A0A087WU71_HUMAN Loading...

Transcriptional adaptor 2A

AlphaFold DB , UniProt , Accession A0A087WU71, Species HUMAN (Homo sapiens, Human), Gene TADA2A, Length 133 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
1M36.4Very low42.2Very low232 Ų232129 Ų129100%1.14370%0.696SS**  071.70-85.415717800105.5
2D32.2Very low43Very low151 Ų151126.8 Ų126.881%0.80770%0.698SS**  trans-97.3114.9-169.5-60.7-85.5000105.4L4D2-L4 VanDerWaalsContact C-N 3.31Å; D2-L4 PolarHBondContact O-N 3.2Å
3R36.1Very low44.9Very low250 Ų250124.7 Ų124.794%0.94369%0.685SS**  trans-62.794.1-175.1-73.8176.6157.3-158.7-5.8108.6G5R3-G5 PolarHBondContact O-N 3.33Å
4L36.6Very low47Very low163 Ų163118.2 Ų118.285%0.85365%0.647SS**  trans-47.8110.3165.8-70.9159.1000108.1D2 S6D2-L4 VanDerWaalsContact C-N 3.31Å; D2-L4 PolarHBondContact O-N 3.2Å; L4-S6 PolarHBondContact O-N 2.84Å; L4-S6 VanDerWaalsContact O-N 3.09Å
5G36Very low49.6Very low73 Ų73114.2 Ų114.275%0.75363%0.629SS**  trans-56.3115.1172.600000108.5R3R3-G5 PolarHBondContact O-N 3.33Å
6S40.2Very low52.3Low102 Ų102111 Ų11171%0.71362%0.615SS**  trans-54.8140.3-179-60.10000111.1L4 S8L4-S6 PolarHBondContact O-N 2.84Å; L4-S6 VanDerWaalsContact O-N 3.09Å; S6-S8 PolarHBondContact O-N 2.69Å
7F44.1Very low54.9Low146 Ų146104.6 Ų104.664%0.6458%0.58SS**  trans-59.381168.5-69.1-92.7000110.4E77F7-E77 HydrophobicContact CE1-CG 4.17Å; F7-E77 HydrophobicContact CZ-CG 4.32Å
8S44.5Very low57.2Low64 Ų64104.9 Ų104.945%0.44857%0.571SS.*  trans-116.966.3177.8-58.30000109.7S6S6-S8 PolarHBondContact O-N 2.69Å
9N52.3Low59.2Low91 Ų91100.8 Ų100.849%0.48756%0.555SS.*  trans-127.944.6161.6-73.8-32.4000108.4
10D52.1Low61Low75 Ų7598.4 Ų98.440%0.40155%0.545SS..SBendtrans-67.5136.5149.9-165.1-80.2000106.4S12 D13D10-S12 PolarHBondContact O-N 3.45Å; D10-S12 WeakPolarHBondContact OD1-CB 3.25Å; D10-S12 PolarHBondContact OD1-N 3.33Å; D10-S12 PolarHBondContact OD1-OG 3.32Å; D10-D13 PolarHBondContact O-N 2.77Å
11P54.3Low62.7Low72 Ų7298.2 Ų98.247%0.46855%0.551SS.*THydrogen-bonded Turntrans-45.6-28.1173.9-29.835.4000113.3Y23P11-Y23 VanDerWaalsContact CA-OH 3.26Å; P11-Y23 WeakPolarHBondContact CA-OH 3.32Å; P11-Y23 VanDerWaalsContact CB-OH 3.29Å; P11-Y23 WeakPolarHBondContact CB-OH 3.38Å; P11-Y23 WeakPolarHBondContact O-CE2 3.17Å; P11-Y23 PolarHBondContact O-OH 3.39Å
12S51.6Low65.5Low103 Ų10390.2 Ų90.272%0.7252%0.517SS*.THydrogen-bonded Turntrans-76.3-21.3178.7-67.60000116.5D10 K14D10-S12 PolarHBondContact O-N 3.45Å; D10-S12 WeakPolarHBondContact OD1-CB 3.25Å; D10-S12 PolarHBondContact OD1-N 3.33Å; D10-S12 PolarHBondContact OD1-OG 3.32Å; S12-K14 VanDerWaalsContact C-N 3.34Å
13D67.2Low68.3Low99 Ų9988.7 Ų88.753%0.52950%0.501SS..THydrogen-bonded Turntrans-85.8-9.5-172.5-78.3-27.8000113.6D10D10-D13 PolarHBondContact O-N 2.77Å
14K74.2Confident71Confident34 Ų3476.9 Ų76.915%0.14846%0.457CS..SBendtrans-84.9125.4-176.6-173.5-179.4170.2-166.80110.6S12 L24 Y28S12-K14 VanDerWaalsContact C-N 3.34Å; K14-L24 HydrophobicContact CD-CB 4.22Å; K14-L24 HydrophobicContact CD-CD1 4.45Å; K14-L24 VanDerWaalsContact CE-CB 3.41Å; K14-L24 VanDerWaalsContact CE-CD1 3.49Å; K14-L24 HydrophobicContact CG-CD1 4.42Å; K14-L24 PolarHBondContact NZ-O 3.2Å; K14-Y28 HydrophobicContact CD-CE2 4.4Å; K14-Y28 VanDerWaalsContact CE-CE1 3.49Å; K14-Y28 WeakPolarHBondContact CE-OH 3.49Å
15P86.3Confident73.5Confident58 Ų5875.8 Ų75.838%0.37745%0.449SS..PPolyproline II helixtrans-62.8149.7178.428.2-36.3000110.8L24 F40P15-L24 VanDerWaalsContact O-CD1 3.26Å; P15-L24 WeakPolarHBondContact O-CD1 3.35Å; P15-F40 HydrophobicContact CG-CD2 3.62Å; P15-F40 HydrophobicContact CG-CE2 3.74Å
16P93.7Very high76Confident63 Ų6376.6 Ų76.641%0.40943%0.433SS..PPolyproline II helixtrans-67.4169179.228.9-35.4000111.9R18 S21 S22P16-R18 PolarHBondContact O-N 2.98Å; P16-S21 VanDerWaalsContact CB-O 3.3Å; P16-S21 WeakPolarHBondContact CB-O 3.46Å; P16-S22 WeakPolarHBondContact CA-O 3.47Å; P16-S22 WeakPolarHBondContact CB-O 3.3Å
17C95.8Very high78.5Confident2 Ų275 Ų751%0.01442%0.42CS..PPolyproline II helixtrans-52.6129.6172178.60000110.8G19 S21 S22 L24 C42 C45C17-G19 PolarHBondContact O-N 3.28Å; C17-G19 PolarHBondContact SG-N 3.22Å; C17-G19 VanDerWaalsContact SG-N 3.35Å; C17-S21 WeakPolarHBondContact O-CA 3.29Å; C17-S21 PolarHBondContact O-N 2.9Å; C17-S22 PolarHBondContact N-O 2.85Å; C17-L24 HydrophobicContact CB-CD2 3.67Å; C17-L24 HydrophobicContact CB-CG 4.36Å; C17-C42 HydrophobicContact CB-CB 4.19Å; C17-C42 PolarHBondContact SG-N 3.04Å; C17-C42 VanDerWaalsContact SG-SG 3.63Å; C17-C45 VanDerWaalsContact SG-SG 3.6Å
18R95.4Very high81Confident111 Ų11168.5 Ų68.542%0.41939%0.392SS..THydrogen-bonded Turntrans-67.6-21.6178-66.4-70.9-100.7-142.8-7.8113.5P16 F39 F40 L41P16-R18 PolarHBondContact O-N 2.98Å; R18-F39 HydrophobicContact CB-CD1 4.33Å; R18-F39 HydrophobicContact CB-CD2 4.36Å; R18-F39 HydrophobicContact CB-CE1 3.83Å; R18-F39 HydrophobicContact CB-CE2 3.86Å; R18-F39 HydrophobicContact CB-CZ 3.58Å; R18-F39 HydrophobicContact CG-CD1 4.27Å; R18-F39 HydrophobicContact CG-CD2 3.99Å; R18-F39 HydrophobicContact CG-CE1 4.26Å; R18-F39 HydrophobicContact CG-CE2 3.98Å; R18-F39 HydrophobicContact CG-CG 4.14Å; R18-F39 HydrophobicContact CG-CZ 4.12Å; R18-F40 WeakPolarHBondContact CG-O 3.49Å; R18-F40 PolarHBondContact N-O 3.44Å; R18-L41 HydrophobicContact CB-CD2 4.2Å
19G95.5Very high83.4Confident26 Ų2665.9 Ų65.927%0.26837%0.373SS..THydrogen-bonded Turntrans-87.7-42.2-178.900000114.8C17 F50C17-G19 PolarHBondContact O-N 3.28Å; C17-G19 PolarHBondContact SG-N 3.22Å; C17-G19 VanDerWaalsContact SG-N 3.35Å; G19-F50 VanDerWaalsContact CA-CZ 3.42Å
20C96.7Very high85.5Confident52 Ų5264.4 Ų64.435%0.35136%0.362SS..THydrogen-bonded Turntrans-121.30.6-174.366.40000114.3S22C20-S22 PolarHBondContact O-N 3.26Å; C20-S22 PolarHBondContact O-OG 3.42Å; C20-S22 VanDerWaalsContact SG-CB 3.57Å; C20-S22 PolarHBondContact SG-OG 3.13Å
21S95.3Very high87.6Confident96 Ų9661.1 Ų61.167%0.67135%0.345SS*.  trans58.27.8-176.7-550000115P16 C17P16-S21 VanDerWaalsContact CB-O 3.3Å; P16-S21 WeakPolarHBondContact CB-O 3.46Å; C17-S21 WeakPolarHBondContact O-CA 3.29Å; C17-S21 PolarHBondContact O-N 2.9Å
22S94.8Very high89.6Confident64 Ų6460.2 Ų60.245%0.44834%0.343SS..  trans-76.3157.3176.4-46.40000111.4P16 C17 C20P16-S22 WeakPolarHBondContact CA-O 3.47Å; P16-S22 WeakPolarHBondContact CB-O 3.3Å; C17-S22 PolarHBondContact N-O 2.85Å; C20-S22 PolarHBondContact O-N 3.26Å; C20-S22 PolarHBondContact O-OG 3.42Å; C20-S22 VanDerWaalsContact SG-CB 3.57Å; C20-S22 PolarHBondContact SG-OG 3.13Å
23Y92.8Very high91.8Very high118 Ų11860.3 Ų60.346%0.46333%0.332SS..  trans-59.3141.5172.2-172.2-102.3000111.6P11 M25P11-Y23 VanDerWaalsContact CA-OH 3.26Å; P11-Y23 WeakPolarHBondContact CA-OH 3.32Å; P11-Y23 VanDerWaalsContact CB-OH 3.29Å; P11-Y23 WeakPolarHBondContact CB-OH 3.38Å; P11-Y23 WeakPolarHBondContact O-CE2 3.17Å; P11-Y23 PolarHBondContact O-OH 3.39Å; Y23-M25 HydrophobicContact CD1-CG 4.5Å; Y23-M25 HydrophobicContact CD1-SD 3.89Å; Y23-M25 HydrophobicContact CE1-SD 4.1Å; Y23-M25 PolarHBondContact O-N 3Å
