A0A096NNC5_PAPAN Loading...

Proteasomal ubiquitin receptor ADRM1

AlphaFold DB (A0A2K5NRN3), UniProt , Accession A0A096NNC5, Species PAPAN (Papio anubis, Olive baboon), Gene ADRM1, Length 407 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
1M44Very low53.7Low246 Ų246136.5 Ų136.5100%1.21282%0.815SS**  080.20-71163.7157.500107.7
2T48.1Very low54.1Low138 Ų138136 Ų13685%0.84781%0.813SS**  trans-86.7124171.743.50000106.6S4T2-S4 PolarHBondContact O-N 3.46Å; T2-S4 VanDerWaalsContact O-N 3.14Å
3T54.8Low54Low140 Ų140135.2 Ų135.286%0.85981%0.813SS**  trans-57.5117.4-174.3-179.90000110.5
4S58.4Low53.8Low131 Ų131130.4 Ų130.492%0.91680%0.804SS**  trans-95.799.8168.8-157.90000105.8T2T2-S4 PolarHBondContact O-N 3.46Å; T2-S4 VanDerWaalsContact O-N 3.14Å
5G53.1Low53.4Low48 Ų48128.2 Ų128.250%0.49580%0.796SS.*  trans-144.5125.3175.400000107.2L7G5-L7 PolarHBondContact O-N 3.44Å
6A56.3Low53.2Low85 Ų85135.8 Ų135.870%0.70281%0.806SS**  trans-45.2112.4-173.700000112.4F8A6-F8 HydrophobicContact CB-CE2 4.17Å; A6-F8 PolarHBondContact O-N 3.08Å
7L57.2Low52.4Low173 Ų173130.9 Ų130.991%0.90679%0.79SS**  trans-76.787.6174-63.7173.7000108.5G5G5-L7 PolarHBondContact O-N 3.44Å
8F65.1Low52Low179 Ų179129.1 Ų129.179%0.78579%0.791SS**  trans-63.9135.7158.1-68.6-84.2000107.8A6 S10A6-F8 HydrophobicContact CB-CE2 4.17Å; A6-F8 PolarHBondContact O-N 3.08Å; F8-S10 PolarHBondContact O-N 3.13Å; F8-S10 VanDerWaalsContact O-N 3.13Å
9P54.3Low51.8Low102 Ų102126.7 Ų126.766%0.66278%0.781SS**  trans-64.5122.1178.730.1-35.6000108.2L11P9-L11 HydrophobicContact CB-CD1 3.53Å; P9-L11 HydrophobicContact CG-CD1 3.83Å; P9-L11 PolarHBondContact O-N 2.93Å
10S48.3Very low52.2Low125 Ų125127.7 Ų127.787%0.87478%0.78SS**  trans-67.169.7170.8175.80000109.3F8 V12F8-S10 PolarHBondContact O-N 3.13Å; F8-S10 VanDerWaalsContact O-N 3.13Å; S10-V12 PolarHBondContact O-N 3.29Å
11L50.9Low53.3Low135 Ų135127.9 Ų127.971%0.70777%0.771SS**  trans-74.9117.5163.6-8974000106.5P9P9-L11 HydrophobicContact CB-CD1 3.53Å; P9-L11 HydrophobicContact CG-CD1 3.83Å; P9-L11 PolarHBondContact O-N 2.93Å
12V58.4Low55.4Low130 Ų130118.3 Ų118.379%0.78872%0.721SS**  trans-45.8122.9160.9-83.70000108.1S10 G14S10-V12 PolarHBondContact O-N 3.29Å; V12-G14 PolarHBondContact O-N 3.28Å
13P53.1Low57.2Low126 Ų126114.2 Ų114.282%0.81869%0.694SS**  trans-62.7111.3177.924.1-30.3000107.1S15P13-S15 PolarHBondContact O-N 2.87Å
14G51.3Low58.9Low67 Ų67107.9 Ų107.969%0.69166%0.655SS**  trans-59.9106.517300000107.9V12 R16V12-G14 PolarHBondContact O-N 3.28Å; G14-R16 VanDerWaalsContact C-N 3.25Å; G14-R16 PolarHBondContact O-N 3.2Å
15S47.9Very low60.5Low98 Ų98106.6 Ų106.669%0.68564%0.635SS**  trans-65.989.5175.1-169.30000108.6P13 G17P13-S15 PolarHBondContact O-N 2.87Å; S15-G17 VanDerWaalsContact C-N 3.27Å
16R50.3Low62.4Low250 Ų250104.4 Ų104.494%0.94361%0.611SS**  trans-96.323.9166-77.4-175.4161.9171.9-3.8110.9G14 A18G14-R16 VanDerWaalsContact C-N 3.25Å; G14-R16 PolarHBondContact O-N 3.2Å; R16-A18 PolarHBondContact O-N 3.34Å
17G39.1Very low64.2Low52 Ų52105.1 Ų105.154%0.53660%0.596SS.*SBendtrans-89.697.6173.600000109.7S15 S19S15-G17 VanDerWaalsContact C-N 3.27Å; G17-S19 PolarHBondContact O-N 3.36Å
18A45.7Very low65.9Low99 Ų9996.9 Ų96.982%0.81855%0.553SS**SBendtrans34.728.6157.600000118.9R16 N20R16-A18 PolarHBondContact O-N 3.34Å; A18-N20 VanDerWaalsContact C-N 3.35Å; A18-N20 PolarHBondContact O-N 3.01Å; A18-N20 VanDerWaalsContact O-N 3.15Å
19S47.1Very low67.2Low84 Ų8488.4 Ų88.459%0.58752%0.516SS*.  trans-86.485.8171.649.60000106.3G17 K21G17-S19 PolarHBondContact O-N 3.36Å; S19-K21 VanDerWaalsContact C-N 3.28Å; S19-K21 PolarHBondContact O-N 2.66Å
20N59.8Low69Low145 Ų14585 Ų8578%0.77549%0.49SS*.  trans-56.9101.9166.6-74-54.8000106.9A18 Y22A18-N20 VanDerWaalsContact C-N 3.35Å; A18-N20 PolarHBondContact O-N 3.01Å; A18-N20 VanDerWaalsContact O-N 3.15Å; N20-Y22 PolarHBondContact O-N 3.09Å; N20-Y22 VanDerWaalsContact O-N 3.15Å
21K76.3Confident70.8Confident133 Ų13380.9 Ų80.958%0.57846%0.458SS*.SBendtrans-59.3-25.1-179.8-175.6179.7175.9-177.60111.1S19 Q50S19-K21 VanDerWaalsContact C-N 3.28Å; S19-K21 PolarHBondContact O-N 2.66Å; K21-Q50 WeakPolarHBondContact O-CG 3.19Å; K21-Q50 PolarHBondContact O-NE2 2.89Å
22Y87.1Confident72.3Confident45 Ų4577.5 Ų77.518%0.17645%0.445CS..  trans-119.2135.2-175.8-49.1-47.1000109.4N20 E25 Y48 I49 Q50N20-Y22 PolarHBondContact O-N 3.09Å; N20-Y22 VanDerWaalsContact O-N 3.15Å; Y22-E25 HydrophobicContact CD2-CB 4.43Å; Y22-E25 VanDerWaalsContact CD2-OE2 3.26Å; Y22-E25 WeakPolarHBondContact CD2-OE2 3.29Å; Y22-Y48 AromaticContact CD1-CD2 3.26Å; Y22-Y48 HydrophobicContact CD1-CD2 3.26Å; Y22-Y48 AromaticContact CD1-CE2 3.82Å; Y22-Y48 HydrophobicContact CD1-CE2 3.82Å; Y22-Y48 HydrophobicContact CD1-CG 4.03Å; Y22-Y48 HydrophobicContact CD2-CD2 4.46Å; Y22-Y48 HydrophobicContact CD2-CG 4.48Å; Y22-Y48 AromaticContact CE1-CD2 3.25Å; Y22-Y48 HydrophobicContact CE1-CD2 3.25Å; Y22-Y48 AromaticContact CE1-CE2 3.34Å; Y22-Y48 HydrophobicContact CE1-CE2 3.34Å; Y22-Y48 HydrophobicContact CE1-CG 4.05Å; Y22-Y48 HydrophobicContact CE2-CD2 4.47Å; Y22-Y48 AromaticContact CG-CD2 3.88Å; Y22-Y48 HydrophobicContact CG-CD2 3.88Å; Y22-Y48 HydrophobicContact CG-CG 4.22Å; Y22-Y48 AromaticContact CZ-CD2 3.88Å; Y22-Y48 AromaticContact CZ-CE2 3.97Å; Y22-I49 CarbonylContact C-O 3.23Å; Y22-I49 WeakPolarHBondContact CA-O 3.13Å; Y22-Q50 HydrophobicContact CD1-CB 4.17Å
23L86.9Confident73Confident51 Ų5175.5 Ų75.527%0.26743%0.43SS..SBendtrans-66.5-42173.2-69.1156.2000110.4I49 Q51 I57 Y127 P132L23-I49 HydrophobicContact CB-CB 4.49Å; L23-I49 HydrophobicContact CB-CG2 4.41Å; L23-I49 HydrophobicContact CD1-CG2 3.98Å; L23-I49 PolarHBondContact N-O 3.26Å; L23-Q51 HydrophobicContact CD1-CB 3.99Å; L23-I57 HydrophobicContact CD1-CD1 3.99Å; L23-Y127 HydrophobicContact CB-CD1 4.19Å; L23-Y127 HydrophobicContact CB-CD2 4.3Å; L23-Y127 HydrophobicContact CB-CE1 4.16Å; L23-Y127 HydrophobicContact CB-CE2 4.28Å; L23-Y127 HydrophobicContact CB-CG 4.27Å; L23-Y127 HydrophobicContact CD1-CD1 4.25Å; L23-Y127 HydrophobicContact CD2-CD1 3.9Å; L23-Y127 HydrophobicContact CD2-CE1 3.58Å; L23-Y127 HydrophobicContact CG-CD1 4.35Å; L23-Y127 HydrophobicContact CG-CE1 4.36Å; L23-P132 HydrophobicContact CD2-CG 4.11Å
24V91.1Very high73.8Confident8 Ų875.9 Ų75.95%0.04842%0.419CS..EExtended strand (participates in β ladder)trans-141.1140175.7-169.40000108F26 Y48 I49 K123 V124 Y127V24-F26 HydrophobicContact CG1-CD1 3.97Å; V24-F26 HydrophobicContact CG1-CE1 4.36Å; V24-Y48 CarbonylContact O-C 3.58Å; V24-Y48 WeakPolarHBondContact O-CA 3.32Å; V24-Y48 WeakPolarHBondContact O-CB 3.35Å; V24-I49 HydrophobicContact CB-CB 4.37Å; V24-I49 HydrophobicContact CB-CD1 4.4Å; V24-I49 HydrophobicContact CB-CG1 4.46Å; V24-I49 HydrophobicContact CG2-CD1 4.43Å; V24-I49 PolarHBondContact O-N 3.47Å; V24-K123 HydrophobicContact CG1-CB 4.43Å; V24-K123 HydrophobicContact CG2-CB 3.97Å; V24-V124 HydrophobicContact CG1-CG2 4.29Å; V24-Y127 HydrophobicContact CG2-CD2 3.19Å; V24-Y127 HydrophobicContact CG2-CE2 3.32Å; V24-Y127 HydrophobicContact CG2-CG 4.33Å
25E91.6Very high74.6Confident103 Ų10373.5 Ų73.548%0.48139%0.394SS..EExtended strand (participates in β ladder)trans-141.3141.6164.861.3176.2179.300110Y22 L46 V47Y22-E25 HydrophobicContact CD2-CB 4.43Å; Y22-E25 VanDerWaalsContact CD2-OE2 3.26Å; Y22-E25 WeakPolarHBondContact CD2-OE2 3.29Å; E25-L46 HydrophobicContact CB-CD2 4.29Å; E25-V47 VanDerWaalsContact CA-O 3.31Å; E25-V47 WeakPolarHBondContact CA-O 3.25Å
26F93.1Very high75.3Confident2 Ų272 Ų721%0.00938%0.381CS..EExtended strand (participates in β ladder)trans-156.3155.3176.559.5-84.5000110.8V24 A28 L46 V47 F82 M109 H120 V124V24-F26 HydrophobicContact CG1-CD1 3.97Å; V24-F26 HydrophobicContact CG1-CE1 4.36Å; F26-A28 HydrophobicContact CD2-CB 3.8Å; F26-A28 HydrophobicContact CE2-CB 3.6Å; F26-A28 PolarHBondContact O-N 3.47Å; F26-L46 WeakPolarHBondContact O-CD1 3.44Å; F26-V47 HydrophobicContact CD1-CB 4.38Å; F26-V47 HydrophobicContact CD1-CG1 4.44Å; F26-V47 HydrophobicContact CD2-CB 4.34Å; F26-V47 HydrophobicContact CE1-CB 3.9Å; F26-V47 HydrophobicContact CE1-CG1 3.61Å; F26-V47 HydrophobicContact CE2-CB 3.87Å; F26-V47 HydrophobicContact CE2-CG1 4.25Å; F26-V47 HydrophobicContact CE2-CG2 4.14Å; F26-V47 HydrophobicContact CZ-CB 3.64Å; F26-V47 HydrophobicContact CZ-CG1 3.5Å; F26-V47 HydrophobicContact CZ-CG2 4.17Å; F26-V47 PolarHBondContact N-O 3.11Å; F26-V47 PolarHBondContact O-N 2.8Å; F26-F82 HydrophobicContact CZ-CZ 4.35Å; F26-M109 HydrophobicContact CD2-CE 4.01Å; F26-M109 HydrophobicContact CD2-SD 3.5Å; F26-M109 VanDerWaalsContact CD2-SD 3.5Å; F26-M109 HydrophobicContact CE2-CE 3.65Å; F26-M109 HydrophobicContact CE2-SD 3.52Å; F26-M109 VanDerWaalsContact CE2-SD 3.52Å; F26-M109 HydrophobicContact CZ-CE 4.32Å; F26-H120 HydrophobicContact CD1-CB 4.38Å; F26-H120 HydrophobicContact CG-CB 4.4Å; F26-V124 HydrophobicContact CD1-CG2 4.49Å; F26-V124 HydrophobicContact CE1-CG2 3.55Å; F26-V124 HydrophobicContact CZ-CG2 4.12Å
27R93.6Very high76.1Confident101 Ų10162.8 Ų62.838%0.38135%0.352SS..  trans-80.3114.7179-61.8165.4-173.8-178.46109.6L46 Q110 E111R27-L46 HydrophobicContact CG-CD1 3.81Å; R27-Q110 HydrophobicContact CB-CB 3.98Å; R27-Q110 PolarHBondContact O-N 3.31Å; R27-E111 HydrophobicContact CB-CG 4.35Å; R27-E111 VanDerWaalsContact CB-OE1 3.25Å; R27-E111 WeakPolarHBondContact CB-OE1 3.11Å; R27-E111 VanDerWaalsContact CD-OE1 3.29Å; R27-E111 WeakPolarHBondContact CD-OE1 3.29Å; R27-E111 WeakPolarHBondContact CG-OE1 3.43Å; R27-E111 PolarHBondContact N-OE1 3.38Å; R27-E111 IonicContact NE-OE1 2.72Å
28A93.7Very high77.9Confident0 Ų063 Ų630%034%0.343CS..EExtended strand (participates in β ladder)trans-148.4142.5173.500000110.8F26 G45 V47 W61 W108 M109F26-A28 HydrophobicContact CD2-CB 3.8Å; F26-A28 HydrophobicContact CE2-CB 3.6Å; F26-A28 PolarHBondContact O-N 3.47Å; A28-G45 PolarHBondContact N-O 2.95Å; A28-G45 CarbonylContact O-C 3.46Å; A28-G45 VanDerWaalsContact O-C 3.23Å; A28-G45 WeakPolarHBondContact O-CA 3.17Å; A28-V47 HydrophobicContact CB-CG2 3.89Å; A28-W61 PolarHBondContact O-NE1 3.45Å; A28-W108 CarbonylContact C-O 3.58Å; A28-W108 WeakPolarHBondContact CA-O 3.38Å; A28-W108 WeakPolarHBondContact CB-O 3.14Å; A28-M109 HydrophobicContact CB-SD 4.2Å
29G92.5Very high79.6Confident0 Ų060.9 Ų60.90%032%0.32CS..EExtended strand (participates in β ladder)trans-87.7158.4168.500000110.6F107 W108G29-F107 CarbonylContact O-C 3.34Å; G29-F107 VanDerWaalsContact O-CA 3.24Å; G29-F107 WeakPolarHBondContact O-CA 3.32Å; G29-W108 PolarHBondContact N-O 2.88Å; G29-W108 PolarHBondContact O-N 3.17Å
30K90.6Very high81.5Confident31 Ų3160 Ų6014%0.13531%0.312CS..EExtended strand (participates in β ladder)trans-97.4161.2171.264.3179.1176.1-178.60110.5D41 W61 E70 D71 F106 F107K30-D41 HydrophobicContact CG-CB 4.21Å; K30-D41 WeakPolarHBondContact O-CB 3.41Å; K30-D41 PolarHBondContact O-N 3.01Å; K30-W61 HydrophobicContact CD-CD2 3.9Å; K30-W61 HydrophobicContact CD-CE3 3.85Å; K30-W61 HydrophobicContact CD-CG 4.46Å; K30-W61 HydrophobicContact CD-CH2 4.33Å; K30-W61 HydrophobicContact CD-CZ2 4.39Å; K30-W61 HydrophobicContact CD-CZ3 4.08Å; K30-W61 VanDerWaalsContact CE-CZ3 3.46Å; K30-W61 HydrophobicContact CG-CD2 4.2Å; K30-W61 HydrophobicContact CG-CE3 4.48Å; K30-W61 HydrophobicContact CG-CH2 4.32Å; K30-W61 HydrophobicContact CG-CZ2 4.03Å; K30-E70 WeakPolarHBondContact CE-OE2 3.21Å; K30-E70 IonicContact NZ-OE2 2.67Å; K30-E70 PolarHBondContact NZ-OE2 2.85Å; K30-D71 WeakPolarHBondContact CD-OD2 3.37Å; K30-D71 IonicContact NZ-OD2 3.65Å; K30-D71 PolarHBondContact NZ-OD2 3.39Å; K30-F106 CarbonylContact C-O 3.51Å; K30-F107 HydrophobicContact CB-CD1 4.02Å; K30-F107 HydrophobicContact CB-CE1 3.93Å
31M87.7Confident82.9Confident39 Ų3955 Ų5519%0.19229%0.286CS..EExtended strand (participates in β ladder)trans-114.5137.3163.5-42.8-173.7172.700108.1V38 T39 P40 V93 F106 W108M31-V38 HydrophobicContact CB-CG1 3.59Å; M31-V38 HydrophobicContact CG-CG1 4.36Å; M31-V38 HydrophobicContact SD-CG1 3.87Å; M31-T39 WeakPolarHBondContact CA-O 3.38Å; M31-P40 HydrophobicContact CE-CB 4.36Å; M31-P40 HydrophobicContact CG-CB 4.21Å; M31-P40 HydrophobicContact SD-CB 4.49Å; M31-V93 HydrophobicContact CE-CG1 3.83Å; M31-V93 HydrophobicContact CE-CG2 3.92Å; M31-F106 HydrophobicContact CB-CB 3.93Å; M31-F106 HydrophobicContact CG-CB 3.9Å; M31-F106 PolarHBondContact N-O 3.25Å; M31-F106 HydrophobicContact SD-CB 3.89Å; M31-W108 HydrophobicContact CE-CB 3.95Å; M31-W108 HydrophobicContact CE-CG 4.29Å
32S80.5Confident83.4Confident63 Ų6357.9 Ų57.944%0.44130%0.298SS..EExtended strand (participates in β ladder)trans-110.2139.3176.5-173.60000109K34 T39S32-K34 PolarHBondContact O-N 3.44Å; S32-T39 PolarHBondContact N-O 3.49Å; S32-T39 PolarHBondContact O-N 3.47Å
33L73.4Confident83.5Confident88 Ų8861.4 Ų61.446%0.46131%0.311SS..EExtended strand (participates in β ladder)trans-82.4109.1176.8-167.1148.2000107.6G35 V38 V276L33-G35 WeakPolarHBondContact CD2-O 3.12Å; L33-V38 HydrophobicContact CD1-CG2 4.28Å; L33-V38 HydrophobicContact CG-CG2 4.47Å; L33-V276 HydrophobicContact CD2-CG1 4.33Å
34K70.6Confident83.8Confident135 Ų13565.3 Ų65.359%0.58733%0.326SS*.EExtended strand (participates in β ladder)trans-100.396175.3-70.3-173176.6-176.70108S32 T36 T37S32-K34 PolarHBondContact O-N 3.44Å; K34-T36 PolarHBondContact O-N 2.88Å; K34-T36 VanDerWaalsContact O-N 3.15Å; K34-T37 PolarHBondContact N-O 3.41Å; K34-T37 PolarHBondContact O-N 3.43Å
35G69.1Low83.9Confident17 Ų1765 Ų6518%0.17532%0.324CS..THydrogen-bonded Turntrans73.3-95.7-17700000113.3L33L33-G35 WeakPolarHBondContact CD2-O 3.12Å
36T62.2Low83.9Confident67 Ų6761 Ų6141%0.41131%0.306SS..THydrogen-bonded Turntrans-120.9-7.4172-1710000112.6K34 Q337K34-T36 PolarHBondContact O-N 2.88Å; K34-T36 VanDerWaalsContact O-N 3.15Å; T36-Q337 HydrophobicContact CG2-CB 3.6Å; T36-Q337 HydrophobicContact CG2-CG 4.08Å
37T65.8Low84Confident55 Ų5560.9 Ų60.934%0.33731%0.305SS..EExtended strand (participates in β ladder)trans-96.7125.9178.1-59.20000111.3K34 T39 Q337K34-T37 PolarHBondContact N-O 3.41Å; K34-T37 PolarHBondContact O-N 3.43Å; T37-T39 PolarHBondContact O-N 3.4Å; T37-Q337 VanDerWaalsContact OG1-CD 3.31Å; T37-Q337 PolarHBondContact OG1-NE2 3.5Å; T37-Q337 PolarHBondContact OG1-OE1 3.3Å
38V77.8Confident83.9Confident57 Ų5756.8 Ų56.835%0.34529%0.29SS..EExtended strand (participates in β ladder)trans-77.6110171.4-179.70000108.7M31 L33 F106M31-V38 HydrophobicContact CB-CG1 3.59Å; M31-V38 HydrophobicContact CG-CG1 4.36Å; M31-V38 HydrophobicContact SD-CG1 3.87Å; L33-V38 HydrophobicContact CD1-CG2 4.28Å; L33-V38 HydrophobicContact CG-CG2 4.47Å; V38-F106 HydrophobicContact CG1-CD2 4.24Å; V38-F106 HydrophobicContact CG2-CE2 4.43Å
39T81.3Confident83.8Confident54 Ų5456.8 Ų56.833%0.33129%0.29SS..EExtended strand (participates in β ladder)trans-102.6125179.5-550000110.1M31 S32 T37 D41M31-T39 WeakPolarHBondContact CA-O 3.38Å; S32-T39 PolarHBondContact N-O 3.49Å; S32-T39 PolarHBondContact O-N 3.47Å; T37-T39 PolarHBondContact O-N 3.4Å; T39-D41 PolarHBondContact O-N 3Å
40P87.3Confident83.7Confident66 Ų6659.1 Ų59.143%0.42930%0.301SS..EExtended strand (participates in β ladder)trans-70.1132.2175.528.8-33.4000110.7M31 K42M31-P40 HydrophobicContact CE-CB 4.36Å; M31-P40 HydrophobicContact CG-CB 4.21Å; M31-P40 HydrophobicContact SD-CB 4.49Å; P40-K42 PolarHBondContact O-N 3.49Å
41D88.1Confident83.5Confident40 Ų4060.5 Ų60.521%0.21431%0.308CS..PPolyproline II helixtrans-75120.7169.9-164.2-22.4000109K30 T39 R43 W108K30-D41 HydrophobicContact CG-CB 4.21Å; K30-D41 WeakPolarHBondContact O-CB 3.41Å; K30-D41 PolarHBondContact O-N 3.01Å; T39-D41 PolarHBondContact O-N 3Å; D41-R43 PolarHBondContact O-N 3.22Å; D41-R43 VanDerWaalsContact OD1-CB 3.26Å; D41-R43 WeakPolarHBondContact OD1-CB 3.5Å; D41-R43 WeakPolarHBondContact OD1-CG 3.38Å; D41-R43 PolarHBondContact OD1-N 3.39Å; D41-W108 WeakPolarHBondContact O-CZ2 3.34Å; D41-W108 PolarHBondContact O-NE1 3.19Å; D41-W108 VanDerWaalsContact O-NE1 3.13Å
42K88Confident83.2Confident193 Ų19360.5 Ų60.584%0.83931%0.31SS*.  trans-76.7-6.6179.6-64.6-177.7179.91780112.5P40P40-K42 PolarHBondContact O-N 3.49Å
43R89.9Confident83Confident120 Ų12065.3 Ų65.345%0.45333%0.331SS..SBendtrans-67.1153.6178.7-69.8174.8177-1740.2111.9D41 G45 D63 E70 Q110D41-R43 PolarHBondContact O-N 3.22Å; D41-R43 VanDerWaalsContact OD1-CB 3.26Å; D41-R43 WeakPolarHBondContact OD1-CB 3.5Å; D41-R43 WeakPolarHBondContact OD1-CG 3.38Å; D41-R43 PolarHBondContact OD1-N 3.39Å; R43-G45 PolarHBondContact O-N 2.78Å; R43-D63 IonicContact NH1-OD2 3.2Å; R43-E70 IonicContact NH1-OE1 3.88Å; R43-E70 PolarHBondContact NH1-OE1 3.49Å; R43-Q110 PolarHBondContact O-NE2 2.98Å
44K91.9Very high83.2Confident133 Ų13366.1 Ų66.158%0.57834%0.336SS*.  trans-80108.9175.8-69.3-178-178.3175.90108.7R64K44-R64 HydrophobicContact CB-CB 4.18Å; K44-R64 VanDerWaalsContact O-CB 3.23Å; K44-R64 WeakPolarHBondContact O-CB 3.39Å; K44-R64 WeakPolarHBondContact O-CG 3.48Å; K44-R64 PolarHBondContact O-N 3.34Å
45G92.9Very high83.5Confident0 Ų061.6 Ų61.60%032%0.321CS..EExtended strand (participates in β ladder)trans-101.6158.8-179.500000113A28 R43 K62 R64 Q110A28-G45 PolarHBondContact N-O 2.95Å; A28-G45 CarbonylContact O-C 3.46Å; A28-G45 VanDerWaalsContact O-C 3.23Å; A28-G45 WeakPolarHBondContact O-CA 3.17Å; R43-G45 PolarHBondContact O-N 2.78Å; G45-K62 CarbonylContact C-O 3.57Å; G45-K62 WeakPolarHBondContact CA-O 3.47Å; G45-R64 VanDerWaalsContact O-CD 3.31Å; G45-R64 WeakPolarHBondContact O-CD 3.43Å; G45-Q110 VanDerWaalsContact N-OE1 3.17Å
46L92.9Very high84.2Confident20 Ų2062.2 Ų62.211%0.10532%0.32CS..EExtended strand (participates in β ladder)trans-126.8121.1162.6-163.182.6000108.2E25 F26 R27 K62 R64E25-L46 HydrophobicContact CB-CD2 4.29Å; F26-L46 WeakPolarHBondContact O-CD1 3.44Å; R27-L46 HydrophobicContact CG-CD1 3.81Å; L46-K62 HydrophobicContact CB-CG 3.9Å; L46-K62 PolarHBondContact N-O 2.8Å; L46-K62 PolarHBondContact O-N 3.31Å; L46-R64 HydrophobicContact CB-CG 3.94Å
47V93.9Very high85.5Confident0 Ų059.1 Ų59.10%030%0.301CS..EExtended strand (participates in β ladder)trans-87133.8166.5174.70000107.2E25 F26 A28 F59 C60 F107E25-V47 VanDerWaalsContact CA-O 3.31Å; E25-V47 WeakPolarHBondContact CA-O 3.25Å; F26-V47 HydrophobicContact CD1-CB 4.38Å; F26-V47 HydrophobicContact CD1-CG1 4.44Å; F26-V47 HydrophobicContact CD2-CB 4.34Å; F26-V47 HydrophobicContact CE1-CB 3.9Å; F26-V47 HydrophobicContact CE1-CG1 3.61Å; F26-V47 HydrophobicContact CE2-CB 3.87Å; F26-V47 HydrophobicContact CE2-CG1 4.25Å; F26-V47 HydrophobicContact CE2-CG2 4.14Å; F26-V47 HydrophobicContact CZ-CB 3.64Å; F26-V47 HydrophobicContact CZ-CG1 3.5Å; F26-V47 HydrophobicContact CZ-CG2 4.17Å; F26-V47 PolarHBondContact N-O 3.11Å; F26-V47 PolarHBondContact O-N 2.8Å; A28-V47 HydrophobicContact CB-CG2 3.89Å; V47-F59 HydrophobicContact CG1-CE1 4.04Å; V47-F59 HydrophobicContact CG1-CE2 3.7Å; V47-F59 HydrophobicContact CG1-CZ 3.41Å; V47-F59 VanDerWaalsContact CG1-CZ 3.41Å; V47-F59 HydrophobicContact CG2-CZ 4.45Å; V47-C60 WeakPolarHBondContact CA-O 3.45Å; V47-F107 HydrophobicContact CG2-CD1 4.09Å; V47-F107 HydrophobicContact CG2-CE1 4.32Å
