZ2-CD2 3.67Å; W40-H148 AromaticContact CZ2-NE2 3.83Å; W40-H148 HydrophobicContact CZ3-CB 4.44Å; W40-H148 AromaticContact CZ3-CD2 3.5Å; W40-H148 VanDerWaalsContact CZ3-CD2 3.5Å; W40-H148 WeakPolarHBondContact CZ3-CD2 3.3Å; W40-L149 WeakPolarHBondContact O-CA 3.39Å; W40-Q150 HydrophobicContact CD2-CB 4.1Å; W40-Q150 HydrophobicContact CG-CB 4.22Å; W40-Q150 HydrophobicContact CZ2-CB 3.98Å; W40-Q150 PolarHBondContact N-O 3.02Å; W40-Q150 VanDerWaalsContact NE1-CB 3.32Å; W40-Q150 PolarHBondContact O-N 3.18Å
41V97.7Very high95.1Very high0 Ų034 Ų340%017%0.167CC..EExtended strand (participates in β ladder)trans-118.4137.5176.3168.80000108.7F43 A48 V49 L51 T64 A67 I146 H148 L149V41-F43 HydrophobicContact CG1-CD2 4.24Å; V41-F43 HydrophobicContact CG1-CE2 3.71Å; V41-F43 HydrophobicContact CG1-CZ 3.94Å; V41-A48 CarbonylContact O-C 3.5Å; V41-A48 VanDerWaalsContact O-CA 3.23Å; V41-A48 WeakPolarHBondContact O-CA 3.43Å; V41-V49 PolarHBondContact N-O 3.46Å; V41-V49 PolarHBondContact O-N 3.48Å; V41-L51 HydrophobicContact CB-CD1 4.33Å; V41-L51 HydrophobicContact CG2-CD1 3.89Å; V41-T64 HydrophobicContact CG2-CG2 4.49Å; V41-A67 HydrophobicContact CB-CB 3.55Å; V41-A67 HydrophobicContact CG1-CB 3.69Å; V41-A67 HydrophobicContact CG2-CB 3.68Å; V41-I146 HydrophobicContact CG1-CB 4.39Å; V41-I146 HydrophobicContact CG1-CD1 3.66Å; V41-I146 HydrophobicContact CG1-CG1 3.75Å; V41-I146 HydrophobicContact CG1-CG2 3.82Å; V41-H148 WeakPolarHBondContact CA-O 3.23Å; V41-L149 HydrophobicContact CG2-CB 4.5Å; V41-L149 HydrophobicContact CG2-CD1 3.53Å
42L98.6Very high94.1Very high0 Ų030.1 Ų30.10%016%0.157CC..EExtended strand (participates in β ladder)trans-120.1133.6175.9170.569.5000111.1L26 I27 Y30 W40 A48 I147 H148L26-L42 HydrophobicContact CB-CD2 3.81Å; I27-L42 HydrophobicContact CG1-CD2 3.79Å; Y30-L42 HydrophobicContact CD2-CD1 3.57Å; Y30-L42 HydrophobicContact CD2-CD2 4.06Å; Y30-L42 HydrophobicContact CD2-CG 4.37Å; Y30-L42 HydrophobicContact CE2-CD1 3.42Å; Y30-L42 VanDerWaalsContact CE2-CD1 3.42Å; W40-L42 HydrophobicContact CE3-CB 3.97Å; W40-L42 HydrophobicContact CZ3-CB 3.56Å; W40-L42 HydrophobicContact CZ3-CD2 4.06Å; W40-L42 HydrophobicContact CZ3-CG 4.41Å; L42-A48 HydrophobicContact CD1-CB 4.27Å; L42-I147 HydrophobicContact CB-CG1 4.37Å; L42-I147 HydrophobicContact CD2-CD1 3.68Å; L42-I147 HydrophobicContact CD2-CG1 3.97Å; L42-I147 HydrophobicContact CG-CD1 3.83Å; L42-I147 HydrophobicContact CG-CG1 3.77Å; L42-I147 WeakPolarHBondContact O-CG1 3.25Å; L42-I147 PolarHBondContact O-N 3.21Å; L42-H148 HydrophobicContact CB-CB 4.18Å; L42-H148 HydrophobicContact CD2-CB 4.41Å; L42-H148 PolarHBondContact N-O 3.05Å; L42-H148 PolarHBondContact O-N 3.32Å
43F98.4Very high92.4Very high0 Ų028.7 Ų28.70%015%0.152CC..EExtended strand (participates in β ladder)trans-98.9157.4179.4-64.2-93.9000111.4V41 N45 G46 T47 V49 A67 R68 L71 D140 D145 I146V41-F43 HydrophobicContact CG1-CD2 4.24Å; V41-F43 HydrophobicContact CG1-CE2 3.71Å; V41-F43 HydrophobicContact CG1-CZ 3.94Å; F43-N45 PolarHBondContact O-N 3.47Å; F43-N45 VanDerWaalsContact O-N 3.1Å; F43-G46 PolarHBondContact O-N 3.04Å; F43-T47 WeakPolarHBondContact CD2-O 3.47Å; F43-T47 PolarHBondContact N-O 2.96Å; F43-V49 HydrophobicContact CE2-CG2 3.85Å; F43-A67 HydrophobicContact CE2-CB 4.18Å; F43-A67 HydrophobicContact CZ-CB 4.05Å; F43-R68 HydrophobicContact CE1-CG 4.18Å; F43-R68 HydrophobicContact CZ-CG 4.3Å; F43-L71 HydrophobicContact CD1-CD2 3.73Å; F43-L71 HydrophobicContact CD2-CD2 3.65Å; F43-L71 HydrophobicContact CE1-CD2 3.71Å; F43-L71 HydrophobicContact CE2-CB 4.33Å; F43-L71 HydrophobicContact CE2-CD2 3.63Å; F43-L71 HydrophobicContact CG-CD2 3.7Å; F43-L71 HydrophobicContact CZ-CB 4.31Å; F43-L71 HydrophobicContact CZ-CD2 3.66Å; F43-D140 HydrophobicContact CB-CB 3.76Å; F43-D140 WeakPolarHBondContact CB-OD1 3.38Å; F43-D140 HydrophobicContact CG-CB 4.33Å; F43-D145 CarbonylContact C-O 3.42Å; F43-D145 WeakPolarHBondContact CA-O 3.23Å; F43-I146 HydrophobicContact CD1-CG1 3.94Å; F43-I146 HydrophobicContact CE1-CD1 4.26Å; F43-I146 HydrophobicContact CE1-CG1 3.6Å; F43-I146 HydrophobicContact CZ-CD1 4.42Å; F43-I146 HydrophobicContact CZ-CG1 4.1Å
44A97Very high90.6Very high0 Ų032.2 Ų32.20%017%0.171CC..THydrogen-bonded Turntrans-59.8-24.5-165.900000115.9D140 D145 I147A44-D140 PolarHBondContact N-OD1 2.7Å; A44-D145 HydrophobicContact CB-CB 4.02Å; A44-D145 PolarHBondContact N-O 3.23Å; A44-I147 HydrophobicContact CB-CG2 3.78Å
45N95Very high88.8Confident1 Ų136.6 Ų36.61%0.00519%0.189CC..THydrogen-bonded Turntrans-101.515.9180-53.6-90.3000112.9F43 L136 K139 D140 E143F43-N45 PolarHBondContact O-N 3.47Å; F43-N45 VanDerWaalsContact O-N 3.1Å; N45-L136 HydrophobicContact CB-CB 4.28Å; N45-L136 HydrophobicContact CB-CD2 4.14Å; N45-K139 WeakPolarHBondContact OD1-CD 3.34Å; N45-K139 WeakPolarHBondContact OD1-CE 3.37Å; N45-K139 PolarHBondContact OD1-NZ 3.38Å; N45-D140 WeakPolarHBondContact CA-OD1 3.47Å; N45-D140 WeakPolarHBondContact CB-OD1 3.48Å; N45-D140 PolarHBondContact N-OD1 3.42Å; N45-D140 PolarHBondContact N-OD2 3.38Å; N45-D140 PolarHBondContact ND2-OD1 3.37Å; N45-E143 PolarHBondContact ND2-OE2 3.48Å
46G96.7Very high87Confident0 Ų035.5 Ų35.50%020%0.197CC..SBendtrans98.83.3169.900000115.3Y30 F43 T108 F109Y30-G46 WeakPolarHBondContact CE2-O 3.44Å; Y30-G46 PolarHBondContact OH-O 2.76Å; F43-G46 PolarHBondContact O-N 3.04Å; G46-T108 WeakPolarHBondContact O-CA 3.4Å; G46-F109 PolarHBondContact O-N 3.43Å
47T97.7Very high86.3Confident0 Ų037.6 Ų37.60%020%0.203CC..EExtended strand (participates in β ladder)trans-80.1123.8175.5-50.40000111F43 L71 V106 T107 T108 R137 D140F43-T47 WeakPolarHBondContact CD2-O 3.47Å; F43-T47 PolarHBondContact N-O 2.96Å; T47-L71 HydrophobicContact CG2-CD1 3.76Å; T47-V106 HydrophobicContact CG2-CG1 3.75Å; T47-T107 CarbonylContact C-O 3.55Å; T47-T107 VanDerWaalsContact CA-O 3.22Å; T47-T107 WeakPolarHBondContact CA-O 3.47Å; T47-T107 WeakPolarHBondContact CG2-O 3.34Å; T47-T108 PolarHBondContact OG1-OG1 3.49Å; T47-R137 HydrophobicContact CG2-CG 4.13Å; T47-R137 WeakPolarHBondContact OG1-CA 3.25Å; T47-D140 WeakPolarHBondContact CB-OD2 3.39Å; T47-D140 PolarHBondContact N-OD2 3.27Å; T47-D140 PolarHBondContact OG1-OD2 2.98Å
48A98.1Very high86Confident0 Ų035.3 Ų35.30%019%0.186CC..EExtended strand (participates in β ladder)trans-105.3146.9168.800000111.8Y30 V41 L42 V106 T107Y30-A48 HydrophobicContact CD1-CB 3.64Å; Y30-A48 HydrophobicContact CD2-CB 4.14Å; Y30-A48 HydrophobicContact CE1-CB 3.24Å; Y30-A48 HydrophobicContact CE2-CB 3.79Å; Y30-A48 HydrophobicContact CG-CB 4.05Å; Y30-A48 PolarHBondContact OH-N 3.02Å; V41-A48 CarbonylContact O-C 3.5Å; V41-A48 VanDerWaalsContact O-CA 3.23Å; V41-A48 WeakPolarHBondContact O-CA 3.43Å; L42-A48 HydrophobicContact CD1-CB 4.27Å; A48-V106 WeakPolarHBondContact O-CA 3.21Å; A48-T107 PolarHBondContact N-O 3.1Å; A48-T107 PolarHBondContact O-N 3.32Å; A48-T107 VanDerWaalsContact O-N 3.09Å
49V96.7Very high85.9Confident0 Ų035.9 Ų35.90%020%0.196CC..EExtended strand (participates in β ladder)trans-117115.9167.8179.80000107.5W40 V41 F43 L51 Y66 A67 K70 L71 R105 V106W40-V49 VanDerWaalsContact CA-O 3.31Å; W40-V49 WeakPolarHBondContact CA-O 3.2Å; V41-V49 PolarHBondContact N-O 3.46Å; V41-V49 PolarHBondContact O-N 3.48Å; F43-V49 HydrophobicContact CE2-CG2 3.85Å; V49-L51 WeakPolarHBondContact O-CD1 3.42Å; V49-Y66 HydrophobicContact CG1-CE1 4.38Å; V49-A67 HydrophobicContact CB-CB 4.14Å; V49-A67 HydrophobicContact CG1-CB 4.32Å; V49-A67 HydrophobicContact CG2-CB 4.49Å; V49-K70 HydrophobicContact CG1-CB 4.1Å; V49-K70 HydrophobicContact CG1-CG 3.76Å; V49-L71 HydrophobicContact CG2-CB 4.32Å; V49-R105 CarbonylContact C-O 3.6Å; V49-R105 WeakPolarHBondContact CA-O 3.31Å; V49-V106 HydrophobicContact CG2-CG2 4.3Å
50V95.1Very high85.9Confident18 Ų1841 Ų4111%0.10922%0.221CC..EExtended strand (participates in β ladder)trans-82.9124.7171.8179.60000108.7I34 Y38 W40 R105I34-V50 HydrophobicContact CD1-CG2 3.66Å; I34-V50 HydrophobicContact CG1-CG2 4.03Å; Y38-V50 HydrophobicContact CD1-CG1 3.56Å; Y38-V50 HydrophobicContact CE1-CG1 4.4Å; Y38-V50 HydrophobicContact CG-CG1 4.24Å; W40-V50 HydrophobicContact CB-CG2 4.24Å; V50-R105 HydrophobicContact CB-CB 3.96Å; V50-R105 HydrophobicContact CB-CG 4.21Å; V50-R105 PolarHBondContact N-O 3.03Å; V50-R105 WeakPolarHBondContact O-CB 3.36Å