24L92.3Very high93.1Very high3 Ų356.6 Ų56.62%0.01631%0.314CS..  trans-90.495.6-177.3-70.7173.6000110.8K14 P15 C17 Y28 F40 C42K14-L24 HydrophobicContact CD-CB 4.22Å; K14-L24 HydrophobicContact CD-CD1 4.45Å; K14-L24 VanDerWaalsContact CE-CB 3.41Å; K14-L24 VanDerWaalsContact CE-CD1 3.49Å; K14-L24 HydrophobicContact CG-CD1 4.42Å; K14-L24 PolarHBondContact NZ-O 3.2Å; P15-L24 VanDerWaalsContact O-CD1 3.26Å; P15-L24 WeakPolarHBondContact O-CD1 3.35Å; C17-L24 HydrophobicContact CB-CD2 3.67Å; C17-L24 HydrophobicContact CB-CG 4.36Å; L24-Y28 HydrophobicContact CB-CG 4.37Å; L24-Y28 HydrophobicContact CD1-CD2 4.08Å; L24-F40 HydrophobicContact CD1-CB 3.43Å; L24-F40 VanDerWaalsContact CD1-CB 3.43Å; L24-F40 HydrophobicContact CD1-CG 4.15Å; L24-C42 HydrophobicContact CD2-CB 3.89Å; L24-C42 VanDerWaalsContact CD2-N 3.29Å
25M89Confident93.8Very high139 Ų13957.7 Ų57.769%0.68533%0.334SS*.PPolyproline II helixtrans-69.7143.1165.4-61.6-61.4-69.600110.3Y23 P27Y23-M25 HydrophobicContact CD1-CG 4.5Å; Y23-M25 HydrophobicContact CD1-SD 3.89Å; Y23-M25 HydrophobicContact CE1-SD 4.1Å; Y23-M25 PolarHBondContact O-N 3Å; M25-P27 CarbonylContact O-C 3.47Å
26E88.6Confident93.8Very high91 Ų9161.2 Ų61.243%0.42536%0.358SS..SBendtrans-72.7146.9172.8-65.8177.4171.300111.5Y28 V66 Q69E26-Y28 HydrophobicContact CG-CD1 4.09Å; E26-Y28 HydrophobicContact CG-CE1 4.12Å; E26-V66 WeakPolarHBondContact OE2-CG2 3.39Å; E26-Q69 PolarHBondContact OE1-NE2 3.17Å
27P92.8Very high93.5Very high68 Ų6862 Ų6244%0.44236%0.362SS..SBendcis-74.9151.8-10.632.8-35000111.8M25 I63 M64 D65M25-P27 CarbonylContact O-C 3.47Å; P27-I63 HydrophobicContact CB-CG2 4.11Å; P27-M64 WeakPolarHBondContact CA-O 3.32Å; P27-D65 HydrophobicContact CB-CB 4.3Å
28Y95.1Very high93.3Very high9 Ų964.9 Ų64.94%0.03538%0.381CS..EExtended strand (participates in β ladder)trans-134.6167.9177.665-76.1000110.8K14 L24 E26 F40 M64K14-Y28 HydrophobicContact CD-CE2 4.4Å; K14-Y28 VanDerWaalsContact CE-CE1 3.49Å; K14-Y28 WeakPolarHBondContact CE-OH 3.49Å; L24-Y28 HydrophobicContact CB-CG 4.37Å; L24-Y28 HydrophobicContact CD1-CD2 4.08Å; E26-Y28 HydrophobicContact CG-CD1 4.09Å; E26-Y28 HydrophobicContact CG-CE1 4.12Å; Y28-F40 AromaticContact CD2-CD1 3.96Å; Y28-F40 HydrophobicContact CD2-CD1 3.96Å; Y28-F40 AromaticContact CE2-CD1 3.65Å; Y28-F40 HydrophobicContact CE2-CD1 3.65Å; Y28-F40 AromaticContact CE2-CE1 3.87Å; Y28-F40 HydrophobicContact CE2-CE1 3.87Å; Y28-F40 HydrophobicContact CE2-CG 4.41Å; Y28-M64 HydrophobicContact CD1-CB 3.67Å; Y28-M64 VanDerWaalsContact CD1-O 3.24Å; Y28-M64 WeakPolarHBondContact CD1-O 3.49Å; Y28-M64 HydrophobicContact CD2-CB 3.81Å; Y28-M64 HydrophobicContact CD2-CG 4.1Å; Y28-M64 HydrophobicContact CE1-CB 3.23Å; Y28-M64 HydrophobicContact CE1-CG 4.28Å; Y28-M64 WeakPolarHBondContact CE1-O 3.33Å; Y28-M64 HydrophobicContact CE2-CB 3.39Å; Y28-M64 HydrophobicContact CE2-CG 3.54Å; Y28-M64 HydrophobicContact CG-CB 3.95Å; Y28-M64 PolarHBondContact N-O 2.94Å; Y28-M64 VanDerWaalsContact N-O 3.08Å; Y28-M64 WeakPolarHBondContact O-CB 3.49Å; Y28-M64 PolarHBondContact O-N 3.35Å
29I96.1Very high93.2Very high10 Ų1060.1 Ų60.15%0.05136%0.363CS..EExtended strand (participates in β ladder)trans-108133.5-173.4-54.2-58.4000110.1F40 L41 F46 Y61 I63I29-F40 CarbonylContact O-C 3.55Å; I29-F40 VanDerWaalsContact O-CA 3.22Å; I29-F40 WeakPolarHBondContact O-CA 3.42Å; I29-L41 HydrophobicContact CB-CB 4.43Å; I29-L41 PolarHBondContact N-O 3.41Å; I29-L41 PolarHBondContact O-N 3.16Å; I29-F46 HydrophobicContact CB-CB 4.44Å; I29-F46 HydrophobicContact CB-CD2 4.3Å; I29-F46 HydrophobicContact CB-CG 4.4Å; I29-F46 HydrophobicContact CD1-CD1 4.37Å; I29-F46 HydrophobicContact CD1-CG 4.45Å; I29-F46 HydrophobicContact CG1-CB 3.8Å; I29-F46 HydrophobicContact CG1-CD1 4.04Å; I29-F46 HydrophobicContact CG1-CD2 4Å; I29-F46 HydrophobicContact CG1-CG 3.67Å; I29-F46 HydrophobicContact CG2-CD2 3.85Å; I29-F46 HydrophobicContact CG2-CE2 4.14Å; I29-F46 HydrophobicContact CG2-CG 4.4Å; I29-Y61 HydrophobicContact CD1-CD2 4.19Å; I29-Y61 HydrophobicContact CD1-CE2 4.43Å; I29-Y61 HydrophobicContact CG2-CD2 4.07Å; I29-Y61 HydrophobicContact CG2-CG 4.13Å; I29-I63 HydrophobicContact CD1-CG1 4.09Å
30K95.4Very high93.3Very high59 Ų5959.9 Ų59.926%0.25736%0.355SS..EExtended strand (participates in β ladder)trans-110.3122.8166.6177.7-175.3158.3-144.30108.3A32 F40 Y61 E62 M64K30-A32 PolarHBondContact O-N 3.31Å; K30-F40 HydrophobicContact CB-CD1 3.68Å; K30-F40 HydrophobicContact CB-CE1 3.63Å; K30-F40 HydrophobicContact CD-CE1 3.84Å; K30-F40 HydrophobicContact CG-CD1 3.97Å; K30-F40 HydrophobicContact CG-CE1 3.56Å; K30-F40 HydrophobicContact CG-CZ 4.45Å; K30-Y61 WeakPolarHBondContact O-CA 3.3Å; K30-E62 HydrophobicContact CB-CB 4.37Å; K30-E62 PolarHBondContact N-O 3.37Å; K30-E62 IonicContact NZ-OE1 2.76Å; K30-E62 IonicContact NZ-OE2 3.59Å; K30-E62 PolarHBondContact NZ-OE2 2.91Å; K30-E62 PolarHBondContact O-N 2.93Å; K30-M64 HydrophobicContact CB-CG 3.81Å; K30-M64 HydrophobicContact CB-SD 4.28Å; K30-M64 HydrophobicContact CD-SD 4.21Å
31C96.9Very high93.3Very high6 Ų657.6 Ų57.64%0.04134%0.339CS..EExtended strand (participates in β ladder)trans-69.6131171.6-179.20000109.5E33 C34 F39 H59C31-E33 VanDerWaalsContact C-N 3.32Å; C31-C34 HydrophobicContact CB-CB 4Å; C31-C34 PolarHBondContact SG-N 3.44Å; C31-F39 HydrophobicContact CB-CB 4.15Å; C31-F39 PolarHBondContact N-O 3.26Å; C31-H59 VanDerWaalsContact SG-CB 3.56Å
32A96.1Very high93.4Very high53 Ų5353.8 Ų53.844%0.43831%0.313SS..SBendtrans-79.2-18.9-179.400000112.5K30 T60K30-A32 PolarHBondContact O-N 3.31Å; A32-T60 WeakPolarHBondContact CB-O 3.42Å; A32-T60 PolarHBondContact N-O 3.11Å
33E97.1Very high93.4Very high106 Ų10655 Ų5550%0.49531%0.314SS..SBendtrans-101.5-20.7-174.3-64.7177-127.300113.5C31 H59 T60C31-E33 VanDerWaalsContact C-N 3.32Å; E33-H59 HydrophobicContact CB-CB 4.34Å; E33-H59 HydrophobicContact CG-CB 4.45Å; E33-H59 VanDerWaalsContact OE1-CA 3.3Å; E33-H59 WeakPolarHBondContact OE1-CA 3.14Å; E33-H59 IonicContact OE1-CG 3.97Å; E33-H59 IonicContact OE2-CD2 3.6Å; E33-H59 IonicContact OE2-CG 3.85Å; E33-H59 IonicContact OE2-NE2 3.9Å; E33-T60 WeakPolarHBondContact CG-OG1 3.29Å; E33-T60 PolarHBondContact OE1-N 3.48Å; E33-T60 PolarHBondContact OE1-OG1 3.22Å
34C95.4Very high93.7Very high21 Ų2155.6 Ų55.614%0.14232%0.321CS..  trans-97.8119.3-175-71.10000112.9C31 F39 H59C31-C34 HydrophobicContact CB-CB 4Å; C31-C34 PolarHBondContact SG-N 3.44Å; C34-F39 HydrophobicContact CB-CB 3.51Å; C34-F39 HydrophobicContact CB-CD2 4.5Å; C34-F39 HydrophobicContact CB-CG 4.16Å; C34-H59 PolarHBondContact SG-ND1 2.99Å; C34-H59 VanDerWaalsContact SG-ND1 3.37Å
35G87.9Confident94Very high56 Ų5655.9 Ų55.958%0.57732%0.323SS*.THydrogen-bonded Turntrans164.5175.8168.600000112.8P37G35-P37 WeakPolarHBondContact CA-O 3.35Å
