A0A087YHX1_POEFO Loading...

DIS3-like exonuclease 1

AlphaFold DB , UniProt , Accession A0A087YHX1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,050 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
1M72Confident77.3Confident139 Ų13995.7 Ų95.769%0.68546%0.463SS*.  0115.20-170.2-175-63.300107.7Y25 L26 R27M1-Y25 HydrophobicContact CG-CD1 4.2Å; M1-Y25 HydrophobicContact SD-CD1 3.67Å; M1-Y25 HydrophobicContact SD-CG 4.06Å; M1-L26 CarbonylContact C-O 3.57Å; M1-L26 WeakPolarHBondContact CA-O 3.3Å; M1-L26 VanDerWaalsContact CG-O 3.25Å; M1-L26 WeakPolarHBondContact CG-O 3.36Å; M1-R27 HydrophobicContact CE-CG 4.1Å; M1-R27 HydrophobicContact CG-CG 4.17Å
2I83.4Confident76.6Confident78 Ų7891.2 Ų91.240%0.445%0.448SS..EExtended strand (participates in β ladder)trans-96.1129.9-177.1-60.6178.8000108.8L26 E121I2-L26 HydrophobicContact CB-CB 4.26Å; I2-L26 PolarHBondContact N-O 3.32Å; I2-L26 PolarHBondContact O-N 3.18Å; I2-E121 HydrophobicContact CD1-CG 4.08Å; I2-E121 WeakPolarHBondContact CD1-OE1 3.18Å; I2-E121 WeakPolarHBondContact CD1-OE2 3.27Å
3K84.6Confident75Confident112 Ų11294 Ų9449%0.48748%0.483SS..EExtended strand (participates in β ladder)trans-89.6123.9173.9-174.5-176.6-178.4-179.80109.4E23 Y25K3-E23 WeakPolarHBondContact CE-OE1 3.49Å; K3-E23 IonicContact NZ-OE1 2.7Å; K3-E23 PolarHBondContact NZ-OE1 2.66Å; K3-Y25 HydrophobicContact CB-CD1 4.42Å; K3-Y25 HydrophobicContact CB-CE1 4.3Å; K3-Y25 HydrophobicContact CD-CE1 4.44Å; K3-Y25 HydrophobicContact CG-CE1 4.13Å
4T81.7Confident74.6Confident42 Ų42102.8 Ų102.826%0.25851%0.507SS..EExtended strand (participates in β ladder)trans-123.5163.2168.7-177.10000110.3H24 L26 Y124T4-H24 HydrophobicContact CG2-CB 3.89Å; T4-H24 VanDerWaalsContact CG2-O 3.31Å; T4-H24 WeakPolarHBondContact CG2-O 3.33Å; T4-H24 PolarHBondContact N-O 2.93Å; T4-H24 PolarHBondContact O-N 3.15Å; T4-H24 VanDerWaalsContact O-O 3.09Å; T4-L26 HydrophobicContact CG2-CD1 4.24Å; T4-L26 HydrophobicContact CG2-CG 4.18Å; T4-Y124 HydrophobicContact CG2-CE1 4.38Å
5E81.8Confident74.2Confident120 Ų12099.5 Ų99.556%0.56151%0.51SS*.EExtended strand (participates in β ladder)trans-114.6122-177.6-67.5-173.8172.300110.6V21E5-V21 HydrophobicContact CB-CG1 4.06Å; E5-V21 HydrophobicContact CG-CG1 4.23Å
6K77.4Confident74.4Confident59 Ų59105.1 Ų105.126%0.25752%0.523SS..EExtended strand (participates in β ladder)trans-97107.6172.8-165.9168.3-173166.60109L8 R22 E118K6-L8 HydrophobicContact CG-CD2 4.44Å; K6-R22 PolarHBondContact N-O 3.45Å; K6-R22 PolarHBondContact O-N 3.21Å; K6-E118 IonicContact NZ-OE2 3.19Å
7V76.8Confident74.5Confident58 Ų58109.8 Ų109.835%0.35254%0.539SS..EExtended strand (participates in β ladder)trans-89.4120.9177.4-173.70000109.8R19 V21V7-R19 HydrophobicContact CG1-CG 3.77Å; V7-V21 HydrophobicContact CG2-CG2 4.31Å
8L72.7Confident74.9Confident50 Ų50107.3 Ų107.326%0.26253%0.531SS..EExtended strand (participates in β ladder)trans-114.3130.6177.6-61.5172000109.8K6 L10 V20K6-L8 HydrophobicContact CG-CD2 4.44Å; L8-L10 HydrophobicContact CB-CD2 4.42Å; L8-L10 HydrophobicContact CB-CG 4.29Å; L8-V20 HydrophobicContact CB-CB 4.38Å; L8-V20 PolarHBondContact N-O 3.46Å; L8-V20 PolarHBondContact O-N 3.15Å
9H75.6Confident75.3Confident150 Ų150110.4 Ų110.469%0.69454%0.536SS*.EExtended strand (participates in β ladder)trans-99.999.8171.9-65.5-78000109
10L72.9Confident75.6Confident83 Ų83107 Ų10744%0.43552%0.522SS..EExtended strand (participates in β ladder)trans-101.4151.4-178.5-58.5-179.6000110.3L8 K17 V18 V20L8-L10 HydrophobicContact CB-CD2 4.42Å; L8-L10 HydrophobicContact CB-CG 4.29Å; L10-K17 CarbonylContact O-C 3.53Å; L10-K17 WeakPolarHBondContact O-CA 3.42Å; L10-V18 PolarHBondContact N-O 3.06Å; L10-V18 PolarHBondContact O-N 2.77Å; L10-V20 HydrophobicContact CD1-CB 4.44Å; L10-V20 HydrophobicContact CD1-CG2 3.88Å; L10-V20 HydrophobicContact CG-CG2 4.39Å
11K71.9Confident75.9Confident162 Ų162105.1 Ų105.170%0.70452%0.517SS*.EExtended strand (participates in β ladder)trans-97.2128.4164.7-73.8-178.3-179.6176.70108.1R16K11-R16 CarbonylContact C-O 3.58Å; K11-R16 WeakPolarHBondContact CA-O 3.45Å
12S68.7Low76.5Confident41 Ų41105.7 Ų105.729%0.28751%0.511SS..PPolyproline II helixtrans-67.4164.8173.176.70000110.8R14 G15 R16S12-R14 PolarHBondContact O-N 3Å; S12-R14 PolarHBondContact OG-N 3.03Å; S12-G15 PolarHBondContact O-N 2.9Å; S12-R16 PolarHBondContact N-O 3.24Å; S12-R16 PolarHBondContact OG-N 2.68Å
13S55.4Low76.7Confident128 Ų128107.3 Ų107.390%0.89552%0.517SS*.THydrogen-bonded Turntrans-57.1-15.1172.553.10000113.9
14R70.3Confident76.7Confident217 Ų217102.8 Ų102.882%0.81950%0.498SS*.THydrogen-bonded Turntrans-102.314174.5-58.9-176-178.2179.50.8113.3S12 R16S12-R14 PolarHBondContact O-N 3Å; S12-R14 PolarHBondContact OG-N 3.03Å; R14-R16 VanDerWaalsContact C-N 3.29Å; R14-R16 PolarHBondContact O-N 3.39Å
15G68.1Low77Confident54 Ų54105.1 Ų105.156%0.55750%0.502SS*.SBendtrans76.61.717700000116.1S12S12-G15 PolarHBondContact O-N 2.9Å
16R76.9Confident77.2Confident188 Ų188100 Ų10071%0.70948%0.479SS*.  trans-75.3133.9177.7-66.5-175.6179.7178.1-1.6110.4K11 S12 R14 V18K11-R16 CarbonylContact C-O 3.58Å; K11-R16 WeakPolarHBondContact CA-O 3.45Å; S12-R16 PolarHBondContact N-O 3.24Å; S12-R16 PolarHBondContact OG-N 2.68Å; R14-R16 VanDerWaalsContact C-N 3.29Å; R14-R16 PolarHBondContact O-N 3.39Å; R16-V18 PolarHBondContact O-N 2.9Å
17K76.6Confident77.7Confident185 Ų185103.5 Ų103.580%0.80449%0.491SS*.EExtended strand (participates in β ladder)trans-72121.6171.6-66.3-178.1-178.21780108.9L10L10-K17 CarbonylContact O-C 3.53Å; L10-K17 WeakPolarHBondContact O-CA 3.42Å
18V80.9Confident77.9Confident65 Ų65106.2 Ų106.239%0.39450%0.5SS..EExtended strand (participates in β ladder)trans-116.5126.5177.3-177.20000108L10 R16 V20L10-V18 PolarHBondContact N-O 3.06Å; L10-V18 PolarHBondContact O-N 2.77Å; R16-V18 PolarHBondContact O-N 2.9Å; V18-V20 HydrophobicContact CG1-CG2 3.98Å
19R82.7Confident78.2Confident166 Ų166113.4 Ų113.463%0.62652%0.523SS*.EExtended strand (participates in β ladder)trans-88.4113.4170.3-178179.6168.9-169-5.2107.8V7 V21V7-R19 HydrophobicContact CG1-CG 3.77Å; R19-V21 HydrophobicContact CG-CG2 4.5Å
20V81.2Confident78.7Confident43 Ų43106.6 Ų106.626%0.26149%0.492SS..EExtended strand (participates in β ladder)trans-103.9120.4175.4179.90000107.8L8 L10 V18 R22L8-V20 HydrophobicContact CB-CB 4.38Å; L8-V20 PolarHBondContact N-O 3.46Å; L8-V20 PolarHBondContact O-N 3.15Å; L10-V20 HydrophobicContact CD1-CB 4.44Å; L10-V20 HydrophobicContact CD1-CG2 3.88Å; L10-V20 HydrophobicContact CG-CG2 4.39Å; V18-V20 HydrophobicContact CG1-CG2 3.98Å; V20-R22 HydrophobicContact CG1-CG 4.08Å
21V82.5Confident79.4Confident67 Ų67104.5 Ų104.541%0.40648%0.484SS..EExtended strand (participates in β ladder)trans-100.6122.1171.7-1750000107E5 V7 R19E5-V21 HydrophobicContact CB-CG1 4.06Å; E5-V21 HydrophobicContact CG-CG1 4.23Å; V7-V21 HydrophobicContact CG2-CG2 4.31Å; R19-V21 HydrophobicContact CG-CG2 4.5Å
22R83.5Confident80Confident152 Ų15296.8 Ų96.857%0.57445%0.45SS*.EExtended strand (participates in β ladder)trans-110.1134.1173.3-67.8-172.4176.5-178.6-1.3109.2K6 V20K6-R22 PolarHBondContact N-O 3.45Å; K6-R22 PolarHBondContact O-N 3.21Å; V20-R22 HydrophobicContact CG1-CG 4.08Å
23E88Confident81Confident111 Ų11196.9 Ų96.952%0.51945%0.445SS..EExtended strand (participates in β ladder)trans-68.8132167.8-57.5-179.5144.900108.4K3 Y25K3-E23 WeakPolarHBondContact CE-OE1 3.49Å; K3-E23 IonicContact NZ-OE1 2.7Å; K3-E23 PolarHBondContact NZ-OE1 2.66Å; E23-Y25 HydrophobicContact CB-CD2 4.43Å; E23-Y25 HydrophobicContact CB-CE2 3.68Å; E23-Y25 PolarHBondContact OE2-OH 2.7Å
24H84.3Confident82.5Confident18 Ų1890.9 Ų90.98%0.08340%0.403CS..EExtended strand (participates in β ladder)trans-126.8119.8178.8-173.377.5000107.8T4 E118 F119 Y124T4-H24 HydrophobicContact CG2-CB 3.89Å; T4-H24 VanDerWaalsContact CG2-O 3.31Å; T4-H24 WeakPolarHBondContact CG2-O 3.33Å; T4-H24 PolarHBondContact N-O 2.93Å; T4-H24 PolarHBondContact O-N 3.15Å; T4-H24 VanDerWaalsContact O-O 3.09Å; H24-E118 PolarHBondContact CE1-O 3.06Å; H24-E118 VanDerWaalsContact CE1-O 3.31Å; H24-E118 PolarHBondContact NE2-O 2.78Å; H24-F119 AromaticContact CE1-CD1 3.52Å; H24-F119 AromaticContact CE1-CE1 3.48Å; H24-F119 VanDerWaalsContact CE1-CE1 3.48Å; H24-F119 WeakPolarHBondContact CE1-CE1 3.47Å; H24-F119 AromaticContact ND1-CE1 3.77Å; H24-Y124 AromaticContact CD2-CE2 3.93Å; H24-Y124 AromaticContact NE2-CD2 3.84Å; H24-Y124 AromaticContact NE2-CE2 3.54Å
25Y88.1Confident83.3Confident90 Ų9083.8 Ų83.835%0.35339%0.391SS..EExtended strand (participates in β ladder)trans-105.8119.5-172.1-67.4-90.1000109.8M1 K3 E23M1-Y25 HydrophobicContact CG-CD1 4.2Å; M1-Y25 HydrophobicContact SD-CD1 3.67Å; M1-Y25 HydrophobicContact SD-CG 4.06Å; K3-Y25 HydrophobicContact CB-CD1 4.42Å; K3-Y25 HydrophobicContact CB-CE1 4.3Å; K3-Y25 HydrophobicContact CD-CE1 4.44Å; K3-Y25 HydrophobicContact CG-CE1 4.13Å; E23-Y25 HydrophobicContact CB-CD2 4.43Å; E23-Y25 HydrophobicContact CB-CE2 3.68Å; E23-Y25 PolarHBondContact OE2-OH 2.7Å
26L87.3Confident84Confident14 Ų1483.2 Ų83.27%0.07338%0.375CS..EExtended strand (participates in β ladder)trans-92.2135174-56177.4000109.7M1 I2 T4 E118 F119 E121 Y124M1-L26 CarbonylContact C-O 3.57Å; M1-L26 WeakPolarHBondContact CA-O 3.3Å; M1-L26 VanDerWaalsContact CG-O 3.25Å; M1-L26 WeakPolarHBondContact CG-O 3.36Å; I2-L26 HydrophobicContact CB-CB 4.26Å; I2-L26 PolarHBondContact N-O 3.32Å; I2-L26 PolarHBondContact O-N 3.18Å; T4-L26 HydrophobicContact CG2-CD1 4.24Å; T4-L26 HydrophobicContact CG2-CG 4.18Å; L26-E118 WeakPolarHBondContact CD2-O 3.27Å; L26-F119 CarbonylContact C-O 3.56Å; L26-F119 WeakPolarHBondContact CA-O 3.49Å; L26-E121 HydrophobicContact CB-CB 4.27Å; L26-Y124 HydrophobicContact CD1-CD1 3.67Å; L26-Y124 HydrophobicContact CD1-CE1 4.27Å; L26-Y124 HydrophobicContact CD1-CG 4.23Å; L26-Y124 HydrophobicContact CD2-CD1 3.78Å; L26-Y124 HydrophobicContact CD2-CD2 3.98Å; L26-Y124 HydrophobicContact CD2-CE1 4.38Å; L26-Y124 HydrophobicContact CD2-CG 3.54Å; L26-Y124 HydrophobicContact CG-CD1 4.35Å
27R87.4Confident84.4Confident132 Ų13275.7 Ų75.750%0.49835%0.351SS..BIsolated β-bridgetrans-121.8140-175.8-56.7-178.1-176.8-1720.2108.9M1 V30 F119 Q120 E121M1-R27 HydrophobicContact CE-CG 4.1Å; M1-R27 HydrophobicContact CG-CG 4.17Å; R27-V30 HydrophobicContact CB-CG2 4.05Å; R27-F119 PolarHBondContact N-O 3.39Å; R27-Q120 WeakPolarHBondContact O-CA 3.39Å; R27-E121 PolarHBondContact O-N 3.39Å; R27-E121 VanDerWaalsContact O-N 3.08Å
28E81.6Confident84.4Confident115 Ų11573.9 Ų73.954%0.53735%0.345SS..SBendtrans-73.9-45.4171.1-68.2171.9-164.300110.5V30 Q120 E121E28-V30 PolarHBondContact O-N 3.17Å; E28-Q120 PolarHBondContact O-NE2 3.49Å; E28-E121 WeakPolarHBondContact CG-OE2 3.24Å
29R78.9Confident83.9Confident200 Ų20073.9 Ų73.976%0.75535%0.352SS*.  trans-90.699179.7-61.9-174.4-176.6-172.6-1.5110.5
30V85.2Confident83.3Confident7 Ų768.8 Ų68.84%0.04235%0.351CS..  trans-119.2139169.2177.10000107.4R27 E28 C32 C41 F115 A116 Q120R27-V30 HydrophobicContact CB-CG2 4.05Å; E28-V30 PolarHBondContact O-N 3.17Å; V30-C32 PolarHBondContact O-N 3.25Å; V30-C41 PolarHBondContact O-SG 3.32Å; V30-F115 HydrophobicContact CB-CE2 4.5Å; V30-F115 HydrophobicContact CG1-CD2 4.43Å; V30-F115 HydrophobicContact CG1-CE2 4.05Å; V30-A116 HydrophobicContact CG1-CB 3.91Å; V30-Q120 HydrophobicContact CB-CB 4.19Å; V30-Q120 HydrophobicContact CB-CG 3.97Å; V30-Q120 HydrophobicContact CG2-CB 3.75Å; V30-Q120 HydrophobicContact CG2-CG 3.82Å
31P86.9Confident83.2Confident40 Ų4067.7 Ų67.726%0.2635%0.345SS..  trans-57.7127.1177.8-23.734.4000111F33 E42 N43P31-F33 HydrophobicContact CB-CD1 4.43Å; P31-F33 HydrophobicContact CB-CD2 4.04Å; P31-F33 HydrophobicContact CB-CE1 4.02Å; P31-F33 HydrophobicContact CB-CE2 3.6Å; P31-F33 HydrophobicContact CB-CG 4.43Å; P31-F33 HydrophobicContact CB-CZ 3.59Å; P31-F33 HydrophobicContact CG-CE2 4.49Å; P31-F33 HydrophobicContact CG-CZ 4.26Å; P31-E42 WeakPolarHBondContact CG-O 3.37Å; P31-N43 WeakPolarHBondContact CB-OD1 3.4Å
32C85.9Confident82.7Confident0 Ų072.4 Ų72.40%036%0.363CS..  trans-92.2-14.3176.263.50000112.2V30 S34 C37 N43 W151 Y152 H155V30-C32 PolarHBondContact O-N 3.25Å; C32-S34 PolarHBondContact O-N 3.25Å; C32-S34 VanDerWaalsContact O-N 3.1Å; C32-C37 WeakPolarHBondContact SG-CB 3.45Å; C32-C37 PolarHBondContact SG-SG 3Å; C32-N43 PolarHBondContact N-OD1 3.13Å; C32-W151 HydrophobicContact CB-CH2 3.8Å; C32-W151 HydrophobicContact CB-CZ3 3.88Å; C32-Y152 HydrophobicContact CB-CE1 4.17Å; C32-Y152 WeakPolarHBondContact O-CE1 3.45Å; C32-Y152 PolarHBondContact O-OH 2.84Å; C32-H155 PolarHBondContact SG-NE2 3.44Å
33F88.6Confident82.2Confident43 Ų4367 Ų6719%0.18935%0.345CS..  trans47.941-179.8-56.8-74.7000113.2P31 N43 D44 K48 V49 L50 V113P31-F33 HydrophobicContact CB-CD1 4.43Å; P31-F33 HydrophobicContact CB-CD2 4.04Å; P31-F33 HydrophobicContact CB-CE1 4.02Å; P31-F33 HydrophobicContact CB-CE2 3.6Å; P31-F33 HydrophobicContact CB-CG 4.43Å; P31-F33 HydrophobicContact CB-CZ 3.59Å; P31-F33 HydrophobicContact CG-CE2 4.49Å; P31-F33 HydrophobicContact CG-CZ 4.26Å; F33-N43 HydrophobicContact CD1-CB 4.37Å; F33-N43 PolarHBondContact N-OD1 2.79Å; F33-D44 HydrophobicContact CE1-CB 4.43Å; F33-K48 WeakPolarHBondContact CD1-O 3.27Å; F33-V49 CarbonylContact O-C 3.56Å; F33-V49 WeakPolarHBondContact O-CA 3.45Å; F33-L50 PolarHBondContact O-N 3.1Å; F33-V113 HydrophobicContact CB-CB 3.98Å; F33-V113 HydrophobicContact CB-CG1 3.69Å; F33-V113 HydrophobicContact CB-CG2 4.32Å; F33-V113 HydrophobicContact CG-CG1 4.47Å
34S87.8Confident81.2Confident2 Ų266.2 Ų66.21%0.01435%0.345CS..BIsolated β-bridgetrans-119.1137.9173.3172.90000110.6C32 L36 C37 Y57C32-S34 PolarHBondContact O-N 3.25Å; C32-S34 VanDerWaalsContact O-N 3.1Å; S34-L36 PolarHBondContact O-N 3.31Å; S34-L36 PolarHBondContact OG-N 3.21Å; S34-C37 WeakPolarHBondContact O-CB 3.33Å; S34-C37 PolarHBondContact O-N 2.85Å; S34-Y57 WeakPolarHBondContact OG-CE2 3.39Å; S34-Y57 PolarHBondContact OG-OH 3.13Å
35A85.9Confident79.8Confident67 Ų6771.3 Ų71.355%0.55438%0.379SS*.THydrogen-bonded Turntrans-67.1-19.5178.300000112.2C37 V49 L50A35-C37 VanDerWaalsContact C-N 3.31Å; A35-V49 HydrophobicContact CB-CG1 3.94Å; A35-L50 WeakPolarHBondContact CB-O 3.39Å; A35-L50 PolarHBondContact N-O 3.27Å
36L84.6Confident78.3Confident43 Ų4374.6 Ų74.623%0.22540%0.403CS..THydrogen-bonded Turntrans-88.35.6178.8-59.5176.8000113S34 Q38 L156 M159 M160S34-L36 PolarHBondContact O-N 3.31Å; S34-L36 PolarHBondContact OG-N 3.21Å; L36-Q38 PolarHBondContact O-N 3.42Å; L36-L156 HydrophobicContact CB-CD2 4.17Å; L36-M159 HydrophobicContact CB-CE 4.32Å; L36-M159 WeakPolarHBondContact O-CE 3.47Å; L36-M160 HydrophobicContact CD1-CB 4.18Å; L36-M160 HydrophobicContact CD1-CE 3.42Å; L36-M160 VanDerWaalsContact CD1-CE 3.42Å
37C84.1Confident77.2Confident29 Ų2975 Ų7520%0.19641%0.411CS..  trans-66.9115.3-179.6-176.60000111.8C32 S34 A35 H155C32-C37 WeakPolarHBondContact SG-CB 3.45Å; C32-C37 PolarHBondContact SG-SG 3Å; S34-C37 WeakPolarHBondContact O-CB 3.33Å; S34-C37 PolarHBondContact O-N 2.85Å; A35-C37 VanDerWaalsContact C-N 3.31Å; C37-H155 PolarHBondContact SG-NE2 3.08Å
38Q77.1Confident76.8Confident147 Ų14771.2 Ų71.269%0.68740%0.398SS*.  trans-94.1-13.6174.2-67.5179.4-0.300113.3L36 G40 M159L36-Q38 PolarHBondContact O-N 3.42Å; Q38-G40 PolarHBondContact O-N 3.01Å; Q38-M159 VanDerWaalsContact CD-CE 3.49Å; Q38-M159 HydrophobicContact CG-CE 3.79Å; Q38-M159 PolarHBondContact NE2-SD 3.44Å
39A70.5Confident76.9Confident65 Ų6568.2 Ų68.254%0.53739%0.387SS..SBendtrans-81.22.3-174.100000114.2H155A39-H155 VanDerWaalsContact CB-CE1 3.42Å; A39-H155 WeakPolarHBondContact CB-CE1 3.48Å
40G69Low77.4Confident59 Ų5958.7 Ų58.761%0.60835%0.352SS*.  trans63.240.8179.900000113.3Q38 E42Q38-G40 PolarHBondContact O-N 3.01Å; G40-E42 PolarHBondContact O-N 2.94Å
41C79.9Confident77.4Confident21 Ų2159.8 Ų59.814%0.14236%0.359CS..  trans-58.8135.3173.3-79.30000110.6V30 N43 H155V30-C41 PolarHBondContact O-SG 3.32Å; C41-N43 PolarHBondContact O-N 2.78Å; C41-H155 PolarHBondContact SG-CE1 3.45Å; C41-H155 PolarHBondContact SG-NE2 3.39Å
42E72.3Confident77.1Confident166 Ų16659.3 Ų59.378%0.77636%0.361SS*.  trans-7070.1172.5-69.5178.2-177.200109.9P31 G40P31-E42 WeakPolarHBondContact CG-O 3.37Å; G40-E42 PolarHBondContact O-N 2.94Å
43N73.6Confident77.1Confident38 Ų3866 Ų6620%0.20340%0.397CS..  trans-66.3141.6168.5-62.7-30.2000108P31 C32 F33 C41 P45P31-N43 WeakPolarHBondContact CB-OD1 3.4Å; C32-N43 PolarHBondContact N-OD1 3.13Å; F33-N43 HydrophobicContact CD1-CB 4.37Å; F33-N43 PolarHBondContact N-OD1 2.79Å; C41-N43 PolarHBondContact O-N 2.78Å; N43-P45 WeakPolarHBondContact O-CD 3.22Å
44D66.3Low77Confident95 Ų9565.2 Ų65.251%0.50840%0.395SS..  trans-57.1122.8174.8-169.3-14.8000108.3F33 D46 G47F33-D44 HydrophobicContact CE1-CB 4.43Å; D44-D46 PolarHBondContact O-N 3.22Å; D44-D46 VanDerWaalsContact O-N 3.16Å; D44-D46 PolarHBondContact OD1-N 3.12Å; D44-G47 WeakPolarHBondContact O-CA 3.44Å; D44-G47 PolarHBondContact O-N 2.67Å
45P55.7Low77Confident125 Ų12570.5 Ų70.581%0.81243%0.427SS*.THydrogen-bonded Turntrans-60.4-23.7-176.519.5-30.5000113.4N43N43-P45 WeakPolarHBondContact O-CD 3.22Å
46D55.1Low77.2Confident158 Ų15867.7 Ų67.785%0.84540%0.402SS*.THydrogen-bonded Turntrans-101.24.6173.6-63.1-38.4000112.6D44D44-D46 PolarHBondContact O-N 3.22Å; D44-D46 VanDerWaalsContact O-N 3.16Å; D44-D46 PolarHBondContact OD1-N 3.12Å
47G63.8Low77.7Confident24 Ų2465.6 Ų65.625%0.24739%0.392CS..SBendtrans-85.9148.9-175.900000113.5D44D44-G47 WeakPolarHBondContact O-CA 3.44Å; D44-G47 PolarHBondContact O-N 2.67Å
48K79.3Confident78.1Confident51 Ų5164.4 Ų64.422%0.22238%0.383CS..  trans-65.3137175.1-172.8-175.4-145.6163.30111.5F33 L105 D107 H110 C112F33-K48 WeakPolarHBondContact CD1-O 3.27Å; K48-L105 PolarHBondContact NZ-O 2.84Å; K48-D107 WeakPolarHBondContact CE-O 3.4Å; K48-D107 PolarHBondContact NZ-O 3.46Å; K48-H110 WeakPolarHBondContact CE-O 3.31Å; K48-H110 PolarHBondContact NZ-O 3.33Å; K48-C112 WeakPolarHBondContact CD-O 3.39Å; K48-C112 PolarHBondContact NZ-O 3.41Å
49V85.4Confident79Confident52 Ų5257.4 Ų57.432%0.31535%0.35SS..  trans-123.3139.3178.2179.60000109.3F33 A35F33-V49 CarbonylContact O-C 3.56Å; F33-V49 WeakPolarHBondContact O-CA 3.45Å; A35-V49 HydrophobicContact CB-CG1 3.94Å
50L87.6Confident80.1Confident0 Ų054.3 Ų54.30%033%0.325CS..BIsolated β-bridgetrans-68.4134.6175.5-67.7-177.9000111.1F33 A35 Y57 V81 D111 V113F33-L50 PolarHBondContact O-N 3.1Å; A35-L50 WeakPolarHBondContact CB-O 3.39Å; A35-L50 PolarHBondContact N-O 3.27Å; L50-Y57 HydrophobicContact CB-CE1 3.94Å; L50-Y57 HydrophobicContact CB-CE2 4.18Å; L50-Y57 WeakPolarHBondContact CB-OH 3.26Å; L50-Y57 HydrophobicContact CD1-CD1 4.2Å; L50-Y57 HydrophobicContact CD1-CD2 3.89Å; L50-Y57 HydrophobicContact CD1-CE1 4.15Å; L50-Y57 HydrophobicContact CD1-CE2 3.82Å; L50-Y57 HydrophobicContact CD1-CG 4.09Å; L50-Y57 PolarHBondContact O-OH 3.32Å; L50-V81 HydrophobicContact CD1-CG2 3.58Å; L50-D111 HydrophobicContact CD2-CB 4.38Å; L50-D111 WeakPolarHBondContact CD2-O 3.47Å; L50-V113 HydrophobicContact CD1-CG2 3.72Å; L50-V113 HydrophobicContact CD2-CG1 3.85Å; L50-V113 HydrophobicContact CD2-CG2 4.2Å; L50-V113 HydrophobicContact CG-CB 4.43Å; L50-V113 HydrophobicContact CG-CG1 3.76Å; L50-V113 HydrophobicContact CG-CG2 3.81Å
51P85.2Confident81.1Confident30 Ų3051.5 Ų51.520%0.19530%0.296CS..  trans-61.6153.7177.4-18.429.3000112.8D53 L54 Y57 D111P51-D53 WeakPolarHBondContact CB-OD1 3.12Å; P51-L54 HydrophobicContact CB-CD1 4.42Å; P51-L54 HydrophobicContact CB-CG 4.2Å; P51-L54 HydrophobicContact CG-CD1 4.38Å; P51-Y57 WeakPolarHBondContact O-CE1 3.46Å; P51-Y57 PolarHBondContact O-OH 2.76Å; P51-D111 HydrophobicContact CG-CB 4.31Å
52G82.3Confident81.5Confident30 Ų3050.5 Ų50.531%0.30929%0.289SS..SBendtrans-97-10.1-179.300000114.7L54G52-L54 VanDerWaalsContact C-N 3.34Å
53D85.1Confident82.2Confident141 Ų14146.4 Ų46.475%0.75427%0.27SS*.SBendtrans-86.6-2.3179.958.1-33.5000113.6P51P51-D53 WeakPolarHBondContact CB-OD1 3.12Å
54L86.9Confident82.9Confident27 Ų2744.6 Ų44.614%0.14126%0.26CS..SBendtrans-69.4152.4175.8-61.3180000111.8P51 G52 Y57 Q78 G79 M160P51-L54 HydrophobicContact CB-CD1 4.42Å; P51-L54 HydrophobicContact CB-CG 4.2Å; P51-L54 HydrophobicContact CG-CD1 4.38Å; G52-L54 VanDerWaalsContact C-N 3.34Å; L54-Y57 HydrophobicContact CB-CE1 4.36Å; L54-Y57 HydrophobicContact CD1-CD1 4.22Å; L54-Y57 HydrophobicContact CD1-CE1 3.98Å; L54-Q78 HydrophobicContact CD1-CB 4.15Å; L54-Q78 HydrophobicContact CD2-CB 3.83Å; L54-G79 VanDerWaalsContact CD1-CA 3.46Å; L54-M160 VanDerWaalsContact O-CE 3.28Å; L54-M160 WeakPolarHBondContact O-CE 3.43Å
55T86.6Confident84.1Confident112 Ų11240 Ų4069%0.68724%0.236SC*.SBendtrans-75.6-30.4177.956.50000112.7
56H91.2Very high85.4Confident8 Ų835.7 Ų35.74%0.03721%0.206CC..EExtended strand (participates in β ladder)trans-160.3160.7-179.861.7-73.4000110.9M160 N161 V163 Y190 F194H56-M160 VanDerWaalsContact CA-SD 3.57Å; H56-N161 CarbonylContact C-O 3.59Å; H56-N161 VanDerWaalsContact CA-O 3.25Å; H56-N161 WeakPolarHBondContact CA-O 3.29Å; H56-N161 HydrophobicContact CB-CB 4.32Å; H56-N161 WeakPolarHBondContact CB-O 3.46Å; H56-V163 HydrophobicContact CB-CG2 4.08Å; H56-Y190 AromaticContact NE2-CE2 3.31Å; H56-Y190 VanDerWaalsContact NE2-CE2 3.31Å; H56-Y190 WeakPolarHBondContact NE2-CE2 3.5Å; H56-Y190 AromaticContact NE2-CZ 3.53Å; H56-Y190 PolarHBondContact NE2-OH 3.33Å; H56-F194 AromaticContact CE1-CD1 3.46Å; H56-F194 VanDerWaalsContact CE1-CD1 3.46Å; H56-F194 WeakPolarHBondContact CE1-CD1 3.42Å; H56-F194 AromaticContact ND1-CD1 3.76Å; H56-F194 AromaticContact ND1-CE1 3.93Å; H56-F194 AromaticContact NE2-CD1 4Å
57Y93.9Very high86.9Confident0 Ų030 Ų300%018%0.175CC..EExtended strand (participates in β ladder)trans-103.6145.2165.8-70.7-9.4000110.5S34 L50 P51 L54 G79 Y152 L156 M160 N161 L162 V163S34-Y57 WeakPolarHBondContact OG-CE2 3.39Å; S34-Y57 PolarHBondContact OG-OH 3.13Å; L50-Y57 HydrophobicContact CB-CE1 3.94Å; L50-Y57 HydrophobicContact CB-CE2 4.18Å; L50-Y57 WeakPolarHBondContact CB-OH 3.26Å; L50-Y57 HydrophobicContact CD1-CD1 4.2Å; L50-Y57 HydrophobicContact CD1-CD2 3.89Å; L50-Y57 HydrophobicContact CD1-CE1 4.15Å; L50-Y57 HydrophobicContact CD1-CE2 3.82Å; L50-Y57 HydrophobicContact CD1-CG 4.09Å; L50-Y57 PolarHBondContact O-OH 3.32Å; P51-Y57 WeakPolarHBondContact O-CE1 3.46Å; P51-Y57 PolarHBondContact O-OH 2.76Å; L54-Y57 HydrophobicContact CB-CE1 4.36Å; L54-Y57 HydrophobicContact CD1-CD1 4.22Å; L54-Y57 HydrophobicContact CD1-CE1 3.98Å; Y57-G79 WeakPolarHBondContact CA-O 3.4Å; Y57-Y152 HydrophobicContact CD2-CD1 4.38Å; Y57-L156 HydrophobicContact CD2-CD1 4.26Å; Y57-L156 HydrophobicContact CE2-CD1 3.89Å; Y57-M160 HydrophobicContact CD1-CE 4.49Å; Y57-M160 HydrophobicContact CD1-CG 3.92Å; Y57-M160 HydrophobicContact CD1-SD 4.08Å; Y57-M160 HydrophobicContact CD2-CG 3.84Å; Y57-M160 HydrophobicContact CE1-CE 4Å; Y57-M160 HydrophobicContact CE1-CG 4.11Å; Y57-M160 HydrophobicContact CE1-SD 4.19Å; Y57-M160 HydrophobicContact CE2-CG 4.05Å; Y57-M160 HydrophobicContact CG-CG 3.77Å; Y57-M160 HydrophobicContact CG-SD 4.49Å; Y57-N161 PolarHBondContact N-O 2.9Å; Y57-L162 CarbonylContact O-C 3.53Å; Y57-L162 WeakPolarHBondContact O-CA 3.11Å; Y57-V163 PolarHBondContact O-N 2.92Å
58V94.3Very high88.1Confident3 Ų329.1 Ų29.12%0.01817%0.165CC..EExtended strand (participates in β ladder)trans-109.9129.2-176.9-175.10000110.2P60 G79 V81 V163 I165 Y190V58-P60 WeakPolarHBondContact O-CD 3.28Å; V58-G79 PolarHBondContact N-O 3.19Å; V58-V81 PolarHBondContact O-N 2.96Å; V58-V163 CarbonylContact C-O 3.59Å; V58-V163 VanDerWaalsContact CA-O 3.29Å; V58-V163 WeakPolarHBondContact CA-O 3.38Å; V58-I165 HydrophobicContact CG1-CD1 3.79Å; V58-I165 HydrophobicContact CG1-CG1 4.01Å; V58-I165 HydrophobicContact CG1-CG2 4.31Å; V58-Y190 HydrophobicContact CG2-CE1 4.49Å; V58-Y190 HydrophobicContact CG2-CE2 4.08Å; V58-Y190 WeakPolarHBondContact CG2-OH 3.39Å
59V94.6Very high88.6Confident0 Ų026.8 Ų26.80%016%0.155CC..EExtended strand (participates in β ladder)trans-115.692.8175.9-170.30000108.9V81 T83 A149 L162 V163 M164 I165V59-V81 HydrophobicContact CG2-CB 4.22Å; V59-T83 HydrophobicContact CG1-CG2 4.06Å; V59-A149 HydrophobicContact CB-CB 4.35Å; V59-A149 HydrophobicContact CG2-CB 3.96Å; V59-L162 HydrophobicContact CG2-CD1 3.84Å; V59-V163 PolarHBondContact N-O 2.68Å; V59-M164 WeakPolarHBondContact O-CA 3.27Å; V59-I165 PolarHBondContact O-N 2.88Å
60P93.6Very high88.6Confident0 Ų025.4 Ų25.40%014%0.144CC..EExtended strand (participates in β ladder)trans-71.1138.4176.730.8-35.3000110.6V58 V64 V65 L72 V80 F82 I165V58-P60 WeakPolarHBondContact O-CD 3.28Å; P60-V64 HydrophobicContact CB-CB 4.46Å; P60-V64 HydrophobicContact CB-CG1 4.12Å; P60-V65 HydrophobicContact CB-CG2 3.75Å; P60-V65 HydrophobicContact CG-CG2 3.65Å; P60-L72 HydrophobicContact CB-CD1 3.85Å; P60-L72 HydrophobicContact CG-CD1 3.98Å; P60-V80 HydrophobicContact CG-CG1 3.99Å; P60-F82 HydrophobicContact CG-CD1 4.03Å; P60-F82 HydrophobicContact CG-CE1 4.07Å; P60-I165 HydrophobicContact CB-CD1 4.04Å; P60-I165 HydrophobicContact CB-CG1 3.85Å
61D91Very high88.6Confident0 Ų025.5 Ų25.50%015%0.145CC..  trans-69.5169.6171.581.87.3000112E63 V64 V65 S145 M164 I165 T166D61-E63 VanDerWaalsContact C-N 3.27Å; D61-E63 PolarHBondContact O-N 3.49Å; D61-E63 PolarHBondContact OD1-N 2.99Å; D61-V64 PolarHBondContact O-N 2.87Å; D61-V64 VanDerWaalsContact OD1-CB 3.25Å; D61-V64 WeakPolarHBondContact OD1-CB 3.31Å; D61-V64 WeakPolarHBondContact OD1-CG2 3.14Å; D61-V64 PolarHBondContact OD1-N 3.14Å; D61-V65 VanDerWaalsContact O-CG2 3.3Å; D61-V65 WeakPolarHBondContact O-CG2 3.18Å; D61-V65 PolarHBondContact O-N 2.93Å; D61-S145 WeakPolarHBondContact CA-OG 3.4Å; D61-M164 HydrophobicContact CB-CE 4.23Å; D61-I165 PolarHBondContact N-O 3.15Å; D61-T166 WeakPolarHBondContact OD2-CA 3.45Å; D61-T166 WeakPolarHBondContact OD2-CB 3.33Å; D61-T166 PolarHBondContact OD2-OG1 2.82Å
62A87.4Confident88.9Confident0 Ų024.4 Ų24.40%014%0.138CC..Hα-helixtrans-66-30-177.500000113.2L66 A86 A89 Y141A62-L66 WeakPolarHBondContact O-CB 3.46Å; A62-L66 WeakPolarHBondContact O-CD1 3.22Å; A62-L66 WeakPolarHBondContact O-CG 3.09Å; A62-L66 PolarHBondContact O-N 3.42Å; A62-A86 HydrophobicContact CB-CB 4.11Å; A62-A89 HydrophobicContact CB-CB 3.98Å; A62-Y141 HydrophobicContact CB-CD1 3.66Å; A62-Y141 HydrophobicContact CB-CD2 3.95Å; A62-Y141 HydrophobicContact CB-CE1 4.25Å; A62-Y141 HydrophobicContact CB-CG 3.5Å; A62-Y141 VanDerWaalsContact CB-CG 3.5Å
63E86.8Confident89.2Confident80 Ų8025 Ų2537%0.37413%0.133SC..Hα-helixtrans-74.1-40.7-179.2-175.8164.6-168.500111.3D61 L66 N67D61-E63 VanDerWaalsContact C-N 3.27Å; D61-E63 PolarHBondContact O-N 3.49Å; D61-E63 PolarHBondContact OD1-N 2.99Å; E63-L66 WeakPolarHBondContact O-CB 3.33Å; E63-L66 PolarHBondContact O-N 2.94Å; E63-L66 VanDerWaalsContact O-N 3.12Å; E63-N67 WeakPolarHBondContact CG-ND2 3.44Å; E63-N67 VanDerWaalsContact O-CB 3.28Å; E63-N67 WeakPolarHBondContact O-CB 3.23Å; E63-N67 PolarHBondContact O-N 2.99Å; E63-N67 PolarHBondContact O-ND2 3.17Å
64V89.8Confident89.2Confident0 Ų019.8 Ų19.80%010%0.104CC..Hα-helixtrans-62.6-44.9173172.90000110.3P60 D61 L66 N67 Y68 L72 I165 E167 V187P60-V64 HydrophobicContact CB-CB 4.46Å; P60-V64 HydrophobicContact CB-CG1 4.12Å; D61-V64 PolarHBondContact O-N 2.87Å; D61-V64 VanDerWaalsContact OD1-CB 3.25Å; D61-V64 WeakPolarHBondContact OD1-CB 3.31Å; D61-V64 WeakPolarHBondContact OD1-CG2 3.14Å; D61-V64 PolarHBondContact OD1-N 3.14Å; V64-L66 VanDerWaalsContact C-N 3.26Å; V64-L66 PolarHBondContact O-N 3.43Å; V64-N67 PolarHBondContact O-N 3.39Å; V64-Y68 HydrophobicContact CG1-CD2 4.28Å; V64-Y68 CarbonylContact O-C 3.59Å; V64-Y68 WeakPolarHBondContact O-CA 3.26Å; V64-Y68 PolarHBondContact O-N 3.21Å; V64-L72 HydrophobicContact CG1-CD1 4.35Å; V64-I165 HydrophobicContact CG1-CD1 3.98Å; V64-I165 HydrophobicContact CG1-CG1 4.16Å; V64-E167 HydrophobicContact CG2-CG 4.34Å; V64-V187 HydrophobicContact CB-CG2 4.34Å; V64-V187 HydrophobicContact CG1-CG2 3.75Å; V64-V187 HydrophobicContact CG2-CG2 3.54Å
65V89.6Confident89Confident0 Ų021.9 Ų21.90%012%0.118CC..Hα-helixtrans-63.6-33173.91760000111.7P60 D61 L69 L72 F82 A86 L90 L101P60-V65 HydrophobicContact CB-CG2 3.75Å; P60-V65 HydrophobicContact CG-CG2 3.65Å; D61-V65 VanDerWaalsContact O-CG2 3.3Å; D61-V65 WeakPolarHBondContact O-CG2 3.18Å; D61-V65 PolarHBondContact O-N 2.93Å; V65-L69 HydrophobicContact CG1-CD1 4.41Å; V65-L69 WeakPolarHBondContact O-CB 3.31Å; V65-L72 HydrophobicContact CG2-CD1 4.09Å; V65-F82 HydrophobicContact CG1-CD1 4.33Å; V65-F82 HydrophobicContact CG1-CE1 4.33Å; V65-F82 HydrophobicContact CG2-CD1 3.78Å; V65-F82 HydrophobicContact CG2-CE1 3.86Å; V65-A86 HydrophobicContact CB-CB 4.12Å; V65-A86 HydrophobicContact CG1-CB 4.34Å; V65-A86 HydrophobicContact CG2-CB 3.91Å; V65-L90 HydrophobicContact CG1-CD2 4.26Å; V65-L101 HydrophobicContact CG1-CD2 4.48Å
66L84.9Confident88.9Confident33 Ų3321 Ų2117%0.17311%0.106CC..Hα-helixtrans-71.7-39.8177.2-78.4166.9000112.3A62 E63 V64 A89 L90 K93A62-L66 WeakPolarHBondContact O-CB 3.46Å; A62-L66 WeakPolarHBondContact O-CD1 3.22Å; A62-L66 WeakPolarHBondContact O-CG 3.09Å; A62-L66 PolarHBondContact O-N 3.42Å; E63-L66 WeakPolarHBondContact O-CB 3.33Å; E63-L66 PolarHBondContact O-N 2.94Å; E63-L66 VanDerWaalsContact O-N 3.12Å; V64-L66 VanDerWaalsContact C-N 3.26Å; V64-L66 PolarHBondContact O-N 3.43Å; L66-A89 HydrophobicContact CD1-CB 4.09Å; L66-A89 HydrophobicContact CG-CB 4.38Å; L66-L90 HydrophobicContact CD2-CD1 3.97Å; L66-K93 HydrophobicContact CD2-CB 3.8Å; L66-K93 HydrophobicContact CD2-CD 3.69Å; L66-K93 HydrophobicContact CD2-CG 4.35Å; L66-K93 PolarHBondContact O-NZ 3.29Å
67N85.4Confident88.7Confident38 Ų3821.1 Ų21.120%0.20311%0.107CC..Hα-helixtrans-101.1-31.2-166.5-71.3-21.2000113.6E63 V64 V208 L212E63-N67 WeakPolarHBondContact CG-ND2 3.44Å; E63-N67 VanDerWaalsContact O-CB 3.28Å; E63-N67 WeakPolarHBondContact O-CB 3.23Å; E63-N67 PolarHBondContact O-N 2.99Å; E63-N67 PolarHBondContact O-ND2 3.17Å; V64-N67 PolarHBondContact O-N 3.39Å; N67-V208 VanDerWaalsContact O-CG1 3.25Å; N67-V208 WeakPolarHBondContact O-CG1 3.46Å; N67-L212 HydrophobicContact CB-CD1 3.8Å
68Y89.8Confident88.5Confident7 Ų724.8 Ų24.83%0.02712%0.124CC..  trans-126.629.1-173-52.4-76000112.7V64 E70 V71 L72 E167 V187 Y205 V208 R209 L212V64-Y68 HydrophobicContact CG1-CD2 4.28Å; V64-Y68 CarbonylContact O-C 3.59Å; V64-Y68 WeakPolarHBondContact O-CA 3.26Å; V64-Y68 PolarHBondContact O-N 3.21Å; Y68-E70 PolarHBondContact O-N 2.75Å; Y68-E70 VanDerWaalsContact O-N 3.15Å; Y68-V71 WeakPolarHBondContact O-CB 3.36Å; Y68-V71 PolarHBondContact O-N 2.71Å; Y68-L72 PolarHBondContact O-N 3.07Å; Y68-E167 HydrophobicContact CE2-CG 3.59Å; Y68-V187 HydrophobicContact CD2-CG2 4.47Å; Y68-Y205 AromaticContact CD1-CD2 3.8Å; Y68-Y205 HydrophobicContact CD1-CD2 3.8Å; Y68-Y205 HydrophobicContact CD1-CE2 4.17Å; Y68-Y205 AromaticContact CE1-CD2 3.68Å; Y68-Y205 HydrophobicContact CE1-CD2 3.68Å; Y68-Y205 AromaticContact CE1-CE2 3.69Å; Y68-Y205 HydrophobicContact CE1-CE2 3.69Å; Y68-Y205 HydrophobicContact CE2-CE2 4.26Å; Y68-Y205 HydrophobicContact CG-CD2 4.41Å; Y68-Y205 AromaticContact CZ-CE2 3.73Å; Y68-V208 HydrophobicContact CD1-CB 3.95Å; Y68-V208 HydrophobicContact CD1-CG1 3.5Å; Y68-V208 HydrophobicContact CE1-CB 3.97Å; Y68-V208 HydrophobicContact CE1-CG1 3.55Å; Y68-R209 HydrophobicContact CE1-CB 4.3Å; Y68-L212 HydrophobicContact CE1-CD1 4.2Å
69L88.5Confident88.2Confident2 Ų224.7 Ų24.71%0.0112%0.123CC..THydrogen-bonded Turntrans-53.9-35.3175.6-174.361000111.5V65 V71 L72 E73 F82 L90 L101V65-L69 HydrophobicContact CG1-CD1 4.41Å; V65-L69 WeakPolarHBondContact O-CB 3.31Å; L69-V71 VanDerWaalsContact C-N 3.26Å; L69-V71 PolarHBondContact O-N 3.01Å; L69-L72 CarbonylContact O-C 3.42Å; L69-L72 PolarHBondContact O-N 3.04Å; L69-L72 VanDerWaalsContact O-N 3.12Å; L69-E73 WeakPolarHBondContact O-CG 3.41Å; L69-E73 PolarHBondContact O-N 3.26Å; L69-E73 VanDerWaalsContact O-N 3.09Å; L69-F82 HydrophobicContact CD1-CE1 4.37Å; L69-F82 HydrophobicContact CD1-CZ 4.49Å; L69-L90 HydrophobicContact CD2-CD2 3.91Å; L69-L101 HydrophobicContact CD1-CD1 4.3Å
70E85.7Confident88.2Confident22 Ų2224.8 Ų24.810%0.10312%0.124CC..THydrogen-bonded Turntrans-59.1-34.6177-68.273.1-160.800113.3Y68 R100 L204Y68-E70 PolarHBondContact O-N 2.75Å; Y68-E70 VanDerWaalsContact O-N 3.15Å; E70-R100 IonicContact OE1-CZ 3.35Å; E70-R100 IonicContact OE1-NH1 3.83Å; E70-R100 PolarHBondContact OE1-NH1 3.31Å; E70-L204 HydrophobicContact CB-CD2 4.08Å
71V88.8Confident88.2Confident2 Ų224.8 Ų24.81%0.01212%0.124CC..THydrogen-bonded Turntrans-72.9-42.2175.9179.60000109.3Y68 L69 E73 L74 L77 L191 L204Y68-V71 WeakPolarHBondContact O-CB 3.36Å; Y68-V71 PolarHBondContact O-N 2.71Å; L69-V71 VanDerWaalsContact C-N 3.26Å; L69-V71 PolarHBondContact O-N 3.01Å; V71-E73 PolarHBondContact O-N 3.01Å; V71-L74 WeakPolarHBondContact O-CB 3.11Å; V71-L74 WeakPolarHBondContact O-CG 3.49Å; V71-L74 PolarHBondContact O-N 3.36Å; V71-L77 HydrophobicContact CG1-CD1 4.17Å; V71-L77 VanDerWaalsContact O-CD1 3.27Å; V71-L77 WeakPolarHBondContact O-CD1 3.46Å; V71-L191 HydrophobicContact CG1-CD1 4.2Å; V71-L191 HydrophobicContact CG1-CD2 4.27Å; V71-L204 HydrophobicContact CG2-CD2 3.99Å; V71-L204 HydrophobicContact CG2-CG 4.02Å
72L90.3Very high88.4Confident8 Ų824.8 Ų24.84%0.04212%0.124CC..THydrogen-bonded Turntrans-70-6.7179.2-56.8177.4000114.2P60 V64 V65 Y68 L69 F82 I165P60-L72 HydrophobicContact CB-CD1 3.85Å; P60-L72 HydrophobicContact CG-CD1 3.98Å; V64-L72 HydrophobicContact CG1-CD1 4.35Å; V65-L72 HydrophobicContact CG2-CD1 4.09Å; Y68-L72 PolarHBondContact O-N 3.07Å; L69-L72 CarbonylContact O-C 3.42Å; L69-L72 PolarHBondContact O-N 3.04Å; L69-L72 VanDerWaalsContact O-N 3.12Å; L72-F82 HydrophobicContact CB-CZ 4.31Å; L72-F82 HydrophobicContact CD1-CE1 3.9Å; L72-F82 HydrophobicContact CD1-CZ 4.35Å; L72-I165 HydrophobicContact CD2-CD1 3.91Å
73E88.3Confident88.6Confident43 Ų4324.8 Ų24.820%0.20112%0.124CC..THydrogen-bonded Turntrans-90-8.2175.8-79.7176.6-173.600113.9L69 V71 V75 R100 L104 H110L69-E73 WeakPolarHBondContact O-CG 3.41Å; L69-E73 PolarHBondContact O-N 3.26Å; L69-E73 VanDerWaalsContact O-N 3.09Å; V71-E73 PolarHBondContact O-N 3.01Å; E73-V75 PolarHBondContact O-N 3.17Å; E73-R100 VanDerWaalsContact CD-NE 3.28Å; E73-R100 WeakPolarHBondContact OE1-CD 3.46Å; E73-R100 WeakPolarHBondContact OE1-CG 3.33Å; E73-R100 IonicContact OE1-CZ 3.4Å; E73-R100 IonicContact OE1-NE 2.64Å; E73-R100 PolarHBondContact OE1-NE 3.27Å; E73-R100 IonicContact OE1-NH2 3.88Å; E73-R100 PolarHBondContact OE1-NH2 3.39Å; E73-R100 IonicContact OE2-CZ 3.81Å; E73-R100 IonicContact OE2-NE 3.16Å; E73-R100 PolarHBondContact OE2-NE 2.96Å; E73-R100 VanDerWaalsContact OE2-NE 3.14Å; E73-R100 IonicContact OE2-NH2 3.97Å; E73-R100 PolarHBondContact OE2-NH2 3.49Å; E73-L104 HydrophobicContact CG-CD1 4.17Å; E73-L104 HydrophobicContact CG-CD2 4.23Å; E73-H110 PolarHBondContact O-CD2 2.96Å; E73-H110 PolarHBondContact O-NE2 3.49Å
74L85.6Confident88.7Confident30 Ų3022.5 Ų22.516%0.15711%0.113CC..  trans-62.5127.5173.9-68176000109.2V71 E76 L77 L198 A201V71-L74 WeakPolarHBondContact O-CB 3.11Å; V71-L74 WeakPolarHBondContact O-CG 3.49Å; V71-L74 PolarHBondContact O-N 3.36Å; L74-E76 WeakPolarHBondContact CB-OE2 3.32Å; L74-E76 PolarHBondContact O-N 3.49Å; L74-L77 HydrophobicContact CB-CG 4.36Å; L74-L77 PolarHBondContact O-N 3.09Å; L74-L198 HydrophobicContact CD1-CD2 4.29Å; L74-A201 HydrophobicContact CD1-CB 3.45Å; L74-A201 VanDerWaalsContact CD1-CB 3.45Å
75V82.1Confident88.7Confident71 Ų7122.8 Ų22.843%0.4312%0.115SC..THydrogen-bonded Turntrans-65.3-24.8-175.6-179.20000110.7E73 L77E73-V75 PolarHBondContact O-N 3.17Å; V75-L77 VanDerWaalsContact C-N 3.25Å; V75-L77 PolarHBondContact O-N 3.19Å
76E85.5Confident88.6Confident94 Ų9422.8 Ų22.844%0.43912%0.115SC..THydrogen-bonded Turntrans-64.6-27.6175.2-58.186.4166.800112.4L74 Q78 W195 L198L74-E76 WeakPolarHBondContact CB-OE2 3.32Å; L74-E76 PolarHBondContact O-N 3.49Å; E76-Q78 PolarHBondContact O-N 3.37Å; E76-W195 VanDerWaalsContact O-CH2 3.29Å; E76-W195 WeakPolarHBondContact O-CH2 3.31Å; E76-L198 HydrophobicContact CB-CD1 4.25Å; E76-L198 HydrophobicContact CB-CD2 3.95Å; E76-L198 HydrophobicContact CG-CD1 3.92Å
77L87.6Confident88.7Confident10 Ų1021.5 Ų21.55%0.05211%0.109CC..  trans-85.688.4176.9-63.6-176.4000110.6V71 L74 V75 Y190 W195V71-L77 HydrophobicContact CG1-CD1 4.17Å; V71-L77 VanDerWaalsContact O-CD1 3.27Å; V71-L77 WeakPolarHBondContact O-CD1 3.46Å; L74-L77 HydrophobicContact CB-CG 4.36Å; L74-L77 PolarHBondContact O-N 3.09Å; V75-L77 VanDerWaalsContact C-N 3.25Å; V75-L77 PolarHBondContact O-N 3.19Å; L77-Y190 HydrophobicContact CD2-CE1 4.16Å; L77-W195 HydrophobicContact CD2-CD2 4.14Å; L77-W195 HydrophobicContact CD2-CG 4.08Å; L77-W195 HydrophobicContact CD2-CZ2 4.29Å; L77-W195 VanDerWaalsContact CD2-NE1 3.34Å
78Q88.2Confident88.7Confident78 Ų7824.1 Ų24.136%0.36412%0.12SC..  trans-90.4157.6178.2-64.3180-18.300112.3L54 E76 D111L54-Q78 HydrophobicContact CD1-CB 4.15Å; L54-Q78 HydrophobicContact CD2-CB 3.83Å; E76-Q78 PolarHBondContact O-N 3.37Å; Q78-D111 HydrophobicContact CB-CB 4.16Å; Q78-D111 HydrophobicContact CG-CB 4.44Å
79G89.3Confident88.4Confident0 Ų023.9 Ų23.90%012%0.119CC..  trans83.427.9173.500000115.3L54 Y57 V58 D111L54-G79 VanDerWaalsContact CD1-CA 3.46Å; Y57-G79 WeakPolarHBondContact CA-O 3.4Å; V58-G79 PolarHBondContact N-O 3.19Å; G79-D111 CarbonylContact C-O 3.58Å; G79-D111 WeakPolarHBondContact CA-O 3.49Å; G79-D111 PolarHBondContact N-O 2.96Å
80V94.1Very high88.1Confident3 Ų323.8 Ų23.82%0.01812%0.119CC..EExtended strand (participates in β ladder)trans-86.5119.7-172.9-172.20000111.9P60 F82 D111 C112 V113P60-V80 HydrophobicContact CG-CG1 3.99Å; V80-F82 HydrophobicContact CB-CE2 4.19Å; V80-F82 HydrophobicContact CG1-CD1 4.44Å; V80-F82 HydrophobicContact CG1-CD2 4.04Å; V80-F82 HydrophobicContact CG1-CE1 4.07Å; V80-F82 HydrophobicContact CG1-CE2 3.63Å; V80-F82 HydrophobicContact CG1-CG 4.44Å; V80-F82 HydrophobicContact CG1-CZ 3.65Å; V80-D111 PolarHBondContact N-O 3.23Å; V80-C112 HydrophobicContact CB-CB 3.95Å; V80-C112 CarbonylContact O-C 3.59Å; V80-C112 WeakPolarHBondContact O-CA 3.45Å; V80-C112 WeakPolarHBondContact O-CB 3.16Å; V80-V113 PolarHBondContact O-N 3.13Å
81V94.4Very high87.8Confident0 Ų027.3 Ų27.30%014%0.135CC..EExtended strand (participates in β ladder)trans-100.597.1176.9-177.40000109.5L50 V58 V59 V113 F115 Y152L50-V81 HydrophobicContact CD1-CG2 3.58Å; V58-V81 PolarHBondContact O-N 2.96Å; V59-V81 HydrophobicContact CG2-CB 4.22Å; V81-V113 HydrophobicContact CB-CG2 4.49Å; V81-V113 HydrophobicContact CG1-CG2 4.38Å; V81-V113 HydrophobicContact CG2-CG2 4.16Å; V81-F115 HydrophobicContact CG1-CB 3.72Å; V81-Y152 HydrophobicContact CG1-CE2 3.8Å; V81-Y152 HydrophobicContact CG2-CE1 4.3Å
82F93.9Very high87.1Confident0 Ų031.9 Ų31.90%017%0.167CC..EExtended strand (participates in β ladder)trans-76.5127.4173.5-67.8-77.1000110.5P60 V65 L69 L72 V80 L101 L104 L105 C112 V113 L114 F115P60-F82 HydrophobicContact CG-CD1 4.03Å; P60-F82 HydrophobicContact CG-CE1 4.07Å; V65-F82 HydrophobicContact CG1-CD1 4.33Å; V65-F82 HydrophobicContact CG1-CE1 4.33Å; V65-F82 HydrophobicContact CG2-CD1 3.78Å; V65-F82 HydrophobicContact CG2-CE1 3.86Å; L69-F82 HydrophobicContact CD1-CE1 4.37Å; L69-F82 HydrophobicContact CD1-CZ 4.49Å; L72-F82 HydrophobicContact CB-CZ 4.31Å; L72-F82 HydrophobicContact CD1-CE1 3.9Å; L72-F82 HydrophobicContact CD1-CZ 4.35Å; V80-F82 HydrophobicContact CB-CE2 4.19Å; V80-F82 HydrophobicContact CG1-CD1 4.44Å; V80-F82 HydrophobicContact CG1-CD2 4.04Å; V80-F82 HydrophobicContact CG1-CE1 4.07Å; V80-F82 HydrophobicContact CG1-CE2 3.63Å; V80-F82 HydrophobicContact CG1-CG 4.44Å; V80-F82 HydrophobicContact CG1-CZ 3.65Å; F82-L101 HydrophobicContact CD1-CD1 3.79Å; F82-L101 HydrophobicContact CD2-CD1 3.73Å; F82-L101 HydrophobicContact CE1-CD1 3.74Å; F82-L101 HydrophobicContact CE2-CD1 3.68Å; F82-L101 HydrophobicContact CG-CD1 3.78Å; F82-L101 HydrophobicContact CZ-CD1 3.69Å; F82-L104 HydrophobicContact CE2-CD2 3.85Å; F82-L104 HydrophobicContact CZ-CD2 3.88Å; F82-L105 HydrophobicContact CD2-CD2 4.1Å; F82-C112 HydrophobicContact CD2-CB 4.06Å; F82-C112 HydrophobicContact CE2-CB 3.79Å; F82-V113 PolarHBondContact N-O 3.24Å; F82-L114 HydrophobicContact CB-CD1 4.48Å; F82-L114 CarbonylContact O-C 2.9Å; F82-L114 WeakPolarHBondContact O-CA 3.03Å; F82-F115 PolarHBondContact O-N 3.34Å