51L90.9Very high85.8Confident2 Ų248.2 Ų48.21%0.0126%0.256CS..PPolyproline II helixtrans-87.3154.5173.9-63.288.8000108.6S39 V41 V49 L58 A63 Y66S39-L51 WeakPolarHBondContact O-CA 3.38Å; S39-L51 WeakPolarHBondContact O-CB 3.24Å; S39-L51 PolarHBondContact O-N 3.47Å; V41-L51 HydrophobicContact CB-CD1 4.33Å; V41-L51 HydrophobicContact CG2-CD1 3.89Å; V49-L51 WeakPolarHBondContact O-CD1 3.42Å; L51-L58 HydrophobicContact CB-CD1 4.05Å; L51-L58 HydrophobicContact CD2-CD1 3.71Å; L51-A63 VanDerWaalsContact CD2-CA 3.44Å; L51-A63 HydrophobicContact CD2-CB 3.71Å; L51-A63 WeakPolarHBondContact CD2-O 3.3Å; L51-Y66 HydrophobicContact CD2-CD1 3.75Å; L51-Y66 HydrophobicContact CD2-CG 4.38Å; L51-Y66 HydrophobicContact CG-CD1 3.8Å; L51-Y66 HydrophobicContact CG-CE1 4.17Å
52N75.9Confident85.5Confident52 Ų5253.2 Ų53.228%0.27828%0.28SS..PPolyproline II helixtrans-51.7156.7-168.9-66.5-13.8000114.4D54 R105N52-D54 VanDerWaalsContact C-N 3.25Å; N52-D54 PolarHBondContact O-N 2.87Å; N52-R105 PolarHBondContact OD1-NH1 3.35Å
53E62.3Low85.3Confident93 Ų9353.2 Ų53.244%0.43528%0.28SS..THydrogen-bonded Turntrans-64.7-26.4178.1-77.4162.3-142.800113.2Y38 R105Y38-E53 HydrophobicContact CD1-CG 3.69Å; Y38-E53 HydrophobicContact CE1-CB 4.39Å; Y38-E53 VanDerWaalsContact CE1-CD 3.44Å; Y38-E53 HydrophobicContact CE1-CG 3Å; Y38-E53 WeakPolarHBondContact CE1-OE1 3.46Å; Y38-E53 HydrophobicContact CE2-CG 4.11Å; Y38-E53 VanDerWaalsContact CZ-CD 3.42Å; Y38-E53 VanDerWaalsContact CZ-OE1 3.26Å; Y38-E53 WeakPolarHBondContact OH-CG 3.44Å; Y38-E53 PolarHBondContact OH-OE1 3.31Å; E53-R105 IonicContact OE1-NH2 2.93Å; E53-R105 PolarHBondContact OE1-NH2 3.1Å
54D57.5Low85.2Confident130 Ų13054.1 Ų54.170%0.69529%0.286SS*.THydrogen-bonded Turntrans-113.310.7-156.6-24.7-58.1000113.6N52N52-D54 VanDerWaalsContact C-N 3.25Å; N52-D54 PolarHBondContact O-N 2.87Å
55K56.3Low85.1Confident112 Ų11257.5 Ų57.549%0.48730%0.304SS..  trans-115.484.4-179-63.9-164.7175.1-166.40110.8D57 L58K55-D57 PolarHBondContact O-N 3.35Å; K55-L58 HydrophobicContact CB-CD1 4.16Å; K55-L58 HydrophobicContact CB-CD2 4.24Å; K55-L58 HydrophobicContact CB-CG 3.81Å; K55-L58 HydrophobicContact CD-CD2 3.93Å; K55-L58 HydrophobicContact CD-CG 4.41Å
56C56Low85Confident113 Ų11361.7 Ų61.776%0.76432%0.32SS*.THydrogen-bonded Turntrans-63-23171-590000112.3
57D72.8Confident85Confident152 Ų15261.7 Ų61.781%0.81332%0.32SS*.THydrogen-bonded Turntrans-106.240.2-172.1-55.9-33.4000113.7K55 S59K55-D57 PolarHBondContact O-N 3.35Å; D57-S59 PolarHBondContact O-N 2.79Å
58L82.5Confident84.9Confident20 Ų2065.7 Ų65.711%0.10534%0.335CS..  trans-80.2117.7170.3-70.8176.1000110.1L51 K55 M62 A63 L151L51-L58 HydrophobicContact CB-CD1 4.05Å; L51-L58 HydrophobicContact CD2-CD1 3.71Å; K55-L58 HydrophobicContact CB-CD1 4.16Å; K55-L58 HydrophobicContact CB-CD2 4.24Å; K55-L58 HydrophobicContact CB-CG 3.81Å; K55-L58 HydrophobicContact CD-CD2 3.93Å; K55-L58 HydrophobicContact CD-CG 4.41Å; L58-M62 HydrophobicContact CD2-CB 4.26Å; L58-M62 HydrophobicContact CD2-CE 4.18Å; L58-A63 HydrophobicContact CB-CB 4.32Å; L58-L151 HydrophobicContact CB-CD2 4.41Å
59S89.5Confident84.8Confident52 Ų5271.8 Ų71.836%0.36436%0.362SS..  trans-63.3155.2163.278.30000110.3D57 E61 M62 A63D57-S59 PolarHBondContact O-N 2.79Å; S59-E61 PolarHBondContact O-N 2.92Å; S59-M62 PolarHBondContact O-N 2.89Å; S59-M62 VanDerWaalsContact O-N 3.16Å; S59-M62 WeakPolarHBondContact OG-CB 3.42Å; S59-M62 VanDerWaalsContact OG-CG 3.27Å; S59-M62 WeakPolarHBondContact OG-CG 3.47Å; S59-M62 PolarHBondContact OG-N 3.23Å; S59-M62 VanDerWaalsContact OG-N 3.11Å; S59-A63 WeakPolarHBondContact O-CB 3.44Å; S59-A63 PolarHBondContact O-N 2.9Å
60I92.6Very high84.6Confident111 Ų11174 Ų7457%0.56937%0.372SS*.Hα-helixtrans-53.4-41.9174.7-66.5175.1000110.7A63 T64 L149I60-A63 PolarHBondContact O-N 2.91Å; I60-T64 HydrophobicContact CG2-CG2 4.38Å; I60-T64 WeakPolarHBondContact O-CB 3.39Å; I60-T64 VanDerWaalsContact O-CG2 3.23Å; I60-T64 WeakPolarHBondContact O-CG2 3.33Å; I60-T64 PolarHBondContact O-N 3.06Å; I60-T64 PolarHBondContact O-OG1 3.3Å; I60-L149 HydrophobicContact CB-CD2 4.06Å; I60-L149 HydrophobicContact CG1-CD2 3.91Å; I60-L149 HydrophobicContact CG2-CD2 3.79Å
61E94.1Very high84.6Confident157 Ų15773.2 Ų73.273%0.73437%0.366SS*.Hα-helixtrans-63.8-47.8178.8-64.9175.7179.400111.8S59 A63 T64 D65S59-E61 PolarHBondContact O-N 2.92Å; E61-A63 PolarHBondContact O-N 2.96Å; E61-T64 PolarHBondContact O-N 2.9Å; E61-T64 PolarHBondContact O-OG1 2.87Å; E61-D65 VanDerWaalsContact O-CB 3.25Å; E61-D65 WeakPolarHBondContact O-CB 3.43Å; E61-D65 PolarHBondContact O-N 3.36Å
62M92.5Very high84.7Confident104 Ų10478 Ų7851%0.51239%0.387SS..Hα-helixtrans-63.5-42.3178.5-71.9171.867.600111.9L58 S59 Y66L58-M62 HydrophobicContact CD2-CB 4.26Å; L58-M62 HydrophobicContact CD2-CE 4.18Å; S59-M62 PolarHBondContact O-N 2.89Å; S59-M62 VanDerWaalsContact O-N 3.16Å; S59-M62 WeakPolarHBondContact OG-CB 3.42Å; S59-M62 VanDerWaalsContact OG-CG 3.27Å; S59-M62 WeakPolarHBondContact OG-CG 3.47Å; S59-M62 PolarHBondContact OG-N 3.23Å; S59-M62 VanDerWaalsContact OG-N 3.11Å; M62-Y66 VanDerWaalsContact O-CB 3.26Å; M62-Y66 WeakPolarHBondContact O-CB 3.31Å; M62-Y66 PolarHBondContact O-N 3.11Å
63A93Very high85.4Confident0 Ų083.5 Ų83.50%041%0.409CS..Hα-helixtrans-62.8-50178.800000111L51 L58 S59 I60 E61 Y66 A67 L149 L151L51-A63 VanDerWaalsContact CD2-CA 3.44Å; L51-A63 HydrophobicContact CD2-CB 3.71Å; L51-A63 WeakPolarHBondContact CD2-O 3.3Å; L58-A63 HydrophobicContact CB-CB 4.32Å; S59-A63 WeakPolarHBondContact O-CB 3.44Å; S59-A63 PolarHBondContact O-N 2.9Å; I60-A63 PolarHBondContact O-N 2.91Å; E61-A63 PolarHBondContact O-N 2.96Å; A63-Y66 PolarHBondContact O-N 2.84Å; A63-A67 WeakPolarHBondContact O-CB 3.23Å; A63-A67 PolarHBondContact O-N 2.88Å; A63-L149 HydrophobicContact CB-CD1 3.84Å; A63-L149 HydrophobicContact CB-CD2 4.36Å; A63-L151 HydrophobicContact CB-CD2 4.27Å
64T95.9Very high86.6Confident19 Ų1979.7 Ų79.712%0.11739%0.392CS..Hα-helixtrans-71.2-36.8-177.264.30000112.3V41 I60 E61 A67 R68 I146 L149V41-T64 HydrophobicContact CG2-CG2 4.49Å; I60-T64 HydrophobicContact CG2-CG2 4.38Å; I60-T64 WeakPolarHBondContact O-CB 3.39Å; I60-T64 VanDerWaalsContact O-CG2 3.23Å; I60-T64 WeakPolarHBondContact O-CG2 3.33Å; I60-T64 PolarHBondContact O-N 3.06Å; I60-T64 PolarHBondContact O-OG1 3.3Å; E61-T64 PolarHBondContact O-N 2.9Å; E61-T64 PolarHBondContact O-OG1 2.87Å; T64-A67 PolarHBondContact O-N 3.19Å; T64-R68 WeakPolarHBondContact O-CG 3.36Å; T64-R68 PolarHBondContact O-N 3.39Å; T64-R68 PolarHBondContact O-NH1 2.83Å; T64-R68 VanDerWaalsContact O-NH1 3.15Å; T64-R68 PolarHBondContact OG1-NH1 3.35Å; T64-I146 HydrophobicContact CG2-CD1 3.74Å; T64-L149 HydrophobicContact CG2-CD2 4.15Å
65D95.6Very high87.8Confident72 Ų7274.7 Ų74.739%0.38537%0.369SS..Hα-helixtrans-63.3-45.7173.417662000111.9E61 A67 R68 K69E61-D65 VanDerWaalsContact O-CB 3.25Å; E61-D65 WeakPolarHBondContact O-CB 3.43Å; E61-D65 PolarHBondContact O-N 3.36Å; D65-A67 VanDerWaalsContact C-N 3.34Å; D65-A67 PolarHBondContact O-N 2.93Å; D65-R68 PolarHBondContact O-N 2.91Å; D65-K69 WeakPolarHBondContact O-CG 3.31Å; D65-K69 PolarHBondContact O-N 3.06Å; D65-K69 WeakPolarHBondContact OD1-CE 3.41Å; D65-K69 IonicContact OD1-NZ 3.36Å; D65-K69 PolarHBondContact OD1-NZ 3.09Å; D65-K69 WeakPolarHBondContact OD2-CE 3.37Å; D65-K69 IonicContact OD2-NZ 2.65Å; D65-K69 PolarHBondContact OD2-NZ 3.37Å
66Y93.6Very high88.7Confident89 Ų8977.4 Ų77.435%0.34938%0.381SS..Hα-helixtrans-57.9-47.3174.9175.5-92000111.5V49 L51 M62 A63 R68 K69 K70V49-Y66 HydrophobicContact CG1-CE1 4.38Å; L51-Y66 HydrophobicContact CD2-CD1 3.75Å; L51-Y66 HydrophobicContact CD2-CG 4.38Å; L51-Y66 HydrophobicContact CG-CD1 3.8Å; L51-Y66 HydrophobicContact CG-CE1 4.17Å; M62-Y66 VanDerWaalsContact O-CB 3.26Å; M62-Y66 WeakPolarHBondContact O-CB 3.31Å; M62-Y66 PolarHBondContact O-N 3.11Å; A63-Y66 PolarHBondContact O-N 2.84Å; Y66-R68 PolarHBondContact O-N 2.93Å; Y66-K69 PolarHBondContact O-N 3.21Å; Y66-K70 HydrophobicContact CE1-CB 4.35Å; Y66-K70 VanDerWaalsContact O-CB 3.25Å; Y66-K70 WeakPolarHBondContact O-CB 3.48Å; Y66-K70 PolarHBondContact O-N 3.23Å
67A95.9Very high89.1Confident0 Ų073.4 Ų73.40%036%0.355CS..Hα-helixtrans-60-46.3179.800000112V41 F43 V49 A63 T64 D65 K69 K70 L71V41-A67 HydrophobicContact CB-CB 3.55Å; V41-A67 HydrophobicContact CG1-CB 3.69Å; V41-A67 HydrophobicContact CG2-CB 3.68Å; F43-A67 HydrophobicContact CE2-CB 4.18Å; F43-A67 HydrophobicContact CZ-CB 4.05Å; V49-A67 HydrophobicContact CB-CB 4.14Å; V49-A67 HydrophobicContact CG1-CB 4.32Å; V49-A67 HydrophobicContact CG2-CB 4.49Å; A63-A67 WeakPolarHBondContact O-CB 3.23Å; A63-A67 PolarHBondContact O-N 2.88Å; T64-A67 PolarHBondContact O-N 3.19Å; D65-A67 VanDerWaalsContact C-N 3.34Å; D65-A67 PolarHBondContact O-N 2.93Å; A67-K69 PolarHBondContact O-N 2.78Å; A67-K70 PolarHBondContact O-N 2.86Å; A67-L71 VanDerWaalsContact O-CB 3.3Å; A67-L71 WeakPolarHBondContact O-CB 3.5Å; A67-L71 PolarHBondContact O-N 3.17Å