48Y92.3Very high86.6Confident14 Ų1457.6 Ų57.66%0.05529%0.29CS..EExtended strand (participates in β ladder)trans-143.1150.2171.465-83.7000110.8Y22 V24 Q50 C60 K62 V69Y22-Y48 AromaticContact CD1-CD2 3.26Å; Y22-Y48 HydrophobicContact CD1-CD2 3.26Å; Y22-Y48 AromaticContact CD1-CE2 3.82Å; Y22-Y48 HydrophobicContact CD1-CE2 3.82Å; Y22-Y48 HydrophobicContact CD1-CG 4.03Å; Y22-Y48 HydrophobicContact CD2-CD2 4.46Å; Y22-Y48 HydrophobicContact CD2-CG 4.48Å; Y22-Y48 AromaticContact CE1-CD2 3.25Å; Y22-Y48 HydrophobicContact CE1-CD2 3.25Å; Y22-Y48 AromaticContact CE1-CE2 3.34Å; Y22-Y48 HydrophobicContact CE1-CE2 3.34Å; Y22-Y48 HydrophobicContact CE1-CG 4.05Å; Y22-Y48 HydrophobicContact CE2-CD2 4.47Å; Y22-Y48 AromaticContact CG-CD2 3.88Å; Y22-Y48 HydrophobicContact CG-CD2 3.88Å; Y22-Y48 HydrophobicContact CG-CG 4.22Å; Y22-Y48 AromaticContact CZ-CD2 3.88Å; Y22-Y48 AromaticContact CZ-CE2 3.97Å; V24-Y48 CarbonylContact O-C 3.58Å; V24-Y48 WeakPolarHBondContact O-CA 3.32Å; V24-Y48 WeakPolarHBondContact O-CB 3.35Å; Y48-Q50 HydrophobicContact CD2-CB 4.47Å; Y48-C60 HydrophobicContact CD1-CB 4.11Å; Y48-C60 HydrophobicContact CD2-CB 4.04Å; Y48-C60 HydrophobicContact CE1-CB 3.55Å; Y48-C60 HydrophobicContact CE2-CB 3.53Å; Y48-C60 HydrophobicContact CG-CB 4.33Å; Y48-C60 PolarHBondContact N-O 3.22Å; Y48-C60 PolarHBondContact O-N 3.45Å; Y48-K62 HydrophobicContact CD1-CD 4.14Å; Y48-K62 HydrophobicContact CD1-CG 4.17Å; Y48-K62 HydrophobicContact CE1-CB 4.07Å; Y48-K62 HydrophobicContact CE1-CD 3.7Å; Y48-K62 HydrophobicContact CE1-CG 3.8Å; Y48-V69 VanDerWaalsContact OH-CG2 3.27Å; Y48-V69 WeakPolarHBondContact OH-CG2 3.46Å
49I91.9Very high87.3Confident0 Ų055 Ų550%027%0.274CS..EExtended strand (participates in β ladder)trans-112.7127.8176.9-59.3-179.6000107.5Y22 L23 V24 I57 H58 F59 V124Y22-I49 CarbonylContact C-O 3.23Å; Y22-I49 WeakPolarHBondContact CA-O 3.13Å; L23-I49 HydrophobicContact CB-CB 4.49Å; L23-I49 HydrophobicContact CB-CG2 4.41Å; L23-I49 HydrophobicContact CD1-CG2 3.98Å; L23-I49 PolarHBondContact N-O 3.26Å; V24-I49 HydrophobicContact CB-CB 4.37Å; V24-I49 HydrophobicContact CB-CD1 4.4Å; V24-I49 HydrophobicContact CB-CG1 4.46Å; V24-I49 HydrophobicContact CG2-CD1 4.43Å; V24-I49 PolarHBondContact O-N 3.47Å; I49-I57 HydrophobicContact CG2-CG2 3.39Å; I49-H58 CarbonylContact C-O 3.6Å; I49-H58 VanDerWaalsContact CA-O 3.29Å; I49-H58 WeakPolarHBondContact CA-O 3.39Å; I49-F59 HydrophobicContact CD1-CD2 4.14Å; I49-F59 HydrophobicContact CG1-CD2 3.97Å; I49-V124 HydrophobicContact CD1-CB 4.14Å; I49-V124 HydrophobicContact CD1-CG1 3.95Å; I49-V124 HydrophobicContact CD1-CG2 3.89Å
50Q89.5Confident87.8Confident49 Ų4952.5 Ų52.523%0.22926%0.259CS..EExtended strand (participates in β ladder)trans-126.3142.1178.6-176.8164.717.700109.7K21 Y22 Y48 H58K21-Q50 WeakPolarHBondContact O-CG 3.19Å; K21-Q50 PolarHBondContact O-NE2 2.89Å; Y22-Q50 HydrophobicContact CD1-CB 4.17Å; Y48-Q50 HydrophobicContact CD2-CB 4.47Å; Q50-H58 PolarHBondContact N-O 2.91Å; Q50-H58 WeakPolarHBondContact O-CB 3.34Å; Q50-H58 PolarHBondContact O-N 3.37Å
51Q86.5Confident88.2Confident61 Ų6149.5 Ų49.529%0.28524%0.239SC..EExtended strand (participates in β ladder)trans-90.5125.6164.7-165.8175.122.600108.3L23 S55 L56L23-Q51 HydrophobicContact CD1-CB 3.99Å; Q51-S55 PolarHBondContact NE2-O 2.84Å; Q51-L56 WeakPolarHBondContact CA-O 3.31Å
52T80.8Confident88.4Confident39 Ų3949.5 Ų49.524%0.23924%0.237CC..  trans-85174171.742.10000111.2D54 S55 L56 H58T52-D54 PolarHBondContact O-N 3.31Å; T52-S55 PolarHBondContact O-N 3.33Å; T52-L56 PolarHBondContact N-O 2.93Å; T52-L56 PolarHBondContact OG1-O 3.36Å; T52-H58 WeakPolarHBondContact CG2-CD2 3.26Å; T52-H58 WeakPolarHBondContact CG2-NE2 3.26Å; T52-H58 PolarHBondContact OG1-CD2 2.94Å; T52-H58 PolarHBondContact OG1-NE2 3.45Å
53D77.4Confident88.7Confident164 Ų16440.4 Ų40.488%0.87720%0.198SC*.THydrogen-bonded Turntrans-62.5-22.8179.952.5-72.1000113.6S55D53-S55 PolarHBondContact O-N 2.89Å
54D76.9Confident88.6Confident104 Ų10439.9 Ų39.956%0.55620%0.196SC*.THydrogen-bonded Turntrans-77.14.2172.5-159.717.7000113T52 L56T52-D54 PolarHBondContact O-N 3.31Å; D54-L56 HydrophobicContact CB-CD1 3.66Å; D54-L56 WeakPolarHBondContact O-CD1 3.47Å; D54-L56 PolarHBondContact O-N 3.43Å; D54-L56 VanDerWaalsContact O-N 3.11Å; D54-L56 WeakPolarHBondContact OD2-CD1 3.23Å
55S77.9Confident88.4Confident41 Ų4138.4 Ų38.429%0.28720%0.198SC..SBendtrans64.85.3-176.4-51.50000115.4Q51 T52 D53Q51-S55 PolarHBondContact NE2-O 2.84Å; T52-S55 PolarHBondContact O-N 3.33Å; D53-S55 PolarHBondContact O-N 2.89Å
56L84Confident88Confident29 Ų2942.2 Ų42.215%0.15223%0.225CC..PPolyproline II helixtrans-78.3155.4172.6-72.4102.8000112.4Q51 T52 D54 I74 F76Q51-L56 WeakPolarHBondContact CA-O 3.31Å; T52-L56 PolarHBondContact N-O 2.93Å; T52-L56 PolarHBondContact OG1-O 3.36Å; D54-L56 HydrophobicContact CB-CD1 3.66Å; D54-L56 WeakPolarHBondContact O-CD1 3.47Å; D54-L56 PolarHBondContact O-N 3.43Å; D54-L56 VanDerWaalsContact O-N 3.11Å; D54-L56 WeakPolarHBondContact OD2-CD1 3.23Å; L56-I74 HydrophobicContact CB-CG2 3.84Å; L56-I74 HydrophobicContact CD2-CG2 3.44Å; L56-I74 VanDerWaalsContact CD2-CG2 3.44Å; L56-I74 HydrophobicContact CG-CG2 4.22Å; L56-F76 HydrophobicContact CD2-CD1 3.82Å; L56-F76 HydrophobicContact CD2-CE1 3.39Å; L56-F76 HydrophobicContact CD2-CZ 3.84Å
57I88.5Confident87.7Confident3 Ų343.8 Ų43.82%0.01525%0.246CC..EExtended strand (participates in β ladder)trans-90.3116.6179.8-57.3-60.8000109L23 I49 I75 L128 P131L23-I57 HydrophobicContact CD1-CD1 3.99Å; I49-I57 HydrophobicContact CG2-CG2 3.39Å; I57-I75 PolarHBondContact O-N 3.48Å; I57-L128 HydrophobicContact CG2-CD2 4.13Å; I57-P131 HydrophobicContact CD1-CB 4.05Å; I57-P131 HydrophobicContact CG1-CB 3.99Å
58H89.8Confident87.5Confident22 Ų2248.7 Ų48.710%0.10227%0.272CS..EExtended strand (participates in β ladder)trans-94.8117.8171.9-75.1-119.4000109.5I49 Q50 T52 D72I49-H58 CarbonylContact C-O 3.6Å; I49-H58 VanDerWaalsContact CA-O 3.29Å; I49-H58 WeakPolarHBondContact CA-O 3.39Å; Q50-H58 PolarHBondContact N-O 2.91Å; Q50-H58 WeakPolarHBondContact O-CB 3.34Å; Q50-H58 PolarHBondContact O-N 3.37Å; T52-H58 WeakPolarHBondContact CG2-CD2 3.26Å; T52-H58 WeakPolarHBondContact CG2-NE2 3.26Å; T52-H58 PolarHBondContact OG1-CD2 2.94Å; T52-H58 PolarHBondContact OG1-NE2 3.45Å; H58-D72 IonicContact CE1-OD1 2.84Å; H58-D72 IonicContact CG-OD1 2.69Å; H58-D72 IonicContact ND1-OD1 3.7Å; H58-D72 PolarHBondContact ND1-OD1 3.28Å; H58-D72 IonicContact ND1-OD2 3.97Å
59F92.1Very high87.3Confident3 Ų351.4 Ų51.41%0.01329%0.29CS..EExtended strand (participates in β ladder)trans-94.6111.1169.5-174.4-80.4000108.8V47 I49 L73 I75 L96 F107 V124V47-F59 HydrophobicContact CG1-CE1 4.04Å; V47-F59 HydrophobicContact CG1-CE2 3.7Å; V47-F59 HydrophobicContact CG1-CZ 3.41Å; V47-F59 VanDerWaalsContact CG1-CZ 3.41Å; V47-F59 HydrophobicContact CG2-CZ 4.45Å; I49-F59 HydrophobicContact CD1-CD2 4.14Å; I49-F59 HydrophobicContact CG1-CD2 3.97Å; F59-L73 PolarHBondContact N-O 3.32Å; F59-L73 PolarHBondContact O-N 3.39Å; F59-I75 HydrophobicContact CB-CD1 4.33Å; F59-I75 HydrophobicContact CB-CG1 3.75Å; F59-L96 HydrophobicContact CD1-CD2 4.06Å; F59-L96 HydrophobicContact CD2-CD2 4.23Å; F59-L96 HydrophobicContact CE1-CD2 4.06Å; F59-L96 HydrophobicContact CE2-CD2 4.2Å; F59-L96 HydrophobicContact CG-CD2 4.15Å; F59-L96 HydrophobicContact CZ-CD2 4.11Å; F59-F107 HydrophobicContact CE1-CE1 4.18Å; F59-F107 AromaticContact CE1-CE2 3.95Å; F59-F107 HydrophobicContact CE1-CE2 3.95Å; F59-F107 AromaticContact CE1-CZ 3.55Å; F59-F107 HydrophobicContact CE1-CZ 3.55Å; F59-F107 AromaticContact CZ-CE2 3.98Å; F59-F107 HydrophobicContact CZ-CE2 3.98Å; F59-F107 AromaticContact CZ-CZ 3.97Å; F59-F107 HydrophobicContact CZ-CZ 3.97Å; F59-V124 HydrophobicContact CE2-CG1 4.42Å
60C91.9Very high87.2Confident2 Ų255.6 Ų55.61%0.01431%0.309CS..EExtended strand (participates in β ladder)trans-118.9143.4-174.6-54.70000112.2V47 Y48 V69 D71 D72V47-C60 WeakPolarHBondContact CA-O 3.45Å; Y48-C60 HydrophobicContact CD1-CB 4.11Å; Y48-C60 HydrophobicContact CD2-CB 4.04Å; Y48-C60 HydrophobicContact CE1-CB 3.55Å; Y48-C60 HydrophobicContact CE2-CB 3.53Å; Y48-C60 HydrophobicContact CG-CB 4.33Å; Y48-C60 PolarHBondContact N-O 3.22Å; Y48-C60 PolarHBondContact O-N 3.45Å; C60-V69 HydrophobicContact CB-CG1 4.29Å; C60-D71 CarbonylContact C-O 3.55Å; C60-D71 WeakPolarHBondContact CA-O 3.25Å; C60-D72 PolarHBondContact SG-OD1 3.02Å; C60-D72 VanDerWaalsContact SG-OD1 3.37Å
61W94.4Very high87.1Confident2 Ų255.6 Ų55.61%0.00831%0.311CS..EExtended strand (participates in β ladder)trans-119127.6167.4-174.391.9000109.8A28 K30 D63 E70 D71A28-W61 PolarHBondContact O-NE1 3.45Å; K30-W61 HydrophobicContact CD-CD2 3.9Å; K30-W61 HydrophobicContact CD-CE3 3.85Å; K30-W61 HydrophobicContact CD-CG 4.46Å; K30-W61 HydrophobicContact CD-CH2 4.33Å; K30-W61 HydrophobicContact CD-CZ2 4.39Å; K30-W61 HydrophobicContact CD-CZ3 4.08Å; K30-W61 VanDerWaalsContact CE-CZ3 3.46Å; K30-W61 HydrophobicContact CG-CD2 4.2Å; K30-W61 HydrophobicContact CG-CE3 4.48Å; K30-W61 HydrophobicContact CG-CH2 4.32Å; K30-W61 HydrophobicContact CG-CZ2 4.03Å; W61-D63 HydrophobicContact CH2-CB 4.09Å; W61-D63 HydrophobicContact CZ3-CB 4.14Å; W61-E70 HydrophobicContact CE3-CB 3.96Å; W61-E70 HydrophobicContact CE3-CG 4.43Å; W61-E70 HydrophobicContact CZ3-CB 3.96Å; W61-E70 HydrophobicContact CZ3-CG 3.96Å; W61-E70 WeakPolarHBondContact CZ3-OE2 3.11Å; W61-E70 PolarHBondContact O-N 2.94Å; W61-D71 HydrophobicContact CB-CB 4.14Å; W61-D71 PolarHBondContact N-O 3.39Å; W61-D71 PolarHBondContact O-N 3.39Å
62K92.7Very high87.3Confident41 Ų4157 Ų5718%0.17832%0.321CS..EExtended strand (participates in β ladder)trans-120143174.766.4-179.3175.3-162.70112G45 L46 Y48 R64 N68 V69G45-K62 CarbonylContact C-O 3.57Å; G45-K62 WeakPolarHBondContact CA-O 3.47Å; L46-K62 HydrophobicContact CB-CG 3.9Å; L46-K62 PolarHBondContact N-O 2.8Å; L46-K62 PolarHBondContact O-N 3.31Å; Y48-K62 HydrophobicContact CD1-CD 4.14Å; Y48-K62 HydrophobicContact CD1-CG 4.17Å; Y48-K62 HydrophobicContact CE1-CB 4.07Å; Y48-K62 HydrophobicContact CE1-CD 3.7Å; Y48-K62 HydrophobicContact CE1-CG 3.8Å; K62-R64 PolarHBondContact O-N 2.91Å; K62-N68 CarbonylContact C-O 3.48Å; K62-N68 VanDerWaalsContact CA-O 3.32Å; K62-N68 WeakPolarHBondContact CA-O 3Å; K62-N68 WeakPolarHBondContact CB-O 3.42Å; K62-V69 HydrophobicContact CB-CG2 4.16Å
63D93.8Very high87.7Confident1 Ų157 Ų571%0.00532%0.319CS..EExtended strand (participates in β ladder)trans-75.1124168.4-175.12000108.8R43 W61 T65 G67 N68R43-D63 IonicContact NH1-OD2 3.2Å; W61-D63 HydrophobicContact CH2-CB 4.09Å; W61-D63 HydrophobicContact CZ3-CB 4.14Å; D63-T65 VanDerWaalsContact C-N 3.27Å; D63-T65 WeakPolarHBondContact OD1-CB 3.32Å; D63-T65 PolarHBondContact OD1-N 2.84Å; D63-T65 PolarHBondContact OD1-OG1 3.49Å; D63-G67 CarbonylContact O-C 3.58Å; D63-G67 WeakPolarHBondContact O-CA 3.37Å; D63-G67 PolarHBondContact O-N 3.03Å; D63-N68 PolarHBondContact N-O 2.77Å
64R89Confident88.2Confident109 Ų10953.4 Ų53.441%0.41130%0.298SS..THydrogen-bonded Turntrans-76.5-18.5176.2-62.1175.458.9-157.4-1.7112.4K44 G45 L46 K62K44-R64 HydrophobicContact CB-CB 4.18Å; K44-R64 VanDerWaalsContact O-CB 3.23Å; K44-R64 WeakPolarHBondContact O-CB 3.39Å; K44-R64 WeakPolarHBondContact O-CG 3.48Å; K44-R64 PolarHBondContact O-N 3.34Å; G45-R64 VanDerWaalsContact O-CD 3.31Å; G45-R64 WeakPolarHBondContact O-CD 3.43Å; L46-R64 HydrophobicContact CB-CG 3.94Å; K62-R64 PolarHBondContact O-N 2.91Å
65T86.8Confident88.7Confident103 Ų10348.5 Ų48.563%0.63227%0.272SS*.THydrogen-bonded Turntrans-74.2-50.5-180-36.40000110D63D63-T65 VanDerWaalsContact C-N 3.27Å; D63-T65 WeakPolarHBondContact OD1-CB 3.32Å; D63-T65 PolarHBondContact OD1-N 2.84Å; D63-T65 PolarHBondContact OD1-OG1 3.49Å
66S85.7Confident89.1Confident79 Ų7952 Ų5255%0.55228%0.283SS*.THydrogen-bonded Turntrans-94.8-19.3178.7-58.90000114.1N68S66-N68 WeakPolarHBondContact CB-ND2 3.46Å; S66-N68 PolarHBondContact O-N 2.9Å
67G85.3Confident89.1Confident53 Ų5352.4 Ų52.455%0.54629%0.287SS..  trans78.51.4-175.300000114.6D63D63-G67 CarbonylContact O-C 3.58Å; D63-G67 WeakPolarHBondContact O-CA 3.37Å; D63-G67 PolarHBondContact O-N 3.03Å
68N89.4Confident88.8Confident104 Ų10456.8 Ų56.856%0.55631%0.31SS*.  trans-81.3138.8-179.2-67.8-53.2000111.2K62 D63 S66K62-N68 CarbonylContact C-O 3.48Å; K62-N68 VanDerWaalsContact CA-O 3.32Å; K62-N68 WeakPolarHBondContact CA-O 3Å; K62-N68 WeakPolarHBondContact CB-O 3.42Å; D63-N68 PolarHBondContact N-O 2.77Å; S66-N68 WeakPolarHBondContact CB-ND2 3.46Å; S66-N68 PolarHBondContact O-N 2.9Å
69V90.2Very high88.6Confident70 Ų7057 Ų5742%0.42431%0.312SS..EExtended strand (participates in β ladder)trans-80.4115.3168.7-173.70000106.9Y48 C60 K62 D72Y48-V69 VanDerWaalsContact OH-CG2 3.27Å; Y48-V69 WeakPolarHBondContact OH-CG2 3.46Å; C60-V69 HydrophobicContact CB-CG1 4.29Å; K62-V69 HydrophobicContact CB-CG2 4.16Å; V69-D72 HydrophobicContact CG1-CB 4.46Å
70E88.3Confident88.4Confident88 Ų8856.9 Ų56.941%0.41131%0.312SS..EExtended strand (participates in β ladder)trans-95.7-33.3179.9-68.2-167.4178.800112.1K30 R43 W61K30-E70 WeakPolarHBondContact CE-OE2 3.21Å; K30-E70 IonicContact NZ-OE2 2.67Å; K30-E70 PolarHBondContact NZ-OE2 2.85Å; R43-E70 IonicContact NH1-OE1 3.88Å; R43-E70 PolarHBondContact NH1-OE1 3.49Å; W61-E70 HydrophobicContact CE3-CB 3.96Å; W61-E70 HydrophobicContact CE3-CG 4.43Å; W61-E70 HydrophobicContact CZ3-CB 3.96Å; W61-E70 HydrophobicContact CZ3-CG 3.96Å; W61-E70 WeakPolarHBondContact CZ3-OE2 3.11Å; W61-E70 PolarHBondContact O-N 2.94Å
71D88.1Confident88.2Confident49 Ų4959.2 Ų59.226%0.26232%0.322SS..EExtended strand (participates in β ladder)trans-124.6129.1178.3-61.4-92.5000109.5K30 C60 W61K30-D71 WeakPolarHBondContact CD-OD2 3.37Å; K30-D71 IonicContact NZ-OD2 3.65Å; K30-D71 PolarHBondContact NZ-OD2 3.39Å; C60-D71 CarbonylContact C-O 3.55Å; C60-D71 WeakPolarHBondContact CA-O 3.25Å; W61-D71 HydrophobicContact CB-CB 4.14Å; W61-D71 PolarHBondContact N-O 3.39Å; W61-D71 PolarHBondContact O-N 3.39Å
72D91.1Very high88.1Confident92 Ų9259.3 Ų59.349%0.49232%0.323SS..EExtended strand (participates in β ladder)trans-135.9108.9172.8-175.8-8.1000107.4H58 C60 V69H58-D72 IonicContact CE1-OD1 2.84Å; H58-D72 IonicContact CG-OD1 2.69Å; H58-D72 IonicContact ND1-OD1 3.7Å; H58-D72 PolarHBondContact ND1-OD1 3.28Å; H58-D72 IonicContact ND1-OD2 3.97Å; C60-D72 PolarHBondContact SG-OD1 3.02Å; C60-D72 VanDerWaalsContact SG-OD1 3.37Å; V69-D72 HydrophobicContact CG1-CB 4.46Å
73L88.4Confident87.9Confident38 Ų3862.3 Ų62.320%0.19934%0.336CS..EExtended strand (participates in β ladder)trans-121.1121.6-173.8-64.8166.5000109.4F59 I75 F98 L105F59-L73 PolarHBondContact N-O 3.32Å; F59-L73 PolarHBondContact O-N 3.39Å; L73-I75 HydrophobicContact CB-CD1 3.94Å; L73-F98 HydrophobicContact CD1-CZ 4.08Å; L73-L105 HydrophobicContact CD1-CD1 3.38Å
74I88.9Confident87.7Confident88 Ų8868.1 Ų68.145%0.45136%0.358SS..EExtended strand (participates in β ladder)trans-79.6121.5173.3-56-179.4000108.1L56L56-I74 HydrophobicContact CB-CG2 3.84Å; L56-I74 HydrophobicContact CD2-CG2 3.44Å; L56-I74 VanDerWaalsContact CD2-CG2 3.44Å; L56-I74 HydrophobicContact CG-CG2 4.22Å
75I87.4Confident87.7Confident1 Ų164.2 Ų64.21%0.00535%0.346CS..EExtended strand (participates in β ladder)trans-112.1125.3-178-47.1-56.6000109.5I57 F59 L73 D79 C80 F98 L128I57-I75 PolarHBondContact O-N 3.48Å; F59-I75 HydrophobicContact CB-CD1 4.33Å; F59-I75 HydrophobicContact CB-CG1 3.75Å; L73-I75 HydrophobicContact CB-CD1 3.94Å; I75-D79 HydrophobicContact CG2-CB 4.4Å; I75-C80 HydrophobicContact CG2-CB 3.7Å; I75-C80 VanDerWaalsContact CG2-SG 3.56Å; I75-F98 HydrophobicContact CD1-CE1 3.57Å; I75-F98 HydrophobicContact CD1-CZ 3.75Å; I75-L128 HydrophobicContact CB-CD2 3.94Å; I75-L128 HydrophobicContact CG1-CD2 4.04Å; I75-L128 HydrophobicContact CG2-CD2 3.79Å
76F84.5Confident87.4Confident116 Ų11664.7 Ų64.751%0.50935%0.351SS..  trans-79.6154.7172-68-83.5000111L56 D78 D79L56-F76 HydrophobicContact CD2-CD1 3.82Å; L56-F76 HydrophobicContact CD2-CE1 3.39Å; L56-F76 HydrophobicContact CD2-CZ 3.84Å; F76-D78 PolarHBondContact O-N 3.13Å; F76-D79 HydrophobicContact CB-CB 3.96Å; F76-D79 WeakPolarHBondContact O-CB 3.33Å; F76-D79 PolarHBondContact O-N 3.17Å
77P85.1Confident87Confident36 Ų3669 Ų6923%0.23436%0.362CS..THydrogen-bonded Turntrans-56.1139.1175.3-2638.6000111.2D79 L128 P131 L137P77-D79 PolarHBondContact O-N 3.3Å; P77-L128 WeakPolarHBondContact CA-O 3.25Å; P77-P131 HydrophobicContact CB-CG 4.27Å; P77-P131 HydrophobicContact CG-CG 3.6Å; P77-L137 HydrophobicContact CG-CD2 4.26Å
78D82.7Confident86.5Confident95 Ų9568.2 Ų68.251%0.50835%0.348SS..THydrogen-bonded Turntrans62.30.6-175.5-67.1-62.5000115.9F76 K99 L128 N129F76-D78 PolarHBondContact O-N 3.13Å; D78-K99 WeakPolarHBondContact O-CD 3.38Å; D78-K99 WeakPolarHBondContact O-CE 3.47Å; D78-K99 PolarHBondContact O-NZ 3.32Å; D78-L128 PolarHBondContact N-O 2.87Å; D78-N129 WeakPolarHBondContact CA-OD1 3.47Å; D78-N129 PolarHBondContact OD1-OD1 3.25Å
79D85.9Confident85.8Confident27 Ų2770 Ų7014%0.14437%0.366CS..THydrogen-bonded Turntrans-80.4-28.5-174.9-168.927.5000112.9I75 F76 P77 F98 K99 A100I75-D79 HydrophobicContact CG2-CB 4.4Å; F76-D79 HydrophobicContact CB-CB 3.96Å; F76-D79 WeakPolarHBondContact O-CB 3.33Å; F76-D79 PolarHBondContact O-N 3.17Å; P77-D79 PolarHBondContact O-N 3.3Å; D79-F98 CarbonylContact O-C 3.5Å; D79-K99 WeakPolarHBondContact O-CB 3.36Å; D79-K99 WeakPolarHBondContact O-CG 3Å; D79-K99 PolarHBondContact O-N 3.48Å; D79-A100 WeakPolarHBondContact OD1-CA 3.18Å; D79-A100 WeakPolarHBondContact OD1-CB 3.01Å; D79-A100 PolarHBondContact OD1-N 2.93Å
80C86.9Confident85.1Confident0 Ų070.1 Ų70.10%037%0.369CS..EExtended strand (participates in β ladder)trans-122.4146.6177.7-69.40000112.7I75 L96 K97 F98 L128I75-C80 HydrophobicContact CG2-CB 3.7Å; I75-C80 VanDerWaalsContact CG2-SG 3.56Å; C80-L96 HydrophobicContact CB-CD1 3.8Å; C80-L96 HydrophobicContact CB-CG 4.25Å; C80-K97 CarbonylContact C-O 3.41Å; C80-K97 WeakPolarHBondContact CA-O 3.34Å; C80-F98 WeakPolarHBondContact SG-CD1 3.3Å; C80-F98 WeakPolarHBondContact SG-CE1 3.39Å; C80-L128 HydrophobicContact CB-CD1 4.12Å
81E88.4Confident84.7Confident51 Ų5167 Ų6724%0.23836%0.361CS..EExtended strand (participates in β ladder)trans-123.2125.6173-164.8-178.3-159.600109.7K83 K97E81-K83 HydrophobicContact CG-CD 4.29Å; E81-K83 HydrophobicContact CG-CG 4.16Å; E81-K83 WeakPolarHBondContact OE1-CE 3.31Å; E81-K83 IonicContact OE1-NZ 3.91Å; E81-K83 PolarHBondContact OE1-NZ 2.93Å; E81-K83 WeakPolarHBondContact OE2-CE 3.31Å; E81-K83 IonicContact OE2-NZ 3.36Å; E81-K83 PolarHBondContact OE2-NZ 3.45Å; E81-K97 PolarHBondContact N-O 3.38Å; E81-K97 PolarHBondContact O-N 3.33Å