83T92.1Very high86.1Confident0 Ų036.2 Ų36.20%019%0.186CC..EExtended strand (participates in β ladder)trans-79.4149.5174.763.60000111.4V59 T85 A86 C87 A148V59-T83 HydrophobicContact CG1-CG2 4.06Å; T83-T85 PolarHBondContact O-N 3.21Å; T83-A86 PolarHBondContact O-N 2.74Å; T83-A86 VanDerWaalsContact O-N 3.11Å; T83-A86 WeakPolarHBondContact OG1-CB 3.36Å; T83-A86 PolarHBondContact OG1-N 2.7Å; T83-A86 VanDerWaalsContact OG1-N 3.16Å; T83-C87 PolarHBondContact O-N 3Å; T83-A148 HydrophobicContact CG2-CB 4.07Å
84Q89.9Confident85.1Confident31 Ų3135.3 Ų35.315%0.14519%0.188CC..Hα-helixtrans-58.3-33.8172-175.7-176-0.300111.5C87 Q88 F115 N117Q84-C87 PolarHBondContact O-N 2.8Å; Q84-Q88 WeakPolarHBondContact O-CB 3.24Å; Q84-Q88 VanDerWaalsContact O-CG 3.3Å; Q84-Q88 WeakPolarHBondContact O-CG 3.41Å; Q84-Q88 PolarHBondContact O-N 3.02Å; Q84-F115 PolarHBondContact N-O 3.45Å; Q84-N117 WeakPolarHBondContact CB-OD1 3.34Å; Q84-N117 PolarHBondContact N-OD1 2.84Å
85T88Confident84.3Confident6 Ų643.1 Ų43.14%0.03722%0.216CC..Hα-helixtrans-59-50.6172.2-41.80000111.8T83 C87 Q88 A89 N117 V140 Y141 H144T83-T85 PolarHBondContact O-N 3.21Å; T85-C87 VanDerWaalsContact C-N 3.3Å; T85-C87 PolarHBondContact O-N 3.27Å; T85-Q88 PolarHBondContact O-N 3.19Å; T85-A89 PolarHBondContact O-N 3.02Å; T85-N117 PolarHBondContact N-OD1 2.82Å; T85-N117 PolarHBondContact OG1-ND2 3.38Å; T85-N117 PolarHBondContact OG1-OD1 3.48Å; T85-V140 HydrophobicContact CG2-CG1 4.43Å; T85-Y141 HydrophobicContact CG2-CD1 3.56Å; T85-Y141 HydrophobicContact CG2-CE1 3.79Å; T85-H144 PolarHBondContact OG1-ND1 2.99Å
86A87.9Confident83.5Confident0 Ų045.2 Ų45.20%022%0.216CC..Hα-helixtrans-62.2-40179.200000111.6A62 V65 T83 Q88 A89 L90A62-A86 HydrophobicContact CB-CB 4.11Å; V65-A86 HydrophobicContact CB-CB 4.12Å; V65-A86 HydrophobicContact CG1-CB 4.34Å; V65-A86 HydrophobicContact CG2-CB 3.91Å; T83-A86 PolarHBondContact O-N 2.74Å; T83-A86 VanDerWaalsContact O-N 3.11Å; T83-A86 WeakPolarHBondContact OG1-CB 3.36Å; T83-A86 PolarHBondContact OG1-N 2.7Å; T83-A86 VanDerWaalsContact OG1-N 3.16Å; A86-Q88 PolarHBondContact O-N 3.43Å; A86-A89 WeakPolarHBondContact O-CB 3.3Å; A86-A89 PolarHBondContact O-N 3.36Å; A86-L90 WeakPolarHBondContact O-CB 3.46Å; A86-L90 PolarHBondContact O-N 2.65Å
87C87.2Confident83.1Confident7 Ų743.4 Ų43.45%0.04721%0.206CC..Hα-helixtrans-63.1-41175.8-164.20000112.5T83 Q84 T85 L90 H91 Y98 L101 L114T83-C87 PolarHBondContact O-N 3Å; Q84-C87 PolarHBondContact O-N 2.8Å; T85-C87 VanDerWaalsContact C-N 3.3Å; T85-C87 PolarHBondContact O-N 3.27Å; C87-L90 PolarHBondContact O-N 2.69Å; C87-H91 PolarHBondContact O-N 2.96Å; C87-Y98 WeakPolarHBondContact SG-CE2 3.36Å; C87-L101 HydrophobicContact CB-CD2 4.14Å; C87-L114 HydrophobicContact CB-CD1 3.9Å
88Q85.1Confident82.7Confident92 Ų9245 Ų4543%0.4321%0.212SC..Hα-helixtrans-67.6-39.2174.8-73.6176.821.200112.2Q84 T85 A86 L90 H91 S92Q84-Q88 WeakPolarHBondContact O-CB 3.24Å; Q84-Q88 VanDerWaalsContact O-CG 3.3Å; Q84-Q88 WeakPolarHBondContact O-CG 3.41Å; Q84-Q88 PolarHBondContact O-N 3.02Å; T85-Q88 PolarHBondContact O-N 3.19Å; A86-Q88 PolarHBondContact O-N 3.43Å; Q88-L90 VanDerWaalsContact C-N 3.34Å; Q88-H91 WeakPolarHBondContact O-CB 3.42Å; Q88-H91 PolarHBondContact O-N 2.89Å; Q88-S92 PolarHBondContact O-N 3.22Å; Q88-S92 VanDerWaalsContact O-N 3.1Å
89A83.6Confident82.1Confident2 Ų244.6 Ų44.62%0.01721%0.212CC..Hα-helixtrans-60.1-46.8174.600000110.3A62 L66 T85 A86 H91 S92 K93 Y141A62-A89 HydrophobicContact CB-CB 3.98Å; L66-A89 HydrophobicContact CD1-CB 4.09Å; L66-A89 HydrophobicContact CG-CB 4.38Å; T85-A89 PolarHBondContact O-N 3.02Å; A86-A89 WeakPolarHBondContact O-CB 3.3Å; A86-A89 PolarHBondContact O-N 3.36Å; A89-H91 VanDerWaalsContact C-N 3.31Å; A89-H91 PolarHBondContact O-N 3.06Å; A89-S92 WeakPolarHBondContact O-CB 3.43Å; A89-S92 PolarHBondContact O-N 2.99Å; A89-S92 VanDerWaalsContact O-N 3.07Å; A89-S92 PolarHBondContact O-OG 2.89Å; A89-K93 PolarHBondContact O-N 3.22Å; A89-Y141 HydrophobicContact CB-CE1 4.25Å
90L82.8Confident81.7Confident0 Ų047.1 Ų47.10%022%0.222CC..Hα-helixtrans-62.3-36.7176.4-162.967.4000112.8V65 L66 L69 A86 C87 Q88 S92 K93 G94 F97 L101V65-L90 HydrophobicContact CG1-CD2 4.26Å; L66-L90 HydrophobicContact CD2-CD1 3.97Å; L69-L90 HydrophobicContact CD2-CD2 3.91Å; A86-L90 WeakPolarHBondContact O-CB 3.46Å; A86-L90 PolarHBondContact O-N 2.65Å; C87-L90 PolarHBondContact O-N 2.69Å; Q88-L90 VanDerWaalsContact C-N 3.34Å; L90-S92 VanDerWaalsContact C-N 3.28Å; L90-S92 PolarHBondContact O-N 3.22Å; L90-K93 WeakPolarHBondContact O-CB 3.45Å; L90-K93 PolarHBondContact O-N 3.08Å; L90-K93 VanDerWaalsContact O-N 3.15Å; L90-G94 PolarHBondContact O-N 3Å; L90-F97 HydrophobicContact CD1-CB 3.64Å; L90-F97 HydrophobicContact CD1-CG 4.36Å; L90-F97 HydrophobicContact CD2-CB 4.17Å; L90-F97 VanDerWaalsContact CD2-O 3.3Å; L90-F97 WeakPolarHBondContact CD2-O 3.39Å; L90-F97 HydrophobicContact CG-CB 3.64Å; L90-L101 HydrophobicContact CD2-CB 3.61Å; L90-L101 HydrophobicContact CD2-CD2 3.73Å; L90-L101 HydrophobicContact CD2-CG 4.29Å
91H79.6Confident81.4Confident96 Ų9647 Ų4744%0.44422%0.221SC..Hα-helixtrans-61.3-37.1173.8-16586.9000112.6C87 Q88 A89 K93 G94 Y98C87-H91 PolarHBondContact O-N 2.96Å; Q88-H91 WeakPolarHBondContact O-CB 3.42Å; Q88-H91 PolarHBondContact O-N 2.89Å; A89-H91 VanDerWaalsContact C-N 3.31Å; A89-H91 PolarHBondContact O-N 3.06Å; H91-K93 VanDerWaalsContact C-N 3.3Å; H91-K93 PolarHBondContact O-N 2.9Å; H91-G94 PolarHBondContact O-N 3.22Å; H91-Y98 HydrophobicContact CB-CD2 3.75Å; H91-Y98 HydrophobicContact CB-CE2 4.34Å; H91-Y98 HydrophobicContact CB-CG 4.16Å; H91-Y98 AromaticContact CE1-CD1 3.93Å; H91-Y98 AromaticContact CG-CD2 3.99Å; H91-Y98 AromaticContact ND1-CD1 3.33Å; H91-Y98 VanDerWaalsContact ND1-CD1 3.33Å; H91-Y98 WeakPolarHBondContact ND1-CD1 3.49Å; H91-Y98 AromaticContact ND1-CD2 3.43Å; H91-Y98 WeakPolarHBondContact ND1-CD2 3.43Å; H91-Y98 AromaticContact ND1-CE1 3.69Å; H91-Y98 AromaticContact ND1-CE2 3.8Å; H91-Y98 AromaticContact ND1-CG 3.17Å; H91-Y98 AromaticContact ND1-CZ 3.94Å
92S74.3Confident80.9Confident98 Ų9852.7 Ų52.769%0.68524%0.243SC*.Hα-helixtrans-68-28.617679.10000113.1Q88 A89 L90Q88-S92 PolarHBondContact O-N 3.22Å; Q88-S92 VanDerWaalsContact O-N 3.1Å; A89-S92 WeakPolarHBondContact O-CB 3.43Å; A89-S92 PolarHBondContact O-N 2.99Å; A89-S92 VanDerWaalsContact O-N 3.07Å; A89-S92 PolarHBondContact O-OG 2.89Å; L90-S92 VanDerWaalsContact C-N 3.28Å; L90-S92 PolarHBondContact O-N 3.22Å
93K68.8Low80.3Confident99 Ų9957.7 Ų57.743%0.4327%0.27SS..Hα-helixtrans-71.5-30.3173.5-172.1172.6174.7173.90112.2L66 A89 L90 H91 F97L66-K93 HydrophobicContact CD2-CB 3.8Å; L66-K93 HydrophobicContact CD2-CD 3.69Å; L66-K93 HydrophobicContact CD2-CG 4.35Å; L66-K93 PolarHBondContact O-NZ 3.29Å; A89-K93 PolarHBondContact O-N 3.22Å; L90-K93 WeakPolarHBondContact O-CB 3.45Å; L90-K93 PolarHBondContact O-N 3.08Å; L90-K93 VanDerWaalsContact O-N 3.15Å; H91-K93 VanDerWaalsContact C-N 3.3Å; H91-K93 PolarHBondContact O-N 2.9Å; K93-F97 HydrophobicContact CB-CD2 4.46Å; K93-F97 HydrophobicContact CD-CD2 4.3Å; K93-F97 HydrophobicContact CD-CE2 4.34Å; K93-F97 HydrophobicContact CG-CD2 3.93Å; K93-F97 HydrophobicContact CG-CE2 4.04Å
94G66.7Low80Confident25 Ų2558.3 Ų58.326%0.25827%0.273SS..  trans153.4157.4168.500000114.2L90 H91 R96 F97 Y98L90-G94 PolarHBondContact O-N 3Å; H91-G94 PolarHBondContact O-N 3.22Å; G94-R96 PolarHBondContact O-N 2.99Å; G94-F97 PolarHBondContact O-N 3.1Å; G94-Y98 PolarHBondContact O-N 3.39Å
95R68.5Low79.8Confident194 Ų19458.3 Ų58.373%0.73227%0.274SS*.Hα-helixtrans-59.9-30.8-176.6-165.7171.4-177.5-178.3-2113.6N99R95-N99 WeakPolarHBondContact O-CB 3.35Å; R95-N99 PolarHBondContact O-N 3.42Å; R95-N99 PolarHBondContact O-OD1 2.98Å
96R67Low79.5Confident115 Ų11565.9 Ų65.943%0.43431%0.306SS..Hα-helixtrans-63.1-52177.1-179.6-174.2170.2175.33.9112.2G94 Y98 N99 R100 W340G94-R96 PolarHBondContact O-N 2.99Å; R96-Y98 VanDerWaalsContact C-N 3.28Å; R96-Y98 PolarHBondContact O-N 3.4Å; R96-N99 PolarHBondContact O-N 3.15Å; R96-R100 PolarHBondContact O-N 3.08Å; R96-W340 PolarHBondContact NH1-O 2.75Å; R96-W340 PolarHBondContact NH2-O 2.99Å
97F75.4Confident78.9Confident55 Ų5567.5 Ų67.524%0.24132%0.315CS..Hα-helixtrans-62.4-40.8-179.5-64-79.4000110.8L90 K93 G94 R100 L101L90-F97 HydrophobicContact CD1-CB 3.64Å; L90-F97 HydrophobicContact CD1-CG 4.36Å; L90-F97 HydrophobicContact CD2-CB 4.17Å; L90-F97 VanDerWaalsContact CD2-O 3.3Å; L90-F97 WeakPolarHBondContact CD2-O 3.39Å; L90-F97 HydrophobicContact CG-CB 3.64Å; K93-F97 HydrophobicContact CB-CD2 4.46Å; K93-F97 HydrophobicContact CD-CD2 4.3Å; K93-F97 HydrophobicContact CD-CE2 4.34Å; K93-F97 HydrophobicContact CG-CD2 3.93Å; K93-F97 HydrophobicContact CG-CE2 4.04Å; G94-F97 PolarHBondContact O-N 3.1Å; F97-R100 WeakPolarHBondContact O-CB 3.24Å; F97-R100 PolarHBondContact O-N 3.08Å; F97-L101 PolarHBondContact O-N 3.04Å
98Y79.3Confident78.4Confident44 Ų4470 Ų7017%0.17333%0.33CS..Hα-helixtrans-60.2-45.9173.2-179.5-105.6000113.3C87 H91 G94 R96 R100 L101 R102C87-Y98 WeakPolarHBondContact SG-CE2 3.36Å; H91-Y98 HydrophobicContact CB-CD2 3.75Å; H91-Y98 HydrophobicContact CB-CE2 4.34Å; H91-Y98 HydrophobicContact CB-CG 4.16Å; H91-Y98 AromaticContact CE1-CD1 3.93Å; H91-Y98 AromaticContact CG-CD2 3.99Å; H91-Y98 AromaticContact ND1-CD1 3.33Å; H91-Y98 VanDerWaalsContact ND1-CD1 3.33Å; H91-Y98 WeakPolarHBondContact ND1-CD1 3.49Å; H91-Y98 AromaticContact ND1-CD2 3.43Å; H91-Y98 WeakPolarHBondContact ND1-CD2 3.43Å; H91-Y98 AromaticContact ND1-CE1 3.69Å; H91-Y98 AromaticContact ND1-CE2 3.8Å; H91-Y98 AromaticContact ND1-CG 3.17Å; H91-Y98 AromaticContact ND1-CZ 3.94Å; G94-Y98 PolarHBondContact O-N 3.39Å; R96-Y98 VanDerWaalsContact C-N 3.28Å; R96-Y98 PolarHBondContact O-N 3.4Å; Y98-R100 VanDerWaalsContact C-N 3.3Å; Y98-R100 PolarHBondContact O-N 3.38Å; Y98-L101 PolarHBondContact O-N 3.18Å; Y98-R102 HydrophobicContact CD1-CG 4.44Å; Y98-R102 HydrophobicContact CE1-CG 4.09Å; Y98-R102 HydrophobicContact CE2-CG 4.47Å; Y98-R102 WeakPolarHBondContact O-CG 3.49Å; Y98-R102 PolarHBondContact O-N 2.81Å; Y98-R102 PolarHBondContact OH-NH1 3.37Å
99N75.6Confident78Confident69 Ų6970.1 Ų70.137%0.36933%0.327SS..Hα-helixtrans-64.7-35.8176.4-72.7-5.4000111.8R95 R96 R102 N103R95-N99 WeakPolarHBondContact O-CB 3.35Å; R95-N99 PolarHBondContact O-N 3.42Å; R95-N99 PolarHBondContact O-OD1 2.98Å; R96-N99 PolarHBondContact O-N 3.15Å; N99-R102 PolarHBondContact O-N 2.83Å; N99-N103 WeakPolarHBondContact O-CB 3.46Å; N99-N103 PolarHBondContact O-N 3.16Å; N99-N103 PolarHBondContact O-OD1 3.07Å
100R82.2Confident78.1Confident53 Ų5371.3 Ų71.320%0.233%0.332CS..Hα-helixtrans-59.7-51175.1-165179.6-176.9-169.9-5110.9E70 E73 R96 F97 Y98 R102 N103 L104 R393E70-R100 IonicContact OE1-CZ 3.35Å; E70-R100 IonicContact OE1-NH1 3.83Å; E70-R100 PolarHBondContact OE1-NH1 3.31Å; E73-R100 VanDerWaalsContact CD-NE 3.28Å; E73-R100 WeakPolarHBondContact OE1-CD 3.46Å; E73-R100 WeakPolarHBondContact OE1-CG 3.33Å; E73-R100 IonicContact OE1-CZ 3.4Å; E73-R100 IonicContact OE1-NE 2.64Å; E73-R100 PolarHBondContact OE1-NE 3.27Å; E73-R100 IonicContact OE1-NH2 3.88Å; E73-R100 PolarHBondContact OE1-NH2 3.39Å; E73-R100 IonicContact OE2-CZ 3.81Å; E73-R100 IonicContact OE2-NE 3.16Å; E73-R100 PolarHBondContact OE2-NE 2.96Å; E73-R100 VanDerWaalsContact OE2-NE 3.14Å; E73-R100 IonicContact OE2-NH2 3.97Å; E73-R100 PolarHBondContact OE2-NH2 3.49Å; R96-R100 PolarHBondContact O-N 3.08Å; F97-R100 WeakPolarHBondContact O-CB 3.24Å; F97-R100 PolarHBondContact O-N 3.08Å; Y98-R100 VanDerWaalsContact C-N 3.3Å; Y98-R100 PolarHBondContact O-N 3.38Å; R100-R102 PolarHBondContact O-N 3.35Å; R100-N103 PolarHBondContact O-N 3.19Å; R100-L104 PolarHBondContact O-N 2.92Å; R100-R393 VanDerWaalsContact NH2-NH1 3.17Å
101L86.6Confident78.3Confident0 Ų072.7 Ų72.70%034%0.34CS..Hα-helixtrans-62.5-38.8174.6179.161.9000112.6V65 L69 F82 C87 L90 F97 Y98 N103 L104 L105V65-L101 HydrophobicContact CG1-CD2 4.48Å; L69-L101 HydrophobicContact CD1-CD1 4.3Å; F82-L101 HydrophobicContact CD1-CD1 3.79Å; F82-L101 HydrophobicContact CD2-CD1 3.73Å; F82-L101 HydrophobicContact CE1-CD1 3.74Å; F82-L101 HydrophobicContact CE2-CD1 3.68Å; F82-L101 HydrophobicContact CG-CD1 3.78Å; F82-L101 HydrophobicContact CZ-CD1 3.69Å; C87-L101 HydrophobicContact CB-CD2 4.14Å; L90-L101 HydrophobicContact CD2-CB 3.61Å; L90-L101 HydrophobicContact CD2-CD2 3.73Å; L90-L101 HydrophobicContact CD2-CG 4.29Å; F97-L101 PolarHBondContact O-N 3.04Å; Y98-L101 PolarHBondContact O-N 3.18Å; L101-N103 VanDerWaalsContact C-N 3.34Å; L101-N103 PolarHBondContact O-N 3.29Å; L101-L104 HydrophobicContact CD1-CD2 4.22Å; L101-L104 WeakPolarHBondContact O-CB 3.31Å; L101-L104 PolarHBondContact O-N 2.89Å; L101-L105 HydrophobicContact CD1-CG 4.49Å; L101-L105 HydrophobicContact CG-CD1 4.26Å; L101-L105 VanDerWaalsContact O-CG 3.3Å; L101-L105 WeakPolarHBondContact O-CG 3.46Å; L101-L105 PolarHBondContact O-N 2.85Å
102R84.3Confident78.8Confident121 Ų12168.3 Ų68.346%0.45732%0.32SS..Hα-helixtrans-65.5-37.1175.2-74.8-160.7104.7148.51.1112.9Y98 N99 R100 L104 L105 K106Y98-R102 HydrophobicContact CD1-CG 4.44Å; Y98-R102 HydrophobicContact CE1-CG 4.09Å; Y98-R102 HydrophobicContact CE2-CG 4.47Å; Y98-R102 WeakPolarHBondContact O-CG 3.49Å; Y98-R102 PolarHBondContact O-N 2.81Å; Y98-R102 PolarHBondContact OH-NH1 3.37Å; N99-R102 PolarHBondContact O-N 2.83Å; R100-R102 PolarHBondContact O-N 3.35Å; R102-L104 VanDerWaalsContact C-N 3.34Å; R102-L105 PolarHBondContact O-N 2.91Å; R102-K106 VanDerWaalsContact O-CG 3.31Å; R102-K106 WeakPolarHBondContact O-CG 3.25Å; R102-K106 PolarHBondContact O-N 3.05Å; R102-K106 VanDerWaalsContact O-N 3.11Å
103N80.5Confident79.7Confident105 Ų10564 Ų6456%0.56129%0.289SS*.Hα-helixtrans-67.2-40.7175.8-70.2-9.7000110.1N99 R100 L101 L105 K106 D107N99-N103 WeakPolarHBondContact O-CB 3.46Å; N99-N103 PolarHBondContact O-N 3.16Å; N99-N103 PolarHBondContact O-OD1 3.07Å; R100-N103 PolarHBondContact O-N 3.19Å; L101-N103 VanDerWaalsContact C-N 3.34Å; L101-N103 PolarHBondContact O-N 3.29Å; N103-L105 PolarHBondContact O-N 2.81Å; N103-K106 PolarHBondContact O-N 3.44Å; N103-K106 VanDerWaalsContact O-N 3.15Å; N103-D107 PolarHBondContact O-N 3.12Å
104L86.3Confident80.8Confident13 Ų1362.3 Ų62.37%0.06828%0.284CS..Hα-helixtrans-57.6-47172.9-169.670.6000112E73 F82 R100 L101 R102 K106 D107 H110E73-L104 HydrophobicContact CG-CD1 4.17Å; E73-L104 HydrophobicContact CG-CD2 4.23Å; F82-L104 HydrophobicContact CE2-CD2 3.85Å; F82-L104 HydrophobicContact CZ-CD2 3.88Å; R100-L104 PolarHBondContact O-N 2.92Å; L101-L104 HydrophobicContact CD1-CD2 4.22Å; L101-L104 WeakPolarHBondContact O-CB 3.31Å; L101-L104 PolarHBondContact O-N 2.89Å; R102-L104 VanDerWaalsContact C-N 3.34Å; L104-K106 VanDerWaalsContact C-N 3.25Å; L104-K106 PolarHBondContact O-N 2.89Å; L104-D107 PolarHBondContact O-N 3.35Å; L104-H110 HydrophobicContact CD1-CB 3.88Å; L104-H110 VanDerWaalsContact CD1-CD2 3.4Å; L104-H110 WeakPolarHBondContact CD1-CD2 3.41Å; L104-H110 HydrophobicContact CG-CB 4.39Å
105L86.6Confident82Confident31 Ų3161.1 Ų61.116%0.16227%0.272CS..Hα-helixtrans-62.8-30.6177.1-72.2166.8000113.1K48 F82 L101 R102 N103 V113 L114K48-L105 PolarHBondContact NZ-O 2.84Å; F82-L105 HydrophobicContact CD2-CD2 4.1Å; L101-L105 HydrophobicContact CD1-CG 4.49Å; L101-L105 HydrophobicContact CG-CD1 4.26Å; L101-L105 VanDerWaalsContact O-CG 3.3Å; L101-L105 WeakPolarHBondContact O-CG 3.46Å; L101-L105 PolarHBondContact O-N 2.85Å; R102-L105 PolarHBondContact O-N 2.91Å; N103-L105 PolarHBondContact O-N 2.81Å; L105-V113 VanDerWaalsContact CD2-C 3.44Å; L105-L114 HydrophobicContact CD1-CB 3.9Å; L105-L114 HydrophobicContact CD1-CD2 4.38Å; L105-L114 HydrophobicContact CD1-CG 4.5Å; L105-L114 HydrophobicContact CD2-CB 4.05Å
106K80.4Confident83Confident164 Ų16453.3 Ų53.371%0.71325%0.249SC*.Hα-helixtrans-83.6-24.3177.7-73.8178.7177.6-1690113.4R102 N103 L104 P108R102-K106 VanDerWaalsContact O-CG 3.31Å; R102-K106 WeakPolarHBondContact O-CG 3.25Å; R102-K106 PolarHBondContact O-N 3.05Å; R102-K106 VanDerWaalsContact O-N 3.11Å; N103-K106 PolarHBondContact O-N 3.44Å; N103-K106 VanDerWaalsContact O-N 3.15Å; L104-K106 VanDerWaalsContact C-N 3.25Å; L104-K106 PolarHBondContact O-N 2.89Å; K106-P108 WeakPolarHBondContact O-CD 3.45Å
107D77.2Confident84.1Confident35 Ų3547.8 Ų47.819%0.18723%0.228CC..  trans-72.3118.3-178-166.2-32000109.1K48 N103 L104 R109 H110K48-D107 WeakPolarHBondContact CE-O 3.4Å; K48-D107 PolarHBondContact NZ-O 3.46Å; N103-D107 PolarHBondContact O-N 3.12Å; L104-D107 PolarHBondContact O-N 3.35Å; D107-R109 PolarHBondContact O-N 2.97Å; D107-R109 VanDerWaalsContact OD1-CB 3.29Å; D107-R109 WeakPolarHBondContact OD1-CB 3.47Å; D107-R109 WeakPolarHBondContact OD1-CG 3.29Å; D107-R109 IonicContact OD1-CZ 3.59Å; D107-R109 PolarHBondContact OD1-N 3.2Å; D107-R109 IonicContact OD1-NE 2.96Å; D107-R109 PolarHBondContact OD1-NE 3.36Å; D107-R109 IonicContact OD1-NH2 3.25Å; D107-R109 IonicContact OD2-CZ 2.8Å; D107-R109 IonicContact OD2-NE 3.15Å; D107-R109 PolarHBondContact OD2-NE 2.9Å; D107-R109 IonicContact OD2-NH2 3.68Å; D107-R109 PolarHBondContact OD2-NH2 3.3Å; D107-H110 PolarHBondContact O-N 2.96Å; D107-H110 IonicContact OD2-ND1 2.77Å
108P76Confident84.7Confident58 Ų5845.5 Ų45.538%0.37722%0.218SC..THydrogen-bonded Turntrans-66.6-16.2-179.127.7-35000113.1K106 L516 L519K106-P108 WeakPolarHBondContact O-CD 3.45Å; P108-L516 HydrophobicContact CB-CD2 4.11Å; P108-L516 HydrophobicContact CG-CD2 3.56Å; P108-L519 HydrophobicContact CG-CD1 4.02Å
109R76.8Confident85.1Confident96 Ų9647.1 Ų47.136%0.36223%0.227SC..THydrogen-bonded Turntrans-75-22.1-178-61.2176.5-67.8-168.50.2114.1D107 E520D107-R109 PolarHBondContact O-N 2.97Å; D107-R109 VanDerWaalsContact OD1-CB 3.29Å; D107-R109 WeakPolarHBondContact OD1-CB 3.47Å; D107-R109 WeakPolarHBondContact OD1-CG 3.29Å; D107-R109 IonicContact OD1-CZ 3.59Å; D107-R109 PolarHBondContact OD1-N 3.2Å; D107-R109 IonicContact OD1-NE 2.96Å; D107-R109 PolarHBondContact OD1-NE 3.36Å; D107-R109 IonicContact OD1-NH2 3.25Å; D107-R109 IonicContact OD2-CZ 2.8Å; D107-R109 IonicContact OD2-NE 3.15Å; D107-R109 PolarHBondContact OD2-NE 2.9Å; D107-R109 IonicContact OD2-NH2 3.68Å; D107-R109 PolarHBondContact OD2-NH2 3.3Å; R109-E520 IonicContact NH1-OE2 2.84Å; R109-E520 PolarHBondContact NH1-OE2 2.76Å; R109-E520 VanDerWaalsContact NH1-OE2 3.09Å
110H84.4Confident85.8Confident26 Ų2643.9 Ų43.912%0.1221%0.209CC..SBendtrans-104.7104.2-176.7-72.391.4000110.4K48 E73 L104 D107 C112K48-H110 WeakPolarHBondContact CE-O 3.31Å; K48-H110 PolarHBondContact NZ-O 3.33Å; E73-H110 PolarHBondContact O-CD2 2.96Å; E73-H110 PolarHBondContact O-NE2 3.49Å; L104-H110 HydrophobicContact CD1-CB 3.88Å; L104-H110 VanDerWaalsContact CD1-CD2 3.4Å; L104-H110 WeakPolarHBondContact CD1-CD2 3.41Å; L104-H110 HydrophobicContact CG-CB 4.39Å; D107-H110 PolarHBondContact O-N 2.96Å; D107-H110 IonicContact OD2-ND1 2.77Å; H110-C112 VanDerWaalsContact C-N 3.27Å; H110-C112 PolarHBondContact O-N 2.79Å; H110-C112 PolarHBondContact O-SG 2.78Å; H110-C112 VanDerWaalsContact O-SG 3.34Å
111D87.6Confident85.9Confident30 Ų3043.6 Ų43.616%0.1621%0.21CC..  trans-66.381.6-179-67.1-46.8000113.2L50 P51 Q78 G79 V80L50-D111 HydrophobicContact CD2-CB 4.38Å; L50-D111 WeakPolarHBondContact CD2-O 3.47Å; P51-D111 HydrophobicContact CG-CB 4.31Å; Q78-D111 HydrophobicContact CB-CB 4.16Å; Q78-D111 HydrophobicContact CG-CB 4.44Å; G79-D111 CarbonylContact C-O 3.58Å; G79-D111 WeakPolarHBondContact CA-O 3.49Å; G79-D111 PolarHBondContact N-O 2.96Å; V80-D111 PolarHBondContact N-O 3.23Å
112C91.4Very high85.8Confident4 Ų449.9 Ų49.93%0.02724%0.238CC..EExtended strand (participates in β ladder)trans-142.6147.3-178.567.30000112.1K48 V80 F82 H110K48-C112 WeakPolarHBondContact CD-O 3.39Å; K48-C112 PolarHBondContact NZ-O 3.41Å; V80-C112 HydrophobicContact CB-CB 3.95Å; V80-C112 CarbonylContact O-C 3.59Å; V80-C112 WeakPolarHBondContact O-CA 3.45Å; V80-C112 WeakPolarHBondContact O-CB 3.16Å; F82-C112 HydrophobicContact CD2-CB 4.06Å; F82-C112 HydrophobicContact CE2-CB 3.79Å; H110-C112 VanDerWaalsContact C-N 3.27Å; H110-C112 PolarHBondContact O-N 2.79Å; H110-C112 PolarHBondContact O-SG 2.78Å; H110-C112 VanDerWaalsContact O-SG 3.34Å
113V92.1Very high85.8Confident6 Ų644.1 Ų44.14%0.03622%0.216CC..EExtended strand (participates in β ladder)trans-136158.4-175-630000111.2F33 L50 V80 V81 F82 L105F33-V113 HydrophobicContact CB-CB 3.98Å; F33-V113 HydrophobicContact CB-CG1 3.69Å; F33-V113 HydrophobicContact CB-CG2 4.32Å; F33-V113 HydrophobicContact CG-CG1 4.47Å; L50-V113 HydrophobicContact CD1-CG2 3.72Å; L50-V113 HydrophobicContact CD2-CG1 3.85Å; L50-V113 HydrophobicContact CD2-CG2 4.2Å; L50-V113 HydrophobicContact CG-CB 4.43Å; L50-V113 HydrophobicContact CG-CG1 3.76Å; L50-V113 HydrophobicContact CG-CG2 3.81Å; V80-V113 PolarHBondContact O-N 3.13Å; V81-V113 HydrophobicContact CB-CG2 4.49Å; V81-V113 HydrophobicContact CG1-CG2 4.38Å; V81-V113 HydrophobicContact CG2-CG2 4.16Å; F82-V113 PolarHBondContact N-O 3.24Å; L105-V113 VanDerWaalsContact CD2-C 3.44Å
114L91.6Very high86Confident64 Ų6440.9 Ų40.934%0.33520%0.196SC..EExtended strand (participates in β ladder)trans-104.9110.9175.8179.966.5000109.9F82 C87 L105F82-L114 HydrophobicContact CB-CD1 4.48Å; F82-L114 CarbonylContact O-C 2.9Å; F82-L114 WeakPolarHBondContact O-CA 3.03Å; C87-L114 HydrophobicContact CB-CD1 3.9Å; L105-L114 HydrophobicContact CD1-CB 3.9Å; L105-L114 HydrophobicContact CD1-CD2 4.38Å; L105-L114 HydrophobicContact CD1-CG 4.5Å; L105-L114 HydrophobicContact CD2-CB 4.05Å
115F92.1Very high85.8Confident0 Ų040.7 Ų40.70%020%0.196CC..EExtended strand (participates in β ladder)trans-92.6123177.1-179.2-121.5000111.8V30 V81 F82 Q84 N117 Q120 A148 W151 Y152V30-F115 HydrophobicContact CB-CE2 4.5Å; V30-F115 HydrophobicContact CG1-CD2 4.43Å; V30-F115 HydrophobicContact CG1-CE2 4.05Å; V81-F115 HydrophobicContact CG1-CB 3.72Å; F82-F115 PolarHBondContact O-N 3.34Å; Q84-F115 PolarHBondContact N-O 3.45Å; F115-N117 HydrophobicContact CD1-CB 3.6Å; F115-N117 HydrophobicContact CE1-CB 3.62Å; F115-N117 PolarHBondContact O-N 3Å; F115-N117 PolarHBondContact O-OD1 2.88Å; F115-Q120 HydrophobicContact CZ-CB 4.05Å; F115-Q120 HydrophobicContact CZ-CG 3.99Å; F115-A148 HydrophobicContact CD1-CB 3.97Å; F115-A148 HydrophobicContact CE1-CB 3.92Å; F115-W151 HydrophobicContact CD2-CZ3 4.24Å; F115-W151 HydrophobicContact CE1-CE3 4.15Å; F115-W151 HydrophobicContact CE1-CZ3 4.49Å; F115-W151 AromaticContact CE2-CE3 3.8Å; F115-W151 HydrophobicContact CE2-CE3 3.8Å; F115-W151 AromaticContact CE2-CH2 3.73Å; F115-W151 HydrophobicContact CE2-CH2 3.73Å; F115-W151 AromaticContact CE2-CZ3 3.34Å; F115-W151 HydrophobicContact CE2-CZ3 3.34Å; F115-W151 AromaticContact CZ-CD2 3.93Å; F115-W151 HydrophobicContact CZ-CD2 3.93Å; F115-W151 AromaticContact CZ-CE3 3.41Å; F115-W151 HydrophobicContact CZ-CE3 3.41Å; F115-W151 VanDerWaalsContact CZ-CE3 3.41Å; F115-W151 HydrophobicContact CZ-CH2 4.05Å; F115-W151 AromaticContact CZ-CZ3 3.49Å; F115-W151 HydrophobicContact CZ-CZ3 3.49Å; F115-W151 VanDerWaalsContact CZ-CZ3 3.49Å; F115-Y152 HydrophobicContact CB-CE2 4.1Å; F115-Y152 AromaticContact CD1-CE2 3.76Å; F115-Y152 HydrophobicContact CD1-CE2 3.76Å; F115-Y152 AromaticContact CD2-CE2 3.68Å; F115-Y152 HydrophobicContact CD2-CE2 3.68Å; F115-Y152 AromaticContact CD2-CZ 4Å; F115-Y152 WeakPolarHBondContact CD2-OH 3.42Å; F115-Y152 HydrophobicContact CE1-CE2 4.05Å; F115-Y152 AromaticContact CE2-CE2 3.97Å; F115-Y152 HydrophobicContact CE2-CE2 3.97Å; F115-Y152 AromaticContact CG-CE2 3.57Å; F115-Y152 HydrophobicContact CG-CE2 3.57Å; F115-Y152 HydrophobicContact CZ-CE2 4.15Å
116A90.6Very high85.5Confident30 Ų3043 Ų4325%0.24821%0.213CC..  trans-79.657.1-177.900000113V30 E118 F119 Q120V30-A116 HydrophobicContact CG1-CB 3.91Å; A116-E118 VanDerWaalsContact C-N 3.26Å; A116-E118 PolarHBondContact O-N 2.92Å; A116-F119 HydrophobicContact CB-CD2 4.22Å; A116-F119 PolarHBondContact O-N 2.83Å; A116-Q120 PolarHBondContact O-N 3.22Å
117N89.3Confident85.3Confident0 Ų040.9 Ų40.90%020%0.2CC..G310 helixtrans-61-27.4-173.668.2-46.6000114.6Q84 T85 F115 F119 Q120 S123 A148Q84-N117 WeakPolarHBondContact CB-OD1 3.34Å; Q84-N117 PolarHBondContact N-OD1 2.84Å; T85-N117 PolarHBondContact N-OD1 2.82Å; T85-N117 PolarHBondContact OG1-ND2 3.38Å; T85-N117 PolarHBondContact OG1-OD1 3.48Å; F115-N117 HydrophobicContact CD1-CB 3.6Å; F115-N117 HydrophobicContact CE1-CB 3.62Å; F115-N117 PolarHBondContact O-N 3Å; F115-N117 PolarHBondContact O-OD1 2.88Å; N117-F119 PolarHBondContact O-N 3.04Å; N117-Q120 PolarHBondContact O-N 3.34Å; N117-S123 VanDerWaalsContact CA-OG 3.29Å; N117-S123 WeakPolarHBondContact CA-OG 3.32Å; N117-S123 WeakPolarHBondContact CB-OG 3.47Å; N117-S123 PolarHBondContact O-OG 2.68Å; N117-A148 HydrophobicContact CB-CB 4.43Å
118E87.1Confident85.3Confident6 Ų644.2 Ų44.23%0.02822%0.215CC..G310 helixtrans-66.7-26.5175.3-73.5-84.1151.300112.4K6 H24 L26 A116 Y124 H144K6-E118 IonicContact NZ-OE2 3.19Å; H24-E118 PolarHBondContact CE1-O 3.06Å; H24-E118 VanDerWaalsContact CE1-O 3.31Å; H24-E118 PolarHBondContact NE2-O 2.78Å; L26-E118 WeakPolarHBondContact CD2-O 3.27Å; A116-E118 VanDerWaalsContact C-N 3.26Å; A116-E118 PolarHBondContact O-N 2.92Å; E118-Y124 WeakPolarHBondContact O-CD2 3.39Å; E118-H144 IonicContact OE1-CE1 2.97Å; E118-H144 PolarHBondContact OE1-CE1 3.26Å; E118-H144 IonicContact OE1-ND1 3.88Å; E118-H144 PolarHBondContact OE1-ND1 2.94Å
119F88.6Confident85.3Confident79 Ų7952 Ų5235%0.34624%0.243SC..G310 helixtrans-100.3-3-179.9-58.7-57.3000113H24 L26 R27 A116 N117H24-F119 AromaticContact CE1-CD1 3.52Å; H24-F119 AromaticContact CE1-CE1 3.48Å; H24-F119 VanDerWaalsContact CE1-CE1 3.48Å; H24-F119 WeakPolarHBondContact CE1-CE1 3.47Å; H24-F119 AromaticContact ND1-CE1 3.77Å; L26-F119 CarbonylContact C-O 3.56Å; L26-F119 WeakPolarHBondContact CA-O 3.49Å; R27-F119 PolarHBondContact N-O 3.39Å; A116-F119 HydrophobicContact CB-CD2 4.22Å; A116-F119 PolarHBondContact O-N 2.83Å; N117-F119 PolarHBondContact O-N 3.04Å
120Q89.4Confident85Confident0 Ų051.8 Ų51.80%027%0.27CS..BIsolated β-bridgetrans-94.1128.1178.5-159.9-64-37.500109.5R27 E28 V30 F115 A116 N117 F122 S123 Y124 W151R27-Q120 WeakPolarHBondContact O-CA 3.39Å; E28-Q120 PolarHBondContact O-NE2 3.49Å; V30-Q120 HydrophobicContact CB-CB 4.19Å; V30-Q120 HydrophobicContact CB-CG 3.97Å; V30-Q120 HydrophobicContact CG2-CB 3.75Å; V30-Q120 HydrophobicContact CG2-CG 3.82Å; F115-Q120 HydrophobicContact CZ-CB 4.05Å; F115-Q120 HydrophobicContact CZ-CG 3.99Å; A116-Q120 PolarHBondContact O-N 3.22Å; N117-Q120 PolarHBondContact O-N 3.34Å; Q120-F122 VanDerWaalsContact NE2-CD2 3.27Å; Q120-F122 PolarHBondContact O-N 2.9Å; Q120-F122 VanDerWaalsContact OE1-CA 3.26Å; Q120-S123 WeakPolarHBondContact CB-OG 3.4Å; Q120-S123 PolarHBondContact O-N 2.93Å; Q120-S123 PolarHBondContact OE1-OG 3.42Å; Q120-Y124 VanDerWaalsContact O-CB 3.26Å; Q120-Y124 WeakPolarHBondContact O-CB 3.39Å; Q120-Y124 PolarHBondContact O-N 2.92Å; Q120-W151 HydrophobicContact CG-CZ2 4.24Å
121E85.6Confident84.7Confident47 Ų4751.3 Ų51.322%0.2227%0.268CS..THydrogen-bonded Turntrans-58.5-42-171.2-179.5173157.900115.5I2 L26 R27 E28I2-E121 HydrophobicContact CD1-CG 4.08Å; I2-E121 WeakPolarHBondContact CD1-OE1 3.18Å; I2-E121 WeakPolarHBondContact CD1-OE2 3.27Å; L26-E121 HydrophobicContact CB-CB 4.27Å; R27-E121 PolarHBondContact O-N 3.39Å; R27-E121 VanDerWaalsContact O-N 3.08Å; E28-E121 WeakPolarHBondContact CG-OE2 3.24Å
122F83.9Confident83.9Confident132 Ų13252.8 Ų52.858%0.57928%0.281SS*.THydrogen-bonded Turntrans-86.5-16.5-176-56.5-60.3000113.7Q120Q120-F122 VanDerWaalsContact NE2-CD2 3.27Å; Q120-F122 PolarHBondContact O-N 2.9Å; Q120-F122 VanDerWaalsContact OE1-CA 3.26Å
123S85.1Confident82.8Confident0 Ų056.8 Ų56.80%030%0.299CS..THydrogen-bonded Turntrans-101.2-12.7174.969.30000114.2N117 Q120N117-S123 VanDerWaalsContact CA-OG 3.29Å; N117-S123 WeakPolarHBondContact CA-OG 3.32Å; N117-S123 WeakPolarHBondContact CB-OG 3.47Å; N117-S123 PolarHBondContact O-OG 2.68Å; Q120-S123 WeakPolarHBondContact CB-OG 3.4Å; Q120-S123 PolarHBondContact O-N 2.93Å; Q120-S123 PolarHBondContact OE1-OG 3.42Å
124Y85.1Confident81.6Confident37 Ų3763.6 Ų63.615%0.14533%0.33CS..  trans-74.8127.2-179.4177.7-105.2000112.4T4 H24 L26 E118 Q120 P126T4-Y124 HydrophobicContact CG2-CE1 4.38Å; H24-Y124 AromaticContact CD2-CE2 3.93Å; H24-Y124 AromaticContact NE2-CD2 3.84Å; H24-Y124 AromaticContact NE2-CE2 3.54Å; L26-Y124 HydrophobicContact CD1-CD1 3.67Å; L26-Y124 HydrophobicContact CD1-CE1 4.27Å; L26-Y124 HydrophobicContact CD1-CG 4.23Å; L26-Y124 HydrophobicContact CD2-CD1 3.78Å; L26-Y124 HydrophobicContact CD2-CD2 3.98Å; L26-Y124 HydrophobicContact CD2-CE1 4.38Å; L26-Y124 HydrophobicContact CD2-CG 3.54Å; L26-Y124 HydrophobicContact CG-CD1 4.35Å; E118-Y124 WeakPolarHBondContact O-CD2 3.39Å; Q120-Y124 VanDerWaalsContact O-CB 3.26Å; Q120-Y124 WeakPolarHBondContact O-CB 3.39Å; Q120-Y124 PolarHBondContact O-N 2.92Å; Y124-P126 HydrophobicContact CE1-CB 4.07Å
125C82Confident80.4Confident10 Ų1067.2 Ų67.27%0.06834%0.343CS..  trans-112.9117.4172.5-56.50000111.8K143 H144C125-K143 HydrophobicContact CB-CD 4.35Å; C125-H144 WeakPolarHBondContact CA-NE2 3.39Å; C125-H144 WeakPolarHBondContact CB-CD2 3.31Å; C125-H144 WeakPolarHBondContact CB-NE2 3.47Å; C125-H144 PolarHBondContact N-NE2 2.93Å; C125-H144 PolarHBondContact O-NE2 3.21Å; C125-H144 VanDerWaalsContact SG-CD2 3.58Å
126P78.3Confident79.3Confident79 Ų7968.7 Ų68.751%0.51335%0.349SS..PPolyproline II helixtrans-73.1159.4176.729.6-34.1000112.6Y124Y124-P126 HydrophobicContact CE1-CB 4.07Å
127R76.9Confident78.3Confident120 Ų12070.5 Ų70.545%0.45335%0.352SS..PPolyproline II helixtrans-70.8133.4172.5-175.4166174-178.23.6111.5E131 W136R127-E131 VanDerWaalsContact CZ-O 3.31Å; R127-E131 PolarHBondContact NE-O 2.76Å; R127-E131 VanDerWaalsContact NE-O 3.12Å; R127-E131 PolarHBondContact NH2-O 3.28Å; R127-W136 VanDerWaalsContact CA-CD1 3.49Å; R127-W136 HydrophobicContact CB-CD2 4.31Å; R127-W136 HydrophobicContact CB-CG 4.14Å; R127-W136 HydrophobicContact CG-CB 4.33Å; R127-W136 VanDerWaalsContact CG-CD1 3.45Å; R127-W136 HydrophobicContact CG-CD2 4.26Å; R127-W136 HydrophobicContact CG-CG 3.74Å
128E78.3Confident77.2Confident105 Ų10574.2 Ų74.249%0.49138%0.375SS..PPolyproline II helixtrans-78.6149.1176.8-72.6171.3-157.300111.2G130 E131 R139E128-G130 PolarHBondContact O-N 2.71Å; E128-E131 HydrophobicContact CB-CB 4.43Å; E128-E131 PolarHBondContact N-OE2 2.77Å; E128-E131 WeakPolarHBondContact O-CB 3.32Å; E128-E131 PolarHBondContact O-N 2.84Å; E128-R139 IonicContact OE1-CZ 3.65Å; E128-R139 VanDerWaalsContact OE1-CZ 3.27Å; E128-R139 IonicContact OE1-NH1 2.75Å; E128-R139 PolarHBondContact OE1-NH1 2.84Å; E128-R139 IonicContact OE1-NH2 3.93Å
129K74.2Confident76.4Confident221 Ų22176.8 Ų76.896%0.96138%0.384SS*.THydrogen-bonded Turntrans-66.6126.7-179.5-70.8-177.5-179.5176.10109.9
130G71.7Confident75.6Confident91 Ų9173.1 Ų73.194%0.93837%0.368SS*.THydrogen-bonded Turntrans88.2-2.4178.500000115.1E128E128-G130 PolarHBondContact O-N 2.71Å
131E77Confident74.9Confident17 Ų1775.3 Ų75.38%0.07938%0.377CS..  trans-76.5134.9177.5-167.5176.3-156.600111.5R127 E128 K135 W136 R139R127-E131 VanDerWaalsContact CZ-O 3.31Å; R127-E131 PolarHBondContact NE-O 2.76Å; R127-E131 VanDerWaalsContact NE-O 3.12Å; R127-E131 PolarHBondContact NH2-O 3.28Å; E128-E131 HydrophobicContact CB-CB 4.43Å; E128-E131 PolarHBondContact N-OE2 2.77Å; E128-E131 WeakPolarHBondContact O-CB 3.32Å; E128-E131 PolarHBondContact O-N 2.84Å; E131-K135 HydrophobicContact CG-CB 4.12Å; E131-K135 HydrophobicContact CG-CD 4.42Å; E131-K135 HydrophobicContact CG-CG 4.19Å; E131-W136 VanDerWaalsContact CD-CA 3.44Å; E131-W136 HydrophobicContact CG-CB 3.96Å; E131-W136 WeakPolarHBondContact OE1-CA 3.46Å; E131-W136 PolarHBondContact OE1-N 3.16Å; E131-W136 VanDerWaalsContact OE2-CD1 3.25Å; E131-R139 IonicContact OE1-CZ 3.95Å; E131-R139 IonicContact OE1-NE 3.11Å; E131-R139 PolarHBondContact OE1-NE 2.86Å; E131-R139 IonicContact OE1-NH2 2.74Å; E131-R139 PolarHBondContact OE1-NH2 2.78Å; E131-R139 IonicContact OE2-CZ 3.9Å; E131-R139 IonicContact OE2-NE 3.77Å; E131-R139 IonicContact OE2-NH2 3.72Å; E131-R139 PolarHBondContact OE2-NH2 3.03Å
132S71.3Confident74.5Confident61 Ų6173.3 Ų73.343%0.42737%0.368SS..  trans-67.9159.317473.60000111.2E134 K135 W136S132-E134 VanDerWaalsContact C-N 3.26Å; S132-E134 PolarHBondContact O-N 3.28Å; S132-K135 VanDerWaalsContact OG-CB 3.22Å; S132-K135 WeakPolarHBondContact OG-CB 3.41Å; S132-K135 PolarHBondContact OG-N 2.88Å; S132-K135 VanDerWaalsContact OG-N 3.14Å; S132-W136 WeakPolarHBondContact O-CB 3.49Å; S132-W136 PolarHBondContact O-N 2.97Å
133Q68.1Low74.4Confident87 Ų8770.7 Ų70.741%0.40736%0.357SS..Hα-helixtrans-62.1-37.6-179.9-175.866.725.300111.7Q137Q133-Q137 WeakPolarHBondContact O-CB 3.2Å; Q133-Q137 VanDerWaalsContact O-CG 3.24Å; Q133-Q137 WeakPolarHBondContact O-CG 3.21Å; Q133-Q137 PolarHBondContact O-N 2.85Å
134E66.5Low74.2Confident149 Ų14970.7 Ų70.770%0.69636%0.357SS*.Hα-helixtrans-72.1-47.4-178.5-169.6170.3-158.800111.4S132 W136 Q137 T138S132-E134 VanDerWaalsContact C-N 3.26Å; S132-E134 PolarHBondContact O-N 3.28Å; E134-W136 VanDerWaalsContact C-N 3.29Å; E134-W136 PolarHBondContact O-N 2.77Å; E134-Q137 PolarHBondContact O-N 2.88Å; E134-Q137 VanDerWaalsContact O-N 3.13Å; E134-T138 PolarHBondContact O-N 3.46Å; E134-T138 PolarHBondContact O-OG1 3.21Å
135K67.8Low74.2Confident141 Ų14169 Ų6961%0.61335%0.35SS*.Hα-helixtrans-62.2-38.8174.3-171.3174.6-178.6176.80111.8E131 S132 R139E131-K135 HydrophobicContact CG-CB 4.12Å; E131-K135 HydrophobicContact CG-CD 4.42Å; E131-K135 HydrophobicContact CG-CG 4.19Å; S132-K135 VanDerWaalsContact OG-CB 3.22Å; S132-K135 WeakPolarHBondContact OG-CB 3.41Å; S132-K135 PolarHBondContact OG-N 2.88Å; S132-K135 VanDerWaalsContact OG-N 3.14Å; K135-R139 VanDerWaalsContact O-CB 3.29Å; K135-R139 WeakPolarHBondContact O-CB 3.42Å; K135-R139 PolarHBondContact O-N 3.36Å; K135-R139 VanDerWaalsContact O-N 3.09Å
136W69.4Low74.5Confident31 Ų3169.8 Ų69.812%0.11735%0.352CS..Hα-helixtrans-61.8-48172.7179.267.4000111R127 E131 S132 E134 R139 V140R127-W136 VanDerWaalsContact CA-CD1 3.49Å; R127-W136 HydrophobicContact CB-CD2 4.31Å; R127-W136 HydrophobicContact CB-CG 4.14Å; R127-W136 HydrophobicContact CG-CB 4.33Å; R127-W136 VanDerWaalsContact CG-CD1 3.45Å; R127-W136 HydrophobicContact CG-CD2 4.26Å; R127-W136 HydrophobicContact CG-CG 3.74Å; E131-W136 VanDerWaalsContact CD-CA 3.44Å; E131-W136 HydrophobicContact CG-CB 3.96Å; E131-W136 WeakPolarHBondContact OE1-CA 3.46Å; E131-W136 PolarHBondContact OE1-N 3.16Å; E131-W136 VanDerWaalsContact OE2-CD1 3.25Å; S132-W136 WeakPolarHBondContact O-CB 3.49Å; S132-W136 PolarHBondContact O-N 2.97Å; E134-W136 VanDerWaalsContact C-N 3.29Å; E134-W136 PolarHBondContact O-N 2.77Å; W136-R139 PolarHBondContact O-N 3.49Å; W136-V140 VanDerWaalsContact CD1-CG2 3.43Å; W136-V140 HydrophobicContact CD2-CG2 4.06Å; W136-V140 HydrophobicContact CG-CG2 3.98Å; W136-V140 HydrophobicContact CZ2-CG2 4.22Å; W136-V140 WeakPolarHBondContact O-CB 3.4Å; W136-V140 WeakPolarHBondContact O-CG2 3.34Å; W136-V140 PolarHBondContact O-N 3.28Å
137Q68.9Low74.9Confident68 Ų6866.9 Ų66.932%0.31833%0.334SS..Hα-helixtrans-58.9-50.9179.5-80.7170.8-28.100112.4Q133 E134 V140 Y141Q133-Q137 WeakPolarHBondContact O-CB 3.2Å; Q133-Q137 VanDerWaalsContact O-CG 3.24Å; Q133-Q137 WeakPolarHBondContact O-CG 3.21Å; Q133-Q137 PolarHBondContact O-N 2.85Å; E134-Q137 PolarHBondContact O-N 2.88Å; E134-Q137 VanDerWaalsContact O-N 3.13Å; Q137-V140 PolarHBondContact O-N 3.29Å; Q137-Y141 HydrophobicContact CB-CE2 3.93Å; Q137-Y141 WeakPolarHBondContact O-CB 3.31Å; Q137-Y141 WeakPolarHBondContact O-CD1 3.31Å; Q137-Y141 WeakPolarHBondContact O-CD2 3.47Å; Q137-Y141 PolarHBondContact O-N 2.87Å
138T65.8Low75.5Confident77 Ų7761.2 Ų61.247%0.47231%0.313SS..Hα-helixtrans-61.7-48.1179.8-50.60000111.9E134 V140E134-T138 PolarHBondContact O-N 3.46Å; E134-T138 PolarHBondContact O-OG1 3.21Å; T138-V140 VanDerWaalsContact C-N 3.34Å; T138-V140 PolarHBondContact O-N 2.91Å
139R71.6Confident76Confident60 Ų6056.2 Ų56.223%0.22629%0.289CS..Hα-helixtrans-64.2-38.7178.2-174.8-177.565.797.4-0.8112.5E128 E131 K135 W136 K143E128-R139 IonicContact OE1-CZ 3.65Å; E128-R139 VanDerWaalsContact OE1-CZ 3.27Å; E128-R139 IonicContact OE1-NH1 2.75Å; E128-R139 PolarHBondContact OE1-NH1 2.84Å; E128-R139 IonicContact OE1-NH2 3.93Å; E131-R139 IonicContact OE1-CZ 3.95Å; E131-R139 IonicContact OE1-NE 3.11Å; E131-R139 PolarHBondContact OE1-NE 2.86Å; E131-R139 IonicContact OE1-NH2 2.74Å; E131-R139 PolarHBondContact OE1-NH2 2.78Å; E131-R139 IonicContact OE2-CZ 3.9Å; E131-R139 IonicContact OE2-NE 3.77Å; E131-R139 IonicContact OE2-NH2 3.72Å; E131-R139 PolarHBondContact OE2-NH2 3.03Å; K135-R139 VanDerWaalsContact O-CB 3.29Å; K135-R139 WeakPolarHBondContact O-CB 3.42Å; K135-R139 PolarHBondContact O-N 3.36Å; K135-R139 VanDerWaalsContact O-N 3.09Å; W136-R139 PolarHBondContact O-N 3.49Å; R139-K143 WeakPolarHBondContact O-CB 3.34Å; R139-K143 PolarHBondContact O-N 2.82Å; R139-K143 VanDerWaalsContact O-N 3.11Å
140V71.2Confident76.7Confident2 Ų247 Ų471%0.01225%0.252CS..Hα-helixtrans-72.4-37.5-177.21650000111.9T85 W136 Q137 T138 C142 K143 H144T85-V140 HydrophobicContact CG2-CG1 4.43Å; W136-V140 VanDerWaalsContact CD1-CG2 3.43Å; W136-V140 HydrophobicContact CD2-CG2 4.06Å; W136-V140 HydrophobicContact CG-CG2 3.98Å; W136-V140 HydrophobicContact CZ2-CG2 4.22Å; W136-V140 WeakPolarHBondContact O-CB 3.4Å; W136-V140 WeakPolarHBondContact O-CG2 3.34Å; W136-V140 PolarHBondContact O-N 3.28Å; Q137-V140 PolarHBondContact O-N 3.29Å; T138-V140 VanDerWaalsContact C-N 3.34Å; T138-V140 PolarHBondContact O-N 2.91Å; V140-C142 PolarHBondContact O-N 3.42Å; V140-K143 PolarHBondContact O-N 3.35Å; V140-H144 VanDerWaalsContact CG1-CE1 3.49Å; V140-H144 WeakPolarHBondContact CG1-CE1 3.29Å; V140-H144 WeakPolarHBondContact O-CB 3.5Å; V140-H144 PolarHBondContact O-N 3.48Å
141Y74.8Confident77.6Confident46 Ų4643.8 Ų43.818%0.1821%0.211CC..Hα-helixtrans-60.1-47.6-180-65.3-24.4000112.3A62 T85 A89 Q137 S145A62-Y141 HydrophobicContact CB-CD1 3.66Å; A62-Y141 HydrophobicContact CB-CD2 3.95Å; A62-Y141 HydrophobicContact CB-CE1 4.25Å; A62-Y141 HydrophobicContact CB-CG 3.5Å; A62-Y141 VanDerWaalsContact CB-CG 3.5Å; T85-Y141 HydrophobicContact CG2-CD1 3.56Å; T85-Y141 HydrophobicContact CG2-CE1 3.79Å; A89-Y141 HydrophobicContact CB-CE1 4.25Å; Q137-Y141 HydrophobicContact CB-CE2 3.93Å; Q137-Y141 WeakPolarHBondContact O-CB 3.31Å; Q137-Y141 WeakPolarHBondContact O-CD1 3.31Å; Q137-Y141 WeakPolarHBondContact O-CD2 3.47Å; Q137-Y141 PolarHBondContact O-N 2.87Å; Y141-S145 WeakPolarHBondContact O-CB 3.4Å; Y141-S145 PolarHBondContact O-N 3.44Å; Y141-S145 PolarHBondContact O-OG 2.96Å