68R96.7Very high88.3Confident83 Ų8373.9 Ų73.931%0.31335%0.35SS..Hα-helixtrans-61-45.2176.7-69.9-178.8-166.595.7-5.1112F43 T64 D65 Y66 L71 K72 L144 I146F43-R68 HydrophobicContact CE1-CG 4.18Å; F43-R68 HydrophobicContact CZ-CG 4.3Å; T64-R68 WeakPolarHBondContact O-CG 3.36Å; T64-R68 PolarHBondContact O-N 3.39Å; T64-R68 PolarHBondContact O-NH1 2.83Å; T64-R68 VanDerWaalsContact O-NH1 3.15Å; T64-R68 PolarHBondContact OG1-NH1 3.35Å; D65-R68 PolarHBondContact O-N 2.91Å; Y66-R68 PolarHBondContact O-N 2.93Å; R68-L71 PolarHBondContact O-N 3.33Å; R68-K72 WeakPolarHBondContact O-CB 3.48Å; R68-K72 WeakPolarHBondContact O-CG 3.2Å; R68-K72 PolarHBondContact O-N 3.41Å; R68-L144 HydrophobicContact CB-CD2 4.22Å; R68-L144 HydrophobicContact CG-CB 4.26Å; R68-L144 HydrophobicContact CG-CD2 4.23Å; R68-I146 HydrophobicContact CG-CD1 4.43Å
69K94.4Very high86.9Confident129 Ų12979.1 Ų79.156%0.56139%0.386SS*.Hα-helixtrans-62.7-44.8177.4-74.8172.1177.5165.50111.8D65 Y66 A67 K73D65-K69 WeakPolarHBondContact O-CG 3.31Å; D65-K69 PolarHBondContact O-N 3.06Å; D65-K69 WeakPolarHBondContact OD1-CE 3.41Å; D65-K69 IonicContact OD1-NZ 3.36Å; D65-K69 PolarHBondContact OD1-NZ 3.09Å; D65-K69 WeakPolarHBondContact OD2-CE 3.37Å; D65-K69 IonicContact OD2-NZ 2.65Å; D65-K69 PolarHBondContact OD2-NZ 3.37Å; Y66-K69 PolarHBondContact O-N 3.21Å; A67-K69 PolarHBondContact O-N 2.78Å; K69-K73 WeakPolarHBondContact O-CB 3.35Å; K69-K73 PolarHBondContact O-N 3Å
70K93.5Very high85.1Confident47 Ų4780.3 Ų80.320%0.20441%0.406CS..Hα-helixtrans-62.9-45.3178.3179.665.2168.2176.20111.2V49 Y66 A67 K73 C74 S103 R104 V106V49-K70 HydrophobicContact CG1-CB 4.1Å; V49-K70 HydrophobicContact CG1-CG 3.76Å; Y66-K70 HydrophobicContact CE1-CB 4.35Å; Y66-K70 VanDerWaalsContact O-CB 3.25Å; Y66-K70 WeakPolarHBondContact O-CB 3.48Å; Y66-K70 PolarHBondContact O-N 3.23Å; A67-K70 PolarHBondContact O-N 2.86Å; K70-K73 PolarHBondContact O-N 2.94Å; K70-C74 WeakPolarHBondContact O-CB 3.3Å; K70-C74 PolarHBondContact O-N 3.02Å; K70-S103 VanDerWaalsContact CE-OG 3.24Å; K70-S103 WeakPolarHBondContact CE-OG 3.39Å; K70-S103 PolarHBondContact NZ-OG 3.2Å; K70-R104 WeakPolarHBondContact CE-O 3.38Å; K70-R104 PolarHBondContact NZ-O 3.46Å; K70-R104 VanDerWaalsContact NZ-O 3.16Å; K70-V106 HydrophobicContact CD-CG2 4.42Å; K70-V106 HydrophobicContact CG-CG2 3.95Å
71L94.8Very high83.5Confident0 Ų077.1 Ų77.10%039%0.392CS..Hα-helixtrans-63.8-48.4178.1179.757000111.9F43 T47 V49 A67 R68 K73 C74 A75 V106 R137 D140 A141F43-L71 HydrophobicContact CD1-CD2 3.73Å; F43-L71 HydrophobicContact CD2-CD2 3.65Å; F43-L71 HydrophobicContact CE1-CD2 3.71Å; F43-L71 HydrophobicContact CE2-CB 4.33Å; F43-L71 HydrophobicContact CE2-CD2 3.63Å; F43-L71 HydrophobicContact CG-CD2 3.7Å; F43-L71 HydrophobicContact CZ-CB 4.31Å; F43-L71 HydrophobicContact CZ-CD2 3.66Å; T47-L71 HydrophobicContact CG2-CD1 3.76Å; V49-L71 HydrophobicContact CG2-CB 4.32Å; A67-L71 VanDerWaalsContact O-CB 3.3Å; A67-L71 WeakPolarHBondContact O-CB 3.5Å; A67-L71 PolarHBondContact O-N 3.17Å; R68-L71 PolarHBondContact O-N 3.33Å; L71-K73 VanDerWaalsContact C-N 3.29Å; L71-K73 PolarHBondContact O-N 3.24Å; L71-C74 WeakPolarHBondContact O-CA 3.4Å; L71-C74 VanDerWaalsContact O-CB 3.31Å; L71-C74 WeakPolarHBondContact O-CB 3.42Å; L71-C74 PolarHBondContact O-N 2.95Å; L71-A75 PolarHBondContact O-N 2.92Å; L71-V106 HydrophobicContact CD1-CG1 4.48Å; L71-R137 HydrophobicContact CD1-CG 3.86Å; L71-D140 HydrophobicContact CD2-CB 3.85Å; L71-D140 WeakPolarHBondContact CD2-O 3.39Å; L71-A141 HydrophobicContact CD1-CB 4.24Å; L71-A141 HydrophobicContact CD2-CB 4.39Å; L71-A141 HydrophobicContact CG-CB 3.83Å
72K93.5Very high81.9Confident103 Ų10373.6 Ų73.645%0.44838%0.383SS..Hα-helixtrans-55.1-44.2174-77.6-178.2174.1176.20112.2R68 C74 A75 K76 L144R68-K72 WeakPolarHBondContact O-CB 3.48Å; R68-K72 WeakPolarHBondContact O-CG 3.2Å; R68-K72 PolarHBondContact O-N 3.41Å; K72-C74 VanDerWaalsContact C-N 3.31Å; K72-C74 PolarHBondContact O-N 2.97Å; K72-A75 PolarHBondContact O-N 3.43Å; K72-K76 WeakPolarHBondContact O-CG 3.21Å; K72-K76 PolarHBondContact O-N 3.04Å; K72-L144 HydrophobicContact CD-CD1 4.48Å; K72-L144 HydrophobicContact CG-CD2 4.09Å
73K90.2Very high80.4Confident168 Ų16872.1 Ų72.173%0.7338%0.375SS*.Hα-helixtrans-64.1-37.4177-174.4176.1178.9176.70111.9K69 K70 L71K69-K73 WeakPolarHBondContact O-CB 3.35Å; K69-K73 PolarHBondContact O-N 3Å; K70-K73 PolarHBondContact O-N 2.94Å; L71-K73 VanDerWaalsContact C-N 3.29Å; L71-K73 PolarHBondContact O-N 3.24Å
74C87.1Confident79Confident13 Ų1379.5 Ų79.59%0.08842%0.415CS..Hα-helixtrans-66.6-40.2177.2-167.30000112.1K70 L71 K72 S103 V106 R137K70-C74 WeakPolarHBondContact O-CB 3.3Å; K70-C74 PolarHBondContact O-N 3.02Å; L71-C74 WeakPolarHBondContact O-CA 3.4Å; L71-C74 VanDerWaalsContact O-CB 3.31Å; L71-C74 WeakPolarHBondContact O-CB 3.42Å; L71-C74 PolarHBondContact O-N 2.95Å; K72-C74 VanDerWaalsContact C-N 3.31Å; K72-C74 PolarHBondContact O-N 2.97Å; C74-S103 VanDerWaalsContact SG-CB 3.51Å; C74-V106 HydrophobicContact CB-CG1 4.5Å; C74-V106 HydrophobicContact CB-CG2 4.41Å; C74-R137 PolarHBondContact O-NH1 2.8Å; C74-R137 PolarHBondContact SG-NH1 2.89Å
75A84.5Confident78Confident25 Ų2580 Ų8021%0.20742%0.417CS..Hα-helixtrans-78.4-17.7-177.500000114.8L71 K72 A77 A141L71-A75 PolarHBondContact O-N 2.92Å; K72-A75 PolarHBondContact O-N 3.43Å; A75-A77 PolarHBondContact O-N 3.06Å; A75-A141 HydrophobicContact CB-CB 3.21Å
76K75.1Confident77.6Confident169 Ų16977.5 Ų77.574%0.73540%0.403SS*.THydrogen-bonded Turntrans-61.97.3177.4-83.7-179.9-178.5-171.20115.6K72 K78K72-K76 WeakPolarHBondContact O-CG 3.21Å; K72-K76 PolarHBondContact O-N 3.04Å; K76-K78 PolarHBondContact O-N 3.31Å
77A63.5Low77.5Confident28 Ų2877.6 Ų77.623%0.23141%0.413CS..  trans-57.1114.117200000109.6A75 T81A75-A77 PolarHBondContact O-N 3.06Å; A77-T81 HydrophobicContact CB-CG2 4.12Å
78K55.4Low77.4Confident163 Ų16378.3 Ų78.371%0.70942%0.419SS*.  trans-59.7150.1-179-63.9-178.9-179.9-178.80110.1K76 G80 T81K76-K78 PolarHBondContact O-N 3.31Å; K78-G80 PolarHBondContact O-N 3.08Å; K78-T81 PolarHBondContact N-OG1 3.09Å; K78-T81 VanDerWaalsContact N-OG1 3.11Å; K78-T81 WeakPolarHBondContact O-CB 3.49Å; K78-T81 PolarHBondContact O-N 3.12Å; K78-T81 PolarHBondContact O-OG1 3.16Å
79P52.8Low77.3Confident130 Ų13079.7 Ų79.784%0.84443%0.429SS*.THydrogen-bonded Turntrans-44.4131.5160.9-2634.4000110
80G52.9Low77.3Confident77 Ų7776.8 Ų76.879%0.79442%0.417SS*.THydrogen-bonded Turntrans87.5-1-174.500000116K78 P82K78-G80 PolarHBondContact O-N 3.08Å; G80-P82 WeakPolarHBondContact O-CD 3.36Å
81T58.6Low77.4Confident43 Ų4375 Ų7526%0.26441%0.41SS..  trans-61.1124168.4-57.30000108.8A77 K78 R134A77-T81 HydrophobicContact CB-CG2 4.12Å; K78-T81 PolarHBondContact N-OG1 3.09Å; K78-T81 VanDerWaalsContact N-OG1 3.11Å; K78-T81 WeakPolarHBondContact O-CB 3.49Å; K78-T81 PolarHBondContact O-N 3.12Å; K78-T81 PolarHBondContact O-OG1 3.16Å; T81-R134 PolarHBondContact O-NH1 2.88Å
82P61.4Low77.3Confident84 Ų8479.5 Ų79.555%0.54544%0.439SS..  trans-55.3140-176.4-25.833.4000112.1G80 N84G80-P82 WeakPolarHBondContact O-CD 3.36Å; P82-N84 HydrophobicContact CB-CB 4.34Å; P82-N84 PolarHBondContact O-N 2.88Å
83M60.2Low77.3Confident72 Ų7282.3 Ų82.336%0.35545%0.447SS..G310 helixtrans-63.3-8174.4-71.9-64.7-66.400113.6D85 I86M83-D85 PolarHBondContact O-N 3.3Å; M83-I86 HydrophobicContact CE-CB 4.49Å; M83-I86 HydrophobicContact CE-CD1 3.76Å; M83-I86 PolarHBondContact O-N 3Å; M83-I86 HydrophobicContact SD-CD1 3.82Å
84N62.7Low77.5Confident156 Ų15674.3 Ų74.383%0.83441%0.412SS*.G310 helixtrans-61.8-5.6177.4-59.26.6000113P82P82-N84 HydrophobicContact CB-CB 4.34Å; P82-N84 PolarHBondContact O-N 2.88Å
85D76.1Confident77.7Confident29 Ų2977.4 Ų77.416%0.15543%0.428CS..G310 helixtrans-94.21.3175.777.4-34.2000114.1M83 Y101 K102M83-D85 PolarHBondContact O-N 3.3Å; D85-Y101 CarbonylContact O-C 3.44Å; D85-Y101 VanDerWaalsContact O-CA 3.32Å; D85-Y101 WeakPolarHBondContact O-CA 3.45Å; D85-K102 HydrophobicContact CB-CB 3.85Å; D85-K102 PolarHBondContact O-N 2.78Å