36P88.1Confident94.4Very high133 Ų13351.9 Ų51.986%0.86430%0.302SS*.THydrogen-bonded Turncis-82.7148.1-12.831-31.6000113.5
37P87.5Confident94.8Very high78 Ų7852.4 Ų52.451%0.50631%0.311SS..THydrogen-bonded Turncis-77.1157.2-0.333-36.1000112.7G35G35-P37 WeakPolarHBondContact CA-O 3.35Å
38P90Very high95Very high63 Ų6358.8 Ų58.841%0.40933%0.326SS..THydrogen-bonded Turntrans-57.2146.2-18022.6-32.5000112F40P38-F40 HydrophobicContact CB-CE2 3.87Å; P38-F40 HydrophobicContact CB-CZ 3.89Å; P38-F40 HydrophobicContact CG-CE2 3.77Å; P38-F40 HydrophobicContact CG-CZ 4.05Å
39F94.9Very high95.1Very high11 Ų1159.9 Ų59.95%0.04834%0.34CS..  trans-106.3114.3-174.3-162.2-80.3000110.7R18 C31 C34 L41 F50 Y52 H55R18-F39 HydrophobicContact CB-CD1 4.33Å; R18-F39 HydrophobicContact CB-CD2 4.36Å; R18-F39 HydrophobicContact CB-CE1 3.83Å; R18-F39 HydrophobicContact CB-CE2 3.86Å; R18-F39 HydrophobicContact CB-CZ 3.58Å; R18-F39 HydrophobicContact CG-CD1 4.27Å; R18-F39 HydrophobicContact CG-CD2 3.99Å; R18-F39 HydrophobicContact CG-CE1 4.26Å; R18-F39 HydrophobicContact CG-CE2 3.98Å; R18-F39 HydrophobicContact CG-CG 4.14Å; R18-F39 HydrophobicContact CG-CZ 4.12Å; C31-F39 HydrophobicContact CB-CB 4.15Å; C31-F39 PolarHBondContact N-O 3.26Å; C34-F39 HydrophobicContact CB-CB 3.51Å; C34-F39 HydrophobicContact CB-CD2 4.5Å; C34-F39 HydrophobicContact CB-CG 4.16Å; F39-L41 HydrophobicContact CD1-CD2 4.49Å; F39-L41 HydrophobicContact CD1-CG 4.23Å; F39-L41 HydrophobicContact CE1-CD1 4.15Å; F39-L41 HydrophobicContact CE1-CD2 3.73Å; F39-L41 HydrophobicContact CE1-CG 3.82Å; F39-F50 HydrophobicContact CZ-CD1 4.41Å; F39-F50 HydrophobicContact CZ-CE1 4.08Å; F39-Y52 HydrophobicContact CE2-CD1 4.36Å; F39-H55 HydrophobicContact CD1-CB 4.45Å; F39-H55 AromaticContact CD1-CD2 3.98Å; F39-H55 AromaticContact CD1-CG 3.91Å; F39-H55 HydrophobicContact CD2-CB 4.32Å; F39-H55 HydrophobicContact CE1-CB 4.07Å; F39-H55 AromaticContact CE1-CD2 3.29Å; F39-H55 WeakPolarHBondContact CE1-CD2 3.48Å; F39-H55 AromaticContact CE1-CG 3.56Å; F39-H55 AromaticContact CE1-NE2 3.7Å; F39-H55 HydrophobicContact CE2-CB 3.94Å; F39-H55 HydrophobicContact CZ-CB 3.8Å; F39-H55 AromaticContact CZ-CD2 3.66Å; F39-H55 AromaticContact CZ-CG 3.8Å
40F95.7Very high95.2Very high22 Ų2262 Ų6210%0.09635%0.349CS..EExtended strand (participates in β ladder)trans-115.6140.7-178.4-57.9-72.8000112.5P15 R18 L24 Y28 I29 K30 P38P15-F40 HydrophobicContact CG-CD2 3.62Å; P15-F40 HydrophobicContact CG-CE2 3.74Å; R18-F40 WeakPolarHBondContact CG-O 3.49Å; R18-F40 PolarHBondContact N-O 3.44Å; L24-F40 HydrophobicContact CD1-CB 3.43Å; L24-F40 VanDerWaalsContact CD1-CB 3.43Å; L24-F40 HydrophobicContact CD1-CG 4.15Å; Y28-F40 AromaticContact CD2-CD1 3.96Å; Y28-F40 HydrophobicContact CD2-CD1 3.96Å; Y28-F40 AromaticContact CE2-CD1 3.65Å; Y28-F40 HydrophobicContact CE2-CD1 3.65Å; Y28-F40 AromaticContact CE2-CE1 3.87Å; Y28-F40 HydrophobicContact CE2-CE1 3.87Å; Y28-F40 HydrophobicContact CE2-CG 4.41Å; I29-F40 CarbonylContact O-C 3.55Å; I29-F40 VanDerWaalsContact O-CA 3.22Å; I29-F40 WeakPolarHBondContact O-CA 3.42Å; K30-F40 HydrophobicContact CB-CD1 3.68Å; K30-F40 HydrophobicContact CB-CE1 3.63Å; K30-F40 HydrophobicContact CD-CE1 3.84Å; K30-F40 HydrophobicContact CG-CD1 3.97Å; K30-F40 HydrophobicContact CG-CE1 3.56Å; K30-F40 HydrophobicContact CG-CZ 4.45Å; P38-F40 HydrophobicContact CB-CE2 3.87Å; P38-F40 HydrophobicContact CB-CZ 3.89Å; P38-F40 HydrophobicContact CG-CE2 3.77Å; P38-F40 HydrophobicContact CG-CZ 4.05Å
41L97Very high95.3Very high3 Ų363.4 Ų63.42%0.01636%0.357CS..EExtended strand (participates in β ladder)trans-126.1144.1175-66.6179.1000110.7R18 I29 F39 C45 F46 F50R18-L41 HydrophobicContact CB-CD2 4.2Å; I29-L41 HydrophobicContact CB-CB 4.43Å; I29-L41 PolarHBondContact N-O 3.41Å; I29-L41 PolarHBondContact O-N 3.16Å; F39-L41 HydrophobicContact CD1-CD2 4.49Å; F39-L41 HydrophobicContact CD1-CG 4.23Å; F39-L41 HydrophobicContact CE1-CD1 4.15Å; F39-L41 HydrophobicContact CE1-CD2 3.73Å; F39-L41 HydrophobicContact CE1-CG 3.82Å; L41-C45 HydrophobicContact CB-CB 4.3Å; L41-C45 HydrophobicContact CD2-CB 3.92Å; L41-F46 HydrophobicContact CB-CB 4.42Å; L41-F50 HydrophobicContact CD1-CB 4.35Å; L41-F50 HydrophobicContact CD1-CD1 4.4Å; L41-F50 HydrophobicContact CD2-CD1 3.69Å; L41-F50 HydrophobicContact CD2-CE1 4.32Å; L41-F50 HydrophobicContact CD2-CG 4.37Å
42C97Very high95.1Very high17 Ų1768.4 Ų68.412%0.11538%0.376CS..EExtended strand (participates in β ladder)trans-70.2159.7162.370.20000109.1C17 L24 Q44 C45 F46C17-C42 HydrophobicContact CB-CB 4.19Å; C17-C42 PolarHBondContact SG-N 3.04Å; C17-C42 VanDerWaalsContact SG-SG 3.63Å; L24-C42 HydrophobicContact CD2-CB 3.89Å; L24-C42 VanDerWaalsContact CD2-N 3.29Å; C42-Q44 PolarHBondContact O-N 3.43Å; C42-Q44 VanDerWaalsContact O-N 3.15Å; C42-C45 PolarHBondContact O-N 3.01Å; C42-C45 VanDerWaalsContact O-N 3.12Å; C42-C45 PolarHBondContact SG-N 3.17Å; C42-C45 VanDerWaalsContact SG-N 3.38Å; C42-C45 VanDerWaalsContact SG-SG 3.63Å; C42-F46 PolarHBondContact O-N 3.49Å
43L96.8Very high94.9Very high89 Ų8973.9 Ų73.947%0.46639%0.39SS..Hα-helixtrans-57.1-33.7-179.4-172.360.2000112.7F46 T47L43-F46 HydrophobicContact CD1-CD1 4.5Å; L43-F46 PolarHBondContact O-N 3.3Å; L43-T47 HydrophobicContact CD1-CG2 4.3Å; L43-T47 HydrophobicContact CG-CG2 4.46Å; L43-T47 WeakPolarHBondContact O-CB 3.48Å; L43-T47 WeakPolarHBondContact O-CG2 2.85Å; L43-T47 PolarHBondContact O-N 2.97Å; L43-T47 PolarHBondContact O-OG1 3.03Å
44Q97.8Very high94.8Very high130 Ų13077.8 Ų77.861%0.60741%0.405SS*.Hα-helixtrans-68-42.1178.1-65.7-179.2-7.600112.8C42 T47 R48C42-Q44 PolarHBondContact O-N 3.43Å; C42-Q44 VanDerWaalsContact O-N 3.15Å; Q44-T47 PolarHBondContact O-OG1 3.1Å; Q44-T47 VanDerWaalsContact O-OG1 3.14Å; Q44-R48 WeakPolarHBondContact O-CB 3.38Å; Q44-R48 WeakPolarHBondContact O-CD 3.36Å; Q44-R48 VanDerWaalsContact O-CG 3.24Å; Q44-R48 WeakPolarHBondContact O-CG 3.19Å; Q44-R48 PolarHBondContact O-N 3.34Å
45C98Very high94.9Very high9 Ų977.4 Ų77.46%0.06140%0.401CS..Hα-helixtrans-69.9-37.2176.9-73.50000111.3C17 L41 C42 R48 G49 F50C17-C45 VanDerWaalsContact SG-SG 3.6Å; L41-C45 HydrophobicContact CB-CB 4.3Å; L41-C45 HydrophobicContact CD2-CB 3.92Å; C42-C45 PolarHBondContact O-N 3.01Å; C42-C45 VanDerWaalsContact O-N 3.12Å; C42-C45 PolarHBondContact SG-N 3.17Å; C42-C45 VanDerWaalsContact SG-N 3.38Å; C42-C45 VanDerWaalsContact SG-SG 3.63Å; C45-R48 PolarHBondContact O-N 3.35Å; C45-G49 PolarHBondContact O-N 3.36Å; C45-F50 HydrophobicContact CB-CB 4Å; C45-F50 HydrophobicContact CB-CG 4.47Å; C45-F50 WeakPolarHBondContact O-CB 3.41Å; C45-F50 PolarHBondContact O-N 2.97Å