142C77.2Confident78.2Confident5 Ų543 Ų433%0.03421%0.207CC..Hα-helixtrans-69.4-46.5175.7-58.90000111.4V140 H144 S145 Y146 M164 D168 A171V140-C142 PolarHBondContact O-N 3.42Å; C142-H144 PolarHBondContact O-N 3.17Å; C142-S145 PolarHBondContact O-N 3.11Å; C142-Y146 WeakPolarHBondContact O-CB 3.46Å; C142-Y146 PolarHBondContact O-N 2.95Å; C142-M164 HydrophobicContact CB-CE 4.23Å; C142-M164 WeakPolarHBondContact O-CE 3.25Å; C142-D168 PolarHBondContact SG-OD2 3.1Å; C142-A171 HydrophobicContact CB-CB 3.95Å
143K80.4Confident79Confident78 Ų7842 Ų4234%0.33920%0.195SC..Hα-helixtrans-67-37.9-176-167.6178.6177.4176.90113.4C125 R139 V140 A147C125-K143 HydrophobicContact CB-CD 4.35Å; R139-K143 WeakPolarHBondContact O-CB 3.34Å; R139-K143 PolarHBondContact O-N 2.82Å; R139-K143 VanDerWaalsContact O-N 3.11Å; V140-K143 PolarHBondContact O-N 3.35Å; K143-A147 VanDerWaalsContact O-CB 3.23Å; K143-A147 WeakPolarHBondContact O-CB 3.36Å; K143-A147 PolarHBondContact O-N 2.88Å
144H81.9Confident79.9Confident0 Ų042.6 Ų42.60%020%0.201CC..Hα-helixtrans-65.6-40.2175.5-84.8-160.4000111.6T85 E118 C125 V140 C142 A148T85-H144 PolarHBondContact OG1-ND1 2.99Å; E118-H144 IonicContact OE1-CE1 2.97Å; E118-H144 PolarHBondContact OE1-CE1 3.26Å; E118-H144 IonicContact OE1-ND1 3.88Å; E118-H144 PolarHBondContact OE1-ND1 2.94Å; C125-H144 WeakPolarHBondContact CA-NE2 3.39Å; C125-H144 WeakPolarHBondContact CB-CD2 3.31Å; C125-H144 WeakPolarHBondContact CB-NE2 3.47Å; C125-H144 PolarHBondContact N-NE2 2.93Å; C125-H144 PolarHBondContact O-NE2 3.21Å; C125-H144 VanDerWaalsContact SG-CD2 3.58Å; V140-H144 VanDerWaalsContact CG1-CE1 3.49Å; V140-H144 WeakPolarHBondContact CG1-CE1 3.29Å; V140-H144 WeakPolarHBondContact O-CB 3.5Å; V140-H144 PolarHBondContact O-N 3.48Å; C142-H144 PolarHBondContact O-N 3.17Å; H144-A148 VanDerWaalsContact O-CB 3.29Å; H144-A148 WeakPolarHBondContact O-CB 2.86Å; H144-A148 PolarHBondContact O-N 2.92Å
145S84.8Confident80.8Confident0 Ų037.3 Ų37.30%018%0.176CC..Hα-helixtrans-70-42.2-179.5-51.40000110.5D61 Y141 C142 A148 A149D61-S145 WeakPolarHBondContact CA-OG 3.4Å; Y141-S145 WeakPolarHBondContact O-CB 3.4Å; Y141-S145 PolarHBondContact O-N 3.44Å; Y141-S145 PolarHBondContact O-OG 2.96Å; C142-S145 PolarHBondContact O-N 3.11Å; S145-A148 PolarHBondContact O-N 2.92Å; S145-A149 PolarHBondContact O-N 2.63Å
146Y88.1Confident81.7Confident28 Ų2830.6 Ų30.611%0.1115%0.147CC..Hα-helixtrans-62.1-47.9172.5179.9-105000112.3C142 A148 A149 V150 M164 F175 L178 V182 V184C142-Y146 WeakPolarHBondContact O-CB 3.46Å; C142-Y146 PolarHBondContact O-N 2.95Å; Y146-A148 VanDerWaalsContact C-N 3.29Å; Y146-A148 PolarHBondContact O-N 3.23Å; Y146-A149 PolarHBondContact O-N 3.36Å; Y146-A149 VanDerWaalsContact O-N 3.14Å; Y146-V150 HydrophobicContact CD1-CG2 4.18Å; Y146-V150 HydrophobicContact CD2-CG2 4.31Å; Y146-V150 HydrophobicContact CE1-CG2 3.68Å; Y146-V150 HydrophobicContact CE2-CG2 3.82Å; Y146-V150 HydrophobicContact CG-CG2 4.47Å; Y146-V150 VanDerWaalsContact CZ-CG2 3.48Å; Y146-V150 WeakPolarHBondContact O-CG2 3.37Å; Y146-V150 PolarHBondContact O-N 3Å; Y146-M164 VanDerWaalsContact CA-SD 3.53Å; Y146-M164 HydrophobicContact CD2-SD 4.34Å; Y146-M164 PolarHBondContact N-SD 3.33Å; Y146-M164 VanDerWaalsContact N-SD 3.4Å; Y146-F175 AromaticContact CD1-CD1 3.51Å; Y146-F175 HydrophobicContact CD1-CD1 3.51Å; Y146-F175 AromaticContact CD1-CE1 3.71Å; Y146-F175 HydrophobicContact CD1-CE1 3.71Å; Y146-F175 HydrophobicContact CD1-CG 4.19Å; Y146-F175 HydrophobicContact CD1-CZ 4.48Å; Y146-F175 HydrophobicContact CD2-CB 3.71Å; Y146-F175 AromaticContact CD2-CD1 3.94Å; Y146-F175 HydrophobicContact CD2-CD1 3.94Å; Y146-F175 AromaticContact CD2-CG 3.83Å; Y146-F175 HydrophobicContact CD2-CG 3.83Å; Y146-F175 AromaticContact CE1-CD1 3.55Å; Y146-F175 HydrophobicContact CE1-CD1 3.55Å; Y146-F175 AromaticContact CE1-CE1 3.99Å; Y146-F175 HydrophobicContact CE1-CE1 3.99Å; Y146-F175 HydrophobicContact CE1-CG 4.4Å; Y146-F175 HydrophobicContact CE2-CB 3.68Å; Y146-F175 AromaticContact CE2-CD1 3.98Å; Y146-F175 HydrophobicContact CE2-CD1 3.98Å; Y146-F175 HydrophobicContact CE2-CG 4.08Å; Y146-F175 HydrophobicContact CG-CB 4.29Å; Y146-F175 AromaticContact CG-CD1 3.7Å; Y146-F175 HydrophobicContact CG-CD1 3.7Å; Y146-F175 HydrophobicContact CG-CD2 4.38Å; Y146-F175 HydrophobicContact CG-CE1 4.14Å; Y146-F175 AromaticContact CG-CG 3.89Å; Y146-F175 HydrophobicContact CG-CG 3.89Å; Y146-F175 AromaticContact CZ-CD1 3.79Å; Y146-L178 VanDerWaalsContact OH-CB 3.26Å; Y146-L178 WeakPolarHBondContact OH-CB 3.44Å; Y146-V182 HydrophobicContact CD2-CG1 4.46Å; Y146-V182 HydrophobicContact CE2-CG1 4.22Å; Y146-V184 HydrophobicContact CD2-CG2 3.91Å; Y146-V184 HydrophobicContact CE2-CG2 4.11Å
147A87.4Confident82.3Confident18 Ų1832.6 Ų32.615%0.14917%0.17CC..Hα-helixtrans-62.9-36.5179.100000112K143 W151K143-A147 VanDerWaalsContact O-CB 3.23Å; K143-A147 WeakPolarHBondContact O-CB 3.36Å; K143-A147 PolarHBondContact O-N 2.88Å; A147-W151 VanDerWaalsContact O-CB 3.29Å; A147-W151 WeakPolarHBondContact O-CB 3.44Å; A147-W151 PolarHBondContact O-N 2.93Å
148A89Confident82.9Confident0 Ų030.7 Ų30.70%017%0.168CC..Hα-helixtrans-64.2-46171.800000111.7T83 F115 N117 H144 S145 Y146 V150 W151 Y152T83-A148 HydrophobicContact CG2-CB 4.07Å; F115-A148 HydrophobicContact CD1-CB 3.97Å; F115-A148 HydrophobicContact CE1-CB 3.92Å; N117-A148 HydrophobicContact CB-CB 4.43Å; H144-A148 VanDerWaalsContact O-CB 3.29Å; H144-A148 WeakPolarHBondContact O-CB 2.86Å; H144-A148 PolarHBondContact O-N 2.92Å; S145-A148 PolarHBondContact O-N 2.92Å; Y146-A148 VanDerWaalsContact C-N 3.29Å; Y146-A148 PolarHBondContact O-N 3.23Å; A148-V150 PolarHBondContact O-N 3.49Å; A148-W151 WeakPolarHBondContact O-CB 3.23Å; A148-W151 PolarHBondContact O-N 3.09Å; A148-Y152 WeakPolarHBondContact O-CD2 3.47Å; A148-Y152 PolarHBondContact O-N 3.35Å
149A89.4Confident83.8Confident0 Ų030.9 Ų30.90%017%0.165CC..Hα-helixtrans-60.2-46.7177.500000112.1V59 S145 Y146 W151 Y152 Y153 L162 V182V59-A149 HydrophobicContact CB-CB 4.35Å; V59-A149 HydrophobicContact CG2-CB 3.96Å; S145-A149 PolarHBondContact O-N 2.63Å; Y146-A149 PolarHBondContact O-N 3.36Å; Y146-A149 VanDerWaalsContact O-N 3.14Å; A149-W151 VanDerWaalsContact C-N 3.31Å; A149-W151 PolarHBondContact O-N 3.25Å; A149-Y152 PolarHBondContact O-N 2.85Å; A149-Y153 PolarHBondContact O-N 3.17Å; A149-L162 HydrophobicContact CB-CB 4.27Å; A149-V182 HydrophobicContact CB-CG1 3.78Å
150V89.5Confident84.6Confident27 Ų2728.3 Ų28.316%0.16416%0.156CC..Hα-helixtrans-62-40175.4173.70000111.5Y146 A148 Y153 N154 V182Y146-V150 HydrophobicContact CD1-CG2 4.18Å; Y146-V150 HydrophobicContact CD2-CG2 4.31Å; Y146-V150 HydrophobicContact CE1-CG2 3.68Å; Y146-V150 HydrophobicContact CE2-CG2 3.82Å; Y146-V150 HydrophobicContact CG-CG2 4.47Å; Y146-V150 VanDerWaalsContact CZ-CG2 3.48Å; Y146-V150 WeakPolarHBondContact O-CG2 3.37Å; Y146-V150 PolarHBondContact O-N 3Å; A148-V150 PolarHBondContact O-N 3.49Å; V150-Y153 PolarHBondContact O-N 3.01Å; V150-N154 WeakPolarHBondContact CG1-ND2 3.42Å; V150-N154 WeakPolarHBondContact O-CB 3.18Å; V150-N154 PolarHBondContact O-N 3.27Å; V150-N154 VanDerWaalsContact O-N 3.08Å; V150-N154 PolarHBondContact O-ND2 3.49Å; V150-N154 VanDerWaalsContact O-ND2 3.13Å; V150-V182 HydrophobicContact CG2-CG2 4.15Å
151W90.2Very high85.5Confident24 Ų2431.3 Ų31.39%0.09117%0.171CC..Hα-helixtrans-61.8-47.8175.3-179.583.6000111.5C32 F115 Q120 A147 A148 A149 Y153 N154 H155C32-W151 HydrophobicContact CB-CH2 3.8Å; C32-W151 HydrophobicContact CB-CZ3 3.88Å; F115-W151 HydrophobicContact CD2-CZ3 4.24Å; F115-W151 HydrophobicContact CE1-CE3 4.15Å; F115-W151 HydrophobicContact CE1-CZ3 4.49Å; F115-W151 AromaticContact CE2-CE3 3.8Å; F115-W151 HydrophobicContact CE2-CE3 3.8Å; F115-W151 AromaticContact CE2-CH2 3.73Å; F115-W151 HydrophobicContact CE2-CH2 3.73Å; F115-W151 AromaticContact CE2-CZ3 3.34Å; F115-W151 HydrophobicContact CE2-CZ3 3.34Å; F115-W151 AromaticContact CZ-CD2 3.93Å; F115-W151 HydrophobicContact CZ-CD2 3.93Å; F115-W151 AromaticContact CZ-CE3 3.41Å; F115-W151 HydrophobicContact CZ-CE3 3.41Å; F115-W151 VanDerWaalsContact CZ-CE3 3.41Å; F115-W151 HydrophobicContact CZ-CH2 4.05Å; F115-W151 AromaticContact CZ-CZ3 3.49Å; F115-W151 HydrophobicContact CZ-CZ3 3.49Å; F115-W151 VanDerWaalsContact CZ-CZ3 3.49Å; Q120-W151 HydrophobicContact CG-CZ2 4.24Å; A147-W151 VanDerWaalsContact O-CB 3.29Å; A147-W151 WeakPolarHBondContact O-CB 3.44Å; A147-W151 PolarHBondContact O-N 2.93Å; A148-W151 WeakPolarHBondContact O-CB 3.23Å; A148-W151 PolarHBondContact O-N 3.09Å; A149-W151 VanDerWaalsContact C-N 3.31Å; A149-W151 PolarHBondContact O-N 3.25Å; W151-Y153 PolarHBondContact O-N 2.96Å; W151-N154 PolarHBondContact O-N 3.41Å; W151-H155 HydrophobicContact CD2-CB 4.28Å; W151-H155 HydrophobicContact CE3-CB 4.37Å; W151-H155 HydrophobicContact CH2-CB 4.45Å; W151-H155 AromaticContact CH2-CD2 3.98Å; W151-H155 AromaticContact CH2-CG 3.9Å; W151-H155 HydrophobicContact CZ2-CB 4.34Å; W151-H155 AromaticContact CZ2-CG 3.92Å; W151-H155 AromaticContact CZ2-ND1 3.7Å; W151-H155 HydrophobicContact CZ3-CB 4.44Å; W151-H155 WeakPolarHBondContact O-CB 3.45Å; W151-H155 PolarHBondContact O-N 2.87Å
152Y88.3Confident86.3Confident0 Ų029.1 Ų29.10%016%0.163CC..Hα-helixtrans-58.9-46.9177.3-95.7-97.2000111.9C32 Y57 V81 F115 A148 A149 N154 H155 L156 L162C32-Y152 HydrophobicContact CB-CE1 4.17Å; C32-Y152 WeakPolarHBondContact O-CE1 3.45Å; C32-Y152 PolarHBondContact O-OH 2.84Å; Y57-Y152 HydrophobicContact CD2-CD1 4.38Å; V81-Y152 HydrophobicContact CG1-CE2 3.8Å; V81-Y152 HydrophobicContact CG2-CE1 4.3Å; F115-Y152 HydrophobicContact CB-CE2 4.1Å; F115-Y152 AromaticContact CD1-CE2 3.76Å; F115-Y152 HydrophobicContact CD1-CE2 3.76Å; F115-Y152 AromaticContact CD2-CE2 3.68Å; F115-Y152 HydrophobicContact CD2-CE2 3.68Å; F115-Y152 AromaticContact CD2-CZ 4Å; F115-Y152 WeakPolarHBondContact CD2-OH 3.42Å; F115-Y152 HydrophobicContact CE1-CE2 4.05Å; F115-Y152 AromaticContact CE2-CE2 3.97Å; F115-Y152 HydrophobicContact CE2-CE2 3.97Å; F115-Y152 AromaticContact CG-CE2 3.57Å; F115-Y152 HydrophobicContact CG-CE2 3.57Å; F115-Y152 HydrophobicContact CZ-CE2 4.15Å; A148-Y152 WeakPolarHBondContact O-CD2 3.47Å; A148-Y152 PolarHBondContact O-N 3.35Å; A149-Y152 PolarHBondContact O-N 2.85Å; Y152-N154 PolarHBondContact O-N 2.76Å; Y152-H155 PolarHBondContact O-N 3.37Å; Y152-L156 HydrophobicContact CD1-CD1 4.28Å; Y152-L156 WeakPolarHBondContact O-CB 3.35Å; Y152-L156 VanDerWaalsContact O-CG 3.28Å; Y152-L156 WeakPolarHBondContact O-CG 3.3Å; Y152-L156 PolarHBondContact O-N 3.29Å; Y152-L162 HydrophobicContact CG-CD1 4.44Å
153Y88.4Confident87Confident42 Ų4229 Ų2917%0.16516%0.162CC..Hα-helixtrans-58.1-49.1179.6179.5-104.1000112A149 V150 W151 A157 G158 M160 S180 V182A149-Y153 PolarHBondContact O-N 3.17Å; V150-Y153 PolarHBondContact O-N 3.01Å; W151-Y153 PolarHBondContact O-N 2.96Å; Y153-A157 PolarHBondContact O-N 2.89Å; Y153-G158 PolarHBondContact O-N 2.98Å; Y153-M160 WeakPolarHBondContact CD2-O 3Å; Y153-S180 WeakPolarHBondContact CE1-O 3.25Å; Y153-S180 PolarHBondContact OH-O 3.14Å; Y153-V182 HydrophobicContact CD1-CG2 4.45Å; Y153-V182 HydrophobicContact CG-CG2 4.06Å
154N87.2Confident87.6Confident98 Ų9825.2 Ų25.252%0.52415%0.145SC..Hα-helixtrans-68.2-39.2178.1-68.3-33.6000112.2V150 W151 Y152 L156 A157V150-N154 WeakPolarHBondContact CG1-ND2 3.42Å; V150-N154 WeakPolarHBondContact O-CB 3.18Å; V150-N154 PolarHBondContact O-N 3.27Å; V150-N154 VanDerWaalsContact O-N 3.08Å; V150-N154 PolarHBondContact O-ND2 3.49Å; V150-N154 VanDerWaalsContact O-ND2 3.13Å; W151-N154 PolarHBondContact O-N 3.41Å; Y152-N154 PolarHBondContact O-N 2.76Å; N154-L156 VanDerWaalsContact C-N 3.32Å; N154-L156 PolarHBondContact O-N 3.46Å; N154-A157 PolarHBondContact O-N 2.94Å; N154-A157 VanDerWaalsContact O-N 3.13Å
155H86.4Confident88.1Confident38 Ų3825.3 Ų25.318%0.17615%0.146CC..Hα-helixtrans-66.2-34.2-179.3-179.377.4000112.5C32 C37 A39 C41 W151 Y152 A157C32-H155 PolarHBondContact SG-NE2 3.44Å; C37-H155 PolarHBondContact SG-NE2 3.08Å; A39-H155 VanDerWaalsContact CB-CE1 3.42Å; A39-H155 WeakPolarHBondContact CB-CE1 3.48Å; C41-H155 PolarHBondContact SG-CE1 3.45Å; C41-H155 PolarHBondContact SG-NE2 3.39Å; W151-H155 HydrophobicContact CD2-CB 4.28Å; W151-H155 HydrophobicContact CE3-CB 4.37Å; W151-H155 HydrophobicContact CH2-CB 4.45Å; W151-H155 AromaticContact CH2-CD2 3.98Å; W151-H155 AromaticContact CH2-CG 3.9Å; W151-H155 HydrophobicContact CZ2-CB 4.34Å; W151-H155 AromaticContact CZ2-CG 3.92Å; W151-H155 AromaticContact CZ2-ND1 3.7Å; W151-H155 HydrophobicContact CZ3-CB 4.44Å; W151-H155 WeakPolarHBondContact O-CB 3.45Å; W151-H155 PolarHBondContact O-N 2.87Å; Y152-H155 PolarHBondContact O-N 3.37Å; H155-A157 PolarHBondContact O-N 3.01Å
156L86Confident88.3Confident1 Ų125.4 Ų25.41%0.00515%0.146CC..THydrogen-bonded Turntrans-88.213.2175-60.6178.3000112.7L36 Y57 Y152 N154 G158 M159 M160L36-L156 HydrophobicContact CB-CD2 4.17Å; Y57-L156 HydrophobicContact CD2-CD1 4.26Å; Y57-L156 HydrophobicContact CE2-CD1 3.89Å; Y152-L156 HydrophobicContact CD1-CD1 4.28Å; Y152-L156 WeakPolarHBondContact O-CB 3.35Å; Y152-L156 VanDerWaalsContact O-CG 3.28Å; Y152-L156 WeakPolarHBondContact O-CG 3.3Å; Y152-L156 PolarHBondContact O-N 3.29Å; N154-L156 VanDerWaalsContact C-N 3.32Å; N154-L156 PolarHBondContact O-N 3.46Å; L156-G158 PolarHBondContact O-N 3.39Å; L156-G158 VanDerWaalsContact O-N 3.09Å; L156-M159 VanDerWaalsContact O-CB 3.3Å; L156-M159 WeakPolarHBondContact O-CB 3.48Å; L156-M159 WeakPolarHBondContact O-CE 3.36Å; L156-M159 VanDerWaalsContact O-CG 3.3Å; L156-M159 WeakPolarHBondContact O-CG 3.49Å; L156-M159 PolarHBondContact O-N 3.02Å; L156-M160 HydrophobicContact CD1-CB 3.86Å
157A82.8Confident88.3Confident72 Ų7226.7 Ų26.760%0.59515%0.153SC*.THydrogen-bonded Turntrans52.831.417900000114.1Y153 N154 H155 M159Y153-A157 PolarHBondContact O-N 2.89Å; N154-A157 PolarHBondContact O-N 2.94Å; N154-A157 VanDerWaalsContact O-N 3.13Å; H155-A157 PolarHBondContact O-N 3.01Å; A157-M159 VanDerWaalsContact C-N 3.27Å; A157-M159 PolarHBondContact O-N 3.45Å
158G80.9Confident88.2Confident28 Ų2827.8 Ų27.829%0.28916%0.157SC..THydrogen-bonded Turntrans72.711.2-177.900000115.5Y153 L156 M160Y153-G158 PolarHBondContact O-N 2.98Å; L156-G158 PolarHBondContact O-N 3.39Å; L156-G158 VanDerWaalsContact O-N 3.09Å; G158-M160 PolarHBondContact O-N 3.22Å
159M83.9Confident87.8Confident82 Ų8234.4 Ų34.440%0.40419%0.191SC..SBendtrans-70.9-17.2178.3-66.8-175.6-72.700114L36 Q38 L156 A157L36-M159 HydrophobicContact CB-CE 4.32Å; L36-M159 WeakPolarHBondContact O-CE 3.47Å; Q38-M159 VanDerWaalsContact CD-CE 3.49Å; Q38-M159 HydrophobicContact CG-CE 3.79Å; Q38-M159 PolarHBondContact NE2-SD 3.44Å; L156-M159 VanDerWaalsContact O-CB 3.3Å; L156-M159 WeakPolarHBondContact O-CB 3.48Å; L156-M159 WeakPolarHBondContact O-CE 3.36Å; L156-M159 VanDerWaalsContact O-CG 3.3Å; L156-M159 WeakPolarHBondContact O-CG 3.49Å; L156-M159 PolarHBondContact O-N 3.02Å; A157-M159 VanDerWaalsContact C-N 3.27Å; A157-M159 PolarHBondContact O-N 3.45Å
160M88.9Confident87.4Confident6 Ų638.6 Ų38.63%0.0321%0.214CC..SBendtrans-134.6130.8-178.6-175.35963.400109.5L36 L54 H56 Y57 Y153 L156 G158 L162L36-M160 HydrophobicContact CD1-CB 4.18Å; L36-M160 HydrophobicContact CD1-CE 3.42Å; L36-M160 VanDerWaalsContact CD1-CE 3.42Å; L54-M160 VanDerWaalsContact O-CE 3.28Å; L54-M160 WeakPolarHBondContact O-CE 3.43Å; H56-M160 VanDerWaalsContact CA-SD 3.57Å; Y57-M160 HydrophobicContact CD1-CE 4.49Å; Y57-M160 HydrophobicContact CD1-CG 3.92Å; Y57-M160 HydrophobicContact CD1-SD 4.08Å; Y57-M160 HydrophobicContact CD2-CG 3.84Å; Y57-M160 HydrophobicContact CE1-CE 4Å; Y57-M160 HydrophobicContact CE1-CG 4.11Å; Y57-M160 HydrophobicContact CE1-SD 4.19Å; Y57-M160 HydrophobicContact CE2-CG 4.05Å; Y57-M160 HydrophobicContact CG-CG 3.77Å; Y57-M160 HydrophobicContact CG-SD 4.49Å; Y153-M160 WeakPolarHBondContact CD2-O 3Å; L156-M160 HydrophobicContact CD1-CB 3.86Å; G158-M160 PolarHBondContact O-N 3.22Å; M160-L162 HydrophobicContact CG-CD2 4.49Å; M160-L162 VanDerWaalsContact O-CD2 3.23Å; M160-L162 WeakPolarHBondContact O-CD2 3.45Å
161N89.5Confident86.9Confident65 Ų6537.3 Ų37.335%0.34821%0.206SC..EExtended strand (participates in β ladder)trans-77.3143.1174-68.7-46.2000110.4H56 Y57 Y183H56-N161 CarbonylContact C-O 3.59Å; H56-N161 VanDerWaalsContact CA-O 3.25Å; H56-N161 WeakPolarHBondContact CA-O 3.29Å; H56-N161 HydrophobicContact CB-CB 4.32Å; H56-N161 WeakPolarHBondContact CB-O 3.46Å; Y57-N161 PolarHBondContact N-O 2.9Å; N161-Y183 HydrophobicContact CB-CE2 4.32Å
162L91.6Very high86.6Confident0 Ų037.5 Ų37.50%021%0.21CC..EExtended strand (participates in β ladder)trans-112.8133.2-179.9-81.7-73000109.7Y57 V59 A149 Y152 M160 G181 V182 Y183Y57-L162 CarbonylContact O-C 3.53Å; Y57-L162 WeakPolarHBondContact O-CA 3.11Å; V59-L162 HydrophobicContact CG2-CD1 3.84Å; A149-L162 HydrophobicContact CB-CB 4.27Å; Y152-L162 HydrophobicContact CG-CD1 4.44Å; M160-L162 HydrophobicContact CG-CD2 4.49Å; M160-L162 VanDerWaalsContact O-CD2 3.23Å; M160-L162 WeakPolarHBondContact O-CD2 3.45Å; L162-G181 PolarHBondContact N-O 2.98Å; L162-V182 HydrophobicContact CB-CG1 4.45Å; L162-V182 HydrophobicContact CB-CG2 4.31Å; L162-V182 CarbonylContact O-C 3.55Å; L162-V182 WeakPolarHBondContact O-CA 3.39Å; L162-Y183 PolarHBondContact O-N 3.01Å
163V92.4Very high86.3Confident1 Ų141.2 Ų41.21%0.00624%0.236CC..EExtended strand (participates in β ladder)trans-117.6110.4175.4-175.10000108.9H56 Y57 V58 V59 I165 Y183 I185 Y190 F194H56-V163 HydrophobicContact CB-CG2 4.08Å; Y57-V163 PolarHBondContact O-N 2.92Å; V58-V163 CarbonylContact C-O 3.59Å; V58-V163 VanDerWaalsContact CA-O 3.29Å; V58-V163 WeakPolarHBondContact CA-O 3.38Å; V59-V163 PolarHBondContact N-O 2.68Å; V163-I165 HydrophobicContact CG1-CG2 4.13Å; V163-Y183 CarbonylContact C-O 3.39Å; V163-Y183 WeakPolarHBondContact CA-O 3.28Å; V163-Y183 HydrophobicContact CG2-CD2 4.48Å; V163-I185 HydrophobicContact CG1-CD1 3.84Å; V163-I185 HydrophobicContact CG1-CG1 3.9Å; V163-Y190 HydrophobicContact CB-CE2 4.48Å; V163-Y190 HydrophobicContact CG1-CD2 3.78Å; V163-Y190 HydrophobicContact CG1-CE2 4.06Å; V163-F194 HydrophobicContact CG2-CE1 4.43Å; V163-F194 HydrophobicContact CG2-CE2 4.34Å; V163-F194 HydrophobicContact CG2-CZ 3.92Å
164M92.4Very high85.9Confident0 Ų046.1 Ų46.10%025%0.254CS..EExtended strand (participates in β ladder)trans-86.4125.8169176.9-177.916200109.4V59 D61 C142 Y146 T166 Y183 V184 I185V59-M164 WeakPolarHBondContact O-CA 3.27Å; D61-M164 HydrophobicContact CB-CE 4.23Å; C142-M164 HydrophobicContact CB-CE 4.23Å; C142-M164 WeakPolarHBondContact O-CE 3.25Å; Y146-M164 VanDerWaalsContact CA-SD 3.53Å; Y146-M164 HydrophobicContact CD2-SD 4.34Å; Y146-M164 PolarHBondContact N-SD 3.33Å; Y146-M164 VanDerWaalsContact N-SD 3.4Å; M164-T166 HydrophobicContact CE-CG2 4.32Å; M164-Y183 PolarHBondContact N-O 2.94Å; M164-V184 HydrophobicContact CB-CG1 4.4Å; M164-V184 HydrophobicContact CB-CG2 4.19Å; M164-V184 HydrophobicContact CG-CG1 4.32Å; M164-V184 WeakPolarHBondContact O-CA 3.49Å; M164-V184 HydrophobicContact SD-CG1 4.15Å; M164-V184 HydrophobicContact SD-CG2 4.38Å; M164-I185 PolarHBondContact O-N 3.3Å
165I92.8Very high85.8Confident2 Ų243.1 Ų43.11%0.0124%0.236CC..EExtended strand (participates in β ladder)trans-107.7132.3175.359.5177.7000110.8V58 V59 P60 D61 V64 L72 V163 I185 V187 Y190V58-I165 HydrophobicContact CG1-CD1 3.79Å; V58-I165 HydrophobicContact CG1-CG1 4.01Å; V58-I165 HydrophobicContact CG1-CG2 4.31Å; V59-I165 PolarHBondContact O-N 2.88Å; P60-I165 HydrophobicContact CB-CD1 4.04Å; P60-I165 HydrophobicContact CB-CG1 3.85Å; D61-I165 PolarHBondContact N-O 3.15Å; V64-I165 HydrophobicContact CG1-CD1 3.98Å; V64-I165 HydrophobicContact CG1-CG1 4.16Å; L72-I165 HydrophobicContact CD2-CD1 3.91Å; V163-I165 HydrophobicContact CG1-CG2 4.13Å; I165-I185 WeakPolarHBondContact CA-O 3.46Å; I165-I185 HydrophobicContact CG2-CG1 4.42Å; I165-V187 HydrophobicContact CB-CG2 4.3Å; I165-Y190 HydrophobicContact CG2-CD1 4.07Å; I165-Y190 HydrophobicContact CG2-CD2 4.07Å; I165-Y190 HydrophobicContact CG2-CG 3.67Å
166T90.1Very high85.3Confident1 Ų144 Ų441%0.00625%0.247CC..  trans-150.8150.5-175-178.10000111D61 M164 D168 A171 V172 V184 I185 G186D61-T166 WeakPolarHBondContact OD2-CA 3.45Å; D61-T166 WeakPolarHBondContact OD2-CB 3.33Å; D61-T166 PolarHBondContact OD2-OG1 2.82Å; M164-T166 HydrophobicContact CE-CG2 4.32Å; T166-D168 WeakPolarHBondContact OG1-CB 3.48Å; T166-D168 PolarHBondContact OG1-N 3.15Å; T166-D168 VanDerWaalsContact OG1-N 3.09Å; T166-A171 HydrophobicContact CG2-CB 4.36Å; T166-V172 HydrophobicContact CG2-CG2 3.63Å; T166-V184 HydrophobicContact CG2-CG1 3.98Å; T166-I185 PolarHBondContact N-O 2.96Å; T166-G186 WeakPolarHBondContact O-CA 3.36Å
167E87.2Confident84.8Confident55 Ų5548.9 Ų48.926%0.25728%0.281SS..SBendtrans-93.2-4168.4-69.5-61.4124.800112.7V64 Y68 L169 V187 Y205V64-E167 HydrophobicContact CG2-CG 4.34Å; Y68-E167 HydrophobicContact CE2-CG 3.59Å; E167-L169 PolarHBondContact O-N 3.47Å; E167-V187 VanDerWaalsContact OE1-CB 3.3Å; E167-V187 WeakPolarHBondContact OE1-CB 3.42Å; E167-V187 VanDerWaalsContact OE1-CG2 3.25Å; E167-V187 WeakPolarHBondContact OE1-CG2 3.41Å; E167-Y205 PolarHBondContact OE1-OH 3.37Å; E167-Y205 PolarHBondContact OE2-OH 3.27Å
168D84.6Confident84.5Confident42 Ų4250.6 Ų50.623%0.22528%0.28CS..  trans-8199.3179-177.94.9000110.5C142 T166 D170 A171 V172C142-D168 PolarHBondContact SG-OD2 3.1Å; T166-D168 WeakPolarHBondContact OG1-CB 3.48Å; T166-D168 PolarHBondContact OG1-N 3.15Å; T166-D168 VanDerWaalsContact OG1-N 3.09Å; D168-D170 PolarHBondContact O-N 3.46Å; D168-D170 WeakPolarHBondContact OD1-CB 3.46Å; D168-D170 PolarHBondContact OD1-N 2.88Å; D168-A171 HydrophobicContact CB-CB 3.87Å; D168-A171 WeakPolarHBondContact O-CA 3.48Å; D168-A171 WeakPolarHBondContact O-CB 3.3Å; D168-A171 PolarHBondContact O-N 3.36Å; D168-A171 PolarHBondContact OD1-N 2.85Å; D168-V172 PolarHBondContact O-N 3.48Å; D168-V172 VanDerWaalsContact O-N 3.08Å
169L80.7Confident84.3Confident138 Ų13851.2 Ų51.272%0.72328%0.276SS*.Hα-helixtrans-60-29.6178.5-62.2177.8000112.8E167 A171 V172 S173E167-L169 PolarHBondContact O-N 3.47Å; L169-A171 VanDerWaalsContact C-N 3.33Å; L169-V172 PolarHBondContact O-N 3.19Å; L169-S173 PolarHBondContact O-N 3.48Å; L169-S173 VanDerWaalsContact O-N 3.08Å; L169-S173 PolarHBondContact O-OG 3.02Å
170D81.5Confident83.5Confident88 Ų8852 Ų5247%0.47129%0.29SS..Hα-helixtrans-68.1-36.1174.2-86.35.7000110.8D168 S173 R174D168-D170 PolarHBondContact O-N 3.46Å; D168-D170 WeakPolarHBondContact OD1-CB 3.46Å; D168-D170 PolarHBondContact OD1-N 2.88Å; D170-S173 PolarHBondContact O-OG 3.13Å; D170-R174 WeakPolarHBondContact O-CB 3.46Å; D170-R174 WeakPolarHBondContact O-CD 3.24Å; D170-R174 WeakPolarHBondContact O-CG 3.46Å; D170-R174 PolarHBondContact O-N 2.76Å; D170-R174 IonicContact OD2-CZ 2.95Å; D170-R174 IonicContact OD2-NH2 2.7Å; D170-R174 PolarHBondContact OD2-NH2 2.91Å
171A79.7Confident82.9Confident1 Ų152 Ų521%0.00829%0.292CS..Hα-helixtrans-68.2-43.2175.300000111.3C142 T166 D168 L169 S173 R174 F175C142-A171 HydrophobicContact CB-CB 3.95Å; T166-A171 HydrophobicContact CG2-CB 4.36Å; D168-A171 HydrophobicContact CB-CB 3.87Å; D168-A171 WeakPolarHBondContact O-CA 3.48Å; D168-A171 WeakPolarHBondContact O-CB 3.3Å; D168-A171 PolarHBondContact O-N 3.36Å; D168-A171 PolarHBondContact OD1-N 2.85Å; L169-A171 VanDerWaalsContact C-N 3.33Å; A171-S173 PolarHBondContact O-N 3.23Å; A171-R174 PolarHBondContact O-N 3.42Å; A171-F175 HydrophobicContact CB-CD2 4.02Å; A171-F175 HydrophobicContact CB-CE2 4.17Å; A171-F175 WeakPolarHBondContact O-CB 3.48Å; A171-F175 WeakPolarHBondContact O-CD2 3.25Å; A171-F175 PolarHBondContact O-N 2.94Å
172V83Confident82.8Confident27 Ų2749 Ų4916%0.16428%0.276CS..Hα-helixtrans-57.1-50.1176.61770000110.8T166 D168 L169 R174 S176 V184T166-V172 HydrophobicContact CG2-CG2 3.63Å; D168-V172 PolarHBondContact O-N 3.48Å; D168-V172 VanDerWaalsContact O-N 3.08Å; L169-V172 PolarHBondContact O-N 3.19Å; V172-R174 VanDerWaalsContact C-N 3.31Å; V172-R174 PolarHBondContact O-N 3.33Å; V172-S176 WeakPolarHBondContact O-CB 3.46Å; V172-S176 PolarHBondContact O-N 2.71Å; V172-S176 VanDerWaalsContact O-N 3.08Å; V172-S176 PolarHBondContact O-OG 3.49Å; V172-V184 HydrophobicContact CG2-CG1 4.47Å
173S81.6Confident82.7Confident78 Ų7854.6 Ų54.655%0.54530%0.298SS..Hα-helixtrans-64.6-32.8-179.663.20000113.5L169 D170 A171L169-S173 PolarHBondContact O-N 3.48Å; L169-S173 VanDerWaalsContact O-N 3.08Å; L169-S173 PolarHBondContact O-OG 3.02Å; D170-S173 PolarHBondContact O-OG 3.13Å; A171-S173 PolarHBondContact O-N 3.23Å
174R81.4Confident82.5Confident145 Ų14554.6 Ų54.655%0.54730%0.298SS..Hα-helixtrans-79.2-38.3-179.1-72.8171.6-167.6158.313.9113.5D170 A171 V172 L178D170-R174 WeakPolarHBondContact O-CB 3.46Å; D170-R174 WeakPolarHBondContact O-CD 3.24Å; D170-R174 WeakPolarHBondContact O-CG 3.46Å; D170-R174 PolarHBondContact O-N 2.76Å; D170-R174 IonicContact OD2-CZ 2.95Å; D170-R174 IonicContact OD2-NH2 2.7Å; D170-R174 PolarHBondContact OD2-NH2 2.91Å; A171-R174 PolarHBondContact O-N 3.42Å; V172-R174 VanDerWaalsContact C-N 3.31Å; V172-R174 PolarHBondContact O-N 3.33Å; R174-L178 WeakPolarHBondContact O-CD1 3.44Å; R174-L178 WeakPolarHBondContact O-CG 3.39Å
175F83.5Confident82.5Confident35 Ų3555.7 Ų55.715%0.15430%0.303CS..Hα-helixtrans-103.6-21.5-167.7-62.8-62000114.7Y146 A171 S177 L178 V184Y146-F175 AromaticContact CD1-CD1 3.51Å; Y146-F175 HydrophobicContact CD1-CD1 3.51Å; Y146-F175 AromaticContact CD1-CE1 3.71Å; Y146-F175 HydrophobicContact CD1-CE1 3.71Å; Y146-F175 HydrophobicContact CD1-CG 4.19Å; Y146-F175 HydrophobicContact CD1-CZ 4.48Å; Y146-F175 HydrophobicContact CD2-CB 3.71Å; Y146-F175 AromaticContact CD2-CD1 3.94Å; Y146-F175 HydrophobicContact CD2-CD1 3.94Å; Y146-F175 AromaticContact CD2-CG 3.83Å; Y146-F175 HydrophobicContact CD2-CG 3.83Å; Y146-F175 AromaticContact CE1-CD1 3.55Å; Y146-F175 HydrophobicContact CE1-CD1 3.55Å; Y146-F175 AromaticContact CE1-CE1 3.99Å; Y146-F175 HydrophobicContact CE1-CE1 3.99Å; Y146-F175 HydrophobicContact CE1-CG 4.4Å; Y146-F175 HydrophobicContact CE2-CB 3.68Å; Y146-F175 AromaticContact CE2-CD1 3.98Å; Y146-F175 HydrophobicContact CE2-CD1 3.98Å; Y146-F175 HydrophobicContact CE2-CG 4.08Å; Y146-F175 HydrophobicContact CG-CB 4.29Å; Y146-F175 AromaticContact CG-CD1 3.7Å; Y146-F175 HydrophobicContact CG-CD1 3.7Å; Y146-F175 HydrophobicContact CG-CD2 4.38Å; Y146-F175 HydrophobicContact CG-CE1 4.14Å; Y146-F175 AromaticContact CG-CG 3.89Å; Y146-F175 HydrophobicContact CG-CG 3.89Å; Y146-F175 AromaticContact CZ-CD1 3.79Å; A171-F175 HydrophobicContact CB-CD2 4.02Å; A171-F175 HydrophobicContact CB-CE2 4.17Å; A171-F175 WeakPolarHBondContact O-CB 3.48Å; A171-F175 WeakPolarHBondContact O-CD2 3.25Å; A171-F175 PolarHBondContact O-N 2.94Å; F175-S177 PolarHBondContact O-N 2.83Å; F175-S177 VanDerWaalsContact O-N 3.1Å; F175-L178 HydrophobicContact CD1-CD1 3.76Å; F175-L178 HydrophobicContact CE1-CD1 4.4Å; F175-L178 PolarHBondContact O-N 2.77Å; F175-V184 HydrophobicContact CB-CB 4.28Å; F175-V184 HydrophobicContact CB-CG1 4.4Å; F175-V184 HydrophobicContact CB-CG2 3.72Å
176S77.4Confident82.3Confident57 Ų5756.3 Ų56.340%0.39931%0.311SS..THydrogen-bonded Turntrans-56.5-28.7-175.4510000115.2V172V172-S176 WeakPolarHBondContact O-CB 3.46Å; V172-S176 PolarHBondContact O-N 2.71Å; V172-S176 VanDerWaalsContact O-N 3.08Å; V172-S176 PolarHBondContact O-OG 3.49Å
177S74Confident82.2Confident104 Ų10456.4 Ų56.473%0.72731%0.311SS*.THydrogen-bonded Turntrans-108.16.7-176.368.30000114.9F175F175-S177 PolarHBondContact O-N 2.83Å; F175-S177 VanDerWaalsContact O-N 3.1Å
178L77.7Confident82.3Confident108 Ų10857.5 Ų57.557%0.56532%0.316SS*.SBendtrans-89.6-22.4-169.3-76.8176.9000114.8Y146 R174 F175Y146-L178 VanDerWaalsContact OH-CB 3.26Å; Y146-L178 WeakPolarHBondContact OH-CB 3.44Å; R174-L178 WeakPolarHBondContact O-CD1 3.44Å; R174-L178 WeakPolarHBondContact O-CG 3.39Å; F175-L178 HydrophobicContact CD1-CD1 3.76Å; F175-L178 HydrophobicContact CE1-CD1 4.4Å; F175-L178 PolarHBondContact O-N 2.77Å
179N75.5Confident82.5Confident40 Ų4060.1 Ų60.121%0.21433%0.327CS..SBendtrans-143.6127.2-177.1-162.5-60000111.4G181 V182N179-G181 PolarHBondContact O-N 2.87Å; N179-V182 HydrophobicContact CB-CB 4.28Å; N179-V182 HydrophobicContact CB-CG2 4.36Å; N179-V182 PolarHBondContact O-N 3.39Å
180S68.4Low83Confident99 Ų9953.8 Ų53.869%0.69229%0.294SS*.THydrogen-bonded Turntrans-70.9110.317354.40000109.6Y153Y153-S180 WeakPolarHBondContact CE1-O 3.25Å; Y153-S180 PolarHBondContact OH-O 3.14Å
181G76.6Confident83.3Confident7 Ų749.7 Ų49.77%0.07227%0.272CS..THydrogen-bonded Turntrans110.3-5.5179.300000115.7L162 N179L162-G181 PolarHBondContact N-O 2.98Å; N179-G181 PolarHBondContact O-N 2.87Å
182V87.3Confident83.8Confident1 Ų154.3 Ų54.31%0.00629%0.293CS..EExtended strand (participates in β ladder)trans-113.9110.5168.6-1760000109.2Y146 A149 V150 Y153 L162 N179Y146-V182 HydrophobicContact CD2-CG1 4.46Å; Y146-V182 HydrophobicContact CE2-CG1 4.22Å; A149-V182 HydrophobicContact CB-CG1 3.78Å; V150-V182 HydrophobicContact CG2-CG2 4.15Å; Y153-V182 HydrophobicContact CD1-CG2 4.45Å; Y153-V182 HydrophobicContact CG-CG2 4.06Å; L162-V182 HydrophobicContact CB-CG1 4.45Å; L162-V182 HydrophobicContact CB-CG2 4.31Å; L162-V182 CarbonylContact O-C 3.55Å; L162-V182 WeakPolarHBondContact O-CA 3.39Å; N179-V182 HydrophobicContact CB-CB 4.28Å; N179-V182 HydrophobicContact CB-CG2 4.36Å; N179-V182 PolarHBondContact O-N 3.39Å
183Y88.8Confident83.9Confident117 Ų11756.6 Ų56.646%0.45931%0.31SS..EExtended strand (participates in β ladder)trans-95.2133.9178.9-58.5-83.6000109.8N161 L162 V163 M164N161-Y183 HydrophobicContact CB-CE2 4.32Å; L162-Y183 PolarHBondContact O-N 3.01Å; V163-Y183 CarbonylContact C-O 3.39Å; V163-Y183 WeakPolarHBondContact CA-O 3.28Å; V163-Y183 HydrophobicContact CG2-CD2 4.48Å; M164-Y183 PolarHBondContact N-O 2.94Å
184V89Confident84Confident2 Ų256.7 Ų56.71%0.01230%0.301CS..EExtended strand (participates in β ladder)trans-120.4113.5176.2-171.90000108.1Y146 M164 T166 V172 F175Y146-V184 HydrophobicContact CD2-CG2 3.91Å; Y146-V184 HydrophobicContact CE2-CG2 4.11Å; M164-V184 HydrophobicContact CB-CG1 4.4Å; M164-V184 HydrophobicContact CB-CG2 4.19Å; M164-V184 HydrophobicContact CG-CG1 4.32Å; M164-V184 WeakPolarHBondContact O-CA 3.49Å; M164-V184 HydrophobicContact SD-CG1 4.15Å; M164-V184 HydrophobicContact SD-CG2 4.38Å; T166-V184 HydrophobicContact CG2-CG1 3.98Å; V172-V184 HydrophobicContact CG2-CG1 4.47Å; F175-V184 HydrophobicContact CB-CB 4.28Å; F175-V184 HydrophobicContact CB-CG1 4.4Å; F175-V184 HydrophobicContact CB-CG2 3.72Å
185I91.2Very high84.3Confident22 Ų2253.2 Ų53.211%0.11329%0.288CS..EExtended strand (participates in β ladder)trans-141.4164-172.558.6178.4000111.6V163 M164 I165 T166 E189 Y190 F194V163-I185 HydrophobicContact CG1-CD1 3.84Å; V163-I185 HydrophobicContact CG1-CG1 3.9Å; M164-I185 PolarHBondContact O-N 3.3Å; I165-I185 WeakPolarHBondContact CA-O 3.46Å; I165-I185 HydrophobicContact CG2-CG1 4.42Å; T166-I185 PolarHBondContact N-O 2.96Å; I185-E189 HydrophobicContact CB-CB 4.49Å; I185-E189 HydrophobicContact CB-CG 4.42Å; I185-Y190 HydrophobicContact CD1-CD2 4.02Å; I185-Y190 HydrophobicContact CD1-CG 4.39Å; I185-F194 HydrophobicContact CD1-CD2 4.36Å; I185-F194 HydrophobicContact CD1-CE2 3.85Å
186G90.1Very high84.3Confident16 Ų1655.5 Ų55.517%0.16531%0.306CS..  trans-68.7155.3173.300000112.5T166 Q188 E189 Y190T166-G186 WeakPolarHBondContact O-CA 3.36Å; G186-Q188 VanDerWaalsContact C-N 3.27Å; G186-Q188 PolarHBondContact O-N 2.93Å; G186-E189 PolarHBondContact O-N 3.3Å; G186-Y190 WeakPolarHBondContact O-CB 3.32Å; G186-Y190 PolarHBondContact O-N 3.44Å
187V88.2Confident84.6Confident3 Ų357.5 Ų57.52%0.01833%0.326CS..Hα-helixtrans-61.1-39.9176.2-1790000110.8V64 Y68 I165 E167 Y190 L191 Y205V64-V187 HydrophobicContact CB-CG2 4.34Å; V64-V187 HydrophobicContact CG1-CG2 3.75Å; V64-V187 HydrophobicContact CG2-CG2 3.54Å; Y68-V187 HydrophobicContact CD2-CG2 4.47Å; I165-V187 HydrophobicContact CB-CG2 4.3Å; E167-V187 VanDerWaalsContact OE1-CB 3.3Å; E167-V187 WeakPolarHBondContact OE1-CB 3.42Å; E167-V187 VanDerWaalsContact OE1-CG2 3.25Å; E167-V187 WeakPolarHBondContact OE1-CG2 3.41Å; V187-Y190 WeakPolarHBondContact O-CB 3.39Å; V187-Y190 PolarHBondContact O-N 3.3Å; V187-L191 HydrophobicContact CG1-CD1 4.3Å; V187-L191 WeakPolarHBondContact O-CG 3.44Å; V187-L191 PolarHBondContact O-N 3.01Å; V187-Y205 HydrophobicContact CB-CD2 4.08Å; V187-Y205 HydrophobicContact CB-CE2 3.59Å; V187-Y205 HydrophobicContact CG1-CD2 3.54Å; V187-Y205 HydrophobicContact CG1-CE2 3.62Å; V187-Y205 HydrophobicContact CG1-CG 4.41Å
188Q89.1Confident85.1Confident78 Ų7853.8 Ų53.836%0.36430%0.298SS..Hα-helixtrans-60.1-47.7176.4-168.5169.9-8.500112.6G186 Y190 L191 Q192 Y205G186-Q188 VanDerWaalsContact C-N 3.27Å; G186-Q188 PolarHBondContact O-N 2.93Å; Q188-Y190 VanDerWaalsContact C-N 3.32Å; Q188-L191 PolarHBondContact O-N 3.18Å; Q188-Q192 WeakPolarHBondContact O-CG 3.46Å; Q188-Q192 PolarHBondContact O-N 2.8Å; Q188-Y205 HydrophobicContact CB-CD1 4.34Å; Q188-Y205 HydrophobicContact CB-CE1 3.47Å; Q188-Y205 VanDerWaalsContact CB-CE1 3.47Å; Q188-Y205 HydrophobicContact CG-CD1 4.45Å; Q188-Y205 HydrophobicContact CG-CE1 3.81Å
189E88.8Confident85.2Confident97 Ų9753.4 Ų53.445%0.45329%0.293SS..Hα-helixtrans-66.4-37.7-179.1-176.4176.4-16500111I185 G186 Q192 S193I185-E189 HydrophobicContact CB-CB 4.49Å; I185-E189 HydrophobicContact CB-CG 4.42Å; G186-E189 PolarHBondContact O-N 3.3Å; E189-Q192 PolarHBondContact O-N 3.37Å; E189-S193 VanDerWaalsContact O-CB 3.23Å; E189-S193 WeakPolarHBondContact O-CB 3.29Å; E189-S193 PolarHBondContact O-N 3.12Å; E189-S193 PolarHBondContact O-OG 2.97Å
190Y90Very high85.4Confident4 Ų455.2 Ų55.22%0.01631%0.306CS..Hα-helixtrans-59.4-51.2173.9175.5-109.8000112.1H56 V58 L77 V163 I165 I185 G186 V187 Q188 Q192 S193 F194 W195H56-Y190 AromaticContact NE2-CE2 3.31Å; H56-Y190 VanDerWaalsContact NE2-CE2 3.31Å; H56-Y190 WeakPolarHBondContact NE2-CE2 3.5Å; H56-Y190 AromaticContact NE2-CZ 3.53Å; H56-Y190 PolarHBondContact NE2-OH 3.33Å; V58-Y190 HydrophobicContact CG2-CE1 4.49Å; V58-Y190 HydrophobicContact CG2-CE2 4.08Å; V58-Y190 WeakPolarHBondContact CG2-OH 3.39Å; L77-Y190 HydrophobicContact CD2-CE1 4.16Å; V163-Y190 HydrophobicContact CB-CE2 4.48Å; V163-Y190 HydrophobicContact CG1-CD2 3.78Å; V163-Y190 HydrophobicContact CG1-CE2 4.06Å; I165-Y190 HydrophobicContact CG2-CD1 4.07Å; I165-Y190 HydrophobicContact CG2-CD2 4.07Å; I165-Y190 HydrophobicContact CG2-CG 3.67Å; I185-Y190 HydrophobicContact CD1-CD2 4.02Å; I185-Y190 HydrophobicContact CD1-CG 4.39Å; G186-Y190 WeakPolarHBondContact O-CB 3.32Å; G186-Y190 PolarHBondContact O-N 3.44Å; V187-Y190 WeakPolarHBondContact O-CB 3.39Å; V187-Y190 PolarHBondContact O-N 3.3Å; Q188-Y190 VanDerWaalsContact C-N 3.32Å; Y190-Q192 VanDerWaalsContact C-N 3.32Å; Y190-Q192 PolarHBondContact O-N 2.99Å; Y190-S193 PolarHBondContact O-N 3.48Å; Y190-F194 HydrophobicContact CD2-CB 4.29Å; Y190-F194 AromaticContact CD2-CD2 3.39Å; Y190-F194 HydrophobicContact CD2-CD2 3.39Å; Y190-F194 AromaticContact CD2-CE2 3.96Å; Y190-F194 HydrophobicContact CD2-CE2 3.96Å; Y190-F194 HydrophobicContact CD2-CG 4.03Å; Y190-F194 HydrophobicContact CE2-CB 3.95Å; Y190-F194 AromaticContact CE2-CD2 3.63Å; Y190-F194 HydrophobicContact CE2-CD2 3.63Å; Y190-F194 HydrophobicContact CE2-CE2 4.27Å; Y190-F194 AromaticContact CE2-CG 3.8Å; Y190-F194 HydrophobicContact CE2-CG 3.8Å; Y190-F194 HydrophobicContact CG-CD2 4.41Å; Y190-F194 PolarHBondContact O-N 3.22Å; Y190-W195 AromaticContact CE1-CD1 3.79Å; Y190-W195 AromaticContact CE1-NE1 3.78Å; Y190-W195 AromaticContact CZ-CD1 3.82Å; Y190-W195 AromaticContact CZ-NE1 3.44Å; Y190-W195 PolarHBondContact OH-NE1 2.94Å
191L89Confident86.1Confident3 Ų350.5 Ų50.52%0.01627%0.273CS..Hα-helixtrans-62.9-39.1179.1-67.4176.5000111.8V71 V187 Q188 W195 A201 Q202 Y205V71-L191 HydrophobicContact CG1-CD1 4.2Å; V71-L191 HydrophobicContact CG1-CD2 4.27Å; V187-L191 HydrophobicContact CG1-CD1 4.3Å; V187-L191 WeakPolarHBondContact O-CG 3.44Å; V187-L191 PolarHBondContact O-N 3.01Å; Q188-L191 PolarHBondContact O-N 3.18Å; L191-W195 CarbonylContact O-C 3.57Å; L191-W195 VanDerWaalsContact O-CA 3.25Å; L191-W195 WeakPolarHBondContact O-CA 3.33Å; L191-W195 WeakPolarHBondContact O-CB 3.39Å; L191-W195 PolarHBondContact O-N 2.69Å; L191-W195 VanDerWaalsContact O-N 3.08Å; L191-W195 VanDerWaalsContact O-O 3.05Å; L191-A201 HydrophobicContact CD1-CB 4.35Å; L191-A201 HydrophobicContact CD2-CB 3.9Å; L191-Q202 HydrophobicContact CB-CG 4.27Å; L191-Y205 HydrophobicContact CD1-CG 4.04Å
192Q88.4Confident86.5Confident98 Ų9852.2 Ų52.246%0.45828%0.28SS..Hα-helixtrans-71.8-35.3179.1-71.6177-17.200113.1Q188 E189 Y190 P196Q188-Q192 WeakPolarHBondContact O-CG 3.46Å; Q188-Q192 PolarHBondContact O-N 2.8Å; E189-Q192 PolarHBondContact O-N 3.37Å; Y190-Q192 VanDerWaalsContact C-N 3.32Å; Y190-Q192 PolarHBondContact O-N 2.99Å; Q192-P196 WeakPolarHBondContact O-CB 3.25Å
193S85.8Confident86.2Confident75 Ų7556 Ų5652%0.52430%0.3SS..Hα-helixtrans-85-45.1-174.3-55.20000112.7E189 Y190E189-S193 VanDerWaalsContact O-CB 3.23Å; E189-S193 WeakPolarHBondContact O-CB 3.29Å; E189-S193 PolarHBondContact O-N 3.12Å; E189-S193 PolarHBondContact O-OG 2.97Å; Y190-S193 PolarHBondContact O-N 3.48Å
194F85Confident85.9Confident79 Ų7950.7 Ų50.735%0.34628%0.279SS..Hα-helixtrans-95.1-25.4-175.5-67.8-90.4000112.7H56 V163 I185 Y190 P196H56-F194 AromaticContact CE1-CD1 3.46Å; H56-F194 VanDerWaalsContact CE1-CD1 3.46Å; H56-F194 WeakPolarHBondContact CE1-CD1 3.42Å; H56-F194 AromaticContact ND1-CD1 3.76Å; H56-F194 AromaticContact ND1-CE1 3.93Å; H56-F194 AromaticContact NE2-CD1 4Å; V163-F194 HydrophobicContact CG2-CE1 4.43Å; V163-F194 HydrophobicContact CG2-CE2 4.34Å; V163-F194 HydrophobicContact CG2-CZ 3.92Å; I185-F194 HydrophobicContact CD1-CD2 4.36Å; I185-F194 HydrophobicContact CD1-CE2 3.85Å; Y190-F194 HydrophobicContact CD2-CB 4.29Å; Y190-F194 AromaticContact CD2-CD2 3.39Å; Y190-F194 HydrophobicContact CD2-CD2 3.39Å; Y190-F194 AromaticContact CD2-CE2 3.96Å; Y190-F194 HydrophobicContact CD2-CE2 3.96Å; Y190-F194 HydrophobicContact CD2-CG 4.03Å; Y190-F194 HydrophobicContact CE2-CB 3.95Å; Y190-F194 AromaticContact CE2-CD2 3.63Å; Y190-F194 HydrophobicContact CE2-CD2 3.63Å; Y190-F194 HydrophobicContact CE2-CE2 4.27Å; Y190-F194 AromaticContact CE2-CG 3.8Å; Y190-F194 HydrophobicContact CE2-CG 3.8Å; Y190-F194 HydrophobicContact CG-CD2 4.41Å; Y190-F194 PolarHBondContact O-N 3.22Å; F194-P196 VanDerWaalsContact C-CD 3.44Å
195W86.2Confident85.8Confident72 Ų7251.1 Ų51.127%0.27328%0.281SS..  trans-133.448.4-174.1-55102.5000113.5E76 L77 Y190 L191 A197 L198E76-W195 VanDerWaalsContact O-CH2 3.29Å; E76-W195 WeakPolarHBondContact O-CH2 3.31Å; L77-W195 HydrophobicContact CD2-CD2 4.14Å; L77-W195 HydrophobicContact CD2-CG 4.08Å; L77-W195 HydrophobicContact CD2-CZ2 4.29Å; L77-W195 VanDerWaalsContact CD2-NE1 3.34Å; Y190-W195 AromaticContact CE1-CD1 3.79Å; Y190-W195 AromaticContact CE1-NE1 3.78Å; Y190-W195 AromaticContact CZ-CD1 3.82Å; Y190-W195 AromaticContact CZ-NE1 3.44Å; Y190-W195 PolarHBondContact OH-NE1 2.94Å; L191-W195 CarbonylContact O-C 3.57Å; L191-W195 VanDerWaalsContact O-CA 3.25Å; L191-W195 WeakPolarHBondContact O-CA 3.33Å; L191-W195 WeakPolarHBondContact O-CB 3.39Å; L191-W195 PolarHBondContact O-N 2.69Å; L191-W195 VanDerWaalsContact O-N 3.08Å; L191-W195 VanDerWaalsContact O-O 3.05Å; W195-A197 PolarHBondContact O-N 2.74Å; W195-A197 VanDerWaalsContact O-N 3.15Å; W195-L198 HydrophobicContact CB-CB 3.97Å; W195-L198 HydrophobicContact CB-CD2 4.43Å; W195-L198 PolarHBondContact O-N 2.82Å
196P83.2Confident85.4Confident83 Ų8351.5 Ų51.554%0.53929%0.29SS..THydrogen-bonded Turntrans-60.9-29.5-17624-33.7000113.1Q192 F194 L198 Q202Q192-P196 WeakPolarHBondContact O-CB 3.25Å; F194-P196 VanDerWaalsContact C-CD 3.44Å; P196-L198 VanDerWaalsContact C-N 3.35Å; P196-Q202 PolarHBondContact O-NE2 2.87Å