86I86.8Confident78.2Confident19 Ų1976.2 Ų76.210%0.09742%0.418CS..EExtended strand (participates in β ladder)trans-121.4134.7-176.9-66.3156.3000110.4M83 V99 N100 Y101 R134M83-I86 HydrophobicContact CE-CB 4.49Å; M83-I86 HydrophobicContact CE-CD1 3.76Å; M83-I86 PolarHBondContact O-N 3Å; M83-I86 HydrophobicContact SD-CD1 3.82Å; I86-V99 HydrophobicContact CG2-CG1 3.57Å; I86-N100 WeakPolarHBondContact CA-O 3.41Å; I86-Y101 HydrophobicContact CG1-CD1 3.86Å; I86-Y101 HydrophobicContact CG1-CE1 4.16Å; I86-R134 HydrophobicContact CD1-CB 3.97Å; I86-R134 HydrophobicContact CD1-CG 4.18Å
87T91.4Very high79.2Confident92 Ų9268.6 Ų68.656%0.56438%0.384SS*.EExtended strand (participates in β ladder)trans-128.8121.9169.1-54.10000109V99 N100T87-V99 CarbonylContact O-C 3.58Å; T87-V99 WeakPolarHBondContact O-CA 3.35Å; T87-N100 PolarHBondContact N-O 3.48Å; T87-N100 PolarHBondContact O-N 3.06Å
88A94.2Very high80.8Confident14 Ų1468.1 Ų68.112%0.11638%0.378CS..EExtended strand (participates in β ladder)trans-98.9124.4171.300000109W97 V99 P126 F129A88-W97 HydrophobicContact CB-CE3 3.74Å; A88-W97 HydrophobicContact CB-CZ3 4.06Å; A88-V99 HydrophobicContact CB-CG2 4.27Å; A88-P126 HydrophobicContact CB-CB 4.31Å; A88-P126 VanDerWaalsContact CB-O 3.25Å; A88-P126 WeakPolarHBondContact CB-O 3.44Å; A88-F129 HydrophobicContact CB-CB 4.16Å
89Q95Very high82.7Confident112 Ų11260.4 Ų60.452%0.52334%0.344SS..EExtended strand (participates in β ladder)trans-116.3124176.3179.1-179-9.100109.1W97 L98Q89-W97 VanDerWaalsContact C-CE3 3.46Å; Q89-W97 WeakPolarHBondContact O-CA 3.35Å; Q89-L98 PolarHBondContact N-O 2.64Å; Q89-L98 PolarHBondContact O-N 3.48Å
90H94.7Very high84.6Confident68 Ų6856.8 Ų56.832%0.31532%0.318SS..EExtended strand (participates in β ladder)trans-70131.6169.3-176.6-136.9000109.6P92 G96 W97H90-P92 WeakPolarHBondContact O-CD 3.44Å; H90-G96 PolarHBondContact CD2-O 3.13Å; H90-W97 HydrophobicContact CB-CD2 4.01Å; H90-W97 HydrophobicContact CB-CE3 4.05Å; H90-W97 HydrophobicContact CB-CH2 3.9Å; H90-W97 HydrophobicContact CB-CZ2 3.84Å; H90-W97 HydrophobicContact CB-CZ3 3.99Å; H90-W97 AromaticContact CD2-NE1 3.78Å; H90-W97 VanDerWaalsContact N-CE3 3.3Å
91I95.1Very high86.4Confident11 Ų1153.9 Ų53.96%0.05628%0.283CS..EExtended strand (participates in β ladder)trans-118.190.7176.7-50.7-172.6000108.4L33 W93 L94 D95 G96 L98L33-I91 HydrophobicContact CD2-CD1 4.04Å; I91-W93 VanDerWaalsContact C-N 3.32Å; I91-W93 HydrophobicContact CG2-CD2 4.05Å; I91-W93 VanDerWaalsContact CG2-CE2 3.45Å; I91-W93 HydrophobicContact CG2-CG 4.13Å; I91-W93 HydrophobicContact CG2-CZ2 3.93Å; I91-W93 PolarHBondContact O-N 2.77Å; I91-L94 HydrophobicContact CB-CB 4.17Å; I91-L94 HydrophobicContact CB-CD1 4.27Å; I91-L94 HydrophobicContact CB-CG 4.49Å; I91-L94 HydrophobicContact CD1-CD1 4.12Å; I91-L94 HydrophobicContact CG2-CB 3.94Å; I91-L94 HydrophobicContact CG2-CD1 3.77Å; I91-L94 HydrophobicContact CG2-CG 3.81Å; I91-L94 CarbonylContact O-C 3.52Å; I91-L94 PolarHBondContact O-N 2.65Å; I91-D95 PolarHBondContact O-N 2.93Å; I91-G96 PolarHBondContact N-O 3.05Å; I91-L98 HydrophobicContact CD1-CB 3.49Å; I91-L98 VanDerWaalsContact CD1-CB 3.49Å; I91-L98 HydrophobicContact CD1-CD2 3.94Å; I91-L98 HydrophobicContact CD1-CG 4.31Å; I91-L98 HydrophobicContact CG1-CB 4.15Å
92P91.7Very high87.7Confident93 Ų9360.2 Ų60.260%0.60431%0.307SS*.G310 helixtrans-56.6-40.3-171.9-27.533.7000114.3H90 L94 D95H90-P92 WeakPolarHBondContact O-CD 3.44Å; P92-L94 PolarHBondContact O-N 2.73Å; P92-D95 PolarHBondContact O-N 2.96Å; P92-D95 VanDerWaalsContact O-N 3.1Å
93W94.5Very high88.7Confident163 Ų16357.7 Ų57.762%0.61729%0.291SS*.G310 helixtrans-73.5-7.8-179.162.9-91.5000113.7K32 L33 I91K32-W93 HydrophobicContact CB-CH2 4.1Å; K32-W93 HydrophobicContact CB-CZ3 3.94Å; K32-W93 HydrophobicContact CD-CZ3 4.16Å; L33-W93 HydrophobicContact CD2-CH2 4.24Å; L33-W93 HydrophobicContact CD2-CZ2 4.23Å; I91-W93 VanDerWaalsContact C-N 3.32Å; I91-W93 HydrophobicContact CG2-CD2 4.05Å; I91-W93 VanDerWaalsContact CG2-CE2 3.45Å; I91-W93 HydrophobicContact CG2-CG 4.13Å; I91-W93 HydrophobicContact CG2-CZ2 3.93Å; I91-W93 PolarHBondContact O-N 2.77Å
94L94.5Very high89.9Confident0 Ų064.5 Ų64.50%031%0.313CS..G310 helixtrans-108.4-1.4171-68.1179.2000112.9R25 V29 K32 L33 I91 P92 G96 F109R25-L94 PolarHBondContact NH2-O 3.29Å; V29-L94 HydrophobicContact CG1-CD1 3.89Å; V29-L94 HydrophobicContact CG2-CD2 4.21Å; K32-L94 HydrophobicContact CD-CD2 3.98Å; L33-L94 HydrophobicContact CD1-CD1 3.96Å; L33-L94 HydrophobicContact CD2-CD1 3.65Å; L33-L94 HydrophobicContact CG-CD1 3.77Å; I91-L94 HydrophobicContact CB-CB 4.17Å; I91-L94 HydrophobicContact CB-CD1 4.27Å; I91-L94 HydrophobicContact CB-CG 4.49Å; I91-L94 HydrophobicContact CD1-CD1 4.12Å; I91-L94 HydrophobicContact CG2-CB 3.94Å; I91-L94 HydrophobicContact CG2-CD1 3.77Å; I91-L94 HydrophobicContact CG2-CG 3.81Å; I91-L94 CarbonylContact O-C 3.52Å; I91-L94 PolarHBondContact O-N 2.65Å; P92-L94 PolarHBondContact O-N 2.73Å; L94-G96 VanDerWaalsContact C-N 3.31Å; L94-G96 PolarHBondContact O-N 3.25Å; L94-F109 HydrophobicContact CB-CE2 3.88Å; L94-F109 HydrophobicContact CB-CZ 3.84Å; L94-F109 HydrophobicContact CD1-CE2 4.1Å; L94-F109 WeakPolarHBondContact O-CZ 3.05Å
95D91.8Very high91.2Very high78 Ų7861.3 Ų61.342%0.41729%0.29SS..THydrogen-bonded Turntrans4951.3-176.6-165.627.4000112.7I91 P92 V112I91-D95 PolarHBondContact O-N 2.93Å; P92-D95 PolarHBondContact O-N 2.96Å; P92-D95 VanDerWaalsContact O-N 3.1Å; D95-V112 PolarHBondContact O-N 2.99Å
96G94.1Very high92.1Very high0 Ų060 Ų600%028%0.282CS..EExtended strand (participates in β ladder)trans-171.7174.3-170.900000114.9H90 I91 L94 I110H90-G96 PolarHBondContact CD2-O 3.13Å; I91-G96 PolarHBondContact N-O 3.05Å; L94-G96 VanDerWaalsContact C-N 3.31Å; L94-G96 PolarHBondContact O-N 3.25Å; G96-I110 CarbonylContact C-O 3.44Å; G96-I110 WeakPolarHBondContact CA-O 3.21Å
97W95.7Very high92.6Very high8 Ų860 Ų603%0.0328%0.283CS..EExtended strand (participates in β ladder)trans-112.3130.9179.6-71.479.1000110.8A88 Q89 H90 F109 I110 K123 N124 P126 F129A88-W97 HydrophobicContact CB-CE3 3.74Å; A88-W97 HydrophobicContact CB-CZ3 4.06Å; Q89-W97 VanDerWaalsContact C-CE3 3.46Å; Q89-W97 WeakPolarHBondContact O-CA 3.35Å; H90-W97 HydrophobicContact CB-CD2 4.01Å; H90-W97 HydrophobicContact CB-CE3 4.05Å; H90-W97 HydrophobicContact CB-CH2 3.9Å; H90-W97 HydrophobicContact CB-CZ2 3.84Å; H90-W97 HydrophobicContact CB-CZ3 3.99Å; H90-W97 AromaticContact CD2-NE1 3.78Å; H90-W97 VanDerWaalsContact N-CE3 3.3Å; W97-F109 CarbonylContact O-C 3.49Å; W97-F109 WeakPolarHBondContact O-CA 3.42Å; W97-I110 HydrophobicContact CB-CB 4.31Å; W97-I110 PolarHBondContact N-O 2.88Å; W97-I110 PolarHBondContact O-N 2.86Å; W97-K123 PolarHBondContact NE1-O 3.43Å; W97-N124 WeakPolarHBondContact CH2-O 3.22Å; W97-P126 HydrophobicContact CH2-CB 4.13Å; W97-P126 HydrophobicContact CH2-CG 3.84Å; W97-P126 HydrophobicContact CZ3-CB 3.79Å; W97-P126 HydrophobicContact CZ3-CG 3.93Å; W97-F129 HydrophobicContact CB-CB 3.98Å; W97-F129 HydrophobicContact CB-CD1 3.78Å; W97-F129 HydrophobicContact CB-CG 3.96Å; W97-F129 AromaticContact CD1-CD1 3.31Å; W97-F129 AromaticContact CD1-CD2 3.67Å; W97-F129 AromaticContact CD1-CE1 3.33Å; W97-F129 AromaticContact CD1-CE2 3.72Å; W97-F129 AromaticContact CD1-CG 3.48Å; W97-F129 VanDerWaalsContact CD1-CG 3.48Å; W97-F129 AromaticContact CD1-CZ 3.54Å; W97-F129 HydrophobicContact CD2-CB 3.71Å; W97-F129 HydrophobicContact CD2-CD1 4.15Å; W97-F129 AromaticContact CD2-CD2 3.68Å; W97-F129 HydrophobicContact CD2-CD2 3.68Å; W97-F129 HydrophobicContact CD2-CE2 4.36Å; W97-F129 AromaticContact CD2-CG 3.56Å; W97-F129 HydrophobicContact CD2-CG 3.56Å; W97-F129 AromaticContact CE2-CD2 3.31Å; W97-F129 AromaticContact CE2-CE2 3.65Å; W97-F129 AromaticContact CE2-CG 3.71Å; W97-F129 HydrophobicContact CE3-CB 3.93Å; W97-F129 HydrophobicContact CE3-CD2 4.41Å; W97-F129 HydrophobicContact CE3-CG 4.27Å; W97-F129 HydrophobicContact CG-CB 3.75Å; W97-F129 AromaticContact CG-CD1 3.47Å; W97-F129 HydrophobicContact CG-CD1 3.47Å; W97-F129 VanDerWaalsContact CG-CD1 3.47Å; W97-F129 AromaticContact CG-CD2 3.87Å; W97-F129 HydrophobicContact CG-CD2 3.87Å; W97-F129 AromaticContact CG-CE1 3.99Å; W97-F129 HydrophobicContact CG-CE1 3.99Å; W97-F129 HydrophobicContact CG-CE2 4.37Å; W97-F129 AromaticContact CG-CG 3.4Å; W97-F129 HydrophobicContact CG-CG 3.4Å; W97-F129 HydrophobicContact CG-CZ 4.41Å; W97-F129 HydrophobicContact CH2-CD2 4.46Å; W97-F129 AromaticContact CZ2-CD2 3.74Å; W97-F129 HydrophobicContact CZ2-CD2 3.74Å; W97-F129 HydrophobicContact CZ2-CE2 4.1Å; W97-F129 HydrophobicContact CZ2-CG 4.47Å; W97-F129 AromaticContact NE1-CD1 3.88Å; W97-F129 AromaticContact NE1-CD2 3.33Å; W97-F129 VanDerWaalsContact NE1-CD2 3.33Å; W97-F129 AromaticContact NE1-CE1 3.76Å; W97-F129 AromaticContact NE1-CE2 3.22Å; W97-F129 AromaticContact NE1-CG 3.67Å; W97-F129 AromaticContact NE1-CZ 3.43Å