82F90.7Very high84.7Confident5 Ų568.5 Ų68.52%0.02236%0.362CS..EExtended strand (participates in β ladder)trans-101115.8178.8-168.1-111.1000109.9F26 Y94 L96 F107 M109 C121 V124 N125 L128F26-F82 HydrophobicContact CZ-CZ 4.35Å; F82-Y94 HydrophobicContact CD1-CD1 4.12Å; F82-Y94 AromaticContact CE1-CD1 3.49Å; F82-Y94 HydrophobicContact CE1-CD1 3.49Å; F82-Y94 VanDerWaalsContact CE1-CD1 3.49Å; F82-Y94 HydrophobicContact CE1-CE1 4.29Å; F82-Y94 AromaticContact CE1-CG 3.86Å; F82-Y94 HydrophobicContact CE1-CG 3.86Å; F82-Y94 AromaticContact CZ-CD1 3.88Å; F82-Y94 HydrophobicContact CZ-CD1 3.88Å; F82-Y94 AromaticContact CZ-CG 3.76Å; F82-Y94 HydrophobicContact CZ-CG 3.76Å; F82-L96 HydrophobicContact CB-CD1 4.02Å; F82-L96 HydrophobicContact CD2-CB 3.99Å; F82-L96 HydrophobicContact CD2-CD1 3.9Å; F82-L96 HydrophobicContact CG-CD1 4.43Å; F82-F107 HydrophobicContact CE2-CD2 4.13Å; F82-M109 HydrophobicContact CE1-CE 4.15Å; F82-M109 HydrophobicContact CZ-CE 4.25Å; F82-C121 HydrophobicContact CD1-CB 4.2Å; F82-C121 HydrophobicContact CE1-CB 4.31Å; F82-V124 HydrophobicContact CB-CG1 3.67Å; F82-V124 HydrophobicContact CD1-CB 4.06Å; F82-V124 HydrophobicContact CD1-CG1 3.85Å; F82-V124 HydrophobicContact CD2-CG1 4.33Å; F82-V124 HydrophobicContact CG-CB 4.41Å; F82-V124 HydrophobicContact CG-CG1 3.7Å; F82-N125 PolarHBondContact N-OD1 3.39Å; F82-L128 HydrophobicContact CB-CD1 4.38Å
83K89.9Confident84.6Confident103 Ų10364.9 Ų64.945%0.44834%0.344SS..EExtended strand (participates in β ladder)trans-129.8146.4-174.8-77.7-179.4162.6152.30112.2E81 Y94 V95E81-K83 HydrophobicContact CG-CD 4.29Å; E81-K83 HydrophobicContact CG-CG 4.16Å; E81-K83 WeakPolarHBondContact OE1-CE 3.31Å; E81-K83 IonicContact OE1-NZ 3.91Å; E81-K83 PolarHBondContact OE1-NZ 2.93Å; E81-K83 WeakPolarHBondContact OE2-CE 3.31Å; E81-K83 IonicContact OE2-NZ 3.36Å; E81-K83 PolarHBondContact OE2-NZ 3.45Å; K83-Y94 CarbonylContact O-C 3.5Å; K83-Y94 WeakPolarHBondContact O-CA 3.48Å; K83-V95 HydrophobicContact CB-CG1 4.37Å; K83-V95 PolarHBondContact N-O 3.28Å; K83-V95 PolarHBondContact O-N 3.02Å
84R90.1Very high84.7Confident124 Ų12463.2 Ų63.247%0.46834%0.335SS..EExtended strand (participates in β ladder)trans-70.1139.4167.9-170.717669.9-170.20110.1P86 G91 Y94 E118R84-P86 WeakPolarHBondContact O-CD 3.4Å; R84-G91 VanDerWaalsContact CD-O 3.29Å; R84-G91 WeakPolarHBondContact CD-O 3.49Å; R84-Y94 HydrophobicContact CB-CD1 4.02Å; R84-Y94 HydrophobicContact CB-CE1 3.64Å; R84-Y94 HydrophobicContact CG-CE1 4.09Å; R84-Y94 HydrophobicContact CG-CE2 4.36Å; R84-E118 IonicContact NH1-OE1 2.67Å; R84-E118 PolarHBondContact NH1-OE1 2.63Å
85V87.5Confident84.8Confident26 Ų2660.1 Ų60.116%0.15832%0.32CS..  trans-84.3111.8174.8-179.60000109.1Q87 C88 V93 V95 F106V85-Q87 HydrophobicContact CG1-CB 4.22Å; V85-Q87 PolarHBondContact O-N 3.03Å; V85-C88 PolarHBondContact O-N 3.33Å; V85-V93 HydrophobicContact CB-CB 4.4Å; V85-V93 HydrophobicContact CB-CG1 4.28Å; V85-V93 HydrophobicContact CG2-CG1 4.03Å; V85-V93 PolarHBondContact N-O 3.28Å; V85-V95 HydrophobicContact CG2-CB 4.02Å; V85-V95 HydrophobicContact CG2-CG1 3.93Å; V85-F106 HydrophobicContact CG2-CD1 4.44Å; V85-F106 HydrophobicContact CG2-CE1 4.49Å
86P81.6Confident85Confident114 Ų11460.1 Ų60.174%0.7432%0.32SS*.THydrogen-bonded Turntrans-71.6-19.9-174.829.2-35.4000113.3R84 C88R84-P86 WeakPolarHBondContact O-CD 3.4Å; P86-C88 PolarHBondContact O-N 3.42Å
87Q77.8Confident85.2Confident168 Ų16858.4 Ų58.479%0.78531%0.312SS*.THydrogen-bonded Turntrans-74.3-12.3-179.5-64.6-66.80.300113.4V85V85-Q87 HydrophobicContact CG1-CB 4.22Å; V85-Q87 PolarHBondContact O-N 3.03Å
88C73.3Confident85.3Confident37 Ų3757.7 Ų57.725%0.2531%0.306CS..  trans-88.6121.3-177.7-70.10000111.1V85 P86 S90 G91 V93V85-C88 PolarHBondContact O-N 3.33Å; P86-C88 PolarHBondContact O-N 3.42Å; C88-S90 PolarHBondContact O-N 3.35Å; C88-G91 PolarHBondContact O-N 3.23Å; C88-V93 HydrophobicContact CB-CB 3.97Å; C88-V93 HydrophobicContact CB-CG2 3.98Å; C88-V93 VanDerWaalsContact SG-CB 3.52Å; C88-V93 VanDerWaalsContact SG-CG2 3.6Å
89P75.1Confident85.4Confident143 Ų14358.6 Ų58.693%0.92931%0.305SS*.THydrogen-bonded Turntrans-66-23.3-176.524.2-32.9000113.3G91P89-G91 VanDerWaalsContact C-N 3.35Å
90S75.9Confident84.9Confident72 Ų7260.6 Ų60.650%0.50333%0.325SS..THydrogen-bonded Turntrans-78.1-18.3174.663.70000113.5C88 R92C88-S90 PolarHBondContact O-N 3.35Å; S90-R92 WeakPolarHBondContact O-CG 3.49Å; S90-R92 PolarHBondContact O-N 3.49Å; S90-R92 PolarHBondContact OG-N 3.37Å
91G80.3Confident84.1Confident22 Ų2263 Ų6323%0.22735%0.35CS..SBendtrans65.30.4-17300000115.1R84 C88 P89R84-G91 VanDerWaalsContact CD-O 3.29Å; R84-G91 WeakPolarHBondContact CD-O 3.49Å; C88-G91 PolarHBondContact O-N 3.23Å; P89-G91 VanDerWaalsContact C-N 3.35Å
92R86.5Confident83.4Confident80 Ų8062.1 Ų62.130%0.30235%0.349SS..  trans-92.94.8-173-68.1179.8-172.5-140.62.9113.7S90 W108 M109 E111 T114S90-R92 WeakPolarHBondContact O-CG 3.49Å; S90-R92 PolarHBondContact O-N 3.49Å; S90-R92 PolarHBondContact OG-N 3.37Å; R92-W108 CarbonylContact O-C 3.47Å; R92-W108 VanDerWaalsContact O-CA 3.28Å; R92-W108 WeakPolarHBondContact O-CA 3.37Å; R92-M109 HydrophobicContact CB-CB 4.22Å; R92-M109 PolarHBondContact O-N 3.38Å; R92-E111 PolarHBondContact NH1-O 3.2Å; R92-T114 HydrophobicContact CG-CG2 4.41Å; R92-T114 VanDerWaalsContact NH2-CG2 3.28Å
93V90.2Very high83Confident17 Ų1766.9 Ų66.910%0.10337%0.37CS..EExtended strand (participates in β ladder)trans-101.6131.1179.3-177.30000109.4M31 V85 C88 F107 W108M31-V93 HydrophobicContact CE-CG1 3.83Å; M31-V93 HydrophobicContact CE-CG2 3.92Å; V85-V93 HydrophobicContact CB-CB 4.4Å; V85-V93 HydrophobicContact CB-CG1 4.28Å; V85-V93 HydrophobicContact CG2-CG1 4.03Å; V85-V93 PolarHBondContact N-O 3.28Å; C88-V93 HydrophobicContact CB-CB 3.97Å; C88-V93 HydrophobicContact CB-CG2 3.98Å; C88-V93 VanDerWaalsContact SG-CB 3.52Å; C88-V93 VanDerWaalsContact SG-CG2 3.6Å; V93-F107 CarbonylContact C-O 3.54Å; V93-F107 WeakPolarHBondContact CA-O 3.27Å; V93-W108 HydrophobicContact CG2-CB 4.31Å
94Y91.1Very high82.8Confident3 Ų365.7 Ų65.71%0.01236%0.363CS..EExtended strand (participates in β ladder)trans-125.7154.4-178.1-71.8-100.8000109.8F82 K83 R84 F106 F107 M109 D117 C121F82-Y94 HydrophobicContact CD1-CD1 4.12Å; F82-Y94 AromaticContact CE1-CD1 3.49Å; F82-Y94 HydrophobicContact CE1-CD1 3.49Å; F82-Y94 VanDerWaalsContact CE1-CD1 3.49Å; F82-Y94 HydrophobicContact CE1-CE1 4.29Å; F82-Y94 AromaticContact CE1-CG 3.86Å; F82-Y94 HydrophobicContact CE1-CG 3.86Å; F82-Y94 AromaticContact CZ-CD1 3.88Å; F82-Y94 HydrophobicContact CZ-CD1 3.88Å; F82-Y94 AromaticContact CZ-CG 3.76Å; F82-Y94 HydrophobicContact CZ-CG 3.76Å; K83-Y94 CarbonylContact O-C 3.5Å; K83-Y94 WeakPolarHBondContact O-CA 3.48Å; R84-Y94 HydrophobicContact CB-CD1 4.02Å; R84-Y94 HydrophobicContact CB-CE1 3.64Å; R84-Y94 HydrophobicContact CG-CE1 4.09Å; R84-Y94 HydrophobicContact CG-CE2 4.36Å; Y94-F106 WeakPolarHBondContact O-CA 3.35Å; Y94-F107 PolarHBondContact N-O 3.45Å; Y94-F107 PolarHBondContact O-N 3.24Å; Y94-F107 VanDerWaalsContact O-O 3.05Å; Y94-M109 HydrophobicContact CD1-CE 4.32Å; Y94-M109 HydrophobicContact CD2-CE 3.63Å; Y94-M109 HydrophobicContact CD2-CG 3.68Å; Y94-M109 HydrophobicContact CD2-SD 4.38Å; Y94-M109 HydrophobicContact CE1-CE 4.36Å; Y94-M109 HydrophobicContact CE2-CE 3.69Å; Y94-M109 HydrophobicContact CE2-CG 3.54Å; Y94-M109 HydrophobicContact CE2-SD 4.48Å; Y94-M109 HydrophobicContact CG-CE 3.98Å; Y94-D117 HydrophobicContact CE2-CB 4.46Å; Y94-D117 WeakPolarHBondContact OH-CB 3.28Å; Y94-C121 HydrophobicContact CD1-CB 4.3Å; Y94-C121 HydrophobicContact CE1-CB 3.66Å
95V90.9Very high82.7Confident23 Ų2361.2 Ų61.214%0.13935%0.348CS..EExtended strand (participates in β ladder)trans-128129.2177.461.30000109.4K83 V85 R104 L105 F106K83-V95 HydrophobicContact CB-CG1 4.37Å; K83-V95 PolarHBondContact N-O 3.28Å; K83-V95 PolarHBondContact O-N 3.02Å; V85-V95 HydrophobicContact CG2-CB 4.02Å; V85-V95 HydrophobicContact CG2-CG1 3.93Å; V95-R104 HydrophobicContact CG2-CB 4.07Å; V95-L105 CarbonylContact C-O 3.48Å; V95-L105 WeakPolarHBondContact CA-O 3.42Å; V95-F106 HydrophobicContact CB-CD1 3.98Å; V95-F106 HydrophobicContact CB-CE1 4.09Å; V95-F106 HydrophobicContact CG2-CD1 4Å; V95-F106 HydrophobicContact CG2-CE1 3.88Å; V95-F106 HydrophobicContact CG2-CZ 4.36Å
96L90.8Very high82.9Confident0 Ų062.7 Ų62.70%035%0.352CS..EExtended strand (participates in β ladder)trans-92.1108.4165.5-171.568.8000107.5F59 C80 F82 F98 L105 F107 L128F59-L96 HydrophobicContact CD1-CD2 4.06Å; F59-L96 HydrophobicContact CD2-CD2 4.23Å; F59-L96 HydrophobicContact CE1-CD2 4.06Å; F59-L96 HydrophobicContact CE2-CD2 4.2Å; F59-L96 HydrophobicContact CG-CD2 4.15Å; F59-L96 HydrophobicContact CZ-CD2 4.11Å; C80-L96 HydrophobicContact CB-CD1 3.8Å; C80-L96 HydrophobicContact CB-CG 4.25Å; F82-L96 HydrophobicContact CB-CD1 4.02Å; F82-L96 HydrophobicContact CD2-CB 3.99Å; F82-L96 HydrophobicContact CD2-CD1 3.9Å; F82-L96 HydrophobicContact CG-CD1 4.43Å; L96-F98 HydrophobicContact CD2-CE2 4.01Å; L96-F98 HydrophobicContact CD2-CZ 4.16Å; L96-F98 HydrophobicContact CG-CE2 4.23Å; L96-L105 HydrophobicContact CB-CB 4.34Å; L96-L105 PolarHBondContact N-O 3.44Å; L96-L105 PolarHBondContact O-N 3.5Å; L96-F107 HydrophobicContact CB-CD2 4.35Å; L96-F107 HydrophobicContact CB-CE2 3.89Å; L96-F107 HydrophobicContact CD2-CE2 4.48Å; L96-L128 HydrophobicContact CD1-CD1 3.66Å
97K88.9Confident83.3Confident80 Ų8057.7 Ų57.735%0.34832%0.319SS..EExtended strand (participates in β ladder)trans-97.9120.3179.6-178.5-176.8175.7-172.60108.9C80 E81C80-K97 CarbonylContact C-O 3.41Å; C80-K97 WeakPolarHBondContact CA-O 3.34Å; E81-K97 PolarHBondContact N-O 3.38Å; E81-K97 PolarHBondContact O-N 3.33Å
98F87.5Confident84Confident22 Ų2253.1 Ų53.110%0.09630%0.295CS..EExtended strand (participates in β ladder)trans-76.7138.1169.6-69.4-104.6000108.8L73 I75 D79 C80 L96 G101 K103 L105L73-F98 HydrophobicContact CD1-CZ 4.08Å; I75-F98 HydrophobicContact CD1-CE1 3.57Å; I75-F98 HydrophobicContact CD1-CZ 3.75Å; D79-F98 CarbonylContact O-C 3.5Å; C80-F98 WeakPolarHBondContact SG-CD1 3.3Å; C80-F98 WeakPolarHBondContact SG-CE1 3.39Å; L96-F98 HydrophobicContact CD2-CE2 4.01Å; L96-F98 HydrophobicContact CD2-CZ 4.16Å; L96-F98 HydrophobicContact CG-CE2 4.23Å; F98-G101 CarbonylContact C-O 3.6Å; F98-K103 HydrophobicContact CB-CB 4.35Å; F98-K103 HydrophobicContact CD2-CB 4.07Å; F98-K103 HydrophobicContact CD2-CG 4.2Å; F98-K103 WeakPolarHBondContact CD2-O 3.26Å; F98-K103 HydrophobicContact CG-CB 4.29Å; F98-K103 PolarHBondContact N-O 2.76Å; F98-K103 VanDerWaalsContact N-O 3.12Å; F98-L105 HydrophobicContact CE2-CD1 3.85Å; F98-L105 HydrophobicContact CE2-CG 4.18Å; F98-L105 HydrophobicContact CZ-CD1 4.31Å
99K84.8Confident84.9Confident113 Ų11351.5 Ų51.549%0.49128%0.284SS..SBendtrans-90.5-44.4173.1-62-167.6-158.7151.70109.2D78 D79 G101D78-K99 WeakPolarHBondContact O-CD 3.38Å; D78-K99 WeakPolarHBondContact O-CE 3.47Å; D78-K99 PolarHBondContact O-NZ 3.32Å; D79-K99 WeakPolarHBondContact O-CB 3.36Å; D79-K99 WeakPolarHBondContact O-CG 3Å; D79-K99 PolarHBondContact O-N 3.48Å; K99-G101 PolarHBondContact O-N 3.03Å; K99-G101 VanDerWaalsContact O-N 3.15Å
100A74.4Confident85.7Confident69 Ų6946.4 Ų46.457%0.5725%0.247SC*.SBendtrans-76.496.5165.500000109.3D79D79-A100 WeakPolarHBondContact OD1-CA 3.18Å; D79-A100 WeakPolarHBondContact OD1-CB 3.01Å; D79-A100 PolarHBondContact OD1-N 2.93Å
101G70.1Confident86.4Confident50 Ų5044.5 Ų44.552%0.51523%0.23SC..SBendtrans91.7154-175.400000112.2F98 K99 K103F98-G101 CarbonylContact C-O 3.6Å; K99-G101 PolarHBondContact O-N 3.03Å; K99-G101 VanDerWaalsContact O-N 3.15Å; G101-K103 PolarHBondContact O-N 3.13Å
102S74.2Confident86.7Confident33 Ų3348 Ų4823%0.23125%0.249CC..SBendtrans-91.616.4-171390000112.7L271S102-L271 VanDerWaalsContact CB-CD1 3.5Å; S102-L271 WeakPolarHBondContact O-CD1 3.19Å; S102-L271 WeakPolarHBondContact OG-CD2 3.36Å; S102-L271 WeakPolarHBondContact OG-CG 3.36Å
103K81.8Confident86.8Confident106 Ų10650.9 Ų50.946%0.46126%0.264SS..  trans-63.8135.2177.8-173.6171179.3169.90110.8F98 G101F98-K103 HydrophobicContact CB-CB 4.35Å; F98-K103 HydrophobicContact CD2-CB 4.07Å; F98-K103 HydrophobicContact CD2-CG 4.2Å; F98-K103 WeakPolarHBondContact CD2-O 3.26Å; F98-K103 HydrophobicContact CG-CB 4.29Å; F98-K103 PolarHBondContact N-O 2.76Å; F98-K103 VanDerWaalsContact N-O 3.12Å; G101-K103 PolarHBondContact O-N 3.13Å
104R85.6Confident86.7Confident77 Ų7753.5 Ų53.529%0.29128%0.28SS..EExtended strand (participates in β ladder)trans-129128175.9-60.4174.7-163.7165.47.2108.4V95 F106V95-R104 HydrophobicContact CG2-CB 4.07Å; R104-F106 HydrophobicContact CB-CE2 4.29Å
105L88.1Confident86.5Confident30 Ų3059.8 Ų59.816%0.15731%0.314CS..EExtended strand (participates in β ladder)trans-112.8122.3174.6-64.3176.2000108.6L73 V95 L96 F98 F107L73-L105 HydrophobicContact CD1-CD1 3.38Å; V95-L105 CarbonylContact C-O 3.48Å; V95-L105 WeakPolarHBondContact CA-O 3.42Å; L96-L105 HydrophobicContact CB-CB 4.34Å; L96-L105 PolarHBondContact N-O 3.44Å; L96-L105 PolarHBondContact O-N 3.5Å; F98-L105 HydrophobicContact CE2-CD1 3.85Å; F98-L105 HydrophobicContact CE2-CG 4.18Å; F98-L105 HydrophobicContact CZ-CD1 4.31Å; L105-F107 HydrophobicContact CB-CD2 4.41Å; L105-F107 HydrophobicContact CB-CE2 3.52Å; L105-F107 HydrophobicContact CB-CZ 3.86Å; L105-F107 HydrophobicContact CD1-CZ 4.33Å
106F91.1Very high86.3Confident57 Ų5763.2 Ų63.225%0.2533%0.328CS..EExtended strand (participates in β ladder)trans-94.9134.3179.2-64.5-84.9000109.9K30 M31 V38 V85 Y94 V95 R104K30-F106 CarbonylContact C-O 3.51Å; M31-F106 HydrophobicContact CB-CB 3.93Å; M31-F106 HydrophobicContact CG-CB 3.9Å; M31-F106 PolarHBondContact N-O 3.25Å; M31-F106 HydrophobicContact SD-CB 3.89Å; V38-F106 HydrophobicContact CG1-CD2 4.24Å; V38-F106 HydrophobicContact CG2-CE2 4.43Å; V85-F106 HydrophobicContact CG2-CD1 4.44Å; V85-F106 HydrophobicContact CG2-CE1 4.49Å; Y94-F106 WeakPolarHBondContact O-CA 3.35Å; V95-F106 HydrophobicContact CB-CD1 3.98Å; V95-F106 HydrophobicContact CB-CE1 4.09Å; V95-F106 HydrophobicContact CG2-CD1 4Å; V95-F106 HydrophobicContact CG2-CE1 3.88Å; V95-F106 HydrophobicContact CG2-CZ 4.36Å; R104-F106 HydrophobicContact CB-CE2 4.29Å
107F92.1Very high86.1Confident9 Ų963.5 Ų63.54%0.03933%0.33CS..EExtended strand (participates in β ladder)trans-128.5150.9178.7-62.3-80.8000109.6G29 K30 V47 F59 F82 V93 Y94 L96 L105G29-F107 CarbonylContact O-C 3.34Å; G29-F107 VanDerWaalsContact O-CA 3.24Å; G29-F107 WeakPolarHBondContact O-CA 3.32Å; K30-F107 HydrophobicContact CB-CD1 4.02Å; K30-F107 HydrophobicContact CB-CE1 3.93Å; V47-F107 HydrophobicContact CG2-CD1 4.09Å; V47-F107 HydrophobicContact CG2-CE1 4.32Å; F59-F107 HydrophobicContact CE1-CE1 4.18Å; F59-F107 AromaticContact CE1-CE2 3.95Å; F59-F107 HydrophobicContact CE1-CE2 3.95Å; F59-F107 AromaticContact CE1-CZ 3.55Å; F59-F107 HydrophobicContact CE1-CZ 3.55Å; F59-F107 AromaticContact CZ-CE2 3.98Å; F59-F107 HydrophobicContact CZ-CE2 3.98Å; F59-F107 AromaticContact CZ-CZ 3.97Å; F59-F107 HydrophobicContact CZ-CZ 3.97Å; F82-F107 HydrophobicContact CE2-CD2 4.13Å; V93-F107 CarbonylContact C-O 3.54Å; V93-F107 WeakPolarHBondContact CA-O 3.27Å; Y94-F107 PolarHBondContact N-O 3.45Å; Y94-F107 PolarHBondContact O-N 3.24Å; Y94-F107 VanDerWaalsContact O-O 3.05Å; L96-F107 HydrophobicContact CB-CD2 4.35Å; L96-F107 HydrophobicContact CB-CE2 3.89Å; L96-F107 HydrophobicContact CD2-CE2 4.48Å; L105-F107 HydrophobicContact CB-CD2 4.41Å; L105-F107 HydrophobicContact CB-CE2 3.52Å; L105-F107 HydrophobicContact CB-CZ 3.86Å; L105-F107 HydrophobicContact CD1-CZ 4.33Å
108W92.2Very high86Confident73 Ų7365.8 Ų65.828%0.27734%0.342SS..EExtended strand (participates in β ladder)trans-130.6129.117664.6-82.6000110.7A28 G29 M31 D41 R92 V93 Q110A28-W108 CarbonylContact C-O 3.58Å; A28-W108 WeakPolarHBondContact CA-O 3.38Å; A28-W108 WeakPolarHBondContact CB-O 3.14Å; G29-W108 PolarHBondContact N-O 2.88Å; G29-W108 PolarHBondContact O-N 3.17Å; M31-W108 HydrophobicContact CE-CB 3.95Å; M31-W108 HydrophobicContact CE-CG 4.29Å; D41-W108 WeakPolarHBondContact O-CZ2 3.34Å; D41-W108 PolarHBondContact O-NE1 3.19Å; D41-W108 VanDerWaalsContact O-NE1 3.13Å; R92-W108 CarbonylContact O-C 3.47Å; R92-W108 VanDerWaalsContact O-CA 3.28Å; R92-W108 WeakPolarHBondContact O-CA 3.37Å; V93-W108 HydrophobicContact CG2-CB 4.31Å; W108-Q110 HydrophobicContact CD2-CG 4.24Å; W108-Q110 HydrophobicContact CE3-CG 3.76Å; W108-Q110 HydrophobicContact CH2-CG 3.55Å; W108-Q110 HydrophobicContact CZ2-CG 4.02Å; W108-Q110 HydrophobicContact CZ3-CG 3.41Å; W108-Q110 VanDerWaalsContact CZ3-CG 3.41Å; W108-Q110 PolarHBondContact O-N 2.77Å
109M92.4Very high86.2Confident3 Ų369.5 Ų69.52%0.01536%0.36CS..EExtended strand (participates in β ladder)trans-67.5127.5-176.4-63.4-59.9-172.800110.4F26 A28 F82 R92 Y94 H120F26-M109 HydrophobicContact CD2-CE 4.01Å; F26-M109 HydrophobicContact CD2-SD 3.5Å; F26-M109 VanDerWaalsContact CD2-SD 3.5Å; F26-M109 HydrophobicContact CE2-CE 3.65Å; F26-M109 HydrophobicContact CE2-SD 3.52Å; F26-M109 VanDerWaalsContact CE2-SD 3.52Å; F26-M109 HydrophobicContact CZ-CE 4.32Å; A28-M109 HydrophobicContact CB-SD 4.2Å; F82-M109 HydrophobicContact CE1-CE 4.15Å; F82-M109 HydrophobicContact CZ-CE 4.25Å; R92-M109 HydrophobicContact CB-CB 4.22Å; R92-M109 PolarHBondContact O-N 3.38Å; Y94-M109 HydrophobicContact CD1-CE 4.32Å; Y94-M109 HydrophobicContact CD2-CE 3.63Å; Y94-M109 HydrophobicContact CD2-CG 3.68Å; Y94-M109 HydrophobicContact CD2-SD 4.38Å; Y94-M109 HydrophobicContact CE1-CE 4.36Å; Y94-M109 HydrophobicContact CE2-CE 3.69Å; Y94-M109 HydrophobicContact CE2-CG 3.54Å; Y94-M109 HydrophobicContact CE2-SD 4.48Å; Y94-M109 HydrophobicContact CG-CE 3.98Å; M109-H120 HydrophobicContact CE-CB 4.48Å
110Q91.7Very high86.4Confident35 Ų3565 Ų6516%0.16434%0.34CS..  trans-1052.6177.3-71.5-178.22.300112.2R27 R43 G45 W108R27-Q110 HydrophobicContact CB-CB 3.98Å; R27-Q110 PolarHBondContact O-N 3.31Å; R43-Q110 PolarHBondContact O-NE2 2.98Å; G45-Q110 VanDerWaalsContact N-OE1 3.17Å; W108-Q110 HydrophobicContact CD2-CG 4.24Å; W108-Q110 HydrophobicContact CE3-CG 3.76Å; W108-Q110 HydrophobicContact CH2-CG 3.55Å; W108-Q110 HydrophobicContact CZ2-CG 4.02Å; W108-Q110 HydrophobicContact CZ3-CG 3.41Å; W108-Q110 VanDerWaalsContact CZ3-CG 3.41Å; W108-Q110 PolarHBondContact O-N 2.77Å
111E89.1Confident87.1Confident32 Ų3262.8 Ų62.815%0.1532%0.32CS..  trans-63.5140.8172.9-69.8-59.6156.300110.5R27 R92 K113R27-E111 HydrophobicContact CB-CG 4.35Å; R27-E111 VanDerWaalsContact CB-OE1 3.25Å; R27-E111 WeakPolarHBondContact CB-OE1 3.11Å; R27-E111 VanDerWaalsContact CD-OE1 3.29Å; R27-E111 WeakPolarHBondContact CD-OE1 3.29Å; R27-E111 WeakPolarHBondContact CG-OE1 3.43Å; R27-E111 PolarHBondContact N-OE1 3.38Å; R27-E111 IonicContact NE-OE1 2.72Å; R92-E111 PolarHBondContact NH1-O 3.2Å; E111-K113 VanDerWaalsContact C-N 3.29Å; E111-K113 PolarHBondContact O-N 3.42Å
112P87.6Confident88.1Confident95 Ų9569.3 Ų69.362%0.61733%0.329SS*.SBendtrans-68.8-33-179.627-31.5000111.4
113K88.3Confident88.8Confident141 Ų14171.5 Ų71.561%0.61334%0.335SS*.  trans-102.2136-178.4-61.4-180-179.3-177.80110E111E111-K113 VanDerWaalsContact C-N 3.29Å; E111-K113 PolarHBondContact O-N 3.42Å
114T88.1Confident89.2Confident72 Ų7266.5 Ų66.544%0.44231%0.313SS..SBendtrans-87.2-12.5177.849.30000113.3R92 Q116 D117R92-T114 HydrophobicContact CG-CG2 4.41Å; R92-T114 VanDerWaalsContact NH2-CG2 3.28Å; T114-Q116 PolarHBondContact O-N 3.45Å; T114-Q116 VanDerWaalsContact O-N 3.15Å; T114-D117 WeakPolarHBondContact O-CB 3.35Å; T114-D117 PolarHBondContact O-N 3.06Å; T114-D117 VanDerWaalsContact O-N 3.12Å