197A83.6Confident85Confident99 Ų9951.2 Ų51.282%0.81829%0.285SS*.THydrogen-bonded Turntrans-79.5-13178.500000113.9W195 Q199W195-A197 PolarHBondContact O-N 2.74Å; W195-A197 VanDerWaalsContact O-N 3.15Å; A197-Q199 VanDerWaalsContact C-N 3.33Å; A197-Q199 PolarHBondContact O-N 3.04Å
198L84.7Confident84.7Confident26 Ų2651.4 Ų51.414%0.13629%0.286CS..  trans-8869.1-176.2-166.963.4000111L74 E76 W195 P196 T200 A201 Q202L74-L198 HydrophobicContact CD1-CD2 4.29Å; E76-L198 HydrophobicContact CB-CD1 4.25Å; E76-L198 HydrophobicContact CB-CD2 3.95Å; E76-L198 HydrophobicContact CG-CD1 3.92Å; W195-L198 HydrophobicContact CB-CB 3.97Å; W195-L198 HydrophobicContact CB-CD2 4.43Å; W195-L198 PolarHBondContact O-N 2.82Å; P196-L198 VanDerWaalsContact C-N 3.35Å; L198-T200 PolarHBondContact O-N 2.64Å; L198-A201 HydrophobicContact CB-CB 4.37Å; L198-A201 HydrophobicContact CD2-CB 3.63Å; L198-A201 HydrophobicContact CG-CB 3.72Å; L198-A201 PolarHBondContact O-N 3.49Å; L198-A201 VanDerWaalsContact O-N 3.09Å; L198-Q202 PolarHBondContact O-N 2.88Å
199Q81.5Confident84.5Confident100 Ų10052 Ų5247%0.46729%0.285SS..Hα-helixtrans-57-37.8-175.1-169.161.140.200112.7A197 A201 Q202 D203A197-Q199 VanDerWaalsContact C-N 3.33Å; A197-Q199 PolarHBondContact O-N 3.04Å; Q199-A201 VanDerWaalsContact C-N 3.28Å; Q199-A201 PolarHBondContact O-N 3.14Å; Q199-Q202 PolarHBondContact O-N 3.47Å; Q199-Q202 VanDerWaalsContact O-N 3.11Å; Q199-D203 PolarHBondContact NE2-OD1 3.21Å; Q199-D203 VanDerWaalsContact O-CG 3.31Å; Q199-D203 PolarHBondContact O-N 2.87Å
200T78.6Confident83.9Confident79 Ų7948.8 Ų48.849%0.48527%0.27SS..Hα-helixtrans-57.6-38.9178.1-51.50000112.8L198 L204L198-T200 PolarHBondContact O-N 2.64Å; T200-L204 VanDerWaalsContact O-CB 3.25Å; T200-L204 WeakPolarHBondContact O-CB 3.31Å; T200-L204 PolarHBondContact O-N 3.14Å; T200-L204 VanDerWaalsContact O-N 3.08Å
201A83.3Confident83.2Confident0 Ų049.6 Ų49.60%028%0.278CS..Hα-helixtrans-68.9-40177.700000111.8L74 L191 L198 Q199 Y205L74-A201 HydrophobicContact CD1-CB 3.45Å; L74-A201 VanDerWaalsContact CD1-CB 3.45Å; L191-A201 HydrophobicContact CD1-CB 4.35Å; L191-A201 HydrophobicContact CD2-CB 3.9Å; L198-A201 HydrophobicContact CB-CB 4.37Å; L198-A201 HydrophobicContact CD2-CB 3.63Å; L198-A201 HydrophobicContact CG-CB 3.72Å; L198-A201 PolarHBondContact O-N 3.49Å; L198-A201 VanDerWaalsContact O-N 3.09Å; Q199-A201 VanDerWaalsContact C-N 3.28Å; Q199-A201 PolarHBondContact O-N 3.14Å; A201-Y205 VanDerWaalsContact O-CB 3.29Å; A201-Y205 WeakPolarHBondContact O-CB 3.34Å; A201-Y205 PolarHBondContact O-N 3.24Å
202Q84.6Confident82.6Confident43 Ų4351.8 Ų51.820%0.20129%0.29CS..Hα-helixtrans-67.1-44.3179.6-62.8-178.539.200111.5L191 P196 L198 Q199 Y205 G206L191-Q202 HydrophobicContact CB-CG 4.27Å; P196-Q202 PolarHBondContact O-NE2 2.87Å; L198-Q202 PolarHBondContact O-N 2.88Å; Q199-Q202 PolarHBondContact O-N 3.47Å; Q199-Q202 VanDerWaalsContact O-N 3.11Å; Q202-Y205 PolarHBondContact O-N 3.29Å; Q202-G206 PolarHBondContact O-N 3.32Å
203D80.6Confident81.9Confident80 Ų8052.2 Ų52.243%0.42829%0.292SS..Hα-helixtrans-63.4-44.7177.5-66.2-15.8000111Q199 G206 S207Q199-D203 PolarHBondContact NE2-OD1 3.21Å; Q199-D203 VanDerWaalsContact O-CG 3.31Å; Q199-D203 PolarHBondContact O-N 2.87Å; D203-G206 PolarHBondContact O-N 2.94Å; D203-S207 WeakPolarHBondContact O-CB 3.43Å; D203-S207 PolarHBondContact O-N 3.45Å
204L84Confident80.9Confident6 Ų650.5 Ų50.53%0.03128%0.275CS..Hα-helixtrans-62.3-49177.1179.462.6000111.5E70 V71 T200 G206 S207 V208 V409E70-L204 HydrophobicContact CB-CD2 4.08Å; V71-L204 HydrophobicContact CG2-CD2 3.99Å; V71-L204 HydrophobicContact CG2-CG 4.02Å; T200-L204 VanDerWaalsContact O-CB 3.25Å; T200-L204 WeakPolarHBondContact O-CB 3.31Å; T200-L204 PolarHBondContact O-N 3.14Å; T200-L204 VanDerWaalsContact O-N 3.08Å; L204-G206 VanDerWaalsContact C-N 3.33Å; L204-G206 PolarHBondContact O-N 2.72Å; L204-S207 PolarHBondContact O-N 2.98Å; L204-V208 HydrophobicContact CD1-CG2 4.26Å; L204-V208 WeakPolarHBondContact O-CG2 3.4Å; L204-V208 PolarHBondContact O-N 3.22Å; L204-V409 HydrophobicContact CD1-CB 4.49Å; L204-V409 HydrophobicContact CD1-CG1 4.33Å; L204-V409 HydrophobicContact CD1-CG2 4.48Å
205Y86.8Confident79.8Confident11 Ų1153.3 Ų53.34%0.04329%0.287CS..Hα-helixtrans-57.4-46.5176169.4-98.2000111.5Y68 E167 V187 Q188 L191 A201 Q202 S207 V208 R209Y68-Y205 AromaticContact CD1-CD2 3.8Å; Y68-Y205 HydrophobicContact CD1-CD2 3.8Å; Y68-Y205 HydrophobicContact CD1-CE2 4.17Å; Y68-Y205 AromaticContact CE1-CD2 3.68Å; Y68-Y205 HydrophobicContact CE1-CD2 3.68Å; Y68-Y205 AromaticContact CE1-CE2 3.69Å; Y68-Y205 HydrophobicContact CE1-CE2 3.69Å; Y68-Y205 HydrophobicContact CE2-CE2 4.26Å; Y68-Y205 HydrophobicContact CG-CD2 4.41Å; Y68-Y205 AromaticContact CZ-CE2 3.73Å; E167-Y205 PolarHBondContact OE1-OH 3.37Å; E167-Y205 PolarHBondContact OE2-OH 3.27Å; V187-Y205 HydrophobicContact CB-CD2 4.08Å; V187-Y205 HydrophobicContact CB-CE2 3.59Å; V187-Y205 HydrophobicContact CG1-CD2 3.54Å; V187-Y205 HydrophobicContact CG1-CE2 3.62Å; V187-Y205 HydrophobicContact CG1-CG 4.41Å; Q188-Y205 HydrophobicContact CB-CD1 4.34Å; Q188-Y205 HydrophobicContact CB-CE1 3.47Å; Q188-Y205 VanDerWaalsContact CB-CE1 3.47Å; Q188-Y205 HydrophobicContact CG-CD1 4.45Å; Q188-Y205 HydrophobicContact CG-CE1 3.81Å; L191-Y205 HydrophobicContact CD1-CG 4.04Å; A201-Y205 VanDerWaalsContact O-CB 3.29Å; A201-Y205 WeakPolarHBondContact O-CB 3.34Å; A201-Y205 PolarHBondContact O-N 3.24Å; Q202-Y205 PolarHBondContact O-N 3.29Å; Y205-S207 VanDerWaalsContact C-N 3.34Å; Y205-S207 PolarHBondContact O-N 2.92Å; Y205-V208 PolarHBondContact O-N 2.96Å; Y205-R209 VanDerWaalsContact O-CB 3.31Å; Y205-R209 WeakPolarHBondContact O-CB 3.48Å; Y205-R209 PolarHBondContact O-N 3.35Å; Y205-R209 WeakPolarHBondContact OH-CD 3.47Å
206G83Confident78.4Confident30 Ų3058.4 Ų58.431%0.30931%0.314SS..Hα-helixtrans-58-45.1177.500000112.5Q202 D203 L204 Q210Q202-G206 PolarHBondContact O-N 3.32Å; D203-G206 PolarHBondContact O-N 2.94Å; L204-G206 VanDerWaalsContact C-N 3.33Å; L204-G206 PolarHBondContact O-N 2.72Å; G206-Q210 WeakPolarHBondContact O-CB 3.34Å; G206-Q210 PolarHBondContact O-N 2.8Å; G206-Q210 VanDerWaalsContact O-N 3.1Å
207S81.4Confident77Confident9 Ų958.1 Ų58.16%0.06332%0.319CS..Hα-helixtrans-64.2-45.5178.6-162.10000112.4D203 L204 Y205 Q210 A211 H407 S408D203-S207 WeakPolarHBondContact O-CB 3.43Å; D203-S207 PolarHBondContact O-N 3.45Å; L204-S207 PolarHBondContact O-N 2.98Å; Y205-S207 VanDerWaalsContact C-N 3.34Å; Y205-S207 PolarHBondContact O-N 2.92Å; S207-Q210 PolarHBondContact O-N 3.49Å; S207-A211 PolarHBondContact O-N 2.99Å; S207-A211 VanDerWaalsContact O-N 3.09Å; S207-H407 WeakPolarHBondContact OG-CB 3.39Å; S207-S408 PolarHBondContact OG-N 3.24Å; S207-S408 PolarHBondContact OG-O 2.7Å; S207-S408 PolarHBondContact OG-OG 3.4Å; S207-S408 VanDerWaalsContact OG-OG 3.05Å
208V81.5Confident75.5Confident7 Ų757 Ų574%0.04230%0.299CS..Hα-helixtrans-65.7-46.3179175.50000111.3N67 Y68 L204 Y205 Q210 A211 L212N67-V208 VanDerWaalsContact O-CG1 3.25Å; N67-V208 WeakPolarHBondContact O-CG1 3.46Å; Y68-V208 HydrophobicContact CD1-CB 3.95Å; Y68-V208 HydrophobicContact CD1-CG1 3.5Å; Y68-V208 HydrophobicContact CE1-CB 3.97Å; Y68-V208 HydrophobicContact CE1-CG1 3.55Å; L204-V208 HydrophobicContact CD1-CG2 4.26Å; L204-V208 WeakPolarHBondContact O-CG2 3.4Å; L204-V208 PolarHBondContact O-N 3.22Å; Y205-V208 PolarHBondContact O-N 2.96Å; V208-Q210 VanDerWaalsContact C-N 3.27Å; V208-Q210 PolarHBondContact O-N 3.45Å; V208-A211 WeakPolarHBondContact O-CB 3.47Å; V208-A211 PolarHBondContact O-N 3.01Å; V208-A211 VanDerWaalsContact O-N 3.14Å; V208-L212 HydrophobicContact CG1-CD1 4.1Å; V208-L212 WeakPolarHBondContact O-CG 3.38Å; V208-L212 PolarHBondContact O-N 2.9Å
209R84.1Confident73.8Confident91 Ų9158.9 Ų58.934%0.34333%0.325SS..Hα-helixtrans-59.2-41.1179.5-170.2-176.477.3116.20.8111.5Y68 Y205 L212 Q213Y68-R209 HydrophobicContact CE1-CB 4.3Å; Y205-R209 VanDerWaalsContact O-CB 3.31Å; Y205-R209 WeakPolarHBondContact O-CB 3.48Å; Y205-R209 PolarHBondContact O-N 3.35Å; Y205-R209 WeakPolarHBondContact OH-CD 3.47Å; R209-L212 PolarHBondContact O-N 3.41Å; R209-Q213 WeakPolarHBondContact O-CG 3.39Å; R209-Q213 PolarHBondContact O-N 3.37Å; R209-Q213 VanDerWaalsContact O-N 3.16Å
210Q77.5Confident72.3Confident29 Ų2959.9 Ų59.914%0.13634%0.342CS..Hα-helixtrans-64.3-44176.5-173.6173.9-2.600111.9G206 S207 V208 L212 Q213 E214 S378G206-Q210 WeakPolarHBondContact O-CB 3.34Å; G206-Q210 PolarHBondContact O-N 2.8Å; G206-Q210 VanDerWaalsContact O-N 3.1Å; S207-Q210 PolarHBondContact O-N 3.49Å; V208-Q210 VanDerWaalsContact C-N 3.27Å; V208-Q210 PolarHBondContact O-N 3.45Å; Q210-L212 VanDerWaalsContact C-N 3.26Å; Q210-L212 PolarHBondContact O-N 3.04Å; Q210-Q213 PolarHBondContact O-N 3.06Å; Q210-E214 PolarHBondContact O-N 3.19Å; Q210-S378 PolarHBondContact OE1-O 2.89Å
211A74.9Confident71.2Confident22 Ų2264 Ų6418%0.18236%0.356CS..Hα-helixtrans-61.3-34.2176.600000112.8S207 V208 H407S207-A211 PolarHBondContact O-N 2.99Å; S207-A211 VanDerWaalsContact O-N 3.09Å; V208-A211 WeakPolarHBondContact O-CB 3.47Å; V208-A211 PolarHBondContact O-N 3.01Å; V208-A211 VanDerWaalsContact O-N 3.14Å; A211-H407 HydrophobicContact CB-CB 4.28Å
212L75Confident70.3Confident49 Ų4972.9 Ų72.926%0.25739%0.39SS..Hα-helixtrans-70.4-47177.6-69.8168.2000112.8N67 Y68 V208 R209 Q210 E214 K215N67-L212 HydrophobicContact CB-CD1 3.8Å; Y68-L212 HydrophobicContact CE1-CD1 4.2Å; V208-L212 HydrophobicContact CG1-CD1 4.1Å; V208-L212 WeakPolarHBondContact O-CG 3.38Å; V208-L212 PolarHBondContact O-N 2.9Å; R209-L212 PolarHBondContact O-N 3.41Å; Q210-L212 VanDerWaalsContact C-N 3.26Å; Q210-L212 PolarHBondContact O-N 3.04Å; L212-E214 PolarHBondContact O-N 3.22Å; L212-K215 WeakPolarHBondContact O-CB 3.27Å; L212-K215 PolarHBondContact O-N 2.95Å; L212-K215 VanDerWaalsContact O-N 3.14Å
213Q74.7Confident70.1Confident107 Ų10775.5 Ų75.550%0.540%0.402SS..Hα-helixtrans-58.3-33.8179.9-73.3177-9.700112.5R209 Q210R209-Q213 WeakPolarHBondContact O-CG 3.39Å; R209-Q213 PolarHBondContact O-N 3.37Å; R209-Q213 VanDerWaalsContact O-N 3.16Å; Q210-Q213 PolarHBondContact O-N 3.06Å
214E65.1Low70.3Confident38 Ų3872.2 Ų72.218%0.17838%0.384CS..Hα-helixtrans-79.5-20.5-178.2-69.9-171.5-154.500114.2Q210 L212 E216 A217 R362 S378Q210-E214 PolarHBondContact O-N 3.19Å; L212-E214 PolarHBondContact O-N 3.22Å; E214-E216 PolarHBondContact O-N 2.92Å; E214-A217 PolarHBondContact O-N 3.15Å; E214-R362 IonicContact OE2-CZ 3.57Å; E214-R362 IonicContact OE2-NE 2.69Å; E214-R362 PolarHBondContact OE2-NE 3.03Å; E214-R362 IonicContact OE2-NH2 3.36Å; E214-R362 PolarHBondContact OE2-NH2 2.61Å; E214-R362 VanDerWaalsContact OE2-NH2 3.15Å; E214-S378 WeakPolarHBondContact OE1-CB 3.44Å; E214-S378 PolarHBondContact OE1-OG 2.88Å; E214-S378 PolarHBondContact OE2-OG 2.95Å
215K61.9Low70.3Confident138 Ų13875.5 Ų75.560%0.641%0.406SS*.Hα-helixtrans-64.6-26.8177.1-173.2-177.4171.5-168.20112.3L212L212-K215 WeakPolarHBondContact O-CB 3.27Å; L212-K215 PolarHBondContact O-N 2.95Å; L212-K215 VanDerWaalsContact O-N 3.14Å
216E57.3Low70.4Confident180 Ų18079.7 Ų79.784%0.84143%0.426SS*.THydrogen-bonded Turntrans-83.3-12.7-176.8-62.3-174.4158.500113.5E214E214-E216 PolarHBondContact O-N 2.92Å
217A53.7Low70.7Confident77 Ų7780.7 Ų80.764%0.63642%0.422SS*.THydrogen-bonded Turntrans-96.4-0-170.300000115.9E214E214-A217 PolarHBondContact O-N 3.15Å
218D51.9Low70.9Confident76 Ų7683.4 Ų83.441%0.40644%0.436SS..  trans-93.5111.6-169.5-126.326.6000113T400D218-T400 PolarHBondContact OD2-OG1 2.96Å
219G47.4Very low70.9Confident65 Ų6587 Ų8767%0.6746%0.459SS*.  trans-97.1170.518000000115.2Q221G219-Q221 PolarHBondContact O-N 2.8Å
220S51.6Low70.8Confident120 Ų12085.6 Ų85.684%0.83947%0.467SS*.SBendtrans-70.7108.3-153.553.40000119.4
221Q55Low70.8Confident167 Ų16791.7 Ų91.778%0.7850%0.496SS*.  trans-161.2134.7135.3-118177.6-2.400108.2G219 T400G219-Q221 PolarHBondContact O-N 2.8Å; Q221-T400 WeakPolarHBondContact O-CA 3.12Å
222R63.7Low71.1Confident185 Ų18594 Ų9470%0.69851%0.507SS*.  trans-95.3119-171.9-64.2-178.2-173.3172.30.9111.3
223E79.9Confident71.6Confident99 Ų9992 Ų9246%0.46350%0.497SS..SBendtrans-77.3-31175.1-74.8-63.2161.500112.9S399 T400E223-S399 PolarHBondContact N-O 2.96Å; E223-T400 WeakPolarHBondContact CG-O 3.41Å
224F85.1Confident72Confident11 Ų1191.9 Ų91.95%0.04850%0.496CS..SBendtrans-127.6151.7-176-68.1-78.4000112.6S281 R286 W397 S399 S401 L402F224-S281 WeakPolarHBondContact CE1-O 3.46Å; F224-R286 HydrophobicContact CB-CG 4Å; F224-R286 HydrophobicContact CD1-CG 4.15Å; F224-R286 HydrophobicContact CD2-CG 3.7Å; F224-R286 HydrophobicContact CE2-CG 4.14Å; F224-R286 HydrophobicContact CG-CG 3.7Å; F224-W397 HydrophobicContact CE2-CZ2 4.21Å; F224-W397 AromaticContact CE2-NE1 3.74Å; F224-W397 HydrophobicContact CZ-CZ2 4.19Å; F224-S399 PolarHBondContact N-O 2.9Å; F224-S401 VanDerWaalsContact CE2-O 3.3Å; F224-S401 WeakPolarHBondContact CE2-O 3.29Å; F224-L402 HydrophobicContact CZ-CD1 4.34Å
225P85.4Confident72.7Confident75 Ų7592.9 Ų92.949%0.48751%0.511SS..PPolyproline II helixtrans-65.4146.3173.9-3.413.5000112.1N285 R286P225-N285 PolarHBondContact O-ND2 2.55Å; P225-N285 PolarHBondContact O-OD1 2.76Å; P225-N285 VanDerWaalsContact O-OD1 3.11Å; P225-R286 PolarHBondContact O-NH1 3.06Å; P225-R286 PolarHBondContact O-NH2 3.39Å; P225-R286 VanDerWaalsContact O-NH2 3.17Å
226E87.3Confident73.7Confident98 Ų9886.6 Ų86.646%0.45849%0.485SS..PPolyproline II helixtrans-65146.8172.7-73.9-59.8156.900111.7S399E226-S399 VanDerWaalsContact OE1-CB 3.26Å; E226-S399 WeakPolarHBondContact OE1-CB 3.49Å; E226-S399 PolarHBondContact OE1-OG 3.44Å
227H90.4Very high75Confident52 Ų5280 Ų8024%0.24146%0.456CS..PPolyproline II helixtrans-76.9139.9175.3-65.8149.3000110.1N285 R286 I335H227-N285 PolarHBondContact CD2-ND2 3.19Å; H227-N285 PolarHBondContact NE2-O 2.83Å; H227-R286 PolarHBondContact CD2-NH2 3.3Å; H227-R286 PolarHBondContact CE1-NH2 3.41Å; H227-R286 PolarHBondContact ND1-NH2 3.49Å; H227-R286 PolarHBondContact NE2-NH2 3.41Å; H227-I335 WeakPolarHBondContact CE1-CD1 3.42Å
228L85.6Confident76.4Confident65 Ų6584.8 Ų84.834%0.3446%0.462SS..PPolyproline II helixtrans-66.6148.2178.2-63.8177.5000111.3V232 L233 F242 V333L228-V232 HydrophobicContact CD1-CG1 4.2Å; L228-L233 HydrophobicContact CB-CD2 3.79Å; L228-L233 HydrophobicContact CB-CG 4.07Å; L228-L233 HydrophobicContact CD1-CD2 4.21Å; L228-F242 HydrophobicContact CD1-CE2 3.95Å; L228-F242 HydrophobicContact CD1-CZ 3.66Å; L228-V333 HydrophobicContact CD1-CB 3.96Å; L228-V333 HydrophobicContact CD1-CG2 4.21Å; L228-V333 HydrophobicContact CG-CB 4.4Å; L228-V333 PolarHBondContact N-O 2.95Å
229P81.6Confident77.9Confident82 Ų8285.3 Ų85.353%0.53247%0.471SS..PPolyproline II helixtrans-58.9145.4175-22.332.5000112.1Q231 V232 L233P229-Q231 PolarHBondContact O-N 3.48Å; P229-Q231 VanDerWaalsContact O-N 3.09Å; P229-V232 HydrophobicContact CB-CG2 4.33Å; P229-V232 HydrophobicContact CG-CG2 4.35Å; P229-V232 WeakPolarHBondContact O-CB 3.4Å; P229-V232 PolarHBondContact O-N 3.45Å; P229-L233 PolarHBondContact O-N 2.92Å; P229-L233 VanDerWaalsContact O-N 3.09Å
230A80.9Confident79.6Confident63 Ų6385 Ų8552%0.52147%0.469SS..Hα-helixtrans-51.2-39.3-177.400000113.7V232 L233 E234A230-V232 VanDerWaalsContact C-N 3.31Å; A230-V232 PolarHBondContact O-N 3.26Å; A230-L233 PolarHBondContact O-N 2.86Å; A230-E234 WeakPolarHBondContact O-CG 3.42Å; A230-E234 PolarHBondContact O-N 2.88Å
231Q78.8Confident81.1Confident157 Ų15786.8 Ų86.873%0.73446%0.457SS*.Hα-helixtrans-62.4-36.5178.1-63.8168.7600112.9P229 A235P229-Q231 PolarHBondContact O-N 3.48Å; P229-Q231 VanDerWaalsContact O-N 3.09Å; Q231-A235 VanDerWaalsContact O-CB 3.32Å; Q231-A235 WeakPolarHBondContact O-CB 3.46Å; Q231-A235 PolarHBondContact O-N 3.25Å; Q231-A235 VanDerWaalsContact O-N 3.07Å
232V80.8Confident82.7Confident70 Ų7079.3 Ų79.342%0.42442%0.422SS..Hα-helixtrans-74.5-39.6177.8-179.30000110.1L228 P229 A230 A235 G236L228-V232 HydrophobicContact CD1-CG1 4.2Å; P229-V232 HydrophobicContact CB-CG2 4.33Å; P229-V232 HydrophobicContact CG-CG2 4.35Å; P229-V232 WeakPolarHBondContact O-CB 3.4Å; P229-V232 PolarHBondContact O-N 3.45Å; A230-V232 VanDerWaalsContact C-N 3.31Å; A230-V232 PolarHBondContact O-N 3.26Å; V232-A235 PolarHBondContact O-N 2.91Å; V232-G236 PolarHBondContact O-N 2.94Å
233L85.5Confident83.9Confident6 Ų671.1 Ų71.13%0.03139%0.393CS..Hα-helixtrans-61-49.7174.5-64.9177.4000110.9L228 P229 A230 A235 G236 I237 F242 A294 V333 L336L228-L233 HydrophobicContact CB-CD2 3.79Å; L228-L233 HydrophobicContact CB-CG 4.07Å; L228-L233 HydrophobicContact CD1-CD2 4.21Å; P229-L233 PolarHBondContact O-N 2.92Å; P229-L233 VanDerWaalsContact O-N 3.09Å; A230-L233 PolarHBondContact O-N 2.86Å; L233-A235 PolarHBondContact O-N 2.73Å; L233-G236 PolarHBondContact O-N 3.14Å; L233-I237 WeakPolarHBondContact O-CB 3.41Å; L233-I237 WeakPolarHBondContact O-CD1 3.46Å; L233-I237 WeakPolarHBondContact O-CG1 3.38Å; L233-I237 PolarHBondContact O-N 3.25Å; L233-F242 HydrophobicContact CD2-CD2 4.36Å; L233-F242 HydrophobicContact CD2-CE2 4.34Å; L233-A294 HydrophobicContact CD2-CB 3.86Å; L233-V333 HydrophobicContact CD2-CG2 3.95Å; L233-L336 HydrophobicContact CB-CD2 4.11Å; L233-L336 HydrophobicContact CD1-CD2 4.03Å
234E84.1Confident84.4Confident106 Ų10670 Ų7050%0.49539%0.387SS..Hα-helixtrans-60.4-44.7177.8-74.5178-158.700112.5A230 G236 I237 K238A230-E234 WeakPolarHBondContact O-CG 3.42Å; A230-E234 PolarHBondContact O-N 2.88Å; E234-G236 VanDerWaalsContact C-N 3.34Å; E234-I237 PolarHBondContact O-N 3.49Å; E234-K238 WeakPolarHBondContact O-CB 3.41Å; E234-K238 VanDerWaalsContact O-CG 3.32Å; E234-K238 WeakPolarHBondContact O-CG 3.11Å; E234-K238 PolarHBondContact O-N 2.78Å
235A78.4Confident84.6Confident58 Ų5869.7 Ų69.748%0.47939%0.387SS..Hα-helixtrans-63.6-40.917700000111.7Q231 V232 L233 K238 S239Q231-A235 VanDerWaalsContact O-CB 3.32Å; Q231-A235 WeakPolarHBondContact O-CB 3.46Å; Q231-A235 PolarHBondContact O-N 3.25Å; Q231-A235 VanDerWaalsContact O-N 3.07Å; V232-A235 PolarHBondContact O-N 2.91Å; L233-A235 PolarHBondContact O-N 2.73Å; A235-K238 PolarHBondContact O-N 2.69Å; A235-S239 WeakPolarHBondContact O-CB 3.27Å; A235-S239 PolarHBondContact O-N 3.2Å; A235-S239 PolarHBondContact O-OG 3.35Å
236G82.4Confident84.9Confident6 Ų668.2 Ų68.26%0.06238%0.377CS..Hα-helixtrans-69.7-34177.800000113.8V232 L233 E234 S239 G240 R241 F242V232-G236 PolarHBondContact O-N 2.94Å; L233-G236 PolarHBondContact O-N 3.14Å; E234-G236 VanDerWaalsContact C-N 3.34Å; G236-S239 WeakPolarHBondContact CA-OG 3.43Å; G236-S239 PolarHBondContact O-OG 3.33Å; G236-G240 PolarHBondContact O-N 3.46Å; G236-R241 PolarHBondContact O-N 3.34Å; G236-F242 PolarHBondContact O-N 3.47Å
237I85.5Confident85.2Confident43 Ų4363.6 Ų63.622%0.22136%0.355CS..Hα-helixtrans-68.4-46.3172.8-67.7160.9000109.8L233 E234 S239 G240 F242 Q244 A294 L336L233-I237 WeakPolarHBondContact O-CB 3.41Å; L233-I237 WeakPolarHBondContact O-CD1 3.46Å; L233-I237 WeakPolarHBondContact O-CG1 3.38Å; L233-I237 PolarHBondContact O-N 3.25Å; E234-I237 PolarHBondContact O-N 3.49Å; I237-S239 VanDerWaalsContact C-N 3.32Å; I237-S239 PolarHBondContact O-N 2.96Å; I237-G240 PolarHBondContact O-N 3.1Å; I237-F242 HydrophobicContact CG1-CB 4.06Å; I237-Q244 HydrophobicContact CD1-CB 4.25Å; I237-Q244 HydrophobicContact CG1-CB 4.42Å; I237-Q244 HydrophobicContact CG2-CB 4.44Å; I237-A294 HydrophobicContact CD1-CB 4.42Å; I237-L336 HydrophobicContact CD1-CD1 3.8Å; I237-L336 HydrophobicContact CD1-CD2 3.98Å
238K83.4Confident85.2Confident176 Ų17663.8 Ų63.877%0.76536%0.358SS*.Hα-helixtrans-63.7-34.9178.6-74.3175.5-177.5172.30113.1E234 A235 G240E234-K238 WeakPolarHBondContact O-CB 3.41Å; E234-K238 VanDerWaalsContact O-CG 3.32Å; E234-K238 WeakPolarHBondContact O-CG 3.11Å; E234-K238 PolarHBondContact O-N 2.78Å; A235-K238 PolarHBondContact O-N 2.69Å; K238-G240 VanDerWaalsContact C-N 3.26Å
239S83.4Confident85.4Confident87 Ų8761 Ų6161%0.60834%0.344SS*.THydrogen-bonded Turntrans-79.4-6.7175.468.70000113.8A235 G236 I237 R241A235-S239 WeakPolarHBondContact O-CB 3.27Å; A235-S239 PolarHBondContact O-N 3.2Å; A235-S239 PolarHBondContact O-OG 3.35Å; G236-S239 WeakPolarHBondContact CA-OG 3.43Å; G236-S239 PolarHBondContact O-OG 3.33Å; I237-S239 VanDerWaalsContact C-N 3.32Å; I237-S239 PolarHBondContact O-N 2.96Å; S239-R241 VanDerWaalsContact C-N 3.26Å; S239-R241 PolarHBondContact O-N 3.05Å
240G81.8Confident85.6Confident60 Ų6058.1 Ų58.162%0.61933%0.326SS*.THydrogen-bonded Turntrans77.15.7-176.500000114.6G236 I237 K238G236-G240 PolarHBondContact O-N 3.46Å; I237-G240 PolarHBondContact O-N 3.1Å; K238-G240 VanDerWaalsContact C-N 3.26Å
241R83.9Confident85.4Confident157 Ų15761.1 Ų61.159%0.59233%0.327SS*.SBendtrans-67.6-36.6174.9-179.5179.9172.8171.9-1.1112G236 S239 E296G236-R241 PolarHBondContact O-N 3.34Å; S239-R241 VanDerWaalsContact C-N 3.26Å; S239-R241 PolarHBondContact O-N 3.05Å; R241-E296 IonicContact CZ-OE1 2.67Å; R241-E296 IonicContact NE-OE1 3.9Å; R241-E296 PolarHBondContact NE-OE1 3.1Å; R241-E296 IonicContact NH2-OE1 3.5Å; R241-E296 PolarHBondContact NH2-OE1 3.27Å
242F88.6Confident85.1Confident9 Ų960.1 Ų60.14%0.03932%0.322CS..EExtended strand (participates in β ladder)trans-112.3139.2178.9-56.8-40.1000111.2L228 L233 G236 I237 A294 V295 E296 V333L228-F242 HydrophobicContact CD1-CE2 3.95Å; L228-F242 HydrophobicContact CD1-CZ 3.66Å; L233-F242 HydrophobicContact CD2-CD2 4.36Å; L233-F242 HydrophobicContact CD2-CE2 4.34Å; G236-F242 PolarHBondContact O-N 3.47Å; I237-F242 HydrophobicContact CG1-CB 4.06Å; F242-A294 HydrophobicContact CB-CB 4.49Å; F242-V295 CarbonylContact C-O 3.59Å; F242-V295 WeakPolarHBondContact CA-O 3.26Å; F242-E296 HydrophobicContact CD1-CB 3.97Å; F242-E296 HydrophobicContact CD1-CG 4.38Å; F242-E296 HydrophobicContact CE1-CB 3.99Å; F242-E296 HydrophobicContact CE1-CG 4.16Å; F242-V333 HydrophobicContact CD1-CG2 3.94Å; F242-V333 HydrophobicContact CD2-CG2 4.41Å; F242-V333 HydrophobicContact CE1-CG2 3.92Å; F242-V333 HydrophobicContact CE2-CG2 4.4Å; F242-V333 HydrophobicContact CG-CG2 4.21Å; F242-V333 HydrophobicContact CZ-CG2 4.16Å
243V88.9Confident84.8Confident14 Ų1458.9 Ų58.99%0.08531%0.309CS..EExtended strand (participates in β ladder)trans-94.7121.6173.8169.50000108.6L265 L272 V276 V295 L297V243-L265 HydrophobicContact CB-CD1 4.38Å; V243-L265 HydrophobicContact CG1-CD1 3.46Å; V243-L265 VanDerWaalsContact CG1-CD1 3.46Å; V243-L265 HydrophobicContact CG2-CD1 4.25Å; V243-L272 HydrophobicContact CG2-CD1 4.22Å; V243-V276 HydrophobicContact CG1-CG2 4.3Å; V243-V295 PolarHBondContact N-O 3.32Å; V243-V295 PolarHBondContact O-N 3.31Å; V243-L297 HydrophobicContact CG2-CD1 4.4Å; V243-L297 HydrophobicContact CG2-CG 4.37Å
244Q90.6Very high84.5Confident75 Ų7559.3 Ų59.335%0.3531%0.314SS..EExtended strand (participates in β ladder)trans-90136.5173.1170.6173.6-3.300110.3I237 S262 L292 V293 L336I237-Q244 HydrophobicContact CD1-CB 4.25Å; I237-Q244 HydrophobicContact CG1-CB 4.42Å; I237-Q244 HydrophobicContact CG2-CB 4.44Å; Q244-S262 WeakPolarHBondContact O-CB 3.36Å; Q244-S262 PolarHBondContact O-OG 3Å; Q244-L292 HydrophobicContact CG-CD1 4.18Å; Q244-L292 HydrophobicContact CG-CG 4.46Å; Q244-V293 WeakPolarHBondContact CA-O 3.37Å; Q244-L336 HydrophobicContact CB-CD1 4.13Å; Q244-L336 VanDerWaalsContact CD-CD1 3.47Å; Q244-L336 HydrophobicContact CG-CD1 3.54Å
245G90.1Very high84.1Confident4 Ų459.5 Ų59.54%0.04132%0.315CS..EExtended strand (participates in β ladder)trans-174.9177172.400000113.3T261 V293G245-T261 CarbonylContact C-O 3.56Å; G245-T261 VanDerWaalsContact CA-O 3.27Å; G245-T261 WeakPolarHBondContact CA-O 3.43Å; G245-V293 PolarHBondContact N-O 2.67Å; G245-V293 VanDerWaalsContact N-O 3.08Å; G245-V293 WeakPolarHBondContact O-CG2 3.31Å; G245-V293 PolarHBondContact O-N 3.01Å
246T91.5Very high84.1Confident45 Ų4559.5 Ų59.528%0.27631%0.307SS..EExtended strand (participates in β ladder)trans-90130.9-180-55.70000110.4V260 T261T246-V260 WeakPolarHBondContact O-CA 3.35Å; T246-T261 PolarHBondContact N-O 3.22Å; T246-T261 PolarHBondContact O-N 2.75Å; T246-T261 VanDerWaalsContact O-N 3.09Å
247L93Very high84.3Confident0 Ų060.1 Ų60.10%031%0.308CS..EExtended strand (participates in β ladder)trans-81.5119.6-179.9-173.980.1000112.1V249 A258 F259 V260 V278 R284 A287 G290 D291 V293L247-V249 HydrophobicContact CD2-CG2 4.17Å; L247-V249 HydrophobicContact CG-CG2 4.48Å; L247-A258 HydrophobicContact CD1-CB 3.71Å; L247-A258 HydrophobicContact CG-CB 4.21Å; L247-F259 CarbonylContact C-O 3.5Å; L247-V260 HydrophobicContact CB-CG2 4.45Å; L247-V260 HydrophobicContact CD1-CG2 3.57Å; L247-V278 HydrophobicContact CD1-CG2 4.41Å; L247-R284 HydrophobicContact CD2-CG 3.86Å; L247-A287 HydrophobicContact CD2-CB 3.62Å; L247-G290 PolarHBondContact O-N 3.01Å; L247-D291 PolarHBondContact N-O 3.22Å; L247-V293 HydrophobicContact CB-CG1 4.33Å; L247-V293 HydrophobicContact CB-CG2 4.18Å
248N90.9Very high84.5Confident56 Ų5658.1 Ų58.130%0.29930%0.298SS..EExtended strand (participates in β ladder)trans-111.895.6176.3-68.6-49.8000110.7A258 F259 T261N248-A258 CarbonylContact O-C 3.5Å; N248-A258 WeakPolarHBondContact O-CA 3.21Å; N248-F259 PolarHBondContact N-O 3.36Å; N248-F259 PolarHBondContact O-N 3.27Å; N248-T261 PolarHBondContact ND2-OG1 3.49Å
249V89.8Confident84.8Confident8 Ų851.6 Ų51.65%0.04827%0.27CS..EExtended strand (participates in β ladder)trans-66.6135.4172-176.50000111.4L247 A254 A258 H289 R371L247-V249 HydrophobicContact CD2-CG2 4.17Å; L247-V249 HydrophobicContact CG-CG2 4.48Å; V249-A254 HydrophobicContact CG1-CB 3.94Å; V249-A258 HydrophobicContact CG2-CB 4.14Å; V249-H289 HydrophobicContact CB-CB 4.2Å; V249-H289 HydrophobicContact CG2-CB 3.99Å; V249-H289 PolarHBondContact N-ND1 3.41Å; V249-R371 HydrophobicContact CB-CB 4.14Å; V249-R371 HydrophobicContact CB-CG 4.34Å; V249-R371 HydrophobicContact CG1-CB 4.16Å; V249-R371 HydrophobicContact CG1-CG 4.32Å; V249-R371 WeakPolarHBondContact O-CD 3.49Å
250S84.6Confident85.1Confident21 Ų2147.6 Ų47.615%0.14724%0.242CC..  trans-63.5134.9176.4178.90000111.2H252 R253 A254 E257S250-H252 VanDerWaalsContact C-N 3.32Å; S250-H252 PolarHBondContact OG-N 3.15Å; S250-R253 PolarHBondContact OG-N 3.48Å; S250-A254 VanDerWaalsContact O-CA 3.23Å; S250-A254 WeakPolarHBondContact O-CA 3.46Å; S250-A254 WeakPolarHBondContact O-CB 3.45Å; S250-A254 PolarHBondContact O-N 3.29Å; S250-E257 WeakPolarHBondContact CB-O 3.45Å; S250-E257 PolarHBondContact N-O 3.01Å
251K76.6Confident85.1Confident125 Ų12547.4 Ų47.454%0.54323%0.229SC..SBendtrans-70.1-30175.3-74.7-172.7176-173.70112.9R371K251-R371 HydrophobicContact CG-CG 4.03Å
252H72.4Confident84.5Confident136 Ų13641.6 Ų41.663%0.6321%0.212SC*.SBendtrans-91.4-31.5-175.5-56.7-71.7000112S250S250-H252 VanDerWaalsContact C-N 3.32Å; S250-H252 PolarHBondContact OG-N 3.15Å
253R75.1Confident83Confident44 Ų4448.3 Ų48.317%0.16625%0.248CC..SBendtrans-128.652.3-175.5-66.8175.2178.3-123.4-3.7111.3S250 Q255 N256 E257 V307 A309S250-R253 PolarHBondContact OG-N 3.48Å; R253-Q255 PolarHBondContact O-N 3.49Å; R253-Q255 VanDerWaalsContact O-N 3.13Å; R253-N256 PolarHBondContact O-N 3.05Å; R253-N256 VanDerWaalsContact O-N 3.16Å; R253-E257 HydrophobicContact CB-CB 4.11Å; R253-E257 HydrophobicContact CB-CG 4.13Å; R253-E257 WeakPolarHBondContact CD-OE1 3.37Å; R253-E257 WeakPolarHBondContact CD-OE2 3.22Å; R253-E257 IonicContact NE-OE1 3.34Å; R253-E257 IonicContact NH1-OE1 2.85Å; R253-E257 PolarHBondContact O-N 3.17Å; R253-V307 VanDerWaalsContact CZ-CG1 3.4Å; R253-V307 VanDerWaalsContact NH1-CG1 3.26Å; R253-V307 VanDerWaalsContact NH2-CG1 3.25Å; R253-A309 PolarHBondContact NH2-O 3.04Å
254A79.9Confident81.1Confident16 Ų1650.3 Ų50.313%0.13227%0.272CS..THydrogen-bonded Turntrans-63-21.8-169.700000114.5V249 S250 R284 R370V249-A254 HydrophobicContact CG1-CB 3.94Å; S250-A254 VanDerWaalsContact O-CA 3.23Å; S250-A254 WeakPolarHBondContact O-CA 3.46Å; S250-A254 WeakPolarHBondContact O-CB 3.45Å; S250-A254 PolarHBondContact O-N 3.29Å; A254-R284 PolarHBondContact O-NH1 3.48Å; A254-R370 WeakPolarHBondContact CB-O 3.45Å
255Q75.8Confident78.7Confident109 Ų10948.6 Ų48.651%0.50927%0.265SS..THydrogen-bonded Turntrans-80.3-33.5178.1-61-167.113.300112.5R253R253-Q255 PolarHBondContact O-N 3.49Å; R253-Q255 VanDerWaalsContact O-N 3.13Å
256N78.6Confident76.5Confident58 Ų5852.5 Ų52.531%0.3129%0.292SS..THydrogen-bonded Turntrans-111.4-27.4-166.7-59.3-25.8000113.6R253 E279 G280 E317R253-N256 PolarHBondContact O-N 3.05Å; R253-N256 VanDerWaalsContact O-N 3.16Å; N256-E279 CarbonylContact O-C 3.5Å; N256-E279 VanDerWaalsContact O-CA 3.27Å; N256-E279 WeakPolarHBondContact O-CA 3.22Å; N256-G280 PolarHBondContact O-N 2.88Å; N256-E317 VanDerWaalsContact ND2-CD 3.29Å; N256-E317 PolarHBondContact ND2-OE2 2.87Å
257E86.1Confident74Confident20 Ų2055.6 Ų55.69%0.09332%0.315CS..EExtended strand (participates in β ladder)trans-122.7125.6-171.8-68.4179.3-173.900112.8S250 R253S250-E257 WeakPolarHBondContact CB-O 3.45Å; S250-E257 PolarHBondContact N-O 3.01Å; R253-E257 HydrophobicContact CB-CB 4.11Å; R253-E257 HydrophobicContact CB-CG 4.13Å; R253-E257 WeakPolarHBondContact CD-OE1 3.37Å; R253-E257 WeakPolarHBondContact CD-OE2 3.22Å; R253-E257 IonicContact NE-OE1 3.34Å; R253-E257 IonicContact NH1-OE1 2.85Å; R253-E257 PolarHBondContact O-N 3.17Å
258A89.6Confident71.7Confident1 Ų164.3 Ų64.31%0.00835%0.353CS..EExtended strand (participates in β ladder)trans-139.5154.9165.400000110.5L247 N248 V249 V278L247-A258 HydrophobicContact CD1-CB 3.71Å; L247-A258 HydrophobicContact CG-CB 4.21Å; N248-A258 CarbonylContact O-C 3.5Å; N248-A258 WeakPolarHBondContact O-CA 3.21Å; V249-A258 HydrophobicContact CG2-CB 4.14Å; A258-V278 HydrophobicContact CB-CB 4.37Å; A258-V278 PolarHBondContact N-O 3.39Å; A258-V278 PolarHBondContact O-N 2.84Å
259F89.5Confident69.7Low39 Ų3963.2 Ų63.217%0.17135%0.35CS..EExtended strand (participates in β ladder)trans-124.6138.5-179.7-59.9-83.8000110L247 N248 V276 L277 K306 M327L247-F259 CarbonylContact C-O 3.5Å; N248-F259 PolarHBondContact N-O 3.36Å; N248-F259 PolarHBondContact O-N 3.27Å; F259-V276 CarbonylContact C-O 3.57Å; F259-V276 WeakPolarHBondContact CA-O 3.47Å; F259-L277 HydrophobicContact CD1-CB 4.5Å; F259-L277 HydrophobicContact CD1-CD1 4.06Å; F259-L277 HydrophobicContact CE1-CB 4.4Å; F259-L277 HydrophobicContact CE1-CD1 3.51Å; F259-L277 HydrophobicContact CZ-CD1 3.89Å; F259-K306 HydrophobicContact CE1-CD 4.21Å; F259-K306 HydrophobicContact CE1-CG 4.1Å; F259-K306 HydrophobicContact CZ-CD 4.37Å; F259-K306 HydrophobicContact CZ-CG 4.29Å; F259-M327 HydrophobicContact CD1-CE 4.21Å; F259-M327 HydrophobicContact CE1-CE 4.24Å; F259-M327 HydrophobicContact CE1-SD 4.08Å
260V88.9Confident67.9Low2 Ų268 Ų681%0.01238%0.381CS..EExtended strand (participates in β ladder)trans-105.1117172.9177.80000108.8T246 L247 G275 V276 V278 V293 V295T246-V260 WeakPolarHBondContact O-CA 3.35Å; L247-V260 HydrophobicContact CB-CG2 4.45Å; L247-V260 HydrophobicContact CD1-CG2 3.57Å; V260-G275 WeakPolarHBondContact O-CA 3.36Å; V260-V276 HydrophobicContact CB-CB 4.47Å; V260-V276 PolarHBondContact N-O 3.34Å; V260-V276 PolarHBondContact O-N 3.2Å; V260-V278 HydrophobicContact CG2-CG2 3.86Å; V260-V293 HydrophobicContact CG1-CG2 4.09Å; V260-V293 HydrophobicContact CG2-CG2 3.69Å; V260-V295 HydrophobicContact CB-CG2 4.09Å; V260-V295 HydrophobicContact CG1-CG2 3.99Å; V260-V295 HydrophobicContact CG2-CG2 3.72Å
261T83.5Confident66.4Low57 Ų5771.6 Ų71.635%0.3540%0.399SS..EExtended strand (participates in β ladder)trans-105.1129.8177.152.80000109.3G245 T246 N248G245-T261 CarbonylContact C-O 3.56Å; G245-T261 VanDerWaalsContact CA-O 3.27Å; G245-T261 WeakPolarHBondContact CA-O 3.43Å; T246-T261 PolarHBondContact N-O 3.22Å; T246-T261 PolarHBondContact O-N 2.75Å; T246-T261 VanDerWaalsContact O-N 3.09Å; N248-T261 PolarHBondContact ND2-OG1 3.49Å
262S70.2Confident65.7Low34 Ų3466.8 Ų66.824%0.23838%0.379CS..  trans-112.4124.7-179.5-170.90000110.7Q244 G264Q244-S262 WeakPolarHBondContact O-CB 3.36Å; Q244-S262 PolarHBondContact O-OG 3Å; S262-G264 VanDerWaalsContact C-N 3.29Å; S262-G264 PolarHBondContact O-N 2.99Å
263D56.8Low65Low150 Ų15062.1 Ų62.180%0.80236%0.361SS*.THydrogen-bonded Turntrans-79.277.4172.1-67.3-33.3000109.1
264G48.8Very low64.4Low57 Ų5762.4 Ų62.459%0.58837%0.373SS*.THydrogen-bonded Turntrans156.7-13.617400000117.5S262 S266S262-G264 VanDerWaalsContact C-N 3.29Å; S262-G264 PolarHBondContact O-N 2.99Å; G264-S266 VanDerWaalsContact C-N 3.33Å; G264-S266 PolarHBondContact O-N 2.82Å
265L41.6Very low64.4Low39 Ų3962 Ų6220%0.20437%0.37CS..G310 helixtrans-78.9-13.4-178.7-80.8163.4000114.6V243 S267 K268 S269 L272V243-L265 HydrophobicContact CB-CD1 4.38Å; V243-L265 HydrophobicContact CG1-CD1 3.46Å; V243-L265 VanDerWaalsContact CG1-CD1 3.46Å; V243-L265 HydrophobicContact CG2-CD1 4.25Å; L265-S267 PolarHBondContact O-N 2.81Å; L265-K268 PolarHBondContact O-N 3.45Å; L265-K268 VanDerWaalsContact O-N 3.12Å; L265-S269 PolarHBondContact O-N 2.99Å; L265-L272 HydrophobicContact CD1-CD1 4.34Å; L265-L272 HydrophobicContact CD2-CD1 4.36Å
266S43.6Very low64.9Low86 Ų8656.9 Ų56.960%0.60135%0.347SS*.G310 helixtrans-55.2-21.4179.5177.10000114G264G264-S266 VanDerWaalsContact C-N 3.33Å; G264-S266 PolarHBondContact O-N 2.82Å
267S39.6Very low65.5Low110 Ų11054.3 Ų54.377%0.76933%0.333SS*.G310 helixtrans-95.1-22.1-178.4156.60000114.4L265L265-S267 PolarHBondContact O-N 2.81Å
268K43.1Very low65.7Low182 Ų18253.4 Ų53.479%0.79133%0.329SS*.THydrogen-bonded Turntrans-108.9-21.3-168.5-69.7-172.4178.3-179.50114.7L265L265-K268 PolarHBondContact O-N 3.45Å; L265-K268 VanDerWaalsContact O-N 3.12Å
269S50.7Low65.6Low34 Ų3456.5 Ų56.524%0.23834%0.343CS..  trans-153.5106-179.819.80000111L265 D271 L272L265-S269 PolarHBondContact O-N 2.99Å; S269-D271 PolarHBondContact O-N 2.95Å; S269-L272 PolarHBondContact O-N 3.01Å; S269-L272 VanDerWaalsContact O-N 3.11Å
270P50.9Low65.3Low108 Ų10855.6 Ų55.670%0.70135%0.345SS*.G310 helixtrans-62.2-29.8-177.323.6-32.2000112.8L272 S273P270-L272 PolarHBondContact O-N 3.16Å; P270-L272 VanDerWaalsContact O-N 3.14Å; P270-S273 WeakPolarHBondContact O-CB 3.28Å; P270-S273 PolarHBondContact O-N 3.22Å; P270-S273 PolarHBondContact O-OG 3.49Å; P270-S273 VanDerWaalsContact O-OG 3.11Å
271D54Low65Low97 Ų9757.8 Ų57.852%0.51936%0.361SS..G310 helixtrans-61.2-21.3176.6-70.6-3.1000113.6S269 K300 P328S269-D271 PolarHBondContact O-N 2.95Å; D271-K300 IonicContact OD2-NZ 3.04Å; D271-P328 WeakPolarHBondContact O-CG 3.41Å
272L61Low65.2Low24 Ų2461.9 Ų61.913%0.12637%0.374CS..G310 helixtrans-100.74.9-177.5-68.6172.6000113.6V243 L265 S269 P270 A274 G275 V276 L297 P328V243-L272 HydrophobicContact CG2-CD1 4.22Å; L265-L272 HydrophobicContact CD1-CD1 4.34Å; L265-L272 HydrophobicContact CD2-CD1 4.36Å; S269-L272 PolarHBondContact O-N 3.01Å; S269-L272 VanDerWaalsContact O-N 3.11Å; P270-L272 PolarHBondContact O-N 3.16Å; P270-L272 VanDerWaalsContact O-N 3.14Å; L272-A274 VanDerWaalsContact C-N 3.28Å; L272-A274 PolarHBondContact O-N 3.15Å; L272-G275 PolarHBondContact O-N 3.48Å; L272-V276 HydrophobicContact CD2-CG2 3.8Å; L272-L297 HydrophobicContact CD2-CD1 4.22Å; L272-L297 HydrophobicContact CD2-CD2 4.25Å; L272-P328 HydrophobicContact CD2-CB 3.79Å; L272-P328 HydrophobicContact CD2-CG 3.99Å
273S58.2Low66.1Low37 Ų3762 Ų6226%0.25937%0.374SS..THydrogen-bonded Turntrans-61.9-35.1-178.264.90000113P270 G275 E711P270-S273 WeakPolarHBondContact O-CB 3.28Å; P270-S273 PolarHBondContact O-N 3.22Å; P270-S273 PolarHBondContact O-OG 3.49Å; P270-S273 VanDerWaalsContact O-OG 3.11Å; S273-G275 VanDerWaalsContact C-N 3.26Å; S273-G275 PolarHBondContact O-N 3.12Å; S273-E711 VanDerWaalsContact CB-OE1 3.22Å; S273-E711 WeakPolarHBondContact CB-OE1 3.26Å; S273-E711 PolarHBondContact OG-OE1 3.13Å
274A61.9Low67.8Low50 Ų5055.9 Ų55.941%0.41334%0.34SS..THydrogen-bonded Turntrans-78.6-1.5179.600000114.7L272L272-A274 VanDerWaalsContact C-N 3.28Å; L272-A274 PolarHBondContact O-N 3.15Å
275G79.2Confident69.8Low7 Ų753.3 Ų53.37%0.07231%0.313CS..  trans83.7176.9-175.300000114V260 L272 S273 M327V260-G275 WeakPolarHBondContact O-CA 3.36Å; L272-G275 PolarHBondContact O-N 3.48Å; S273-G275 VanDerWaalsContact C-N 3.26Å; S273-G275 PolarHBondContact O-N 3.12Å; G275-M327 WeakPolarHBondContact O-CE 3.19Å
276V87.6Confident72.2Confident3 Ų351.9 Ų51.92%0.01831%0.305CS..EExtended strand (participates in β ladder)trans-109.3124.9-179-176.90000110.1V243 F259 V260 L272 V295 L297 P328V243-V276 HydrophobicContact CG1-CG2 4.3Å; F259-V276 CarbonylContact C-O 3.57Å; F259-V276 WeakPolarHBondContact CA-O 3.47Å; V260-V276 HydrophobicContact CB-CB 4.47Å; V260-V276 PolarHBondContact N-O 3.34Å; V260-V276 PolarHBondContact O-N 3.2Å; L272-V276 HydrophobicContact CD2-CG2 3.8Å; V276-V295 HydrophobicContact CG1-CG1 4Å; V276-L297 HydrophobicContact CB-CD2 4.5Å; V276-L297 HydrophobicContact CG1-CD2 3.77Å; V276-L297 HydrophobicContact CG2-CD2 3.83Å; V276-P328 CarbonylContact C-O 3.59Å; V276-P328 WeakPolarHBondContact CA-O 3.43Å; V276-P328 HydrophobicContact CG2-CB 4.49Å
277L90.3Very high74.5Confident4 Ų447.9 Ų47.92%0.02128%0.276CS..EExtended strand (participates in β ladder)trans-74.1133.8172.9177.265.3000110.1F259 R304 M327 P328 T329 G330F259-L277 HydrophobicContact CD1-CB 4.5Å; F259-L277 HydrophobicContact CD1-CD1 4.06Å; F259-L277 HydrophobicContact CE1-CB 4.4Å; F259-L277 HydrophobicContact CE1-CD1 3.51Å; F259-L277 HydrophobicContact CZ-CD1 3.89Å; L277-R304 HydrophobicContact CD2-CB 4.17Å; L277-M327 HydrophobicContact CB-CE 3.95Å; L277-M327 HydrophobicContact CB-CG 4.09Å; L277-M327 HydrophobicContact CB-SD 3.9Å; L277-M327 HydrophobicContact CD2-CG 4.35Å; L277-M327 HydrophobicContact CD2-SD 4.44Å; L277-P328 PolarHBondContact N-O 3.28Å; L277-T329 CarbonylContact O-C 2.95Å; L277-T329 VanDerWaalsContact O-CA 3.29Å; L277-T329 WeakPolarHBondContact O-CA 3.48Å; L277-T329 WeakPolarHBondContact O-CG2 3.19Å; L277-G330 PolarHBondContact O-N 3.41Å
278V90.2Very high77.1Confident1 Ų142.7 Ų42.71%0.00624%0.24CC..EExtended strand (participates in β ladder)trans-119.6103.6172.3-179.40000107.2L247 A258 V260 R284 V332L247-V278 HydrophobicContact CD1-CG2 4.41Å; A258-V278 HydrophobicContact CB-CB 4.37Å; A258-V278 PolarHBondContact N-O 3.39Å; A258-V278 PolarHBondContact O-N 2.84Å; V260-V278 HydrophobicContact CG2-CG2 3.86Å; V278-R284 HydrophobicContact CG1-CB 4.09Å; V278-V332 HydrophobicContact CG1-CG2 4.36Å
279E88.3Confident79.4Confident65 Ų6535.8 Ų35.830%0.30421%0.211SC..EExtended strand (participates in β ladder)trans-97.8127.8-175.2-167.6-172.2-165.900111.7N256 S283 R304N256-E279 CarbonylContact O-C 3.5Å; N256-E279 VanDerWaalsContact O-CA 3.27Å; N256-E279 WeakPolarHBondContact O-CA 3.22Å; E279-S283 WeakPolarHBondContact O-CB 3.39Å; E279-S283 PolarHBondContact O-OG 3.22Å; E279-R304 VanDerWaalsContact CD-NH1 3.27Å; E279-R304 IonicContact OE1-CZ 2.64Å; E279-R304 IonicContact OE1-NE 3.55Å; E279-R304 IonicContact OE1-NH1 3.66Å; E279-R304 PolarHBondContact OE1-NH1 3.25Å; E279-R304 WeakPolarHBondContact OE2-CD 3.18Å; E279-R304 IonicContact OE2-CZ 3.28Å; E279-R304 VanDerWaalsContact OE2-CZ 3.24Å; E279-R304 IonicContact OE2-NE 3.14Å; E279-R304 PolarHBondContact OE2-NE 2.83Å; E279-R304 IonicContact OE2-NH1 2.76Å; E279-R304 PolarHBondContact OE2-NH1 2.8Å; E279-R304 VanDerWaalsContact OE2-NH1 3.1Å
280G83.4Confident81.3Confident21 Ų2135 Ų3522%0.21621%0.208CC..Hα-helixtrans82.6153.7176.800000114.4N256 K282 S283 R284N256-G280 PolarHBondContact O-N 2.88Å; G280-K282 VanDerWaalsContact C-N 3.3Å; G280-K282 PolarHBondContact O-N 3.12Å; G280-S283 PolarHBondContact O-N 3.33Å; G280-R284 PolarHBondContact O-N 3.24Å