46F97.9Very high95.3Very high56 Ų5678.3 Ų78.325%0.24639%0.39CS..Hα-helixtrans-62.5-50.7176176.8-104.7000112.1I29 L41 C42 L43 R48 G49 Y61I29-F46 HydrophobicContact CB-CB 4.44Å; I29-F46 HydrophobicContact CB-CD2 4.3Å; I29-F46 HydrophobicContact CB-CG 4.4Å; I29-F46 HydrophobicContact CD1-CD1 4.37Å; I29-F46 HydrophobicContact CD1-CG 4.45Å; I29-F46 HydrophobicContact CG1-CB 3.8Å; I29-F46 HydrophobicContact CG1-CD1 4.04Å; I29-F46 HydrophobicContact CG1-CD2 4Å; I29-F46 HydrophobicContact CG1-CG 3.67Å; I29-F46 HydrophobicContact CG2-CD2 3.85Å; I29-F46 HydrophobicContact CG2-CE2 4.14Å; I29-F46 HydrophobicContact CG2-CG 4.4Å; L41-F46 HydrophobicContact CB-CB 4.42Å; C42-F46 PolarHBondContact O-N 3.49Å; L43-F46 HydrophobicContact CD1-CD1 4.5Å; L43-F46 PolarHBondContact O-N 3.3Å; F46-R48 PolarHBondContact O-N 3.02Å; F46-G49 PolarHBondContact O-N 2.9Å; F46-Y61 AromaticContact CE2-CD1 3.9Å; F46-Y61 HydrophobicContact CE2-CD1 3.9Å; F46-Y61 HydrophobicContact CE2-CE1 4.18Å; F46-Y61 HydrophobicContact CE2-CG 4.08Å; F46-Y61 AromaticContact CZ-CD1 3.81Å; F46-Y61 HydrophobicContact CZ-CD1 3.81Å; F46-Y61 HydrophobicContact CZ-CD2 4.31Å; F46-Y61 AromaticContact CZ-CE1 3.61Å; F46-Y61 HydrophobicContact CZ-CE1 3.61Å; F46-Y61 HydrophobicContact CZ-CE2 4.12Å; F46-Y61 HydrophobicContact CZ-CG 4.17Å; F46-Y61 AromaticContact CZ-CZ 3.77Å
47T97.3Very high95.8Very high102 Ų10274.8 Ų74.863%0.62637%0.369SS*.Hα-helixtrans-65.3-21.5-179.849.80000113.9L43 Q44 G49L43-T47 HydrophobicContact CD1-CG2 4.3Å; L43-T47 HydrophobicContact CG-CG2 4.46Å; L43-T47 WeakPolarHBondContact O-CB 3.48Å; L43-T47 WeakPolarHBondContact O-CG2 2.85Å; L43-T47 PolarHBondContact O-N 2.97Å; L43-T47 PolarHBondContact O-OG1 3.03Å; Q44-T47 PolarHBondContact O-OG1 3.1Å; Q44-T47 VanDerWaalsContact O-OG1 3.14Å; T47-G49 VanDerWaalsContact C-N 3.29Å
48R97.8Very high96.2Very high201 Ų20177.2 Ų77.276%0.75838%0.377SS*.THydrogen-bonded Turntrans-82.6-3.4172.4-72.2174178.1177.30.5113.7Q44 C45 F46Q44-R48 WeakPolarHBondContact O-CB 3.38Å; Q44-R48 WeakPolarHBondContact O-CD 3.36Å; Q44-R48 VanDerWaalsContact O-CG 3.24Å; Q44-R48 WeakPolarHBondContact O-CG 3.19Å; Q44-R48 PolarHBondContact O-N 3.34Å; C45-R48 PolarHBondContact O-N 3.35Å; F46-R48 PolarHBondContact O-N 3.02Å
49G97.4Very high96.6Very high32 Ų3275.8 Ų75.833%0.3337%0.365SS..THydrogen-bonded Turntrans6544.9-174.600000111.9C45 F46 T47 E51C45-G49 PolarHBondContact O-N 3.36Å; F46-G49 PolarHBondContact O-N 2.9Å; T47-G49 VanDerWaalsContact C-N 3.29Å; G49-E51 PolarHBondContact O-N 3.46Å
50F97.8Very high96.8Very high55 Ų5579.3 Ų79.324%0.24139%0.388CS..  trans-61.8121.4179.4179.2-94.3000111.1G19 F39 L41 C45 Y52 H55G19-F50 VanDerWaalsContact CA-CZ 3.42Å; F39-F50 HydrophobicContact CZ-CD1 4.41Å; F39-F50 HydrophobicContact CZ-CE1 4.08Å; L41-F50 HydrophobicContact CD1-CB 4.35Å; L41-F50 HydrophobicContact CD1-CD1 4.4Å; L41-F50 HydrophobicContact CD2-CD1 3.69Å; L41-F50 HydrophobicContact CD2-CE1 4.32Å; L41-F50 HydrophobicContact CD2-CG 4.37Å; C45-F50 HydrophobicContact CB-CB 4Å; C45-F50 HydrophobicContact CB-CG 4.47Å; C45-F50 WeakPolarHBondContact O-CB 3.41Å; C45-F50 PolarHBondContact O-N 2.97Å; F50-Y52 HydrophobicContact CE1-CG 4.39Å; F50-Y52 HydrophobicContact CZ-CD2 4.5Å; F50-Y52 HydrophobicContact CZ-CG 4.33Å; F50-H55 PolarHBondContact O-CD2 3.06Å; F50-H55 VanDerWaalsContact O-CD2 3.24Å; F50-H55 PolarHBondContact O-NE2 3.3Å
51E97.4Very high96.8Very high88 Ų8883.8 Ų83.841%0.41141%0.405SS..  trans-118141.5177.8-66.3-175.8167.300110.5G49 S57G49-E51 PolarHBondContact O-N 3.46Å; E51-S57 WeakPolarHBondContact OE1-CB 3.23Å; E51-S57 PolarHBondContact OE1-N 2.96Å; E51-S57 PolarHBondContact OE1-OG 3.44Å
52Y92.8Very high96.7Very high111 Ų11187.7 Ų87.744%0.43542%0.423SS..BIsolated β-bridgetrans-157.7124.8-179.5-176.7-105.2000112.4F39 F50 K54 H55F39-Y52 HydrophobicContact CE2-CD1 4.36Å; F50-Y52 HydrophobicContact CE1-CG 4.39Å; F50-Y52 HydrophobicContact CZ-CD2 4.5Å; F50-Y52 HydrophobicContact CZ-CG 4.33Å; Y52-K54 PolarHBondContact O-N 3.16Å; Y52-H55 PolarHBondContact N-O 3.07Å; Y52-H55 WeakPolarHBondContact O-CB 3.45Å; Y52-H55 PolarHBondContact O-N 3.28Å
53K91.4Very high96.5Very high168 Ų16890.7 Ų90.773%0.7344%0.437SS*.THydrogen-bonded Turntrans54-110.5-177.6-65.6178.2173.3164.30110.7
54K94.5Very high96.3Very high188 Ų18887.9 Ų87.982%0.81742%0.422SS*.THydrogen-bonded Turntrans-90.4-7.5-178.9-62.8-172.4176.8-174.20113.2Y52 H59Y52-K54 PolarHBondContact O-N 3.16Å; K54-H59 PolarHBondContact O-CE1 3.12Å
55H97.1Very high95.9Very high13 Ų1384.1 Ų84.16%0.0641%0.406CS..BIsolated β-bridgetrans-80.9129.6175.6179.458.4000109.6F39 F50 Y52 H59F39-H55 HydrophobicContact CD1-CB 4.45Å; F39-H55 AromaticContact CD1-CD2 3.98Å; F39-H55 AromaticContact CD1-CG 3.91Å; F39-H55 HydrophobicContact CD2-CB 4.32Å; F39-H55 HydrophobicContact CE1-CB 4.07Å; F39-H55 AromaticContact CE1-CD2 3.29Å; F39-H55 WeakPolarHBondContact CE1-CD2 3.48Å; F39-H55 AromaticContact CE1-CG 3.56Å; F39-H55 AromaticContact CE1-NE2 3.7Å; F39-H55 HydrophobicContact CE2-CB 3.94Å; F39-H55 HydrophobicContact CZ-CB 3.8Å; F39-H55 AromaticContact CZ-CD2 3.66Å; F39-H55 AromaticContact CZ-CG 3.8Å; F50-H55 PolarHBondContact O-CD2 3.06Å; F50-H55 VanDerWaalsContact O-CD2 3.24Å; F50-H55 PolarHBondContact O-NE2 3.3Å; Y52-H55 PolarHBondContact N-O 3.07Å; Y52-H55 WeakPolarHBondContact O-CB 3.45Å; Y52-H55 PolarHBondContact O-N 3.28Å; H55-H59 AromaticContact ND1-ND1 3.83Å
56Q97.9Very high95.1Very high76 Ų7687.2 Ų87.236%0.35542%0.424SS..  trans-117.7152.8171.6-60.3-66.4-87.400109.5D58 H59Q56-D58 WeakPolarHBondContact CB-OD1 3.33Å; Q56-D58 PolarHBondContact O-N 3.39Å; Q56-H59 WeakPolarHBondContact O-CB 3.17Å; Q56-H59 PolarHBondContact O-N 3.16Å
57S97.4Very high94.4Very high58 Ų5887.5 Ų87.541%0.40644%0.437SS..THydrogen-bonded Turntrans-71.5-17.2-175.557.70000113.3E51E51-S57 WeakPolarHBondContact OE1-CB 3.23Å; E51-S57 PolarHBondContact OE1-N 2.96Å; E51-S57 PolarHBondContact OE1-OG 3.44Å
58D97Very high93.6Very high129 Ų12986 Ų8669%0.6943%0.426SS*.THydrogen-bonded Turntrans-89.8-3.1177.167-19.5000113.8Q56 T60Q56-D58 WeakPolarHBondContact CB-OD1 3.33Å; Q56-D58 PolarHBondContact O-N 3.39Å; D58-T60 PolarHBondContact O-N 3.47Å
59H97.9Very high92.8Very high34 Ų3478.2 Ų78.216%0.15740%0.397CS..SBendtrans-60.1140.9172.9-74.2-172.2000111.1C31 E33 C34 K54 H55 Q56C31-H59 VanDerWaalsContact SG-CB 3.56Å; E33-H59 HydrophobicContact CB-CB 4.34Å; E33-H59 HydrophobicContact CG-CB 4.45Å; E33-H59 VanDerWaalsContact OE1-CA 3.3Å; E33-H59 WeakPolarHBondContact OE1-CA 3.14Å; E33-H59 IonicContact OE1-CG 3.97Å; E33-H59 IonicContact OE2-CD2 3.6Å; E33-H59 IonicContact OE2-CG 3.85Å; E33-H59 IonicContact OE2-NE2 3.9Å; C34-H59 PolarHBondContact SG-ND1 2.99Å; C34-H59 VanDerWaalsContact SG-ND1 3.37Å; K54-H59 PolarHBondContact O-CE1 3.12Å; H55-H59 AromaticContact ND1-ND1 3.83Å; Q56-H59 WeakPolarHBondContact O-CB 3.17Å; Q56-H59 PolarHBondContact O-N 3.16Å
60T97.9Very high91.9Very high84 Ų8481.2 Ų81.252%0.51540%0.404SS..  trans-55.5144.3168.955.70000111A32 E33 D58A32-T60 WeakPolarHBondContact CB-O 3.42Å; A32-T60 PolarHBondContact N-O 3.11Å; E33-T60 WeakPolarHBondContact CG-OG1 3.29Å; E33-T60 PolarHBondContact OE1-N 3.48Å; E33-T60 PolarHBondContact OE1-OG1 3.22Å; D58-T60 PolarHBondContact O-N 3.47Å