98L96.9Very high92.8Very high19 Ų1955.6 Ų55.610%0.09926%0.257CS..EExtended strand (participates in β ladder)trans-99.7115.8170-173.168.5000109.3L33 Q89 I91 T107 F109L33-L98 HydrophobicContact CD1-CD1 4.05Å; L33-L98 HydrophobicContact CD1-CD2 4.45Å; Q89-L98 PolarHBondContact N-O 2.64Å; Q89-L98 PolarHBondContact O-N 3.48Å; I91-L98 HydrophobicContact CD1-CB 3.49Å; I91-L98 VanDerWaalsContact CD1-CB 3.49Å; I91-L98 HydrophobicContact CD1-CD2 3.94Å; I91-L98 HydrophobicContact CD1-CG 4.31Å; I91-L98 HydrophobicContact CG1-CB 4.15Å; L98-T107 HydrophobicContact CD1-CG2 4.25Å; L98-F109 HydrophobicContact CD1-CB 4.4Å
99V95.4Very high92.9Very high0 Ų055 Ų550%025%0.251CS..EExtended strand (participates in β ladder)trans-96.8117.1177.3-172.80000108.8I86 T87 A88 Y101 T107 T108 I110 F129I86-V99 HydrophobicContact CG2-CG1 3.57Å; T87-V99 CarbonylContact O-C 3.58Å; T87-V99 WeakPolarHBondContact O-CA 3.35Å; A88-V99 HydrophobicContact CB-CG2 4.27Å; V99-Y101 HydrophobicContact CG1-CE1 3.75Å; V99-T107 CarbonylContact O-C 3.58Å; V99-T107 WeakPolarHBondContact O-CA 3.46Å; V99-T108 PolarHBondContact N-O 2.8Å; V99-T108 PolarHBondContact O-N 3.08Å; V99-I110 HydrophobicContact CG2-CD1 3.67Å; V99-I110 HydrophobicContact CG2-CG1 4.33Å; V99-F129 WeakPolarHBondContact CG2-O 3.32Å
100N93.9Very high92.9Very high55 Ų5549.8 Ų49.829%0.29423%0.227SC..EExtended strand (participates in β ladder)trans-99.9144.4176.6-69.3-85.5000109.9I86 T87 T107I86-N100 WeakPolarHBondContact CA-O 3.41Å; T87-N100 PolarHBondContact N-O 3.48Å; T87-N100 PolarHBondContact O-N 3.06Å; N100-T107 VanDerWaalsContact OD1-CG2 3.31Å; N100-T107 WeakPolarHBondContact OD1-CG2 3.35Å
101Y90.6Very high92.8Very high15 Ų1547 Ų476%0.05922%0.215CC..EExtended strand (participates in β ladder)trans-117.7157.6177.8-50.2-76.6000110.6D85 I86 V99 S103 V106 T108 G133 R137D85-Y101 CarbonylContact O-C 3.44Å; D85-Y101 VanDerWaalsContact O-CA 3.32Å; D85-Y101 WeakPolarHBondContact O-CA 3.45Å; I86-Y101 HydrophobicContact CG1-CD1 3.86Å; I86-Y101 HydrophobicContact CG1-CE1 4.16Å; V99-Y101 HydrophobicContact CG1-CE1 3.75Å; Y101-S103 CarbonylContact O-C 3.59Å; Y101-S103 PolarHBondContact O-N 2.89Å; Y101-V106 HydrophobicContact CD2-CB 4.27Å; Y101-V106 HydrophobicContact CD2-CG1 4.01Å; Y101-V106 WeakPolarHBondContact CD2-O 3.34Å; Y101-V106 HydrophobicContact CE2-CG1 4.37Å; Y101-T108 WeakPolarHBondContact OH-CB 3.32Å; Y101-T108 PolarHBondContact OH-OG1 2.79Å; Y101-G133 PolarHBondContact OH-O 3.02Å; Y101-R137 HydrophobicContact CE2-CB 4.39Å; Y101-R137 HydrophobicContact CE2-CG 4.23Å
102K85.6Confident92.3Very high176 Ų17647.6 Ų47.677%0.76522%0.219SC*.SBendtrans-51.3-32.2170.5-179.7175.5-177.1175.70113.3D85 R104D85-K102 HydrophobicContact CB-CB 3.85Å; D85-K102 PolarHBondContact O-N 2.78Å; K102-R104 PolarHBondContact O-N 3.37Å
103S82.4Confident91.7Very high31 Ų3148.7 Ų48.722%0.21722%0.22CC..SBendtrans-69.995.9168.6175.60000109.5K70 C74 Y101 V106K70-S103 VanDerWaalsContact CE-OG 3.24Å; K70-S103 WeakPolarHBondContact CE-OG 3.39Å; K70-S103 PolarHBondContact NZ-OG 3.2Å; C74-S103 VanDerWaalsContact SG-CB 3.51Å; Y101-S103 CarbonylContact O-C 3.59Å; Y101-S103 PolarHBondContact O-N 2.89Å; S103-V106 PolarHBondContact O-N 3.08Å
104R83.8Confident90.3Very high216 Ų21643.6 Ų43.682%0.81522%0.218SC*.THydrogen-bonded Turntrans-45.3143.6172.8-62.7-169.3-174.3-155.42.4111.2K70 K102 V106K70-R104 WeakPolarHBondContact CE-O 3.38Å; K70-R104 PolarHBondContact NZ-O 3.46Å; K70-R104 VanDerWaalsContact NZ-O 3.16Å; K102-R104 PolarHBondContact O-N 3.37Å; R104-V106 PolarHBondContact O-N 2.92Å
105R90.5Very high89Confident89 Ų8945.2 Ų45.234%0.33623%0.226SC..THydrogen-bonded Turntrans66.919.4179.4-62.5-177.1173156.1-3.1114.7V49 V50 N52 E53V49-R105 CarbonylContact C-O 3.6Å; V49-R105 WeakPolarHBondContact CA-O 3.31Å; V50-R105 HydrophobicContact CB-CB 3.96Å; V50-R105 HydrophobicContact CB-CG 4.21Å; V50-R105 PolarHBondContact N-O 3.03Å; V50-R105 WeakPolarHBondContact O-CB 3.36Å; N52-R105 PolarHBondContact OD1-NH1 3.35Å; E53-R105 IonicContact OE1-NH2 2.93Å; E53-R105 PolarHBondContact OE1-NH2 3.1Å
106V94.9Very high87.7Confident1 Ų146 Ų461%0.00624%0.237CC..EExtended strand (participates in β ladder)trans-120.6127.1166.1-173.10000106.9T47 A48 V49 K70 L71 C74 Y101 S103 R104T47-V106 HydrophobicContact CG2-CG1 3.75Å; A48-V106 WeakPolarHBondContact O-CA 3.21Å; V49-V106 HydrophobicContact CG2-CG2 4.3Å; K70-V106 HydrophobicContact CD-CG2 4.42Å; K70-V106 HydrophobicContact CG-CG2 3.95Å; L71-V106 HydrophobicContact CD1-CG1 4.48Å; C74-V106 HydrophobicContact CB-CG1 4.5Å; C74-V106 HydrophobicContact CB-CG2 4.41Å; Y101-V106 HydrophobicContact CD2-CB 4.27Å; Y101-V106 HydrophobicContact CD2-CG1 4.01Å; Y101-V106 WeakPolarHBondContact CD2-O 3.34Å; Y101-V106 HydrophobicContact CE2-CG1 4.37Å; S103-V106 PolarHBondContact O-N 3.08Å; R104-V106 PolarHBondContact O-N 2.92Å
107T97.1Very high86.5Confident19 Ų1947.5 Ų47.512%0.11725%0.245CC..EExtended strand (participates in β ladder)trans-140.9155.4178.154.90000109.7Y30 T47 A48 L98 V99 N100Y30-T107 WeakPolarHBondContact CE1-OG1 3.44Å; Y30-T107 PolarHBondContact OH-O 3.33Å; Y30-T107 PolarHBondContact OH-OG1 2.91Å; T47-T107 CarbonylContact C-O 3.55Å; T47-T107 VanDerWaalsContact CA-O 3.22Å; T47-T107 WeakPolarHBondContact CA-O 3.47Å; T47-T107 WeakPolarHBondContact CG2-O 3.34Å; A48-T107 PolarHBondContact N-O 3.1Å; A48-T107 PolarHBondContact O-N 3.32Å; A48-T107 VanDerWaalsContact O-N 3.09Å; L98-T107 HydrophobicContact CD1-CG2 4.25Å; V99-T107 CarbonylContact O-C 3.58Å; V99-T107 WeakPolarHBondContact O-CA 3.46Å; N100-T107 VanDerWaalsContact OD1-CG2 3.31Å; N100-T107 WeakPolarHBondContact OD1-CG2 3.35Å
108T96.6Very high85Confident0 Ų050.7 Ų50.70%026%0.259CS..EExtended strand (participates in β ladder)trans-123.9125.2170.2-610000108.7G46 T47 V99 Y101 I110 L136G46-T108 WeakPolarHBondContact O-CA 3.4Å; T47-T108 PolarHBondContact OG1-OG1 3.49Å; V99-T108 PolarHBondContact N-O 2.8Å; V99-T108 PolarHBondContact O-N 3.08Å; Y101-T108 WeakPolarHBondContact OH-CB 3.32Å; Y101-T108 PolarHBondContact OH-OG1 2.79Å; T108-I110 HydrophobicContact CG2-CG1 4.18Å; T108-L136 HydrophobicContact CG2-CB 4.06Å; T108-L136 HydrophobicContact CG2-CD1 4.36Å
109F97Very high83.3Confident1 Ų158.1 Ų58.10%0.00430%0.299CS..EExtended strand (participates in β ladder)trans-97.6135.2175.1-178-98000109.8L26 V29 Y30 G46 L94 W97 L98 P111L26-F109 HydrophobicContact CD2-CD1 3.99Å; V29-F109 HydrophobicContact CB-CD1 4.12Å; V29-F109 HydrophobicContact CB-CE1 4.14Å; V29-F109 HydrophobicContact CB-CG 4.47Å; V29-F109 HydrophobicContact CG1-CB 4.19Å; V29-F109 HydrophobicContact CG1-CD1 3.64Å; V29-F109 HydrophobicContact CG1-CD2 3.66Å; V29-F109 HydrophobicContact CG1-CE1 3.84Å; V29-F109 HydrophobicContact CG1-CE2 3.86Å; V29-F109 HydrophobicContact CG1-CG 3.53Å; V29-F109 HydrophobicContact CG1-CZ 3.93Å; V29-F109 HydrophobicContact CG2-CD1 3.99Å; V29-F109 HydrophobicContact CG2-CE1 3.52Å; V29-F109 HydrophobicContact CG2-CZ 3.84Å; Y30-F109 HydrophobicContact CE2-CB 3.88Å; Y30-F109 PolarHBondContact OH-N 3Å; G46-F109 PolarHBondContact O-N 3.43Å; L94-F109 HydrophobicContact CB-CE2 3.88Å; L94-F109 HydrophobicContact CB-CZ 3.84Å; L94-F109 HydrophobicContact CD1-CE2 4.1Å; L94-F109 WeakPolarHBondContact O-CZ 3.05Å; W97-F109 CarbonylContact O-C 3.49Å; W97-F109 WeakPolarHBondContact O-CA 3.42Å; L98-F109 HydrophobicContact CD1-CB 4.4Å; F109-P111 HydrophobicContact CD1-CG 4.13Å; F109-P111 HydrophobicContact CE1-CB 4.29Å; F109-P111 HydrophobicContact CE1-CG 3.86Å