281S83.4Confident83.3Confident48 Ų4829.9 Ų29.934%0.33617%0.174SC..Hα-helixtrans-59.7-37.3-18060.60000113.1F224 R284 N285F224-S281 WeakPolarHBondContact CE1-O 3.46Å; S281-R284 PolarHBondContact O-N 3.09Å; S281-N285 PolarHBondContact O-N 3.1Å; S281-N285 VanDerWaalsContact O-N 3.11Å
282K85.9Confident85Confident143 Ų14327 Ų2762%0.62216%0.159SC*.Hα-helixtrans-64.8-46.3179-68.4-172.7177.6-176.90112.2G280 R284 N285G280-K282 VanDerWaalsContact C-N 3.3Å; G280-K282 PolarHBondContact O-N 3.12Å; K282-R284 VanDerWaalsContact C-N 3.31Å; K282-R284 PolarHBondContact O-N 3.31Å; K282-N285 WeakPolarHBondContact O-CA 3.21Å; K282-N285 PolarHBondContact O-N 3.35Å; K282-N285 VanDerWaalsContact O-N 3.13Å
283S89.8Confident86.6Confident36 Ų3625.9 Ų25.925%0.25215%0.153SC..Hα-helixtrans-68.7-31.2177.1-49.80000111.9E279 G280 N285 V332E279-S283 WeakPolarHBondContact O-CB 3.39Å; E279-S283 PolarHBondContact O-OG 3.22Å; G280-S283 PolarHBondContact O-N 3.33Å; S283-N285 PolarHBondContact O-N 3.5Å; S283-V332 PolarHBondContact O-N 2.83Å
284R91.5Very high88.3Confident22 Ų2224.1 Ų24.18%0.08314%0.141CC..Hα-helixtrans-67.1-23.8171.9-173.5170.664.1-148.75.1113.2L247 A254 V278 G280 S281 K282 R286 A287L247-R284 HydrophobicContact CD2-CG 3.86Å; A254-R284 PolarHBondContact O-NH1 3.48Å; V278-R284 HydrophobicContact CG1-CB 4.09Å; G280-R284 PolarHBondContact O-N 3.24Å; S281-R284 PolarHBondContact O-N 3.09Å; K282-R284 VanDerWaalsContact C-N 3.31Å; K282-R284 PolarHBondContact O-N 3.31Å; R284-R286 PolarHBondContact O-N 3.11Å; R284-A287 WeakPolarHBondContact CD-O 3.06Å; R284-A287 HydrophobicContact CG-CB 4.21Å; R284-A287 VanDerWaalsContact O-CB 3.26Å; R284-A287 WeakPolarHBondContact O-CB 3.46Å; R284-A287 PolarHBondContact O-N 3.39Å
285N91.9Very high89.8Confident3 Ų321.8 Ų21.82%0.01612%0.121CC..THydrogen-bonded Turntrans44.966.5169.5-168.67.7000114.6P225 H227 S281 K282 S283 A287 V332P225-N285 PolarHBondContact O-ND2 2.55Å; P225-N285 PolarHBondContact O-OD1 2.76Å; P225-N285 VanDerWaalsContact O-OD1 3.11Å; H227-N285 PolarHBondContact CD2-ND2 3.19Å; H227-N285 PolarHBondContact NE2-O 2.83Å; S281-N285 PolarHBondContact O-N 3.1Å; S281-N285 VanDerWaalsContact O-N 3.11Å; K282-N285 WeakPolarHBondContact O-CA 3.21Å; K282-N285 PolarHBondContact O-N 3.35Å; K282-N285 VanDerWaalsContact O-N 3.13Å; S283-N285 PolarHBondContact O-N 3.5Å; N285-A287 PolarHBondContact O-N 2.9Å; N285-A287 VanDerWaalsContact O-N 3.07Å; N285-V332 HydrophobicContact CB-CB 4.14Å; N285-V332 HydrophobicContact CB-CG1 4.46Å; N285-V332 VanDerWaalsContact CB-O 3.3Å; N285-V332 WeakPolarHBondContact CB-O 3.48Å; N285-V332 PolarHBondContact ND2-O 3.18Å
286R91.5Very high90.4Very high9 Ų922.9 Ų22.93%0.03412%0.124CC..THydrogen-bonded Turntrans58.219.5176.1-48.9-174.2-61.9-78.4-5.3115.2F224 P225 H227 R284 R338 W397F224-R286 HydrophobicContact CB-CG 4Å; F224-R286 HydrophobicContact CD1-CG 4.15Å; F224-R286 HydrophobicContact CD2-CG 3.7Å; F224-R286 HydrophobicContact CE2-CG 4.14Å; F224-R286 HydrophobicContact CG-CG 3.7Å; P225-R286 PolarHBondContact O-NH1 3.06Å; P225-R286 PolarHBondContact O-NH2 3.39Å; P225-R286 VanDerWaalsContact O-NH2 3.17Å; H227-R286 PolarHBondContact CD2-NH2 3.3Å; H227-R286 PolarHBondContact CE1-NH2 3.41Å; H227-R286 PolarHBondContact ND1-NH2 3.49Å; H227-R286 PolarHBondContact NE2-NH2 3.41Å; R284-R286 PolarHBondContact O-N 3.11Å; R286-R338 PolarHBondContact O-NH1 2.84Å; R286-R338 PolarHBondContact O-NH2 2.99Å; R286-W397 HydrophobicContact CB-CB 4.43Å; R286-W397 HydrophobicContact CB-CD2 3.85Å; R286-W397 HydrophobicContact CB-CE3 4.07Å; R286-W397 HydrophobicContact CB-CG 4Å; R286-W397 VanDerWaalsContact CD-O 3.27Å; R286-W397 WeakPolarHBondContact CD-O 3.5Å; R286-W397 HydrophobicContact CG-CD2 4.08Å; R286-W397 HydrophobicContact CG-CG 4.02Å; R286-W397 PolarHBondContact NE-O 3.31Å
287A92.9Very high90.5Very high1 Ų125.7 Ų25.71%0.00814%0.139CC..  trans-87.5143.3171.300000111.4L247 R284 N285 V293 V332 I335L247-A287 HydrophobicContact CD2-CB 3.62Å; R284-A287 WeakPolarHBondContact CD-O 3.06Å; R284-A287 HydrophobicContact CG-CB 4.21Å; R284-A287 VanDerWaalsContact O-CB 3.26Å; R284-A287 WeakPolarHBondContact O-CB 3.46Å; R284-A287 PolarHBondContact O-N 3.39Å; N285-A287 PolarHBondContact O-N 2.9Å; N285-A287 VanDerWaalsContact O-N 3.07Å; A287-V293 HydrophobicContact CB-CG1 3.77Å; A287-V332 HydrophobicContact CB-CG1 4.37Å; A287-I335 HydrophobicContact CB-CD1 4.04Å; A287-I335 HydrophobicContact CB-CG1 4.41Å
288V92.6Very high90.5Very high1 Ų127.1 Ų27.11%0.00615%0.146CC..  trans-110.4156.3-178-179.30000109.7G290 D291 I372 W397V288-G290 PolarHBondContact O-N 3.36Å; V288-D291 PolarHBondContact N-OD2 3.15Å; V288-D291 VanDerWaalsContact O-CB 3.27Å; V288-D291 WeakPolarHBondContact O-CB 3.43Å; V288-D291 PolarHBondContact O-N 2.87Å; V288-I372 HydrophobicContact CG1-CD1 3.59Å; V288-W397 HydrophobicContact CG2-CE3 4.38Å; V288-W397 HydrophobicContact CG2-CZ3 4.04Å
289H92.6Very high90.3Very high38 Ų3830.8 Ų30.818%0.17617%0.17CC..THydrogen-bonded Turntrans-50.3127.4176.5179.169.3000112V249 R371 I372V249-H289 HydrophobicContact CB-CB 4.2Å; V249-H289 HydrophobicContact CG2-CB 3.99Å; V249-H289 PolarHBondContact N-ND1 3.41Å; H289-R371 HydrophobicContact CB-CB 4.24Å; H289-R371 PolarHBondContact CE1-NH1 3.36Å; H289-R371 PolarHBondContact NE2-NH1 3.43Å; H289-I372 HydrophobicContact CB-CD1 4.18Å
290G90Very high90.1Very high17 Ų1734.4 Ų34.418%0.17519%0.185CC..THydrogen-bonded Turntrans87.1-5.2-177.600000115.2L247 V288 N339L247-G290 PolarHBondContact O-N 3.01Å; V288-G290 PolarHBondContact O-N 3.36Å; G290-N339 VanDerWaalsContact O-CB 3.26Å; G290-N339 WeakPolarHBondContact O-CB 3.34Å
291D92.4Very high90.1Very high0 Ų038.3 Ų38.30%022%0.215CC..  trans-64.2141.6174.5-76.8-11.4000110.8L247 V288 V293 I335 R338 N339L247-D291 PolarHBondContact N-O 3.22Å; V288-D291 PolarHBondContact N-OD2 3.15Å; V288-D291 VanDerWaalsContact O-CB 3.27Å; V288-D291 WeakPolarHBondContact O-CB 3.43Å; V288-D291 PolarHBondContact O-N 2.87Å; D291-V293 HydrophobicContact CB-CG1 4.04Å; D291-I335 HydrophobicContact CB-CG2 4.37Å; D291-R338 WeakPolarHBondContact OD1-CA 3.34Å; D291-R338 WeakPolarHBondContact OD2-CD 3.38Å; D291-R338 IonicContact OD2-CZ 2.62Å; D291-R338 IonicContact OD2-NH1 3.18Å; D291-R338 PolarHBondContact OD2-NH1 3.37Å; D291-N339 PolarHBondContact OD1-N 2.96Å
292L91.3Very high90.1Very high38 Ų3841 Ų4120%0.19922%0.222CC..EExtended strand (participates in β ladder)trans-85.6116.3169.2-171.669.3000108.5Q244 L336 Q337Q244-L292 HydrophobicContact CG-CD1 4.18Å; Q244-L292 HydrophobicContact CG-CG 4.46Å; L292-L336 HydrophobicContact CB-CB 4.49Å; L292-L336 HydrophobicContact CD2-CB 4.13Å; L292-L336 HydrophobicContact CG-CB 4.18Å; L292-L336 HydrophobicContact CG-CD1 4.29Å; L292-L336 PolarHBondContact O-N 2.91Å; L292-Q337 HydrophobicContact CB-CB 3.86Å; L292-Q337 HydrophobicContact CD2-CB 4.13Å; L292-Q337 PolarHBondContact N-O 2.93Å; L292-Q337 PolarHBondContact O-N 2.76Å
293V94Very high90.1Very high0 Ų036.4 Ų36.40%020%0.201CC..EExtended strand (participates in β ladder)trans-122.4156.2-169.4-62.70000112Q244 G245 L247 V260 A287 D291 V295 V332 I335Q244-V293 WeakPolarHBondContact CA-O 3.37Å; G245-V293 PolarHBondContact N-O 2.67Å; G245-V293 VanDerWaalsContact N-O 3.08Å; G245-V293 WeakPolarHBondContact O-CG2 3.31Å; G245-V293 PolarHBondContact O-N 3.01Å; L247-V293 HydrophobicContact CB-CG1 4.33Å; L247-V293 HydrophobicContact CB-CG2 4.18Å; V260-V293 HydrophobicContact CG1-CG2 4.09Å; V260-V293 HydrophobicContact CG2-CG2 3.69Å; A287-V293 HydrophobicContact CB-CG1 3.77Å; D291-V293 HydrophobicContact CB-CG1 4.04Å; V293-V295 HydrophobicContact CG2-CG2 3.95Å; V293-V332 HydrophobicContact CB-CG1 4.06Å; V293-V332 HydrophobicContact CB-CG2 4.33Å; V293-V332 HydrophobicContact CG1-CG1 4.14Å; V293-V332 HydrophobicContact CG2-CG2 4.29Å; V293-I335 HydrophobicContact CG1-CG1 4.35Å
294A92.8Very high89.7Confident0 Ų041 Ų410%021%0.213CC..EExtended strand (participates in β ladder)trans-105.1125.616700000109.2L233 I237 F242 V333 G334 L336L233-A294 HydrophobicContact CD2-CB 3.86Å; I237-A294 HydrophobicContact CD1-CB 4.42Å; F242-A294 HydrophobicContact CB-CB 4.49Å; A294-V333 HydrophobicContact CB-CG2 4.24Å; A294-V333 WeakPolarHBondContact O-CG2 3.43Å; A294-V333 PolarHBondContact O-N 2.94Å; A294-G334 PolarHBondContact N-O 2.94Å; A294-L336 HydrophobicContact CB-CD1 4.43Å; A294-L336 HydrophobicContact CB-CD2 4.48Å; A294-L336 HydrophobicContact CB-CG 4.38Å
295V93.5Very high88.8Confident0 Ų040.4 Ų40.40%021%0.214CC..EExtended strand (participates in β ladder)trans-115.3132.9-174.9-175.70000110.1F242 V243 V260 V276 V293 R331 V332F242-V295 CarbonylContact C-O 3.59Å; F242-V295 WeakPolarHBondContact CA-O 3.26Å; V243-V295 PolarHBondContact N-O 3.32Å; V243-V295 PolarHBondContact O-N 3.31Å; V260-V295 HydrophobicContact CB-CG2 4.09Å; V260-V295 HydrophobicContact CG1-CG2 3.99Å; V260-V295 HydrophobicContact CG2-CG2 3.72Å; V276-V295 HydrophobicContact CG1-CG1 4Å; V293-V295 HydrophobicContact CG2-CG2 3.95Å; V295-R331 CarbonylContact C-O 3.54Å; V295-R331 WeakPolarHBondContact CA-O 3.43Å; V295-R331 WeakPolarHBondContact CG1-O 3.31Å; V295-V332 HydrophobicContact CG2-CG2 4.34Å
296E92.3Very high87.7Confident30 Ų3045.1 Ų45.114%0.1424%0.235CC..EExtended strand (participates in β ladder)trans-94.1127166.7-175.2174.5-132.300108.7R241 F242 G330 R331 V333R241-E296 IonicContact CZ-OE1 2.67Å; R241-E296 IonicContact NE-OE1 3.9Å; R241-E296 PolarHBondContact NE-OE1 3.1Å; R241-E296 IonicContact NH2-OE1 3.5Å; R241-E296 PolarHBondContact NH2-OE1 3.27Å; F242-E296 HydrophobicContact CD1-CB 3.97Å; F242-E296 HydrophobicContact CD1-CG 4.38Å; F242-E296 HydrophobicContact CE1-CB 3.99Å; F242-E296 HydrophobicContact CE1-CG 4.16Å; E296-G330 CarbonylContact O-C 3.58Å; E296-G330 WeakPolarHBondContact O-CA 3.22Å; E296-R331 HydrophobicContact CB-CG 4.37Å; E296-R331 PolarHBondContact N-O 3.09Å; E296-R331 PolarHBondContact O-N 2.9Å; E296-R331 IonicContact OE2-CZ 3.41Å; E296-R331 IonicContact OE2-NE 3.23Å; E296-R331 PolarHBondContact OE2-NE 2.83Å; E296-R331 VanDerWaalsContact OE2-NE 3.1Å; E296-R331 IonicContact OE2-NH2 3.2Å; E296-R331 PolarHBondContact OE2-NH2 2.74Å; E296-V333 HydrophobicContact CB-CG1 3.65Å
297L90.4Very high86.7Confident62 Ų6247.2 Ų47.233%0.32525%0.248SC..EExtended strand (participates in β ladder)trans-71.3136.8177.1-65.5177000110.3V243 L272 V276 P328V243-L297 HydrophobicContact CG2-CD1 4.4Å; V243-L297 HydrophobicContact CG2-CG 4.37Å; L272-L297 HydrophobicContact CD2-CD1 4.22Å; L272-L297 HydrophobicContact CD2-CD2 4.25Å; V276-L297 HydrophobicContact CB-CD2 4.5Å; V276-L297 HydrophobicContact CG1-CD2 3.77Å; V276-L297 HydrophobicContact CG2-CD2 3.83Å; L297-P328 HydrophobicContact CD2-CB 4.47Å
298L89.1Confident85.3Confident34 Ų3449.7 Ų49.718%0.17826%0.263CS..PPolyproline II helixtrans-76.5158.5171.4-61.2179.5000110.3E302 W303 T329 R331L298-E302 HydrophobicContact CB-CB 4.11Å; L298-E302 HydrophobicContact CD1-CB 4.36Å; L298-W303 PolarHBondContact O-NE1 2.78Å; L298-T329 WeakPolarHBondContact CB-O 3.48Å; L298-T329 HydrophobicContact CD1-CG2 4.01Å; L298-T329 PolarHBondContact N-O 3.1Å; L298-R331 HydrophobicContact CD2-CG 4.34Å
299P87.4Confident83.8Confident78 Ų7850.8 Ų50.851%0.50627%0.273SS..PPolyproline II helixtrans-51.9146170.9-24.734.6000111.5A301 E302 W303P299-A301 PolarHBondContact O-N 3.22Å; P299-E302 PolarHBondContact O-N 2.93Å; P299-W303 VanDerWaalsContact O-CD1 3.29Å
300K84.1Confident82.2Confident142 Ų14250.3 Ų50.362%0.61727%0.271SS*.G310 helixtrans-55.7-26.2-178.2-69.9-167.1173.5-1660113.9D271 E302 W303D271-K300 IonicContact OD2-NZ 3.04Å; K300-E302 PolarHBondContact O-N 3.32Å; K300-W303 HydrophobicContact CB-CD2 4.41Å; K300-W303 HydrophobicContact CD-CH2 4.33Å; K300-W303 HydrophobicContact CG-CD2 4.26Å; K300-W303 HydrophobicContact CG-CE3 4.47Å; K300-W303 HydrophobicContact CG-CH2 4.05Å; K300-W303 HydrophobicContact CG-CZ2 3.79Å; K300-W303 HydrophobicContact CG-CZ3 4.37Å; K300-W303 WeakPolarHBondContact O-CB 3.42Å; K300-W303 PolarHBondContact O-N 3.01Å
301A82.6Confident80.5Confident102 Ų10250.1 Ų50.184%0.84327%0.267SS*.G310 helixtrans-68.9-20.8176.300000113.7P299P299-A301 PolarHBondContact O-N 3.22Å
302E82.9Confident78.4Confident104 Ų10453.3 Ų53.349%0.48628%0.282SS..G310 helixtrans-99.26.3178.7-64.5176.2-153.500112.1L298 P299 K300 R304L298-E302 HydrophobicContact CB-CB 4.11Å; L298-E302 HydrophobicContact CD1-CB 4.36Å; P299-E302 PolarHBondContact O-N 2.93Å; K300-E302 PolarHBondContact O-N 3.32Å; E302-R304 PolarHBondContact O-N 3.04Å
303W86.9Confident76.4Confident48 Ų4852.7 Ų52.718%0.18229%0.285CS..  trans-71.2126.2177.4-73.713000110.1L298 P299 K300 P326 M327 P328L298-W303 PolarHBondContact O-NE1 2.78Å; P299-W303 VanDerWaalsContact O-CD1 3.29Å; K300-W303 HydrophobicContact CB-CD2 4.41Å; K300-W303 HydrophobicContact CD-CH2 4.33Å; K300-W303 HydrophobicContact CG-CD2 4.26Å; K300-W303 HydrophobicContact CG-CE3 4.47Å; K300-W303 HydrophobicContact CG-CH2 4.05Å; K300-W303 HydrophobicContact CG-CZ2 3.79Å; K300-W303 HydrophobicContact CG-CZ3 4.37Å; K300-W303 WeakPolarHBondContact O-CB 3.42Å; K300-W303 PolarHBondContact O-N 3.01Å; W303-P326 HydrophobicContact CB-CB 4.04Å; W303-M327 VanDerWaalsContact CB-O 3.28Å; W303-M327 WeakPolarHBondContact CB-O 3.36Å; W303-P328 HydrophobicContact CE3-CG 4.5Å; W303-P328 HydrophobicContact CH2-CB 4.22Å; W303-P328 HydrophobicContact CH2-CG 4Å; W303-P328 HydrophobicContact CZ2-CB 4.16Å; W303-P328 HydrophobicContact CZ2-CG 4.44Å; W303-P328 HydrophobicContact CZ3-CB 4.49Å; W303-P328 HydrophobicContact CZ3-CG 4.03Å
304R81.4Confident73.8Confident131 Ų13157 Ų5749%0.49431%0.313SS..  trans-106.8159.8177.5-55.4-143.1-171.5171.1-15.7110.6L277 E279 E302 M327 T329L277-R304 HydrophobicContact CD2-CB 4.17Å; E279-R304 VanDerWaalsContact CD-NH1 3.27Å; E279-R304 IonicContact OE1-CZ 2.64Å; E279-R304 IonicContact OE1-NE 3.55Å; E279-R304 IonicContact OE1-NH1 3.66Å; E279-R304 PolarHBondContact OE1-NH1 3.25Å; E279-R304 WeakPolarHBondContact OE2-CD 3.18Å; E279-R304 IonicContact OE2-CZ 3.28Å; E279-R304 VanDerWaalsContact OE2-CZ 3.24Å; E279-R304 IonicContact OE2-NE 3.14Å; E279-R304 PolarHBondContact OE2-NE 2.83Å; E279-R304 IonicContact OE2-NH1 2.76Å; E279-R304 PolarHBondContact OE2-NH1 2.8Å; E279-R304 VanDerWaalsContact OE2-NH1 3.1Å; E302-R304 PolarHBondContact O-N 3.04Å; R304-M327 WeakPolarHBondContact O-CG 3.29Å; R304-M327 PolarHBondContact O-N 2.97Å; R304-T329 PolarHBondContact N-OG1 3.27Å
305G71.9Confident71.1Confident11 Ų1161.5 Ų61.511%0.11335%0.35CS..  trans-96.6174.8173.700000112.7T324 K325G305-T324 VanDerWaalsContact C-OG1 3.25Å; G305-T324 WeakPolarHBondContact CA-OG1 3.19Å; G305-K325 VanDerWaalsContact CA-O 3.27Å; G305-K325 WeakPolarHBondContact CA-O 3.3Å
306K69.8Low68.8Low102 Ų10265.1 Ų65.144%0.44337%0.369SS..  trans-80.8130.4178.8-63.7-176.8-179.3174.90110.2F259 T308 T324 M327F259-K306 HydrophobicContact CE1-CD 4.21Å; F259-K306 HydrophobicContact CE1-CG 4.1Å; F259-K306 HydrophobicContact CZ-CD 4.37Å; F259-K306 HydrophobicContact CZ-CG 4.29Å; K306-T308 PolarHBondContact O-N 3.03Å; K306-T324 WeakPolarHBondContact O-CG2 3.24Å; K306-M327 HydrophobicContact CD-SD 4.07Å; K306-M327 WeakPolarHBondContact CE-SD 3.44Å; K306-M327 HydrophobicContact CG-SD 3.44Å; K306-M327 WeakPolarHBondContact CG-SD 3.35Å
307V69.3Low66.6Low53 Ų5366.5 Ų66.532%0.32138%0.376SS..  trans-75125.6173.6-168.80000110R253 A309R253-V307 VanDerWaalsContact CZ-CG1 3.4Å; R253-V307 VanDerWaalsContact NH1-CG1 3.26Å; R253-V307 VanDerWaalsContact NH2-CG1 3.25Å; V307-A309 HydrophobicContact CG1-CB 4.1Å
308T64.3Low64Low53 Ų5375.3 Ų75.333%0.32541%0.405SS..  trans-95.5-3.5-178.641.30000114.3K306 R880 D881 R924K306-T308 PolarHBondContact O-N 3.03Å; T308-R880 WeakPolarHBondContact O-CD 3.35Å; T308-D881 WeakPolarHBondContact CA-OD2 3.36Å; T308-D881 VanDerWaalsContact CB-OD2 3.22Å; T308-D881 WeakPolarHBondContact CB-OD2 3.25Å; T308-D881 VanDerWaalsContact OG1-CG 3.24Å; T308-D881 PolarHBondContact OG1-OD1 2.84Å; T308-D881 PolarHBondContact OG1-OD2 3.14Å; T308-R924 PolarHBondContact OG1-NH1 3.42Å
309A60.8Low61.4Low24 Ų2478.4 Ų78.420%0.19843%0.429CS..  trans-72.9133178.400000112.2R253 V307 D881R253-A309 PolarHBondContact NH2-O 3.04Å; V307-A309 HydrophobicContact CG1-CB 4.1Å; A309-D881 HydrophobicContact CB-CB 4.05Å; A309-D881 PolarHBondContact N-OD2 3.05Å
310L58.1Low59Low27 Ų2777.5 Ų77.514%0.14143%0.434CS..  trans-62.2143.4172.5-59.6167.1000109.8R880 N882 L885 P896 Y898L310-R880 HydrophobicContact CD1-CB 4.01Å; L310-R880 HydrophobicContact CD1-CG 4.29Å; L310-R880 HydrophobicContact CD2-CB 4.22Å; L310-R880 HydrophobicContact CD2-CG 3.81Å; L310-R880 HydrophobicContact CG-CB 3.76Å; L310-R880 HydrophobicContact CG-CG 3.94Å; L310-N882 WeakPolarHBondContact CA-OD1 3.19Å; L310-N882 WeakPolarHBondContact CB-OD1 3.46Å; L310-N882 PolarHBondContact N-OD1 3.15Å; L310-N882 PolarHBondContact O-ND2 3Å; L310-L885 HydrophobicContact CD2-CD2 3.94Å; L310-P896 HydrophobicContact CD1-CB 4Å; L310-P896 HydrophobicContact CD2-CB 4.03Å; L310-Y898 HydrophobicContact CB-CD1 4.02Å; L310-Y898 HydrophobicContact CB-CE1 3.36Å; L310-Y898 HydrophobicContact CD1-CD1 4.26Å; L310-Y898 HydrophobicContact CD1-CE1 4.2Å; L310-Y898 HydrophobicContact CG-CE1 4.39Å
311S55.2Low56.8Low14 Ų1478.7 Ų78.710%0.09845%0.448CS..  trans-121.1129.9177.6161.30000109.6G313 Y898S311-G313 PolarHBondContact O-N 3.21Å; S311-G313 PolarHBondContact OG-N 3.42Å; S311-G313 PolarHBondContact OG-O 3.28Å; S311-G313 VanDerWaalsContact OG-O 3.14Å; S311-Y898 PolarHBondContact O-OH 3.06Å
312E49.1Very low54.9Low67 Ų6779 Ų7931%0.31344%0.435SS..  trans-89.647172.1-72.4-165.6154.800111.7Y898 K902E312-Y898 HydrophobicContact CG-CD1 3.96Å; E312-Y898 HydrophobicContact CG-CD2 4.01Å; E312-Y898 HydrophobicContact CG-CE1 3.42Å; E312-Y898 VanDerWaalsContact CG-CE1 3.42Å; E312-Y898 HydrophobicContact CG-CE2 3.52Å; E312-Y898 HydrophobicContact CG-CG 4.22Å; E312-Y898 WeakPolarHBondContact CG-OH 3.49Å; E312-Y898 WeakPolarHBondContact OE1-CD2 3.31Å; E312-Y898 VanDerWaalsContact OE1-CE2 3.3Å; E312-Y898 WeakPolarHBondContact OE1-CE2 3.46Å; E312-K902 WeakPolarHBondContact OE2-CE 3.31Å; E312-K902 WeakPolarHBondContact OE2-CG 3.13Å; E312-K902 IonicContact OE2-NZ 2.71Å
313G49.4Very low53Low25 Ų2583.9 Ų83.926%0.25846%0.458SS..SBendtrans88.2-172.7179.700000114.3S311 A315S311-G313 PolarHBondContact O-N 3.21Å; S311-G313 PolarHBondContact OG-N 3.42Å; S311-G313 PolarHBondContact OG-O 3.28Å; S311-G313 VanDerWaalsContact OG-O 3.14Å; G313-A315 PolarHBondContact O-N 3.36Å; G313-A315 VanDerWaalsContact O-N 3.08Å
314P38.1Very low51.6Low91 Ų9183.6 Ų83.659%0.59146%0.461SS*.THydrogen-bonded Turntrans-70.9-7.2-163.326.3-33.9000115.3
315A36Very low50.9Low94 Ų9486.7 Ų86.778%0.77748%0.478SS*.THydrogen-bonded Turntrans-87.1-16.5-175.200000114.2G313G313-A315 PolarHBondContact O-N 3.36Å; G313-A315 VanDerWaalsContact O-N 3.08Å
316D45.7Very low51.1Low76 Ų7690.5 Ų90.541%0.40650%0.501SS..  trans-101.717.5-169.6-108-17.9000114.7R318D316-R318 PolarHBondContact O-N 2.99Å; D316-R318 VanDerWaalsContact O-N 3.08Å
317E45.6Very low51.8Low59 Ų5986.4 Ų86.428%0.27648%0.484SS..  trans-80.415.3-168.5-61.2-169.8159.200115.5N256N256-E317 VanDerWaalsContact ND2-CD 3.29Å; N256-E317 PolarHBondContact ND2-OE2 2.87Å
318R36.4Very low52.6Low246 Ų24684.2 Ų84.293%0.92847%0.471SS*.  trans-115.670.2177.9-70.5-173.4-179.1178.91.7112.1D316D316-R318 PolarHBondContact O-N 2.99Å; D316-R318 VanDerWaalsContact O-N 3.08Å
319S34.9Very low53.9Low99 Ų9981.9 Ų81.969%0.69246%0.456SS*.  trans-153.5126159.251.80000113.1
320G36.4Very low55.3Low60 Ų6080.7 Ų80.762%0.61945%0.447SS*.  trans85.210914900000118.4D322G320-D322 VanDerWaalsContact C-N 3.33Å; G320-D322 PolarHBondContact O-N 3.38Å; G320-D322 VanDerWaalsContact O-N 3.1Å
321D36.9Very low56.9Low167 Ų16785.3 Ų85.389%0.89346%0.462SS*.  trans-65.893.2150-85.4-31.3000107.8
322D43.2Very low58.8Low109 Ų10984.8 Ų84.858%0.58346%0.459SS*.  trans-96.1129.3169.1-96.2-25.9000110G320 T324G320-D322 VanDerWaalsContact C-N 3.33Å; G320-D322 PolarHBondContact O-N 3.38Å; G320-D322 VanDerWaalsContact O-N 3.1Å; D322-T324 VanDerWaalsContact C-N 3.32Å; D322-T324 PolarHBondContact O-N 2.76Å; D322-T324 PolarHBondContact O-OG1 3Å
323E44.6Very low60.9Low206 Ų20682.3 Ų82.396%0.96345%0.448SS*.  trans-61.488178.6-73.1-168.6159.800111
324T56.9Low62.9Low42 Ų4281.1 Ų81.126%0.25844%0.436SS..PPolyproline II helixtrans-99.7144.9175.7470000108.8G305 K306 D322 P326G305-T324 VanDerWaalsContact C-OG1 3.25Å; G305-T324 WeakPolarHBondContact CA-OG1 3.19Å; K306-T324 WeakPolarHBondContact O-CG2 3.24Å; D322-T324 VanDerWaalsContact C-N 3.32Å; D322-T324 PolarHBondContact O-N 2.76Å; D322-T324 PolarHBondContact O-OG1 3Å; T324-P326 WeakPolarHBondContact O-CD 3.36Å; T324-P326 VanDerWaalsContact O-N 3.1Å
325K66.7Low65.4Low195 Ų19578.2 Ų78.285%0.84842%0.415SS*.PPolyproline II helixtrans-53.8121.8-179.6-79.7-177.9179.5175.80109.4G305 M327G305-K325 VanDerWaalsContact CA-O 3.27Å; G305-K325 WeakPolarHBondContact CA-O 3.3Å; K325-M327 PolarHBondContact O-N 2.93Å
326P75.6Confident67.9Low92 Ų9276.5 Ų76.560%0.59739%0.392SS*.PPolyproline II helixtrans-62.1128.4-176.623-32000109.5W303 T324W303-P326 HydrophobicContact CB-CB 4.04Å; T324-P326 WeakPolarHBondContact O-CD 3.36Å; T324-P326 VanDerWaalsContact O-N 3.1Å
327M83.6Confident70Confident16 Ų1679.1 Ų79.18%0.07940%0.402CS..  trans-115.5157.1177.768.9169.4-66.800110.7F259 G275 L277 W303 R304 K306 K325 T329F259-M327 HydrophobicContact CD1-CE 4.21Å; F259-M327 HydrophobicContact CE1-CE 4.24Å; F259-M327 HydrophobicContact CE1-SD 4.08Å; G275-M327 WeakPolarHBondContact O-CE 3.19Å; L277-M327 HydrophobicContact CB-CE 3.95Å; L277-M327 HydrophobicContact CB-CG 4.09Å; L277-M327 HydrophobicContact CB-SD 3.9Å; L277-M327 HydrophobicContact CD2-CG 4.35Å; L277-M327 HydrophobicContact CD2-SD 4.44Å; W303-M327 VanDerWaalsContact CB-O 3.28Å; W303-M327 WeakPolarHBondContact CB-O 3.36Å; R304-M327 WeakPolarHBondContact O-CG 3.29Å; R304-M327 PolarHBondContact O-N 2.97Å; K306-M327 HydrophobicContact CD-SD 4.07Å; K306-M327 WeakPolarHBondContact CE-SD 3.44Å; K306-M327 HydrophobicContact CG-SD 3.44Å; K306-M327 WeakPolarHBondContact CG-SD 3.35Å; K325-M327 PolarHBondContact O-N 2.93Å; M327-T329 PolarHBondContact O-N 2.81Å; M327-T329 PolarHBondContact O-OG1 2.98Å
328P87.9Confident72Confident7 Ų779.2 Ų79.25%0.04540%0.4CS..  trans-51.5119.4178.9-24.832000111.3D271 L272 V276 L277 L297 W303D271-P328 WeakPolarHBondContact O-CG 3.41Å; L272-P328 HydrophobicContact CD2-CB 3.79Å; L272-P328 HydrophobicContact CD2-CG 3.99Å; V276-P328 CarbonylContact C-O 3.59Å; V276-P328 WeakPolarHBondContact CA-O 3.43Å; V276-P328 HydrophobicContact CG2-CB 4.49Å; L277-P328 PolarHBondContact N-O 3.28Å; L297-P328 HydrophobicContact CD2-CB 4.47Å; W303-P328 HydrophobicContact CE3-CG 4.5Å; W303-P328 HydrophobicContact CH2-CB 4.22Å; W303-P328 HydrophobicContact CH2-CG 4Å; W303-P328 HydrophobicContact CZ2-CB 4.16Å; W303-P328 HydrophobicContact CZ2-CG 4.44Å; W303-P328 HydrophobicContact CZ3-CB 4.49Å; W303-P328 HydrophobicContact CZ3-CG 4.03Å
329T89.8Confident74.5Confident3 Ų371.6 Ų71.62%0.01838%0.378CS..BIsolated β-bridgetrans-115.9140.7-178.6-54.40000109.4L277 L298 R304 M327L277-T329 CarbonylContact O-C 2.95Å; L277-T329 VanDerWaalsContact O-CA 3.29Å; L277-T329 WeakPolarHBondContact O-CA 3.48Å; L277-T329 WeakPolarHBondContact O-CG2 3.19Å; L298-T329 WeakPolarHBondContact CB-O 3.48Å; L298-T329 HydrophobicContact CD1-CG2 4.01Å; L298-T329 PolarHBondContact N-O 3.1Å; R304-T329 PolarHBondContact N-OG1 3.27Å; M327-T329 PolarHBondContact O-N 2.81Å; M327-T329 PolarHBondContact O-OG1 2.98Å
330G91.1Very high77.1Confident0 Ų068.5 Ų68.50%035%0.351CS..EExtended strand (participates in β ladder)trans-149.3168.6-172.700000113.7L277 E296L277-G330 PolarHBondContact O-N 3.41Å; E296-G330 CarbonylContact O-C 3.58Å; E296-G330 WeakPolarHBondContact O-CA 3.22Å
331R92.8Very high79.6Confident123 Ų12367.6 Ų67.646%0.46433%0.329SS..EExtended strand (participates in β ladder)trans-122.9142.9175.466.4-178.8-178-169.4-1.7111.5V295 E296 L298 V333V295-R331 CarbonylContact C-O 3.54Å; V295-R331 WeakPolarHBondContact CA-O 3.43Å; V295-R331 WeakPolarHBondContact CG1-O 3.31Å; E296-R331 HydrophobicContact CB-CG 4.37Å; E296-R331 PolarHBondContact N-O 3.09Å; E296-R331 PolarHBondContact O-N 2.9Å; E296-R331 IonicContact OE2-CZ 3.41Å; E296-R331 IonicContact OE2-NE 3.23Å; E296-R331 PolarHBondContact OE2-NE 2.83Å; E296-R331 VanDerWaalsContact OE2-NE 3.1Å; E296-R331 IonicContact OE2-NH2 3.2Å; E296-R331 PolarHBondContact OE2-NH2 2.74Å; L298-R331 HydrophobicContact CD2-CG 4.34Å; R331-V333 HydrophobicContact CG-CG1 4.45Å; R331-V333 PolarHBondContact O-N 3.25Å
332V94.5Very high82.2Confident4 Ų462 Ų622%0.02430%0.299CS..EExtended strand (participates in β ladder)trans-75.4119.21781770000109.6V278 S283 N285 A287 V293 V295 I335V278-V332 HydrophobicContact CG1-CG2 4.36Å; S283-V332 PolarHBondContact O-N 2.83Å; N285-V332 HydrophobicContact CB-CB 4.14Å; N285-V332 HydrophobicContact CB-CG1 4.46Å; N285-V332 VanDerWaalsContact CB-O 3.3Å; N285-V332 WeakPolarHBondContact CB-O 3.48Å; N285-V332 PolarHBondContact ND2-O 3.18Å; A287-V332 HydrophobicContact CB-CG1 4.37Å; V293-V332 HydrophobicContact CB-CG1 4.06Å; V293-V332 HydrophobicContact CB-CG2 4.33Å; V293-V332 HydrophobicContact CG1-CG1 4.14Å; V293-V332 HydrophobicContact CG2-CG2 4.29Å; V295-V332 HydrophobicContact CG2-CG2 4.34Å; V332-I335 HydrophobicContact CG1-CG1 4.48Å
333V92.6Very high84.6Confident15 Ų1556.9 Ų56.99%0.09127%0.271CS..EExtended strand (participates in β ladder)trans-101.2-16.1179.2-65.90000112.8L228 L233 F242 A294 E296 R331L228-V333 HydrophobicContact CD1-CB 3.96Å; L228-V333 HydrophobicContact CD1-CG2 4.21Å; L228-V333 HydrophobicContact CG-CB 4.4Å; L228-V333 PolarHBondContact N-O 2.95Å; L233-V333 HydrophobicContact CD2-CG2 3.95Å; F242-V333 HydrophobicContact CD1-CG2 3.94Å; F242-V333 HydrophobicContact CD2-CG2 4.41Å; F242-V333 HydrophobicContact CE1-CG2 3.92Å; F242-V333 HydrophobicContact CE2-CG2 4.4Å; F242-V333 HydrophobicContact CG-CG2 4.21Å; F242-V333 HydrophobicContact CZ-CG2 4.16Å; A294-V333 HydrophobicContact CB-CG2 4.24Å; A294-V333 WeakPolarHBondContact O-CG2 3.43Å; A294-V333 PolarHBondContact O-N 2.94Å; E296-V333 HydrophobicContact CB-CG1 3.65Å; R331-V333 HydrophobicContact CG-CG1 4.45Å; R331-V333 PolarHBondContact O-N 3.25Å
334G90.8Very high86.9Confident0 Ų047 Ų470%023%0.225CC..EExtended strand (participates in β ladder)trans-173.6164.7176.400000112.8A294A294-G334 PolarHBondContact N-O 2.94Å
335I92Very high88.7Confident30 Ų3045 Ų4515%0.15421%0.213CC..EExtended strand (participates in β ladder)trans-117.3118.6-176.3-56.5177.6000107.6H227 A287 D291 V293 V332 R338H227-I335 WeakPolarHBondContact CE1-CD1 3.42Å; A287-I335 HydrophobicContact CB-CD1 4.04Å; A287-I335 HydrophobicContact CB-CG1 4.41Å; D291-I335 HydrophobicContact CB-CG2 4.37Å; V293-I335 HydrophobicContact CG1-CG1 4.35Å; V332-I335 HydrophobicContact CG1-CG1 4.48Å; I335-R338 VanDerWaalsContact CD1-NH2 3.27Å; I335-R338 HydrophobicContact CG2-CG 4.24Å
336L88.3Confident89.8Confident58 Ų5835.9 Ų35.930%0.30417%0.173SC..EExtended strand (participates in β ladder)trans-83.9-40.6-176.3-59.1171.8000110.5L233 I237 Q244 L292 A294L233-L336 HydrophobicContact CB-CD2 4.11Å; L233-L336 HydrophobicContact CD1-CD2 4.03Å; I237-L336 HydrophobicContact CD1-CD1 3.8Å; I237-L336 HydrophobicContact CD1-CD2 3.98Å; Q244-L336 HydrophobicContact CB-CD1 4.13Å; Q244-L336 VanDerWaalsContact CD-CD1 3.47Å; Q244-L336 HydrophobicContact CG-CD1 3.54Å; L292-L336 HydrophobicContact CB-CB 4.49Å; L292-L336 HydrophobicContact CD2-CB 4.13Å; L292-L336 HydrophobicContact CG-CB 4.18Å; L292-L336 HydrophobicContact CG-CD1 4.29Å; L292-L336 PolarHBondContact O-N 2.91Å; A294-L336 HydrophobicContact CB-CD1 4.43Å; A294-L336 HydrophobicContact CB-CD2 4.48Å; A294-L336 HydrophobicContact CB-CG 4.38Å
337Q88.8Confident90.4Very high130 Ų13031.7 Ų31.761%0.60715%0.146SC*.EExtended strand (participates in β ladder)trans-147.7129.5177.9-175178.1-21.200110.5L292L292-Q337 HydrophobicContact CB-CB 3.86Å; L292-Q337 HydrophobicContact CD2-CB 4.13Å; L292-Q337 PolarHBondContact N-O 2.93Å; L292-Q337 PolarHBondContact O-N 2.76Å
338R88Confident90.1Very high61 Ų6133.1 Ų33.123%0.2316%0.156CC..  trans-82.6138.2174.4-69.2-69.1-168.9170.68.5110.8R286 D291 I335 W340R286-R338 PolarHBondContact O-NH1 2.84Å; R286-R338 PolarHBondContact O-NH2 2.99Å; D291-R338 WeakPolarHBondContact OD1-CA 3.34Å; D291-R338 WeakPolarHBondContact OD2-CD 3.38Å; D291-R338 IonicContact OD2-CZ 2.62Å; D291-R338 IonicContact OD2-NH1 3.18Å; D291-R338 PolarHBondContact OD2-NH1 3.37Å; I335-R338 VanDerWaalsContact CD1-NH2 3.27Å; I335-R338 HydrophobicContact CG2-CG 4.24Å; R338-W340 HydrophobicContact CB-CD2 4.5Å; R338-W340 HydrophobicContact CG-CZ2 4.5Å; R338-W340 VanDerWaalsContact CZ-CZ2 3.43Å
339N88.3Confident89.3Confident86 Ų8636.6 Ų36.646%0.4618%0.179SC..  trans-112.835.2174.1-168.243.8000112G290 D291G290-N339 VanDerWaalsContact O-CB 3.26Å; G290-N339 WeakPolarHBondContact O-CB 3.34Å; D291-N339 PolarHBondContact OD1-N 2.96Å
340W89.4Confident88.1Confident35 Ų3540 Ų4013%0.13319%0.191CC..  trans-65.7142177.4-59.4-16.7000111.1R96 R338 Y343 I394 D395R96-W340 PolarHBondContact NH1-O 2.75Å; R96-W340 PolarHBondContact NH2-O 2.99Å; R338-W340 HydrophobicContact CB-CD2 4.5Å; R338-W340 HydrophobicContact CG-CZ2 4.5Å; R338-W340 VanDerWaalsContact CZ-CZ2 3.43Å; W340-Y343 WeakPolarHBondContact CA-OH 3.36Å; W340-I394 HydrophobicContact CD2-CB 4.11Å; W340-I394 HydrophobicContact CD2-CG2 3.99Å; W340-I394 HydrophobicContact CE3-CB 4.17Å; W340-I394 HydrophobicContact CE3-CG2 4.01Å; W340-I394 HydrophobicContact CG-CB 4.46Å; W340-I394 HydrophobicContact CH2-CG2 3.91Å; W340-I394 HydrophobicContact CZ2-CG2 3.87Å; W340-I394 HydrophobicContact CZ3-CG2 3.98Å; W340-I394 WeakPolarHBondContact CZ3-O 3.43Å; W340-D395 WeakPolarHBondContact CZ3-O 3.44Å
341R89.8Confident86.4Confident41 Ų4146.5 Ų46.516%0.15523%0.226CC..  trans-136.7-176179.155.8175.8176.184.4-8.1109.4Y343 D369 E428 C430R341-Y343 HydrophobicContact CG-CD1 4.1Å; R341-Y343 HydrophobicContact CG-CE1 3.59Å; R341-Y343 HydrophobicContact CG-CE2 4.46Å; R341-Y343 WeakPolarHBondContact O-CD2 3.09Å; R341-Y343 WeakPolarHBondContact O-CE2 3.4Å; R341-Y343 PolarHBondContact O-N 2.77Å; R341-D369 IonicContact NH2-OD2 2.94Å; R341-E428 IonicContact CZ-OE2 2.76Å; R341-E428 PolarHBondContact NH1-O 3.39Å; R341-E428 IonicContact NH1-OE1 3.05Å; R341-E428 IonicContact NH1-OE2 3.69Å; R341-E428 PolarHBondContact NH1-OE2 3.4Å; R341-E428 PolarHBondContact NH2-O 2.99Å; R341-E428 IonicContact NH2-OE2 2.67Å; R341-E428 PolarHBondContact NH2-OE2 2.82Å; R341-C430 WeakPolarHBondContact CD-SG 3.14Å
342D90.8Very high84Confident48 Ų4845.7 Ų45.726%0.25725%0.246SC..  trans-69.8127167.5-68.35.7000107.5V391 R393 I427D342-V391 HydrophobicContact CB-CG1 3.73Å; D342-R393 VanDerWaalsContact OD1-CG 3.31Å; D342-R393 WeakPolarHBondContact OD1-CG 3.28Å; D342-R393 IonicContact OD1-CZ 3.12Å; D342-R393 IonicContact OD1-NE 2.79Å; D342-R393 PolarHBondContact OD1-NE 3.47Å; D342-R393 IonicContact OD1-NH2 3.95Å; D342-R393 PolarHBondContact OD1-NH2 3.09Å; D342-R393 IonicContact OD2-CZ 3.14Å; D342-R393 IonicContact OD2-NE 3.76Å; D342-R393 IonicContact OD2-NH2 2.96Å; D342-R393 PolarHBondContact OD2-NH2 3.17Å; D342-I427 HydrophobicContact CB-CG2 4.08Å
343Y93.6Very high81.5Confident2 Ų250.2 Ų50.21%0.00828%0.283CS..EExtended strand (participates in β ladder)trans-114.8136.7179.4-60.4-72.9000109.1W340 R341 I372 V391 V392 I394W340-Y343 WeakPolarHBondContact CA-OH 3.36Å; R341-Y343 HydrophobicContact CG-CD1 4.1Å; R341-Y343 HydrophobicContact CG-CE1 3.59Å; R341-Y343 HydrophobicContact CG-CE2 4.46Å; R341-Y343 WeakPolarHBondContact O-CD2 3.09Å; R341-Y343 WeakPolarHBondContact O-CE2 3.4Å; R341-Y343 PolarHBondContact O-N 2.77Å; Y343-I372 HydrophobicContact CD1-CD1 4.3Å; Y343-I372 HydrophobicContact CD1-CG1 3.92Å; Y343-I372 HydrophobicContact CD1-CG2 4.15Å; Y343-I372 HydrophobicContact CE1-CD1 3.6Å; Y343-I372 HydrophobicContact CE1-CG1 3.75Å; Y343-I372 HydrophobicContact CE1-CG2 4.15Å; Y343-I372 HydrophobicContact CG-CG2 4.43Å; Y343-V391 CarbonylContact O-C 3.52Å; Y343-V391 WeakPolarHBondContact O-CA 3.27Å; Y343-V392 PolarHBondContact N-O 2.77Å; Y343-V392 PolarHBondContact O-N 2.94Å; Y343-I394 HydrophobicContact CD2-CD1 4.02Å; Y343-I394 HydrophobicContact CD2-CG1 4.04Å; Y343-I394 HydrophobicContact CE2-CD1 3.51Å; Y343-I394 HydrophobicContact CE2-CG1 3.86Å
344V94.5Very high79.3Confident0 Ų056.2 Ų56.20%031%0.31CS..EExtended strand (participates in β ladder)trans-87.4130.8171.7-176.40000108.4P367 W368 R389 L390 L412 T424 I427 E428V344-P367 CarbonylContact O-C 3.6Å; V344-P367 WeakPolarHBondContact O-CA 3.3Å; V344-W368 HydrophobicContact CB-CB 4.27Å; V344-W368 WeakPolarHBondContact O-CB 3.43Å; V344-W368 PolarHBondContact O-N 2.62Å; V344-R389 HydrophobicContact CG1-CB 3.88Å; V344-R389 HydrophobicContact CG1-CG 4.42Å; V344-L390 CarbonylContact C-O 3.52Å; V344-L390 VanDerWaalsContact CA-O 3.28Å; V344-L390 WeakPolarHBondContact CA-O 2.8Å; V344-L412 HydrophobicContact CG1-CD1 4.17Å; V344-L412 HydrophobicContact CG2-CD1 4.11Å; V344-T424 HydrophobicContact CB-CG2 3.9Å; V344-T424 HydrophobicContact CG1-CG2 3.75Å; V344-T424 HydrophobicContact CG2-CG2 4.02Å; V344-I427 HydrophobicContact CG2-CB 4.08Å; V344-I427 HydrophobicContact CG2-CD1 4.45Å; V344-I427 HydrophobicContact CG2-CG2 3.89Å; V344-E428 HydrophobicContact CB-CG 4.38Å; V344-E428 HydrophobicContact CG2-CG 4.19Å; V344-E428 PolarHBondContact N-OE1 3.2Å
345V93.1Very high77.1Confident0 Ų059.9 Ų59.90%034%0.34CS..EExtended strand (participates in β ladder)trans-131.9162.8-179.2-49.30000110.7A365 V366 P367 I377 L390 V392V345-A365 HydrophobicContact CB-CB 3.88Å; V345-A365 HydrophobicContact CG1-CB 4.34Å; V345-A365 HydrophobicContact CG2-CB 3.65Å; V345-V366 CarbonylContact C-O 3.53Å; V345-V366 VanDerWaalsContact CA-O 3.25Å; V345-V366 WeakPolarHBondContact CA-O 3.22Å; V345-V366 WeakPolarHBondContact CB-O 3.41Å; V345-P367 HydrophobicContact CG1-CB 4.42Å; V345-P367 HydrophobicContact CG1-CG 4.38Å; V345-I377 HydrophobicContact CG2-CD1 4.26Å; V345-L390 HydrophobicContact CG2-CB 4.06Å; V345-L390 PolarHBondContact N-O 3.32Å; V345-L390 PolarHBondContact O-N 3.34Å; V345-V392 HydrophobicContact CB-CG2 4.48Å; V345-V392 HydrophobicContact CG1-CB 4.06Å; V345-V392 HydrophobicContact CG1-CG2 4.18Å; V345-V392 HydrophobicContact CG2-CB 4.23Å; V345-V392 HydrophobicContact CG2-CG2 3.43Å; V345-V392 VanDerWaalsContact CG2-CG2 3.43Å
346T91.1Very high74.8Confident2 Ų267.8 Ų67.81%0.01238%0.377CS..EExtended strand (participates in β ladder)trans-129.9146.9169.1-570000108.7V366 Q386 R389T346-V366 PolarHBondContact N-O 3.39Å; T346-V366 PolarHBondContact O-N 3.37Å; T346-Q386 VanDerWaalsContact CG2-O 3.28Å; T346-Q386 WeakPolarHBondContact CG2-O 3.4Å; T346-R389 WeakPolarHBondContact OG1-CD 3.4Å; T346-R389 PolarHBondContact OG1-NH1 2.89Å
347F86.9Confident72.8Confident5 Ų568.1 Ų68.12%0.02238%0.384CS..PPolyproline II helixtrans-80.1134.3172.7-62.6-40000109.8V363 A365 I377 T379 L385 L390F347-V363 HydrophobicContact CB-CG1 4.23Å; F347-V363 HydrophobicContact CD1-CB 4.33Å; F347-V363 HydrophobicContact CD1-CG1 3.61Å; F347-V363 HydrophobicContact CE1-CB 4.44Å; F347-V363 HydrophobicContact CE1-CG1 4.19Å; F347-V363 HydrophobicContact CG-CG1 4.04Å; F347-A365 HydrophobicContact CD1-CB 3.86Å; F347-A365 HydrophobicContact CE1-CB 3.88Å; F347-I377 HydrophobicContact CE1-CD1 4.18Å; F347-T379 HydrophobicContact CE2-CG2 4.05Å; F347-T379 HydrophobicContact CZ-CG2 3.81Å; F347-L385 HydrophobicContact CD2-CB 3.83Å; F347-L385 HydrophobicContact CE2-CB 3.69Å; F347-L385 HydrophobicContact CE2-CD1 4.26Å; F347-L390 HydrophobicContact CD2-CD1 4.12Å; F347-L390 HydrophobicContact CE2-CD1 3.99Å; F347-L390 HydrophobicContact CE2-CD2 4.19Å; F347-L390 HydrophobicContact CZ-CD1 4.27Å; F347-L390 HydrophobicContact CZ-CD2 4.34Å
348P78.3Confident70.8Confident46 Ų4674.1 Ų74.130%0.29940%0.401SS..PPolyproline II helixtrans-64.1152.5179.226.2-33000111.1R350 L364 Q386P348-R350 PolarHBondContact O-N 3.36Å; P348-L364 WeakPolarHBondContact CD-O 3.47Å; P348-L364 WeakPolarHBondContact CG-O 3.43Å; P348-Q386 PolarHBondContact O-NE2 2.78Å
349P70.2Confident68.9Low79 Ų7974.1 Ų74.151%0.51342%0.415SS..PPolyproline II helixtrans-52.4135.4166.2-21.131.9000109.5
350R64.9Low67.2Low76 Ų7672.4 Ų72.429%0.28741%0.412SS..PPolyproline II helixtrans-73.5130.9174.2-82.9179.2129.9-179.3-11.5108.6P348 A352 Q354 D383P348-R350 PolarHBondContact O-N 3.36Å; R350-A352 PolarHBondContact O-N 2.99Å; R350-Q354 PolarHBondContact NH2-O 3.26Å; R350-D383 WeakPolarHBondContact CD-OD1 3.47Å; R350-D383 IonicContact CZ-OD1 2.79Å; R350-D383 IonicContact NE-OD1 3.84Å; R350-D383 IonicContact NH1-OD1 3.45Å; R350-D383 PolarHBondContact NH1-OD1 2.76Å; R350-D383 IonicContact NH1-OD2 2.73Å; R350-D383 PolarHBondContact NH1-OD2 2.88Å
351D55.3Low66.1Low136 Ų13672.4 Ų72.473%0.72741%0.413SS*.PPolyproline II helixtrans-62.2133.6158.6-72.5-33000108A353 Q354D351-A353 PolarHBondContact O-N 2.67Å; D351-Q354 PolarHBondContact O-N 3.29Å
352A43.6Very low65.3Low106 Ų10676.5 Ų76.588%0.87643%0.429SS*.THydrogen-bonded Turntrans-55.5-7.9-173.200000115.3R350R350-A352 PolarHBondContact O-N 2.99Å
353A42Very low64.9Low99 Ų9975.2 Ų75.282%0.81842%0.423SS*.THydrogen-bonded Turntrans-86.4-8.9-178.300000115.6D351D351-A353 PolarHBondContact O-N 2.67Å
354Q46.5Very low64.6Low141 Ų14177.9 Ų77.966%0.65944%0.437SS*.  trans-107.917.8-173.6-75.9-175.6-5.800115.7R350 D351 Q356R350-Q354 PolarHBondContact NH2-O 3.26Å; D351-Q354 PolarHBondContact O-N 3.29Å; Q354-Q356 VanDerWaalsContact C-N 3.31Å; Q354-Q356 PolarHBondContact O-N 3.14Å; Q354-Q356 VanDerWaalsContact O-N 3.08Å
355A44.5Very low64.4Low76 Ų7677.9 Ų77.963%0.62844%0.437SS*.  trans-77.617.6-167.800000117.5
356Q42.9Very low64.3Low196 Ų19678.7 Ų78.792%0.91644%0.442SS*.  trans-12321.6-162.8-77.7-172.4-14.900118.7Q354Q354-Q356 VanDerWaalsContact C-N 3.31Å; Q354-Q356 PolarHBondContact O-N 3.14Å; Q354-Q356 VanDerWaalsContact O-N 3.08Å
357S46.8Very low64.4Low66 Ų6678.8 Ų78.846%0.46244%0.442SS..  trans-131.1122.2171.8-173.10000113.8A359 Q361S357-A359 VanDerWaalsContact C-N 3.3Å; S357-A359 PolarHBondContact OG-N 3.23Å; S357-Q361 PolarHBondContact O-NE2 3.25Å
358R46.7Very low64.7Low255 Ų25579.9 Ų79.996%0.96245%0.446SS*.  trans-83.32.9172.6-73.8-175.1175.5178.6-1.7113.7
359A47.6Very low65.2Low62 Ų6278.3 Ų78.351%0.51244%0.435SS..SBendtrans-80.6158.1173.400000110.8S357 Q361S357-A359 VanDerWaalsContact C-N 3.3Å; S357-A359 PolarHBondContact OG-N 3.23Å; A359-Q361 VanDerWaalsContact O-CG 3.29Å; A359-Q361 WeakPolarHBondContact O-CG 3.34Å; A359-Q361 PolarHBondContact O-N 3.11Å
360A52.6Low66Low49 Ų4979.3 Ų79.341%0.40543%0.429SS..  trans-39113.9170.800000112
361Q66.8Low67.3Low35 Ų3578 Ų7816%0.16442%0.424CS..EExtended strand (participates in β ladder)trans-97.5131.7-177-64174.68.200109.9S357 A359 V363 T379S357-Q361 PolarHBondContact O-NE2 3.25Å; A359-Q361 VanDerWaalsContact O-CG 3.29Å; A359-Q361 WeakPolarHBondContact O-CG 3.34Å; A359-Q361 PolarHBondContact O-N 3.11Å; Q361-V363 HydrophobicContact CB-CG2 4.28Å; Q361-V363 PolarHBondContact O-N 3.35Å; Q361-T379 PolarHBondContact N-O 3.46Å; Q361-T379 PolarHBondContact O-N 3.26Å
362R73.1Confident69Low128 Ų12872 Ų7248%0.48339%0.392SS..EExtended strand (participates in β ladder)trans-76.7108.4167.2-73.1176.1169.6-176.90.5108.5E214 R376E214-R362 IonicContact OE2-CZ 3.57Å; E214-R362 IonicContact OE2-NE 2.69Å; E214-R362 PolarHBondContact OE2-NE 3.03Å; E214-R362 IonicContact OE2-NH2 3.36Å; E214-R362 PolarHBondContact OE2-NH2 2.61Å; E214-R362 VanDerWaalsContact OE2-NH2 3.15Å; R362-R376 HydrophobicContact CB-CG 4.41Å