61Y96.6Very high90.8Very high116 Ų11683.2 Ų83.246%0.45542%0.424SS..EExtended strand (participates in β ladder)trans-140.7155.8-171.468.9-91.2000112.2I29 K30 F46 I63I29-Y61 HydrophobicContact CD1-CD2 4.19Å; I29-Y61 HydrophobicContact CD1-CE2 4.43Å; I29-Y61 HydrophobicContact CG2-CD2 4.07Å; I29-Y61 HydrophobicContact CG2-CG 4.13Å; K30-Y61 WeakPolarHBondContact O-CA 3.3Å; F46-Y61 AromaticContact CE2-CD1 3.9Å; F46-Y61 HydrophobicContact CE2-CD1 3.9Å; F46-Y61 HydrophobicContact CE2-CE1 4.18Å; F46-Y61 HydrophobicContact CE2-CG 4.08Å; F46-Y61 AromaticContact CZ-CD1 3.81Å; F46-Y61 HydrophobicContact CZ-CD1 3.81Å; F46-Y61 HydrophobicContact CZ-CD2 4.31Å; F46-Y61 AromaticContact CZ-CE1 3.61Å; F46-Y61 HydrophobicContact CZ-CE1 3.61Å; F46-Y61 HydrophobicContact CZ-CE2 4.12Å; F46-Y61 HydrophobicContact CZ-CG 4.17Å; F46-Y61 AromaticContact CZ-CZ 3.77Å; Y61-I63 HydrophobicContact CD2-CG1 4.16Å; Y61-I63 HydrophobicContact CE2-CD1 4.24Å; Y61-I63 HydrophobicContact CE2-CG1 3.77Å
62E94.8Very high89.9Confident85 Ų8583.8 Ų83.840%0.39743%0.433SS..EExtended strand (participates in β ladder)trans-112.1130.4171.4-67.9167.3-159.600108.6K30K30-E62 HydrophobicContact CB-CB 4.37Å; K30-E62 PolarHBondContact N-O 3.37Å; K30-E62 IonicContact NZ-OE1 2.76Å; K30-E62 IonicContact NZ-OE2 3.59Å; K30-E62 PolarHBondContact NZ-OE2 2.91Å; K30-E62 PolarHBondContact O-N 2.93Å
63I93.8Very high89.3Confident81 Ų8182.5 Ų82.542%0.41543%0.43SS..EExtended strand (participates in β ladder)trans-80124.2169.2-58.7178.1000107.2P27 I29 Y61 N68P27-I63 HydrophobicContact CB-CG2 4.11Å; I29-I63 HydrophobicContact CD1-CG1 4.09Å; Y61-I63 HydrophobicContact CD2-CG1 4.16Å; Y61-I63 HydrophobicContact CE2-CD1 4.24Å; Y61-I63 HydrophobicContact CE2-CG1 3.77Å; I63-N68 PolarHBondContact O-ND2 2.81Å; I63-N68 VanDerWaalsContact O-ND2 3.09Å
64M91.6Very high89.3Confident30 Ų3077.8 Ų77.815%0.14842%0.416CS..EExtended strand (participates in β ladder)trans-103.5108.2178-61.1-64.5-52.700109.1P27 Y28 K30 Q69P27-M64 WeakPolarHBondContact CA-O 3.32Å; Y28-M64 HydrophobicContact CD1-CB 3.67Å; Y28-M64 VanDerWaalsContact CD1-O 3.24Å; Y28-M64 WeakPolarHBondContact CD1-O 3.49Å; Y28-M64 HydrophobicContact CD2-CB 3.81Å; Y28-M64 HydrophobicContact CD2-CG 4.1Å; Y28-M64 HydrophobicContact CE1-CB 3.23Å; Y28-M64 HydrophobicContact CE1-CG 4.28Å; Y28-M64 WeakPolarHBondContact CE1-O 3.33Å; Y28-M64 HydrophobicContact CE2-CB 3.39Å; Y28-M64 HydrophobicContact CE2-CG 3.54Å; Y28-M64 HydrophobicContact CG-CB 3.95Å; Y28-M64 PolarHBondContact N-O 2.94Å; Y28-M64 VanDerWaalsContact N-O 3.08Å; Y28-M64 WeakPolarHBondContact O-CB 3.49Å; Y28-M64 PolarHBondContact O-N 3.35Å; K30-M64 HydrophobicContact CB-CG 3.81Å; K30-M64 HydrophobicContact CB-SD 4.28Å; K30-M64 HydrophobicContact CD-SD 4.21Å; M64-Q69 HydrophobicContact CE-CG 4.29Å
65D89.4Confident89Confident50 Ų5075.6 Ų75.627%0.26741%0.406SS..  trans-132.7-177.3174.664.58.5000109.9P27 A67 N68 Q69P27-D65 HydrophobicContact CB-CB 4.3Å; D65-A67 VanDerWaalsContact C-N 3.31Å; D65-A67 PolarHBondContact O-N 3.44Å; D65-A67 PolarHBondContact OD1-N 3.23Å; D65-N68 VanDerWaalsContact OD1-CB 3.29Å; D65-N68 WeakPolarHBondContact OD1-CB 3.24Å; D65-N68 PolarHBondContact OD1-N 3.06Å; D65-N68 PolarHBondContact OD1-ND2 3.37Å; D65-Q69 VanDerWaalsContact O-CG 3.3Å; D65-Q69 WeakPolarHBondContact O-CG 3.32Å; D65-Q69 PolarHBondContact O-N 2.98Å; D65-Q69 PolarHBondContact O-NE2 3.37Å
66V81.6Confident88.7Confident74 Ų7480.7 Ų80.745%0.44843%0.43SS..Hα-helixtrans-59.8-42178.7-179.40000111.5E26 Q69 M70E26-V66 WeakPolarHBondContact OE2-CG2 3.39Å; V66-Q69 WeakPolarHBondContact O-CB 3.48Å; V66-Q69 PolarHBondContact O-N 3.43Å; V66-M70 HydrophobicContact CG1-CE 3.41Å; V66-M70 VanDerWaalsContact CG1-CE 3.41Å; V66-M70 HydrophobicContact CG1-CG 4.39Å; V66-M70 HydrophobicContact CG1-SD 3.96Å; V66-M70 WeakPolarHBondContact O-CG 3.48Å; V66-M70 PolarHBondContact O-N 3.48Å
67A82.8Confident88.2Confident62 Ų6279.8 Ų79.851%0.51243%0.426SS..Hα-helixtrans-64.9-45.4-17700000111.9D65 Q69 M70 C71D65-A67 VanDerWaalsContact C-N 3.31Å; D65-A67 PolarHBondContact O-N 3.44Å; D65-A67 PolarHBondContact OD1-N 3.23Å; A67-Q69 VanDerWaalsContact C-N 3.26Å; A67-Q69 PolarHBondContact O-N 3.35Å; A67-M70 PolarHBondContact O-N 2.77Å; A67-C71 PolarHBondContact O-N 3.2Å
68N81.5Confident87.6Confident72 Ų7279.1 Ų79.139%0.38542%0.421SS..Hα-helixtrans-66.7-28.6175.4-74.9-67000112.2I63 D65 C71I63-N68 PolarHBondContact O-ND2 2.81Å; I63-N68 VanDerWaalsContact O-ND2 3.09Å; D65-N68 VanDerWaalsContact OD1-CB 3.29Å; D65-N68 WeakPolarHBondContact OD1-CB 3.24Å; D65-N68 PolarHBondContact OD1-N 3.06Å; D65-N68 PolarHBondContact OD1-ND2 3.37Å; N68-C71 PolarHBondContact O-SG 3.2Å
69Q79.5Confident87.2Confident36 Ų3677.6 Ų77.617%0.16841%0.409CS..Hα-helixtrans-71.6-37.9171.9-75.2173.262.600112E26 M64 D65 V66 A67 T72 K73E26-Q69 PolarHBondContact OE1-NE2 3.17Å; M64-Q69 HydrophobicContact CE-CG 4.29Å; D65-Q69 VanDerWaalsContact O-CG 3.3Å; D65-Q69 WeakPolarHBondContact O-CG 3.32Å; D65-Q69 PolarHBondContact O-N 2.98Å; D65-Q69 PolarHBondContact O-NE2 3.37Å; V66-Q69 WeakPolarHBondContact O-CB 3.48Å; V66-Q69 PolarHBondContact O-N 3.43Å; A67-Q69 VanDerWaalsContact C-N 3.26Å; A67-Q69 PolarHBondContact O-N 3.35Å; Q69-T72 PolarHBondContact O-OG1 3.04Å; Q69-T72 VanDerWaalsContact O-OG1 3.13Å; Q69-K73 WeakPolarHBondContact O-CG 3.46Å
70M79.8Confident86.7Confident96 Ų9682.8 Ų82.847%0.47343%0.431SS..Hα-helixtrans-72.2-33179.3-70.8176.7176.200113V66 A67 T72 K73V66-M70 HydrophobicContact CG1-CE 3.41Å; V66-M70 VanDerWaalsContact CG1-CE 3.41Å; V66-M70 HydrophobicContact CG1-CG 4.39Å; V66-M70 HydrophobicContact CG1-SD 3.96Å; V66-M70 WeakPolarHBondContact O-CG 3.48Å; V66-M70 PolarHBondContact O-N 3.48Å; A67-M70 PolarHBondContact O-N 2.77Å; M70-T72 PolarHBondContact O-N 3.09Å; M70-T72 VanDerWaalsContact O-N 3.15Å; M70-K73 PolarHBondContact O-N 2.78Å
71C74.7Confident86.1Confident96 Ų9683 Ų8365%0.64943%0.426SS*.THydrogen-bonded Turntrans-65.1-20.4-176.874.60000113.8A67 N68A67-C71 PolarHBondContact O-N 3.2Å; N68-C71 PolarHBondContact O-SG 3.2Å
72T77.1Confident85.5Confident100 Ų10083.6 Ų83.661%0.61343%0.429SS*.THydrogen-bonded Turntrans-93.66.7177.463.30000113.5Q69 M70Q69-T72 PolarHBondContact O-OG1 3.04Å; Q69-T72 VanDerWaalsContact O-OG1 3.13Å; M70-T72 PolarHBondContact O-N 3.09Å; M70-T72 VanDerWaalsContact O-N 3.15Å
73K81.7Confident85.2Confident84 Ų8483.3 Ų83.337%0.36543%0.428SS..SBendtrans-116.4148.7-171.7-59-63.3172.6-166.20112.6Q69 M70 E77Q69-K73 WeakPolarHBondContact O-CG 3.46Å; M70-K73 PolarHBondContact O-N 2.78Å; K73-E77 VanDerWaalsContact CA-OE2 3.23Å; K73-E77 WeakPolarHBondContact CA-OE2 3.38Å; K73-E77 HydrophobicContact CB-CB 4.17Å; K73-E77 HydrophobicContact CD-CB 4.48Å; K73-E77 WeakPolarHBondContact CD-OE2 3.41Å