115D87.1Confident89.4Confident135 Ų13565 Ų6572%0.72231%0.31SS*.THydrogen-bonded Turntrans-59.1-28-177.4-57.4-84.7000113
116Q86.8Confident89.5Confident95 Ų9568.4 Ų68.444%0.44433%0.326SS..THydrogen-bonded Turntrans-94-8.4-177.8-62-171.4-700113.2T114 E118 E119 H120T114-Q116 PolarHBondContact O-N 3.45Å; T114-Q116 VanDerWaalsContact O-N 3.15Å; Q116-E118 VanDerWaalsContact C-N 3.34Å; Q116-E118 PolarHBondContact O-N 2.98Å; Q116-E119 PolarHBondContact O-N 3.16Å; Q116-E119 VanDerWaalsContact O-N 3.17Å; Q116-H120 WeakPolarHBondContact O-CB 3.43Å; Q116-H120 PolarHBondContact O-CD2 3.26Å; Q116-H120 VanDerWaalsContact O-CG 3.31Å; Q116-H120 PolarHBondContact O-N 3.06Å
117D86.7Confident89.2Confident6 Ų668.8 Ų68.83%0.03233%0.326CS..Hα-helixtrans-62.1-42.2-173.8-7315.5000111.5Y94 T114 C121Y94-D117 HydrophobicContact CE2-CB 4.46Å; Y94-D117 WeakPolarHBondContact OH-CB 3.28Å; T114-D117 WeakPolarHBondContact O-CB 3.35Å; T114-D117 PolarHBondContact O-N 3.06Å; T114-D117 VanDerWaalsContact O-N 3.12Å; D117-C121 WeakPolarHBondContact O-CB 3.45Å; D117-C121 PolarHBondContact O-N 3.33Å
118E87.5Confident88.8Confident129 Ų12968.5 Ų68.560%0.60333%0.325SS*.Hα-helixtrans-70.5-36.8176.9-66.2-173.2174.600112.1R84 Q116 C121 R122R84-E118 IonicContact NH1-OE1 2.67Å; R84-E118 PolarHBondContact NH1-OE1 2.63Å; Q116-E118 VanDerWaalsContact C-N 3.34Å; Q116-E118 PolarHBondContact O-N 2.98Å; E118-C121 PolarHBondContact O-N 2.9Å; E118-R122 WeakPolarHBondContact O-CB 3.35Å; E118-R122 PolarHBondContact O-N 3.15Å
119E89.8Confident88.4Confident100 Ų10067 Ų6747%0.46732%0.322SS..Hα-helixtrans-68-41.7176.9-172.7172.7175.100111.5Q116 R122 K123Q116-E119 PolarHBondContact O-N 3.16Å; Q116-E119 VanDerWaalsContact O-N 3.17Å; E119-R122 PolarHBondContact O-N 3.11Å; E119-K123 HydrophobicContact CG-CD 4.29Å; E119-K123 WeakPolarHBondContact O-CB 3.47Å; E119-K123 WeakPolarHBondContact O-CG 3.3Å; E119-K123 PolarHBondContact O-N 3.34Å; E119-K123 WeakPolarHBondContact OE1-CE 3.21Å; E119-K123 IonicContact OE1-NZ 2.71Å; E119-K123 PolarHBondContact OE1-NZ 2.75Å
120H90.1Very high87.9Confident19 Ų1972.1 Ų72.19%0.08835%0.349CS..Hα-helixtrans-61.6-45.3172.7-70-51.4000111.1F26 M109 Q116 R122 K123 V124F26-H120 HydrophobicContact CD1-CB 4.38Å; F26-H120 HydrophobicContact CG-CB 4.4Å; M109-H120 HydrophobicContact CE-CB 4.48Å; Q116-H120 WeakPolarHBondContact O-CB 3.43Å; Q116-H120 PolarHBondContact O-CD2 3.26Å; Q116-H120 VanDerWaalsContact O-CG 3.31Å; Q116-H120 PolarHBondContact O-N 3.06Å; H120-R122 VanDerWaalsContact C-N 3.33Å; H120-R122 PolarHBondContact O-N 2.84Å; H120-K123 PolarHBondContact O-N 3.46Å; H120-V124 WeakPolarHBondContact O-CB 3.31Å; H120-V124 VanDerWaalsContact O-CG2 3.22Å; H120-V124 WeakPolarHBondContact O-CG2 3.31Å; H120-V124 PolarHBondContact O-N 3.4Å
121C88.9Confident86.9Confident21 Ų2171 Ų7114%0.14235%0.346CS..Hα-helixtrans-58.9-45176.7-1730000111.9F82 Y94 D117 E118 N125F82-C121 HydrophobicContact CD1-CB 4.2Å; F82-C121 HydrophobicContact CE1-CB 4.31Å; Y94-C121 HydrophobicContact CD1-CB 4.3Å; Y94-C121 HydrophobicContact CE1-CB 3.66Å; D117-C121 WeakPolarHBondContact O-CB 3.45Å; D117-C121 PolarHBondContact O-N 3.33Å; E118-C121 PolarHBondContact O-N 2.9Å; C121-N125 WeakPolarHBondContact O-CB 2.99Å; C121-N125 PolarHBondContact O-N 3.22Å
122R90.3Very high85.7Confident188 Ų18872.8 Ų72.871%0.70936%0.359SS*.Hα-helixtrans-63.2-47.6178.1-176178.1176.4173.20.8111.4E118 E119 H120 N125 E126E118-R122 WeakPolarHBondContact O-CB 3.35Å; E118-R122 PolarHBondContact O-N 3.15Å; E119-R122 PolarHBondContact O-N 3.11Å; H120-R122 VanDerWaalsContact C-N 3.33Å; H120-R122 PolarHBondContact O-N 2.84Å; R122-N125 PolarHBondContact O-N 3.49Å; R122-E126 WeakPolarHBondContact O-CB 3.4Å; R122-E126 PolarHBondContact O-N 2.79Å
123K89.7Confident84.2Confident79 Ų7974.6 Ų74.634%0.34336%0.362SS..Hα-helixtrans-60.2-48178.1-75.8175.8-176.7165.90111.4V24 E119 H120 N125 E126 Y127V24-K123 HydrophobicContact CG1-CB 4.43Å; V24-K123 HydrophobicContact CG2-CB 3.97Å; E119-K123 HydrophobicContact CG-CD 4.29Å; E119-K123 WeakPolarHBondContact O-CB 3.47Å; E119-K123 WeakPolarHBondContact O-CG 3.3Å; E119-K123 PolarHBondContact O-N 3.34Å; E119-K123 WeakPolarHBondContact OE1-CE 3.21Å; E119-K123 IonicContact OE1-NZ 2.71Å; E119-K123 PolarHBondContact OE1-NZ 2.75Å; H120-K123 PolarHBondContact O-N 3.46Å; K123-N125 VanDerWaalsContact C-N 3.34Å; K123-N125 PolarHBondContact O-N 2.84Å; K123-E126 PolarHBondContact O-N 3.46Å; K123-Y127 HydrophobicContact CB-CD2 4.49Å; K123-Y127 HydrophobicContact CB-CE2 4.35Å; K123-Y127 WeakPolarHBondContact O-CD2 3.37Å; K123-Y127 PolarHBondContact O-N 2.82Å
124V90.8Very high82.5Confident0 Ų071.7 Ų71.70%036%0.357CS..Hα-helixtrans-54.4-53.2175.8168.90000110V24 F26 I49 F59 F82 H120 E126 Y127 L128V24-V124 HydrophobicContact CG1-CG2 4.29Å; F26-V124 HydrophobicContact CD1-CG2 4.49Å; F26-V124 HydrophobicContact CE1-CG2 3.55Å; F26-V124 HydrophobicContact CZ-CG2 4.12Å; I49-V124 HydrophobicContact CD1-CB 4.14Å; I49-V124 HydrophobicContact CD1-CG1 3.95Å; I49-V124 HydrophobicContact CD1-CG2 3.89Å; F59-V124 HydrophobicContact CE2-CG1 4.42Å; F82-V124 HydrophobicContact CB-CG1 3.67Å; F82-V124 HydrophobicContact CD1-CB 4.06Å; F82-V124 HydrophobicContact CD1-CG1 3.85Å; F82-V124 HydrophobicContact CD2-CG1 4.33Å; F82-V124 HydrophobicContact CG-CB 4.41Å; F82-V124 HydrophobicContact CG-CG1 3.7Å; H120-V124 WeakPolarHBondContact O-CB 3.31Å; H120-V124 VanDerWaalsContact O-CG2 3.22Å; H120-V124 WeakPolarHBondContact O-CG2 3.31Å; H120-V124 PolarHBondContact O-N 3.4Å; V124-E126 VanDerWaalsContact C-N 3.28Å; V124-E126 PolarHBondContact O-N 3.24Å; V124-Y127 PolarHBondContact O-N 3.25Å; V124-L128 HydrophobicContact CG1-CD1 3.65Å; V124-L128 HydrophobicContact CG1-CG 4.18Å; V124-L128 WeakPolarHBondContact O-CB 3.46Å; V124-L128 WeakPolarHBondContact O-CG 2.98Å; V124-L128 PolarHBondContact O-N 3.41Å
125N89.8Confident80.8Confident46 Ų4671.7 Ų71.725%0.24637%0.371CS..Hα-helixtrans-65.6-31.9-177.3-155.971.2000112.6F82 C121 R122 K123 N129F82-N125 PolarHBondContact N-OD1 3.39Å; C121-N125 WeakPolarHBondContact O-CB 2.99Å; C121-N125 PolarHBondContact O-N 3.22Å; R122-N125 PolarHBondContact O-N 3.49Å; K123-N125 VanDerWaalsContact C-N 3.34Å; K123-N125 PolarHBondContact O-N 2.84Å; N125-N129 VanDerWaalsContact CG-ND2 3.33Å; N125-N129 PolarHBondContact ND2-ND2 3.26Å; N125-N129 WeakPolarHBondContact O-CB 3.14Å; N125-N129 PolarHBondContact O-N 2.91Å; N125-N129 VanDerWaalsContact O-N 3.07Å; N125-N129 PolarHBondContact O-ND2 3Å; N125-N129 PolarHBondContact OD1-ND2 3.22Å
126E88.9Confident79.3Confident102 Ų10268.3 Ų68.348%0.47736%0.362SS..Hα-helixtrans-65.7-47.8174.4-172.2173.5165.700111.7R122 K123 V124 L128 N129 N130R122-E126 WeakPolarHBondContact O-CB 3.4Å; R122-E126 PolarHBondContact O-N 2.79Å; K123-E126 PolarHBondContact O-N 3.46Å; V124-E126 VanDerWaalsContact C-N 3.28Å; V124-E126 PolarHBondContact O-N 3.24Å; E126-L128 VanDerWaalsContact C-N 3.33Å; E126-L128 PolarHBondContact O-N 3.12Å; E126-N129 PolarHBondContact O-N 3.39Å; E126-N130 WeakPolarHBondContact O-CA 3.38Å; E126-N130 WeakPolarHBondContact O-CB 3.43Å; E126-N130 PolarHBondContact O-N 2.81Å
127Y85.3Confident78Confident65 Ų6568.7 Ų68.726%0.25537%0.367SS..Hα-helixtrans-69.9-28.8177.8-70.5-66.8000113.4L23 V24 K123 V124L23-Y127 HydrophobicContact CB-CD1 4.19Å; L23-Y127 HydrophobicContact CB-CD2 4.3Å; L23-Y127 HydrophobicContact CB-CE1 4.16Å; L23-Y127 HydrophobicContact CB-CE2 4.28Å; L23-Y127 HydrophobicContact CB-CG 4.27Å; L23-Y127 HydrophobicContact CD1-CD1 4.25Å; L23-Y127 HydrophobicContact CD2-CD1 3.9Å; L23-Y127 HydrophobicContact CD2-CE1 3.58Å; L23-Y127 HydrophobicContact CG-CD1 4.35Å; L23-Y127 HydrophobicContact CG-CE1 4.36Å; V24-Y127 HydrophobicContact CG2-CD2 3.19Å; V24-Y127 HydrophobicContact CG2-CE2 3.32Å; V24-Y127 HydrophobicContact CG2-CG 4.33Å; K123-Y127 HydrophobicContact CB-CD2 4.49Å; K123-Y127 HydrophobicContact CB-CE2 4.35Å; K123-Y127 WeakPolarHBondContact O-CD2 3.37Å; K123-Y127 PolarHBondContact O-N 2.82Å; V124-Y127 PolarHBondContact O-N 3.25Å
128L84.5Confident76.6Confident2 Ų271.8 Ų71.81%0.0140%0.4CS..Hα-helixtrans-72.9-36.1175.3-68.2178000112.7I57 I75 P77 D78 C80 F82 L96 V124 E126I57-L128 HydrophobicContact CG2-CD2 4.13Å; I75-L128 HydrophobicContact CB-CD2 3.94Å; I75-L128 HydrophobicContact CG1-CD2 4.04Å; I75-L128 HydrophobicContact CG2-CD2 3.79Å; P77-L128 WeakPolarHBondContact CA-O 3.25Å; D78-L128 PolarHBondContact N-O 2.87Å; C80-L128 HydrophobicContact CB-CD1 4.12Å; F82-L128 HydrophobicContact CB-CD1 4.38Å; L96-L128 HydrophobicContact CD1-CD1 3.66Å; V124-L128 HydrophobicContact CG1-CD1 3.65Å; V124-L128 HydrophobicContact CG1-CG 4.18Å; V124-L128 WeakPolarHBondContact O-CB 3.46Å; V124-L128 WeakPolarHBondContact O-CG 2.98Å; V124-L128 PolarHBondContact O-N 3.41Å; E126-L128 VanDerWaalsContact C-N 3.33Å; E126-L128 PolarHBondContact O-N 3.12Å
129N82.6Confident75Confident41 Ų4170.5 Ų70.522%0.21941%0.411CS..Hα-helixtrans-96-23.1-178.4-62.5-66.7000113.3D78 N125 E126D78-N129 WeakPolarHBondContact CA-OD1 3.47Å; D78-N129 PolarHBondContact OD1-OD1 3.25Å; N125-N129 VanDerWaalsContact CG-ND2 3.33Å; N125-N129 PolarHBondContact ND2-ND2 3.26Å; N125-N129 WeakPolarHBondContact O-CB 3.14Å; N125-N129 PolarHBondContact O-N 2.91Å; N125-N129 VanDerWaalsContact O-N 3.07Å; N125-N129 PolarHBondContact O-ND2 3Å; N125-N129 PolarHBondContact OD1-ND2 3.22Å; E126-N129 PolarHBondContact O-N 3.39Å
130N81.6Confident73Confident111 Ų11170.6 Ų70.659%0.59442%0.423SS*.SBendtrans-130.978.9-178.5-172.757000110.3E126E126-N130 WeakPolarHBondContact O-CA 3.38Å; E126-N130 WeakPolarHBondContact O-CB 3.43Å; E126-N130 PolarHBondContact O-N 2.81Å
131P72.3Confident71.8Confident13 Ų1372 Ų728%0.08444%0.443CS..  trans-62.8140.8177.731.7-40.5000110.2I57 P77 M133I57-P131 HydrophobicContact CD1-CB 4.05Å; I57-P131 HydrophobicContact CG1-CB 3.99Å; P77-P131 HydrophobicContact CB-CG 4.27Å; P77-P131 HydrophobicContact CG-CG 3.6Å; P131-M133 PolarHBondContact O-N 3.1Å
132P62.5Low70Confident68 Ų6877.9 Ų77.944%0.44248%0.484SS..SBendtrans-682.7-172.923.4-30.9000116L23L23-P132 HydrophobicContact CD2-CG 4.11Å
133M56.4Low68.5Low134 Ų13474.1 Ų74.166%0.6649%0.487SS*.  trans-161.6103.9163.7-146.9170.6-14100110.8P131 G135P131-M133 PolarHBondContact O-N 3.1Å; M133-G135 PolarHBondContact O-N 3.31Å
134P53.1Low66.9Low79 Ų7973.4 Ų73.451%0.51350%0.502SS..  trans-83.639.2-176.232.9-33.6000112.8A136 L137P134-A136 PolarHBondContact O-N 2.87Å; P134-L137 HydrophobicContact CB-CD1 3.79Å; P134-L137 HydrophobicContact CB-CG 4.25Å; P134-L137 PolarHBondContact O-N 3.13Å
135G53Low65.1Low72 Ų7280.1 Ų80.174%0.74253%0.533SS*.THydrogen-bonded Turntrans-70.2-17.8-177.700000114.4M133M133-G135 PolarHBondContact O-N 3.31Å
136A55.9Low63.5Low65 Ų6585.3 Ų85.354%0.53756%0.556SS.*THydrogen-bonded Turntrans-94.5-5.8-179.800000113.9P134 G138P134-A136 PolarHBondContact O-N 2.87Å; A136-G138 PolarHBondContact O-N 3.3Å
137L58.8Low62.1Low103 Ų10387.7 Ų87.754%0.53957%0.571SS.*SBendtrans-72.599.6172.1-66179.4000107.6P77 P134 A139P77-L137 HydrophobicContact CG-CD2 4.26Å; P134-L137 HydrophobicContact CB-CD1 3.79Å; P134-L137 HydrophobicContact CB-CG 4.25Å; P134-L137 PolarHBondContact O-N 3.13Å; L137-A139 PolarHBondContact O-N 2.81Å
138G56.8Low61.1Low70 Ų7089.9 Ų89.972%0.72260%0.595SS**  trans-48.5127.8178.500000110.9A136 S140A136-G138 PolarHBondContact O-N 3.3Å; G138-S140 PolarHBondContact O-N 2.84Å
139A54.4Low59.6Low102 Ų10292.4 Ų92.484%0.84362%0.617SS**  trans-68.494.7175.600000109L137 G141L137-A139 PolarHBondContact O-N 2.81Å; A139-G141 PolarHBondContact O-N 3.1Å
140S47.6Very low58.2Low103 Ų10398.2 Ų98.272%0.7265%0.647SS**  trans-74.992.1175-166.70000109.4G138G138-S140 PolarHBondContact O-N 2.84Å
141G64.8Low57Low49 Ų4997.4 Ų97.451%0.50567%0.665SS.*  trans-82-159.4161.300000111.6A139 S143A139-G141 PolarHBondContact O-N 3.1Å; G141-S143 PolarHBondContact O-N 3.4Å
142S51.6Low56.2Low143 Ų14399.7 Ų99.7100%169%0.691SS**THydrogen-bonded Turntrans-6632.9-179.3-171.30000115.3
143S58.1Low55.8Low110 Ų110104.4 Ų104.477%0.76971%0.707SS**THydrogen-bonded Turntrans-1449.7-172.561.10000115.3G141 H145G141-S143 PolarHBondContact O-N 3.4Å; S143-H145 PolarHBondContact O-N 3.3Å
144G57Low55.8Low64 Ų64100.6 Ų100.666%0.6670%0.702SS**  trans-89.973.5174.200000112.5
145H53.2Low56.1Low141 Ų14199.1 Ų99.165%0.65370%0.701SS**  trans-123.4104.6173-173.8-75.9000110S143 L147S143-H145 PolarHBondContact O-N 3.3Å; H145-L147 WeakPolarHBondContact ND1-CG 3.48Å; H145-L147 PolarHBondContact O-N 3.46Å; H145-L147 VanDerWaalsContact O-N 3.1Å
146E55.3Low56.4Low155 Ų155102.3 Ų102.372%0.72470%0.701SS**  trans-70.8101.7167-83.5-150.487.500109.2S148 A149E146-S148 PolarHBondContact O-N 3.2Å; E146-S148 VanDerWaalsContact O-N 3.12Å; E146-A149 HydrophobicContact CB-CB 3.8Å; E146-A149 HydrophobicContact CG-CB 4.34Å; E146-A149 VanDerWaalsContact OE2-CB 3.32Å; E146-A149 WeakPolarHBondContact OE2-CB 3.35Å
147L59.3Low56.5Low152 Ų152105.8 Ų105.880%0.79671%0.706SS**THydrogen-bonded Turntrans-65.5-8.6177.6-81.8162.9000113.8H145H145-L147 WeakPolarHBondContact ND1-CG 3.48Å; H145-L147 PolarHBondContact O-N 3.46Å; H145-L147 VanDerWaalsContact O-N 3.1Å
148S64.4Low56.4Low110 Ų110105.5 Ų105.577%0.76971%0.712SS**THydrogen-bonded Turntrans-161.562.9177.6-73.80000111E146 L150E146-S148 PolarHBondContact O-N 3.2Å; E146-S148 VanDerWaalsContact O-N 3.12Å; S148-L150 PolarHBondContact O-N 2.97Å
149A54Low56.5Low56 Ų56109.2 Ų109.246%0.46372%0.715SS.*SBendtrans-75.581167.300000109.4E146E146-A149 HydrophobicContact CB-CB 3.8Å; E146-A149 HydrophobicContact CG-CB 4.34Å; E146-A149 VanDerWaalsContact OE2-CB 3.32Å; E146-A149 WeakPolarHBondContact OE2-CB 3.35Å
150L52.9Low56.8Low162 Ų162111 Ų11185%0.84871%0.709SS**  trans68.999.5168.1-48.9178.9000115.2S148 G152S148-L150 PolarHBondContact O-N 2.97Å; L150-G152 PolarHBondContact O-N 2.73Å
151G55.8Low57.3Low95 Ų95109.5 Ų109.598%0.97971%0.711SS**  trans-58.194.5170.800000112.3
152G55.3Low56.9Low61 Ų61113.5 Ų113.563%0.62972%0.72SS**SBendtrans-138.3136.9161.200000106.3L150 G154L150-G152 PolarHBondContact O-N 2.73Å; G152-G154 PolarHBondContact O-N 3.36Å
153E55.1Low57.1Low167 Ų167114.7 Ų114.778%0.7871%0.712SS**  trans-47.394.9-175.9179.3-101129.500111.8G155E153-G155 PolarHBondContact O-N 3.12Å
154G56.2Low57.3Low53 Ų53112.5 Ų112.555%0.54670%0.697SS.*  trans-72.8111173.900000107.7G152 L156 Q157G152-G154 PolarHBondContact O-N 3.36Å; G154-L156 PolarHBondContact O-N 3.48Å; G154-Q157 PolarHBondContact O-N 3.14Å
155G59.7Low57.2Low49 Ų49117.4 Ų117.451%0.50570%0.702SS.*G310 helixtrans-56.711.2179.300000116.5E153 Q157 S158E153-G155 PolarHBondContact O-N 3.12Å; G155-Q157 PolarHBondContact O-N 3.15Å; G155-S158 PolarHBondContact O-N 3.32Å
156L57.8Low57.5Low138 Ų138114.2 Ų114.272%0.72370%0.696SS**G310 helixtrans-66.5-23.3168.5-139.8151.2000111.7G154 S158 L159G154-L156 PolarHBondContact O-N 3.48Å; L156-S158 VanDerWaalsContact C-N 3.27Å; L156-S158 PolarHBondContact O-N 2.78Å; L156-L159 PolarHBondContact O-N 3.18Å
157Q58.2Low57.5Low139 Ų139111.7 Ų111.765%0.6568%0.684SS**G310 helixtrans-66.9-25.8177.3-159.166.268.100113.1G154 G155 L159 L160G154-Q157 PolarHBondContact O-N 3.14Å; G155-Q157 PolarHBondContact O-N 3.15Å; Q157-L159 PolarHBondContact O-N 2.98Å; Q157-L160 PolarHBondContact O-N 3.35Å
158S57.8Low57.5Low96 Ų96111 Ų11167%0.67168%0.68SS**G310 helixtrans-68.1-18.8179.9-81.80000114.1G155 L156G155-S158 PolarHBondContact O-N 3.32Å; L156-S158 VanDerWaalsContact C-N 3.27Å; L156-S158 PolarHBondContact O-N 2.78Å
159L58.4Low57.3Low149 Ų149112.5 Ų112.578%0.7868%0.677SS**G310 helixtrans-87.5-18.4175.5-71.3174.5000113.7L156 Q157L156-L159 PolarHBondContact O-N 3.18Å; Q157-L159 PolarHBondContact O-N 2.98Å
160L60.2Low57.5Low139 Ų139116.5 Ų116.573%0.72869%0.686SS**THydrogen-bonded Turntrans-84.5-15.5-174-120.168.3000113.6Q157Q157-L160 PolarHBondContact O-N 3.35Å
161G58.3Low57.6Low72 Ų72116.4 Ų116.474%0.74269%0.686SS**SBendtrans-111.3-10.6-16900000117.5
162N56.1Low57.7Low133 Ų133118.1 Ų118.171%0.71167%0.671SS**  trans-136.845.1-163.2-161.464.2000115.7
163M56.3Low57.9Low167 Ų167117.3 Ų117.382%0.82366%0.662SS**  trans-99.781.1165.2-151.9147.3-163.300109.7Q167M163-Q167 HydrophobicContact CE-CB 4.36Å; M163-Q167 HydrophobicContact CE-CG 3.99Å
164S62.1Low58.2Low64 Ų64116.6 Ų116.645%0.44867%0.672SS.*  trans-75149.1175.558.10000111S166 Q167S164-S166 PolarHBondContact O-N 3.41Å; S164-S166 PolarHBondContact OG-OG 2.92Å; S164-Q167 PolarHBondContact O-N 2.84Å; S164-Q167 VanDerWaalsContact O-N 3.11Å
165H55.2Low58.4Low167 Ų167118.2 Ų118.277%0.77368%0.68SS**G310 helixtrans-51.5-10.8-176.2-171.4-138.2000115.2
166S59.2Low58.2Low74 Ų74119.5 Ų119.552%0.51769%0.693SS.*G310 helixtrans-74.9-18.3175.748.80000114.6S164 L168 M169S164-S166 PolarHBondContact O-N 3.41Å; S164-S166 PolarHBondContact OG-OG 2.92Å; S166-L168 VanDerWaalsContact C-N 3.29Å; S166-L168 PolarHBondContact O-N 2.93Å; S166-M169 PolarHBondContact O-N 3.4Å
167Q55.7Low58.4Low102 Ų102120 Ų12048%0.47770%0.696SS.*G310 helixtrans-75.9-15.7176.3-149.971.9-115.900112.9M163 S164 M169M163-Q167 HydrophobicContact CE-CB 4.36Å; M163-Q167 HydrophobicContact CE-CG 3.99Å; S164-Q167 PolarHBondContact O-N 2.84Å; S164-Q167 VanDerWaalsContact O-N 3.11Å; Q167-M169 VanDerWaalsContact C-N 3.3Å; Q167-M169 PolarHBondContact O-N 3.22Å
168L59Low58.6Low137 Ų137116.4 Ų116.472%0.71770%0.697SS**G310 helixtrans-72.1-22.7173.7-70.9177.8000112.8S166S166-L168 VanDerWaalsContact C-N 3.29Å; S166-L168 PolarHBondContact O-N 2.93Å
169M60.8Low58.8Low142 Ų142114.5 Ų114.570%0.769%0.692SS**THydrogen-bonded Turntrans-93.1-17.4-179.2-158.367.1-176.100113.4S166 Q167 L171 I172S166-M169 PolarHBondContact O-N 3.4Å; Q167-M169 VanDerWaalsContact C-N 3.3Å; Q167-M169 PolarHBondContact O-N 3.22Å; M169-L171 VanDerWaalsContact C-N 3.29Å; M169-L171 PolarHBondContact O-N 2.82Å; M169-I172 HydrophobicContact CE-CD1 4.03Å; M169-I172 HydrophobicContact SD-CD1 4.22Å
170Q57.4Low59Low141 Ų141114.4 Ų114.466%0.65969%0.692SS**SBendtrans-82.71.3178.3-77.4-177.2-23.100114.1I172Q170-I172 PolarHBondContact O-N 3.2Å
171L54.5Low59.1Low160 Ų160111.4 Ų111.484%0.83869%0.694SS**SBendtrans-79.220.7167.3-161.872.8000112.7M169M169-L171 VanDerWaalsContact C-N 3.29Å; M169-L171 PolarHBondContact O-N 2.82Å
172I59.2Low59.3Low131 Ų131111.2 Ų111.267%0.67269%0.692SS**  trans-121.661.5175.3-52.5172.4000107.5M169 Q170M169-I172 HydrophobicContact CE-CD1 4.03Å; M169-I172 HydrophobicContact SD-CD1 4.22Å; Q170-I172 PolarHBondContact O-N 3.2Å
173G59.8Low59.7Low43 Ų43112.4 Ų112.444%0.44370%0.697SS.*  trans-85.4149.8168.500000110.9A175G173-A175 PolarHBondContact O-N 3.04Å
174P60.4Low60.1Low152 Ų152107.4 Ų107.499%0.98769%0.688SS**SBendtrans-70.4-3.8-174.229.8-35.5000114.3
175A60.8Low60.4Low88 Ų88108.7 Ų108.773%0.72770%0.703SS**SBendtrans-129.489.6173.500000108.8G173 L177G173-A175 PolarHBondContact O-N 3.04Å; A175-L177 PolarHBondContact O-N 2.91Å
176G56.1Low60.7Low75 Ų75108.6 Ų108.677%0.77371%0.708SS**  trans-65.6119.6175.600000111G178G176-G178 VanDerWaalsContact C-N 3.26Å; G176-G178 PolarHBondContact O-N 3.45Å