110I94.7Very high81.8Confident3 Ų362.2 Ų62.22%0.01534%0.342CS..EExtended strand (participates in β ladder)trans-126.5103.8-173.8-54.1179.5000108.3G96 W97 V99 T108 I115 F129 L132 L136G96-I110 CarbonylContact C-O 3.44Å; G96-I110 WeakPolarHBondContact CA-O 3.21Å; W97-I110 HydrophobicContact CB-CB 4.31Å; W97-I110 PolarHBondContact N-O 2.88Å; W97-I110 PolarHBondContact O-N 2.86Å; V99-I110 HydrophobicContact CG2-CD1 3.67Å; V99-I110 HydrophobicContact CG2-CG1 4.33Å; T108-I110 HydrophobicContact CG2-CG1 4.18Å; I110-I115 HydrophobicContact CG2-CD1 3.09Å; I110-I115 HydrophobicContact CG2-CG1 4.37Å; I110-F129 HydrophobicContact CB-CD1 4.34Å; I110-F129 HydrophobicContact CD1-CD1 4.32Å; I110-F129 WeakPolarHBondContact CD1-O 3.48Å; I110-F129 HydrophobicContact CG2-CD1 3.94Å; I110-F129 HydrophobicContact CG2-CE1 4.08Å; I110-L132 HydrophobicContact CD1-CB 4.21Å; I110-L132 HydrophobicContact CD1-CD2 4.36Å; I110-L132 HydrophobicContact CD1-CG 4.13Å; I110-L132 HydrophobicContact CG2-CD2 3.95Å; I110-L136 HydrophobicContact CD1-CD1 4.24Å; I110-L136 HydrophobicContact CG1-CD1 4.03Å
111P91.6Very high80.6Confident10 Ų1062.7 Ų62.77%0.06534%0.342CS..EExtended strand (participates in β ladder)trans-63.3139.1173.5-17.930.3000111.6L26 F109 D113 I115L26-P111 HydrophobicContact CD2-CG 4.17Å; F109-P111 HydrophobicContact CD1-CG 4.13Å; F109-P111 HydrophobicContact CE1-CB 4.29Å; F109-P111 HydrophobicContact CE1-CG 3.86Å; P111-D113 WeakPolarHBondContact CB-OD1 3.45Å; P111-I115 WeakPolarHBondContact O-CD1 3.46Å
112V85.8Confident79.8Confident22 Ų2266 Ų6613%0.13336%0.361CS..SBendtrans-77.1-30.9176.5173.40000111.7D95 G114 I115 K123 F129D95-V112 PolarHBondContact O-N 2.99Å; V112-G114 PolarHBondContact O-N 3.01Å; V112-I115 PolarHBondContact O-N 3.2Å; V112-K123 HydrophobicContact CG1-CD 4.26Å; V112-F129 HydrophobicContact CG2-CZ 4.41Å
113D79.4Confident79.3Confident116 Ų11663.3 Ų63.362%0.6235%0.349SS*.THydrogen-bonded Turntrans-63-24.3-179.463.9-14.3000114P111P111-D113 WeakPolarHBondContact CB-OD1 3.45Å
114G63.5Low79.3Confident56 Ų5666.7 Ų66.758%0.57737%0.365SS*.THydrogen-bonded Turntrans-95.1-2.1-178.500000116V112V112-G114 PolarHBondContact O-N 3.01Å
115I67.7Low79.5Confident35 Ų3558.8 Ų58.818%0.17934%0.339CS..  trans-110.8115.3-171.3-60.5169000111.7I110 P111 V112 L117 F129 L132I110-I115 HydrophobicContact CG2-CD1 3.09Å; I110-I115 HydrophobicContact CG2-CG1 4.37Å; P111-I115 WeakPolarHBondContact O-CD1 3.46Å; V112-I115 PolarHBondContact O-N 3.2Å; I115-L117 HydrophobicContact CG2-CD2 3.54Å; I115-L117 HydrophobicContact CG2-CG 3.76Å; I115-L117 PolarHBondContact O-N 3.36Å; I115-F129 HydrophobicContact CD1-CE1 3.81Å; I115-L132 HydrophobicContact CD1-CD2 3.39Å; I115-L132 HydrophobicContact CG1-CD2 4.27Å; I115-L132 HydrophobicContact CG2-CD2 4.46Å
116S65.3Low79.6Confident93 Ų9357.8 Ų57.865%0.6534%0.344SS*.  trans-79.391.2156.8-65.40000108.5S16S16-S116 PolarHBondContact OG-O 3.05Å
117L67.2Low79.3Confident32 Ų3264.6 Ų64.617%0.16838%0.377CS..  trans-65.6146.3166-70.4-178.4000108.5I115 E121 K123 T128 F129I115-L117 HydrophobicContact CG2-CD2 3.54Å; I115-L117 HydrophobicContact CG2-CG 3.76Å; I115-L117 PolarHBondContact O-N 3.36Å; L117-E121 HydrophobicContact CB-CB 3.88Å; L117-E121 HydrophobicContact CD1-CB 4.28Å; L117-E121 HydrophobicContact CD2-CB 4.36Å; L117-E121 HydrophobicContact CG-CB 4.4Å; L117-K123 HydrophobicContact CD1-CB 4.3Å; L117-K123 HydrophobicContact CD1-CG 3.71Å; L117-T128 HydrophobicContact CD2-CG2 3.84Å; L117-F129 HydrophobicContact CD1-CE2 4.23Å; L117-F129 HydrophobicContact CD1-CZ 4.15Å
118K65.6Low79Confident75 Ų7565 Ų6533%0.32638%0.38SS..  trans-69.3160.4177.9-65.7179.4-163.8158.90110.7T12 G120 E121T12-K118 HydrophobicContact CG2-CD 4.19Å; T12-K118 WeakPolarHBondContact O-CE 3.46Å; T12-K118 PolarHBondContact O-NZ 3.12Å; K118-G120 PolarHBondContact O-N 3.5Å; K118-E121 HydrophobicContact CB-CG 4.49Å; K118-E121 PolarHBondContact N-OE2 3.38Å; K118-E121 PolarHBondContact O-N 3.2Å
119N61Low78.7Confident176 Ų17665.1 Ų65.194%0.94138%0.38SS*.THydrogen-bonded Turntrans-49115.3172.7-63.9-6.7000110.5
120G63.4Low78.5Confident86 Ų8665.1 Ų65.189%0.88738%0.381SS*.THydrogen-bonded Turntrans98.2-10.2177.400000116K118K118-G120 PolarHBondContact O-N 3.5Å
121E68.5Low78.2Confident65 Ų6568.4 Ų68.430%0.30440%0.398SS..  trans-75124.8169.7-76.1172171.800109.3L117 K118 T128L117-E121 HydrophobicContact CB-CB 3.88Å; L117-E121 HydrophobicContact CD1-CB 4.28Å; L117-E121 HydrophobicContact CD2-CB 4.36Å; L117-E121 HydrophobicContact CG-CB 4.4Å; K118-E121 HydrophobicContact CB-CG 4.49Å; K118-E121 PolarHBondContact N-OE2 3.38Å; K118-E121 PolarHBondContact O-N 3.2Å; E121-T128 HydrophobicContact CG-CG2 4.48Å
122D73.4Confident78.1Confident85 Ų8568.8 Ų68.846%0.45540%0.4SS..  trans-79.7128.4179.8-174.4-0.8000110N124 D125D122-N124 PolarHBondContact O-N 3.46Å; D122-N124 WeakPolarHBondContact OD1-CB 3.34Å; D122-N124 PolarHBondContact OD1-N 3.44Å; D122-N124 PolarHBondContact OD1-ND2 3.11Å; D122-D125 HydrophobicContact CB-CB 4.05Å; D122-D125 PolarHBondContact O-N 2.97Å
123K76.4Confident78.4Confident118 Ų11867.8 Ų67.851%0.51339%0.393SS..THydrogen-bonded Turntrans-60.3-13.2171.5-69.7-175.7176.5-169.50112.7W97 V112 L117 F129W97-K123 PolarHBondContact NE1-O 3.43Å; V112-K123 HydrophobicContact CG1-CD 4.26Å; L117-K123 HydrophobicContact CD1-CB 4.3Å; L117-K123 HydrophobicContact CD1-CG 3.71Å; K123-F129 VanDerWaalsContact O-CE2 3.29Å; K123-F129 WeakPolarHBondContact O-CE2 3.43Å
124N82.2Confident78.9Confident102 Ų10264.5 Ų64.555%0.54537%0.372SS..THydrogen-bonded Turntrans-1032.4177.8-53.7-66.3000114.1W97 D122 P126W97-N124 WeakPolarHBondContact CH2-O 3.22Å; D122-N124 PolarHBondContact O-N 3.46Å; D122-N124 WeakPolarHBondContact OD1-CB 3.34Å; D122-N124 PolarHBondContact OD1-N 3.44Å; D122-N124 PolarHBondContact OD1-ND2 3.11Å; N124-P126 VanDerWaalsContact O-CD 3.23Å; N124-P126 WeakPolarHBondContact O-CD 3.18Å
125D88.5Confident80.2Confident51 Ų5164.4 Ų64.427%0.27336%0.358SS..  trans-84.2111.6-176.5173.331.4000113.1D122 M127 T128 F129D122-D125 HydrophobicContact CB-CB 4.05Å; D122-D125 PolarHBondContact O-N 2.97Å; D125-M127 PolarHBondContact O-N 3.34Å; D125-M127 WeakPolarHBondContact OD1-CB 3.38Å; D125-M127 PolarHBondContact OD1-N 3.05Å; D125-T128 PolarHBondContact O-N 2.8Å; D125-T128 VanDerWaalsContact OD2-CB 3.3Å; D125-T128 WeakPolarHBondContact OD2-CB 3.44Å; D125-T128 PolarHBondContact OD2-N 2.83Å; D125-T128 PolarHBondContact OD2-OG1 3.01Å; D125-F129 WeakPolarHBondContact O-CD2 3.23Å; D125-F129 PolarHBondContact O-N 2.91Å
126P91Very high81.4Confident68 Ų6863.7 Ų63.744%0.44235%0.354SS..Hα-helixtrans-61.3-28.5177.6-19.732.9000113.7A88 W97 N124 G130A88-P126 HydrophobicContact CB-CB 4.31Å; A88-P126 VanDerWaalsContact CB-O 3.25Å; A88-P126 WeakPolarHBondContact CB-O 3.44Å; W97-P126 HydrophobicContact CH2-CB 4.13Å; W97-P126 HydrophobicContact CH2-CG 3.84Å; W97-P126 HydrophobicContact CZ3-CB 3.79Å; W97-P126 HydrophobicContact CZ3-CG 3.93Å; N124-P126 VanDerWaalsContact O-CD 3.23Å; N124-P126 WeakPolarHBondContact O-CD 3.18Å; P126-G130 PolarHBondContact O-N 2.85Å
127M89.8Confident82.8Confident144 Ų14459.5 Ų59.571%0.70932%0.324SS*.Hα-helixtrans-68.9-45.5-179-173.2177-70.200111D125 G130 L131D125-M127 PolarHBondContact O-N 3.34Å; D125-M127 WeakPolarHBondContact OD1-CB 3.38Å; D125-M127 PolarHBondContact OD1-N 3.05Å; M127-G130 PolarHBondContact O-N 3.17Å; M127-L131 PolarHBondContact O-N 2.96Å
128T89.5Confident84Confident28 Ų2860.1 Ų60.117%0.17233%0.334CS..Hα-helixtrans-55.8-51.8175-66.40000111.3L117 E121 D125 G130 L131 L132L117-T128 HydrophobicContact CD2-CG2 3.84Å; E121-T128 HydrophobicContact CG-CG2 4.48Å; D125-T128 PolarHBondContact O-N 2.8Å; D125-T128 VanDerWaalsContact OD2-CB 3.3Å; D125-T128 WeakPolarHBondContact OD2-CB 3.44Å; D125-T128 PolarHBondContact OD2-N 2.83Å; D125-T128 PolarHBondContact OD2-OG1 3.01Å; T128-G130 PolarHBondContact O-N 3.22Å; T128-L131 PolarHBondContact O-N 3.22Å; T128-L132 PolarHBondContact O-N 3.41Å