74T89.8Confident84.7Confident70 Ų7085.3 Ų85.343%0.42943%0.434SS..  trans-76.1165.1171.683.70000111E76 E77 C78T74-E76 VanDerWaalsContact C-N 3.27Å; T74-E76 WeakPolarHBondContact CB-OE2 3.21Å; T74-E76 PolarHBondContact O-N 3.43Å; T74-E76 PolarHBondContact OG1-N 3.41Å; T74-E76 PolarHBondContact OG1-OE2 3.2Å; T74-E77 PolarHBondContact N-OE2 3.23Å; T74-E77 PolarHBondContact O-N 3.04Å; T74-E77 PolarHBondContact OG1-N 3.15Å; T74-C78 PolarHBondContact O-N 3.01Å; T74-C78 VanDerWaalsContact O-N 3.09Å
75K88.5Confident84.1Confident141 Ų14186.6 Ų86.661%0.61344%0.439SS*.Hα-helixtrans-53.5-47.1175177.3-177.4169-175.80111.4E77 C78 E79K75-E77 VanDerWaalsContact C-N 3.31Å; K75-E77 PolarHBondContact O-N 3.4Å; K75-C78 PolarHBondContact O-N 3.17Å; K75-E79 WeakPolarHBondContact CE-OE1 3.5Å; K75-E79 HydrophobicContact CG-CG 4.48Å; K75-E79 IonicContact NZ-OE1 3.82Å; K75-E79 WeakPolarHBondContact O-CG 3.24Å; K75-E79 PolarHBondContact O-N 2.94Å
76E92.1Very high83.7Confident121 Ų12188.9 Ų88.957%0.56545%0.447SS*.Hα-helixtrans-64.5-36.7-176.8-58.870.5-150.200111.5T74 K80T74-E76 VanDerWaalsContact C-N 3.27Å; T74-E76 WeakPolarHBondContact CB-OE2 3.21Å; T74-E76 PolarHBondContact O-N 3.43Å; T74-E76 PolarHBondContact OG1-N 3.41Å; T74-E76 PolarHBondContact OG1-OE2 3.2Å; E76-K80 WeakPolarHBondContact O-CB 3.21Å; E76-K80 PolarHBondContact O-N 3.09Å
77E86.9Confident83.9Confident57 Ų5789.7 Ų89.727%0.26645%0.448SS..Hα-helixtrans-67.8-45.1176.9-67179.4134.500111.7F7 K73 T74 K75 K80 H81F7-E77 HydrophobicContact CE1-CG 4.17Å; F7-E77 HydrophobicContact CZ-CG 4.32Å; K73-E77 VanDerWaalsContact CA-OE2 3.23Å; K73-E77 WeakPolarHBondContact CA-OE2 3.38Å; K73-E77 HydrophobicContact CB-CB 4.17Å; K73-E77 HydrophobicContact CD-CB 4.48Å; K73-E77 WeakPolarHBondContact CD-OE2 3.41Å; T74-E77 PolarHBondContact N-OE2 3.23Å; T74-E77 PolarHBondContact O-N 3.04Å; T74-E77 PolarHBondContact OG1-N 3.15Å; K75-E77 VanDerWaalsContact C-N 3.31Å; K75-E77 PolarHBondContact O-N 3.4Å; E77-K80 PolarHBondContact O-N 3.35Å; E77-H81 WeakPolarHBondContact O-CB 3.47Å; E77-H81 PolarHBondContact O-N 2.78Å
78C84.7Confident83.8Confident44 Ų4492.2 Ų92.230%0.29745%0.453SS..Hα-helixtrans-62.9-44.1176.4-73.10000111.8T74 K75 H81 Y82T74-C78 PolarHBondContact O-N 3.01Å; T74-C78 VanDerWaalsContact O-N 3.09Å; K75-C78 PolarHBondContact O-N 3.17Å; C78-H81 PolarHBondContact O-N 3.44Å; C78-Y82 WeakPolarHBondContact O-CB 3.5Å; C78-Y82 PolarHBondContact O-N 2.86Å
79E89.1Confident83.7Confident96 Ų9690.5 Ų90.545%0.44944%0.444SS..Hα-helixtrans-59.6-49.5176.1-76.8178.1176.900111.2K75 H81 Y82 M83K75-E79 WeakPolarHBondContact CE-OE1 3.5Å; K75-E79 HydrophobicContact CG-CG 4.48Å; K75-E79 IonicContact NZ-OE1 3.82Å; K75-E79 WeakPolarHBondContact O-CG 3.24Å; K75-E79 PolarHBondContact O-N 2.94Å; E79-H81 VanDerWaalsContact C-N 3.32Å; E79-H81 PolarHBondContact O-N 2.93Å; E79-Y82 PolarHBondContact O-N 3.14Å; E79-M83 WeakPolarHBondContact O-CB 3.34Å; E79-M83 VanDerWaalsContact O-CG 3.23Å; E79-M83 WeakPolarHBondContact O-CG 3.23Å; E79-M83 PolarHBondContact O-N 3.31Å
80K87.6Confident83.4Confident143 Ų14393.5 Ų93.562%0.62247%0.466SS*.Hα-helixtrans-59.7-42.4178.7-175.4-179.1177.4-1770112.1E76 E77 K84E76-K80 WeakPolarHBondContact O-CB 3.21Å; E76-K80 PolarHBondContact O-N 3.09Å; E77-K80 PolarHBondContact O-N 3.35Å; K80-K84 WeakPolarHBondContact O-CB 3.26Å; K80-K84 PolarHBondContact O-N 3.08Å
81H84.8Confident82.8Confident89 Ų8995.3 Ų95.341%0.41248%0.477SS..Hα-helixtrans-61-49.7175.817596.5000111.1E77 C78 E79 M83 K84 H85E77-H81 WeakPolarHBondContact O-CB 3.47Å; E77-H81 PolarHBondContact O-N 2.78Å; C78-H81 PolarHBondContact O-N 3.44Å; E79-H81 VanDerWaalsContact C-N 3.32Å; E79-H81 PolarHBondContact O-N 2.93Å; H81-M83 PolarHBondContact O-N 3.15Å; H81-K84 PolarHBondContact O-N 2.67Å; H81-H85 AromaticContact CE1-CD2 3.56Å; H81-H85 AromaticContact CE1-NE2 3.99Å; H81-H85 AromaticContact ND1-CD2 3.56Å; H81-H85 AromaticContact ND1-NE2 3.95Å; H81-H85 AromaticContact NE2-CD2 3.98Å; H81-H85 PolarHBondContact O-CD2 3.42Å; H81-H85 PolarHBondContact O-N 3.44Å
82Y84.5Confident82.1Confident129 Ų12995.4 Ų95.451%0.50647%0.467SS..Hα-helixtrans-59.6-47.6-178.9-172.3-90000111.4C78 E79 K84 H85 F86 I87C78-Y82 WeakPolarHBondContact O-CB 3.5Å; C78-Y82 PolarHBondContact O-N 2.86Å; E79-Y82 PolarHBondContact O-N 3.14Å; Y82-K84 VanDerWaalsContact C-N 3.33Å; Y82-K84 PolarHBondContact O-N 3Å; Y82-H85 PolarHBondContact O-N 3.03Å; Y82-F86 HydrophobicContact CD2-CB 4.46Å; Y82-F86 AromaticContact CD2-CD2 3.84Å; Y82-F86 HydrophobicContact CD2-CD2 3.84Å; Y82-F86 HydrophobicContact CD2-CE2 4.39Å; Y82-F86 HydrophobicContact CD2-CG 4.27Å; Y82-F86 HydrophobicContact CE1-CB 4.42Å; Y82-F86 HydrophobicContact CE2-CB 4.28Å; Y82-F86 HydrophobicContact CE2-CD2 4.22Å; Y82-F86 HydrophobicContact CE2-CG 4.21Å; Y82-F86 HydrophobicContact CG-CD2 4.29Å; Y82-F86 WeakPolarHBondContact O-CB 3.4Å; Y82-F86 PolarHBondContact O-N 3.33Å; Y82-I87 HydrophobicContact CD1-CD1 4.27Å; Y82-I87 HydrophobicContact CD1-CG1 4.04Å; Y82-I87 HydrophobicContact CE1-CD1 3.96Å; Y82-I87 HydrophobicContact CE1-CG1 3.83Å; Y82-I87 PolarHBondContact O-N 3.07Å
83M87.3Confident81.2Confident79 Ų7992.7 Ų92.739%0.38946%0.455SS..Iπ-helixtrans-58.8-43.4177.7-67.9-61135.300112E79 H81 I87 N88E79-M83 WeakPolarHBondContact O-CB 3.34Å; E79-M83 VanDerWaalsContact O-CG 3.23Å; E79-M83 WeakPolarHBondContact O-CG 3.23Å; E79-M83 PolarHBondContact O-N 3.31Å; H81-M83 PolarHBondContact O-N 3.15Å; M83-I87 HydrophobicContact CE-CD1 3.5Å; M83-I87 HydrophobicContact CE-CG1 4.24Å; M83-I87 PolarHBondContact O-N 2.81Å; M83-I87 HydrophobicContact SD-CB 4.17Å; M83-I87 HydrophobicContact SD-CD1 3.48Å; M83-I87 WeakPolarHBondContact SD-CD1 3.5Å; M83-I87 HydrophobicContact SD-CG1 3.91Å; M83-N88 WeakPolarHBondContact O-CB 3.48Å; M83-N88 PolarHBondContact O-N 2.97Å; M83-N88 PolarHBondContact O-ND2 3.49Å
84K83.8Confident80.1Confident123 Ų12391.6 Ų91.654%0.53546%0.458SS..Iπ-helixtrans-68-47-179.2-177.7-173.9174.2-165.70112.4K80 H81 Y82 N89K80-K84 WeakPolarHBondContact O-CB 3.26Å; K80-K84 PolarHBondContact O-N 3.08Å; H81-K84 PolarHBondContact O-N 2.67Å; Y82-K84 VanDerWaalsContact C-N 3.33Å; Y82-K84 PolarHBondContact O-N 3Å; K84-N89 PolarHBondContact O-N 2.83Å
85H79.1Confident78.7Confident56 Ų5692 Ų9226%0.25946%0.46SS..Iπ-helixtrans-89.5-28-167.9-74.1-85.8000113.9H81 Y82 N89H81-H85 AromaticContact CE1-CD2 3.56Å; H81-H85 AromaticContact CE1-NE2 3.99Å; H81-H85 AromaticContact ND1-CD2 3.56Å; H81-H85 AromaticContact ND1-NE2 3.95Å; H81-H85 AromaticContact NE2-CD2 3.98Å; H81-H85 PolarHBondContact O-CD2 3.42Å; H81-H85 PolarHBondContact O-N 3.44Å; Y82-H85 PolarHBondContact O-N 3.03Å; H85-N89 WeakPolarHBondContact O-CB 3.26Å; H85-N89 PolarHBondContact O-ND2 3.48Å