177L61.3Low61.1Low148 Ų148112 Ų11278%0.77573%0.726SS**  trans-78.675.1173.1-16879.9000109.7A175 G179 L180A175-L177 PolarHBondContact O-N 2.91Å; L177-G179 PolarHBondContact O-N 3.21Å; L177-L180 HydrophobicContact CD1-CD1 4.3Å
178G61.3Low61.6Low65 Ų65110 Ų11067%0.6773%0.731SS**  trans-72.6111.7173.400000111.6G176 L180G176-G178 VanDerWaalsContact C-N 3.26Å; G176-G178 PolarHBondContact O-N 3.45Å; G178-L180 VanDerWaalsContact C-N 3.33Å; G178-L180 PolarHBondContact O-N 3.38Å
179G62.9Low61.9Low55 Ų55106.2 Ų106.257%0.56772%0.715SS**SBendtrans69.83.4153.400000119.4L177 G181 G182L177-G179 PolarHBondContact O-N 3.21Å; G179-G181 PolarHBondContact O-N 3.02Å; G179-G182 PolarHBondContact O-N 3.29Å
180L61.8Low62.2Low148 Ų148102.7 Ų102.778%0.77572%0.716SS**THydrogen-bonded Turntrans-74.749.3179-72.5170.1000114.1L177 G178L177-L180 HydrophobicContact CD1-CD1 4.3Å; G178-L180 VanDerWaalsContact C-N 3.33Å; G178-L180 PolarHBondContact O-N 3.38Å
181G62.6Low62.5Low76 Ų76104.2 Ų104.278%0.78473%0.727SS**THydrogen-bonded Turntrans176.6-8.5-177.600000112.8G179G179-G181 PolarHBondContact O-N 3.02Å
182G63.6Low62.8Low67 Ų6798.8 Ų98.869%0.69171%0.706SS**  trans-105.927178.200000113.8G179 G184G179-G182 PolarHBondContact O-N 3.29Å; G182-G184 PolarHBondContact O-N 3.15Å
183L64.7Low63Low158 Ų15896.5 Ų96.583%0.82770%0.702SS**SBendtrans-72.18.3-177-75.4165.8000114.5
184G64.8Low63.4Low62 Ų62102.9 Ų102.964%0.63972%0.724SS**  trans69.5115.4-17300000110.4G182G182-G184 PolarHBondContact O-N 3.15Å
185A66.9Low64Low92 Ų92100.4 Ų100.476%0.7670%0.702SS**  trans-59155.2171.900000110.2T187A185-T187 VanDerWaalsContact O-CG2 3.32Å; A185-T187 WeakPolarHBondContact O-CG2 3.29Å; A185-T187 PolarHBondContact O-N 2.78Å
186L61.4Low64.6Low165 Ų16599.5 Ų99.586%0.86470%0.702SS**  trans-53.396.8-178.3-54.7160.3000110.7G188L186-G188 PolarHBondContact O-N 3.32Å
187T67.7Low65.4Low146 Ų146101.2 Ų101.290%0.89670%0.702SS**  trans-77.837.3-17450.70000114.1A185A185-T187 VanDerWaalsContact O-CG2 3.32Å; A185-T187 WeakPolarHBondContact O-CG2 3.29Å; A185-T187 PolarHBondContact O-N 2.78Å
188G66Low66Low58 Ų5897.7 Ų97.760%0.59869%0.69SS**  trans80.182.2-178.400000111.7L186 G190L186-G188 PolarHBondContact O-N 3.32Å; G188-G190 VanDerWaalsContact C-N 3.29Å; G188-G190 PolarHBondContact O-N 2.85Å
189P66.1Low66.8Low58 Ų5897.5 Ų97.538%0.37769%0.688SS.*  trans-71.880.1-179.730.2-35.4000110.7L191 S193P189-L191 VanDerWaalsContact C-N 3.31Å; P189-L191 PolarHBondContact O-N 3.32Å; P189-S193 WeakPolarHBondContact O-CA 3.16Å; P189-S193 WeakPolarHBondContact O-CB 3.25Å; P189-S193 PolarHBondContact O-N 3.2Å; P189-S193 VanDerWaalsContact O-N 3.11Å
190G67.1Low67.5Low69 Ų69100.7 Ų100.771%0.71170%0.699SS**THydrogen-bonded Turntrans-57.2-39.8-174.500000114.2G188G188-G190 VanDerWaalsContact C-N 3.29Å; G188-G190 PolarHBondContact O-N 2.85Å
191L63.5Low68.2Low172 Ų17298.2 Ų98.290%0.90169%0.691SS**THydrogen-bonded Turntrans-103.2-14.6-169.5-77-84.6000113P189P189-L191 VanDerWaalsContact C-N 3.31Å; P189-L191 PolarHBondContact O-N 3.32Å
192A61.1Low68.7Low47 Ų4797.4 Ų97.439%0.38868%0.683SS.*THydrogen-bonded Turntrans-132.520.2-173.600000113.3L194 L195A192-L194 PolarHBondContact O-N 3.1Å; A192-L195 PolarHBondContact O-N 3.32Å
193S63.7Low69.2Low83 Ų8399.2 Ų99.258%0.5869%0.685SS**THydrogen-bonded Turntrans-52.7-32.1-172-152.10000115P189P189-S193 WeakPolarHBondContact O-CA 3.16Å; P189-S193 WeakPolarHBondContact O-CB 3.25Å; P189-S193 PolarHBondContact O-N 3.2Å; P189-S193 VanDerWaalsContact O-N 3.11Å
194L67.8Low69.6Low176 Ų17696.6 Ų96.692%0.92168%0.68SS**THydrogen-bonded Turntrans-125.91.2-177.1-67.4156.5000112.6A192 G196A192-L194 PolarHBondContact O-N 3.1Å; L194-G196 VanDerWaalsContact C-N 3.32Å; L194-G196 PolarHBondContact O-N 3.07Å
195L72.4Confident69.8Low100 Ų10098 Ų9852%0.52468%0.68SS.*THydrogen-bonded Turntrans-91.312.5-165.9-170.251.9000113.2A192 S197 S198A192-L195 PolarHBondContact O-N 3.32Å; L195-S197 PolarHBondContact O-N 2.66Å; L195-S198 WeakPolarHBondContact CD1-OG 3.18Å; L195-S198 WeakPolarHBondContact CG-OG 3.4Å; L195-S198 PolarHBondContact O-N 2.97Å; L195-S198 PolarHBondContact O-OG 2.9Å
196G73.3Confident70Confident70 Ų7098.9 Ų98.972%0.72268%0.68SS**THydrogen-bonded Turntrans56.325.7177.100000114L194 S198L194-G196 VanDerWaalsContact C-N 3.32Å; L194-G196 PolarHBondContact O-N 3.07Å; G196-S198 PolarHBondContact O-N 3.23Å
197S73.2Confident70.6Confident111 Ų11195.8 Ų95.878%0.77667%0.673SS**THydrogen-bonded Turntrans57.324.6-174.367.30000115.9L195 G199L195-S197 PolarHBondContact O-N 2.66Å; S197-G199 PolarHBondContact O-N 3.38Å
198S73.9Confident70.6Confident73 Ų7393.8 Ų93.851%0.5167%0.665SS.*PPolyproline II helixtrans-70.2132.1178.669.10000112L195 G196L195-S198 WeakPolarHBondContact CD1-OG 3.18Å; L195-S198 WeakPolarHBondContact CG-OG 3.4Å; L195-S198 PolarHBondContact O-N 2.97Å; L195-S198 PolarHBondContact O-OG 2.9Å; G196-S198 PolarHBondContact O-N 3.23Å
199G78.9Confident70.9Confident61 Ų6196 Ų9663%0.62967%0.671SS**PPolyproline II helixtrans-80.9164.9174.400000113.7S197S197-G199 PolarHBondContact O-N 3.38Å
200P78Confident70.9Confident123 Ų123103.9 Ų103.980%0.79969%0.693SS**PPolyproline II helixtrans-65.7158.4174.429-34.9000111.8G202P200-G202 PolarHBondContact O-N 2.91Å
201P75.6Confident71Confident95 Ų95105.8 Ų105.862%0.61770%0.696SS**PPolyproline II helixtrans-65.2132.8-179.526.7-34.5000111.9S203 S204P201-S203 PolarHBondContact O-N 2.74Å; P201-S204 PolarHBondContact O-OG 2.82Å
202G73.3Confident71.1Confident59 Ų59105.7 Ų105.761%0.60869%0.691SS**G310 helixtrans-74.71.9177.100000115P200 S204 S205P200-G202 PolarHBondContact O-N 2.91Å; G202-S204 PolarHBondContact O-N 3.17Å; G202-S205 PolarHBondContact O-N 3.01Å; G202-S205 PolarHBondContact O-OG 3.36Å
203S74.6Confident71.4Confident106 Ų106109.8 Ų109.874%0.74172%0.717SS**G310 helixtrans-72.4-14.3177.949.90000113.8P201P201-S203 PolarHBondContact O-N 2.74Å
204S72Confident71.3Confident103 Ų103110.4 Ų110.472%0.7273%0.726SS**G310 helixtrans-75.9-21.1175.754.80000113.4P201 G202 S206P201-S204 PolarHBondContact O-OG 2.82Å; G202-S204 PolarHBondContact O-N 3.17Å; S204-S206 PolarHBondContact O-N 3Å
205S70.1Confident70.5Confident91 Ų91106.5 Ų106.564%0.63672%0.719SS**  trans-91.588.5174.241.20000111.3G202 S207G202-S205 PolarHBondContact O-N 3.01Å; G202-S205 PolarHBondContact O-OG 3.36Å; S205-S207 VanDerWaalsContact C-N 3.35Å; S205-S207 PolarHBondContact O-N 2.8Å
206S69.8Low70.1Confident110 Ų110107.6 Ų107.677%0.76973%0.73SS**  trans-93.630.5-178.7550000114.1S204 S208S204-S206 PolarHBondContact O-N 3Å; S206-S208 PolarHBondContact O-N 2.88Å
207S74.9Confident69.3Low100 Ų100110.2 Ų110.270%0.69973%0.732SS**  trans-73.3102.5177.9-169.70000110.9S205 S209S205-S207 VanDerWaalsContact C-N 3.35Å; S205-S207 PolarHBondContact O-N 2.8Å; S207-S209 PolarHBondContact O-N 2.91Å
208S67.4Low68.7Low105 Ų105110.4 Ų110.473%0.73473%0.731SS**  trans-79.242.2-179490000113.2S206 R210S206-S208 PolarHBondContact O-N 2.88Å; S208-R210 VanDerWaalsContact C-N 3.31Å
209S72.8Confident67.5Low105 Ų105111.6 Ų111.673%0.73474%0.739SS**SBendtrans-71.5-24.9177.6-89.80000113.1S207S207-S209 PolarHBondContact O-N 2.91Å
210R66.4Low66.3Low223 Ų223114.6 Ų114.684%0.84275%0.75SS**  trans-146.4122.2177.5-68.8-172.8162175-5.9109.9S208S208-R210 VanDerWaalsContact C-N 3.31Å
211S67.7Low65.3Low108 Ų108115.1 Ų115.176%0.75575%0.752SS**  trans-12095.1174.1-620000108.7
212Q67.4Low64.4Low171 Ų171115.6 Ų115.680%0.79975%0.753SS**  trans-125.6121.6176.2-67.6-173.74.100109.7
213S66Low63.7Low133 Ų133117.9 Ų117.993%0.9376%0.759SS**  trans-146.862.8166.8-70.30000108.4
214A61.5Low62.9Low95 Ų95118.6 Ų118.679%0.78577%0.765SS**  trans140.9135.9154.500000111.4
215A52.5Low62.3Low94 Ų94119.9 Ų119.978%0.77777%0.768SS**  trans-125.999.5151.800000107.9
216V62.3Low61.3Low123 Ų123127 Ų12775%0.74578%0.781SS**  trans-128.6101.8154.9-68.30000107.9
217T56.1Low60.6Low125 Ų125126.2 Ų126.277%0.76778%0.781SS**  trans-127.5110.717953.40000109.5
218P61.5Low59.7Low115 Ų115126.8 Ų126.875%0.74778%0.781SS**SBendtrans-93.9-27.716226.9-20.1000112.1
219S48.5Very low59.5Low99 Ų99127.6 Ų127.669%0.69278%0.784SS**SBendtrans-173.5155.7171.6-81.60000109.8T221S219-T221 PolarHBondContact O-N 2.77Å
220S54.2Low58.8Low123 Ų123126.9 Ų126.986%0.8678%0.784SS**SBendtrans-65.973.4-165.9-48.60000115.6
221T57.3Low58.9Low134 Ų134121.8 Ų121.882%0.82278%0.78SS**  trans173.6107.1145.3270000107.3S219S219-T221 PolarHBondContact O-N 2.77Å
222T55.3Low58.8Low106 Ų106122.7 Ų122.765%0.6579%0.786SS**  trans-133.4109.8163.5116.20000108.5
223S60.3Low58.8Low106 Ų106118.7 Ų118.774%0.74178%0.783SS**  trans-143.298.8172.340.20000107.2
224S57.3Low58.5Low122 Ų122118.1 Ų118.185%0.85378%0.776SS**  trans-152.479.3160.1-80.20000109.2
225T58.5Low58.8Low129 Ų129119 Ų11979%0.79178%0.782SS**  trans-131.182.2154.944.80000107.9A227T225-A227 PolarHBondContact O-N 2.8Å
226R49Very low59.7Low240 Ų240117.9 Ų117.991%0.90677%0.774SS**  trans-82.794.9168.6-170170.8179.7-179.4-1.5108.6T228R226-T228 PolarHBondContact O-N 3.4Å
227A55.2Low60.1Low94 Ų94117.2 Ų117.278%0.77778%0.781SS**SBendtrans58.137.3158.900000118.7T225T225-A227 PolarHBondContact O-N 2.8Å
228T55.6Low60.9Low112 Ų112116.7 Ų116.769%0.68778%0.782SS**  trans-118.899.1165.3530000110.4R226 A230R226-T228 PolarHBondContact O-N 3.4Å; T228-A230 PolarHBondContact O-N 2.98Å
229P63.3Low61.6Low123 Ų123114.7 Ų114.780%0.79978%0.776SS**  trans-67.8121168.224.8-26.9000108.7P231P229-P231 WeakPolarHBondContact O-CD 3.24Å
230A58.5Low62.9Low89 Ų89117 Ų11774%0.73679%0.786SS**  trans-9698.2170.500000108.3T228 S232T228-A230 PolarHBondContact O-N 2.98Å; A230-S232 PolarHBondContact O-N 3.01Å
231P69.8Low63.6Low116 Ų116115.8 Ų115.875%0.75378%0.777SS**  trans-68.2115.7172.327.1-32000109P229 A233P229-P231 WeakPolarHBondContact O-CD 3.24Å; P231-A233 PolarHBondContact O-N 3.43Å
232S64.8Low64.4Low128 Ų128114.6 Ų114.690%0.89577%0.772SS**  trans-73.589.3174.3-56.80000110.4A230A230-S232 PolarHBondContact O-N 3.01Å
233A67.3Low64.6Low87 Ų87115.1 Ų115.172%0.71978%0.78SS**  trans-142.5140.7161.500000108.9P231P231-A233 PolarHBondContact O-N 3.43Å
234P60.3Low64.8Low121 Ų121115.5 Ų115.579%0.78678%0.78SS**  cis-108.414214.432.8-21.1000115
235A67.8Low65Low112 Ų112114.2 Ų114.293%0.92678%0.776SS**SBendtrans-86.1-15.5-178.800000114.7
236A70.5Confident64.7Low72 Ų72113.9 Ų113.960%0.59578%0.776SS**SBendtrans-153.5139.9173.300000109.9S238A236-S238 PolarHBondContact O-N 2.83Å
237A71.8Confident64.6Low108 Ų108106.6 Ų106.689%0.89376%0.762SS**  trans-76119168.400000108.3
238S72.1Confident64.4Low114 Ų114107 Ų10780%0.79776%0.759SS**  trans-130.5130.7174.1-64.40000108.8A236A236-S238 PolarHBondContact O-N 2.83Å
239A75.8Confident64Low74 Ų74103.1 Ų103.161%0.61274%0.741SS**  trans-95.8135.3172.900000109S241A239-S241 PolarHBondContact O-N 2.85Å
240T75.4Confident63.5Low147 Ų147104.8 Ų104.890%0.90274%0.744SS**SBendtrans-69.9-15.2175.450.60000112.6
241S69.9Low62.8Low97 Ų97102.8 Ų102.868%0.67873%0.731SS**SBendtrans-152.991176.3-57.70000109.5A239 S243A239-S241 PolarHBondContact O-N 2.85Å; S241-S243 PolarHBondContact O-N 3.4Å
242P73.2Confident61.6Low109 Ų109101.6 Ų101.671%0.70873%0.732SS**  trans-73.2114.5174.128.5-31000109.2P244P242-P244 WeakPolarHBondContact O-CD 3.21Å
243S60.5Low60.8Low118 Ų118100.7 Ų100.783%0.82573%0.725SS**  trans-100.8104.1167.4-173.80000108.3S241S241-S243 PolarHBondContact O-N 3.4Å
244P65.1Low59.9Low114 Ų114101.5 Ų101.574%0.7472%0.721SS**  trans-72.9130.4-178.226.6-31.5000112P242P242-P244 WeakPolarHBondContact O-CD 3.21Å
245A59.9Low59.2Low94 Ų9498.3 Ų98.378%0.77771%0.705SS**  trans-145.2131.7153.100000106.3
246P53.1Low58.1Low122 Ų12295.8 Ų95.879%0.79268%0.684SS**  cis-117.4132.526.735.9-21.1000114S248P246-S248 PolarHBondContact O-N 3.36Å
247S45.8Very low57.1Low88 Ų8896.2 Ų96.262%0.61568%0.683SS**  trans-82109.1173.8-57.60000110
248S52Low56.1Low102 Ų10297.3 Ų97.371%0.71368%0.681SS**  trans-116.395.6165.4-77.70000109.2P246P246-S248 PolarHBondContact O-N 3.36Å
249G47.8Very low55.1Low30 Ų3097 Ų9731%0.30967%0.674SS.*SBendtrans-96.8117151.400000106.9G251G249-G251 PolarHBondContact O-N 2.86Å
250N52.6Low53.8Low159 Ų159100.7 Ų100.785%0.8568%0.679SS**SBendtrans24.477.4175.4-68.967.4000116.2
251G44.3Very low52.6Low46 Ų4697 Ų9747%0.47466%0.657SS.*SBendtrans95136.6174.200000113.3G249 S253 T254G249-G251 PolarHBondContact O-N 2.86Å; G251-S253 PolarHBondContact O-N 3.32Å; G251-T254 PolarHBondContact O-N 2.85Å
252A42.9Very low51.7Low92 Ų9299 Ų9976%0.7666%0.659SS**THydrogen-bonded Turntrans-60.81.9-164.800000117.1
253S49.4Very low50.8Low108 Ų108100.5 Ų100.576%0.75566%0.657SS**THydrogen-bonded Turntrans-147.6-13.9-179.2-49.60000115.6G251G251-S253 PolarHBondContact O-N 3.32Å
254T48.2Very low50.9Low104 Ų10497.7 Ų97.764%0.63863%0.632SS**THydrogen-bonded Turntrans-85.4-19.2-165.5-35.60000113.5G251G251-T254 PolarHBondContact O-N 2.85Å
255A44.7Very low50.7Low54 Ų5495.1 Ų95.145%0.44662%0.617SS.*SBendtrans-141.821.1-17600000114.7S257A255-S257 VanDerWaalsContact C-N 3.34Å
256A46Very low50.7Low59 Ų5995.3 Ų95.349%0.48861%0.605SS.*SBendtrans-76.9-18.4-177.200000113.9
257S49Very low51.1Low81 Ų8192.3 Ų92.357%0.56658%0.582SS**SBendtrans-96.1144.9179.5-51.20000110.7A255 T259A255-S257 VanDerWaalsContact C-N 3.34Å; S257-T259 VanDerWaalsContact C-N 3.26Å; S257-T259 PolarHBondContact O-N 3.13Å
258P49.9Very low51.8Low132 Ų13292.3 Ų92.386%0.85757%0.572SS**  trans-69.783.317530.1-34.7000110.4Q260P258-Q260 VanDerWaalsContact C-N 3.3Å
259T51.1Low52.2Low106 Ų10689.7 Ų89.765%0.6555%0.554SS**  trans-90.915.7179.148.10000113S257 P261S257-T259 VanDerWaalsContact C-N 3.26Å; S257-T259 PolarHBondContact O-N 3.13Å; T259-P261 WeakPolarHBondContact O-CD 3.45Å
260Q48Very low52.8Low153 Ų15392.4 Ų92.472%0.71556%0.56SS**  trans-58.4109.8179.9-66.6-64.3-33.200110P258 I262P258-Q260 VanDerWaalsContact C-N 3.3Å; Q260-I262 VanDerWaalsContact C-N 3.33Å; Q260-I262 PolarHBondContact O-N 3.49Å
261P50.4Low53.1Low69 Ų6986.7 Ų86.745%0.44853%0.53SS..  trans-75.493.2177.531-29.5000106.6T259 Q263 L264 S265T259-P261 WeakPolarHBondContact O-CD 3.45Å; P261-Q263 VanDerWaalsContact C-N 3.27Å; P261-Q263 PolarHBondContact O-N 3.4Å; P261-L264 HydrophobicContact CB-CB 4.45Å; P261-S265 WeakPolarHBondContact CB-OG 2.96Å
262I52.3Low53.8Low140 Ų14085.3 Ų85.372%0.71851%0.513SS*.SBendtrans-6492176.9-63.6126000108.4Q260 L264Q260-I262 VanDerWaalsContact C-N 3.33Å; Q260-I262 PolarHBondContact O-N 3.49Å; I262-L264 WeakPolarHBondContact O-CG 3.19Å; I262-L264 PolarHBondContact O-N 2.91Å
263Q54.8Low54.3Low140 Ų14085.6 Ų85.665%0.65451%0.506SS*.SBendtrans51.25.1-176.6-56.5-169.7-80.900115.9P261 S265 D266 L267P261-Q263 VanDerWaalsContact C-N 3.27Å; P261-Q263 PolarHBondContact O-N 3.4Å; Q263-S265 VanDerWaalsContact C-N 3.26Å; Q263-S265 PolarHBondContact O-N 3.01Å; Q263-D266 PolarHBondContact O-N 2.91Å; Q263-L267 HydrophobicContact CB-CD1 4.33Å; Q263-L267 WeakPolarHBondContact O-CB 3.26Å; Q263-L267 WeakPolarHBondContact O-CG 3.39Å; Q263-L267 PolarHBondContact O-N 3.3Å
264L61.1Low54.2Low58 Ų5888 Ų8830%0.30451%0.507SS..Hα-helixtrans-66.6-29.4-174.5-62.8179.5000112.1P261 I262 Q268P261-L264 HydrophobicContact CB-CB 4.45Å; I262-L264 WeakPolarHBondContact O-CG 3.19Å; I262-L264 PolarHBondContact O-N 2.91Å; L264-Q268 VanDerWaalsContact O-CB 3.24Å; L264-Q268 WeakPolarHBondContact O-CB 3.46Å; L264-Q268 WeakPolarHBondContact O-CG 3.33Å; L264-Q268 PolarHBondContact O-N 2.77Å; L264-Q268 PolarHBondContact O-NE2 3.42Å
265S61.7Low54.2Low61 Ų6190.2 Ų90.243%0.42752%0.515SS..Hα-helixtrans-71.9-46.2179.1-48.60000111.4P261 Q263 L267 Q268 S269P261-S265 WeakPolarHBondContact CB-OG 2.96Å; Q263-S265 VanDerWaalsContact C-N 3.26Å; Q263-S265 PolarHBondContact O-N 3.01Å; S265-L267 VanDerWaalsContact C-N 3.35Å; S265-L267 PolarHBondContact O-N 3.15Å; S265-Q268 PolarHBondContact O-N 2.93Å; S265-S269 PolarHBondContact O-N 3.36Å
266D59.4Low54.3Low97 Ų9789.4 Ų89.452%0.51950%0.504SS..Hα-helixtrans-62.3-44.3176.1-17142.7000110.8Q263 Q268 S269 I270Q263-D266 PolarHBondContact O-N 2.91Å; D266-Q268 PolarHBondContact O-N 3.46Å; D266-S269 WeakPolarHBondContact O-CB 3.33Å; D266-S269 PolarHBondContact O-N 2.93Å; D266-I270 WeakPolarHBondContact O-CG1 2.89Å; D266-I270 PolarHBondContact O-N 3.23Å
267L61Low54.2Low59 Ų5990.2 Ų90.231%0.30951%0.505SS..Hα-helixtrans-67.8-33.3177.4-65.2173.4000113.5Q263 S265 L271Q263-L267 HydrophobicContact CB-CD1 4.33Å; Q263-L267 WeakPolarHBondContact O-CB 3.26Å; Q263-L267 WeakPolarHBondContact O-CG 3.39Å; Q263-L267 PolarHBondContact O-N 3.3Å; S265-L267 VanDerWaalsContact C-N 3.35Å; S265-L267 PolarHBondContact O-N 3.15Å; L267-L271 WeakPolarHBondContact O-CG 3.37Å; L267-L271 PolarHBondContact O-N 2.97Å
268Q61.5Low54.1Low88 Ų8888 Ų8841%0.41149%0.491SS..Hα-helixtrans-68.2-38.6172.4-82.1168.874.700111.3L264 S265 D266 I270 L271 A272L264-Q268 VanDerWaalsContact O-CB 3.24Å; L264-Q268 WeakPolarHBondContact O-CB 3.46Å; L264-Q268 WeakPolarHBondContact O-CG 3.33Å; L264-Q268 PolarHBondContact O-N 2.77Å; L264-Q268 PolarHBondContact O-NE2 3.42Å; S265-Q268 PolarHBondContact O-N 2.93Å; D266-Q268 PolarHBondContact O-N 3.46Å; Q268-I270 PolarHBondContact O-N 3.38Å; Q268-L271 PolarHBondContact O-N 2.79Å; Q268-A272 WeakPolarHBondContact O-CB 3.17Å; Q268-A272 PolarHBondContact O-N 3.44Å
269S60Low53.9Low47 Ų4783.9 Ų83.933%0.32947%0.473SS..Hα-helixtrans-63.4-39.5177.2-161.70000112.4S265 D266 A272 T273 P280S265-S269 PolarHBondContact O-N 3.36Å; D266-S269 WeakPolarHBondContact O-CB 3.33Å; D266-S269 PolarHBondContact O-N 2.93Å; S269-A272 WeakPolarHBondContact O-CB 3.41Å; S269-T273 PolarHBondContact O-N 3.45Å; S269-T273 PolarHBondContact O-OG1 3.49Å; S269-P280 PolarHBondContact OG-O 2.99Å
270I61.5Low53.4Low87 Ų8782.9 Ų82.945%0.44647%0.468SS..Hα-helixtrans-70.2-40.9177.4-62.2165.2000111.1D266 Q268 T273 M274D266-I270 WeakPolarHBondContact O-CG1 2.89Å; D266-I270 PolarHBondContact O-N 3.23Å; Q268-I270 PolarHBondContact O-N 3.38Å; I270-T273 PolarHBondContact O-N 2.86Å; I270-T273 VanDerWaalsContact O-N 3.14Å; I270-M274 PolarHBondContact O-N 3.29Å
271L57.4Low53.1Low40 Ų4080.4 Ų80.421%0.20947%0.474CS..Hα-helixtrans-63.5-43.7176.4-81.5166.9000113.8S102 L267 Q268 T273 M274 N275 V276S102-L271 VanDerWaalsContact CB-CD1 3.5Å; S102-L271 WeakPolarHBondContact O-CD1 3.19Å; S102-L271 WeakPolarHBondContact OG-CD2 3.36Å; S102-L271 WeakPolarHBondContact OG-CG 3.36Å; L267-L271 WeakPolarHBondContact O-CG 3.37Å; L267-L271 PolarHBondContact O-N 2.97Å; Q268-L271 PolarHBondContact O-N 2.79Å; L271-T273 PolarHBondContact O-N 3.39Å; L271-M274 PolarHBondContact O-N 3.45Å; L271-N275 PolarHBondContact O-N 3.3Å; L271-V276 HydrophobicContact CB-CG2 4.24Å; L271-V276 PolarHBondContact O-N 3.27Å; L271-V276 VanDerWaalsContact O-N 3.13Å
272A59.3Low52.8Low16 Ų1678.4 Ų78.413%0.13247%0.466CS..Hα-helixtrans-53.5-34.1172.300000111.7Q268 S269 A278Q268-A272 WeakPolarHBondContact O-CB 3.17Å; Q268-A272 PolarHBondContact O-N 3.44Å; S269-A272 WeakPolarHBondContact O-CB 3.41Å; A272-A278 CarbonylContact C-O 3.58Å; A272-A278 WeakPolarHBondContact CA-O 3.45Å; A272-A278 HydrophobicContact CB-CB 4.29Å; A272-A278 WeakPolarHBondContact CB-O 3.45Å; A272-A278 VanDerWaalsContact O-O 3.07Å