129F91.5Very high85.3Confident1 Ų158.7 Ų58.70%0.00433%0.328CS..Hα-helixtrans-70.1-32.1-179.9-75.3-84.3000113.2A88 W97 V99 I110 V112 I115 L117 K123 D125 L132 G133A88-F129 HydrophobicContact CB-CB 4.16Å; W97-F129 HydrophobicContact CB-CB 3.98Å; W97-F129 HydrophobicContact CB-CD1 3.78Å; W97-F129 HydrophobicContact CB-CG 3.96Å; W97-F129 AromaticContact CD1-CD1 3.31Å; W97-F129 AromaticContact CD1-CD2 3.67Å; W97-F129 AromaticContact CD1-CE1 3.33Å; W97-F129 AromaticContact CD1-CE2 3.72Å; W97-F129 AromaticContact CD1-CG 3.48Å; W97-F129 VanDerWaalsContact CD1-CG 3.48Å; W97-F129 AromaticContact CD1-CZ 3.54Å; W97-F129 HydrophobicContact CD2-CB 3.71Å; W97-F129 HydrophobicContact CD2-CD1 4.15Å; W97-F129 AromaticContact CD2-CD2 3.68Å; W97-F129 HydrophobicContact CD2-CD2 3.68Å; W97-F129 HydrophobicContact CD2-CE2 4.36Å; W97-F129 AromaticContact CD2-CG 3.56Å; W97-F129 HydrophobicContact CD2-CG 3.56Å; W97-F129 AromaticContact CE2-CD2 3.31Å; W97-F129 AromaticContact CE2-CE2 3.65Å; W97-F129 AromaticContact CE2-CG 3.71Å; W97-F129 HydrophobicContact CE3-CB 3.93Å; W97-F129 HydrophobicContact CE3-CD2 4.41Å; W97-F129 HydrophobicContact CE3-CG 4.27Å; W97-F129 HydrophobicContact CG-CB 3.75Å; W97-F129 AromaticContact CG-CD1 3.47Å; W97-F129 HydrophobicContact CG-CD1 3.47Å; W97-F129 VanDerWaalsContact CG-CD1 3.47Å; W97-F129 AromaticContact CG-CD2 3.87Å; W97-F129 HydrophobicContact CG-CD2 3.87Å; W97-F129 AromaticContact CG-CE1 3.99Å; W97-F129 HydrophobicContact CG-CE1 3.99Å; W97-F129 HydrophobicContact CG-CE2 4.37Å; W97-F129 AromaticContact CG-CG 3.4Å; W97-F129 HydrophobicContact CG-CG 3.4Å; W97-F129 HydrophobicContact CG-CZ 4.41Å; W97-F129 HydrophobicContact CH2-CD2 4.46Å; W97-F129 AromaticContact CZ2-CD2 3.74Å; W97-F129 HydrophobicContact CZ2-CD2 3.74Å; W97-F129 HydrophobicContact CZ2-CE2 4.1Å; W97-F129 HydrophobicContact CZ2-CG 4.47Å; W97-F129 AromaticContact NE1-CD1 3.88Å; W97-F129 AromaticContact NE1-CD2 3.33Å; W97-F129 VanDerWaalsContact NE1-CD2 3.33Å; W97-F129 AromaticContact NE1-CE1 3.76Å; W97-F129 AromaticContact NE1-CE2 3.22Å; W97-F129 AromaticContact NE1-CG 3.67Å; W97-F129 AromaticContact NE1-CZ 3.43Å; V99-F129 WeakPolarHBondContact CG2-O 3.32Å; I110-F129 HydrophobicContact CB-CD1 4.34Å; I110-F129 HydrophobicContact CD1-CD1 4.32Å; I110-F129 WeakPolarHBondContact CD1-O 3.48Å; I110-F129 HydrophobicContact CG2-CD1 3.94Å; I110-F129 HydrophobicContact CG2-CE1 4.08Å; V112-F129 HydrophobicContact CG2-CZ 4.41Å; I115-F129 HydrophobicContact CD1-CE1 3.81Å; L117-F129 HydrophobicContact CD1-CE2 4.23Å; L117-F129 HydrophobicContact CD1-CZ 4.15Å; K123-F129 VanDerWaalsContact O-CE2 3.29Å; K123-F129 WeakPolarHBondContact O-CE2 3.43Å; D125-F129 WeakPolarHBondContact O-CD2 3.23Å; D125-F129 PolarHBondContact O-N 2.91Å; F129-L132 PolarHBondContact O-N 2.86Å; F129-G133 PolarHBondContact O-N 3.3Å
130G91.8Very high87Confident2 Ų250.3 Ų50.32%0.02128%0.283CS..Hα-helixtrans-62.5-43.7172.900000112.6P126 M127 T128 R134P126-G130 PolarHBondContact O-N 2.85Å; M127-G130 PolarHBondContact O-N 3.17Å; T128-G130 PolarHBondContact O-N 3.22Å; G130-R134 PolarHBondContact O-N 3.09Å; G130-R134 VanDerWaalsContact O-N 3.08Å
131L89.5Confident88.5Confident71 Ų7146.7 Ų46.737%0.37225%0.245SC..Hα-helixtrans-67-44.5175.6179.459.5000111.7L13 M127 T128 G133 R134 I135L13-L131 HydrophobicContact CD1-CD2 4.39Å; M127-L131 PolarHBondContact O-N 2.96Å; T128-L131 PolarHBondContact O-N 3.22Å; L131-G133 VanDerWaalsContact C-N 3.33Å; L131-G133 PolarHBondContact O-N 3.24Å; L131-R134 WeakPolarHBondContact O-CB 3.39Å; L131-R134 PolarHBondContact O-N 3.07Å; L131-R134 VanDerWaalsContact O-N 3.1Å; L131-I135 HydrophobicContact CG-CD1 4.3Å; L131-I135 WeakPolarHBondContact O-CG1 3.22Å; L131-I135 PolarHBondContact O-N 3.45Å; L131-I135 VanDerWaalsContact O-N 3.07Å
132L89.5Confident89.8Confident19 Ų1951.4 Ų51.410%0.09927%0.267CS..Hα-helixtrans-59.7-44.9177.1-178.657.5000111.4I17 I110 I115 T128 F129 R134 I135 L136I17-L132 HydrophobicContact CD1-CD1 3.95Å; I17-L132 HydrophobicContact CG1-CD1 4.2Å; I110-L132 HydrophobicContact CD1-CB 4.21Å; I110-L132 HydrophobicContact CD1-CD2 4.36Å; I110-L132 HydrophobicContact CD1-CG 4.13Å; I110-L132 HydrophobicContact CG2-CD2 3.95Å; I115-L132 HydrophobicContact CD1-CD2 3.39Å; I115-L132 HydrophobicContact CG1-CD2 4.27Å; I115-L132 HydrophobicContact CG2-CD2 4.46Å; T128-L132 PolarHBondContact O-N 3.41Å; F129-L132 PolarHBondContact O-N 2.86Å; L132-R134 VanDerWaalsContact C-N 3.27Å; L132-R134 PolarHBondContact O-N 3.44Å; L132-I135 WeakPolarHBondContact O-CB 3.49Å; L132-I135 PolarHBondContact O-N 2.97Å; L132-I135 VanDerWaalsContact O-N 3.09Å; L132-L136 HydrophobicContact CD1-CD1 4.3Å; L132-L136 HydrophobicContact CD1-CG 4.22Å; L132-L136 HydrophobicContact CG-CD1 4.03Å; L132-L136 HydrophobicContact CG-CG 4.4Å; L132-L136 WeakPolarHBondContact O-CG 3.42Å; L132-L136 PolarHBondContact O-N 3.34Å
133G92.4Very high90.9Very high0 Ų051.1 Ų51.10%026%0.263CS..Hα-helixtrans-60.1-37174.700000112.7Y101 F129 L131 I135 R137Y101-G133 PolarHBondContact OH-O 3.02Å; F129-G133 PolarHBondContact O-N 3.3Å; L131-G133 VanDerWaalsContact C-N 3.33Å; L131-G133 PolarHBondContact O-N 3.24Å; G133-I135 VanDerWaalsContact C-N 3.33Å; G133-I135 PolarHBondContact O-N 2.92Å; G133-R137 VanDerWaalsContact O-CB 3.23Å; G133-R137 WeakPolarHBondContact O-CB 3.4Å; G133-R137 PolarHBondContact O-N 2.98Å
134R90.3Very high91.9Very high48 Ų4847 Ų4718%0.18125%0.246CC..Hα-helixtrans-61.9-41.7174.3-176-179.5178.6153.81.9111.8T81 I86 G130 L131 L132 A138T81-R134 PolarHBondContact O-NH1 2.88Å; I86-R134 HydrophobicContact CD1-CB 3.97Å; I86-R134 HydrophobicContact CD1-CG 4.18Å; G130-R134 PolarHBondContact O-N 3.09Å; G130-R134 VanDerWaalsContact O-N 3.08Å; L131-R134 WeakPolarHBondContact O-CB 3.39Å; L131-R134 PolarHBondContact O-N 3.07Å; L131-R134 VanDerWaalsContact O-N 3.1Å; L132-R134 VanDerWaalsContact C-N 3.27Å; L132-R134 PolarHBondContact O-N 3.44Å; R134-A138 WeakPolarHBondContact O-CB 3.47Å; R134-A138 PolarHBondContact O-N 3.35Å
135I90.5Very high92.6Very high54 Ų5445 Ų4528%0.27724%0.235SC..Hα-helixtrans-66.1-49.5178.2-64.7165.5000110.3L13 I17 L131 L132 G133 R137 A138 K139L13-I135 HydrophobicContact CD1-CD1 4.45Å; L13-I135 HydrophobicContact CD2-CD1 4.32Å; I17-I135 HydrophobicContact CD1-CG2 3.78Å; L131-I135 HydrophobicContact CG-CD1 4.3Å; L131-I135 WeakPolarHBondContact O-CG1 3.22Å; L131-I135 PolarHBondContact O-N 3.45Å; L131-I135 VanDerWaalsContact O-N 3.07Å; L132-I135 WeakPolarHBondContact O-CB 3.49Å; L132-I135 PolarHBondContact O-N 2.97Å; L132-I135 VanDerWaalsContact O-N 3.09Å; G133-I135 VanDerWaalsContact C-N 3.33Å; G133-I135 PolarHBondContact O-N 2.92Å; I135-R137 PolarHBondContact O-N 3.47Å; I135-A138 WeakPolarHBondContact O-CB 2.88Å; I135-A138 PolarHBondContact O-N 2.83Å; I135-A138 VanDerWaalsContact O-N 3.13Å; I135-K139 PolarHBondContact O-N 3.33Å
136L92.7Very high93.1Very high19 Ų1944.3 Ų44.310%0.09923%0.231CC..Hα-helixtrans-62.5-42.7179.9-65.4172.9000112.1I17 N45 T108 I110 L132 A138 K139 D140I17-L136 HydrophobicContact CG2-CD2 3.8Å; N45-L136 HydrophobicContact CB-CB 4.28Å; N45-L136 HydrophobicContact CB-CD2 4.14Å; T108-L136 HydrophobicContact CG2-CB 4.06Å; T108-L136 HydrophobicContact CG2-CD1 4.36Å; I110-L136 HydrophobicContact CD1-CD1 4.24Å; I110-L136 HydrophobicContact CG1-CD1 4.03Å; L132-L136 HydrophobicContact CD1-CD1 4.3Å; L132-L136 HydrophobicContact CD1-CG 4.22Å; L132-L136 HydrophobicContact CG-CD1 4.03Å; L132-L136 HydrophobicContact CG-CG 4.4Å; L132-L136 WeakPolarHBondContact O-CG 3.42Å; L132-L136 PolarHBondContact O-N 3.34Å; L136-A138 VanDerWaalsContact C-N 3.32Å; L136-A138 PolarHBondContact O-N 2.96Å; L136-K139 WeakPolarHBondContact O-CB 3.48Å; L136-K139 PolarHBondContact O-N 3.39Å; L136-D140 PolarHBondContact O-N 3.1Å
137R93.9Very high93.4Very high5 Ų542.7 Ų42.72%0.01922%0.219CC..Hα-helixtrans-61-40173.1-176.5-162.764.9173.90.5112.4T47 L71 C74 Y101 G133 I135 K139 D140 A141T47-R137 HydrophobicContact CG2-CG 4.13Å; T47-R137 WeakPolarHBondContact OG1-CA 3.25Å; L71-R137 HydrophobicContact CD1-CG 3.86Å; C74-R137 PolarHBondContact O-NH1 2.8Å; C74-R137 PolarHBondContact SG-NH1 2.89Å; Y101-R137 HydrophobicContact CE2-CB 4.39Å; Y101-R137 HydrophobicContact CE2-CG 4.23Å; G133-R137 VanDerWaalsContact O-CB 3.23Å; G133-R137 WeakPolarHBondContact O-CB 3.4Å; G133-R137 PolarHBondContact O-N 2.98Å; I135-R137 PolarHBondContact O-N 3.47Å; R137-K139 VanDerWaalsContact C-N 3.35Å; R137-D140 PolarHBondContact O-N 3.32Å; R137-A141 WeakPolarHBondContact O-CB 3.46Å; R137-A141 PolarHBondContact O-N 2.61Å
138A92.5Very high93.8Very high45 Ų4537.4 Ų37.437%0.37219%0.192SC..Hα-helixtrans-64.3-42.9177.300000110.9R134 I135 L136 A141 E142R134-A138 WeakPolarHBondContact O-CB 3.47Å; R134-A138 PolarHBondContact O-N 3.35Å; I135-A138 WeakPolarHBondContact O-CB 2.88Å; I135-A138 PolarHBondContact O-N 2.83Å; I135-A138 VanDerWaalsContact O-N 3.13Å; L136-A138 VanDerWaalsContact C-N 3.32Å; L136-A138 PolarHBondContact O-N 2.96Å; A138-A141 WeakPolarHBondContact O-CB 3.42Å; A138-A141 PolarHBondContact O-N 3.21Å; A138-A141 VanDerWaalsContact O-N 3.16Å; A138-E142 PolarHBondContact O-N 3.33Å; A138-E142 VanDerWaalsContact O-N 3.08Å