86F81.1Confident77.5Confident98 Ų9890.5 Ų90.543%0.4346%0.458SS..Iπ-helixtrans-114.7-37.5-173.2-60.9-88.7000113.6Y82Y82-F86 HydrophobicContact CD2-CB 4.46Å; Y82-F86 AromaticContact CD2-CD2 3.84Å; Y82-F86 HydrophobicContact CD2-CD2 3.84Å; Y82-F86 HydrophobicContact CD2-CE2 4.39Å; Y82-F86 HydrophobicContact CD2-CG 4.27Å; Y82-F86 HydrophobicContact CE1-CB 4.42Å; Y82-F86 HydrophobicContact CE2-CB 4.28Å; Y82-F86 HydrophobicContact CE2-CD2 4.22Å; Y82-F86 HydrophobicContact CE2-CG 4.21Å; Y82-F86 HydrophobicContact CG-CD2 4.29Å; Y82-F86 WeakPolarHBondContact O-CB 3.4Å; Y82-F86 PolarHBondContact O-N 3.33Å
87I85.2Confident76Confident92 Ų9289.6 Ų89.647%0.47246%0.457SS..Iπ-helixtrans-89.7-56.7-178.7-55.1-149.1000111.5Y82 M83 N89Y82-I87 HydrophobicContact CD1-CD1 4.27Å; Y82-I87 HydrophobicContact CD1-CG1 4.04Å; Y82-I87 HydrophobicContact CE1-CD1 3.96Å; Y82-I87 HydrophobicContact CE1-CG1 3.83Å; Y82-I87 PolarHBondContact O-N 3.07Å; M83-I87 HydrophobicContact CE-CD1 3.5Å; M83-I87 HydrophobicContact CE-CG1 4.24Å; M83-I87 PolarHBondContact O-N 2.81Å; M83-I87 HydrophobicContact SD-CB 4.17Å; M83-I87 HydrophobicContact SD-CD1 3.48Å; M83-I87 WeakPolarHBondContact SD-CD1 3.5Å; M83-I87 HydrophobicContact SD-CG1 3.91Å; I87-N89 VanDerWaalsContact C-N 3.33Å; I87-N89 PolarHBondContact O-N 2.93Å
88N81.9Confident74.7Confident115 Ų11591 Ų9162%0.61547%0.466SS*.SBendtrans-902.1-171.8-62.4-35.4000113.1M83 P90M83-N88 WeakPolarHBondContact O-CB 3.48Å; M83-N88 PolarHBondContact O-N 2.97Å; M83-N88 PolarHBondContact O-ND2 3.49Å; N88-P90 WeakPolarHBondContact O-CD 3.29Å
89N79.5Confident73.7Confident36 Ų3693.7 Ų93.719%0.19348%0.477CS..  trans-76.3111.1-179.1-175.6-6.7000110.1K84 H85 I87 L91 F92 A93K84-N89 PolarHBondContact O-N 2.83Å; H85-N89 WeakPolarHBondContact O-CB 3.26Å; H85-N89 PolarHBondContact O-ND2 3.48Å; I87-N89 VanDerWaalsContact C-N 3.33Å; I87-N89 PolarHBondContact O-N 2.93Å; N89-L91 PolarHBondContact O-N 3.13Å; N89-L91 VanDerWaalsContact O-N 3.12Å; N89-L91 WeakPolarHBondContact OD1-CB 3.1Å; N89-L91 PolarHBondContact OD1-N 3.2Å; N89-L91 VanDerWaalsContact OD1-N 3.11Å; N89-F92 HydrophobicContact CB-CB 4.42Å; N89-F92 PolarHBondContact O-N 2.86Å; N89-A93 PolarHBondContact O-N 2.92Å; N89-A93 VanDerWaalsContact O-N 3.16Å
90P72.6Confident72.4Confident99 Ų9995 Ų9564%0.64348%0.481SS*.Hα-helixtrans-63.7-21.8-176.425.1-33.2000113.2N88 S94N88-P90 WeakPolarHBondContact O-CD 3.29Å; P90-S94 PolarHBondContact O-N 3.05Å
91L67.6Low71.3Confident133 Ų13393.6 Ų93.670%0.69648%0.477SS*.Hα-helixtrans-69.4-33174.5-61.5177.1000112.2N89N89-L91 PolarHBondContact O-N 3.13Å; N89-L91 VanDerWaalsContact O-N 3.12Å; N89-L91 WeakPolarHBondContact OD1-CB 3.1Å; N89-L91 PolarHBondContact OD1-N 3.2Å; N89-L91 VanDerWaalsContact OD1-N 3.11Å
92F58.6Low70.1Confident98 Ų9891.4 Ų91.443%0.4347%0.474SS..Hα-helixtrans-81.2-34.4175.9-97.6-90000112.7N89 S94 T95 L96N89-F92 HydrophobicContact CB-CB 4.42Å; N89-F92 PolarHBondContact O-N 2.86Å; F92-S94 PolarHBondContact O-N 3.44Å; F92-T95 PolarHBondContact O-N 3.27Å; F92-T95 VanDerWaalsContact O-N 3.16Å; F92-L96 PolarHBondContact O-N 3.02Å
93A59.9Low68.9Low44 Ų4491.7 Ų91.736%0.36448%0.48SS..Hα-helixtrans-56.1-39.2175.800000111.8N89 L97N89-A93 PolarHBondContact O-N 2.92Å; N89-A93 VanDerWaalsContact O-N 3.16Å; A93-L97 WeakPolarHBondContact O-CB 3.42Å; A93-L97 WeakPolarHBondContact O-CD1 3.45Å; A93-L97 WeakPolarHBondContact O-CG 3.43Å; A93-L97 PolarHBondContact O-N 3.25Å
94S57.9Low67.6Low61 Ų6193.6 Ų93.643%0.42749%0.488SS..Hα-helixtrans-64.4-44.9176.1-175.70000112.8P90 F92 L96 L97 N98P90-S94 PolarHBondContact O-N 3.05Å; F92-S94 PolarHBondContact O-N 3.44Å; S94-L96 PolarHBondContact O-N 3.12Å; S94-L97 PolarHBondContact O-N 3.05Å; S94-N98 WeakPolarHBondContact O-CB 3.3Å; S94-N98 PolarHBondContact O-N 3.22Å; S94-N98 PolarHBondContact O-ND2 2.93Å
95T61.1Low66.4Low78 Ų7891.8 Ų91.848%0.47950%0.496SS..Hα-helixtrans-63.6-40.9177.8-53.80000112.3F92 N98 L99F92-T95 PolarHBondContact O-N 3.27Å; F92-T95 VanDerWaalsContact O-N 3.16Å; T95-N98 PolarHBondContact O-N 3.42Å; T95-L99 PolarHBondContact O-N 2.74Å
96L61.6Low65.3Low109 Ų10996.2 Ų96.257%0.57151%0.514SS*.Hα-helixtrans-67.5-38.7175.7-68177.5000112.3F92 S94 N98 L99 K100F92-L96 PolarHBondContact O-N 3.02Å; S94-L96 PolarHBondContact O-N 3.12Å; L96-N98 VanDerWaalsContact C-N 3.35Å; L96-L99 HydrophobicContact CD2-CD1 4.22Å; L96-L99 PolarHBondContact O-N 2.9Å; L96-K100 PolarHBondContact O-N 3.38Å; L96-K100 VanDerWaalsContact O-N 3.1Å
97L61.1Low64.1Low102 Ų10296.9 Ų96.953%0.53453%0.526SS..Hα-helixtrans-61.2-42.2172.3-89.7155000111.8A93 S94 K100 Q101A93-L97 WeakPolarHBondContact O-CB 3.42Å; A93-L97 WeakPolarHBondContact O-CD1 3.45Å; A93-L97 WeakPolarHBondContact O-CG 3.43Å; A93-L97 PolarHBondContact O-N 3.25Å; S94-L97 PolarHBondContact O-N 3.05Å; L97-K100 PolarHBondContact O-N 3.03Å; L97-Q101 WeakPolarHBondContact O-CG 3.4Å; L97-Q101 PolarHBondContact O-N 2.9Å
98N60.7Low62.6Low86 Ų8697.1 Ų97.146%0.4654%0.542SS..Hα-helixtrans-66.3-36177-68.4-32.8000112.4S94 T95 L96 A102S94-N98 WeakPolarHBondContact O-CB 3.3Å; S94-N98 PolarHBondContact O-N 3.22Å; S94-N98 PolarHBondContact O-ND2 2.93Å; T95-N98 PolarHBondContact O-N 3.42Å; L96-N98 VanDerWaalsContact C-N 3.35Å; N98-A102 WeakPolarHBondContact O-CB 3.18Å; N98-A102 PolarHBondContact O-N 2.95Å
99L63.2Low61.4Low102 Ų10299.3 Ų99.353%0.53455%0.554SS.*Hα-helixtrans-63.2-45.1173.8-79.4162.4000111.6T95 L96 Q101 A102 E103T95-L99 PolarHBondContact O-N 2.74Å; L96-L99 HydrophobicContact CD2-CD1 4.22Å; L96-L99 PolarHBondContact O-N 2.9Å; L99-Q101 PolarHBondContact O-N 3.48Å; L99-A102 PolarHBondContact O-N 3.27Å; L99-A102 VanDerWaalsContact O-N 3.17Å; L99-E103 PolarHBondContact O-N 3.33Å
100K61.8Low60.1Low123 Ų123103 Ų10354%0.53558%0.578SS.*Hα-helixtrans-63.1-42.4177.4-177157.8-179.6166.90112.5L96 L97 A102 E103 E104L96-K100 PolarHBondContact O-N 3.38Å; L96-K100 VanDerWaalsContact O-N 3.1Å; L97-K100 PolarHBondContact O-N 3.03Å; K100-A102 VanDerWaalsContact C-N 3.29Å; K100-A102 PolarHBondContact O-N 3.49Å; K100-E103 PolarHBondContact O-N 2.81Å; K100-E104 WeakPolarHBondContact CE-OE1 3.22Å; K100-E104 WeakPolarHBondContact CG-OE1 3.3Å; K100-E104 WeakPolarHBondContact O-CG 3.35Å; K100-E104 PolarHBondContact O-N 2.89Å
101Q63.5Low59.5Low113 Ų113102.1 Ų102.153%0.52858%0.579SS.*Hα-helixtrans-64.5-34.3174.6-69.8173.313.400112.2L97 L99 A105L97-Q101 WeakPolarHBondContact O-CG 3.4Å; L97-Q101 PolarHBondContact O-N 2.9Å; L99-Q101 PolarHBondContact O-N 3.48Å; Q101-A105 WeakPolarHBondContact O-CB 3.48Å; Q101-A105 PolarHBondContact O-N 2.73Å
102A61Low59.1Low43 Ų43103.3 Ų103.336%0.35559%0.585SS.*Hα-helixtrans-73.1-29.5176.400000113.5N98 L99 K100 K106N98-A102 WeakPolarHBondContact O-CB 3.18Å; N98-A102 PolarHBondContact O-N 2.95Å; L99-A102 PolarHBondContact O-N 3.27Å; L99-A102 VanDerWaalsContact O-N 3.17Å; K100-A102 VanDerWaalsContact C-N 3.29Å; K100-A102 PolarHBondContact O-N 3.49Å; A102-K106 WeakPolarHBondContact O-CD 3.43Å; A102-K106 VanDerWaalsContact O-CG 3.3Å; A102-K106 WeakPolarHBondContact O-CG 3Å