273T54.3Low52.3Low98 Ų9874.9 Ų74.960%0.60146%0.464SS*.Hα-helixtrans-83.1-31.6-178-530000113.1S269 I270 L271S269-T273 PolarHBondContact O-N 3.45Å; S269-T273 PolarHBondContact O-OG1 3.49Å; I270-T273 PolarHBondContact O-N 2.86Å; I270-T273 VanDerWaalsContact O-N 3.14Å; L271-T273 PolarHBondContact O-N 3.39Å
274M46.2Very low51.6Low159 Ų15975.9 Ų75.978%0.78347%0.469SS*.Hα-helixtrans-100.5-33.9-170.8-79.1-133.581.300116.7I270 L271I270-M274 PolarHBondContact O-N 3.29Å; L271-M274 PolarHBondContact O-N 3.45Å
275N47.9Very low50.9Low150 Ų15077.7 Ų77.780%0.80248%0.476SS*.THydrogen-bonded Turntrans-156.5-5-171.8-169.782.1000115.2L271L271-N275 PolarHBondContact O-N 3.3Å
276V47Very low50.3Low37 Ų3777.9 Ų77.922%0.22447%0.474CS..SBendtrans-109.9129178.5-174.80000107.9L33 L271 A278L33-V276 HydrophobicContact CD2-CG1 4.33Å; L271-V276 HydrophobicContact CB-CG2 4.24Å; L271-V276 PolarHBondContact O-N 3.27Å; L271-V276 VanDerWaalsContact O-N 3.13Å; V276-A278 HydrophobicContact CG1-CB 4.05Å; V276-A278 PolarHBondContact O-N 3.06Å
277P44.4Very low49.8Very low76 Ų7678.3 Ų78.349%0.49448%0.477SS..SBendtrans-73.847.717631.9-35.1000112.1Q338P277-Q338 PolarHBondContact O-NE2 3.14Å
278A46.4Very low49.5Very low34 Ų3476 Ų7628%0.28146%0.464SS..SBendtrans-109128.8167.400000106.4A272 V276A272-A278 CarbonylContact C-O 3.58Å; A272-A278 WeakPolarHBondContact CA-O 3.45Å; A272-A278 HydrophobicContact CB-CB 4.29Å; A272-A278 WeakPolarHBondContact CB-O 3.45Å; A272-A278 VanDerWaalsContact O-O 3.07Å; V276-A278 HydrophobicContact CG1-CB 4.05Å; V276-A278 PolarHBondContact O-N 3.06Å
279G45.5Very low49.2Very low47 Ų4773.4 Ų73.449%0.48546%0.458SS..  trans-66.2149.7179.300000112A281 G282G279-A281 PolarHBondContact O-N 3.37Å; G279-G282 PolarHBondContact O-N 2.99Å
280P40.7Very low49Very low84 Ų8475.2 Ų75.255%0.54547%0.471SS..THydrogen-bonded Turntrans-64.9-5.4-176.924.1-33000114.9S269S269-P280 PolarHBondContact OG-O 2.99Å
281A42.4Very low48.9Very low101 Ų10172.6 Ų72.684%0.83546%0.459SS*.THydrogen-bonded Turntrans-100.412.5-178.200000114.8G279G279-A281 PolarHBondContact O-N 3.37Å
282G44.3Very low49Very low27 Ų2770.9 Ų70.928%0.27845%0.45SS..  trans-10413-15900000119.2G279 Q284 Q285G279-G282 PolarHBondContact O-N 2.99Å; G282-Q284 PolarHBondContact O-N 3.32Å; G282-Q285 PolarHBondContact O-N 3.06Å; G282-Q285 VanDerWaalsContact O-N 3.14Å
283G41.5Very low48.9Very low66 Ų6673 Ų7368%0.6846%0.461SS*.THydrogen-bonded Turntrans-64.4-20.9-176.900000115.1
284Q40.4Very low48.9Very low161 Ų16170.7 Ų70.775%0.75245%0.448SS*.THydrogen-bonded Turntrans-11528.2176.5-160.6109.5-12.900111.4G282 V286G282-Q284 PolarHBondContact O-N 3.32Å; Q284-V286 PolarHBondContact O-N 3.36Å
285Q47.1Very low49.4Very low97 Ų9769.2 Ų69.245%0.45344%0.439SS..  trans-76.587.1160.5-70.1-173.3-12.800106G282 G341G282-Q285 PolarHBondContact O-N 3.06Å; G282-Q285 VanDerWaalsContact O-N 3.14Å; Q285-G341 VanDerWaalsContact CD-CA 3.47Å; Q285-G341 PolarHBondContact NE2-O 3.42Å
286V48.1Very low49.9Very low65 Ų6564.2 Ų64.239%0.39441%0.412SS..  trans-42.4143.3164176.50000107.2Q284 L288Q284-V286 PolarHBondContact O-N 3.36Å; V286-L288 HydrophobicContact CB-CD1 4Å; V286-L288 HydrophobicContact CB-CD2 4.45Å; V286-L288 HydrophobicContact CB-CG 3.81Å; V286-L288 HydrophobicContact CG1-CD2 4.33Å; V286-L288 HydrophobicContact CG1-CG 4Å; V286-L288 WeakPolarHBondContact O-CG 3.22Å; V286-L288 PolarHBondContact O-N 2.77Å
287D49.9Very low50.5Low106 Ų10662.5 Ų62.557%0.56740%0.401SS*.SBendtrans-65.956.3176.7-172.622.1000111.3A289 S290 V291D287-A289 PolarHBondContact O-N 2.71Å; D287-S290 PolarHBondContact O-N 2.67Å; D287-S290 VanDerWaalsContact O-N 3.16Å; D287-S290 WeakPolarHBondContact OD2-CB 3.37Å; D287-V291 WeakPolarHBondContact O-CG2 3.11Å; D287-V291 PolarHBondContact O-N 3.38Å
288L54.5Low51.1Low9 Ų959.8 Ų59.85%0.04739%0.385CS..Hα-helixtrans-67.2-22.9-179-70.6153.3000109.5V286 S290 V291 L292 L340 V374 A378V286-L288 HydrophobicContact CB-CD1 4Å; V286-L288 HydrophobicContact CB-CD2 4.45Å; V286-L288 HydrophobicContact CB-CG 3.81Å; V286-L288 HydrophobicContact CG1-CD2 4.33Å; V286-L288 HydrophobicContact CG1-CG 4Å; V286-L288 WeakPolarHBondContact O-CG 3.22Å; V286-L288 PolarHBondContact O-N 2.77Å; L288-S290 VanDerWaalsContact C-N 3.27Å; L288-S290 PolarHBondContact O-N 3.02Å; L288-V291 PolarHBondContact O-N 3.28Å; L288-L292 HydrophobicContact CB-CD1 4.08Å; L288-L292 HydrophobicContact CD2-CD1 3.53Å; L288-L292 HydrophobicContact CG-CD1 4.43Å; L288-L292 WeakPolarHBondContact O-CB 3.39Å; L288-L292 PolarHBondContact O-N 2.91Å; L288-L340 HydrophobicContact CB-CD2 3.69Å; L288-L340 HydrophobicContact CB-CG 4.36Å; L288-V374 HydrophobicContact CD1-CG1 4.03Å; L288-V374 HydrophobicContact CD2-CG1 4.24Å; L288-A378 HydrophobicContact CD2-CB 3.49Å; L288-A378 VanDerWaalsContact CD2-CB 3.49Å
289A54.8Low51.7Low35 Ų3561.7 Ų61.729%0.28940%0.395SS..Hα-helixtrans-68.1-30.317500000111.5D287 Q337 L340D287-A289 PolarHBondContact O-N 2.71Å; A289-Q337 HydrophobicContact CB-CG 4.27Å; A289-L340 HydrophobicContact CB-CD2 3.78Å
290S54.9Low52.5Low85 Ų8559.6 Ų59.659%0.59437%0.373SS*.Hα-helixtrans-83.7-21.8172.6-172.50000113.1D287 L288D287-S290 PolarHBondContact O-N 2.67Å; D287-S290 VanDerWaalsContact O-N 3.16Å; D287-S290 WeakPolarHBondContact OD2-CB 3.37Å; L288-S290 VanDerWaalsContact C-N 3.27Å; L288-S290 PolarHBondContact O-N 3.02Å
291V59.6Low53.4Low32 Ų3256.7 Ų56.719%0.19435%0.353CS..Hα-helixtrans-98.5-40.7-173.2178.70000112.7D287 L288 T293 A378 Q382D287-V291 WeakPolarHBondContact O-CG2 3.11Å; D287-V291 PolarHBondContact O-N 3.38Å; L288-V291 PolarHBondContact O-N 3.28Å; V291-T293 PolarHBondContact O-N 2.69Å; V291-A378 HydrophobicContact CG1-CB 4.48Å; V291-Q382 HydrophobicContact CG1-CB 3.84Å; V291-Q382 HydrophobicContact CG1-CG 4.2Å
292L59.3Low54.3Low3 Ų354.5 Ų54.52%0.01634%0.335CS..SBendtrans-90.496.6174.2-78.383.3000108.6L288 M297 F377 A378L288-L292 HydrophobicContact CB-CD1 4.08Å; L288-L292 HydrophobicContact CD2-CD1 3.53Å; L288-L292 HydrophobicContact CG-CD1 4.43Å; L288-L292 WeakPolarHBondContact O-CB 3.39Å; L288-L292 PolarHBondContact O-N 2.91Å; L292-M297 HydrophobicContact CB-CG 4.16Å; L292-M297 HydrophobicContact CD2-CE 3.96Å; L292-M297 HydrophobicContact CD2-CG 4.25Å; L292-M297 HydrophobicContact CD2-SD 3.75Å; L292-F377 HydrophobicContact CD2-CE1 3.95Å; L292-A378 HydrophobicContact CD1-CB 4.39Å
293T57.1Low55.2Low61 Ų6155.4 Ų55.437%0.37433%0.333SS..  trans-63.9148.8-178.651.60000111.8V291 E295 I296V291-T293 PolarHBondContact O-N 2.69Å; T293-E295 PolarHBondContact O-N 3.33Å; T293-I296 PolarHBondContact O-N 2.89Å; T293-I296 WeakPolarHBondContact OG1-CD1 3.37Å; T293-I296 WeakPolarHBondContact OG1-CG1 3.24Å
294P54Low56.2Low49 Ų4955.4 Ų55.432%0.31833%0.326SS..Hα-helixtrans-56.9-32.7-175.521.8-36.5000114.7I296 M297 A298 L331P294-I296 PolarHBondContact O-N 2.94Å; P294-M297 PolarHBondContact O-N 2.87Å; P294-A298 WeakPolarHBondContact O-CB 3.43Å; P294-A298 PolarHBondContact O-N 3.43Å; P294-L331 HydrophobicContact CB-CD1 3.09Å; P294-L331 HydrophobicContact CB-CD2 3.81Å; P294-L331 HydrophobicContact CB-CG 4.06Å; P294-L331 HydrophobicContact CG-CD1 4.19Å
295E56.7Low57.1Low128 Ų12852.4 Ų52.460%0.59832%0.316SS*.Hα-helixtrans-61.6-29.9177.9-64.3-61.212600112.6T293 Q328T293-E295 PolarHBondContact O-N 3.33Å; E295-Q328 PolarHBondContact OE1-NE2 3.01Å
296I60.2Low57.8Low45 Ų4547.9 Ų47.923%0.23129%0.294CS..Hα-helixtrans-88.5-27.6-176.8-48.4163.7000111.4T293 P294 L361 M381 A385T293-I296 PolarHBondContact O-N 2.89Å; T293-I296 WeakPolarHBondContact OG1-CD1 3.37Å; T293-I296 WeakPolarHBondContact OG1-CG1 3.24Å; P294-I296 PolarHBondContact O-N 2.94Å; I296-L361 HydrophobicContact CG2-CD2 4.5Å; I296-M381 HydrophobicContact CB-CE 4.28Å; I296-M381 HydrophobicContact CD1-CE 4.05Å; I296-M381 HydrophobicContact CG2-CE 3.28Å; I296-A385 HydrophobicContact CD1-CB 4.5Å
297M58.1Low58.3Low1 Ų146.3 Ų46.31%0.00528%0.283CS..Hα-helixtrans-93-21.8-176.6-70.7-68.594.400114L292 P294 I300 L301 F343L292-M297 HydrophobicContact CB-CG 4.16Å; L292-M297 HydrophobicContact CD2-CE 3.96Å; L292-M297 HydrophobicContact CD2-CG 4.25Å; L292-M297 HydrophobicContact CD2-SD 3.75Å; P294-M297 PolarHBondContact O-N 2.87Å; M297-I300 HydrophobicContact CE-CB 4.23Å; M297-I300 HydrophobicContact CE-CD1 4Å; M297-I300 HydrophobicContact CE-CG1 4.04Å; M297-I300 PolarHBondContact O-N 3.3Å; M297-I300 VanDerWaalsContact O-N 3.13Å; M297-L301 HydrophobicContact CB-CD1 4.26Å; M297-L301 PolarHBondContact O-N 3.18Å; M297-F343 HydrophobicContact SD-CE1 4.3Å; M297-F343 HydrophobicContact SD-CZ 4.26Å
298A58.8Low59Low19 Ų1948 Ų4816%0.15729%0.287CS..Hα-helixtrans-52.1-47.5175.400000113.9P294 I300 A302P294-A298 WeakPolarHBondContact O-CB 3.43Å; P294-A298 PolarHBondContact O-N 3.43Å; A298-I300 PolarHBondContact O-N 2.94Å; A298-A302 VanDerWaalsContact O-CB 3.31Å; A298-A302 WeakPolarHBondContact O-CB 3.21Å; A298-A302 PolarHBondContact O-N 2.97Å
299P58.5Low59.3Low74 Ų7455.2 Ų55.248%0.48131%0.314SS..Hα-helixtrans-72.8-25.9177.727.6-34.8000113.7
300I61.7Low59.5Low3 Ų354 Ų542%0.01530%0.303CS..Hα-helixtrans-77.6-41.6-178.9-62.7-136.1000111.2M297 A298 A302 N303 F343 F359 L361M297-I300 HydrophobicContact CE-CB 4.23Å; M297-I300 HydrophobicContact CE-CD1 4Å; M297-I300 HydrophobicContact CE-CG1 4.04Å; M297-I300 PolarHBondContact O-N 3.3Å; M297-I300 VanDerWaalsContact O-N 3.13Å; A298-I300 PolarHBondContact O-N 2.94Å; I300-A302 VanDerWaalsContact C-N 3.33Å; I300-N303 PolarHBondContact O-N 3.5Å; I300-F343 HydrophobicContact CG2-CE2 3.73Å; I300-F343 HydrophobicContact CG2-CZ 4.22Å; I300-F359 HydrophobicContact CB-CZ 4.49Å; I300-F359 HydrophobicContact CD1-CB 4.21Å; I300-F359 HydrophobicContact CD1-CD1 4.36Å; I300-F359 HydrophobicContact CD1-CD2 3.68Å; I300-F359 HydrophobicContact CD1-CE2 4.15Å; I300-F359 HydrophobicContact CD1-CG 3.84Å; I300-F359 HydrophobicContact CG1-CD1 4.16Å; I300-F359 HydrophobicContact CG1-CD2 4.19Å; I300-F359 HydrophobicContact CG1-CE1 4.24Å; I300-F359 HydrophobicContact CG1-CE2 4.31Å; I300-F359 HydrophobicContact CG1-CG 4.15Å; I300-F359 HydrophobicContact CG1-CZ 4.33Å; I300-F359 HydrophobicContact CG2-CE2 4.42Å; I300-L361 HydrophobicContact CD1-CD1 3.98Å
301L59.9Low59.6Low24 Ų2454.6 Ų54.613%0.12630%0.299CS..Hα-helixtrans-78-18.1178.7-66.5170.5000113M297 N303 Q307 F336M297-L301 HydrophobicContact CB-CD1 4.26Å; M297-L301 PolarHBondContact O-N 3.18Å; L301-N303 PolarHBondContact O-N 2.83Å; L301-Q307 PolarHBondContact O-NE2 3.06Å; L301-F336 HydrophobicContact CD1-CD2 4.29Å; L301-F336 HydrophobicContact CD1-CE2 3.44Å; L301-F336 VanDerWaalsContact CD1-CE2 3.44Å; L301-F336 HydrophobicContact CD1-CZ 4.17Å
302A61.6Low59.8Low55 Ų5557.5 Ų57.546%0.45532%0.318SS..THydrogen-bonded Turntrans-75-9.5172.800000113.7A298 I300A298-A302 VanDerWaalsContact O-CB 3.31Å; A298-A302 WeakPolarHBondContact O-CB 3.21Å; A298-A302 PolarHBondContact O-N 2.97Å; I300-A302 VanDerWaalsContact C-N 3.33Å
303N63Low59.4Low46 Ų4665.7 Ų65.725%0.24635%0.35CS..  trans-83.3128.6-176.8-172.5-61.6000112I300 L301 D305 V306 Q307 F359I300-N303 PolarHBondContact O-N 3.5Å; L301-N303 PolarHBondContact O-N 2.83Å; N303-D305 VanDerWaalsContact C-N 3.29Å; N303-D305 PolarHBondContact O-N 2.98Å; N303-D305 VanDerWaalsContact OD1-CB 3.31Å; N303-D305 WeakPolarHBondContact OD1-CB 3.38Å; N303-D305 PolarHBondContact OD1-N 3.37Å; N303-D305 PolarHBondContact OD1-OD2 3.49Å; N303-V306 HydrophobicContact CB-CG2 4.29Å; N303-V306 PolarHBondContact O-N 3.19Å; N303-Q307 WeakPolarHBondContact O-CG 2.95Å; N303-Q307 PolarHBondContact O-N 2.94Å; N303-Q307 VanDerWaalsContact O-N 3.12Å; N303-F359 HydrophobicContact CB-CZ 3.85Å
304A61.7Low59.2Low65 Ų6564.1 Ų64.154%0.53734%0.339SS..Hα-helixtrans-60.8-32.2-177.300000113.5Q307 E308A304-Q307 PolarHBondContact O-N 2.81Å; A304-E308 WeakPolarHBondContact O-CB 3.31Å; A304-E308 WeakPolarHBondContact O-CG 3.47Å; A304-E308 PolarHBondContact O-N 2.88Å
305D60.4Low58.7Low99 Ų9966.2 Ų66.253%0.52935%0.352SS..Hα-helixtrans-71-35.1179.4-61-72.2000112.2N303 R309 L355N303-D305 VanDerWaalsContact C-N 3.29Å; N303-D305 PolarHBondContact O-N 2.98Å; N303-D305 VanDerWaalsContact OD1-CB 3.31Å; N303-D305 WeakPolarHBondContact OD1-CB 3.38Å; N303-D305 PolarHBondContact OD1-N 3.37Å; N303-D305 PolarHBondContact OD1-OD2 3.49Å; D305-R309 WeakPolarHBondContact O-CG 3.42Å; D305-R309 PolarHBondContact O-N 2.95Å; D305-L355 HydrophobicContact CB-CD2 4.48Å
306V61.9Low57.6Low1 Ų166.5 Ų66.51%0.00637%0.369CS..Hα-helixtrans-69.2-45.3173.9176.10000109.1N303 R309 L310 L355N303-V306 HydrophobicContact CB-CG2 4.29Å; N303-V306 PolarHBondContact O-N 3.19Å; V306-R309 PolarHBondContact O-N 3.24Å; V306-L310 HydrophobicContact CG1-CD1 3.72Å; V306-L310 WeakPolarHBondContact O-CD1 3.21Å; V306-L310 PolarHBondContact O-N 2.96Å; V306-L355 HydrophobicContact CG2-CD1 3.97Å
307Q58.5Low56.7Low33 Ų3368.1 Ų68.115%0.15440%0.397CS..Hα-helixtrans-62.4-43.8177.3-63.7-178.13.100112.4L301 N303 A304 R309 L310 L311 L320L301-Q307 PolarHBondContact O-NE2 3.06Å; N303-Q307 WeakPolarHBondContact O-CG 2.95Å; N303-Q307 PolarHBondContact O-N 2.94Å; N303-Q307 VanDerWaalsContact O-N 3.12Å; A304-Q307 PolarHBondContact O-N 2.81Å; Q307-R309 VanDerWaalsContact C-N 3.27Å; Q307-R309 PolarHBondContact O-N 2.76Å; Q307-L310 PolarHBondContact O-N 3.49Å; Q307-L310 VanDerWaalsContact O-N 3.1Å; Q307-L311 WeakPolarHBondContact O-CB 3.42Å; Q307-L311 WeakPolarHBondContact O-CG 3.18Å; Q307-L311 PolarHBondContact O-N 2.79Å; Q307-L320 HydrophobicContact CB-CD1 3.9Å; Q307-L320 HydrophobicContact CG-CD1 3.81Å
308E64.4Low56.1Low141 Ų14172.2 Ų72.266%0.65942%0.416SS*.Hα-helixtrans-59.9-33.8175.9-80.8-119.7138.300113.3A304 P312A304-E308 WeakPolarHBondContact O-CB 3.31Å; A304-E308 WeakPolarHBondContact O-CG 3.47Å; A304-E308 PolarHBondContact O-N 2.88Å; E308-P312 WeakPolarHBondContact O-CD 3.36Å
309R60.2Low55.6Low161 Ų16176.5 Ų76.561%0.60844%0.444SS*.Hα-helixtrans-82.1-23.2175.7-71.3-65.5-177.9105.51.5113.4D305 V306 Q307 Y313D305-R309 WeakPolarHBondContact O-CG 3.42Å; D305-R309 PolarHBondContact O-N 2.95Å; V306-R309 PolarHBondContact O-N 3.24Å; Q307-R309 VanDerWaalsContact C-N 3.27Å; Q307-R309 PolarHBondContact O-N 2.76Å; R309-Y313 VanDerWaalsContact O-CD2 3.31Å; R309-Y313 WeakPolarHBondContact O-CD2 3.44Å
310L58.9Low55.3Low10 Ų1075 Ų755%0.05243%0.432CS..Hα-helixtrans-79.8-33.6172.2-9078.3000112.2V306 Q307 Y313 L314 L320V306-L310 HydrophobicContact CG1-CD1 3.72Å; V306-L310 WeakPolarHBondContact O-CD1 3.21Å; V306-L310 PolarHBondContact O-N 2.96Å; Q307-L310 PolarHBondContact O-N 3.49Å; Q307-L310 VanDerWaalsContact O-N 3.1Å; L310-Y313 PolarHBondContact O-N 2.94Å; L310-L314 PolarHBondContact O-N 2.8Å; L310-L320 HydrophobicContact CB-CD1 4.35Å
311L57.5Low54.8Low97 Ų9777 Ų7751%0.50845%0.446SS..G310 helixtrans-52.7-45.2-178.9-81.3166.5000116.2Q307 Y313 L314Q307-L311 WeakPolarHBondContact O-CB 3.42Å; Q307-L311 WeakPolarHBondContact O-CG 3.18Å; Q307-L311 PolarHBondContact O-N 2.79Å; L311-Y313 VanDerWaalsContact C-N 3.28Å; L311-Y313 PolarHBondContact O-N 2.91Å; L311-L314 HydrophobicContact CD2-CD1 4.33Å; L311-L314 PolarHBondContact O-N 3.41Å
312P62.9Low54Low92 Ų9283.1 Ų83.160%0.59747%0.474SS*.G310 helixtrans-75.7-13.5-178.827.2-34.5000114.1E308E308-P312 WeakPolarHBondContact O-CD 3.36Å
313Y51.4Low53.4Low175 Ų17583.5 Ų83.569%0.68647%0.47SS*.G310 helixtrans-103.62.7178.8-63.3-77.7000112.8R309 L310 L311R309-Y313 VanDerWaalsContact O-CD2 3.31Å; R309-Y313 WeakPolarHBondContact O-CD2 3.44Å; L310-Y313 PolarHBondContact O-N 2.94Å; L311-Y313 VanDerWaalsContact C-N 3.28Å; L311-Y313 PolarHBondContact O-N 2.91Å
314L53.3Low52.6Low28 Ų2884 Ų8415%0.14748%0.481CS..SBendtrans-78.8132.7174.4-82.3167.6000110.8L310 L311 S316 E318 M342L310-L314 PolarHBondContact O-N 2.8Å; L311-L314 HydrophobicContact CD2-CD1 4.33Å; L311-L314 PolarHBondContact O-N 3.41Å; L314-S316 PolarHBondContact O-N 3.22Å; L314-E318 HydrophobicContact CD2-CB 4.4Å; L314-M342 HydrophobicContact CD2-CE 3.82Å; L314-M342 HydrophobicContact CD2-SD 4.5Å
315P43.2Very low52Low93 Ų9388.2 Ų88.260%0.60449%0.489SS*.  trans-60.8133.8165.125.9-31000109G317P315-G317 PolarHBondContact O-N 3.04Å
316S33.1Very low51.8Low135 Ų13588.3 Ų88.394%0.94449%0.487SS*.THydrogen-bonded Turntrans-55.5102.2-168.7-48.90000112.6L314L314-S316 PolarHBondContact O-N 3.22Å
317G40.9Very low51.4Low79 Ų7988.6 Ų88.681%0.81449%0.488SS*.THydrogen-bonded Turntrans160.8-10.2174.100000118P315P315-G317 PolarHBondContact O-N 3.04Å
318E46.2Very low50.9Low86 Ų8692 Ų9240%0.40250%0.504SS..  trans-116.5123.8-165.6-154.8130.8146.800113.6L314 Q335L314-E318 HydrophobicContact CD2-CB 4.4Å; E318-Q335 WeakPolarHBondContact OE1-CG 3.23Å
319S49.4Very low50.1Low109 Ų10991.9 Ų91.976%0.76251%0.508SS*.PPolyproline II helixtrans-96.8128.8172.454.10000110.6
320L51.5Low49.9Very low42 Ų4286 Ų8622%0.2249%0.49CS..PPolyproline II helixtrans-68.3138.3176.7-65.8163.4000110.8Q307 L310Q307-L320 HydrophobicContact CB-CD1 3.9Å; Q307-L320 HydrophobicContact CG-CD1 3.81Å; L310-L320 HydrophobicContact CB-CD1 4.35Å
321P51.1Low49.3Very low47 Ų4787.4 Ų87.431%0.30550%0.497SS..PPolyproline II helixtrans-67.3135.4172.526.1-31.1000110.5E326 I327P321-E326 HydrophobicContact CB-CB 4.1Å; P321-I327 HydrophobicContact CB-CG1 4.49Å; P321-I327 HydrophobicContact CG-CG1 4.21Å
322Q43.8Very low48.9Very low152 Ų15289 Ų8971%0.7151%0.511SS*.  trans-97.6-6.8-169.5-67.6-176.6-15.100113.8
323T47.9Very low48.6Very low62 Ų6286 Ų8638%0.3849%0.492SS..SBendtrans-124.8143.8-17369.70000113.1E325 E326 I327T323-E325 PolarHBondContact O-N 3.04Å; T323-E326 PolarHBondContact O-N 2.81Å; T323-E326 WeakPolarHBondContact OG1-CB 3.2Å; T323-E326 WeakPolarHBondContact OG1-CG 3.47Å; T323-E326 PolarHBondContact OG1-N 3.19Å; T323-E326 PolarHBondContact OG1-OE2 3.32Å; T323-I327 VanDerWaalsContact O-CG1 3.26Å; T323-I327 WeakPolarHBondContact O-CG1 3.34Å; T323-I327 PolarHBondContact O-N 3.2Å
324A45.7Very low48.7Very low57 Ų5779.6 Ų79.647%0.47147%0.472SS..Hα-helixtrans-58.6-29.1-178.100000113.7Q328A324-Q328 PolarHBondContact O-N 3.32Å; A324-Q328 VanDerWaalsContact O-N 3.13Å
325E50Low48.8Very low153 Ų15383 Ų8372%0.71549%0.487SS*.Hα-helixtrans-81.2-33.1-179.7-64.9169.3168.200112.4T323 N329T323-E325 PolarHBondContact O-N 3.04Å; E325-N329 PolarHBondContact O-N 3.22Å; E325-N329 PolarHBondContact O-ND2 3.42Å; E325-N329 VanDerWaalsContact O-ND2 3.1Å
326E55.2Low49.5Very low102 Ų10279.4 Ų79.448%0.47746%0.462SS..Hα-helixtrans-72.4-35.1170.5-71.8170.4149.100111.1P321 T323 N329 T330P321-E326 HydrophobicContact CB-CB 4.1Å; T323-E326 PolarHBondContact O-N 2.81Å; T323-E326 WeakPolarHBondContact OG1-CB 3.2Å; T323-E326 WeakPolarHBondContact OG1-CG 3.47Å; T323-E326 PolarHBondContact OG1-N 3.19Å; T323-E326 PolarHBondContact OG1-OE2 3.32Å; E326-N329 PolarHBondContact O-N 3.3Å; E326-T330 WeakPolarHBondContact O-CB 3.5Å; E326-T330 PolarHBondContact O-N 3.03Å; E326-T330 PolarHBondContact O-OG1 3.23Å