363V82.9Confident71.2Confident21 Ų2168.1 Ų68.113%0.12736%0.358CS..EExtended strand (participates in β ladder)trans-106136.5178.3-175.20000109.2F347 Q361 A365 I377 A382F347-V363 HydrophobicContact CB-CG1 4.23Å; F347-V363 HydrophobicContact CD1-CB 4.33Å; F347-V363 HydrophobicContact CD1-CG1 3.61Å; F347-V363 HydrophobicContact CE1-CB 4.44Å; F347-V363 HydrophobicContact CE1-CG1 4.19Å; F347-V363 HydrophobicContact CG-CG1 4.04Å; Q361-V363 HydrophobicContact CB-CG2 4.28Å; Q361-V363 PolarHBondContact O-N 3.35Å; V363-A365 PolarHBondContact O-N 2.91Å; V363-I377 PolarHBondContact N-O 2.89Å; V363-I377 PolarHBondContact O-N 3.1Å; V363-A382 HydrophobicContact CG2-CB 3.73Å
364L87.4Confident73.6Confident58 Ų5868 Ų6830%0.30434%0.338SS..EExtended strand (participates in β ladder)trans-88.197.7170.4-69.6176.3000108.8P348 R376 Y403P348-L364 WeakPolarHBondContact CD-O 3.47Å; P348-L364 WeakPolarHBondContact CG-O 3.43Å; L364-R376 HydrophobicContact CD2-CB 4.07Å; L364-R376 HydrophobicContact CD2-CG 4.46Å; L364-Y403 HydrophobicContact CD1-CD2 4.14Å; L364-Y403 HydrophobicContact CD1-CE2 3.77Å; L364-Y403 HydrophobicContact CD2-CD2 3.6Å; L364-Y403 HydrophobicContact CD2-CE2 4.1Å; L364-Y403 HydrophobicContact CD2-CG 3.89Å
365A89.6Confident75.7Confident0 Ų061.2 Ų61.20%031%0.307CS..EExtended strand (participates in β ladder)trans-72.7139175.200000110.7V345 F347 V363 P367 K374 V375 I377V345-A365 HydrophobicContact CB-CB 3.88Å; V345-A365 HydrophobicContact CG1-CB 4.34Å; V345-A365 HydrophobicContact CG2-CB 3.65Å; F347-A365 HydrophobicContact CD1-CB 3.86Å; F347-A365 HydrophobicContact CE1-CB 3.88Å; V363-A365 PolarHBondContact O-N 2.91Å; A365-P367 WeakPolarHBondContact O-CD 3.47Å; A365-K374 WeakPolarHBondContact O-CA 3.33Å; A365-V375 PolarHBondContact N-O 3.45Å; A365-V375 PolarHBondContact O-N 3.3Å; A365-I377 HydrophobicContact CB-CD1 3.48Å; A365-I377 VanDerWaalsContact CB-CD1 3.48Å; A365-I377 HydrophobicContact CB-CG1 4.06Å
366V91.6Very high77.8Confident16 Ų1659.8 Ų59.810%0.09729%0.285CS..EExtended strand (participates in β ladder)trans-99.7116.6-179.4-176.10000108.6V345 T346 K374 C957V345-V366 CarbonylContact C-O 3.53Å; V345-V366 VanDerWaalsContact CA-O 3.25Å; V345-V366 WeakPolarHBondContact CA-O 3.22Å; V345-V366 WeakPolarHBondContact CB-O 3.41Å; T346-V366 PolarHBondContact N-O 3.39Å; T346-V366 PolarHBondContact O-N 3.37Å; V366-K374 HydrophobicContact CG2-CD 4.45Å; V366-K374 HydrophobicContact CG2-CG 4.48Å; V366-C957 HydrophobicContact CB-CB 4.01Å; V366-C957 HydrophobicContact CG1-CB 3.74Å
367P92.3Very high79.8Confident4 Ų450.5 Ų50.53%0.02624%0.242CC..EExtended strand (participates in β ladder)trans-64.2146.4175.1-22.132.7000112.8V344 V345 A365 I372 P373 V375 H958V344-P367 CarbonylContact O-C 3.6Å; V344-P367 WeakPolarHBondContact O-CA 3.3Å; V345-P367 HydrophobicContact CG1-CB 4.42Å; V345-P367 HydrophobicContact CG1-CG 4.38Å; A365-P367 WeakPolarHBondContact O-CD 3.47Å; P367-I372 HydrophobicContact CB-CB 3.87Å; P367-I372 HydrophobicContact CB-CG2 4.11Å; P367-I372 HydrophobicContact CG-CB 3.96Å; P367-I372 HydrophobicContact CG-CG2 3.8Å; P367-P373 VanDerWaalsContact CG-O 3.29Å; P367-P373 WeakPolarHBondContact CG-O 3.43Å; P367-V375 HydrophobicContact CG-CG2 4.37Å; P367-H958 PolarHBondContact O-CE1 2.95Å; P367-H958 VanDerWaalsContact O-CE1 3.25Å; P367-H958 PolarHBondContact O-ND1 3.18Å
368W92.3Very high81.5Confident28 Ų2847.9 Ų47.911%0.10622%0.224CC..SBendtrans-61-45.8173.7-176.695000110.7V344 R370 T424 E428 L849 H958 A959V344-W368 HydrophobicContact CB-CB 4.27Å; V344-W368 WeakPolarHBondContact O-CB 3.43Å; V344-W368 PolarHBondContact O-N 2.62Å; W368-R370 PolarHBondContact O-N 3.26Å; W368-T424 HydrophobicContact CB-CG2 4.42Å; W368-T424 HydrophobicContact CD2-CG2 3.97Å; W368-T424 HydrophobicContact CG-CG2 3.78Å; W368-E428 HydrophobicContact CD2-CG 4.3Å; W368-E428 HydrophobicContact CE3-CB 4.45Å; W368-E428 HydrophobicContact CE3-CG 3.72Å; W368-E428 HydrophobicContact CZ3-CB 4.4Å; W368-E428 HydrophobicContact CZ3-CG 4.16Å; W368-L849 HydrophobicContact CH2-CD1 4.13Å; W368-L849 HydrophobicContact CH2-CD2 4.11Å; W368-H958 PolarHBondContact O-ND1 3.35Å; W368-A959 HydrophobicContact CH2-CB 4.28Å; W368-A959 HydrophobicContact CZ2-CB 3.39Å
369D89.9Confident83Confident13 Ų1336.2 Ų36.27%0.0718%0.181CC..SBendtrans-77.2111.6172.6-173.1-8.2000111.4R341 R371 I372R341-D369 IonicContact NH2-OD2 2.94Å; D369-R371 PolarHBondContact O-N 2.99Å; D369-R371 WeakPolarHBondContact OD1-CB 3.43Å; D369-R371 WeakPolarHBondContact OD1-CG 3.5Å; D369-R371 IonicContact OD1-CZ 3.56Å; D369-R371 PolarHBondContact OD1-N 2.82Å; D369-R371 IonicContact OD1-NE 3.49Å; D369-R371 PolarHBondContact OD1-NE 3.34Å; D369-R371 IonicContact OD1-NH2 3.01Å; D369-R371 IonicContact OD2-CZ 3.5Å; D369-R371 IonicContact OD2-NE 4Å; D369-R371 PolarHBondContact OD2-NE 3.3Å; D369-R371 VanDerWaalsContact OD2-NE 3.07Å; D369-R371 IonicContact OD2-NH2 3.01Å; D369-R371 PolarHBondContact OD2-NH2 3.38Å; D369-I372 HydrophobicContact CB-CG1 4.07Å; D369-I372 PolarHBondContact O-N 2.95Å
370R87.8Confident84.3Confident101 Ų10140.7 Ų40.738%0.38119%0.191SC..THydrogen-bonded Turntrans-56.7-20.4179.7-64.7-179.2-178.6122.22.8114.3A254 W368 I372A254-R370 WeakPolarHBondContact CB-O 3.45Å; W368-R370 PolarHBondContact O-N 3.26Å; R370-I372 PolarHBondContact O-N 3Å
371R90.3Very high85.4Confident49 Ų4943.8 Ų43.819%0.18520%0.197CC..THydrogen-bonded Turntrans-72.6-16.3177.2-66.3173.7-71.5176.95.9113.3V249 K251 H289 D369V249-R371 HydrophobicContact CB-CB 4.14Å; V249-R371 HydrophobicContact CB-CG 4.34Å; V249-R371 HydrophobicContact CG1-CB 4.16Å; V249-R371 HydrophobicContact CG1-CG 4.32Å; V249-R371 WeakPolarHBondContact O-CD 3.49Å; K251-R371 HydrophobicContact CG-CG 4.03Å; H289-R371 HydrophobicContact CB-CB 4.24Å; H289-R371 PolarHBondContact CE1-NH1 3.36Å; H289-R371 PolarHBondContact NE2-NH1 3.43Å; D369-R371 PolarHBondContact O-N 2.99Å; D369-R371 WeakPolarHBondContact OD1-CB 3.43Å; D369-R371 WeakPolarHBondContact OD1-CG 3.5Å; D369-R371 IonicContact OD1-CZ 3.56Å; D369-R371 PolarHBondContact OD1-N 2.82Å; D369-R371 IonicContact OD1-NE 3.49Å; D369-R371 PolarHBondContact OD1-NE 3.34Å; D369-R371 IonicContact OD1-NH2 3.01Å; D369-R371 IonicContact OD2-CZ 3.5Å; D369-R371 IonicContact OD2-NE 4Å; D369-R371 PolarHBondContact OD2-NE 3.3Å; D369-R371 VanDerWaalsContact OD2-NE 3.07Å; D369-R371 IonicContact OD2-NH2 3.01Å; D369-R371 PolarHBondContact OD2-NH2 3.38Å
372I91.6Very high85.8Confident9 Ų942.5 Ų42.55%0.04619%0.193CC..SBendtrans-96.2131.3-178.4-51.6-58.3000108.6V288 H289 Y343 P367 D369 R370V288-I372 HydrophobicContact CG1-CD1 3.59Å; H289-I372 HydrophobicContact CB-CD1 4.18Å; Y343-I372 HydrophobicContact CD1-CD1 4.3Å; Y343-I372 HydrophobicContact CD1-CG1 3.92Å; Y343-I372 HydrophobicContact CD1-CG2 4.15Å; Y343-I372 HydrophobicContact CE1-CD1 3.6Å; Y343-I372 HydrophobicContact CE1-CG1 3.75Å; Y343-I372 HydrophobicContact CE1-CG2 4.15Å; Y343-I372 HydrophobicContact CG-CG2 4.43Å; P367-I372 HydrophobicContact CB-CB 3.87Å; P367-I372 HydrophobicContact CB-CG2 4.11Å; P367-I372 HydrophobicContact CG-CB 3.96Å; P367-I372 HydrophobicContact CG-CG2 3.8Å; D369-I372 HydrophobicContact CB-CG1 4.07Å; D369-I372 PolarHBondContact O-N 2.95Å; R370-I372 PolarHBondContact O-N 3Å
373P90.3Very high85.9Confident25 Ų2541 Ų4116%0.16219%0.194CC..PPolyproline II helixtrans-67155.5177.429.4-35.8000111.2P367 V375 W397 P404P367-P373 VanDerWaalsContact CG-O 3.29Å; P367-P373 WeakPolarHBondContact CG-O 3.43Å; P373-V375 PolarHBondContact O-N 3.06Å; P373-W397 HydrophobicContact CB-CH2 3.96Å; P373-W397 HydrophobicContact CB-CZ3 4.47Å; P373-W397 HydrophobicContact CG-CH2 3.55Å; P373-W397 HydrophobicContact CG-CZ3 3.58Å; P373-P404 HydrophobicContact CG-CG 4.2Å
374K91.5Very high85.8Confident95 Ų9543.5 Ų43.541%0.41322%0.217SC..PPolyproline II helixtrans-53138.7173.2-62-178.7-178.9-178.50110.7A365 V366 Y403 P404A365-K374 WeakPolarHBondContact O-CA 3.33Å; V366-K374 HydrophobicContact CG2-CD 4.45Å; V366-K374 HydrophobicContact CG2-CG 4.48Å; K374-Y403 HydrophobicContact CB-CD1 3.85Å; K374-Y403 HydrophobicContact CB-CE1 3.89Å; K374-Y403 HydrophobicContact CD-CE1 4.37Å; K374-Y403 HydrophobicContact CG-CE1 4.44Å; K374-Y403 WeakPolarHBondContact O-CD1 3.41Å; K374-P404 VanDerWaalsContact O-CD 3.32Å; K374-P404 WeakPolarHBondContact O-CD 3.33Å
375V90.4Very high85.5Confident0 Ų041.6 Ų41.60%021%0.207CC..EExtended strand (participates in β ladder)trans-108.1129.3-177.6-174.40000108.7A365 P367 P373 I377 V392 I394 P404A365-V375 PolarHBondContact N-O 3.45Å; A365-V375 PolarHBondContact O-N 3.3Å; P367-V375 HydrophobicContact CG-CG2 4.37Å; P373-V375 PolarHBondContact O-N 3.06Å; V375-I377 HydrophobicContact CG1-CG1 4.15Å; V375-V392 HydrophobicContact CG1-CG1 4.02Å; V375-I394 HydrophobicContact CG1-CG1 4.49Å; V375-I394 HydrophobicContact CG2-CD1 4.36Å; V375-I394 HydrophobicContact CG2-CG1 4.16Å; V375-P404 HydrophobicContact CG2-CG 4.2Å
376R88.8Confident85.1Confident46 Ų4644 Ų4417%0.17422%0.218CC..EExtended strand (participates in β ladder)trans-79.4123.7172.9-172.6-173.3-62.7130.4-3.8108.9R362 L364 S401 P404 N405 G406R362-R376 HydrophobicContact CB-CG 4.41Å; L364-R376 HydrophobicContact CD2-CB 4.07Å; L364-R376 HydrophobicContact CD2-CG 4.46Å; R376-S401 PolarHBondContact NH1-OG 3.4Å; R376-S401 PolarHBondContact NH2-OG 2.85Å; R376-P404 PolarHBondContact N-O 3.14Å; R376-N405 PolarHBondContact NH1-OD1 2.91Å; R376-G406 PolarHBondContact O-N 3.4Å
377I86Confident84.8Confident0 Ų047.8 Ų47.80%024%0.238CC..EExtended strand (participates in β ladder)trans-128.7138.9-179.7-51.9-178.1000107.9V345 F347 V363 A365 V375 V392V345-I377 HydrophobicContact CG2-CD1 4.26Å; F347-I377 HydrophobicContact CE1-CD1 4.18Å; V363-I377 PolarHBondContact N-O 2.89Å; V363-I377 PolarHBondContact O-N 3.1Å; A365-I377 HydrophobicContact CB-CD1 3.48Å; A365-I377 VanDerWaalsContact CB-CD1 3.48Å; A365-I377 HydrophobicContact CB-CG1 4.06Å; V375-I377 HydrophobicContact CG1-CG1 4.15Å; I377-V392 HydrophobicContact CD1-CB 4.06Å; I377-V392 HydrophobicContact CD1-CG1 3.6Å; I377-V392 HydrophobicContact CD1-CG2 3.29Å; I377-V392 HydrophobicContact CG1-CG1 4.25Å
378S81.5Confident84.7Confident11 Ų1149.6 Ų49.68%0.07725%0.246CC..EExtended strand (participates in β ladder)trans-107.3120175.8-58.90000108.9Q210 E214Q210-S378 PolarHBondContact OE1-O 2.89Å; E214-S378 WeakPolarHBondContact OE1-CB 3.44Å; E214-S378 PolarHBondContact OE1-OG 2.88Å; E214-S378 PolarHBondContact OE2-OG 2.95Å
379T78.6Confident84.7Confident11 Ų1148.4 Ų48.47%0.06724%0.242CC..EExtended strand (participates in β ladder)trans-148.9153.6-178.7-179.50000110.6F347 Q361 Q381 A382F347-T379 HydrophobicContact CE2-CG2 4.05Å; F347-T379 HydrophobicContact CZ-CG2 3.81Å; Q361-T379 PolarHBondContact N-O 3.46Å; Q361-T379 PolarHBondContact O-N 3.26Å; T379-Q381 PolarHBondContact OG1-N 2.78Å; T379-Q381 VanDerWaalsContact OG1-N 3.14Å; T379-A382 HydrophobicContact CG2-CB 4.06Å
380Q75.6Confident84.8Confident156 Ų15647.9 Ų47.973%0.72924%0.239SC*.SBendtrans-93.6-14.4172.9-60.1-178.114.100112.2
381Q75.1Confident85Confident114 Ų11443.1 Ų43.153%0.53322%0.221SC..  trans-101.821.9-174.8-67.4177-35.300113T379 D383 A384 L385T379-Q381 PolarHBondContact OG1-N 2.78Å; T379-Q381 VanDerWaalsContact OG1-N 3.14Å; Q381-D383 VanDerWaalsContact C-N 3.26Å; Q381-D383 PolarHBondContact O-N 3.08Å; Q381-A384 PolarHBondContact O-N 3.31Å; Q381-L385 HydrophobicContact CB-CD1 3.66Å; Q381-L385 HydrophobicContact CB-CG 4.25Å; Q381-L385 WeakPolarHBondContact O-CB 3.35Å; Q381-L385 WeakPolarHBondContact O-CD1 3.3Å; Q381-L385 WeakPolarHBondContact O-CG 3.45Å; Q381-L385 PolarHBondContact O-N 2.88Å
382A75.6Confident85.1Confident8 Ų840.8 Ų40.87%0.06621%0.212CC..THydrogen-bonded Turntrans-53.6-41.9-175.900000113.1V363 T379 L385 Q386V363-A382 HydrophobicContact CG2-CB 3.73Å; T379-A382 HydrophobicContact CG2-CB 4.06Å; A382-L385 PolarHBondContact O-N 2.84Å; A382-Q386 PolarHBondContact O-N 3.03Å
383D75.2Confident85Confident95 Ų9542.4 Ų42.451%0.50822%0.218SC..THydrogen-bonded Turntrans-70.3-38.1-176.6-63.3-35.7000112.2R350 Q381 L385R350-D383 WeakPolarHBondContact CD-OD1 3.47Å; R350-D383 IonicContact CZ-OD1 2.79Å; R350-D383 IonicContact NE-OD1 3.84Å; R350-D383 IonicContact NH1-OD1 3.45Å; R350-D383 PolarHBondContact NH1-OD1 2.76Å; R350-D383 IonicContact NH1-OD2 2.73Å; R350-D383 PolarHBondContact NH1-OD2 2.88Å; Q381-D383 VanDerWaalsContact C-N 3.26Å; Q381-D383 PolarHBondContact O-N 3.08Å; D383-L385 VanDerWaalsContact C-N 3.28Å; D383-L385 PolarHBondContact O-N 3.31Å
384A79.9Confident85Confident74 Ų7441.8 Ų41.861%0.61221%0.213SC*.THydrogen-bonded Turntrans-71.5-25.3178.400000112.9Q381 H388Q381-A384 PolarHBondContact O-N 3.31Å; A384-H388 PolarHBondContact O-ND1 3.15Å
385L82.3Confident84.6Confident19 Ų1940.3 Ų40.310%0.09921%0.21CC..THydrogen-bonded Turntrans-103.47.8-170.8-64.4170.2000113.2F347 Q381 A382 D383 D387 H388 L390 V411F347-L385 HydrophobicContact CD2-CB 3.83Å; F347-L385 HydrophobicContact CE2-CB 3.69Å; F347-L385 HydrophobicContact CE2-CD1 4.26Å; Q381-L385 HydrophobicContact CB-CD1 3.66Å; Q381-L385 HydrophobicContact CB-CG 4.25Å; Q381-L385 WeakPolarHBondContact O-CB 3.35Å; Q381-L385 WeakPolarHBondContact O-CD1 3.3Å; Q381-L385 WeakPolarHBondContact O-CG 3.45Å; Q381-L385 PolarHBondContact O-N 2.88Å; A382-L385 PolarHBondContact O-N 2.84Å; D383-L385 VanDerWaalsContact C-N 3.28Å; D383-L385 PolarHBondContact O-N 3.31Å; L385-D387 PolarHBondContact O-N 3.43Å; L385-H388 PolarHBondContact O-N 3.2Å; L385-L390 HydrophobicContact CB-CD1 4.37Å; L385-L390 HydrophobicContact CB-CD2 4.13Å; L385-L390 HydrophobicContact CD1-CD2 3.83Å; L385-L390 HydrophobicContact CD2-CD2 4.24Å; L385-L390 HydrophobicContact CG-CD2 4.27Å; L385-V411 HydrophobicContact CD2-CG1 4.06Å; L385-V411 HydrophobicContact CD2-CG2 3.6Å
386Q81.3Confident84.4Confident49 Ų4941.8 Ų41.823%0.22922%0.22CC..THydrogen-bonded Turntrans-58.5-47.5-174-176.4159.159.600113.7T346 P348 A382 H388T346-Q386 VanDerWaalsContact CG2-O 3.28Å; T346-Q386 WeakPolarHBondContact CG2-O 3.4Å; P348-Q386 PolarHBondContact O-NE2 2.78Å; A382-Q386 PolarHBondContact O-N 3.03Å; Q386-H388 VanDerWaalsContact C-N 3.31Å; Q386-H388 PolarHBondContact O-N 3.02Å
387D84.3Confident84.4Confident97 Ų9740.6 Ų40.652%0.51922%0.215SC..THydrogen-bonded Turntrans-92.611.7-179-60.5-41.9000113.2L385 R414 A415L385-D387 PolarHBondContact O-N 3.43Å; D387-R414 CarbonylContact O-C 3.56Å; D387-R414 WeakPolarHBondContact O-CA 3.28Å; D387-A415 PolarHBondContact O-N 3.32Å
388H90Very high84.3Confident42 Ų4242.5 Ų42.519%0.19423%0.227CC..EExtended strand (participates in β ladder)trans-101.3148.3-177.8-67.178.5000111.6A384 L385 Q386 L390 V411 G413A384-H388 PolarHBondContact O-ND1 3.15Å; L385-H388 PolarHBondContact O-N 3.2Å; Q386-H388 VanDerWaalsContact C-N 3.31Å; Q386-H388 PolarHBondContact O-N 3.02Å; H388-L390 WeakPolarHBondContact O-CD1 3.32Å; H388-V411 HydrophobicContact CB-CG1 3.95Å; H388-G413 CarbonylContact C-O 3.56Å; H388-G413 WeakPolarHBondContact CA-O 3.21Å; H388-G413 WeakPolarHBondContact CB-O 3.45Å
389R92.9Very high84.4Confident3 Ų342.6 Ų42.61%0.01123%0.228CC..EExtended strand (participates in β ladder)trans-82.1125.5166.2-60.7-58.6-168.3178.53.1108.6V344 T346 L412 G413 A415 T420 E421 N956 C957 H958V344-R389 HydrophobicContact CG1-CB 3.88Å; V344-R389 HydrophobicContact CG1-CG 4.42Å; T346-R389 WeakPolarHBondContact OG1-CD 3.4Å; T346-R389 PolarHBondContact OG1-NH1 2.89Å; R389-L412 HydrophobicContact CB-CB 4.18Å; R389-L412 HydrophobicContact CB-CD1 4.15Å; R389-L412 WeakPolarHBondContact O-CB 3.3Å; R389-L412 PolarHBondContact O-N 3.23Å; R389-G413 PolarHBondContact N-O 2.9Å; R389-A415 HydrophobicContact CG-CB 4.36Å; R389-T420 HydrophobicContact CB-CG2 3.74Å; R389-T420 HydrophobicContact CG-CG2 3.49Å; R389-T420 VanDerWaalsContact CG-CG2 3.49Å; R389-E421 IonicContact CZ-OE1 3.88Å; R389-E421 IonicContact NE-OE1 2.72Å; R389-E421 PolarHBondContact NE-OE1 3.41Å; R389-E421 IonicContact NH2-OE1 3.9Å; R389-E421 PolarHBondContact NH2-OE1 2.96Å; R389-E421 IonicContact NH2-OE2 3.87Å; R389-N956 PolarHBondContact NH1-O 3.03Å; R389-C957 VanDerWaalsContact NH1-C 3.25Å; R389-C957 PolarHBondContact NH1-O 3.5Å; R389-H958 PolarHBondContact NH2-O 2.94Å; R389-H958 VanDerWaalsContact NH2-O 3.11Å
390L92Very high84.6Confident2 Ų244 Ų441%0.0124%0.237CC..EExtended strand (participates in β ladder)trans-118.6143.6179.8-58.7107.6000110.7V344 V345 F347 L385 H388 V411V344-L390 CarbonylContact C-O 3.52Å; V344-L390 VanDerWaalsContact CA-O 3.28Å; V344-L390 WeakPolarHBondContact CA-O 2.8Å; V345-L390 HydrophobicContact CG2-CB 4.06Å; V345-L390 PolarHBondContact N-O 3.32Å; V345-L390 PolarHBondContact O-N 3.34Å; F347-L390 HydrophobicContact CD2-CD1 4.12Å; F347-L390 HydrophobicContact CE2-CD1 3.99Å; F347-L390 HydrophobicContact CE2-CD2 4.19Å; F347-L390 HydrophobicContact CZ-CD1 4.27Å; F347-L390 HydrophobicContact CZ-CD2 4.34Å; L385-L390 HydrophobicContact CB-CD1 4.37Å; L385-L390 HydrophobicContact CB-CD2 4.13Å; L385-L390 HydrophobicContact CD1-CD2 3.83Å; L385-L390 HydrophobicContact CD2-CD2 4.24Å; L385-L390 HydrophobicContact CG-CD2 4.27Å; H388-L390 WeakPolarHBondContact O-CD1 3.32Å; L390-V411 HydrophobicContact CD2-CG2 4.01Å
391V92.6Very high85Confident1 Ų136.7 Ų36.71%0.00620%0.203CC..EExtended strand (participates in β ladder)trans-91.1130.7170.8-176.50000109.3D342 Y343 V409 R410 L412 I427D342-V391 HydrophobicContact CB-CG1 3.73Å; Y343-V391 CarbonylContact O-C 3.52Å; Y343-V391 WeakPolarHBondContact O-CA 3.27Å; V391-V409 HydrophobicContact CB-CB 4.43Å; V391-V409 HydrophobicContact CG1-CB 4.3Å; V391-V409 PolarHBondContact O-N 3.23Å; V391-R410 HydrophobicContact CB-CG 3.89Å; V391-R410 HydrophobicContact CG2-CG 3.78Å; V391-R410 PolarHBondContact N-O 3.23Å; V391-L412 HydrophobicContact CG2-CD1 4.03Å; V391-L412 HydrophobicContact CG2-CD2 3.76Å; V391-L412 HydrophobicContact CG2-CG 3.92Å; V391-I427 HydrophobicContact CG1-CG2 4.46Å; V391-I427 HydrophobicContact CG2-CD1 3.9Å; V391-I427 HydrophobicContact CG2-CG2 4.4Å
392V91.4Very high85.5Confident0 Ų035.1 Ų35.10%020%0.198CC..EExtended strand (participates in β ladder)trans-133.6145.1-175.4170.10000110.5Y343 V345 V375 I377 H407Y343-V392 PolarHBondContact N-O 2.77Å; Y343-V392 PolarHBondContact O-N 2.94Å; V345-V392 HydrophobicContact CB-CG2 4.48Å; V345-V392 HydrophobicContact CG1-CB 4.06Å; V345-V392 HydrophobicContact CG1-CG2 4.18Å; V345-V392 HydrophobicContact CG2-CB 4.23Å; V345-V392 HydrophobicContact CG2-CG2 3.43Å; V345-V392 VanDerWaalsContact CG2-CG2 3.43Å; V375-V392 HydrophobicContact CG1-CG1 4.02Å; I377-V392 HydrophobicContact CD1-CB 4.06Å; I377-V392 HydrophobicContact CD1-CG1 3.6Å; I377-V392 HydrophobicContact CD1-CG2 3.29Å; I377-V392 HydrophobicContact CG1-CG1 4.25Å; V392-H407 WeakPolarHBondContact CA-O 3.39Å; V392-H407 WeakPolarHBondContact CG1-O 3.25Å
393R89.9Confident86Confident43 Ų4337.8 Ų37.816%0.16221%0.207CC..EExtended strand (participates in β ladder)trans-113.4138.5172.5-74.2173.7-179.11576.7110.1R100 D342 G406 H407 V409R100-R393 VanDerWaalsContact NH2-NH1 3.17Å; D342-R393 VanDerWaalsContact OD1-CG 3.31Å; D342-R393 WeakPolarHBondContact OD1-CG 3.28Å; D342-R393 IonicContact OD1-CZ 3.12Å; D342-R393 IonicContact OD1-NE 2.79Å; D342-R393 PolarHBondContact OD1-NE 3.47Å; D342-R393 IonicContact OD1-NH2 3.95Å; D342-R393 PolarHBondContact OD1-NH2 3.09Å; D342-R393 IonicContact OD2-CZ 3.14Å; D342-R393 IonicContact OD2-NE 3.76Å; D342-R393 IonicContact OD2-NH2 2.96Å; D342-R393 PolarHBondContact OD2-NH2 3.17Å; R393-G406 CarbonylContact O-C 3.5Å; R393-G406 WeakPolarHBondContact O-CA 3.13Å; R393-H407 PolarHBondContact N-O 2.76Å; R393-H407 PolarHBondContact O-N 3.14Å; R393-H407 VanDerWaalsContact O-N 3.09Å; R393-V409 HydrophobicContact CB-CG2 4.32Å; R393-V409 HydrophobicContact CG-CG2 3.76Å
394I89.8Confident86.8Confident11 Ų1133.3 Ų33.36%0.05618%0.182CC..EExtended strand (participates in β ladder)trans-82.4125.5173.1-62.4175.6000108.3W340 Y343 V375 P404W340-I394 HydrophobicContact CD2-CB 4.11Å; W340-I394 HydrophobicContact CD2-CG2 3.99Å; W340-I394 HydrophobicContact CE3-CB 4.17Å; W340-I394 HydrophobicContact CE3-CG2 4.01Å; W340-I394 HydrophobicContact CG-CB 4.46Å; W340-I394 HydrophobicContact CH2-CG2 3.91Å; W340-I394 HydrophobicContact CZ2-CG2 3.87Å; W340-I394 HydrophobicContact CZ3-CG2 3.98Å; W340-I394 WeakPolarHBondContact CZ3-O 3.43Å; Y343-I394 HydrophobicContact CD2-CD1 4.02Å; Y343-I394 HydrophobicContact CD2-CG1 4.04Å; Y343-I394 HydrophobicContact CE2-CD1 3.51Å; Y343-I394 HydrophobicContact CE2-CG1 3.86Å; V375-I394 HydrophobicContact CG1-CG1 4.49Å; V375-I394 HydrophobicContact CG2-CD1 4.36Å; V375-I394 HydrophobicContact CG2-CG1 4.16Å; I394-P404 HydrophobicContact CD1-CG 4.38Å; I394-P404 HydrophobicContact CG2-CB 3.79Å
395D84.4Confident87.2Confident65 Ų6531 Ų3135%0.34816%0.16SC..EExtended strand (participates in β ladder)trans-94.5-47.6-179-63.7-43000111.7W340 N405 G406 H407W340-D395 WeakPolarHBondContact CZ3-O 3.44Å; D395-N405 PolarHBondContact N-O 3.3Å; D395-G406 WeakPolarHBondContact OD2-CA 3.13Å; D395-H407 IonicContact OD1-CE1 3.48Å; D395-H407 PolarHBondContact OD1-CE1 2.92Å; D395-H407 IonicContact OD1-ND1 3.54Å; D395-H407 PolarHBondContact OD1-ND1 3.48Å; D395-H407 IonicContact OD2-CG 3.23Å; D395-H407 PolarHBondContact OD2-N 2.77Å; D395-H407 IonicContact OD2-ND1 3.04Å; D395-H407 PolarHBondContact OD2-ND1 3.08Å
396S84.4Confident87.5Confident30 Ų3030.2 Ų30.221%0.2116%0.157CC..EExtended strand (participates in β ladder)trans-158.9157.6-176.8650000111.8N405S396-N405 PolarHBondContact N-O 3.27Å; S396-N405 PolarHBondContact O-N 3.4Å
397W89Confident87.7Confident22 Ų2228 Ų288%0.08315%0.146CC..  trans-13293.8170.1-163.1-19.4000108.7F224 R286 V288 P373 S401 L402 P404F224-W397 HydrophobicContact CE2-CZ2 4.21Å; F224-W397 AromaticContact CE2-NE1 3.74Å; F224-W397 HydrophobicContact CZ-CZ2 4.19Å; R286-W397 HydrophobicContact CB-CB 4.43Å; R286-W397 HydrophobicContact CB-CD2 3.85Å; R286-W397 HydrophobicContact CB-CE3 4.07Å; R286-W397 HydrophobicContact CB-CG 4Å; R286-W397 VanDerWaalsContact CD-O 3.27Å; R286-W397 WeakPolarHBondContact CD-O 3.5Å; R286-W397 HydrophobicContact CG-CD2 4.08Å; R286-W397 HydrophobicContact CG-CG 4.02Å; R286-W397 PolarHBondContact NE-O 3.31Å; V288-W397 HydrophobicContact CG2-CE3 4.38Å; V288-W397 HydrophobicContact CG2-CZ3 4.04Å; P373-W397 HydrophobicContact CB-CH2 3.96Å; P373-W397 HydrophobicContact CB-CZ3 4.47Å; P373-W397 HydrophobicContact CG-CH2 3.55Å; P373-W397 HydrophobicContact CG-CZ3 3.58Å; W397-S401 PolarHBondContact NE1-O 3.3Å; W397-L402 VanDerWaalsContact CZ2-O 3.25Å; W397-L402 WeakPolarHBondContact CZ2-O 3.29Å; W397-P404 HydrophobicContact CB-CB 4.14Å; W397-P404 HydrophobicContact CD2-CB 3.9Å; W397-P404 HydrophobicContact CD2-CG 4.29Å; W397-P404 HydrophobicContact CE3-CB 3.95Å; W397-P404 HydrophobicContact CE3-CG 4.12Å; W397-P404 HydrophobicContact CG-CB 4.02Å; W397-P404 HydrophobicContact CZ3-CG 4.38Å
398P84.4Confident87.8Confident39 Ų3924.6 Ų24.625%0.25313%0.13SC..  trans-70.5153.5-179.427.7-31.5000110.9T400 S401P398-T400 PolarHBondContact O-N 3.2Å; P398-S401 PolarHBondContact O-N 2.97Å
399S84.3Confident87.6Confident14 Ų1423.7 Ų23.710%0.09813%0.128CC..THydrogen-bonded Turntrans-66.9-18179.755.30000113.6E223 F224 E226E223-S399 PolarHBondContact N-O 2.96Å; F224-S399 PolarHBondContact N-O 2.9Å; E226-S399 VanDerWaalsContact OE1-CB 3.26Å; E226-S399 WeakPolarHBondContact OE1-CB 3.49Å; E226-S399 PolarHBondContact OE1-OG 3.44Å
400T83.2Confident87.3Confident39 Ų3928.7 Ų28.724%0.23915%0.146CC..THydrogen-bonded Turntrans-80.3-1717654.50000113.7D218 Q221 E223 P398D218-T400 PolarHBondContact OD2-OG1 2.96Å; Q221-T400 WeakPolarHBondContact O-CA 3.12Å; E223-T400 WeakPolarHBondContact CG-O 3.41Å; P398-T400 PolarHBondContact O-N 3.2Å
401S83.3Confident87.2Confident3 Ų331.9 Ų31.92%0.02117%0.166CC..  trans-110.3134.2-171.8-177.10000112.5F224 R376 W397 P398 Y403F224-S401 VanDerWaalsContact CE2-O 3.3Å; F224-S401 WeakPolarHBondContact CE2-O 3.29Å; R376-S401 PolarHBondContact NH1-OG 3.4Å; R376-S401 PolarHBondContact NH2-OG 2.85Å; W397-S401 PolarHBondContact NE1-O 3.3Å; P398-S401 PolarHBondContact O-N 2.97Å; S401-Y403 VanDerWaalsContact C-N 3.26Å; S401-Y403 WeakPolarHBondContact CB-O 3.46Å; S401-Y403 PolarHBondContact O-N 3.41Å; S401-Y403 PolarHBondContact OG-N 3.14Å; S401-Y403 PolarHBondContact OG-O 2.81Å
402L84.6Confident87Confident81 Ų8133 Ų3342%0.42417%0.172SC..SBendtrans-64.1-30.7171.5-172.864.5000112.7F224 W397F224-L402 HydrophobicContact CZ-CD1 4.34Å; W397-L402 VanDerWaalsContact CZ2-O 3.25Å; W397-L402 WeakPolarHBondContact CZ2-O 3.29Å
403Y87.7Confident87Confident65 Ų6533.7 Ų33.726%0.25518%0.178SC..SBendtrans-118.7146.9-176-58.8-69.8000111.8L364 K374 S401L364-Y403 HydrophobicContact CD1-CD2 4.14Å; L364-Y403 HydrophobicContact CD1-CE2 3.77Å; L364-Y403 HydrophobicContact CD2-CD2 3.6Å; L364-Y403 HydrophobicContact CD2-CE2 4.1Å; L364-Y403 HydrophobicContact CD2-CG 3.89Å; K374-Y403 HydrophobicContact CB-CD1 3.85Å; K374-Y403 HydrophobicContact CB-CE1 3.89Å; K374-Y403 HydrophobicContact CD-CE1 4.37Å; K374-Y403 HydrophobicContact CG-CE1 4.44Å; K374-Y403 WeakPolarHBondContact O-CD1 3.41Å; S401-Y403 VanDerWaalsContact C-N 3.26Å; S401-Y403 WeakPolarHBondContact CB-O 3.46Å; S401-Y403 PolarHBondContact O-N 3.41Å; S401-Y403 PolarHBondContact OG-N 3.14Å; S401-Y403 PolarHBondContact OG-O 2.81Å
404P91.2Very high87Confident0 Ų038.9 Ų38.90%020%0.198CC..  trans-64.8148.9169.527.7-35.1000111.6P373 K374 V375 R376 I394 W397P373-P404 HydrophobicContact CG-CG 4.2Å; K374-P404 VanDerWaalsContact O-CD 3.32Å; K374-P404 WeakPolarHBondContact O-CD 3.33Å; V375-P404 HydrophobicContact CG2-CG 4.2Å; R376-P404 PolarHBondContact N-O 3.14Å; I394-P404 HydrophobicContact CD1-CG 4.38Å; I394-P404 HydrophobicContact CG2-CB 3.79Å; W397-P404 HydrophobicContact CB-CB 4.14Å; W397-P404 HydrophobicContact CD2-CB 3.9Å; W397-P404 HydrophobicContact CD2-CG 4.29Å; W397-P404 HydrophobicContact CE3-CB 3.95Å; W397-P404 HydrophobicContact CE3-CG 4.12Å; W397-P404 HydrophobicContact CG-CB 4.02Å; W397-P404 HydrophobicContact CZ3-CG 4.38Å
405N87.9Confident86.8Confident25 Ų2540 Ų4013%0.13421%0.209CC..EExtended strand (participates in β ladder)trans-91.5141.1168.8-63.3-27000109.1R376 D395 S396R376-N405 PolarHBondContact NH1-OD1 2.91Å; D395-N405 PolarHBondContact N-O 3.3Å; S396-N405 PolarHBondContact N-O 3.27Å; S396-N405 PolarHBondContact O-N 3.4Å
406G88.9Confident86.8Confident4 Ų438.9 Ų38.94%0.04121%0.213CC..EExtended strand (participates in β ladder)trans-153.3171.9176.200000112.6R376 R393 D395R376-G406 PolarHBondContact O-N 3.4Å; R393-G406 CarbonylContact O-C 3.5Å; R393-G406 WeakPolarHBondContact O-CA 3.13Å; D395-G406 WeakPolarHBondContact OD2-CA 3.13Å
407H85.3Confident87Confident2 Ų242 Ų421%0.00922%0.224CC..EExtended strand (participates in β ladder)trans-124.3153.4179.167.6-90.1000111.3S207 A211 V392 R393 D395S207-H407 WeakPolarHBondContact OG-CB 3.39Å; A211-H407 HydrophobicContact CB-CB 4.28Å; V392-H407 WeakPolarHBondContact CA-O 3.39Å; V392-H407 WeakPolarHBondContact CG1-O 3.25Å; R393-H407 PolarHBondContact N-O 2.76Å; R393-H407 PolarHBondContact O-N 3.14Å; R393-H407 VanDerWaalsContact O-N 3.09Å; D395-H407 IonicContact OD1-CE1 3.48Å; D395-H407 PolarHBondContact OD1-CE1 2.92Å; D395-H407 IonicContact OD1-ND1 3.54Å; D395-H407 PolarHBondContact OD1-ND1 3.48Å; D395-H407 IonicContact OD2-CG 3.23Å; D395-H407 PolarHBondContact OD2-N 2.77Å; D395-H407 IonicContact OD2-ND1 3.04Å; D395-H407 PolarHBondContact OD2-ND1 3.08Å
408S87.3Confident87Confident25 Ų2543.4 Ų43.418%0.17523%0.233CC..EExtended strand (participates in β ladder)trans-82.3133.6176.455.80000110.6S207S207-S408 PolarHBondContact OG-N 3.24Å; S207-S408 PolarHBondContact OG-O 2.7Å; S207-S408 PolarHBondContact OG-OG 3.4Å; S207-S408 VanDerWaalsContact OG-OG 3.05Å
409V84.2Confident87.2Confident24 Ų2445.3 Ų45.315%0.14524%0.238CC..EExtended strand (participates in β ladder)trans-98.6-50-179.4-178.30000111.3L204 V391 R393L204-V409 HydrophobicContact CD1-CB 4.49Å; L204-V409 HydrophobicContact CD1-CG1 4.33Å; L204-V409 HydrophobicContact CD1-CG2 4.48Å; V391-V409 HydrophobicContact CB-CB 4.43Å; V391-V409 HydrophobicContact CG1-CB 4.3Å; V391-V409 PolarHBondContact O-N 3.23Å; R393-V409 HydrophobicContact CB-CG2 4.32Å; R393-V409 HydrophobicContact CG-CG2 3.76Å
410R86.6Confident87.6Confident107 Ų10744.9 Ų44.940%0.40424%0.235SC..EExtended strand (participates in β ladder)trans-159157.5179.964.4178.6-178.4125.6-2.6112.4V391 L412V391-R410 HydrophobicContact CB-CG 3.89Å; V391-R410 HydrophobicContact CG2-CG 3.78Å; V391-R410 PolarHBondContact N-O 3.23Å; R410-L412 HydrophobicContact CG-CD2 4.48Å; R410-L412 VanDerWaalsContact CZ-CD2 3.47Å
411V90.1Very high88Confident70 Ų7043.7 Ų43.742%0.42423%0.227SC..EExtended strand (participates in β ladder)trans-94136.7171.9-172.70000108.8L385 H388 L390L385-V411 HydrophobicContact CD2-CG1 4.06Å; L385-V411 HydrophobicContact CD2-CG2 3.6Å; H388-V411 HydrophobicContact CB-CG1 3.95Å; L390-V411 HydrophobicContact CD2-CG2 4.01Å
412L89.6Confident88.4Confident25 Ų2543.7 Ų43.713%0.13123%0.227CC..EExtended strand (participates in β ladder)trans-94-51.2178.8-59178000112V344 R389 V391 R410 T420 I427V344-L412 HydrophobicContact CG1-CD1 4.17Å; V344-L412 HydrophobicContact CG2-CD1 4.11Å; R389-L412 HydrophobicContact CB-CB 4.18Å; R389-L412 HydrophobicContact CB-CD1 4.15Å; R389-L412 WeakPolarHBondContact O-CB 3.3Å; R389-L412 PolarHBondContact O-N 3.23Å; V391-L412 HydrophobicContact CG2-CD1 4.03Å; V391-L412 HydrophobicContact CG2-CD2 3.76Å; V391-L412 HydrophobicContact CG2-CG 3.92Å; R410-L412 HydrophobicContact CG-CD2 4.48Å; R410-L412 VanDerWaalsContact CZ-CD2 3.47Å; L412-T420 HydrophobicContact CB-CG2 4.15Å; L412-I427 HydrophobicContact CD1-CD1 3.55Å; L412-I427 HydrophobicContact CD2-CD1 3.52Å; L412-I427 HydrophobicContact CG-CD1 4.18Å
413G90.3Very high88.7Confident13 Ų1343 Ų4313%0.13422%0.221CC..EExtended strand (participates in β ladder)trans160.4-172.5-173.500000111H388 R389 T420H388-G413 CarbonylContact C-O 3.56Å; H388-G413 WeakPolarHBondContact CA-O 3.21Å; H388-G413 WeakPolarHBondContact CB-O 3.45Å; R389-G413 PolarHBondContact N-O 2.9Å; G413-T420 WeakPolarHBondContact CA-OG1 3.14Å
414R90Very high89Confident153 Ų15339.9 Ų39.958%0.57721%0.209SC*.EExtended strand (participates in β ladder)trans-76.6140.8-179.1-69.2-178.9174.6-160.8-1.2111.3D387 E417 T420D387-R414 CarbonylContact O-C 3.56Å; D387-R414 WeakPolarHBondContact O-CA 3.28Å; R414-E417 HydrophobicContact CB-CG 4.22Å; R414-E417 PolarHBondContact N-OE2 2.93Å; R414-E417 PolarHBondContact O-N 3.5Å; R414-T420 VanDerWaalsContact O-CB 3.32Å; R414-T420 WeakPolarHBondContact O-CB 3.27Å; R414-T420 WeakPolarHBondContact O-CG2 3.45Å; R414-T420 PolarHBondContact O-OG1 2.92Å
415A87.3Confident89.1Confident35 Ų3540.2 Ų40.229%0.28921%0.211SC..THydrogen-bonded Turntrans-61.5136.3175.400000110.5D387 R389D387-A415 PolarHBondContact O-N 3.32Å; R389-A415 HydrophobicContact CG-CB 4.36Å
416G83.8Confident89.4Confident41 Ų4139.6 Ų39.642%0.42321%0.208SC..THydrogen-bonded Turntrans90.5-12.9-17800000115.8E421G416-E421 PolarHBondContact N-OE1 3.47Å; G416-E421 VanDerWaalsContact N-OE1 3.17Å
417E88.6Confident89.6Confident96 Ų9640.3 Ų40.345%0.44921%0.21SC..  trans-71.4136.4169.1-71174.8171.200110.6R414 E419 T420 E421R414-E417 HydrophobicContact CB-CG 4.22Å; R414-E417 PolarHBondContact N-OE2 2.93Å; R414-E417 PolarHBondContact O-N 3.5Å; E417-E419 PolarHBondContact O-N 3.2Å; E417-T420 PolarHBondContact O-N 3.14Å; E417-T420 VanDerWaalsContact O-N 3.13Å; E417-T420 PolarHBondContact OE2-OG1 3.39Å; E417-E421 PolarHBondContact O-N 3.12Å
418L87.8Confident89.9Confident50 Ų5040.6 Ų40.626%0.26221%0.212SC..Hα-helixtrans-55.3-49.2-176.4176.862.9000112.3T420 E421 V422 L853 F854 L857L418-T420 VanDerWaalsContact C-N 3.32Å; L418-T420 PolarHBondContact O-N 3.41Å; L418-E421 PolarHBondContact O-N 3.49Å; L418-V422 HydrophobicContact CD1-CG2 4.07Å; L418-V422 HydrophobicContact CG-CG2 4.49Å; L418-V422 WeakPolarHBondContact O-CB 3.48Å; L418-V422 VanDerWaalsContact O-CG2 3.28Å; L418-V422 WeakPolarHBondContact O-CG2 3.28Å; L418-V422 PolarHBondContact O-N 3.11Å; L418-L853 HydrophobicContact CD1-CD2 4.25Å; L418-F854 HydrophobicContact CD1-CE2 3.94Å; L418-F854 HydrophobicContact CD1-CZ 3.86Å; L418-F854 HydrophobicContact CD2-CZ 4.44Å; L418-L857 HydrophobicContact CD1-CD1 3.76Å
419E89.7Confident90.1Very high80 Ų8040 Ų4037%0.37421%0.206SC..Hα-helixtrans-61.4-40.9179.2-67.2-58.9147.500112E417 V422 Q423 R533E417-E419 PolarHBondContact O-N 3.2Å; E419-V422 PolarHBondContact O-N 3Å; E419-Q423 WeakPolarHBondContact O-CB 3.2Å; E419-Q423 VanDerWaalsContact O-CG 3.31Å; E419-Q423 WeakPolarHBondContact O-CG 3.34Å; E419-Q423 PolarHBondContact O-N 3.01Å; E419-R533 IonicContact OE1-CZ 3.81Å; E419-R533 IonicContact OE1-NH1 3.42Å; E419-R533 PolarHBondContact OE1-NH1 2.85Å; E419-R533 IonicContact OE1-NH2 2.76Å; E419-R533 PolarHBondContact OE1-NH2 2.79Å; E419-R533 IonicContact OE2-CZ 3.47Å; E419-R533 IonicContact OE2-NH1 3.54Å; E419-R533 PolarHBondContact OE2-NH1 3.05Å; E419-R533 IonicContact OE2-NH2 3.63Å
420T91.8Very high90.4Very high5 Ų542 Ų423%0.03122%0.221CC..Hα-helixtrans-66.5-42.5179.8-58.70000111.5R389 L412 G413 R414 E417 L418 T424R389-T420 HydrophobicContact CB-CG2 3.74Å; R389-T420 HydrophobicContact CG-CG2 3.49Å; R389-T420 VanDerWaalsContact CG-CG2 3.49Å; L412-T420 HydrophobicContact CB-CG2 4.15Å; G413-T420 WeakPolarHBondContact CA-OG1 3.14Å; R414-T420 VanDerWaalsContact O-CB 3.32Å; R414-T420 WeakPolarHBondContact O-CB 3.27Å; R414-T420 WeakPolarHBondContact O-CG2 3.45Å; R414-T420 PolarHBondContact O-OG1 2.92Å; E417-T420 PolarHBondContact O-N 3.14Å; E417-T420 VanDerWaalsContact O-N 3.13Å; E417-T420 PolarHBondContact OE2-OG1 3.39Å; L418-T420 VanDerWaalsContact C-N 3.32Å; L418-T420 PolarHBondContact O-N 3.41Å; T420-T424 WeakPolarHBondContact O-CB 3.28Å; T420-T424 PolarHBondContact O-N 3.34Å; T420-T424 PolarHBondContact O-OG1 3.35Å
421E91.8Very high90.7Very high14 Ų1437.2 Ų37.27%0.06520%0.203CC..Hα-helixtrans-70.9-37.1177.8-66.2-60.8149.400111.6R389 G416 E417 L418 T424 V425 L853R389-E421 IonicContact CZ-OE1 3.88Å; R389-E421 IonicContact NE-OE1 2.72Å; R389-E421 PolarHBondContact NE-OE1 3.41Å; R389-E421 IonicContact NH2-OE1 3.9Å; R389-E421 PolarHBondContact NH2-OE1 2.96Å; R389-E421 IonicContact NH2-OE2 3.87Å; G416-E421 PolarHBondContact N-OE1 3.47Å; G416-E421 VanDerWaalsContact N-OE1 3.17Å; E417-E421 PolarHBondContact O-N 3.12Å; L418-E421 PolarHBondContact O-N 3.49Å; E421-T424 WeakPolarHBondContact O-CB 3.37Å; E421-T424 PolarHBondContact O-N 3.41Å; E421-V425 WeakPolarHBondContact O-CG2 3.38Å; E421-V425 PolarHBondContact O-N 3.18Å; E421-L853 HydrophobicContact CB-CD1 4.15Å; E421-L853 HydrophobicContact CB-CD2 3.83Å
422V92.1Very high90.4Very high2 Ų240.2 Ų40.21%0.01221%0.212CC..Hα-helixtrans-62-47.5172.6167.80000111.1L418 E419 T424 V425 L426 L530 L853L418-V422 HydrophobicContact CD1-CG2 4.07Å; L418-V422 HydrophobicContact CG-CG2 4.49Å; L418-V422 WeakPolarHBondContact O-CB 3.48Å; L418-V422 VanDerWaalsContact O-CG2 3.28Å; L418-V422 WeakPolarHBondContact O-CG2 3.28Å; L418-V422 PolarHBondContact O-N 3.11Å; E419-V422 PolarHBondContact O-N 3Å; V422-T424 VanDerWaalsContact C-N 3.27Å; V422-T424 PolarHBondContact O-N 2.9Å; V422-V425 PolarHBondContact O-N 2.8Å; V422-L426 WeakPolarHBondContact O-CG 3.4Å; V422-L426 PolarHBondContact O-N 3.04Å; V422-L426 VanDerWaalsContact O-N 3.12Å; V422-L530 HydrophobicContact CG1-CD1 3.6Å; V422-L853 HydrophobicContact CG2-CD2 4.27Å
423Q91.9Very high90Very high67 Ų6740.2 Ų40.231%0.31321%0.213SC..Hα-helixtrans-60.6-38.5174.7-73.4-175.413.200111.9E419 L426 I427E419-Q423 WeakPolarHBondContact O-CB 3.2Å; E419-Q423 VanDerWaalsContact O-CG 3.31Å; E419-Q423 WeakPolarHBondContact O-CG 3.34Å; E419-Q423 PolarHBondContact O-N 3.01Å; Q423-L426 PolarHBondContact O-N 2.97Å; Q423-I427 WeakPolarHBondContact O-CD1 3.46Å; Q423-I427 VanDerWaalsContact O-CG1 3.26Å; Q423-I427 WeakPolarHBondContact O-CG1 3.42Å; Q423-I427 PolarHBondContact O-N 2.75Å
424T93.4Very high89.6Confident0 Ų041.2 Ų41.20%022%0.217CC..Hα-helixtrans-59.1-46.9175.5-63.70000111.2V344 W368 T420 E421 V422 L426 I427 E428V344-T424 HydrophobicContact CB-CG2 3.9Å; V344-T424 HydrophobicContact CG1-CG2 3.75Å; V344-T424 HydrophobicContact CG2-CG2 4.02Å; W368-T424 HydrophobicContact CB-CG2 4.42Å; W368-T424 HydrophobicContact CD2-CG2 3.97Å; W368-T424 HydrophobicContact CG-CG2 3.78Å; T420-T424 WeakPolarHBondContact O-CB 3.28Å; T420-T424 PolarHBondContact O-N 3.34Å; T420-T424 PolarHBondContact O-OG1 3.35Å; E421-T424 WeakPolarHBondContact O-CB 3.37Å; E421-T424 PolarHBondContact O-N 3.41Å; V422-T424 VanDerWaalsContact C-N 3.27Å; V422-T424 PolarHBondContact O-N 2.9Å; T424-L426 VanDerWaalsContact C-N 3.33Å; T424-L426 PolarHBondContact O-N 3.41Å; T424-I427 PolarHBondContact O-N 2.53Å; T424-E428 HydrophobicContact CG2-CG 4.28Å; T424-E428 VanDerWaalsContact O-CB 3.31Å; T424-E428 WeakPolarHBondContact O-CB 3.36Å; T424-E428 VanDerWaalsContact O-CG 3.32Å; T424-E428 WeakPolarHBondContact O-CG 3.46Å; T424-E428 PolarHBondContact O-N 3.24Å
425V93.6Very high89.4Confident6 Ų639.7 Ų39.74%0.03623%0.227CC..Hα-helixtrans-59.3-41.4176.7170.10000112E421 V422 N429 A846 L849E421-V425 WeakPolarHBondContact O-CG2 3.38Å; E421-V425 PolarHBondContact O-N 3.18Å; V422-V425 PolarHBondContact O-N 2.8Å; V425-N429 PolarHBondContact O-N 3.09Å; V425-N429 PolarHBondContact O-ND2 2.81Å; V425-A846 HydrophobicContact CG1-CB 4Å; V425-L849 HydrophobicContact CG1-CB 3.82Å; V425-L849 HydrophobicContact CG1-CD1 4.27Å; V425-L849 HydrophobicContact CG2-CB 4.09Å
426L93.4Very high89.4Confident13 Ų1340.1 Ų40.17%0.06822%0.223CC..Hα-helixtrans-65.2-50.2178.7-65.4174.2000111.6V422 Q423 T424 E428 N429 C430 I431 L530 Y535V422-L426 WeakPolarHBondContact O-CG 3.4Å; V422-L426 PolarHBondContact O-N 3.04Å; V422-L426 VanDerWaalsContact O-N 3.12Å; Q423-L426 PolarHBondContact O-N 2.97Å; T424-L426 VanDerWaalsContact C-N 3.33Å; T424-L426 PolarHBondContact O-N 3.41Å; L426-E428 PolarHBondContact O-N 3.16Å; L426-N429 CarbonylContact O-C 3.55Å; L426-N429 PolarHBondContact O-N 3.01Å; L426-N429 VanDerWaalsContact O-N 3.15Å; L426-C430 PolarHBondContact O-N 2.82Å; L426-I431 HydrophobicContact CB-CB 4.3Å; L426-I431 HydrophobicContact CD2-CB 4.2Å; L426-I431 HydrophobicContact CD2-CD1 4.3Å; L426-I431 HydrophobicContact CD2-CG2 3.86Å; L426-I431 WeakPolarHBondContact O-CB 2.98Å; L426-I431 PolarHBondContact O-N 2.86Å; L426-L530 HydrophobicContact CD2-CD1 4.33Å; L426-Y535 HydrophobicContact CD1-CE2 3.76Å; L426-Y535 HydrophobicContact CD2-CE2 4.4Å
427I92.8Very high89.3Confident18 Ų1840.3 Ų40.39%0.09222%0.218CC..Hα-helixtrans-64.6-43-177.4-64159000110.9D342 V344 V391 L412 Q423 T424 N429 C430D342-I427 HydrophobicContact CB-CG2 4.08Å; V344-I427 HydrophobicContact CG2-CB 4.08Å; V344-I427 HydrophobicContact CG2-CD1 4.45Å; V344-I427 HydrophobicContact CG2-CG2 3.89Å; V391-I427 HydrophobicContact CG1-CG2 4.46Å; V391-I427 HydrophobicContact CG2-CD1 3.9Å; V391-I427 HydrophobicContact CG2-CG2 4.4Å; L412-I427 HydrophobicContact CD1-CD1 3.55Å; L412-I427 HydrophobicContact CD2-CD1 3.52Å; L412-I427 HydrophobicContact CG-CD1 4.18Å; Q423-I427 WeakPolarHBondContact O-CD1 3.46Å; Q423-I427 VanDerWaalsContact O-CG1 3.26Å; Q423-I427 WeakPolarHBondContact O-CG1 3.42Å; Q423-I427 PolarHBondContact O-N 2.75Å; T424-I427 PolarHBondContact O-N 2.53Å; I427-N429 PolarHBondContact O-N 3.02Å; I427-N429 VanDerWaalsContact O-N 3.17Å; I427-C430 PolarHBondContact O-N 2.9Å