103E59.5Low59.5Low135 Ų135103 Ų10363%0.63159%0.592SS**Hα-helixtrans-72.5-42.4171.1-73.1-179.4146.500111.6L99 K100 A105 K106 T107L99-E103 PolarHBondContact O-N 3.33Å; K100-E103 PolarHBondContact O-N 2.81Å; E103-A105 VanDerWaalsContact C-N 3.29Å; E103-A105 PolarHBondContact O-N 2.68Å; E103-K106 PolarHBondContact O-N 3.02Å; E103-K106 VanDerWaalsContact O-N 3.16Å; E103-T107 WeakPolarHBondContact O-CG2 3.29Å; E103-T107 PolarHBondContact O-OG1 2.94Å
104E58.8Low59.3Low120 Ų120109.5 Ų109.556%0.56161%0.613SS**Hα-helixtrans-64.6-33176.6-72170.8-17400111.9K100 K106 T107K100-E104 WeakPolarHBondContact CE-OE1 3.22Å; K100-E104 WeakPolarHBondContact CG-OE1 3.3Å; K100-E104 WeakPolarHBondContact O-CG 3.35Å; K100-E104 PolarHBondContact O-N 2.89Å; E104-K106 VanDerWaalsContact C-N 3.32Å; E104-K106 PolarHBondContact O-N 3.48Å; E104-T107 PolarHBondContact O-OG1 2.76Å
105A58.8Low59.6Low84 Ų84113.3 Ų113.369%0.69462%0.624SS**THydrogen-bonded Turntrans-75.2-13.6175.300000114.7Q101 E103Q101-A105 WeakPolarHBondContact O-CB 3.48Å; Q101-A105 PolarHBondContact O-N 2.73Å; E103-A105 VanDerWaalsContact C-N 3.29Å; E103-A105 PolarHBondContact O-N 2.68Å
106K56.6Low59.3Low149 Ų149114.6 Ų114.665%0.64864%0.636SS**THydrogen-bonded Turntrans-105.6-5.5-174.3-74.9177.9-177.4-178.30115A102 E103 E104 T110A102-K106 WeakPolarHBondContact O-CD 3.43Å; A102-K106 VanDerWaalsContact O-CG 3.3Å; A102-K106 WeakPolarHBondContact O-CG 3Å; E103-K106 PolarHBondContact O-N 3.02Å; E103-K106 VanDerWaalsContact O-N 3.16Å; E104-K106 VanDerWaalsContact C-N 3.32Å; E104-K106 PolarHBondContact O-N 3.48Å; K106-T110 PolarHBondContact O-OG1 3.21Å
107T56.1Low59.4Low112 Ų112114.1 Ų114.169%0.68764%0.638SS**THydrogen-bonded Turntrans-957.1-168.3410000116.1E103 E104E103-T107 WeakPolarHBondContact O-CG2 3.29Å; E103-T107 PolarHBondContact O-OG1 2.94Å; E104-T107 PolarHBondContact O-OG1 2.76Å
108A53.5Low59.4Low97 Ų97117.8 Ų117.880%0.80266%0.658SS**THydrogen-bonded Turntrans-107.9-28.5177.900000115.3
109D55.2Low59.5Low161 Ų161120.1 Ų120.186%0.86167%0.67SS**THydrogen-bonded Turntrans-121.8-0.9-161.8-146.633.8000115.5
110T53.6Low59.4Low113 Ų113119.8 Ų119.869%0.69367%0.674SS**  trans-120.40.517947.20000114.6K106 I112K106-T110 PolarHBondContact O-OG1 3.21Å; T110-I112 PolarHBondContact O-N 3.4Å
111A59.6Low59.5Low82 Ų82119.8 Ų119.868%0.67869%0.687SS**  trans-71.8101.5176.600000109.5P113A111-P113 VanDerWaalsContact O-CD 3.29Å; A111-P113 WeakPolarHBondContact O-CD 3.38Å
112I59.6Low59.7Low157 Ų157125.3 Ų125.381%0.80570%0.703SS**  trans-67.2119.7169.6-59.4175.6000107T110 F114T110-I112 PolarHBondContact O-N 3.4Å; I112-F114 PolarHBondContact O-N 3.24Å
113P66.7Low59.8Low92 Ų92126.8 Ų126.860%0.59771%0.709SS**  trans-59.6124.8176.5-21.833.3000110.1A111 H115A111-P113 VanDerWaalsContact O-CD 3.29Å; A111-P113 WeakPolarHBondContact O-CD 3.38Å; P113-H115 PolarHBondContact O-N 2.91Å
114F54.9Low60Low181 Ų181125.4 Ų125.479%0.79471%0.71SS**  trans-74.2113.5171176.5-101.9000108.9I112I112-F114 PolarHBondContact O-N 3.24Å
115H63.9Low60.1Low140 Ų140128.4 Ų128.465%0.64872%0.721SS**  trans-100.1114.9166.6-64.4-75.7000107.6P113 T117P113-H115 PolarHBondContact O-N 2.91Å; H115-T117 VanDerWaalsContact C-N 3.34Å; H115-T117 PolarHBondContact O-N 2.8Å; H115-T117 PolarHBondContact O-OG1 2.92Å
116S56.6Low60.2Low105 Ų105131.4 Ų131.473%0.73473%0.726SS**  trans-59.999.117234.20000108.9
117T63.1Low60.8Low100 Ų100126 Ų12661%0.61371%0.706SS**  trans-113.9132.7169.738.20000106.1H115 D119H115-T117 VanDerWaalsContact C-N 3.34Å; H115-T117 PolarHBondContact O-N 2.8Å; H115-T117 PolarHBondContact O-OG1 2.92Å; T117-D119 PolarHBondContact O-N 3.35Å
118D60.3Low61.1Low179 Ų179126.3 Ų126.396%0.95770%0.704SS**SBendtrans-67.2-14.5-173.5-73.6-67000113.7
119D63.5Low61.6Low134 Ų134128 Ų12872%0.71770%0.698SS**SBendtrans-121.5113.4-179.3-157.112.8000110.3T117T117-D119 PolarHBondContact O-N 3.35Å
120P60.4Low61.8Low96 Ų96122.5 Ų122.562%0.62367%0.673SS**  trans-61.7140.7179.723.8-31.9000110.2R122P120-R122 PolarHBondContact O-N 3.29Å
121P64.7Low62.2Low123 Ų123126.7 Ų126.780%0.79968%0.676SS**  trans-60106.1-176.423.2-32.3000110.1
122R67.3Low62.2Low229 Ų229129.9 Ų129.986%0.86468%0.681SS**PPolyproline II helixtrans-63.4128.4171.8-179.8-179.5-87.2-129.4-1.4107.8P120 T124P120-R122 PolarHBondContact O-N 3.29Å; R122-T124 PolarHBondContact O-N 3.31Å
123P63.8Low62Low74 Ų74133.7 Ų133.748%0.48170%0.698SS.*PPolyproline II helixtrans-52.5134.7172.8-24.433000110
124T64.1Low61.8Low106 Ų106135.8 Ų135.865%0.6570%0.703SS**PPolyproline II helixtrans-57.9143.8173.751.20000109R122 D126 S127 S130R122-T124 PolarHBondContact O-N 3.31Å; T124-D126 PolarHBondContact O-N 2.88Å; T124-S127 VanDerWaalsContact O-CB 3.25Å; T124-S127 WeakPolarHBondContact O-CB 3.44Å; T124-S127 PolarHBondContact O-N 3.23Å; T124-S130 PolarHBondContact O-OG 3.05Å
125F59.1Low62.1Low182 Ų182133.4 Ų133.480%0.79870%0.699SS**THydrogen-bonded Turntrans-53.7-28.8-172-177.4-100.3000113.3S130F125-S130 PolarHBondContact O-OG 2.88Å
126D61.3Low62Low147 Ų147133 Ų13379%0.78670%0.702SS**THydrogen-bonded Turntrans-93.48.8-179.5-55.4-55.7000114.7T124T124-D126 PolarHBondContact O-N 2.88Å
127S70.6Confident62.4Low35 Ų35134.6 Ų134.625%0.24570%0.7CS.*SBendtrans-66.6149.5176.6-1780000111.6T124 L129 S130T124-S127 VanDerWaalsContact O-CB 3.25Å; T124-S127 WeakPolarHBondContact O-CB 3.44Å; T124-S127 PolarHBondContact O-N 3.23Å; S127-L129 PolarHBondContact O-N 2.94Å; S127-L129 PolarHBondContact OG-N 3.13Å; S127-S130 PolarHBondContact N-OG 2.81Å; S127-S130 PolarHBondContact O-N 3.37Å; S127-S130 VanDerWaalsContact O-N 3.13Å; S127-S130 PolarHBondContact O-OG 3.06Å
128L61.7Low62.3Low120 Ų120136.8 Ų136.863%0.62871%0.705SS**Hα-helixtrans-57.3-33.1172.3-69.6173.3000111.5S130 R131L128-S130 VanDerWaalsContact C-N 3.34Å; L128-S130 PolarHBondContact O-N 3.49Å; L128-R131 PolarHBondContact O-N 3.09Å
129L63.1Low62.5Low131 Ų131134 Ų13469%0.68669%0.688SS**Hα-helixtrans-68.4-25.7178.7-72.7168.2000114.2S127S127-L129 PolarHBondContact O-N 2.94Å; S127-L129 PolarHBondContact OG-N 3.13Å
130S60.2Low62.4Low47 Ų47134 Ų13433%0.32969%0.686SS.*Hα-helixtrans-83.4-16176.3460000112.8T124 F125 S127 L128T124-S130 PolarHBondContact O-OG 3.05Å; F125-S130 PolarHBondContact O-OG 2.88Å; S127-S130 PolarHBondContact N-OG 2.81Å; S127-S130 PolarHBondContact O-N 3.37Å; S127-S130 VanDerWaalsContact O-N 3.13Å; S127-S130 PolarHBondContact O-OG 3.06Å; L128-S130 VanDerWaalsContact C-N 3.34Å; L128-S130 PolarHBondContact O-N 3.49Å
131R63Low62.5Low201 Ų201136.9 Ų136.976%0.75869%0.691SS**Hα-helixtrans-90-14.1-176.9-138.4170.565.1-173.30.6113.7L128L128-R131 PolarHBondContact O-N 3.09Å
132D58.5Low62.4Low148 Ų148138.1 Ų138.179%0.79168%0.682SS**  trans-99.113.3-179.7-80.9-46.5000113.6
133M55.7Low61.9Low237 Ų237129.8 Ų129.8100%1.16767%0.665SS**  trans-109.20173.7-76.2-85.9-174.400111.9

Retrieved 133 of 133 residues in 67.5 ms (Link to these results)