327I54.3Low50.9Low6 Ų674.9 Ų74.93%0.03143%0.426CS..Hα-helixtrans-59.2-49.7171.5-66.6163.6000108.8P321 T323 N329 T330 L331 F336P321-I327 HydrophobicContact CB-CG1 4.49Å; P321-I327 HydrophobicContact CG-CG1 4.21Å; T323-I327 VanDerWaalsContact O-CG1 3.26Å; T323-I327 WeakPolarHBondContact O-CG1 3.34Å; T323-I327 PolarHBondContact O-N 3.2Å; I327-N329 PolarHBondContact O-N 2.86Å; I327-T330 CarbonylContact O-C 3.58Å; I327-T330 PolarHBondContact O-N 2.75Å; I327-T330 VanDerWaalsContact O-N 3.1Å; I327-L331 VanDerWaalsContact C-CD1 3.5Å; I327-L331 HydrophobicContact CG2-CD1 3.71Å; I327-L331 HydrophobicContact CG2-CG 4.06Å; I327-L331 WeakPolarHBondContact O-CB 3.43Å; I327-L331 WeakPolarHBondContact O-CD1 3.5Å; I327-L331 WeakPolarHBondContact O-CG 3.12Å; I327-L331 PolarHBondContact O-N 3.07Å; I327-F336 HydrophobicContact CG2-CE2 4.45Å
328Q47.4Very low51.8Low106 Ų10674.5 Ų74.550%0.49540%0.403SS..Hα-helixtrans-55.9-40.5177.1-83.3-173.1-1.500114.8E295 A324 L331E295-Q328 PolarHBondContact OE1-NE2 3.01Å; A324-Q328 PolarHBondContact O-N 3.32Å; A324-Q328 VanDerWaalsContact O-N 3.13Å; Q328-L331 VanDerWaalsContact CA-CD1 3.46Å; Q328-L331 HydrophobicContact CB-CD1 4.47Å; Q328-L331 HydrophobicContact CG-CD1 4.26Å
329N48.7Very low52.4Low138 Ų13870.9 Ų70.974%0.73839%0.388SS*.Hα-helixtrans-79.1-27.1177.1-73-63.3000113.2E325 E326 I327E325-N329 PolarHBondContact O-N 3.22Å; E325-N329 PolarHBondContact O-ND2 3.42Å; E325-N329 VanDerWaalsContact O-ND2 3.1Å; E326-N329 PolarHBondContact O-N 3.3Å; I327-N329 PolarHBondContact O-N 2.86Å
330T55.5Low53.1Low37 Ų3766.1 Ų66.123%0.22735%0.354CS..Hα-helixtrans-86.2-9.9177.3-50.40000112.5E326 I327 T332 S333E326-T330 WeakPolarHBondContact O-CB 3.5Å; E326-T330 PolarHBondContact O-N 3.03Å; E326-T330 PolarHBondContact O-OG1 3.23Å; I327-T330 CarbonylContact O-C 3.58Å; I327-T330 PolarHBondContact O-N 2.75Å; I327-T330 VanDerWaalsContact O-N 3.1Å; T330-T332 PolarHBondContact O-N 3.42Å; T330-S333 VanDerWaalsContact O-CA 3.31Å; T330-S333 WeakPolarHBondContact O-CA 3.04Å; T330-S333 WeakPolarHBondContact O-CB 3.45Å; T330-S333 PolarHBondContact O-N 2.94Å
331L46.3Very low53.7Low39 Ų3964.4 Ų64.420%0.20435%0.347CS..THydrogen-bonded Turntrans-67.9-15.4178.3-86.2155.7000114.4P294 I327 Q328 F336P294-L331 HydrophobicContact CB-CD1 3.09Å; P294-L331 HydrophobicContact CB-CD2 3.81Å; P294-L331 HydrophobicContact CB-CG 4.06Å; P294-L331 HydrophobicContact CG-CD1 4.19Å; I327-L331 VanDerWaalsContact C-CD1 3.5Å; I327-L331 HydrophobicContact CG2-CD1 3.71Å; I327-L331 HydrophobicContact CG2-CG 4.06Å; I327-L331 WeakPolarHBondContact O-CB 3.43Å; I327-L331 WeakPolarHBondContact O-CD1 3.5Å; I327-L331 WeakPolarHBondContact O-CG 3.12Å; I327-L331 PolarHBondContact O-N 3.07Å; Q328-L331 VanDerWaalsContact CA-CD1 3.46Å; Q328-L331 HydrophobicContact CB-CD1 4.47Å; Q328-L331 HydrophobicContact CG-CD1 4.26Å; L331-F336 HydrophobicContact CD2-CD1 3.62Å; L331-F336 HydrophobicContact CD2-CD2 3.78Å; L331-F336 HydrophobicContact CD2-CE1 3.37Å; L331-F336 HydrophobicContact CD2-CE2 3.53Å; L331-F336 HydrophobicContact CD2-CG 3.82Å; L331-F336 HydrophobicContact CD2-CZ 3.33Å; L331-F336 HydrophobicContact CG-CD2 4.33Å; L331-F336 HydrophobicContact CG-CE2 4.34Å; L331-F336 HydrophobicContact CG-CG 4.48Å
332T49.9Very low54.2Low131 Ų13164.9 Ų64.980%0.80435%0.346SS*.THydrogen-bonded Turntrans-88.8-8.5167.1-51.90000111.8T330T330-T332 PolarHBondContact O-N 3.42Å
333S55Low55.3Low28 Ų2857.9 Ų57.920%0.19631%0.313CS..SBendtrans-84.3139.7-175.2-167.40000111.4T330 Q335 F336T330-S333 VanDerWaalsContact O-CA 3.31Å; T330-S333 WeakPolarHBondContact O-CA 3.04Å; T330-S333 WeakPolarHBondContact O-CB 3.45Å; T330-S333 PolarHBondContact O-N 2.94Å; S333-Q335 PolarHBondContact O-N 3.27Å; S333-Q335 PolarHBondContact OG-OE1 2.88Å; S333-F336 PolarHBondContact O-N 2.97Å; S333-F336 VanDerWaalsContact O-N 3.15Å
334P54.3Low56.3Low42 Ų4255.6 Ų55.627%0.27330%0.299SS..Hα-helixtrans-54.4-23.6174.4-26.235.8000114.5Q337 Q338P334-Q337 PolarHBondContact O-N 2.69Å; P334-Q338 PolarHBondContact O-N 3.12Å
335Q55.3Low57.3Low98 Ų9855.7 Ų55.746%0.45830%0.3SS..Hα-helixtrans-64.6-38.8-179.6-62.2159.4-35.800112E318 S333 Q338 A339E318-Q335 WeakPolarHBondContact OE1-CG 3.23Å; S333-Q335 PolarHBondContact O-N 3.27Å; S333-Q335 PolarHBondContact OG-OE1 2.88Å; Q335-Q338 PolarHBondContact O-N 3.33Å; Q335-A339 PolarHBondContact O-N 2.84Å
336F57.6Low58.2Low19 Ų1949.7 Ų49.78%0.08328%0.276CS..Hα-helixtrans-68.4-36.9176.6-178.6-92.7000111.9L301 I327 L331 S333 Q338 A339 L340L301-F336 HydrophobicContact CD1-CD2 4.29Å; L301-F336 HydrophobicContact CD1-CE2 3.44Å; L301-F336 VanDerWaalsContact CD1-CE2 3.44Å; L301-F336 HydrophobicContact CD1-CZ 4.17Å; I327-F336 HydrophobicContact CG2-CE2 4.45Å; L331-F336 HydrophobicContact CD2-CD1 3.62Å; L331-F336 HydrophobicContact CD2-CD2 3.78Å; L331-F336 HydrophobicContact CD2-CE1 3.37Å; L331-F336 HydrophobicContact CD2-CE2 3.53Å; L331-F336 HydrophobicContact CD2-CG 3.82Å; L331-F336 HydrophobicContact CD2-CZ 3.33Å; L331-F336 HydrophobicContact CG-CD2 4.33Å; L331-F336 HydrophobicContact CG-CE2 4.34Å; L331-F336 HydrophobicContact CG-CG 4.48Å; S333-F336 PolarHBondContact O-N 2.97Å; S333-F336 VanDerWaalsContact O-N 3.15Å; F336-Q338 VanDerWaalsContact C-N 3.3Å; F336-Q338 PolarHBondContact O-N 2.8Å; F336-A339 PolarHBondContact O-N 3.3Å; F336-L340 HydrophobicContact CE1-CB 4.38Å; F336-L340 HydrophobicContact CE1-CD1 4.29Å; F336-L340 HydrophobicContact CE1-CD2 4.41Å; F336-L340 HydrophobicContact CZ-CD1 4.3Å; F336-L340 WeakPolarHBondContact O-CB 3.5Å; F336-L340 PolarHBondContact O-N 2.93Å
337Q62.4Low58.8Low40 Ų4044.9 Ų44.919%0.18725%0.254CS..Hα-helixtrans-66.6-35.1178.3-66.5176.3-53.700111.2T36 T37 A289 P334 G341T36-Q337 HydrophobicContact CG2-CB 3.6Å; T36-Q337 HydrophobicContact CG2-CG 4.08Å; T37-Q337 VanDerWaalsContact OG1-CD 3.31Å; T37-Q337 PolarHBondContact OG1-NE2 3.5Å; T37-Q337 PolarHBondContact OG1-OE1 3.3Å; A289-Q337 HydrophobicContact CB-CG 4.27Å; P334-Q337 PolarHBondContact O-N 2.69Å; Q337-G341 PolarHBondContact O-N 3.18Å
338Q60.8Low59.6Low70 Ų7047.1 Ų47.133%0.32727%0.273SS..Hα-helixtrans-66.2-45.5170.4-66.6-164.3-600111.6P277 P334 Q335 F336 L340 G341 M342P277-Q338 PolarHBondContact O-NE2 3.14Å; P334-Q338 PolarHBondContact O-N 3.12Å; Q335-Q338 PolarHBondContact O-N 3.33Å; F336-Q338 VanDerWaalsContact C-N 3.3Å; F336-Q338 PolarHBondContact O-N 2.8Å; Q338-L340 VanDerWaalsContact C-N 3.33Å; Q338-L340 PolarHBondContact O-N 2.9Å; Q338-G341 PolarHBondContact O-N 3.29Å; Q338-M342 HydrophobicContact CB-CE 4.46Å; Q338-M342 WeakPolarHBondContact O-CE 3.34Å; Q338-M342 VanDerWaalsContact O-CG 3.3Å; Q338-M342 WeakPolarHBondContact O-CG 3.19Å; Q338-M342 PolarHBondContact O-N 3.18Å
339A58.3Low60.8Low10 Ų1045 Ų458%0.08327%0.27CS..Hα-helixtrans-59.3-41.9176.200000112.5Q335 F336 M342 F343Q335-A339 PolarHBondContact O-N 2.84Å; F336-A339 PolarHBondContact O-N 3.3Å; A339-M342 PolarHBondContact O-N 3.28Å; A339-F343 WeakPolarHBondContact O-CB 3.15Å; A339-F343 PolarHBondContact O-N 2.97Å
340L64.4Low61.7Low9 Ų939.3 Ų39.35%0.04724%0.244CC..Hα-helixtrans-68.6-38.5177.2-163.377.9000112L288 A289 F336 Q338 M342 F343 S344L288-L340 HydrophobicContact CB-CD2 3.69Å; L288-L340 HydrophobicContact CB-CG 4.36Å; A289-L340 HydrophobicContact CB-CD2 3.78Å; F336-L340 HydrophobicContact CE1-CB 4.38Å; F336-L340 HydrophobicContact CE1-CD1 4.29Å; F336-L340 HydrophobicContact CE1-CD2 4.41Å; F336-L340 HydrophobicContact CZ-CD1 4.3Å; F336-L340 WeakPolarHBondContact O-CB 3.5Å; F336-L340 PolarHBondContact O-N 2.93Å; Q338-L340 VanDerWaalsContact C-N 3.33Å; Q338-L340 PolarHBondContact O-N 2.9Å; L340-M342 VanDerWaalsContact C-N 3.29Å; L340-M342 PolarHBondContact O-N 3.13Å; L340-F343 PolarHBondContact O-N 2.67Å; L340-S344 WeakPolarHBondContact O-CB 3.46Å; L340-S344 PolarHBondContact O-N 2.84Å
341G63Low62.3Low7 Ų743 Ų437%0.07226%0.259CS..Hα-helixtrans-62.3-35.9172.700000113.1Q285 Q337 Q338 A345Q285-G341 VanDerWaalsContact CD-CA 3.47Å; Q285-G341 PolarHBondContact NE2-O 3.42Å; Q337-G341 PolarHBondContact O-N 3.18Å; Q338-G341 PolarHBondContact O-N 3.29Å; G341-A345 PolarHBondContact O-N 2.8Å
342M62.5Low63.2Low57 Ų5741.4 Ų41.428%0.28125%0.25SS..Hα-helixtrans-77.6-38.2175.2-67.6-177.1-65.600112.2L314 Q338 A339 L340 S344 A345 A346L314-M342 HydrophobicContact CD2-CE 3.82Å; L314-M342 HydrophobicContact CD2-SD 4.5Å; Q338-M342 HydrophobicContact CB-CE 4.46Å; Q338-M342 WeakPolarHBondContact O-CE 3.34Å; Q338-M342 VanDerWaalsContact O-CG 3.3Å; Q338-M342 WeakPolarHBondContact O-CG 3.19Å; Q338-M342 PolarHBondContact O-N 3.18Å; A339-M342 PolarHBondContact O-N 3.28Å; L340-M342 VanDerWaalsContact C-N 3.29Å; L340-M342 PolarHBondContact O-N 3.13Å; M342-S344 VanDerWaalsContact C-N 3.3Å; M342-S344 PolarHBondContact O-N 2.72Å; M342-A345 WeakPolarHBondContact O-CB 2.98Å; M342-A345 PolarHBondContact O-N 3.2Å; M342-A345 VanDerWaalsContact O-N 3.11Å; M342-A346 PolarHBondContact O-N 3.11Å
343F66Low64.1Low5 Ų535.1 Ų35.12%0.02221%0.212CC..Hα-helixtrans-59.1-42.7170.2175.9-90.2000111M297 I300 A339 L340 A345 A346 L347 L352 M356 F377M297-F343 HydrophobicContact SD-CE1 4.3Å; M297-F343 HydrophobicContact SD-CZ 4.26Å; I300-F343 HydrophobicContact CG2-CE2 3.73Å; I300-F343 HydrophobicContact CG2-CZ 4.22Å; A339-F343 WeakPolarHBondContact O-CB 3.15Å; A339-F343 PolarHBondContact O-N 2.97Å; L340-F343 PolarHBondContact O-N 2.67Å; F343-A345 VanDerWaalsContact C-N 3.29Å; F343-A345 PolarHBondContact O-N 3.24Å; F343-A346 CarbonylContact O-C 3.58Å; F343-A346 PolarHBondContact O-N 3.23Å; F343-L347 HydrophobicContact CE1-CD2 4.39Å; F343-L347 VanDerWaalsContact O-CB 3.25Å; F343-L347 WeakPolarHBondContact O-CB 2.97Å; F343-L347 PolarHBondContact O-N 3.04Å; F343-L352 HydrophobicContact CD2-CD2 3.67Å; F343-L352 HydrophobicContact CE2-CD2 3.09Å; F343-L352 HydrophobicContact CZ-CD2 3.73Å; F343-M356 HydrophobicContact CE1-CE 4.22Å; F343-M356 HydrophobicContact CE2-CE 4.13Å; F343-M356 HydrophobicContact CZ-CE 3.48Å; F343-M356 VanDerWaalsContact CZ-CE 3.48Å; F343-F377 HydrophobicContact CE1-CE1 4.45Å
344S68.6Low64.7Low13 Ų1337.9 Ų37.99%0.09123%0.229CC..Hα-helixtrans-60.3-38.1173.6-179.60000112L340 M342 L347 A348 V374L340-S344 WeakPolarHBondContact O-CB 3.46Å; L340-S344 PolarHBondContact O-N 2.84Å; M342-S344 VanDerWaalsContact C-N 3.3Å; M342-S344 PolarHBondContact O-N 2.72Å; S344-L347 PolarHBondContact O-N 2.92Å; S344-A348 VanDerWaalsContact O-CB 3.27Å; S344-A348 WeakPolarHBondContact O-CB 3.26Å; S344-A348 PolarHBondContact O-N 3.42Å; S344-V374 WeakPolarHBondContact O-CG2 3.27Å; S344-V374 WeakPolarHBondContact OG-CG1 3.19Å
345A68.2Low65.3Low60 Ų6037.9 Ų37.950%0.49623%0.227SC..Hα-helixtrans-70.3-39.3176.400000112.1G341 M342 F343 L347 A348 S349G341-A345 PolarHBondContact O-N 2.8Å; M342-A345 WeakPolarHBondContact O-CB 2.98Å; M342-A345 PolarHBondContact O-N 3.2Å; M342-A345 VanDerWaalsContact O-N 3.11Å; F343-A345 VanDerWaalsContact C-N 3.29Å; F343-A345 PolarHBondContact O-N 3.24Å; A345-L347 VanDerWaalsContact C-N 3.33Å; A345-A348 PolarHBondContact O-N 3.45Å; A345-S349 PolarHBondContact O-N 3.44Å
346A68.6Low65.8Low26 Ų2633.3 Ų33.322%0.21521%0.205CC..Hα-helixtrans-70-29.6174.200000112.8M342 F343 S349 L352M342-A346 PolarHBondContact O-N 3.11Å; F343-A346 CarbonylContact O-C 3.58Å; F343-A346 PolarHBondContact O-N 3.23Å; A346-S349 PolarHBondContact O-OG 3.04Å; A346-L352 HydrophobicContact CB-CD1 4.39Å
347L67.5Low66.2Low2 Ų235.6 Ų35.61%0.0122%0.223CC..Hα-helixtrans-72.3-44.4171.4-178.363.1000110.9F343 S344 A345 S349 G350 M356 A369 G372 V374 F377F343-L347 HydrophobicContact CE1-CD2 4.39Å; F343-L347 VanDerWaalsContact O-CB 3.25Å; F343-L347 WeakPolarHBondContact O-CB 2.97Å; F343-L347 PolarHBondContact O-N 3.04Å; S344-L347 PolarHBondContact O-N 2.92Å; A345-L347 VanDerWaalsContact C-N 3.33Å; L347-S349 PolarHBondContact O-N 2.79Å; L347-G350 WeakPolarHBondContact O-CA 3.49Å; L347-G350 PolarHBondContact O-N 3.4Å; L347-M356 HydrophobicContact CD1-CE 3.43Å; L347-M356 VanDerWaalsContact CD1-CE 3.43Å; L347-M356 HydrophobicContact CD1-SD 4.06Å; L347-A369 HydrophobicContact CD1-CB 3.46Å; L347-A369 VanDerWaalsContact CD1-CB 3.46Å; L347-G372 WeakPolarHBondContact O-CA 3.29Å; L347-V374 HydrophobicContact CB-CG2 4.35Å; L347-V374 HydrophobicContact CD2-CG1 4.35Å; L347-V374 HydrophobicContact CD2-CG2 4.21Å; L347-V374 HydrophobicContact CG-CG2 4.19Å; L347-F377 HydrophobicContact CD2-CB 4.11Å; L347-F377 HydrophobicContact CD2-CD1 3.28Å; L347-F377 HydrophobicContact CD2-CD2 4.39Å; L347-F377 HydrophobicContact CD2-CE1 3.65Å; L347-F377 HydrophobicContact CD2-CG 3.68Å; L347-F377 HydrophobicContact CD2-CZ 4.38Å
348A70.6Confident66.4Low52 Ų5241.5 Ų41.543%0.4325%0.251SS..Hα-helixtrans-60.4-29.9176.100000112.4S344 A345 G350 G372 V374S344-A348 VanDerWaalsContact O-CB 3.27Å; S344-A348 WeakPolarHBondContact O-CB 3.26Å; S344-A348 PolarHBondContact O-N 3.42Å; A345-A348 PolarHBondContact O-N 3.45Å; A348-G350 PolarHBondContact O-N 3.5Å; A348-G372 WeakPolarHBondContact O-CA 3.34Å; A348-V374 HydrophobicContact CB-CG2 3.65Å
349S72.7Confident66.5Low61 Ų6141.2 Ų41.243%0.42725%0.249SC..THydrogen-bonded Turntrans-75-5.2174.477.30000113.6A345 A346 L347 Q351A345-S349 PolarHBondContact O-N 3.44Å; A346-S349 PolarHBondContact O-OG 3.04Å; L347-S349 PolarHBondContact O-N 2.79Å; S349-Q351 PolarHBondContact O-N 3.45Å; S349-Q351 VanDerWaalsContact O-N 3.15Å; S349-Q351 VanDerWaalsContact OG-CG 3.3Å; S349-Q351 WeakPolarHBondContact OG-CG 3.31Å
350G67.8Low66.7Low19 Ų1944 Ų4420%0.19628%0.278CS..THydrogen-bonded Turntrans71.4-0.9-179.400000114.2L347 A348 L352 G353L347-G350 WeakPolarHBondContact O-CA 3.49Å; L347-G350 PolarHBondContact O-N 3.4Å; A348-G350 PolarHBondContact O-N 3.5Å; G350-L352 VanDerWaalsContact C-N 3.28Å; G350-L352 PolarHBondContact O-N 3.23Å; G350-G353 PolarHBondContact O-N 2.77Å
351Q68.6Low67.1Low115 Ų11544.9 Ų44.954%0.53728%0.283SS..THydrogen-bonded Turntrans-73.3-22-174.2-66.2179.16.100112.9S349S349-Q351 PolarHBondContact O-N 3.45Å; S349-Q351 VanDerWaalsContact O-N 3.15Å; S349-Q351 VanDerWaalsContact OG-CG 3.3Å; S349-Q351 WeakPolarHBondContact OG-CG 3.31Å
352L65.7Low67.6Low5 Ų546 Ų463%0.02629%0.289CS..THydrogen-bonded Turntrans-85.8-15.3177.7-12882.7000113.1F343 A346 G350 P354 L355 M356F343-L352 HydrophobicContact CD2-CD2 3.67Å; F343-L352 HydrophobicContact CE2-CD2 3.09Å; F343-L352 HydrophobicContact CZ-CD2 3.73Å; A346-L352 HydrophobicContact CB-CD1 4.39Å; G350-L352 VanDerWaalsContact C-N 3.28Å; G350-L352 PolarHBondContact O-N 3.23Å; L352-P354 VanDerWaalsContact C-CD 3.49Å; L352-P354 VanDerWaalsContact O-N 3.15Å; L352-L355 HydrophobicContact CD1-CD1 4.07Å; L352-L355 HydrophobicContact CG-CD1 4.01Å; L352-L355 WeakPolarHBondContact O-CA 3.43Å; L352-L355 WeakPolarHBondContact O-CB 3.41Å; L352-L355 PolarHBondContact O-N 2.86Å; L352-M356 HydrophobicContact CB-CE 3.82Å; L352-M356 HydrophobicContact CB-SD 3.71Å; L352-M356 HydrophobicContact CD2-CE 3.41Å; L352-M356 VanDerWaalsContact CD2-CE 3.41Å; L352-M356 HydrophobicContact CD2-SD 4.1Å; L352-M356 HydrophobicContact CG-CE 4.06Å; L352-M356 HydrophobicContact CG-SD 4.16Å; L352-M356 PolarHBondContact O-N 3.15Å
353G67.3Low68.2Low0 Ų047.2 Ų47.20%031%0.308CS..Hα-helixtrans-47.5-44.1-174.900000116G350 L355 M356 C357 N370G350-G353 PolarHBondContact O-N 2.77Å; G353-L355 VanDerWaalsContact C-N 3.31Å; G353-L355 PolarHBondContact O-N 3.45Å; G353-M356 PolarHBondContact O-N 3.46Å; G353-C357 PolarHBondContact O-N 3.06Å; G353-N370 PolarHBondContact O-ND2 3.42Å
354P69.2Low68.5Low85 Ų8554.2 Ų54.255%0.55234%0.34SS*.Hα-helixtrans-65-29.8176.3-24.435.2000114.3L352 C357 Q358L352-P354 VanDerWaalsContact C-CD 3.49Å; L352-P354 VanDerWaalsContact O-N 3.15Å; P354-C357 WeakPolarHBondContact O-CB 3.49Å; P354-C357 PolarHBondContact O-N 2.91Å; P354-Q358 PolarHBondContact O-N 3.37Å
355L66Low68.7Low43 Ų4353.6 Ų53.623%0.22534%0.336CS..Hα-helixtrans-71.6-38.7176.5-67167.7000110.4D305 V306 L352 G353 C357 Q358 F359D305-L355 HydrophobicContact CB-CD2 4.48Å; V306-L355 HydrophobicContact CG2-CD1 3.97Å; L352-L355 HydrophobicContact CD1-CD1 4.07Å; L352-L355 HydrophobicContact CG-CD1 4.01Å; L352-L355 WeakPolarHBondContact O-CA 3.43Å; L352-L355 WeakPolarHBondContact O-CB 3.41Å; L352-L355 PolarHBondContact O-N 2.86Å; G353-L355 VanDerWaalsContact C-N 3.31Å; G353-L355 PolarHBondContact O-N 3.45Å; L355-C357 VanDerWaalsContact C-N 3.27Å; L355-C357 PolarHBondContact O-N 3.46Å; L355-Q358 WeakPolarHBondContact O-CB 3.32Å; L355-Q358 PolarHBondContact O-N 2.78Å; L355-F359 HydrophobicContact CB-CE2 4.25Å; L355-F359 WeakPolarHBondContact O-CD2 3.1Å; L355-F359 PolarHBondContact O-N 3.15Å; L355-F359 VanDerWaalsContact O-N 3.13Å
356M67.1Low69Low1 Ų151.6 Ų51.61%0.00532%0.318CS..Hα-helixtrans-60.2-34.6174.8-75.283.3-178.100113.2F343 L347 L352 G353 Q358 F359 L361 V366 A369 F377F343-M356 HydrophobicContact CE1-CE 4.22Å; F343-M356 HydrophobicContact CE2-CE 4.13Å; F343-M356 HydrophobicContact CZ-CE 3.48Å; F343-M356 VanDerWaalsContact CZ-CE 3.48Å; L347-M356 HydrophobicContact CD1-CE 3.43Å; L347-M356 VanDerWaalsContact CD1-CE 3.43Å; L347-M356 HydrophobicContact CD1-SD 4.06Å; L352-M356 HydrophobicContact CB-CE 3.82Å; L352-M356 HydrophobicContact CB-SD 3.71Å; L352-M356 HydrophobicContact CD2-CE 3.41Å; L352-M356 VanDerWaalsContact CD2-CE 3.41Å; L352-M356 HydrophobicContact CD2-SD 4.1Å; L352-M356 HydrophobicContact CG-CE 4.06Å; L352-M356 HydrophobicContact CG-SD 4.16Å; L352-M356 PolarHBondContact O-N 3.15Å; G353-M356 PolarHBondContact O-N 3.46Å; M356-Q358 VanDerWaalsContact C-N 3.31Å; M356-Q358 PolarHBondContact O-N 3.15Å; M356-F359 PolarHBondContact O-N 2.78Å; M356-L361 HydrophobicContact CB-CD1 3.95Å; M356-L361 HydrophobicContact CG-CD1 3.67Å; M356-L361 PolarHBondContact O-N 2.91Å; M356-V366 HydrophobicContact CB-CG2 4.17Å; M356-A369 HydrophobicContact CB-CB 4.25Å; M356-A369 HydrophobicContact CG-CB 3.92Å; M356-A369 HydrophobicContact SD-CB 3.89Å; M356-F377 HydrophobicContact CE-CZ 4.24Å; M356-F377 HydrophobicContact CG-CE2 4.16Å; M356-F377 HydrophobicContact CG-CZ 4.48Å
357C65.9Low69.5Low68 Ų6855.6 Ų55.646%0.45933%0.332SS..Hα-helixtrans-60.2-42.1172.2-59.10000111.6G353 P354 L355 F359 G360 V366G353-C357 PolarHBondContact O-N 3.06Å; P354-C357 WeakPolarHBondContact O-CB 3.49Å; P354-C357 PolarHBondContact O-N 2.91Å; L355-C357 VanDerWaalsContact C-N 3.27Å; L355-C357 PolarHBondContact O-N 3.46Å; C357-F359 VanDerWaalsContact C-N 3.31Å; C357-F359 PolarHBondContact O-N 2.8Å; C357-G360 PolarHBondContact O-N 3.42Å; C357-V366 HydrophobicContact CB-CG1 4.29Å; C357-V366 WeakPolarHBondContact SG-CG1 3.13Å
358Q66.1Low70Confident163 Ų16355.8 Ų55.876%0.76233%0.334SS*.Hα-helixtrans-71.6-26.4-177.1-16959.374.900112.7P354 L355 M356 G360P354-Q358 PolarHBondContact O-N 3.37Å; L355-Q358 WeakPolarHBondContact O-CB 3.32Å; L355-Q358 PolarHBondContact O-N 2.78Å; M356-Q358 VanDerWaalsContact C-N 3.31Å; M356-Q358 PolarHBondContact O-N 3.15Å; Q358-G360 VanDerWaalsContact C-N 3.31Å