428E91.7Very high88.9Confident9 Ų942.1 Ų42.14%0.04223%0.226CC..Hα-helixtrans-61.2-25177.7-78.5-66.9145.700113R341 V344 W368 T424 L426R341-E428 IonicContact CZ-OE2 2.76Å; R341-E428 PolarHBondContact NH1-O 3.39Å; R341-E428 IonicContact NH1-OE1 3.05Å; R341-E428 IonicContact NH1-OE2 3.69Å; R341-E428 PolarHBondContact NH1-OE2 3.4Å; R341-E428 PolarHBondContact NH2-O 2.99Å; R341-E428 IonicContact NH2-OE2 2.67Å; R341-E428 PolarHBondContact NH2-OE2 2.82Å; V344-E428 HydrophobicContact CB-CG 4.38Å; V344-E428 HydrophobicContact CG2-CG 4.19Å; V344-E428 PolarHBondContact N-OE1 3.2Å; W368-E428 HydrophobicContact CD2-CG 4.3Å; W368-E428 HydrophobicContact CE3-CB 4.45Å; W368-E428 HydrophobicContact CE3-CG 3.72Å; W368-E428 HydrophobicContact CZ3-CB 4.4Å; W368-E428 HydrophobicContact CZ3-CG 4.16Å; T424-E428 HydrophobicContact CG2-CG 4.28Å; T424-E428 VanDerWaalsContact O-CB 3.31Å; T424-E428 WeakPolarHBondContact O-CB 3.36Å; T424-E428 VanDerWaalsContact O-CG 3.32Å; T424-E428 WeakPolarHBondContact O-CG 3.46Å; T424-E428 PolarHBondContact O-N 3.24Å; L426-E428 PolarHBondContact O-N 3.16Å
429N92.1Very high88.3Confident12 Ų1242 Ų426%0.06423%0.233CC..THydrogen-bonded Turntrans-97.812.2174.7-72.5-77.2000113.7V425 L426 I427 I431 A842 R845 A846 L849V425-N429 PolarHBondContact O-N 3.09Å; V425-N429 PolarHBondContact O-ND2 2.81Å; L426-N429 CarbonylContact O-C 3.55Å; L426-N429 PolarHBondContact O-N 3.01Å; L426-N429 VanDerWaalsContact O-N 3.15Å; I427-N429 PolarHBondContact O-N 3.02Å; I427-N429 VanDerWaalsContact O-N 3.17Å; N429-I431 HydrophobicContact CB-CD1 3.88Å; N429-I431 HydrophobicContact CB-CG1 4.15Å; N429-I431 PolarHBondContact O-N 3.05Å; N429-A842 HydrophobicContact CB-CB 4.44Å; N429-A842 WeakPolarHBondContact O-CB 3.48Å; N429-R845 WeakPolarHBondContact OD1-CB 3.45Å; N429-R845 PolarHBondContact OD1-NE 3.44Å; N429-A846 HydrophobicContact CB-CB 4.43Å; N429-L849 WeakPolarHBondContact ND2-CD1 3.44Å
430C90.6Very high88Confident66 Ų6638.6 Ų38.645%0.44622%0.217SC..THydrogen-bonded Turntrans57.130.3-177.1-56.10000113.5R341 L426 I427 R839R341-C430 WeakPolarHBondContact CD-SG 3.14Å; L426-C430 PolarHBondContact O-N 2.82Å; I427-C430 PolarHBondContact O-N 2.9Å; C430-R839 PolarHBondContact O-NH1 3.36Å
431I91.8Very high87.7Confident7 Ų742.3 Ų42.34%0.03624%0.236CC..  trans-92.7120.2177-62.2166.2000107.7L426 N429 V433 Y528 A842 A846L426-I431 HydrophobicContact CB-CB 4.3Å; L426-I431 HydrophobicContact CD2-CB 4.2Å; L426-I431 HydrophobicContact CD2-CD1 4.3Å; L426-I431 HydrophobicContact CD2-CG2 3.86Å; L426-I431 WeakPolarHBondContact O-CB 2.98Å; L426-I431 PolarHBondContact O-N 2.86Å; N429-I431 HydrophobicContact CB-CD1 3.88Å; N429-I431 HydrophobicContact CB-CG1 4.15Å; N429-I431 PolarHBondContact O-N 3.05Å; I431-V433 HydrophobicContact CG2-CG2 3.5Å; I431-Y528 HydrophobicContact CB-CE1 4.41Å; I431-Y528 HydrophobicContact CD1-CD1 3.62Å; I431-Y528 HydrophobicContact CD1-CE1 3.56Å; I431-Y528 HydrophobicContact CD1-CG 4.47Å; I431-Y528 HydrophobicContact CG1-CD1 4.17Å; I431-Y528 HydrophobicContact CG1-CE1 3.64Å; I431-Y528 HydrophobicContact CG2-CD1 4.11Å; I431-Y528 HydrophobicContact CG2-CD2 3.9Å; I431-Y528 HydrophobicContact CG2-CE1 3.89Å; I431-Y528 HydrophobicContact CG2-CE2 3.7Å; I431-Y528 HydrophobicContact CG2-CG 4.12Å; I431-A842 HydrophobicContact CD1-CB 4.33Å; I431-A842 HydrophobicContact CG1-CB 4.17Å; I431-A846 HydrophobicContact CD1-CB 3.57Å
432H83.5Confident87.3Confident132 Ų13250.8 Ų50.861%0.61127%0.267SS*.  trans-122.2119.2175.2-17564.1000107.7
433V83Confident87Confident26 Ų2654.2 Ų54.216%0.15828%0.283CS..  trans-130.576.6-174.6-128.40000108.3I431 Y528 Y535I431-V433 HydrophobicContact CG2-CG2 3.5Å; V433-Y528 HydrophobicContact CG1-CD2 4.49Å; V433-Y528 HydrophobicContact CG2-CD2 4.4Å; V433-Y535 HydrophobicContact CB-CD1 3.95Å; V433-Y535 HydrophobicContact CB-CG 4.31Å; V433-Y535 HydrophobicContact CG1-CD1 4.27Å; V433-Y535 HydrophobicContact CG1-CG 4.38Å; V433-Y535 HydrophobicContact CG2-CD1 4.12Å; V433-Y535 HydrophobicContact CG2-CG 4.12Å
434P81.2Confident86.7Confident33 Ų3352 Ų5221%0.21427%0.273CS..PPolyproline II helixtrans-67.2156.217430.2-32.3000109.4R524P434-R524 PolarHBondContact O-NH2 3.5Å
435P85.8Confident86.2Confident121 Ų12153.9 Ų53.979%0.78629%0.285SS*.PPolyproline II helixtrans-53.8149.5166.1-23.133.9000111
436F86.1Confident85.3Confident45 Ų4558.5 Ų58.520%0.19731%0.313CS..PPolyproline II helixtrans-65.3135.9174.1-63.7-77.3000109.9Q440 L441 E520 L538 P539F436-Q440 VanDerWaalsContact CA-OE1 3.3Å; F436-L441 HydrophobicContact CB-CD2 4.41Å; F436-E520 HydrophobicContact CD1-CG 4.21Å; F436-E520 HydrophobicContact CE1-CG 3.99Å; F436-L538 WeakPolarHBondContact CZ-O 3.5Å; F436-P539 HydrophobicContact CD1-CG 3.91Å; F436-P539 HydrophobicContact CD2-CB 4.25Å; F436-P539 HydrophobicContact CD2-CG 4.26Å; F436-P539 HydrophobicContact CE1-CG 4.05Å; F436-P539 HydrophobicContact CE2-CB 4.4Å; F436-P539 HydrophobicContact CE2-CG 4.39Å; F436-P539 HydrophobicContact CG-CB 4.42Å; F436-P539 HydrophobicContact CG-CG 4.01Å; F436-P539 HydrophobicContact CZ-CG 4.28Å
437S81.8Confident84.5Confident45 Ų4560.4 Ų60.432%0.31532%0.323SS..PPolyproline II helixtrans-73.8158.2-178.771.60000111.7A439 Q440 L441S437-A439 PolarHBondContact O-N 2.76Å; S437-Q440 WeakPolarHBondContact O-CB 3.45Å; S437-Q440 PolarHBondContact O-N 3.09Å; S437-Q440 VanDerWaalsContact O-N 3.08Å; S437-Q440 WeakPolarHBondContact OG-CG 3.4Å; S437-Q440 PolarHBondContact OG-N 3.35Å; S437-Q440 PolarHBondContact OG-OE1 2.77Å; S437-L441 PolarHBondContact O-N 3.42Å
438E80.1Confident83.7Confident134 Ų13461.3 Ų61.363%0.62633%0.331SS*.Hα-helixtrans-57.6-36.3174.8-67.7-164.1170.100112.6Q440 L441 R442E438-Q440 VanDerWaalsContact C-N 3.31Å; E438-Q440 PolarHBondContact O-N 3.46Å; E438-L441 PolarHBondContact O-N 3.25Å; E438-R442 VanDerWaalsContact O-CG 3.28Å; E438-R442 WeakPolarHBondContact O-CG 3.34Å; E438-R442 PolarHBondContact O-N 3.42Å; E438-R442 IonicContact OE2-CZ 2.72Å; E438-R442 IonicContact OE2-NH2 3.27Å; E438-R442 PolarHBondContact OE2-NH2 2.83Å
439A77.1Confident82.9Confident48 Ų4867.4 Ų67.440%0.39737%0.372SS..Hα-helixtrans-62-39.5177.500000111.9S437 R442 E443 L516S437-A439 PolarHBondContact O-N 2.76Å; A439-R442 PolarHBondContact O-N 3.19Å; A439-E443 PolarHBondContact O-N 2.65Å; A439-L516 HydrophobicContact CB-CD1 3.65Å
440Q82.8Confident82.2Confident8 Ų875.4 Ų75.44%0.03741%0.409CS..Hα-helixtrans-67.2-40.5174.3-69.6165.8-27.200111.5F436 S437 E438 R442 E443 L516 E520F436-Q440 VanDerWaalsContact CA-OE1 3.3Å; S437-Q440 WeakPolarHBondContact O-CB 3.45Å; S437-Q440 PolarHBondContact O-N 3.09Å; S437-Q440 VanDerWaalsContact O-N 3.08Å; S437-Q440 WeakPolarHBondContact OG-CG 3.4Å; S437-Q440 PolarHBondContact OG-N 3.35Å; S437-Q440 PolarHBondContact OG-OE1 2.77Å; E438-Q440 VanDerWaalsContact C-N 3.31Å; E438-Q440 PolarHBondContact O-N 3.46Å; Q440-R442 VanDerWaalsContact C-N 3.3Å; Q440-R442 PolarHBondContact O-N 3.4Å; Q440-E443 WeakPolarHBondContact O-CB 3.28Å; Q440-E443 PolarHBondContact O-N 3.21Å; Q440-L516 HydrophobicContact CG-CB 3.8Å; Q440-L516 PolarHBondContact NE2-O 3.43Å; Q440-E520 VanDerWaalsContact NE2-CB 3.3Å
441L85.3Confident81.5Confident83 Ų8379.3 Ų79.344%0.43542%0.418SS..Hα-helixtrans-67.7-30.5177.9-65.3174.8000112.4F436 S437 E438 E443 M444 P539F436-L441 HydrophobicContact CB-CD2 4.41Å; S437-L441 PolarHBondContact O-N 3.42Å; E438-L441 PolarHBondContact O-N 3.25Å; L441-E443 VanDerWaalsContact C-N 3.27Å; L441-E443 PolarHBondContact O-N 2.81Å; L441-M444 VanDerWaalsContact O-CB 3.29Å; L441-M444 WeakPolarHBondContact O-CB 3.48Å; L441-M444 WeakPolarHBondContact O-CG 3.27Å; L441-M444 PolarHBondContact O-N 2.74Å; L441-M444 VanDerWaalsContact O-N 3.15Å; L441-P539 HydrophobicContact CD2-CB 4.1Å
442R84.3Confident81Confident192 Ų19283.6 Ų83.673%0.72545%0.446SS*.Hα-helixtrans-69.3-20.2174.6-72.3174.5-162.8-179.48.4113.6E438 A439 Q440 M444E438-R442 VanDerWaalsContact O-CG 3.28Å; E438-R442 WeakPolarHBondContact O-CG 3.34Å; E438-R442 PolarHBondContact O-N 3.42Å; E438-R442 IonicContact OE2-CZ 2.72Å; E438-R442 IonicContact OE2-NH2 3.27Å; E438-R442 PolarHBondContact OE2-NH2 2.83Å; A439-R442 PolarHBondContact O-N 3.19Å; Q440-R442 VanDerWaalsContact C-N 3.3Å; Q440-R442 PolarHBondContact O-N 3.4Å; R442-M444 PolarHBondContact O-N 2.97Å
443E84.8Confident81.1Confident74 Ų7479.6 Ų79.635%0.34643%0.426SS..THydrogen-bonded Turntrans-73.4-14.7171.7-65.7-173.9171.300112.3A439 Q440 L441 S515 L516 T517A439-E443 PolarHBondContact O-N 2.65Å; Q440-E443 WeakPolarHBondContact O-CB 3.28Å; Q440-E443 PolarHBondContact O-N 3.21Å; L441-E443 VanDerWaalsContact C-N 3.27Å; L441-E443 PolarHBondContact O-N 2.81Å; E443-S515 WeakPolarHBondContact OE2-CB 3.49Å; E443-S515 PolarHBondContact OE2-OG 3.41Å; E443-L516 VanDerWaalsContact OE1-CB 3.29Å; E443-L516 WeakPolarHBondContact OE1-CB 3.46Å; E443-L516 WeakPolarHBondContact OE1-CG 3.25Å; E443-L516 PolarHBondContact OE1-N 3.07Å; E443-L516 PolarHBondContact OE2-N 3.19Å; E443-T517 PolarHBondContact OE2-N 2.9Å; E443-T517 VanDerWaalsContact OE2-N 3.12Å; E443-T517 PolarHBondContact OE2-OG1 3.37Å
444M85.1Confident81Confident20 Ų2082 Ų8210%0.09945%0.448CS..SBendtrans-80.8144.9-173.2-52.9-65.891.400111.5L441 R442 T517 P539 V541 L542L441-M444 VanDerWaalsContact O-CB 3.29Å; L441-M444 WeakPolarHBondContact O-CB 3.48Å; L441-M444 WeakPolarHBondContact O-CG 3.27Å; L441-M444 PolarHBondContact O-N 2.74Å; L441-M444 VanDerWaalsContact O-N 3.15Å; R442-M444 PolarHBondContact O-N 2.97Å; M444-T517 HydrophobicContact CE-CG2 4.04Å; M444-T517 WeakPolarHBondContact CE-OG1 3.37Å; M444-P539 HydrophobicContact SD-CB 4.27Å; M444-P539 HydrophobicContact SD-CG 3.97Å; M444-V541 HydrophobicContact CB-CG1 4.35Å; M444-L542 HydrophobicContact CE-CD1 3.95Å; M444-L542 HydrophobicContact SD-CD1 3.36Å; M444-L542 WeakPolarHBondContact SD-CD1 3.39Å; M444-L542 HydrophobicContact SD-CD2 4.13Å; M444-L542 HydrophobicContact SD-CG 3.47Å; M444-L542 WeakPolarHBondContact SD-CG 3.26Å
445P82.7Confident81.2Confident39 Ų3981.5 Ų81.525%0.25345%0.447SS..PPolyproline II helixtrans-59.7142.6169.5-1830.1000110.8N447 F510 L546P445-N447 PolarHBondContact O-N 3.33Å; P445-F510 HydrophobicContact CG-CD1 3.75Å; P445-F510 HydrophobicContact CG-CE1 4.16Å; P445-L546 HydrophobicContact CB-CD1 3.82Å; P445-L546 HydrophobicContact CG-CD1 3.81Å
446V76.4Confident81.2Confident104 Ų10479.9 Ų79.963%0.6343%0.432SS*.PPolyproline II helixtrans-73118.2173.8-177.60000108.3K451V446-K451 HydrophobicContact CG1-CB 4.33Å
447N76.4Confident81.3Confident52 Ų5282.7 Ų82.728%0.27846%0.455SS..  trans-125.7103.2165.7-165.617.4000108.3P445 P452 W453 D545 L546P445-N447 PolarHBondContact O-N 3.33Å; N447-P452 WeakPolarHBondContact OD1-CA 3.18Å; N447-W453 HydrophobicContact CB-CB 4.01Å; N447-W453 PolarHBondContact OD1-N 3.22Å; N447-D545 PolarHBondContact ND2-OD1 3.37Å; N447-D545 PolarHBondContact ND2-OD2 3.4Å; N447-L546 HydrophobicContact CB-CD2 4.02Å; N447-L546 HydrophobicContact CB-CG 4.48Å
448S75.6Confident81.7Confident38 Ų3883.6 Ų83.627%0.26647%0.465SS..BIsolated β-bridgetrans-133.4160.3176.273.70000110.3E450 K451 P452S448-E450 PolarHBondContact O-N 2.88Å; S448-E450 VanDerWaalsContact O-N 3.09Å; S448-E450 PolarHBondContact OG-N 2.72Å; S448-K451 PolarHBondContact N-O 2.79Å; S448-K451 CarbonylContact O-C 3.53Å; S448-K451 PolarHBondContact O-N 3.43Å; S448-K451 PolarHBondContact OG-N 2.76Å; S448-K451 VanDerWaalsContact OG-N 3.09Å; S448-P452 WeakPolarHBondContact O-CA 3.22Å
449P73.7Confident82Confident137 Ų13779.4 Ų79.489%0.8945%0.446SS*.THydrogen-bonded Turntrans-54.8-29.3174.7-26.535.3000113.3
450E77.4Confident82.5Confident180 Ų18079.2 Ų79.284%0.84144%0.439SS*.THydrogen-bonded Turntrans-81.3-29.5177.5-60.4177.8179.400113.2S448S448-E450 PolarHBondContact O-N 2.88Å; S448-E450 VanDerWaalsContact O-N 3.09Å; S448-E450 PolarHBondContact OG-N 2.72Å
451K76.9Confident82.8Confident148 Ų14883 Ų8364%0.64347%0.472SS*.BIsolated β-bridgetrans-136.977.9178.4-69.3-175.5-176.7175.70109.2V446 S448V446-K451 HydrophobicContact CG1-CB 4.33Å; S448-K451 PolarHBondContact N-O 2.79Å; S448-K451 CarbonylContact O-C 3.53Å; S448-K451 PolarHBondContact O-N 3.43Å; S448-K451 PolarHBondContact OG-N 2.76Å; S448-K451 VanDerWaalsContact OG-N 3.09Å
452P81.1Confident83Confident96 Ų9682.9 Ų82.962%0.62348%0.483SS*.  trans-67.4141179.926.9-33.8000109.8N447 S448 A454N447-P452 WeakPolarHBondContact OD1-CA 3.18Å; S448-P452 WeakPolarHBondContact O-CA 3.22Å; P452-A454 PolarHBondContact O-N 2.91Å
453W85Confident83.4Confident48 Ų4874.3 Ų74.318%0.18245%0.45CS..  trans-66134174.4-178.288.7000110.3N447 A455 F510 L546 Y556N447-W453 HydrophobicContact CB-CB 4.01Å; N447-W453 PolarHBondContact OD1-N 3.22Å; W453-A455 HydrophobicContact CH2-CB 4.3Å; W453-F510 HydrophobicContact CH2-CZ 4.43Å; W453-F510 HydrophobicContact CZ2-CE1 4Å; W453-F510 AromaticContact CZ2-CZ 3.86Å; W453-F510 HydrophobicContact CZ2-CZ 3.86Å; W453-L546 HydrophobicContact CB-CD2 3.58Å; W453-L546 HydrophobicContact CD2-CD2 3.83Å; W453-L546 HydrophobicContact CE3-CD2 4.29Å; W453-L546 HydrophobicContact CG-CD2 3.5Å; W453-Y556 HydrophobicContact CH2-CD2 4.12Å; W453-Y556 HydrophobicContact CH2-CE1 4.33Å; W453-Y556 AromaticContact CH2-CE2 3.82Å; W453-Y556 HydrophobicContact CH2-CE2 3.82Å; W453-Y556 AromaticContact CH2-CZ 3.91Å; W453-Y556 HydrophobicContact CZ2-CD2 4.12Å; W453-Y556 AromaticContact CZ2-CE2 3.57Å; W453-Y556 HydrophobicContact CZ2-CE2 3.57Å; W453-Y556 AromaticContact CZ2-CZ 3.94Å
454A82.6Confident83.9Confident76 Ų7675.4 Ų75.463%0.62845%0.452SS*.  trans-128.4148.9174.600000109.7P452 D456P452-A454 PolarHBondContact O-N 2.91Å; A454-D456 PolarHBondContact O-N 3.23Å
455A83.4Confident84.3Confident24 Ų2477.5 Ų77.520%0.19846%0.463CS..  trans-61130175.400000110.4W453 V460 Y556 L580W453-A455 HydrophobicContact CH2-CB 4.3Å; A455-V460 HydrophobicContact CB-CG2 3.8Å; A455-Y556 WeakPolarHBondContact CA-OH 3.28Å; A455-Y556 HydrophobicContact CB-CE1 3.91Å; A455-L580 HydrophobicContact CB-CD1 4.39Å
456D86.9Confident84.8Confident86 Ų8675.6 Ų75.646%0.4645%0.451SS..  trans-63.6125.5177-176.6-20.5000109.5A454 A458 E459 V460 Y556A454-D456 PolarHBondContact O-N 3.23Å; D456-A458 PolarHBondContact O-N 3.32Å; D456-A458 VanDerWaalsContact O-N 3.09Å; D456-A458 WeakPolarHBondContact OD1-CB 3.34Å; D456-A458 PolarHBondContact OD1-N 3.25Å; D456-E459 HydrophobicContact CB-CB 4.24Å; D456-E459 HydrophobicContact CB-CG 4.21Å; D456-E459 PolarHBondContact O-N 3.14Å; D456-V460 WeakPolarHBondContact O-CG2 2.91Å; D456-V460 PolarHBondContact O-N 2.69Å; D456-Y556 PolarHBondContact N-OH 3.14Å
457P88.2Confident85.6Confident104 Ų10474.6 Ų74.668%0.67544%0.436SS*.Hα-helixtrans-50.7-33.4176.7-2835000114.5V460 A461P457-V460 PolarHBondContact O-N 3.19Å; P457-A461 PolarHBondContact O-N 2.97Å; P457-A461 VanDerWaalsContact O-N 3.13Å
458A89.1Confident86.1Confident65 Ų6581.2 Ų81.254%0.53747%0.465SS..Hα-helixtrans-67.4-41.1177.300000111.9D456 A461 A462D456-A458 PolarHBondContact O-N 3.32Å; D456-A458 VanDerWaalsContact O-N 3.09Å; D456-A458 WeakPolarHBondContact OD1-CB 3.34Å; D456-A458 PolarHBondContact OD1-N 3.25Å; A458-A461 PolarHBondContact O-N 3.33Å; A458-A462 PolarHBondContact O-N 3Å; A458-A462 VanDerWaalsContact O-N 3.14Å
459E88.1Confident86.7Confident46 Ų4683.3 Ų83.322%0.21548%0.476CS..Hα-helixtrans-71-36.8176.4-73.7-71.1138.800111.6D456 A461 A462 R463 H509 Y556D456-E459 HydrophobicContact CB-CB 4.24Å; D456-E459 HydrophobicContact CB-CG 4.21Å; D456-E459 PolarHBondContact O-N 3.14Å; E459-A461 VanDerWaalsContact C-N 3.25Å; E459-A461 PolarHBondContact O-N 3.38Å; E459-A462 PolarHBondContact O-N 2.98Å; E459-R463 VanDerWaalsContact O-CB 3.31Å; E459-R463 WeakPolarHBondContact O-CB 3.38Å; E459-R463 WeakPolarHBondContact O-CG 3.45Å; E459-R463 PolarHBondContact O-N 2.87Å; E459-R463 IonicContact OE2-CZ 3.17Å; E459-R463 VanDerWaalsContact OE2-CZ 3.29Å; E459-R463 IonicContact OE2-NE 3.8Å; E459-R463 PolarHBondContact OE2-NE 3.18Å; E459-R463 IonicContact OE2-NH2 3.48Å; E459-R463 PolarHBondContact OE2-NH2 3.08Å; E459-H509 IonicContact OE1-CE1 3.38Å; E459-H509 IonicContact OE1-ND1 3.79Å; E459-H509 IonicContact OE2-CE1 3.64Å; E459-H509 IonicContact OE2-ND1 2.7Å; E459-Y556 HydrophobicContact CB-CE1 4.13Å; E459-Y556 VanDerWaalsContact CB-OH 3.31Å; E459-Y556 WeakPolarHBondContact CB-OH 3.28Å
460V87.7Confident87.6Confident43 Ų4377.5 Ų77.526%0.26144%0.437SS..Hα-helixtrans-59.2-39.1173.7177.30000110.8A455 D456 P457 L580A455-V460 HydrophobicContact CB-CG2 3.8Å; D456-V460 WeakPolarHBondContact O-CG2 2.91Å; D456-V460 PolarHBondContact O-N 2.69Å; P457-V460 PolarHBondContact O-N 3.19Å; V460-L580 HydrophobicContact CB-CD2 4.49Å; V460-L580 HydrophobicContact CG1-CD2 4.12Å; V460-L580 HydrophobicContact CG2-CD2 3.99Å
461A88.6Confident88.3Confident89 Ų8970.2 Ų70.274%0.73640%0.404SS*.Hα-helixtrans-73.1-32.2177.700000113.5P457 A458 E459P457-A461 PolarHBondContact O-N 2.97Å; P457-A461 VanDerWaalsContact O-N 3.13Å; A458-A461 PolarHBondContact O-N 3.33Å; E459-A461 VanDerWaalsContact C-N 3.25Å; E459-A461 PolarHBondContact O-N 3.38Å
462A88.9Confident89.2Confident79 Ų7963.2 Ų63.265%0.65337%0.374SS*.Hα-helixtrans-82.1-28.9-178.700000113.6A458 E459A458-A462 PolarHBondContact O-N 3Å; A458-A462 VanDerWaalsContact O-N 3.14Å; E459-A462 PolarHBondContact O-N 2.98Å
463R93.2Very high89.8Confident12 Ų1258.7 Ų58.75%0.04534%0.344CS..SBendtrans-89153.2-177.4-67.2174.5-178.4-96.7-3.3111.4E459 D465 D506 H509 R578E459-R463 VanDerWaalsContact O-CB 3.31Å; E459-R463 WeakPolarHBondContact O-CB 3.38Å; E459-R463 WeakPolarHBondContact O-CG 3.45Å; E459-R463 PolarHBondContact O-N 2.87Å; E459-R463 IonicContact OE2-CZ 3.17Å; E459-R463 VanDerWaalsContact OE2-CZ 3.29Å; E459-R463 IonicContact OE2-NE 3.8Å; E459-R463 PolarHBondContact OE2-NE 3.18Å; E459-R463 IonicContact OE2-NH2 3.48Å; E459-R463 PolarHBondContact OE2-NH2 3.08Å; R463-D465 PolarHBondContact O-N 2.87Å; R463-D506 IonicContact CZ-OD2 3.28Å; R463-D506 VanDerWaalsContact CZ-OD2 3.23Å; R463-D506 IonicContact NH1-OD2 2.87Å; R463-D506 PolarHBondContact NH1-OD2 3.45Å; R463-D506 IonicContact NH2-OD2 3.92Å; R463-D506 PolarHBondContact NH2-OD2 3.17Å; R463-H509 PolarHBondContact NH2-ND1 2.69Å; R463-R578 HydrophobicContact CG-CB 4.09Å
464R94.3Very high90.2Very high98 Ų9856.4 Ų56.437%0.3734%0.335SS..EExtended strand (participates in β ladder)trans-76.7119.4170.6-176.6175.5-178.2178.1-3.7109.5L466 W575 R578 T579 L580R464-L466 HydrophobicContact CG-CD2 3.93Å; R464-W575 HydrophobicContact CB-CH2 4.2Å; R464-W575 HydrophobicContact CB-CZ2 4.3Å; R464-R578 PolarHBondContact N-O 3.03Å; R464-T579 HydrophobicContact CB-CG2 4.24Å; R464-T579 CarbonylContact O-C 3.49Å; R464-T579 WeakPolarHBondContact O-CA 3.2Å; R464-T579 WeakPolarHBondContact O-CB 3.47Å; R464-L580 PolarHBondContact O-N 2.97Å
465D94.3Very high90.7Very high63 Ų6352.9 Ų52.934%0.33731%0.306SS..EExtended strand (participates in β ladder)trans-81119179.9-167-10.4000111.4R463 R467R463-D465 PolarHBondContact O-N 2.87Å; D465-R467 WeakPolarHBondContact OD1-CB 3.21Å; D465-R467 VanDerWaalsContact OD1-CG 3.28Å; D465-R467 WeakPolarHBondContact OD1-CG 3.44Å; D465-R467 IonicContact OD1-CZ 2.76Å; D465-R467 PolarHBondContact OD1-N 3.36Å; D465-R467 IonicContact OD1-NE 3.37Å; D465-R467 PolarHBondContact OD1-NE 3.07Å; D465-R467 IonicContact OD1-NH2 2.85Å; D465-R467 IonicContact OD2-CZ 3.58Å; D465-R467 IonicContact OD2-NE 3.1Å; D465-R467 PolarHBondContact OD2-NE 3.31Å; D465-R467 IonicContact OD2-NH2 3.42Å; D465-R467 PolarHBondContact OD2-NH2 3.03Å
466L94.1Very high91Very high0 Ų052.3 Ų52.30%030%0.299CS..  trans-110.5-2.8179.7-53.8-175.7000113R464 Q468 T469 H470 M561 T579 L580 I581R464-L466 HydrophobicContact CG-CD2 3.93Å; L466-Q468 VanDerWaalsContact C-N 3.28Å; L466-Q468 PolarHBondContact O-N 3.32Å; L466-Q468 VanDerWaalsContact O-N 3.15Å; L466-T469 WeakPolarHBondContact CA-OG1 3.48Å; L466-T469 PolarHBondContact O-N 3.08Å; L466-T469 PolarHBondContact O-OG1 2.74Å; L466-H470 PolarHBondContact O-N 2.75Å; L466-M561 HydrophobicContact CD1-SD 4.27Å; L466-T579 HydrophobicContact CD1-CG2 3.69Å; L466-T579 HydrophobicContact CG-CG2 4.11Å; L466-L580 PolarHBondContact N-O 3.01Å; L466-I581 HydrophobicContact CB-CG2 4.22Å; L466-I581 HydrophobicContact CD1-CG2 4.06Å
467R91.9Very high91Very high83 Ų8350.8 Ų50.831%0.31330%0.295SS..THydrogen-bonded Turntrans-58.2-33.9-168.7-66.4176.5-66.7176.80.6114.6D465 D554 L580 R582D465-R467 WeakPolarHBondContact OD1-CB 3.21Å; D465-R467 VanDerWaalsContact OD1-CG 3.28Å; D465-R467 WeakPolarHBondContact OD1-CG 3.44Å; D465-R467 IonicContact OD1-CZ 2.76Å; D465-R467 PolarHBondContact OD1-N 3.36Å; D465-R467 IonicContact OD1-NE 3.37Å; D465-R467 PolarHBondContact OD1-NE 3.07Å; D465-R467 IonicContact OD1-NH2 2.85Å; D465-R467 IonicContact OD2-CZ 3.58Å; D465-R467 IonicContact OD2-NE 3.1Å; D465-R467 PolarHBondContact OD2-NE 3.31Å; D465-R467 IonicContact OD2-NH2 3.42Å; D465-R467 PolarHBondContact OD2-NH2 3.03Å; R467-D554 VanDerWaalsContact CD-OD2 3.3Å; R467-D554 WeakPolarHBondContact CD-OD2 3.4Å; R467-D554 IonicContact CZ-OD2 3.49Å; R467-D554 IonicContact NE-OD2 2.83Å; R467-D554 IonicContact NH1-OD2 2.69Å; R467-D554 PolarHBondContact NH1-OD2 3.45Å; R467-L580 HydrophobicContact CG-CG 4.2Å; R467-L580 VanDerWaalsContact CZ-CD2 3.46Å; R467-R582 HydrophobicContact CB-CB 4.43Å; R467-R582 HydrophobicContact CG-CB 4.13Å
468Q88Confident90.7Very high190 Ų19051 Ų5189%0.88829%0.287SS*.THydrogen-bonded Turntrans-105.2-13.8-178.2-64.7-176.4-8.800113.5L466L466-Q468 VanDerWaalsContact C-N 3.28Å; L466-Q468 PolarHBondContact O-N 3.32Å; L466-Q468 VanDerWaalsContact O-N 3.15Å
469T87.9Confident90Very high82 Ų8251.4 Ų51.450%0.50330%0.296SS..THydrogen-bonded Turntrans-102.7-17.6-167.951.10000113.5L466L466-T469 WeakPolarHBondContact CA-OG1 3.48Å; L466-T469 PolarHBondContact O-N 3.08Å; L466-T469 PolarHBondContact O-OG1 2.74Å
470H91.5Very high89.7Confident15 Ų1550.5 Ų50.57%0.06930%0.295CS..SBendtrans-132139.9-176.1-59.868.7000110.1L466 V472 R490 E499L466-H470 PolarHBondContact O-N 2.75Å; H470-V472 HydrophobicContact CB-CG2 4.02Å; H470-V472 PolarHBondContact O-N 2.7Å; H470-R490 PolarHBondContact NE2-NE 3.01Å; H470-R490 PolarHBondContact NE2-NH2 3Å; H470-E499 IonicContact CD2-OE2 2.95Å; H470-E499 IonicContact NE2-OE2 3.63Å; H470-E499 PolarHBondContact NE2-OE2 3.09Å
471L93Very high89.2Confident28 Ų2853.6 Ų53.615%0.14731%0.307CS..  trans-81105.7163.8-17767.7000108.5F473 S488 Y585 E620 A624L471-F473 HydrophobicContact CG-CD1 4.42Å; L471-S488 WeakPolarHBondContact O-CA 3.36Å; L471-S488 VanDerWaalsContact O-CB 3.22Å; L471-S488 WeakPolarHBondContact O-CB 3.37Å; L471-Y585 HydrophobicContact CD1-CD2 4.24Å; L471-Y585 HydrophobicContact CD1-CE2 3.71Å; L471-Y585 HydrophobicContact CD2-CE2 4.43Å; L471-E620 HydrophobicContact CD2-CG 4.08Å; L471-A624 HydrophobicContact CD2-CB 4.36Å
472V94.8Very high89Confident1 Ų150 Ų501%0.00628%0.275CS..EExtended strand (participates in β ladder)trans-105.5133.7179.8-1780000109H470 T486 L487 I581 S584H470-V472 HydrophobicContact CB-CG2 4.02Å; H470-V472 PolarHBondContact O-N 2.7Å; V472-T486 VanDerWaalsContact CG1-CB 3.5Å; V472-T486 HydrophobicContact CG1-CG2 4.13Å; V472-T486 WeakPolarHBondContact CG1-OG1 3.48Å; V472-L487 WeakPolarHBondContact CA-O 3.14Å; V472-I581 HydrophobicContact CG1-CD1 4.2Å; V472-S584 PolarHBondContact O-N 2.93Å
473F94.2Very high89Confident0 Ų046.3 Ų46.30%024%0.244CC..EExtended strand (participates in β ladder)trans-146.9157.1177.456.5-89.7000111.5L471 I475 T486 L487 Y585 L587 L621 A624 L625 L628L471-F473 HydrophobicContact CG-CD1 4.42Å; F473-I475 HydrophobicContact CD2-CD1 4.45Å; F473-I475 HydrophobicContact CD2-CG1 4.15Å; F473-I475 HydrophobicContact CE2-CD1 4.04Å; F473-I475 HydrophobicContact CE2-CG1 4.25Å; F473-T486 CarbonylContact O-C 3.55Å; F473-T486 WeakPolarHBondContact O-CA 3.47Å; F473-T486 WeakPolarHBondContact O-CB 3.16Å; F473-L487 HydrophobicContact CE2-CB 4.49Å; F473-L487 PolarHBondContact N-O 3.05Å; F473-L487 PolarHBondContact O-N 3.38Å; F473-Y585 WeakPolarHBondContact CA-O 3.36Å; F473-Y585 HydrophobicContact CB-CD2 4.36Å; F473-Y585 WeakPolarHBondContact CB-O 3.13Å; F473-L587 HydrophobicContact CD2-CD1 4.31Å; F473-L621 HydrophobicContact CD1-CD1 4.12Å; F473-L621 HydrophobicContact CE1-CD1 4.38Å; F473-L621 HydrophobicContact CG-CD1 4.25Å; F473-A624 HydrophobicContact CE1-CB 4.03Å; F473-A624 HydrophobicContact CZ-CB 4.44Å; F473-L625 HydrophobicContact CE2-CD2 3.66Å; F473-L625 HydrophobicContact CZ-CD2 4.01Å; F473-L628 HydrophobicContact CE2-CD2 4.36Å; F473-L628 HydrophobicContact CZ-CD2 4.3Å
474S94Very high89Confident0 Ų045.9 Ų45.90%024%0.243CC..EExtended strand (participates in β ladder)trans-107.8156.7173.884.90000111.5D476 Y585 L587S474-D476 WeakPolarHBondContact CB-OD2 3.15Å; S474-D476 PolarHBondContact OG-OD2 3.16Å; S474-Y585 PolarHBondContact N-O 2.91Å; S474-L587 WeakPolarHBondContact O-CB 3.32Å; S474-L587 PolarHBondContact O-N 3.4Å
475I92.5Very high89Confident3 Ų342.1 Ų42.12%0.01523%0.23CC..EExtended strand (participates in β ladder)trans-136107.3173.3-53.3175.4000108.9F473 L587 Y589 A592 L625 V673 V677F473-I475 HydrophobicContact CD2-CD1 4.45Å; F473-I475 HydrophobicContact CD2-CG1 4.15Å; F473-I475 HydrophobicContact CE2-CD1 4.04Å; F473-I475 HydrophobicContact CE2-CG1 4.25Å; I475-L587 WeakPolarHBondContact CA-O 3.42Å; I475-L587 HydrophobicContact CG1-CB 4.3Å; I475-L587 HydrophobicContact CG1-CD1 4.41Å; I475-Y589 HydrophobicContact CG2-CD1 3.66Å; I475-Y589 HydrophobicContact CG2-CE1 3.84Å; I475-Y589 HydrophobicContact CG2-CG 4.29Å; I475-A592 HydrophobicContact CD1-CB 4.3Å; I475-A592 HydrophobicContact CG2-CB 4.05Å; I475-L625 HydrophobicContact CD1-CD2 3.88Å; I475-V673 HydrophobicContact CD1-CG1 3.87Å; I475-V673 HydrophobicContact CG2-CG1 3.66Å; I475-V677 HydrophobicContact CB-CG2 4.02Å; I475-V677 HydrophobicContact CD1-CG2 4.13Å; I475-V677 HydrophobicContact CG2-CG2 4.35Å
476D90.7Very high89Confident11 Ų1139.1 Ų39.16%0.05921%0.214CC..EExtended strand (participates in β ladder)trans-130.6167.9-168.5-67.1-77.5000112.9S474 C480 V483 L587 H588 Y589S474-D476 WeakPolarHBondContact CB-OD2 3.15Å; S474-D476 PolarHBondContact OG-OD2 3.16Å; D476-C480 HydrophobicContact CB-CB 3.72Å; D476-V483 WeakPolarHBondContact OD2-CG1 3.47Å; D476-L587 PolarHBondContact N-O 2.97Å; D476-H588 WeakPolarHBondContact O-CA 3.44Å; D476-Y589 VanDerWaalsContact C-CD2 3.48Å; D476-Y589 VanDerWaalsContact O-CD2 3.31Å; D476-Y589 WeakPolarHBondContact O-CD2 3.46Å; D476-Y589 PolarHBondContact O-N 3.15Å
477P85.8Confident89.2Confident55 Ų5539.2 Ų39.236%0.35722%0.215SC..  trans-61.2148.6166.5-18.130.7000111.1G479 C480 Y589P477-G479 PolarHBondContact O-N 3.07Å; P477-C480 VanDerWaalsContact O-CB 3.25Å; P477-C480 WeakPolarHBondContact O-CB 3.24Å; P477-C480 PolarHBondContact O-N 2.69Å; P477-C480 VanDerWaalsContact O-N 3.08Å; P477-Y589 HydrophobicContact CB-CE2 4.48Å; P477-Y589 HydrophobicContact CG-CD2 4.45Å; P477-Y589 HydrophobicContact CG-CE2 3.86Å; P477-Y589 VanDerWaalsContact N-CE2 3.33Å
478Q82.3Confident89.3Confident109 Ų10935.3 Ų35.351%0.50920%0.2SC..THydrogen-bonded Turntrans-57.4128.8172.7-168.2176.838.100110.9H588Q478-H588 HydrophobicContact CB-CB 4.47Å
479G75.4Confident89.7Confident72 Ų7227 Ų2774%0.74216%0.163SC*.THydrogen-bonded Turntrans81.514-177.300000115.1P477P477-G479 PolarHBondContact O-N 3.07Å
480C80.6Confident89.9Confident28 Ų2826.4 Ų26.419%0.18915%0.151CC..  trans-67.2128171.8-167.90000111D476 P477D476-C480 HydrophobicContact CB-CB 3.72Å; P477-C480 VanDerWaalsContact O-CB 3.25Å; P477-C480 WeakPolarHBondContact O-CB 3.24Å; P477-C480 PolarHBondContact O-N 2.69Å; P477-C480 VanDerWaalsContact O-N 3.08Å
481E77.4Confident89.8Confident107 Ų10733 Ų3350%0.518%0.175SC..  trans-107.4-26.1176.4-64.7175.6163.800111.7V483 R534 A544 S548E481-V483 PolarHBondContact O-N 2.73Å; E481-R534 IonicContact OE2-CZ 3.73Å; E481-R534 IonicContact OE2-NH1 3.31Å; E481-R534 IonicContact OE2-NH2 3.71Å; E481-R534 PolarHBondContact OE2-NH2 2.82Å; E481-A544 HydrophobicContact CB-CB 4.35Å; E481-S548 WeakPolarHBondContact O-CB 3.39Å; E481-S548 PolarHBondContact O-OG 3.13Å
482D84.5Confident89.7Confident15 Ų1533.6 Ų33.68%0.0818%0.178CC..  trans-9869.6-17950.5-43000111.1D484 Y529 R534 I795D482-D484 PolarHBondContact O-N 3.47Å; D482-Y529 PolarHBondContact OD2-OH 2.93Å; D482-R534 IonicContact OD1-CZ 2.75Å; D482-R534 IonicContact OD1-NH1 3.68Å; D482-R534 PolarHBondContact OD1-NH1 3.47Å; D482-I795 HydrophobicContact CB-CG2 4.14Å
483V89.4Confident89.1Confident0 Ų037 Ų370%021%0.206CC..  trans-78101.3179.3-176.10000109.7D476 E481 S548 L549D476-V483 WeakPolarHBondContact OD2-CG1 3.47Å; E481-V483 PolarHBondContact O-N 2.73Å; V483-S548 PolarHBondContact N-OG 3.17Å; V483-L549 HydrophobicContact CB-CB 4.49Å; V483-L549 HydrophobicContact CG1-CB 4.06Å; V483-L549 PolarHBondContact O-N 3.35Å
484D92Very high88.3Confident4 Ų441.2 Ų41.22%0.02125%0.25CS..  trans-80.7-35.6179.7-84.3-68000113D482 I504 A505 L549 S793 P794 I795 R796D482-D484 PolarHBondContact O-N 3.47Å; D484-I504 CarbonylContact O-C 3.51Å; D484-I504 WeakPolarHBondContact O-CA 3.37Å; D484-A505 PolarHBondContact O-N 3.28Å; D484-L549 WeakPolarHBondContact O-CD1 3.36Å; D484-S793 VanDerWaalsContact CG-CA 3.41Å; D484-S793 VanDerWaalsContact OD1-C 3.32Å; D484-S793 WeakPolarHBondContact OD1-CA 3.11Å; D484-S793 WeakPolarHBondContact OD2-CA 3.42Å; D484-S793 VanDerWaalsContact OD2-CB 3.24Å; D484-S793 WeakPolarHBondContact OD2-CB 3.41Å; D484-P794 WeakPolarHBondContact OD1-CD 3.29Å; D484-I795 WeakPolarHBondContact OD1-CB 3.33Å; D484-I795 WeakPolarHBondContact OD1-CD1 3.35Å; D484-I795 WeakPolarHBondContact OD1-CG1 3.28Å; D484-I795 PolarHBondContact OD1-N 3.34Å; D484-R796 IonicContact OD2-NE 3.8Å
485D94.2Very high87.7Confident19 Ų1942.5 Ų42.510%0.10226%0.263CS..EExtended strand (participates in β ladder)trans-126.8142.9-166.861.9-79.9000114.1I504 M681D485-I504 HydrophobicContact CB-CD1 3.56Å; D485-M681 HydrophobicContact CB-CE 3.92Å; D485-M681 HydrophobicContact CB-SD 3.88Å; D485-M681 WeakPolarHBondContact OD2-CE 3.26Å
486T95.9Very high87.5Confident0 Ų049.9 Ų49.90%030%0.295CS..EExtended strand (participates in β ladder)trans-135.4154.817152.10000109.9V472 F473 H503 L549 I581V472-T486 VanDerWaalsContact CG1-CB 3.5Å; V472-T486 HydrophobicContact CG1-CG2 4.13Å; V472-T486 WeakPolarHBondContact CG1-OG1 3.48Å; F473-T486 CarbonylContact O-C 3.55Å; F473-T486 WeakPolarHBondContact O-CA 3.47Å; F473-T486 WeakPolarHBondContact O-CB 3.16Å; T486-H503 PolarHBondContact N-O 2.89Å; T486-H503 PolarHBondContact O-N 2.91Å; T486-H503 WeakPolarHBondContact OG1-CB 3.29Å; T486-H503 PolarHBondContact OG1-O 2.87Å; T486-L549 HydrophobicContact CG2-CB 3.73Å; T486-L549 HydrophobicContact CG2-CD1 3.73Å; T486-L549 HydrophobicContact CG2-CG 4.4Å; T486-I581 WeakPolarHBondContact OG1-CD1 3.43Å
487L96.4Very high87.5Confident2 Ų251.2 Ų51.21%0.0130%0.302CS..EExtended strand (participates in β ladder)trans-121.3149.3-174.7-62.3171.7000109.9V472 F473 G501 V502 L628 V677 C680 M681V472-L487 WeakPolarHBondContact CA-O 3.14Å; F473-L487 HydrophobicContact CE2-CB 4.49Å; F473-L487 PolarHBondContact N-O 3.05Å; F473-L487 PolarHBondContact O-N 3.38Å; L487-G501 WeakPolarHBondContact CA-O 3.44Å; L487-V502 HydrophobicContact CD2-CB 4.46Å; L487-V502 HydrophobicContact CD2-CG2 3.68Å; L487-L628 HydrophobicContact CB-CD2 4.48Å; L487-L628 HydrophobicContact CD1-CD1 4.41Å; L487-L628 HydrophobicContact CD1-CD2 3.65Å; L487-V677 HydrophobicContact CD1-CG2 4.33Å; L487-C680 HydrophobicContact CD2-CB 3.99Å; L487-M681 HydrophobicContact CD2-CE 3.57Å; L487-M681 HydrophobicContact CG-CE 4.34Å
488S96Very high87.9Confident1 Ų149 Ų491%0.00729%0.287CS..EExtended strand (participates in β ladder)trans-140.5148.8166.566.30000110.9L471 G501 H503L471-S488 WeakPolarHBondContact O-CA 3.36Å; L471-S488 VanDerWaalsContact O-CB 3.22Å; L471-S488 WeakPolarHBondContact O-CB 3.37Å; S488-G501 PolarHBondContact N-O 3.42Å; S488-G501 PolarHBondContact O-N 2.92Å; S488-H503 WeakPolarHBondContact CB-NE2 3.48Å; S488-H503 PolarHBondContact OG-NE2 2.86Å
489V94.8Very high88.5Confident16 Ų1644.2 Ų44.210%0.09727%0.265CS..EExtended strand (participates in β ladder)trans-142.3136.2172.564.70000109.8E499 A624 T627 I631V489-E499 VanDerWaalsContact CA-O 3.29Å; V489-E499 WeakPolarHBondContact CA-O 3.48Å; V489-A624 HydrophobicContact CG1-CB 3.8Å; V489-A624 VanDerWaalsContact CG1-O 3.31Å; V489-A624 WeakPolarHBondContact CG1-O 3.47Å; V489-T627 HydrophobicContact CG2-CG2 3.69Å; V489-I631 HydrophobicContact CG2-CD1 4.06Å
490R91.9Very high89.5Confident68 Ų6840.8 Ų40.826%0.25723%0.23SC..EExtended strand (participates in β ladder)trans-145.2157.8176.464.2170.1178.8178-5.8112.6H470 L492 L498 E499H470-R490 PolarHBondContact NE2-NE 3.01Å; H470-R490 PolarHBondContact NE2-NH2 3Å; R490-L492 HydrophobicContact CG-CD2 4.43Å; R490-L492 HydrophobicContact CG-CG 4.46Å; R490-L498 CarbonylContact O-C 3.52Å; R490-L498 WeakPolarHBondContact O-CA 3.47Å; R490-E499 HydrophobicContact CG-CB 3.79Å; R490-E499 IonicContact CZ-OE1 2.78Å; R490-E499 IonicContact CZ-OE2 3.78Å; R490-E499 PolarHBondContact N-O 3.4Å; R490-E499 IonicContact NE-OE1 2.66Å; R490-E499 IonicContact NE-OE2 3.57Å; R490-E499 PolarHBondContact NE-OE2 3.49Å; R490-E499 IonicContact NH2-OE1 3.54Å; R490-E499 PolarHBondContact NH2-OE1 3.32Å; R490-E499 IonicContact NH2-OE2 3.8Å; R490-E499 PolarHBondContact NH2-OE2 2.79Å; R490-E499 PolarHBondContact O-N 3.38Å
491R91.1Very high90.3Very high155 Ų15539.5 Ų39.559%0.58522%0.221SC*.EExtended strand (participates in β ladder)trans-91.7132.6171.6-59.5-169.8175.2-142.7-1.5110L498R491-L498 HydrophobicContact CB-CD2 4.43Å; R491-L498 HydrophobicContact CG-CD2 3.71Å
492L89.6Confident91.3Very high40 Ų4034.4 Ų34.421%0.20920%0.197CC..EExtended strand (participates in β ladder)trans-117.8163.9178.6-69.5-176.4000111.4R490 G494 G495 K496 L497 E499R490-L492 HydrophobicContact CG-CD2 4.43Å; R490-L492 HydrophobicContact CG-CG 4.46Å; L492-G494 VanDerWaalsContact C-N 3.3Å; L492-G494 PolarHBondContact O-N 3.12Å; L492-G495 PolarHBondContact O-N 3.12Å; L492-K496 PolarHBondContact O-N 3.16Å; L492-L497 HydrophobicContact CB-CB 4.03Å; L492-L497 PolarHBondContact N-O 3.37Å; L492-L497 PolarHBondContact O-N 2.86Å; L492-E499 HydrophobicContact CD1-CB 3.76Å; L492-E499 HydrophobicContact CD1-CG 4.27Å; L492-E499 HydrophobicContact CG-CB 4.18Å
493A81.5Confident91.9Very high71 Ų7133.7 Ų33.759%0.58719%0.193SC*.G310 helixtrans50.444.1173.900000114.1G495 L497A493-G495 VanDerWaalsContact C-N 3.27Å; A493-G495 PolarHBondContact O-N 2.91Å; A493-L497 HydrophobicContact CB-CD1 4.34Å; A493-L497 HydrophobicContact CB-CG 4.45Å
494G77.6Confident92.3Very high90 Ų9033.7 Ų33.793%0.92819%0.193SC*.G310 helixtrans68.222.2-178.700000114.3L492L492-G494 VanDerWaalsContact C-N 3.3Å; L492-G494 PolarHBondContact O-N 3.12Å
495G81.6Confident92.5Very high26 Ų2633.5 Ų33.527%0.26819%0.192SC..G310 helixtrans96.93.3178.200000115.1L492 A493 A566L492-G495 PolarHBondContact O-N 3.12Å; A493-G495 VanDerWaalsContact C-N 3.27Å; A493-G495 PolarHBondContact O-N 2.91Å; G495-A566 VanDerWaalsContact O-CB 3.27Å; G495-A566 WeakPolarHBondContact O-CB 3.49Å
496K87.9Confident92.5Very high159 Ų15932.6 Ų32.669%0.69119%0.187SC*.THydrogen-bonded Turntrans-76.1-29.3175.7-67.2-174.9-179.9-1780113.3L492 A566L492-K496 PolarHBondContact O-N 3.16Å; K496-A566 VanDerWaalsContact O-CB 3.24Å; K496-A566 WeakPolarHBondContact O-CB 3.46Å; K496-A566 PolarHBondContact O-N 3.31Å
497L91.8Very high92.5Very high39 Ų3932.6 Ų32.620%0.20419%0.187CC..EExtended strand (participates in β ladder)trans-120.1145.9180-62.6176.1000109.5L492 A493 L564L492-L497 HydrophobicContact CB-CB 4.03Å; L492-L497 PolarHBondContact N-O 3.37Å; L492-L497 PolarHBondContact O-N 2.86Å; A493-L497 HydrophobicContact CB-CD1 4.34Å; A493-L497 HydrophobicContact CB-CG 4.45Å; L497-L564 CarbonylContact C-O 3.58Å; L497-L564 VanDerWaalsContact CA-O 3.3Å; L497-L564 WeakPolarHBondContact CA-O 3.4Å
498L94.1Very high92.3Very high9 Ų933.1 Ų33.15%0.04719%0.191CC..EExtended strand (participates in β ladder)trans-108.5140.2167.5-62.1177.3000108.1R490 R491 E563 L564 A566 L569 T627 I631R490-L498 CarbonylContact O-C 3.52Å; R490-L498 WeakPolarHBondContact O-CA 3.47Å; R491-L498 HydrophobicContact CB-CD2 4.43Å; R491-L498 HydrophobicContact CG-CD2 3.71Å; L498-E563 CarbonylContact O-C 3.55Å; L498-E563 WeakPolarHBondContact O-CA 3.2Å; L498-L564 HydrophobicContact CB-CB 4.35Å; L498-L564 PolarHBondContact N-O 2.89Å; L498-L564 PolarHBondContact O-N 2.79Å; L498-A566 HydrophobicContact CG-CB 4.04Å; L498-L569 HydrophobicContact CD1-CD2 3.77Å; L498-T627 HydrophobicContact CD1-CG2 4.23Å; L498-T627 HydrophobicContact CD2-CG2 4.38Å; L498-I631 HydrophobicContact CD1-CD1 4.29Å; L498-I631 HydrophobicContact CD1-CG1 4.49Å
499E95.5Very high92.1Very high8 Ų835.7 Ų35.74%0.03720%0.202CC..EExtended strand (participates in β ladder)trans-110.4122.9169.2-161.1-172.5-103.600108.9H470 V489 R490 L492 W562H470-E499 IonicContact CD2-OE2 2.95Å; H470-E499 IonicContact NE2-OE2 3.63Å; H470-E499 PolarHBondContact NE2-OE2 3.09Å; V489-E499 VanDerWaalsContact CA-O 3.29Å; V489-E499 WeakPolarHBondContact CA-O 3.48Å; R490-E499 HydrophobicContact CG-CB 3.79Å; R490-E499 IonicContact CZ-OE1 2.78Å; R490-E499 IonicContact CZ-OE2 3.78Å; R490-E499 PolarHBondContact N-O 3.4Å; R490-E499 IonicContact NE-OE1 2.66Å; R490-E499 IonicContact NE-OE2 3.57Å; R490-E499 PolarHBondContact NE-OE2 3.49Å; R490-E499 IonicContact NH2-OE1 3.54Å; R490-E499 PolarHBondContact NH2-OE1 3.32Å; R490-E499 IonicContact NH2-OE2 3.8Å; R490-E499 PolarHBondContact NH2-OE2 2.79Å; R490-E499 PolarHBondContact O-N 3.38Å; L492-E499 HydrophobicContact CD1-CB 3.76Å; L492-E499 HydrophobicContact CD1-CG 4.27Å; L492-E499 HydrophobicContact CG-CB 4.18Å; E499-W562 CarbonylContact C-O 3.48Å; E499-W562 VanDerWaalsContact CA-O 3.25Å; E499-W562 WeakPolarHBondContact CA-O 3.3Å
500L96.3Very high91.9Very high0 Ų036.3 Ų36.30%020%0.204CC..EExtended strand (participates in β ladder)trans-104.1128.9172.2174.666.9000108.2M561 W562 L564 L628 I631L500-M561 CarbonylContact O-C 3.59Å; L500-M561 VanDerWaalsContact O-CA 3.27Å; L500-M561 WeakPolarHBondContact O-CA 3.31Å; L500-W562 HydrophobicContact CB-CE3 4.27Å; L500-W562 HydrophobicContact CD2-CE3 4Å; L500-W562 HydrophobicContact CD2-CZ3 4.31Å; L500-W562 HydrophobicContact CG-CE3 4.01Å; L500-W562 HydrophobicContact CG-CZ3 4.36Å; L500-W562 PolarHBondContact N-O 2.95Å; L500-W562 PolarHBondContact O-N 2.73Å; L500-L564 HydrophobicContact CB-CD1 4.33Å; L500-L628 HydrophobicContact CD1-CD1 3.57Å; L500-I631 HydrophobicContact CD2-CG2 4.18Å
501G97Very high92Very high0 Ų033.1 Ų33.10%019%0.192CC..EExtended strand (participates in β ladder)trans-118.9130.6174.900000111.6L487 S488L487-G501 WeakPolarHBondContact CA-O 3.44Å; S488-G501 PolarHBondContact N-O 3.42Å; S488-G501 PolarHBondContact O-N 2.92Å
502V97.8Very high91.9Very high0 Ų035.1 Ų35.10%020%0.199CC..EExtended strand (participates in β ladder)trans-113.6120.8165.9170.90000107.2L487 I504 S559 V560 W562 C680 M681 A684L487-V502 HydrophobicContact CD2-CB 4.46Å; L487-V502 HydrophobicContact CD2-CG2 3.68Å; V502-I504 HydrophobicContact CG1-CD1 3.7Å; V502-I504 HydrophobicContact CG1-CG1 4.16Å; V502-S559 WeakPolarHBondContact O-CA 3.39Å; V502-V560 PolarHBondContact N-O 2.97Å; V502-V560 PolarHBondContact O-N 3.37Å; V502-W562 HydrophobicContact CB-CH2 4.26Å; V502-W562 HydrophobicContact CB-CZ3 4Å; V502-W562 HydrophobicContact CG2-CH2 4.08Å; V502-W562 HydrophobicContact CG2-CZ3 3.7Å; V502-C680 HydrophobicContact CG2-CB 4.24Å; V502-M681 HydrophobicContact CG1-CE 3.8Å; V502-M681 HydrophobicContact CG1-SD 4.03Å; V502-M681 HydrophobicContact CG2-CE 4.25Å; V502-A684 HydrophobicContact CB-CB 4.24Å; V502-A684 HydrophobicContact CG1-CB 3.9Å; V502-A684 HydrophobicContact CG2-CB 4.38Å