139K93.5Very high94.1Very high46 Ų4638.1 Ų38.120%0.219%0.194CC..Hα-helixtrans-60.9-46.2174.4-171.4175.9174.8-167.50112.2I17 N45 I135 L136 R137 A141 E142 E143I17-K139 PolarHBondContact O-NZ 2.81Å; N45-K139 WeakPolarHBondContact OD1-CD 3.34Å; N45-K139 WeakPolarHBondContact OD1-CE 3.37Å; N45-K139 PolarHBondContact OD1-NZ 3.38Å; I135-K139 PolarHBondContact O-N 3.33Å; L136-K139 WeakPolarHBondContact O-CB 3.48Å; L136-K139 PolarHBondContact O-N 3.39Å; R137-K139 VanDerWaalsContact C-N 3.35Å; K139-A141 PolarHBondContact O-N 2.93Å; K139-E142 PolarHBondContact O-N 3.03Å; K139-E142 VanDerWaalsContact O-N 3.12Å; K139-E143 WeakPolarHBondContact CE-OE1 3.43Å; K139-E143 HydrophobicContact CG-CG 4.39Å; K139-E143 WeakPolarHBondContact CG-OE1 2.97Å; K139-E143 PolarHBondContact O-N 3.03Å
140D96.9Very high94.3Very high0 Ų040.6 Ų40.60%021%0.206CC..Hα-helixtrans-61.3-33.3174.3-79.3-31000112.7F43 A44 N45 T47 L71 L136 R137 E142 L144F43-D140 HydrophobicContact CB-CB 3.76Å; F43-D140 WeakPolarHBondContact CB-OD1 3.38Å; F43-D140 HydrophobicContact CG-CB 4.33Å; A44-D140 PolarHBondContact N-OD1 2.7Å; N45-D140 WeakPolarHBondContact CA-OD1 3.47Å; N45-D140 WeakPolarHBondContact CB-OD1 3.48Å; N45-D140 PolarHBondContact N-OD1 3.42Å; N45-D140 PolarHBondContact N-OD2 3.38Å; N45-D140 PolarHBondContact ND2-OD1 3.37Å; T47-D140 WeakPolarHBondContact CB-OD2 3.39Å; T47-D140 PolarHBondContact N-OD2 3.27Å; T47-D140 PolarHBondContact OG1-OD2 2.98Å; L71-D140 HydrophobicContact CD2-CB 3.85Å; L71-D140 WeakPolarHBondContact CD2-O 3.39Å; L136-D140 PolarHBondContact O-N 3.1Å; R137-D140 PolarHBondContact O-N 3.32Å; D140-E142 VanDerWaalsContact C-N 3.31Å; D140-L144 VanDerWaalsContact O-CA 3.3Å; D140-L144 WeakPolarHBondContact O-CA 3.44Å; D140-L144 PolarHBondContact O-N 3.37Å
141A95.2Very high94.2Very high10 Ų1043.4 Ų43.48%0.08322%0.22CC..Hα-helixtrans-75.3-21.617800000113.8L71 A75 R137 A138 K139 L144L71-A141 HydrophobicContact CD1-CB 4.24Å; L71-A141 HydrophobicContact CD2-CB 4.39Å; L71-A141 HydrophobicContact CG-CB 3.83Å; A75-A141 HydrophobicContact CB-CB 3.21Å; R137-A141 WeakPolarHBondContact O-CB 3.46Å; R137-A141 PolarHBondContact O-N 2.61Å; A138-A141 WeakPolarHBondContact O-CB 3.42Å; A138-A141 PolarHBondContact O-N 3.21Å; A138-A141 VanDerWaalsContact O-N 3.16Å; K139-A141 PolarHBondContact O-N 2.93Å; A141-L144 WeakPolarHBondContact O-CD2 3.15Å
142E94.8Very high94Very high164 Ų16441 Ų4177%0.76621%0.212SC*.Hα-helixtrans-83.2-51.8172.9-176.8174.4-173.600110.9A138 K139 D140A138-E142 PolarHBondContact O-N 3.33Å; A138-E142 VanDerWaalsContact O-N 3.08Å; K139-E142 PolarHBondContact O-N 3.03Å; K139-E142 VanDerWaalsContact O-N 3.12Å; D140-E142 VanDerWaalsContact C-N 3.31Å
143E96.3Very high93.2Very high79 Ų7950.6 Ų50.637%0.36926%0.257SS..Hα-helixtrans-74.3-36.9-176.5-67-179.8-168.800112.9R20 N45 K139 D145R20-E143 IonicContact CZ-OE2 3.74Å; R20-E143 IonicContact NE-OE2 3.79Å; R20-E143 IonicContact NH2-OE2 2.86Å; R20-E143 PolarHBondContact NH2-OE2 2.84Å; N45-E143 PolarHBondContact ND2-OE2 3.48Å; K139-E143 WeakPolarHBondContact CE-OE1 3.43Å; K139-E143 HydrophobicContact CG-CG 4.39Å; K139-E143 WeakPolarHBondContact CG-OE1 2.97Å; K139-E143 PolarHBondContact O-N 3.03Å; E143-D145 HydrophobicContact CB-CB 4.44Å; E143-D145 PolarHBondContact O-N 3Å; E143-D145 VanDerWaalsContact O-N 3.09Å
144L97Very high93.3Very high31 Ų3153.2 Ų53.216%0.16227%0.27CS..  trans53.325.1-176-53.5170000114.6R68 K72 D140 A141 I146R68-L144 HydrophobicContact CB-CD2 4.22Å; R68-L144 HydrophobicContact CG-CB 4.26Å; R68-L144 HydrophobicContact CG-CD2 4.23Å; K72-L144 HydrophobicContact CD-CD1 4.48Å; K72-L144 HydrophobicContact CG-CD2 4.09Å; D140-L144 VanDerWaalsContact O-CA 3.3Å; D140-L144 WeakPolarHBondContact O-CA 3.44Å; D140-L144 PolarHBondContact O-N 3.37Å; A141-L144 WeakPolarHBondContact O-CD2 3.15Å; L144-I146 PolarHBondContact O-N 2.82Å
145D97.9Very high93.4Very high59 Ų5953.4 Ų53.432%0.31628%0.275SS..  trans-78.6112.9-178.5-170.78.6000110.2R20 F43 A44 E143R20-D145 IonicContact CZ-OD2 3.1Å; R20-D145 IonicContact NH1-OD2 2.65Å; R20-D145 PolarHBondContact NH1-OD2 3.05Å; R20-D145 IonicContact NH2-OD2 2.77Å; R20-D145 PolarHBondContact NH2-OD2 3.33Å; F43-D145 CarbonylContact C-O 3.42Å; F43-D145 WeakPolarHBondContact CA-O 3.23Å; A44-D145 HydrophobicContact CB-CB 4.02Å; A44-D145 PolarHBondContact N-O 3.23Å; E143-D145 HydrophobicContact CB-CB 4.44Å; E143-D145 PolarHBondContact O-N 3Å; E143-D145 VanDerWaalsContact O-N 3.09Å
146I98.4Very high93.6Very high38 Ų3853.4 Ų53.420%0.19527%0.274CS..EExtended strand (participates in β ladder)trans-94.3123.1-178-65.8176.3000108.4V41 F43 T64 R68 L144 H148V41-I146 HydrophobicContact CG1-CB 4.39Å; V41-I146 HydrophobicContact CG1-CD1 3.66Å; V41-I146 HydrophobicContact CG1-CG1 3.75Å; V41-I146 HydrophobicContact CG1-CG2 3.82Å; F43-I146 HydrophobicContact CD1-CG1 3.94Å; F43-I146 HydrophobicContact CE1-CD1 4.26Å; F43-I146 HydrophobicContact CE1-CG1 3.6Å; F43-I146 HydrophobicContact CZ-CD1 4.42Å; F43-I146 HydrophobicContact CZ-CG1 4.1Å; T64-I146 HydrophobicContact CG2-CD1 3.74Å; R68-I146 HydrophobicContact CG-CD1 4.43Å; L144-I146 PolarHBondContact O-N 2.82Å; I146-H148 WeakPolarHBondContact CG2-O 3.36Å
147I98Very high93.6Very high34 Ų3455.4 Ų55.417%0.17429%0.285CS..EExtended strand (participates in β ladder)trans-101.4-18.3178.261.7164000112.5Q23 L26 L42 A44Q23-I147 HydrophobicContact CB-CD1 3.78Å; Q23-I147 HydrophobicContact CG-CD1 3.91Å; Q23-I147 HydrophobicContact CG-CG2 4.38Å; L26-I147 HydrophobicContact CD1-CD1 4.18Å; L42-I147 HydrophobicContact CB-CG1 4.37Å; L42-I147 HydrophobicContact CD2-CD1 3.68Å; L42-I147 HydrophobicContact CD2-CG1 3.97Å; L42-I147 HydrophobicContact CG-CD1 3.83Å; L42-I147 HydrophobicContact CG-CG1 3.77Å; L42-I147 WeakPolarHBondContact O-CG1 3.25Å; L42-I147 PolarHBondContact O-N 3.21Å; A44-I147 HydrophobicContact CB-CG2 3.78Å
148H98.1Very high93.6Very high32 Ų3258.6 Ų58.615%0.14830%0.301CS..EExtended strand (participates in β ladder)trans-155142.7179.4-167.577.9000112.3I27 W40 V41 L42 I146I27-H148 HydrophobicContact CD1-CB 3.95Å; I27-H148 HydrophobicContact CG1-CB 3.78Å; W40-H148 AromaticContact CH2-CD2 3.2Å; W40-H148 WeakPolarHBondContact CH2-CD2 3.41Å; W40-H148 AromaticContact CH2-NE2 3.75Å; W40-H148 AromaticContact CZ2-CD2 3.67Å; W40-H148 AromaticContact CZ2-NE2 3.83Å; W40-H148 HydrophobicContact CZ3-CB 4.44Å; W40-H148 AromaticContact CZ3-CD2 3.5Å; W40-H148 VanDerWaalsContact CZ3-CD2 3.5Å; W40-H148 WeakPolarHBondContact CZ3-CD2 3.3Å; V41-H148 WeakPolarHBondContact CA-O 3.23Å; L42-H148 HydrophobicContact CB-CB 4.18Å; L42-H148 HydrophobicContact CD2-CB 4.41Å; L42-H148 PolarHBondContact N-O 3.05Å; L42-H148 PolarHBondContact O-N 3.32Å; I146-H148 WeakPolarHBondContact CG2-O 3.36Å
149L96.3Very high93.7Very high43 Ų4359.5 Ų59.523%0.22530%0.297CS..EExtended strand (participates in β ladder)trans-130.1124.9165.8167.167.2000107.2W40 V41 I60 A63 T64 L151W40-L149 WeakPolarHBondContact O-CA 3.39Å; V41-L149 HydrophobicContact CG2-CB 4.5Å; V41-L149 HydrophobicContact CG2-CD1 3.53Å; I60-L149 HydrophobicContact CB-CD2 4.06Å; I60-L149 HydrophobicContact CG1-CD2 3.91Å; I60-L149 HydrophobicContact CG2-CD2 3.79Å; A63-L149 HydrophobicContact CB-CD1 3.84Å; A63-L149 HydrophobicContact CB-CD2 4.36Å; T64-L149 HydrophobicContact CG2-CD2 4.15Å; L149-L151 HydrophobicContact CD1-CD2 4.02Å; L149-L151 HydrophobicContact CD2-CD2 4.36Å; L149-L151 HydrophobicContact CG-CD2 4.36Å
150Q94.1Very high93.7Very high54 Ų5460.4 Ų60.425%0.25230%0.303SS..EExtended strand (participates in β ladder)trans-110127.5166.3179.167.848.800107.4S39 W40S39-Q150 CarbonylContact C-O 3.46Å; S39-Q150 WeakPolarHBondContact CA-O 3.29Å; W40-Q150 HydrophobicContact CD2-CB 4.1Å; W40-Q150 HydrophobicContact CG-CB 4.22Å; W40-Q150 HydrophobicContact CZ2-CB 3.98Å; W40-Q150 PolarHBondContact N-O 3.02Å; W40-Q150 VanDerWaalsContact NE1-CB 3.32Å; W40-Q150 PolarHBondContact O-N 3.18Å
151L90.6Very high93.5Very high60 Ų6065.1 Ų65.131%0.31433%0.327SS..  trans-91.1140.5165.9-62.8177.6000108.6L58 A63 L149L58-L151 HydrophobicContact CB-CD2 4.41Å; A63-L151 HydrophobicContact CB-CD2 4.27Å; L149-L151 HydrophobicContact CD1-CD2 4.02Å; L149-L151 HydrophobicContact CD2-CD2 4.36Å; L149-L151 HydrophobicContact CG-CD2 4.36Å
152G86.1Confident93.3Very high20 Ų2069.7 Ų69.721%0.20635%0.347CS..  trans-62.7139.8173.100000110.3P36 C37 S39P36-G152 WeakPolarHBondContact O-CA 3.39Å; C37-G152 WeakPolarHBondContact O-CA 2.94Å; S39-G152 PolarHBondContact OG-N 2.99Å
153Q72.4Confident93.2Very high222 Ų22261.1 Ų61.1100%1.03731%0.309SS*.  trans-118.50173.5-66-175.6-2000110.2

Retrieved 153 of 153 residues in 469.7 ms (Link to these results)

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