359F63.3Low70.3Confident65 Ų6553.3 Ų53.329%0.28531%0.314SS..THydrogen-bonded Turntrans-81.1-3.4175.5-73.9-69.7000114.2I300 N303 L355 M356 C357 L361I300-F359 HydrophobicContact CB-CZ 4.49Å; I300-F359 HydrophobicContact CD1-CB 4.21Å; I300-F359 HydrophobicContact CD1-CD1 4.36Å; I300-F359 HydrophobicContact CD1-CD2 3.68Å; I300-F359 HydrophobicContact CD1-CE2 4.15Å; I300-F359 HydrophobicContact CD1-CG 3.84Å; I300-F359 HydrophobicContact CG1-CD1 4.16Å; I300-F359 HydrophobicContact CG1-CD2 4.19Å; I300-F359 HydrophobicContact CG1-CE1 4.24Å; I300-F359 HydrophobicContact CG1-CE2 4.31Å; I300-F359 HydrophobicContact CG1-CG 4.15Å; I300-F359 HydrophobicContact CG1-CZ 4.33Å; I300-F359 HydrophobicContact CG2-CE2 4.42Å; N303-F359 HydrophobicContact CB-CZ 3.85Å; L355-F359 HydrophobicContact CB-CE2 4.25Å; L355-F359 WeakPolarHBondContact O-CD2 3.1Å; L355-F359 PolarHBondContact O-N 3.15Å; L355-F359 VanDerWaalsContact O-N 3.13Å; M356-F359 PolarHBondContact O-N 2.78Å; C357-F359 VanDerWaalsContact C-N 3.31Å; C357-F359 PolarHBondContact O-N 2.8Å; F359-L361 VanDerWaalsContact C-N 3.29Å; F359-L361 HydrophobicContact CB-CG 4.31Å; F359-L361 PolarHBondContact O-N 2.81Å
360G61.1Low70.5Confident68 Ų6854 Ų5470%0.70131%0.312SS*.THydrogen-bonded Turntrans67.128.6178.900000113.8C357 Q358C357-G360 PolarHBondContact O-N 3.42Å; Q358-G360 VanDerWaalsContact C-N 3.31Å
361L73.6Confident71Confident27 Ų2760.1 Ų60.114%0.14133%0.334CS..  trans-67.9159175.2-72.3175.1000111.2I296 I300 M356 F359 A363 V366 F377 M381I296-L361 HydrophobicContact CG2-CD2 4.5Å; I300-L361 HydrophobicContact CD1-CD1 3.98Å; M356-L361 HydrophobicContact CB-CD1 3.95Å; M356-L361 HydrophobicContact CG-CD1 3.67Å; M356-L361 PolarHBondContact O-N 2.91Å; F359-L361 VanDerWaalsContact C-N 3.29Å; F359-L361 HydrophobicContact CB-CG 4.31Å; F359-L361 PolarHBondContact O-N 2.81Å; L361-A363 PolarHBondContact O-N 2.83Å; L361-V366 HydrophobicContact CB-CG2 4.01Å; L361-V366 WeakPolarHBondContact O-CG2 3.33Å; L361-F377 HydrophobicContact CD1-CE2 4.22Å; L361-F377 HydrophobicContact CD1-CZ 4.25Å; L361-M381 HydrophobicContact CD2-CE 3.95Å; L361-M381 HydrophobicContact CD2-SD 3.89Å
362P73.3Confident71.1Confident32 Ų3255.4 Ų55.421%0.20832%0.316CS..  trans-52.4139-178.7-24.532.4000111.7E364 A365 V366 N384P362-E364 PolarHBondContact O-N 3.47Å; P362-E364 VanDerWaalsContact O-N 3.09Å; P362-A365 HydrophobicContact CB-CB 4.23Å; P362-A365 HydrophobicContact CG-CB 4.45Å; P362-A365 CarbonylContact O-C 3.29Å; P362-A365 WeakPolarHBondContact O-CA 3.17Å; P362-A365 WeakPolarHBondContact O-CB 3.37Å; P362-A365 PolarHBondContact O-N 3.18Å; P362-V366 WeakPolarHBondContact O-CG2 3.39Å; P362-V366 PolarHBondContact O-N 2.87Å; P362-N384 HydrophobicContact CG-CB 3.87Å
363A74.4Confident71.7Confident82 Ų8259 Ų5968%0.67834%0.335SS*.Hα-helixtrans-53.6-35.6-177.300000112.8L361 V366 E367L361-A363 PolarHBondContact O-N 2.83Å; A363-V366 PolarHBondContact O-N 2.83Å; A363-E367 WeakPolarHBondContact O-CB 3.17Å; A363-E367 PolarHBondContact O-N 3.42Å
364E74Confident71.8Confident151 Ų15159.9 Ų59.971%0.70634%0.341SS*.Hα-helixtrans-67.8-37.3175-61.7-160.2160.800113.2P362 A368 A380P362-E364 PolarHBondContact O-N 3.47Å; P362-E364 VanDerWaalsContact O-N 3.09Å; E364-A368 VanDerWaalsContact O-CB 3.29Å; E364-A368 WeakPolarHBondContact O-CB 3.41Å; E364-A368 PolarHBondContact O-N 3.11Å; E364-A380 HydrophobicContact CB-CB 4.24Å
365A72.8Confident71.9Confident0 Ų061 Ų610%034%0.339CS..Hα-helixtrans-70.3-42174.800000110.4P362 E367 A368 A369 F377 A380 M381P362-A365 HydrophobicContact CB-CB 4.23Å; P362-A365 HydrophobicContact CG-CB 4.45Å; P362-A365 CarbonylContact O-C 3.29Å; P362-A365 WeakPolarHBondContact O-CA 3.17Å; P362-A365 WeakPolarHBondContact O-CB 3.37Å; P362-A365 PolarHBondContact O-N 3.18Å; A365-E367 PolarHBondContact O-N 2.93Å; A365-A368 PolarHBondContact O-N 3.02Å; A365-A369 VanDerWaalsContact O-CB 3.25Å; A365-A369 WeakPolarHBondContact O-CB 3.42Å; A365-A369 PolarHBondContact O-N 3.23Å; A365-F377 HydrophobicContact CB-CD2 3.76Å; A365-F377 HydrophobicContact CB-CE2 3.87Å; A365-F377 VanDerWaalsContact O-CD2 3.26Å; A365-F377 WeakPolarHBondContact O-CD2 3.32Å; A365-A380 HydrophobicContact CB-CB 3.98Å; A365-M381 HydrophobicContact CB-CG 4.34Å; A365-M381 HydrophobicContact CB-SD 4.17Å
366V74.4Confident72.4Confident19 Ų1960.8 Ų60.812%0.11534%0.343CS..Hα-helixtrans-61.7-44.2176.1172.70000111.2M356 C357 L361 P362 A363 A369 N370M356-V366 HydrophobicContact CB-CG2 4.17Å; C357-V366 HydrophobicContact CB-CG1 4.29Å; C357-V366 WeakPolarHBondContact SG-CG1 3.13Å; L361-V366 HydrophobicContact CB-CG2 4.01Å; L361-V366 WeakPolarHBondContact O-CG2 3.33Å; P362-V366 WeakPolarHBondContact O-CG2 3.39Å; P362-V366 PolarHBondContact O-N 2.87Å; A363-V366 PolarHBondContact O-N 2.83Å; V366-A369 PolarHBondContact O-N 3.26Å; V366-N370 PolarHBondContact O-N 2.78Å; V366-N370 PolarHBondContact O-ND2 3.29Å
367E78.8Confident72.7Confident109 Ų10960.8 Ų60.851%0.50934%0.343SS..Hα-helixtrans-66.8-40.1178.1-171.9166.2173.200111.9A363 A365 N370 K371A363-E367 WeakPolarHBondContact O-CB 3.17Å; A363-E367 PolarHBondContact O-N 3.42Å; A365-E367 PolarHBondContact O-N 2.93Å; E367-N370 PolarHBondContact O-N 3.25Å; E367-K371 HydrophobicContact CG-CD 4.27Å; E367-K371 WeakPolarHBondContact O-CB 3.44Å; E367-K371 WeakPolarHBondContact O-CG 3.35Å; E367-K371 PolarHBondContact O-N 2.81Å; E367-K371 WeakPolarHBondContact OE1-CE 2.93Å; E367-K371 IonicContact OE1-NZ 2.66Å; E367-K371 PolarHBondContact OE1-NZ 2.96Å
368A77.6Confident73Confident7 Ų757.9 Ų57.96%0.05832%0.324CS..Hα-helixtrans-63.3-40.7172.900000112.3E364 A365 K371 G372 D373 A376 F377E364-A368 VanDerWaalsContact O-CB 3.29Å; E364-A368 WeakPolarHBondContact O-CB 3.41Å; E364-A368 PolarHBondContact O-N 3.11Å; A365-A368 PolarHBondContact O-N 3.02Å; A368-K371 CarbonylContact O-C 3.6Å; A368-K371 PolarHBondContact O-N 2.65Å; A368-G372 PolarHBondContact O-N 3.45Å; A368-D373 PolarHBondContact O-N 3.45Å; A368-A376 HydrophobicContact CB-CB 3.81Å; A368-F377 HydrophobicContact CB-CB 4.04Å
369A76.9Confident73.4Confident0 Ų056.3 Ų56.30%032%0.315CS..Hα-helixtrans-64.5-39.1176.500000112.4L347 M356 A365 V366 K371 G372 F377L347-A369 HydrophobicContact CD1-CB 3.46Å; L347-A369 VanDerWaalsContact CD1-CB 3.46Å; M356-A369 HydrophobicContact CB-CB 4.25Å; M356-A369 HydrophobicContact CG-CB 3.92Å; M356-A369 HydrophobicContact SD-CB 3.89Å; A365-A369 VanDerWaalsContact O-CB 3.25Å; A365-A369 WeakPolarHBondContact O-CB 3.42Å; A365-A369 PolarHBondContact O-N 3.23Å; V366-A369 PolarHBondContact O-N 3.26Å; A369-K371 VanDerWaalsContact C-N 3.34Å; A369-G372 PolarHBondContact O-N 2.84Å; A369-F377 HydrophobicContact CB-CD2 4.05Å; A369-F377 HydrophobicContact CB-CE2 4.26Å
370N76.1Confident73.9Confident74 Ų7453.7 Ų53.740%0.39631%0.305SS..Hα-helixtrans-70.6-30.4174.8-78.7-75.3000112.5G353 V366 E367 G372G353-N370 PolarHBondContact O-ND2 3.42Å; V366-N370 PolarHBondContact O-N 2.78Å; V366-N370 PolarHBondContact O-ND2 3.29Å; E367-N370 PolarHBondContact O-N 3.25Å; N370-G372 VanDerWaalsContact C-N 3.32Å
371K77.9Confident74.3Confident148 Ų14850.9 Ų50.964%0.64327%0.274SS*.Hα-helixtrans-81.3-9.1175.3-72175.4-174169.60113.6E367 A368 A369 D373E367-K371 HydrophobicContact CG-CD 4.27Å; E367-K371 WeakPolarHBondContact O-CB 3.44Å; E367-K371 WeakPolarHBondContact O-CG 3.35Å; E367-K371 PolarHBondContact O-N 2.81Å; E367-K371 WeakPolarHBondContact OE1-CE 2.93Å; E367-K371 IonicContact OE1-NZ 2.66Å; E367-K371 PolarHBondContact OE1-NZ 2.96Å; A368-K371 CarbonylContact O-C 3.6Å; A368-K371 PolarHBondContact O-N 2.65Å; A369-K371 VanDerWaalsContact C-N 3.34Å; K371-D373 VanDerWaalsContact C-N 3.25Å; K371-D373 PolarHBondContact O-N 2.82Å
372G72.3Confident74.1Confident17 Ų1754.9 Ų54.918%0.17529%0.292CS..THydrogen-bonded Turntrans72.117.6-174.100000113.9L347 A348 A368 A369 N370 V374L347-G372 WeakPolarHBondContact O-CA 3.29Å; A348-G372 WeakPolarHBondContact O-CA 3.34Å; A368-G372 PolarHBondContact O-N 3.45Å; A369-G372 PolarHBondContact O-N 2.84Å; N370-G372 VanDerWaalsContact C-N 3.32Å; G372-V374 PolarHBondContact O-N 3.35Å
373D76.8Confident74Confident79 Ų7958.3 Ų58.342%0.42231%0.308SS..  trans-89.286.3179.9-166.2-22.2000110.2A368 K371 E375 A376 F377A368-D373 PolarHBondContact O-N 3.45Å; K371-D373 VanDerWaalsContact C-N 3.25Å; K371-D373 PolarHBondContact O-N 2.82Å; D373-E375 PolarHBondContact O-N 3.23Å; D373-E375 PolarHBondContact OD1-N 2.8Å; D373-A376 HydrophobicContact CB-CB 3.98Å; D373-A376 VanDerWaalsContact CG-CB 3.44Å; D373-A376 PolarHBondContact O-N 3.01Å; D373-A376 PolarHBondContact OD1-N 2.93Å; D373-F377 WeakPolarHBondContact O-CB 3.28Å; D373-F377 PolarHBondContact O-N 3.32Å
374V71.4Confident73.4Confident20 Ų2058.3 Ų58.312%0.12130%0.297CS..Hα-helixtrans-62.4-32.2-178.2-178.60000112L288 S344 L347 A348 G372 A378L288-V374 HydrophobicContact CD1-CG1 4.03Å; L288-V374 HydrophobicContact CD2-CG1 4.24Å; S344-V374 WeakPolarHBondContact O-CG2 3.27Å; S344-V374 WeakPolarHBondContact OG-CG1 3.19Å; L347-V374 HydrophobicContact CB-CG2 4.35Å; L347-V374 HydrophobicContact CD2-CG1 4.35Å; L347-V374 HydrophobicContact CD2-CG2 4.21Å; L347-V374 HydrophobicContact CG-CG2 4.19Å; A348-V374 HydrophobicContact CB-CG2 3.65Å; G372-V374 PolarHBondContact O-N 3.35Å; V374-A378 WeakPolarHBondContact O-CB 3.43Å; V374-A378 PolarHBondContact O-N 3.37Å
375E71Confident72.7Confident109 Ų10953.6 Ų53.651%0.50928%0.284SS..Hα-helixtrans-72.9-45.9-179.5-172.1179163.100110.7D373 F377 A378 K379D373-E375 PolarHBondContact O-N 3.23Å; D373-E375 PolarHBondContact OD1-N 2.8Å; E375-F377 VanDerWaalsContact C-N 3.29Å; E375-F377 PolarHBondContact O-N 3.42Å; E375-A378 PolarHBondContact O-N 2.69Å; E375-K379 VanDerWaalsContact O-CB 3.26Å; E375-K379 WeakPolarHBondContact O-CB 3.39Å; E375-K379 PolarHBondContact O-N 2.76Å
376A75.5Confident71.7Confident38 Ų3861.3 Ų61.331%0.31432%0.317SS..Hα-helixtrans-62-38.9173.400000111.6A368 D373 K379 A380A368-A376 HydrophobicContact CB-CB 3.81Å; D373-A376 HydrophobicContact CB-CB 3.98Å; D373-A376 VanDerWaalsContact CG-CB 3.44Å; D373-A376 PolarHBondContact O-N 3.01Å; D373-A376 PolarHBondContact OD1-N 2.93Å; A376-K379 PolarHBondContact O-N 2.86Å; A376-A380 VanDerWaalsContact O-CB 3.25Å; A376-A380 WeakPolarHBondContact O-CB 3.49Å; A376-A380 PolarHBondContact O-N 3.27Å
377F74.4Confident70.2Confident1 Ų165.4 Ų65.40%0.00434%0.344CS..Hα-helixtrans-61.7-50.8174.7178-103000112.1L292 F343 L347 M356 L361 A365 A368 A369 D373 E375 K379 A380 M381L292-F377 HydrophobicContact CD2-CE1 3.95Å; F343-F377 HydrophobicContact CE1-CE1 4.45Å; L347-F377 HydrophobicContact CD2-CB 4.11Å; L347-F377 HydrophobicContact CD2-CD1 3.28Å; L347-F377 HydrophobicContact CD2-CD2 4.39Å; L347-F377 HydrophobicContact CD2-CE1 3.65Å; L347-F377 HydrophobicContact CD2-CG 3.68Å; L347-F377 HydrophobicContact CD2-CZ 4.38Å; M356-F377 HydrophobicContact CE-CZ 4.24Å; M356-F377 HydrophobicContact CG-CE2 4.16Å; M356-F377 HydrophobicContact CG-CZ 4.48Å; L361-F377 HydrophobicContact CD1-CE2 4.22Å; L361-F377 HydrophobicContact CD1-CZ 4.25Å; A365-F377 HydrophobicContact CB-CD2 3.76Å; A365-F377 HydrophobicContact CB-CE2 3.87Å; A365-F377 VanDerWaalsContact O-CD2 3.26Å; A365-F377 WeakPolarHBondContact O-CD2 3.32Å; A368-F377 HydrophobicContact CB-CB 4.04Å; A369-F377 HydrophobicContact CB-CD2 4.05Å; A369-F377 HydrophobicContact CB-CE2 4.26Å; D373-F377 WeakPolarHBondContact O-CB 3.28Å; D373-F377 PolarHBondContact O-N 3.32Å; E375-F377 VanDerWaalsContact C-N 3.29Å; E375-F377 PolarHBondContact O-N 3.42Å; F377-K379 VanDerWaalsContact C-N 3.27Å; F377-K379 PolarHBondContact O-N 3.11Å; F377-A380 PolarHBondContact O-N 2.93Å; F377-M381 HydrophobicContact CD1-CG 4.38Å; F377-M381 HydrophobicContact CD2-CG 4.47Å; F377-M381 HydrophobicContact CE1-CG 4.14Å; F377-M381 HydrophobicContact CE2-CG 4.21Å; F377-M381 HydrophobicContact CZ-CG 4.04Å; F377-M381 HydrophobicContact CZ-SD 4.48Å; F377-M381 WeakPolarHBondContact O-CB 3.45Å; F377-M381 VanDerWaalsContact O-CG 3.23Å; F377-M381 WeakPolarHBondContact O-CG 3.23Å; F377-M381 PolarHBondContact O-N 3.45Å
378A72.4Confident68.5Low7 Ų768.9 Ų68.96%0.05836%0.361CS..Hα-helixtrans-61.3-38.8178.900000111.7L288 V291 L292 V374 E375 M381 Q382L288-A378 HydrophobicContact CD2-CB 3.49Å; L288-A378 VanDerWaalsContact CD2-CB 3.49Å; V291-A378 HydrophobicContact CG1-CB 4.48Å; L292-A378 HydrophobicContact CD1-CB 4.39Å; V374-A378 WeakPolarHBondContact O-CB 3.43Å; V374-A378 PolarHBondContact O-N 3.37Å; E375-A378 PolarHBondContact O-N 2.69Å; A378-M381 PolarHBondContact O-N 2.75Å; A378-Q382 VanDerWaalsContact O-CB 3.31Å; A378-Q382 WeakPolarHBondContact O-CB 3.42Å; A378-Q382 PolarHBondContact O-N 2.9Å
379K74.4Confident67Low129 Ų12977.4 Ų77.456%0.56140%0.399SS*.Hα-helixtrans-70.5-40.9178.1-166.7174-173.1173.70112.6E375 A376 F377 M381 Q382 N383E375-K379 VanDerWaalsContact O-CB 3.26Å; E375-K379 WeakPolarHBondContact O-CB 3.39Å; E375-K379 PolarHBondContact O-N 2.76Å; A376-K379 PolarHBondContact O-N 2.86Å; F377-K379 VanDerWaalsContact C-N 3.27Å; F377-K379 PolarHBondContact O-N 3.11Å; K379-M381 VanDerWaalsContact C-N 3.34Å; K379-Q382 PolarHBondContact O-N 2.98Å; K379-N383 WeakPolarHBondContact O-CB 3.02Å; K379-N383 PolarHBondContact O-N 3.24Å
380A72.9Confident65.2Low11 Ų1187.5 Ų87.59%0.09144%0.443CS..Hα-helixtrans-62.3-43.9173.900000110.6E364 A365 A376 F377 N383 N384E364-A380 HydrophobicContact CB-CB 4.24Å; A365-A380 HydrophobicContact CB-CB 3.98Å; A376-A380 VanDerWaalsContact O-CB 3.25Å; A376-A380 WeakPolarHBondContact O-CB 3.49Å; A376-A380 PolarHBondContact O-N 3.27Å; F377-A380 PolarHBondContact O-N 2.93Å; A380-N383 PolarHBondContact O-N 2.99Å; A380-N384 WeakPolarHBondContact O-CB 3.32Å; A380-N384 PolarHBondContact O-N 3.24Å
381M69.9Low63.5Low9 Ų993.5 Ų93.54%0.04447%0.469CS..Hα-helixtrans-64.1-40.9174.4-70.5-63.8-68.400112.4I296 L361 A365 F377 A378 K379 N384 A385I296-M381 HydrophobicContact CB-CE 4.28Å; I296-M381 HydrophobicContact CD1-CE 4.05Å; I296-M381 HydrophobicContact CG2-CE 3.28Å; L361-M381 HydrophobicContact CD2-CE 3.95Å; L361-M381 HydrophobicContact CD2-SD 3.89Å; A365-M381 HydrophobicContact CB-CG 4.34Å; A365-M381 HydrophobicContact CB-SD 4.17Å; F377-M381 HydrophobicContact CD1-CG 4.38Å; F377-M381 HydrophobicContact CD2-CG 4.47Å; F377-M381 HydrophobicContact CE1-CG 4.14Å; F377-M381 HydrophobicContact CE2-CG 4.21Å; F377-M381 HydrophobicContact CZ-CG 4.04Å; F377-M381 HydrophobicContact CZ-SD 4.48Å; F377-M381 WeakPolarHBondContact O-CB 3.45Å; F377-M381 VanDerWaalsContact O-CG 3.23Å; F377-M381 WeakPolarHBondContact O-CG 3.23Å; F377-M381 PolarHBondContact O-N 3.45Å; A378-M381 PolarHBondContact O-N 2.75Å; K379-M381 VanDerWaalsContact C-N 3.34Å; M381-N384 PolarHBondContact O-N 3.12Å; M381-A385 WeakPolarHBondContact O-CB 3.34Å; M381-A385 PolarHBondContact O-N 2.94Å
382Q69.3Low61.4Low110 Ų11089.8 Ų89.851%0.51447%0.472SS..Hα-helixtrans-68.2-38.4177.7-169.7173.81900112.8V291 A378 K379V291-Q382 HydrophobicContact CG1-CB 3.84Å; V291-Q382 HydrophobicContact CG1-CG 4.2Å; A378-Q382 VanDerWaalsContact O-CB 3.31Å; A378-Q382 WeakPolarHBondContact O-CB 3.42Å; A378-Q382 PolarHBondContact O-N 2.9Å; K379-Q382 PolarHBondContact O-N 2.98Å
383N70.9Confident59.7Low104 Ų10496.8 Ų96.856%0.55651%0.506SS*.Hα-helixtrans-71.1-35.9177.2-80.4-20.1000111.8K379 A380K379-N383 WeakPolarHBondContact O-CB 3.02Å; K379-N383 PolarHBondContact O-N 3.24Å; A380-N383 PolarHBondContact O-N 2.99Å
384N62Low58.2Low82 Ų8299.4 Ų99.444%0.43953%0.525SS..Hα-helixtrans-86.6-20.9-179.4-151.7-68.6000113.2P362 A380 M381 K386P362-N384 HydrophobicContact CG-CB 3.87Å; A380-N384 WeakPolarHBondContact O-CB 3.32Å; A380-N384 PolarHBondContact O-N 3.24Å; M381-N384 PolarHBondContact O-N 3.12Å; N384-K386 CarbonylContact O-C 3.57Å; N384-K386 VanDerWaalsContact O-C 3.29Å; N384-K386 PolarHBondContact O-N 3.13Å; N384-K386 VanDerWaalsContact O-N 3.11Å; N384-K386 VanDerWaalsContact O-O 3.13Å
385A58.8Low56.7Low52 Ų52107.3 Ų107.343%0.4356%0.558SS.*THydrogen-bonded Turntrans-64.3-10.1169.700000113.3I296 M381 P387I296-A385 HydrophobicContact CD1-CB 4.5Å; M381-A385 WeakPolarHBondContact O-CB 3.34Å; M381-A385 PolarHBondContact O-N 2.94Å; A385-P387 WeakPolarHBondContact O-CD 3.5Å
386K51.2Low55.3Low162 Ų162110 Ų11070%0.70458%0.575SS**SBendtrans-8399.5155.6-70.9172.2-178.9173.20106.4N384 E388N384-K386 CarbonylContact O-C 3.57Å; N384-K386 VanDerWaalsContact O-C 3.29Å; N384-K386 PolarHBondContact O-N 3.13Å; N384-K386 VanDerWaalsContact O-N 3.11Å; N384-K386 VanDerWaalsContact O-O 3.13Å; K386-E388 PolarHBondContact O-N 3.04Å
387P44.5Very low53.6Low105 Ų105116.1 Ų116.168%0.68260%0.595SS**  trans-55.3134.1-179.423.8-33.2000109.1A385 Q389A385-P387 WeakPolarHBondContact O-CD 3.5Å; P387-Q389 PolarHBondContact O-N 2.98Å
388E43.5Very low52.4Low182 Ų182125 Ų12585%0.8563%0.634SS**SBendtrans-49.7131164.5-77-173.8114.800108.5K386K386-E388 PolarHBondContact O-N 3.04Å
389Q44.6Very low50.9Low187 Ų187131.2 Ų131.287%0.87467%0.666SS**  trans9270.8-174-55.1-177.6-3.500116.9P387P387-Q389 PolarHBondContact O-N 2.98Å
390K38.8Very low49.7Very low211 Ų211133.7 Ų133.792%0.91768%0.679SS**  trans-15242.5138.5-123.5179.6-170.4178.10113.7
391E40.4Very low48.3Very low201 Ų201142.2 Ų142.294%0.93972%0.717SS**SBendtrans-124.3108.3157.2-85.8-174155.100107.8
392G34Very low47.3Very low69 Ų69151.2 Ų151.271%0.71176%0.759SS**  trans104.371.616800000116.6T394G392-T394 PolarHBondContact O-N 2.75Å
393D38.1Very low46.1Very low165 Ų165153.3 Ų153.388%0.88277%0.774SS**  trans-70.375.8154.3-169.8-101.5000108.7
394T44.6Very low45.4Very low134 Ų134156.4 Ų156.482%0.82279%0.787SS**  trans-161.960.1163.1-19.20000111.8G392G392-T394 PolarHBondContact O-N 2.75Å
395K38.7Very low44.6Very low186 Ų186158.2 Ų158.281%0.80981%0.806SS**  trans-15348.9157.1-141.7175.5179.6-178.80114.1K397K395-K397 PolarHBondContact O-N 3.32Å; K395-K397 VanDerWaalsContact O-N 3.08Å
396D41.9Very low43.8Very low165 Ų165164.3 Ų164.388%0.88283%0.83SS**  trans-74.281147.6-100.1-52.7000108.2
397K41Very low43.8Very low166 Ų166167.8 Ų167.872%0.72286%0.857SS**  trans-102.393.7153.9-98-167.4174.6-171.90107.3K395 D399K395-K397 PolarHBondContact O-N 3.32Å; K395-K397 VanDerWaalsContact O-N 3.08Å; K397-D399 PolarHBondContact O-N 3.1Å; K397-D399 VanDerWaalsContact O-N 3.13Å
398K49.1Very low43.7Very low188 Ų188170.9 Ų170.982%0.81787%0.866SS**  trans-56.599.9157.5-163.1-175.6-164.6-174.60107.5
399D41Very low43.8Very low137 Ų137170.3 Ų170.373%0.73387%0.866SS**  trans-117.5114159.7-78.6-40.4000106.6K397 E401K397-D399 PolarHBondContact O-N 3.1Å; K397-D399 VanDerWaalsContact O-N 3.13Å; D399-E401 PolarHBondContact O-N 3.06Å
400E48.8Very low43.7Very low181 Ų181169.4 Ų169.485%0.84687%0.866SS**  trans-59.8118.4166.5-67.7172.6147.200108.5
401E43.8Very low44Very low190 Ų190166.9 Ų166.989%0.88886%0.863SS**  trans-140.6113.1149.4-76.7-163155.300109.6D399 D403D399-E401 PolarHBondContact O-N 3.06Å; E401-D403 PolarHBondContact O-N 3.14Å
402E49.2Very low44.2Very low199 Ų199164.8 Ų164.893%0.9386%0.858SS**  trans-61.2114.2156.5-58.4174.915700108.2
403D42.5Very low44.9Very low154 Ų154171.2 Ų171.282%0.82487%0.868SS**  trans-167.5149.8137.1-146.3-5.7000112.3E401E401-D403 PolarHBondContact O-N 3.14Å
404M56.3Low45.4Very low169 Ų169171.6 Ų171.683%0.83387%0.867SS**  trans-63129.6178.5-58.9177.2-179.800111.9
405S46.9Very low45.5Very low119 Ų119174.5 Ų174.583%0.83287%0.87SS**  trans-162.995.2155.4-76.90000110.9
406L41.8Very low46Very low180 Ų180173.6 Ų173.694%0.94288%0.875SS**  trans-135.692.9152.4-82.1173.9000107.3
407D49.9Very low46.4Very low235 Ų235174.4 Ų174.4100%1.25788%0.875SS**  -125.90129.5-166.570.1000107.8

Retrieved 407 of 407 residues in 1228.5 ms (Link to these results)

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