503H97.3Very high91.8Very high0 Ų038.5 Ų38.50%021%0.214CC..EExtended strand (participates in β ladder)trans-120.4118.7-175.5-39.3-80.6000109.5T486 S488 L549 A557 S559 I581T486-H503 PolarHBondContact N-O 2.89Å; T486-H503 PolarHBondContact O-N 2.91Å; T486-H503 WeakPolarHBondContact OG1-CB 3.29Å; T486-H503 PolarHBondContact OG1-O 2.87Å; S488-H503 WeakPolarHBondContact CB-NE2 3.48Å; S488-H503 PolarHBondContact OG-NE2 2.86Å; H503-L549 WeakPolarHBondContact O-CD1 3.41Å; H503-A557 HydrophobicContact CB-CB 4.08Å; H503-S559 WeakPolarHBondContact CB-OG 3.21Å; H503-S559 WeakPolarHBondContact ND1-CB 3.38Å; H503-S559 PolarHBondContact ND1-OG 3.19Å; H503-I581 HydrophobicContact CB-CD1 3.95Å; H503-I581 HydrophobicContact CB-CG2 4.41Å
504I97.8Very high92Very high0 Ų037.5 Ų37.50%021%0.211CC..EExtended strand (participates in β ladder)trans-111143-174-53.2-56.8000110.1D484 D485 V502 D506 A557 M558 M681 F791 T792 P794D484-I504 CarbonylContact O-C 3.51Å; D484-I504 WeakPolarHBondContact O-CA 3.37Å; D485-I504 HydrophobicContact CB-CD1 3.56Å; V502-I504 HydrophobicContact CG1-CD1 3.7Å; V502-I504 HydrophobicContact CG1-CG1 4.16Å; I504-D506 PolarHBondContact O-N 3.33Å; I504-A557 CarbonylContact O-C 3.55Å; I504-A557 WeakPolarHBondContact O-CA 3.46Å; I504-A557 WeakPolarHBondContact O-CB 3.39Å; I504-M558 PolarHBondContact N-O 2.94Å; I504-M558 PolarHBondContact O-N 3.22Å; I504-M681 HydrophobicContact CD1-SD 4.14Å; I504-F791 HydrophobicContact CB-CE1 4.12Å; I504-F791 HydrophobicContact CB-CZ 4.34Å; I504-F791 HydrophobicContact CG1-CD1 3.93Å; I504-F791 HydrophobicContact CG1-CE1 3.46Å; I504-F791 VanDerWaalsContact CG1-CE1 3.46Å; I504-F791 HydrophobicContact CG1-CZ 4.17Å; I504-T792 HydrophobicContact CD1-CG2 4.04Å; I504-T792 HydrophobicContact CG1-CG2 4.5Å; I504-P794 HydrophobicContact CG2-CG 3.84Å
505A96.3Very high92.4Very high0 Ų034.3 Ų34.30%017%0.174CC..EExtended strand (participates in β ladder)trans-49.3126.6176.200000113D484 V507 C547 L549 P794 I795 H804D484-A505 PolarHBondContact O-N 3.28Å; A505-V507 VanDerWaalsContact C-N 3.32Å; A505-V507 HydrophobicContact CB-CG2 4.42Å; A505-V507 PolarHBondContact O-N 3.1Å; A505-C547 HydrophobicContact CB-CB 4.39Å; A505-C547 WeakPolarHBondContact CB-O 3.25Å; A505-L549 HydrophobicContact CB-CD2 4.46Å; A505-L549 HydrophobicContact CB-CG 4.35Å; A505-P794 WeakPolarHBondContact O-CG 3.34Å; A505-I795 HydrophobicContact CB-CD1 4.08Å; A505-I795 HydrophobicContact CB-CG1 4.29Å; A505-H804 PolarHBondContact O-CE1 2.79Å
506D94.8Very high92.7Very high0 Ų035.3 Ų35.30%017%0.173CC..  trans-86.369.3179-172.47.4000112.1R463 I504 T508 H509 Y556 R578R463-D506 IonicContact CZ-OD2 3.28Å; R463-D506 VanDerWaalsContact CZ-OD2 3.23Å; R463-D506 IonicContact NH1-OD2 2.87Å; R463-D506 PolarHBondContact NH1-OD2 3.45Å; R463-D506 IonicContact NH2-OD2 3.92Å; R463-D506 PolarHBondContact NH2-OD2 3.17Å; I504-D506 PolarHBondContact O-N 3.33Å; D506-T508 PolarHBondContact O-N 3.18Å; D506-T508 PolarHBondContact OD1-OG1 2.84Å; D506-H509 PolarHBondContact O-N 2.96Å; D506-H509 PolarHBondContact OD1-N 3.12Å; D506-Y556 PolarHBondContact N-O 2.74Å; D506-Y556 VanDerWaalsContact N-O 3.1Å; D506-R578 IonicContact OD1-NE 3.14Å; D506-R578 IonicContact OD1-NH2 3.08Å; D506-R578 WeakPolarHBondContact OD2-CD 3.38Å; D506-R578 IonicContact OD2-CZ 3.68Å; D506-R578 IonicContact OD2-NE 3.63Å; D506-R578 PolarHBondContact OD2-NE 2.67Å
507V94.6Very high92.8Very high0 Ų027.8 Ų27.80%014%0.141CC..Hα-helixtrans-60.8-33178.1177.60000111.8A505 H509 F510 V511 L538 C547 P794 I795 M801A505-V507 VanDerWaalsContact C-N 3.32Å; A505-V507 HydrophobicContact CB-CG2 4.42Å; A505-V507 PolarHBondContact O-N 3.1Å; V507-H509 PolarHBondContact O-N 3.03Å; V507-F510 PolarHBondContact O-N 2.73Å; V507-V511 HydrophobicContact CG1-CG2 4.05Å; V507-V511 PolarHBondContact O-N 3.2Å; V507-L538 HydrophobicContact CG1-CD1 3.52Å; V507-L538 HydrophobicContact CG2-CD1 4.46Å; V507-C547 HydrophobicContact CG2-CB 4Å; V507-P794 HydrophobicContact CB-CB 4.07Å; V507-P794 HydrophobicContact CB-CG 4.37Å; V507-P794 HydrophobicContact CG2-CB 3.87Å; V507-P794 HydrophobicContact CG2-CG 3.8Å; V507-I795 HydrophobicContact CG2-CG1 3.81Å; V507-M801 HydrophobicContact CG1-CE 3.99Å; V507-M801 HydrophobicContact CG1-CG 4.26Å; V507-M801 HydrophobicContact CG1-SD 4.02Å
508T93.3Very high92.8Very high14 Ų1426.1 Ų26.19%0.08613%0.132CC..Hα-helixtrans-67.2-17.1-176.165.90000114.2D506 R578 M801 H804 R805D506-T508 PolarHBondContact O-N 3.18Å; D506-T508 PolarHBondContact OD1-OG1 2.84Å; T508-R578 PolarHBondContact OG1-NH2 2.91Å; T508-M801 HydrophobicContact CG2-CB 4.34Å; T508-M801 WeakPolarHBondContact CG2-O 3.22Å; T508-H804 HydrophobicContact CG2-CB 3.37Å; T508-R805 HydrophobicContact CG2-CG 4.05Å
509H91.6Very high92.5Very high55 Ų5529 Ų2926%0.25515%0.147SC..Hα-helixtrans-69.5-41.2171178.274.2000111.8E459 R463 D506 V507 Y556E459-H509 IonicContact OE1-CE1 3.38Å; E459-H509 IonicContact OE1-ND1 3.79Å; E459-H509 IonicContact OE2-CE1 3.64Å; E459-H509 IonicContact OE2-ND1 2.7Å; R463-H509 PolarHBondContact NH2-ND1 2.69Å; D506-H509 PolarHBondContact O-N 2.96Å; D506-H509 PolarHBondContact OD1-N 3.12Å; V507-H509 PolarHBondContact O-N 3.03Å; H509-Y556 AromaticContact CD2-CD2 3.6Å; H509-Y556 AromaticContact CD2-CE2 3.6Å; H509-Y556 AromaticContact NE2-CD2 4Å; H509-Y556 AromaticContact NE2-CE2 3.5Å; H509-Y556 WeakPolarHBondContact NE2-CE2 3.47Å
510F91.5Very high92.2Very high28 Ų2829 Ų2912%0.12315%0.147CC..Hα-helixtrans-83.5-35.9-177.8-59.1-74.8000112.6P445 W453 V507 L542 C547 Y556P445-F510 HydrophobicContact CG-CD1 3.75Å; P445-F510 HydrophobicContact CG-CE1 4.16Å; W453-F510 HydrophobicContact CH2-CZ 4.43Å; W453-F510 HydrophobicContact CZ2-CE1 4Å; W453-F510 AromaticContact CZ2-CZ 3.86Å; W453-F510 HydrophobicContact CZ2-CZ 3.86Å; V507-F510 PolarHBondContact O-N 2.73Å; F510-L542 HydrophobicContact CB-CD2 3.84Å; F510-L542 HydrophobicContact CG-CD2 4.1Å; F510-C547 VanDerWaalsContact CD2-SG 3.54Å; F510-Y556 HydrophobicContact CE2-CD2 4.31Å; F510-Y556 AromaticContact CZ-CD2 3.91Å; F510-Y556 HydrophobicContact CZ-CD2 3.91Å; F510-Y556 HydrophobicContact CZ-CE2 4.38Å
511V92.9Very high92.1Very high1 Ų129 Ų291%0.00615%0.147CC..SBendtrans-105.196.9-176.7-172.90000110.8V507 T517 D518 L538 L542 M801 R805V507-V511 HydrophobicContact CG1-CG2 4.05Å; V507-V511 PolarHBondContact O-N 3.2Å; V511-T517 HydrophobicContact CG1-CG2 4.24Å; V511-T517 HydrophobicContact CG2-CG2 4.21Å; V511-D518 HydrophobicContact CG1-CB 3.85Å; V511-L538 HydrophobicContact CG2-CD2 4.26Å; V511-L542 HydrophobicContact CG2-CD1 3.58Å; V511-M801 HydrophobicContact CB-CE 3.68Å; V511-M801 HydrophobicContact CG1-CE 3.69Å; V511-M801 HydrophobicContact CG2-CE 4.34Å; V511-R805 PolarHBondContact O-NH2 3.09Å
512R90Very high91.9Very high198 Ų19833.7 Ų33.775%0.74717%0.165SC*.  trans-69.2144.1177-64.2-175.9-174.7165.82.7111.1G514 S515 D518R512-G514 PolarHBondContact O-N 3.29Å; R512-S515 WeakPolarHBondContact O-CB 3.37Å; R512-S515 PolarHBondContact O-N 2.83Å; R512-D518 VanDerWaalsContact O-CB 3.28Å; R512-D518 WeakPolarHBondContact O-CB 3.42Å
513E87.6Confident91.5Very high110 Ų11035.8 Ų35.851%0.51418%0.179SC..THydrogen-bonded Turntrans-60.8132175.3-176164.9-15900111S515E513-S515 VanDerWaalsContact C-N 3.33Å; E513-S515 PolarHBondContact O-N 2.88Å
514G84.6Confident91.3Very high51 Ų5136.2 Ų36.253%0.52618%0.181SC..THydrogen-bonded Turntrans81.6-0.6-178.400000115.9R512 D518R512-G514 PolarHBondContact O-N 3.29Å; G514-D518 PolarHBondContact N-OD2 2.87Å
515S86.8Confident91.2Very high22 Ų2236.3 Ų36.315%0.15418%0.182CC..SBendtrans-69164.4173.198.20000112.1E443 R512 E513 T517 D518 L519E443-S515 WeakPolarHBondContact OE2-CB 3.49Å; E443-S515 PolarHBondContact OE2-OG 3.41Å; R512-S515 WeakPolarHBondContact O-CB 3.37Å; R512-S515 PolarHBondContact O-N 2.83Å; E513-S515 VanDerWaalsContact C-N 3.33Å; E513-S515 PolarHBondContact O-N 2.88Å; S515-T517 PolarHBondContact O-N 3.11Å; S515-T517 PolarHBondContact OG-N 3.39Å; S515-D518 PolarHBondContact O-N 3.49Å; S515-D518 VanDerWaalsContact O-N 3.11Å; S515-D518 PolarHBondContact OG-N 3.33Å; S515-L519 WeakPolarHBondContact O-CG 3.48Å; S515-L519 PolarHBondContact O-N 3.07Å
516L87Confident91.1Very high47 Ų4737.3 Ų37.325%0.24619%0.188CC..Hα-helixtrans-61.6-35.7178.7-63.4176.8000111.8P108 A439 Q440 E443 E520P108-L516 HydrophobicContact CB-CD2 4.11Å; P108-L516 HydrophobicContact CG-CD2 3.56Å; A439-L516 HydrophobicContact CB-CD1 3.65Å; Q440-L516 HydrophobicContact CG-CB 3.8Å; Q440-L516 PolarHBondContact NE2-O 3.43Å; E443-L516 VanDerWaalsContact OE1-CB 3.29Å; E443-L516 WeakPolarHBondContact OE1-CB 3.46Å; E443-L516 WeakPolarHBondContact OE1-CG 3.25Å; E443-L516 PolarHBondContact OE1-N 3.07Å; E443-L516 PolarHBondContact OE2-N 3.19Å; L516-E520 PolarHBondContact O-N 2.86Å
517T89.5Confident91.1Very high1 Ų137.5 Ų37.51%0.00619%0.189CC..Hα-helixtrans-68.6-39.1173.9-55.40000112.1E443 M444 V511 S515 E520 A521 L538 P539E443-T517 PolarHBondContact OE2-N 2.9Å; E443-T517 VanDerWaalsContact OE2-N 3.12Å; E443-T517 PolarHBondContact OE2-OG1 3.37Å; M444-T517 HydrophobicContact CE-CG2 4.04Å; M444-T517 WeakPolarHBondContact CE-OG1 3.37Å; V511-T517 HydrophobicContact CG1-CG2 4.24Å; V511-T517 HydrophobicContact CG2-CG2 4.21Å; S515-T517 PolarHBondContact O-N 3.11Å; S515-T517 PolarHBondContact OG-N 3.39Å; T517-E520 PolarHBondContact O-N 3.09Å; T517-A521 VanDerWaalsContact O-CB 3.3Å; T517-A521 WeakPolarHBondContact O-CB 3.16Å; T517-A521 PolarHBondContact O-N 3.1Å; T517-L538 HydrophobicContact CG2-CD2 4.13Å; T517-P539 HydrophobicContact CG2-CG 4.3Å
518D91.5Very high91.1Very high4 Ų437.6 Ų37.62%0.02119%0.189CC..Hα-helixtrans-64.4-41.5175.7-17865000112.3V511 R512 G514 S515 E520 A521 R522 Y798 R805V511-D518 HydrophobicContact CG1-CB 3.85Å; R512-D518 VanDerWaalsContact O-CB 3.28Å; R512-D518 WeakPolarHBondContact O-CB 3.42Å; G514-D518 PolarHBondContact N-OD2 2.87Å; S515-D518 PolarHBondContact O-N 3.49Å; S515-D518 VanDerWaalsContact O-N 3.11Å; S515-D518 PolarHBondContact OG-N 3.33Å; D518-E520 VanDerWaalsContact C-N 3.33Å; D518-E520 PolarHBondContact O-N 2.84Å; D518-A521 PolarHBondContact O-N 3.03Å; D518-R522 VanDerWaalsContact O-CB 3.26Å; D518-R522 WeakPolarHBondContact O-CB 3.35Å; D518-R522 PolarHBondContact O-N 3.02Å; D518-Y798 VanDerWaalsContact OD1-CE2 3.3Å; D518-Y798 WeakPolarHBondContact OD1-CE2 3.49Å; D518-Y798 PolarHBondContact OD1-OH 3.11Å; D518-Y798 VanDerWaalsContact OD1-OH 3.13Å; D518-Y798 PolarHBondContact OD2-OH 3.44Å; D518-R805 IonicContact OD1-CZ 3.87Å; D518-R805 VanDerWaalsContact OD1-CZ 3.25Å; D518-R805 IonicContact OD1-NH1 2.75Å; D518-R805 PolarHBondContact OD1-NH1 2.9Å; D518-R805 IonicContact OD1-NH2 3.24Å; D518-R805 PolarHBondContact OD1-NH2 2.96Å; D518-R805 IonicContact OD2-NH1 2.53Å
519L89.2Confident90.9Very high71 Ų7140.5 Ų40.537%0.37220%0.199SC..Hα-helixtrans-63.3-39.6177.4-68.2176000112P108 S515 S523P108-L519 HydrophobicContact CG-CD1 4.02Å; S515-L519 WeakPolarHBondContact O-CG 3.48Å; S515-L519 PolarHBondContact O-N 3.07Å; L519-S523 WeakPolarHBondContact O-CB 3.28Å; L519-S523 PolarHBondContact O-N 3.32Å
520E89.4Confident90.9Very high6 Ų638.7 Ų38.73%0.02819%0.191CC..Hα-helixtrans-71.3-42.7175.8-173.962.5-156.900111.7R109 F436 Q440 L516 T517 D518 R522 S523 R524R109-E520 IonicContact NH1-OE2 2.84Å; R109-E520 PolarHBondContact NH1-OE2 2.76Å; R109-E520 VanDerWaalsContact NH1-OE2 3.09Å; F436-E520 HydrophobicContact CD1-CG 4.21Å; F436-E520 HydrophobicContact CE1-CG 3.99Å; Q440-E520 VanDerWaalsContact NE2-CB 3.3Å; L516-E520 PolarHBondContact O-N 2.86Å; T517-E520 PolarHBondContact O-N 3.09Å; D518-E520 VanDerWaalsContact C-N 3.33Å; D518-E520 PolarHBondContact O-N 2.84Å; E520-R522 VanDerWaalsContact C-N 3.3Å; E520-R522 PolarHBondContact O-N 3.05Å; E520-S523 WeakPolarHBondContact O-CB 3.48Å; E520-S523 PolarHBondContact O-N 3Å; E520-S523 VanDerWaalsContact O-N 3.11Å; E520-R524 WeakPolarHBondContact O-CG 3.41Å; E520-R524 PolarHBondContact O-N 3.3Å; E520-R524 IonicContact OE1-CZ 3.87Å; E520-R524 VanDerWaalsContact OE1-CZ 3.28Å; E520-R524 IonicContact OE1-NE 3.99Å; E520-R524 PolarHBondContact OE1-NE 2.92Å; E520-R524 IonicContact OE1-NH2 2.62Å; E520-R524 PolarHBondContact OE1-NH2 2.8Å
521A93.1Very high90.6Very high0 Ų038.8 Ų38.80%020%0.197CC..Hα-helixtrans-59.6-41.317400000111.3T517 D518 A525 M537 L538 Y798T517-A521 VanDerWaalsContact O-CB 3.3Å; T517-A521 WeakPolarHBondContact O-CB 3.16Å; T517-A521 PolarHBondContact O-N 3.1Å; D518-A521 PolarHBondContact O-N 3.03Å; A521-A525 VanDerWaalsContact O-CA 3.32Å; A521-A525 WeakPolarHBondContact O-CA 3.19Å; A521-A525 PolarHBondContact O-N 3.47Å; A521-M537 HydrophobicContact CB-CG 3.98Å; A521-M537 HydrophobicContact CB-SD 4.39Å; A521-L538 HydrophobicContact CB-CD2 3.85Å; A521-Y798 HydrophobicContact CB-CD2 3.95Å; A521-Y798 HydrophobicContact CB-CE2 4.27Å
522R92.7Very high90.2Very high100 Ų10040.5 Ų40.538%0.37721%0.206SC..Hα-helixtrans-63.2-42.9172.9-176176.4175.9169.13111.7D518 E520 A525 Y798 L832 H835D518-R522 VanDerWaalsContact O-CB 3.26Å; D518-R522 WeakPolarHBondContact O-CB 3.35Å; D518-R522 PolarHBondContact O-N 3.02Å; E520-R522 VanDerWaalsContact C-N 3.3Å; E520-R522 PolarHBondContact O-N 3.05Å; R522-A525 PolarHBondContact O-N 2.8Å; R522-Y798 HydrophobicContact CB-CD1 4.39Å; R522-Y798 HydrophobicContact CB-CD2 4.4Å; R522-Y798 HydrophobicContact CB-CE1 3.89Å; R522-Y798 HydrophobicContact CB-CE2 3.88Å; R522-Y798 HydrophobicContact CG-CD1 4.39Å; R522-Y798 HydrophobicContact CG-CE1 3.8Å; R522-L832 HydrophobicContact CG-CD1 4.1Å; R522-H835 PolarHBondContact O-CD2 3.12Å; R522-H835 VanDerWaalsContact O-CD2 3.3Å; R522-H835 PolarHBondContact O-NE2 3.09Å
523S90.3Very high90.1Very high43 Ų4334 Ų3430%0.30118%0.181SC..Hα-helixtrans-61.4-46.1178.4-177.80000112.1L519 E520 H835 R839L519-S523 WeakPolarHBondContact O-CB 3.28Å; L519-S523 PolarHBondContact O-N 3.32Å; E520-S523 WeakPolarHBondContact O-CB 3.48Å; E520-S523 PolarHBondContact O-N 3Å; E520-S523 VanDerWaalsContact O-N 3.11Å; S523-H835 PolarHBondContact O-NE2 3.34Å; S523-R839 PolarHBondContact O-NE 3.24Å
524R93.2Very high90.2Very high10 Ų1031.7 Ų31.74%0.03817%0.168CC..Hα-helixtrans-71.6-39.1177.3-66.3-178.4-169.3-159.62112.3P434 E520 T526 Y528 D536 M537P434-R524 PolarHBondContact O-NH2 3.5Å; E520-R524 WeakPolarHBondContact O-CG 3.41Å; E520-R524 PolarHBondContact O-N 3.3Å; E520-R524 IonicContact OE1-CZ 3.87Å; E520-R524 VanDerWaalsContact OE1-CZ 3.28Å; E520-R524 IonicContact OE1-NE 3.99Å; E520-R524 PolarHBondContact OE1-NE 2.92Å; E520-R524 IonicContact OE1-NH2 2.62Å; E520-R524 PolarHBondContact OE1-NH2 2.8Å; R524-T526 PolarHBondContact O-N 3.33Å; R524-Y528 HydrophobicContact CB-CE2 4.47Å; R524-Y528 PolarHBondContact O-OH 3.44Å; R524-D536 WeakPolarHBondContact CD-O 3.13Å; R524-D536 PolarHBondContact NH1-O 2.8Å; R524-M537 HydrophobicContact CB-CG 4.32Å
525A95.2Very high90.5Very high2 Ų231.8 Ų31.82%0.01715%0.153CC..  trans59.2-29.7-176.800000116.9A521 R522 Y798 I836 R839A521-A525 VanDerWaalsContact O-CA 3.32Å; A521-A525 WeakPolarHBondContact O-CA 3.19Å; A521-A525 PolarHBondContact O-N 3.47Å; R522-A525 PolarHBondContact O-N 2.8Å; A525-Y798 WeakPolarHBondContact O-CB 3.47Å; A525-Y798 PolarHBondContact O-N 2.86Å; A525-I836 HydrophobicContact CB-CG1 4.2Å; A525-R839 HydrophobicContact CB-CB 3.76Å; A525-R839 HydrophobicContact CB-CG 3.86Å
526T95.3Very high90.8Very high20 Ų2032.1 Ų32.112%0.12315%0.153CC..BIsolated β-bridgetrans-147.7151.1177.2-171.90000110.4R524 Y528 R796 A843R524-T526 PolarHBondContact O-N 3.33Å; T526-Y528 HydrophobicContact CG2-CE1 4.24Å; T526-R796 CarbonylContact C-O 3.55Å; T526-R796 VanDerWaalsContact CA-O 3.25Å; T526-R796 WeakPolarHBondContact CA-O 3.46Å; T526-R796 PolarHBondContact OG1-O 3.34Å; T526-A843 HydrophobicContact CG2-CB 3.74Å
527T94.5Very high91.2Very high4 Ų429.9 Ų29.93%0.02514%0.141CC..  trans-66.9138.4165.6-66.60000109.5Y529 R534 Y535 M537 R796T527-Y529 HydrophobicContact CG2-CD2 4.1Å; T527-Y529 HydrophobicContact CG2-CE1 4.19Å; T527-Y529 HydrophobicContact CG2-CE2 3.62Å; T527-R534 HydrophobicContact CG2-CB 4.32Å; T527-Y535 WeakPolarHBondContact CA-O 3.29Å; T527-Y535 WeakPolarHBondContact CG2-O 3.48Å; T527-M537 PolarHBondContact OG1-N 2.82Å; T527-M537 VanDerWaalsContact OG1-N 3.1Å; T527-R796 PolarHBondContact N-O 2.92Å; T527-R796 WeakPolarHBondContact OG1-CA 3.37Å
528Y93.7Very high91.4Very high3 Ų329.9 Ų29.91%0.01214%0.141CC..EExtended strand (participates in β ladder)trans-99.5109.2178.5-56.6-80.8000109.9I431 V433 R524 T526 R534 Y535 A843I431-Y528 HydrophobicContact CB-CE1 4.41Å; I431-Y528 HydrophobicContact CD1-CD1 3.62Å; I431-Y528 HydrophobicContact CD1-CE1 3.56Å; I431-Y528 HydrophobicContact CD1-CG 4.47Å; I431-Y528 HydrophobicContact CG1-CD1 4.17Å; I431-Y528 HydrophobicContact CG1-CE1 3.64Å; I431-Y528 HydrophobicContact CG2-CD1 4.11Å; I431-Y528 HydrophobicContact CG2-CD2 3.9Å; I431-Y528 HydrophobicContact CG2-CE1 3.89Å; I431-Y528 HydrophobicContact CG2-CE2 3.7Å; I431-Y528 HydrophobicContact CG2-CG 4.12Å; V433-Y528 HydrophobicContact CG1-CD2 4.49Å; V433-Y528 HydrophobicContact CG2-CD2 4.4Å; R524-Y528 HydrophobicContact CB-CE2 4.47Å; R524-Y528 PolarHBondContact O-OH 3.44Å; T526-Y528 HydrophobicContact CG2-CE1 4.24Å; Y528-R534 CarbonylContact O-C 3.5Å; Y528-R534 WeakPolarHBondContact O-CA 3.47Å; Y528-Y535 PolarHBondContact N-O 2.81Å; Y528-Y535 PolarHBondContact O-N 3.04Å; Y528-A843 HydrophobicContact CD1-CB 3.52Å; Y528-A843 HydrophobicContact CE1-CB 3.74Å
529Y90.1Very high91.4Very high75 Ų7529.7 Ų29.729%0.29414%0.14SC..EExtended strand (participates in β ladder)trans-90.8119.3174.5-63.4-89.1000109.6D482 T527 R534 R796 Q847D482-Y529 PolarHBondContact OD2-OH 2.93Å; T527-Y529 HydrophobicContact CG2-CD2 4.1Å; T527-Y529 HydrophobicContact CG2-CE1 4.19Å; T527-Y529 HydrophobicContact CG2-CE2 3.62Å; Y529-R534 HydrophobicContact CD1-CB 3.89Å; Y529-R534 HydrophobicContact CE1-CB 4.15Å; Y529-R796 WeakPolarHBondContact OH-CD 3.01Å; Y529-Q847 WeakPolarHBondContact O-CB 3.42Å; Y529-Q847 WeakPolarHBondContact O-CG 3.44Å
530L90.6Very high91.4Very high17 Ų1729.3 Ų29.39%0.08915%0.147CC..  trans-103.6176168.8-55.6-172.4000109V422 L426 D532 R533 Y535 A846V422-L530 HydrophobicContact CG1-CD1 3.6Å; L426-L530 HydrophobicContact CD2-CD1 4.33Å; L530-D532 PolarHBondContact O-N 2.71Å; L530-R533 CarbonylContact C-O 3.59Å; L530-R533 WeakPolarHBondContact CA-O 3.38Å; L530-R533 HydrophobicContact CB-CG 4.41Å; L530-R533 WeakPolarHBondContact CB-O 3.48Å; L530-R533 HydrophobicContact CD1-CG 4.32Å; L530-R533 PolarHBondContact N-O 3.03Å; L530-Y535 HydrophobicContact CD1-CD2 4.31Å; L530-Y535 HydrophobicContact CD1-CE2 3.76Å; L530-Y535 HydrophobicContact CG-CE2 4.47Å; L530-A846 HydrophobicContact CD2-CB 4.38Å
531A86.2Confident91.4Very high29 Ų2931.5 Ų31.524%0.2416%0.161CC..SBendtrans-66.2-34.7-176.600000113.6S850 F854A531-S850 PolarHBondContact N-OG 2.9Å; A531-F854 HydrophobicContact CB-CB 4.17Å; A531-F854 HydrophobicContact CB-CD1 4.07Å; A531-F854 HydrophobicContact CB-CD2 3.46Å; A531-F854 VanDerWaalsContact CB-CD2 3.46Å; A531-F854 HydrophobicContact CB-CE1 4.39Å; A531-F854 HydrophobicContact CB-CE2 3.81Å; A531-F854 HydrophobicContact CB-CG 3.61Å; A531-F854 HydrophobicContact CB-CZ 4.28Å
532D84.4Confident91.2Very high37 Ų3731.5 Ų31.520%0.19816%0.161CC..SBendtrans-104.4-26.9-178.765.1-38.4000114.8L530 L656 F854L530-D532 PolarHBondContact O-N 2.71Å; D532-L656 HydrophobicContact CB-CD1 3.66Å; D532-F854 HydrophobicContact CB-CE1 3.91Å; D532-F854 HydrophobicContact CB-CE2 4.39Å; D532-F854 HydrophobicContact CB-CZ 3.47Å; D532-F854 VanDerWaalsContact CB-CZ 3.47Å
533R86.8Confident90.9Very high61 Ų6126.8 Ų26.823%0.2314%0.144CC..  trans-143.7166.9-172.773.7-171.168.4-176.3-2112.5E419 L530 Y535E419-R533 IonicContact OE1-CZ 3.81Å; E419-R533 IonicContact OE1-NH1 3.42Å; E419-R533 PolarHBondContact OE1-NH1 2.85Å; E419-R533 IonicContact OE1-NH2 2.76Å; E419-R533 PolarHBondContact OE1-NH2 2.79Å; E419-R533 IonicContact OE2-CZ 3.47Å; E419-R533 IonicContact OE2-NH1 3.54Å; E419-R533 PolarHBondContact OE2-NH1 3.05Å; E419-R533 IonicContact OE2-NH2 3.63Å; L530-R533 CarbonylContact C-O 3.59Å; L530-R533 WeakPolarHBondContact CA-O 3.38Å; L530-R533 HydrophobicContact CB-CG 4.41Å; L530-R533 WeakPolarHBondContact CB-O 3.48Å; L530-R533 HydrophobicContact CD1-CG 4.32Å; L530-R533 PolarHBondContact N-O 3.03Å; R533-Y535 HydrophobicContact CG-CE2 4.02Å
534R89.8Confident90.7Very high62 Ų6226 Ų2623%0.23414%0.14CC..EExtended strand (participates in β ladder)trans-120.2148.716968.1179-169.3-128-21.5110.7E481 D482 T527 Y528 Y529 D536E481-R534 IonicContact OE2-CZ 3.73Å; E481-R534 IonicContact OE2-NH1 3.31Å; E481-R534 IonicContact OE2-NH2 3.71Å; E481-R534 PolarHBondContact OE2-NH2 2.82Å; D482-R534 IonicContact OD1-CZ 2.75Å; D482-R534 IonicContact OD1-NH1 3.68Å; D482-R534 PolarHBondContact OD1-NH1 3.47Å; T527-R534 HydrophobicContact CG2-CB 4.32Å; Y528-R534 CarbonylContact O-C 3.5Å; Y528-R534 WeakPolarHBondContact O-CA 3.47Å; Y529-R534 HydrophobicContact CD1-CB 3.89Å; Y529-R534 HydrophobicContact CE1-CB 4.15Å; R534-D536 WeakPolarHBondContact CD-OD1 3.41Å; R534-D536 WeakPolarHBondContact CG-OD1 3.27Å; R534-D536 IonicContact NE-OD1 3.09Å; R534-D536 PolarHBondContact NE-OD1 3.38Å; R534-D536 IonicContact NE-OD2 3.01Å
535Y92Very high90.3Very high53 Ų5327.8 Ų27.821%0.20815%0.15CC..EExtended strand (participates in β ladder)trans-112.2107.2167.7-66.3-89.5000109.4L426 V433 T527 Y528 L530 R533L426-Y535 HydrophobicContact CD1-CE2 3.76Å; L426-Y535 HydrophobicContact CD2-CE2 4.4Å; V433-Y535 HydrophobicContact CB-CD1 3.95Å; V433-Y535 HydrophobicContact CB-CG 4.31Å; V433-Y535 HydrophobicContact CG1-CD1 4.27Å; V433-Y535 HydrophobicContact CG1-CG 4.38Å; V433-Y535 HydrophobicContact CG2-CD1 4.12Å; V433-Y535 HydrophobicContact CG2-CG 4.12Å; T527-Y535 WeakPolarHBondContact CA-O 3.29Å; T527-Y535 WeakPolarHBondContact CG2-O 3.48Å; Y528-Y535 PolarHBondContact N-O 2.81Å; Y528-Y535 PolarHBondContact O-N 3.04Å; L530-Y535 HydrophobicContact CD1-CD2 4.31Å; L530-Y535 HydrophobicContact CD1-CE2 3.76Å; L530-Y535 HydrophobicContact CG-CE2 4.47Å; R533-Y535 HydrophobicContact CG-CE2 4.02Å
536D93Very high89.9Confident29 Ų2927.8 Ų27.816%0.15515%0.149CC..  trans-69.6144-171-61.8-35.3000112.5R524 R534 L538R524-D536 WeakPolarHBondContact CD-O 3.13Å; R524-D536 PolarHBondContact NH1-O 2.8Å; R534-D536 WeakPolarHBondContact CD-OD1 3.41Å; R534-D536 WeakPolarHBondContact CG-OD1 3.27Å; R534-D536 IonicContact NE-OD1 3.09Å; R534-D536 PolarHBondContact NE-OD1 3.38Å; R534-D536 IonicContact NE-OD2 3.01Å; D536-L538 VanDerWaalsContact C-N 3.34Å; D536-L538 WeakPolarHBondContact CB-O 3.33Å
537M94.7Very high89.7Confident1 Ų127 Ų271%0.00515%0.145CC..SBendtrans-68.5-36.3170.7-175.1-179.174.500111.6A521 R524 T527 P794 I795 Y798 M801A521-M537 HydrophobicContact CB-CG 3.98Å; A521-M537 HydrophobicContact CB-SD 4.39Å; R524-M537 HydrophobicContact CB-CG 4.32Å; T527-M537 PolarHBondContact OG1-N 2.82Å; T527-M537 VanDerWaalsContact OG1-N 3.1Å; M537-P794 WeakPolarHBondContact CE-O 3.43Å; M537-I795 WeakPolarHBondContact CE-O 3.38Å; M537-Y798 PolarHBondContact SD-N 3.47Å; M537-M801 HydrophobicContact CE-SD 3.8Å
538L93.2Very high89.5Confident0 Ų026.8 Ų26.80%014%0.143CC..SBendtrans-115.4157.3-177.4-61.5173.1000111F436 V507 V511 T517 A521 D536 M801F436-L538 WeakPolarHBondContact CZ-O 3.5Å; V507-L538 HydrophobicContact CG1-CD1 3.52Å; V507-L538 HydrophobicContact CG2-CD1 4.46Å; V511-L538 HydrophobicContact CG2-CD2 4.26Å; T517-L538 HydrophobicContact CG2-CD2 4.13Å; A521-L538 HydrophobicContact CB-CD2 3.85Å; D536-L538 VanDerWaalsContact C-N 3.34Å; D536-L538 WeakPolarHBondContact CB-O 3.33Å; L538-M801 HydrophobicContact CD2-SD 4.5Å
539P92.1Very high89.4Confident1 Ų126.7 Ų26.71%0.00614%0.143CC..  trans-58.9146.5173.9-2434.4000112.6F436 L441 M444 T517 V541 L542 S543F436-P539 HydrophobicContact CD1-CG 3.91Å; F436-P539 HydrophobicContact CD2-CB 4.25Å; F436-P539 HydrophobicContact CD2-CG 4.26Å; F436-P539 HydrophobicContact CE1-CG 4.05Å; F436-P539 HydrophobicContact CE2-CB 4.4Å; F436-P539 HydrophobicContact CE2-CG 4.39Å; F436-P539 HydrophobicContact CG-CB 4.42Å; F436-P539 HydrophobicContact CG-CG 4.01Å; F436-P539 HydrophobicContact CZ-CG 4.28Å; L441-P539 HydrophobicContact CD2-CB 4.1Å; M444-P539 HydrophobicContact SD-CB 4.27Å; M444-P539 HydrophobicContact SD-CG 3.97Å; T517-P539 HydrophobicContact CG2-CG 4.3Å; P539-V541 PolarHBondContact O-N 3.2Å; P539-V541 VanDerWaalsContact O-N 3.09Å; P539-L542 PolarHBondContact O-N 2.95Å; P539-S543 PolarHBondContact O-N 3.16Å; P539-S543 PolarHBondContact O-OG 3.2Å
540A88.9Confident89.3Confident62 Ų6225.1 Ų25.151%0.51214%0.14SC..Hα-helixtrans-52.9-34.2-179.200000113.7L542 S543 A544A540-L542 PolarHBondContact O-N 3.44Å; A540-S543 WeakPolarHBondContact CA-OG 3.3Å; A540-S543 PolarHBondContact O-N 3.28Å; A540-A544 WeakPolarHBondContact O-CB 3.37Å; A540-A544 PolarHBondContact O-N 3.27Å
541V89.3Confident89Confident52 Ų5225.7 Ų25.732%0.31515%0.149SC..Iπ-helixtrans-57.6-36.1176-176.50000111.9M444 P539 L546M444-V541 HydrophobicContact CB-CG1 4.35Å; P539-V541 PolarHBondContact O-N 3.2Å; P539-V541 VanDerWaalsContact O-N 3.09Å; V541-L546 HydrophobicContact CG1-CD1 4.06Å; V541-L546 WeakPolarHBondContact O-CB 3.4Å; V541-L546 WeakPolarHBondContact O-CG 3.33Å; V541-L546 PolarHBondContact O-N 2.87Å; V541-L546 VanDerWaalsContact O-N 3.09Å
542L89.2Confident89Confident0 Ų026.5 Ų26.50%016%0.161CC..Iπ-helixtrans-87.1-49.3175-65.6-179000111.5M444 F510 V511 P539 A540 L546 C547M444-L542 HydrophobicContact CE-CD1 3.95Å; M444-L542 HydrophobicContact SD-CD1 3.36Å; M444-L542 WeakPolarHBondContact SD-CD1 3.39Å; M444-L542 HydrophobicContact SD-CD2 4.13Å; M444-L542 HydrophobicContact SD-CG 3.47Å; M444-L542 WeakPolarHBondContact SD-CG 3.26Å; F510-L542 HydrophobicContact CB-CD2 3.84Å; F510-L542 HydrophobicContact CG-CD2 4.1Å; V511-L542 HydrophobicContact CG2-CD1 3.58Å; P539-L542 PolarHBondContact O-N 2.95Å; A540-L542 PolarHBondContact O-N 3.44Å; L542-L546 HydrophobicContact CD2-CB 4.32Å; L542-L546 HydrophobicContact CD2-CD1 4.14Å; L542-C547 WeakPolarHBondContact O-CB 3.35Å; L542-C547 PolarHBondContact O-N 3.37Å
543S87.3Confident89.2Confident2 Ų227.7 Ų27.71%0.01417%0.169CC..Iπ-helixtrans-71.7-41-169.956.30000114.1P539 A540 I795P539-S543 PolarHBondContact O-N 3.16Å; P539-S543 PolarHBondContact O-OG 3.2Å; A540-S543 WeakPolarHBondContact CA-OG 3.3Å; A540-S543 PolarHBondContact O-N 3.28Å; S543-I795 VanDerWaalsContact CB-CG2 3.45Å
544A84.6Confident89.4Confident27 Ų2726 Ų2622%0.22317%0.165CC..Iπ-helixtrans-98.9-7.5-173.900000113.7E481 A540E481-A544 HydrophobicContact CB-CB 4.35Å; A540-A544 WeakPolarHBondContact O-CB 3.37Å; A540-A544 PolarHBondContact O-N 3.27Å
545D86.3Confident89.6Confident47 Ų4723.5 Ų23.525%0.25116%0.156SC..Iπ-helixtrans-136.1-73.6-172.5-179.618.8000113.7N447 R555N447-D545 PolarHBondContact ND2-OD1 3.37Å; N447-D545 PolarHBondContact ND2-OD2 3.4Å; D545-R555 PolarHBondContact O-NE 2.94Å; D545-R555 PolarHBondContact O-NH2 3.16Å; D545-R555 IonicContact OD1-NH2 2.99Å; D545-R555 PolarHBondContact OD1-NH2 3.13Å; D545-R555 VanDerWaalsContact OD1-NH2 3.14Å
546L87.1Confident89.8Confident1 Ų121.2 Ų21.21%0.00515%0.147CC..Iπ-helixtrans-70-40.8-169.2-71178.6000114.3P445 N447 W453 V541 L542 R555P445-L546 HydrophobicContact CB-CD1 3.82Å; P445-L546 HydrophobicContact CG-CD1 3.81Å; N447-L546 HydrophobicContact CB-CD2 4.02Å; N447-L546 HydrophobicContact CB-CG 4.48Å; W453-L546 HydrophobicContact CB-CD2 3.58Å; W453-L546 HydrophobicContact CD2-CD2 3.83Å; W453-L546 HydrophobicContact CE3-CD2 4.29Å; W453-L546 HydrophobicContact CG-CD2 3.5Å; V541-L546 HydrophobicContact CG1-CD1 4.06Å; V541-L546 WeakPolarHBondContact O-CB 3.4Å; V541-L546 WeakPolarHBondContact O-CG 3.33Å; V541-L546 PolarHBondContact O-N 2.87Å; V541-L546 VanDerWaalsContact O-N 3.09Å; L542-L546 HydrophobicContact CD2-CB 4.32Å; L542-L546 HydrophobicContact CD2-CD1 4.14Å; L546-R555 WeakPolarHBondContact O-CD 3.47Å; L546-R555 PolarHBondContact O-NE 2.89Å
547C89.5Confident89.9Confident3 Ų319.9 Ų19.92%0.0214%0.139CC..SBendtrans-87.7-27.2177.9-59.30000111.9A505 V507 F510 L542 L549 I795A505-C547 HydrophobicContact CB-CB 4.39Å; A505-C547 WeakPolarHBondContact CB-O 3.25Å; V507-C547 HydrophobicContact CG2-CB 4Å; F510-C547 VanDerWaalsContact CD2-SG 3.54Å; L542-C547 WeakPolarHBondContact O-CB 3.35Å; L542-C547 PolarHBondContact O-N 3.37Å; C547-L549 PolarHBondContact O-N 3.44Å; C547-I795 HydrophobicContact CB-CD1 4.15Å; C547-I795 HydrophobicContact CB-CG1 4.11Å
548S91.1Very high90Very high0 Ų019.9 Ų19.90%014%0.139CC..SBendtrans-61.9129.3180-170.20000110.6E481 V483 L550 R555E481-S548 WeakPolarHBondContact O-CB 3.39Å; E481-S548 PolarHBondContact O-OG 3.13Å; V483-S548 PolarHBondContact N-OG 3.17Å; S548-L550 PolarHBondContact O-N 3.36Å; S548-L550 WeakPolarHBondContact OG-CD2 3.27Å; S548-R555 PolarHBondContact O-NE 3.42Å; S548-R555 VanDerWaalsContact O-NE 3.16Å
549L91.4Very high90.2Very high1 Ų119.9 Ų19.91%0.00514%0.139CC..  trans-81.254.2-176.6-58.5-178.2000112.1V483 D484 T486 H503 A505 C547 R555 I581V483-L549 HydrophobicContact CB-CB 4.49Å; V483-L549 HydrophobicContact CG1-CB 4.06Å; V483-L549 PolarHBondContact O-N 3.35Å; D484-L549 WeakPolarHBondContact O-CD1 3.36Å; T486-L549 HydrophobicContact CG2-CB 3.73Å; T486-L549 HydrophobicContact CG2-CD1 3.73Å; T486-L549 HydrophobicContact CG2-CG 4.4Å; H503-L549 WeakPolarHBondContact O-CD1 3.41Å; A505-L549 HydrophobicContact CB-CD2 4.46Å; A505-L549 HydrophobicContact CB-CG 4.35Å; C547-L549 PolarHBondContact O-N 3.44Å; L549-R555 HydrophobicContact CD2-CB 3.65Å; L549-R555 HydrophobicContact CD2-CG 4.31Å; L549-I581 HydrophobicContact CD1-CD1 3.97Å; L549-I581 HydrophobicContact CD2-CD1 3.95Å; L549-I581 HydrophobicContact CD2-CG1 4.48Å; L549-I581 HydrophobicContact CG-CD1 4.46Å
550L87Confident90.4Very high43 Ų4319.8 Ų19.823%0.22514%0.139CC..  trans-59.8150-176.8-60.1177.1000112.8S548S548-L550 PolarHBondContact O-N 3.36Å; S548-L550 WeakPolarHBondContact OG-CD2 3.27Å
551G85.9Confident90.8Very high28 Ų2817 Ų1729%0.28912%0.115SC..BIsolated β-bridgetrans-62.6136.8177.700000113.4V553G551-V553 VanDerWaalsContact C-N 3.32Å; G551-V553 PolarHBondContact O-N 3Å
552G85.1Confident91.2Very high47 Ų4714.6 Ų14.649%0.48510%0.1SC..THydrogen-bonded Turntrans80.6-1.6172.800000116.2S583G552-S583 PolarHBondContact N-O 3.1Å
553V88.8Confident91.5Very high62 Ų6217 Ų1738%0.37611%0.112SC..SBendtrans-117148-175-162.60000111.8G551G551-V553 VanDerWaalsContact C-N 3.32Å; G551-V553 PolarHBondContact O-N 3Å
554D91.9Very high91.9Very high25 Ų2517.1 Ų17.113%0.13411%0.112CC..EExtended strand (participates in β ladder)trans-75.2129.8175.9-69.97.9000110.4R467 L580 I581 R582R467-D554 VanDerWaalsContact CD-OD2 3.3Å; R467-D554 WeakPolarHBondContact CD-OD2 3.4Å; R467-D554 IonicContact CZ-OD2 3.49Å; R467-D554 IonicContact NE-OD2 2.83Å; R467-D554 IonicContact NH1-OD2 2.69Å; R467-D554 PolarHBondContact NH1-OD2 3.45Å; D554-L580 HydrophobicContact CB-CD1 4.4Å; D554-I581 WeakPolarHBondContact CA-O 3.16Å; D554-R582 IonicContact OD1-CZ 2.9Å; D554-R582 IonicContact OD1-NE 2.71Å; D554-R582 PolarHBondContact OD1-NE 3.42Å; D554-R582 IonicContact OD1-NH2 3.59Å; D554-R582 PolarHBondContact OD1-NH2 3.35Å; D554-R582 IonicContact OD2-NH2 3.25Å
555R93.2Very high92.3Very high10 Ų1018.2 Ų18.24%0.03811%0.114CC..EExtended strand (participates in β ladder)trans-140.4147.5-176.9-67.8-67.7-175.9-107.110.6112.2D545 L546 S548 L549 I581D545-R555 PolarHBondContact O-NE 2.94Å; D545-R555 PolarHBondContact O-NH2 3.16Å; D545-R555 IonicContact OD1-NH2 2.99Å; D545-R555 PolarHBondContact OD1-NH2 3.13Å; D545-R555 VanDerWaalsContact OD1-NH2 3.14Å; L546-R555 WeakPolarHBondContact O-CD 3.47Å; L546-R555 PolarHBondContact O-NE 2.89Å; S548-R555 PolarHBondContact O-NE 3.42Å; S548-R555 VanDerWaalsContact O-NE 3.16Å; L549-R555 HydrophobicContact CD2-CB 3.65Å; L549-R555 HydrophobicContact CD2-CG 4.31Å; R555-I581 PolarHBondContact N-O 3.49Å; R555-I581 PolarHBondContact O-N 2.96Å
556Y95.2Very high92.4Very high5 Ų517.5 Ų17.52%0.0212%0.115CC..EExtended strand (participates in β ladder)trans-80.9131.8173.7-64.4-30.4000110.7W453 A455 D456 E459 D506 H509 F510 L580W453-Y556 HydrophobicContact CH2-CD2 4.12Å; W453-Y556 HydrophobicContact CH2-CE1 4.33Å; W453-Y556 AromaticContact CH2-CE2 3.82Å; W453-Y556 HydrophobicContact CH2-CE2 3.82Å; W453-Y556 AromaticContact CH2-CZ 3.91Å; W453-Y556 HydrophobicContact CZ2-CD2 4.12Å; W453-Y556 AromaticContact CZ2-CE2 3.57Å; W453-Y556 HydrophobicContact CZ2-CE2 3.57Å; W453-Y556 AromaticContact CZ2-CZ 3.94Å; A455-Y556 WeakPolarHBondContact CA-OH 3.28Å; A455-Y556 HydrophobicContact CB-CE1 3.91Å; D456-Y556 PolarHBondContact N-OH 3.14Å; E459-Y556 HydrophobicContact CB-CE1 4.13Å; E459-Y556 VanDerWaalsContact CB-OH 3.31Å; E459-Y556 WeakPolarHBondContact CB-OH 3.28Å; D506-Y556 PolarHBondContact N-O 2.74Å; D506-Y556 VanDerWaalsContact N-O 3.1Å; H509-Y556 AromaticContact CD2-CD2 3.6Å; H509-Y556 AromaticContact CD2-CE2 3.6Å; H509-Y556 AromaticContact NE2-CD2 4Å; H509-Y556 AromaticContact NE2-CE2 3.5Å; H509-Y556 WeakPolarHBondContact NE2-CE2 3.47Å; F510-Y556 HydrophobicContact CE2-CD2 4.31Å; F510-Y556 AromaticContact CZ-CD2 3.91Å; F510-Y556 HydrophobicContact CZ-CD2 3.91Å; F510-Y556 HydrophobicContact CZ-CE2 4.38Å; Y556-L580 HydrophobicContact CD1-CD1 3.77Å; Y556-L580 HydrophobicContact CE1-CD1 3.92Å
557A96.1Very high92.4Very high0 Ų026.2 Ų26.20%016%0.156CC..EExtended strand (participates in β ladder)trans-131.4155.3177.300000111.8H503 I504 R578 T579 I581H503-A557 HydrophobicContact CB-CB 4.08Å; I504-A557 CarbonylContact O-C 3.55Å; I504-A557 WeakPolarHBondContact O-CA 3.46Å; I504-A557 WeakPolarHBondContact O-CB 3.39Å; A557-R578 WeakPolarHBondContact O-CA 3.47Å; A557-T579 PolarHBondContact N-O 3.02Å; A557-T579 PolarHBondContact O-N 3.07Å; A557-T579 PolarHBondContact O-OG1 3.32Å; A557-I581 HydrophobicContact CB-CD1 3.76Å; A557-I581 HydrophobicContact CB-CG1 3.94Å; A557-I581 HydrophobicContact CB-CG2 4.24Å
558M96.7Very high92.3Very high1 Ų128.9 Ų28.91%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-104.2119.6163-163.5166.4-154.300108I504 F791 H804 L807 T808 L811I504-M558 PolarHBondContact N-O 2.94Å; I504-M558 PolarHBondContact O-N 3.22Å; M558-F791 HydrophobicContact CB-CE2 4.41Å; M558-F791 HydrophobicContact CB-CZ 4.07Å; M558-F791 HydrophobicContact CG-CE2 4.05Å; M558-F791 HydrophobicContact CG-CZ 3.89Å; M558-F791 HydrophobicContact SD-CE2 3.82Å; M558-F791 HydrophobicContact SD-CZ 4.29Å; M558-H804 HydrophobicContact SD-CB 4.02Å; M558-L807 HydrophobicContact CE-CB 3.82Å; M558-L807 HydrophobicContact CE-CD2 3.55Å; M558-L807 HydrophobicContact CE-CG 3.55Å; M558-L807 HydrophobicContact CG-CD2 4.44Å; M558-L807 HydrophobicContact SD-CD2 3.96Å; M558-L807 HydrophobicContact SD-CG 4.49Å; M558-T808 WeakPolarHBondContact CE-OG1 2.83Å; M558-L811 HydrophobicContact CE-CD1 4.4Å
559S97.3Very high92.3Very high0 Ų029.3 Ų29.30%018%0.176CC..EExtended strand (participates in β ladder)trans-117144.1-167.3-65.40000112.7V502 H503 F576 G577 T579V502-S559 WeakPolarHBondContact O-CA 3.39Å; H503-S559 WeakPolarHBondContact CB-OG 3.21Å; H503-S559 WeakPolarHBondContact ND1-CB 3.38Å; H503-S559 PolarHBondContact ND1-OG 3.19Å; S559-F576 WeakPolarHBondContact O-CA 3.23Å; S559-G577 PolarHBondContact N-O 3.12Å; S559-G577 PolarHBondContact O-N 3.41Å; S559-G577 VanDerWaalsContact O-N 3.09Å; S559-T579 WeakPolarHBondContact OG-CG2 3.15Å; S559-T579 PolarHBondContact OG-OG1 3.13Å
560V97.5Very high92.2Very high0 Ų031.5 Ų31.50%020%0.195CC..EExtended strand (participates in β ladder)trans-118123.6167.9-168.30000107.5V502 W562 V574 W575 F576 V688 F791V502-V560 PolarHBondContact N-O 2.97Å; V502-V560 PolarHBondContact O-N 3.37Å; V560-W562 HydrophobicContact CB-CH2 3.71Å; V560-W562 HydrophobicContact CB-CZ2 4.05Å; V560-W562 HydrophobicContact CB-CZ3 4.14Å; V560-W562 HydrophobicContact CG1-CD2 4.29Å; V560-W562 HydrophobicContact CG1-CE3 4.44Å; V560-W562 HydrophobicContact CG1-CH2 3.49Å; V560-W562 VanDerWaalsContact CG1-CH2 3.49Å; V560-W562 HydrophobicContact CG1-CZ2 3.29Å; V560-W562 HydrophobicContact CG1-CZ3 4.08Å; V560-W562 WeakPolarHBondContact O-CZ3 3.42Å; V560-V574 HydrophobicContact CG1-CG1 4.07Å; V560-W575 WeakPolarHBondContact CA-O 3.07Å; V560-F576 HydrophobicContact CB-CD1 4.33Å; V560-F576 HydrophobicContact CG1-CD1 3.73Å; V560-F576 HydrophobicContact CG1-CE1 3.55Å; V560-F576 HydrophobicContact CG1-CZ 4.39Å; V560-F576 HydrophobicContact CG2-CD1 3.88Å; V560-F576 HydrophobicContact CG2-CE1 4.23Å; V560-V688 HydrophobicContact CG2-CG2 3.77Å; V560-F791 HydrophobicContact CG2-CE1 3.81Å; V560-F791 HydrophobicContact CG2-CZ 4.25Å
561M97.1Very high92.5Very high4 Ų431.7 Ų31.72%0.0220%0.198CC..EExtended strand (participates in β ladder)trans-125.3133.7-179-64.1-173.5-73.600110.5L466 L500 V574 W575L466-M561 HydrophobicContact CD1-SD 4.27Å; L500-M561 CarbonylContact O-C 3.59Å; L500-M561 VanDerWaalsContact O-CA 3.27Å; L500-M561 WeakPolarHBondContact O-CA 3.31Å; M561-V574 CarbonylContact O-C 3.52Å; M561-V574 WeakPolarHBondContact O-CA 3.39Å; M561-W575 HydrophobicContact CB-CB 4.5Å; M561-W575 HydrophobicContact CE-CD2 3.75Å; M561-W575 HydrophobicContact CE-CE3 3.17Å; M561-W575 HydrophobicContact CE-CG 4.46Å; M561-W575 HydrophobicContact CE-CH2 4.17Å; M561-W575 HydrophobicContact CE-CZ3 3.42Å; M561-W575 VanDerWaalsContact CE-CZ3 3.42Å; M561-W575 HydrophobicContact CG-CE3 4.41Å; M561-W575 PolarHBondContact N-O 2.94Å; M561-W575 PolarHBondContact O-N 2.85Å
562W97.1Very high92.8Very high0 Ų034.7 Ų34.70%021%0.211CC..EExtended strand (participates in β ladder)trans-115.9131.1178.5-59.7-96.7000110.3E499 L500 V502 V560 L564 K573 V574 Y683 A684 W687E499-W562 CarbonylContact C-O 3.48Å; E499-W562 VanDerWaalsContact CA-O 3.25Å; E499-W562 WeakPolarHBondContact CA-O 3.3Å; L500-W562 HydrophobicContact CB-CE3 4.27Å; L500-W562 HydrophobicContact CD2-CE3 4Å; L500-W562 HydrophobicContact CD2-CZ3 4.31Å; L500-W562 HydrophobicContact CG-CE3 4.01Å; L500-W562 HydrophobicContact CG-CZ3 4.36Å; L500-W562 PolarHBondContact N-O 2.95Å; L500-W562 PolarHBondContact O-N 2.73Å; V502-W562 HydrophobicContact CB-CH2 4.26Å; V502-W562 HydrophobicContact CB-CZ3 4Å; V502-W562 HydrophobicContact CG2-CH2 4.08Å; V502-W562 HydrophobicContact CG2-CZ3 3.7Å; V560-W562 HydrophobicContact CB-CH2 3.71Å; V560-W562 HydrophobicContact CB-CZ2 4.05Å; V560-W562 HydrophobicContact CB-CZ3 4.14Å; V560-W562 HydrophobicContact CG1-CD2 4.29Å; V560-W562 HydrophobicContact CG1-CE3 4.44Å; V560-W562 HydrophobicContact CG1-CH2 3.49Å; V560-W562 VanDerWaalsContact CG1-CH2 3.49Å; V560-W562 HydrophobicContact CG1-CZ2 3.29Å; V560-W562 HydrophobicContact CG1-CZ3 4.08Å; V560-W562 WeakPolarHBondContact O-CZ3 3.42Å; W562-L564 HydrophobicContact CB-CD2 3.88Å; W562-L564 HydrophobicContact CB-CG 4.29Å; W562-K573 WeakPolarHBondContact CA-O 3.33Å; W562-V574 HydrophobicContact CG-CG1 4.45Å; W562-Y683 AromaticContact CD1-CE1 3.65Å; W562-Y683 HydrophobicContact CD2-CD1 4.04Å; W562-Y683 AromaticContact CD2-CE1 3.9Å; W562-Y683 HydrophobicContact CD2-CE1 3.9Å; W562-Y683 AromaticContact CE2-CD1 3.58Å; W562-Y683 AromaticContact CE2-CE1 3.57Å; W562-Y683 HydrophobicContact CE3-CD1 4.46Å; W562-Y683 AromaticContact CG-CE1 3.98Å; W562-Y683 HydrophobicContact CG-CE1 3.98Å; W562-Y683 HydrophobicContact CH2-CD1 4.1Å; W562-Y683 AromaticContact CZ2-CD1 3.61Å; W562-Y683 HydrophobicContact CZ2-CD1 3.61Å; W562-Y683 HydrophobicContact CZ2-CE1 4.08Å; W562-Y683 HydrophobicContact CZ2-CG 4.5Å; W562-Y683 HydrophobicContact CZ3-CD1 4.5Å; W562-Y683 AromaticContact NE1-CD1 3.9Å; W562-Y683 AromaticContact NE1-CE1 3.42Å; W562-A684 HydrophobicContact CH2-CB 3.79Å; W562-A684 HydrophobicContact CZ2-CB 4.43Å; W562-W687 AromaticContact CD1-NE1 3.95Å; W562-W687 AromaticContact CE2-CD1 3.78Å; W562-W687 HydrophobicContact CZ2-CB 4.17Å; W562-W687 AromaticContact CZ2-CD1 3.91Å; W562-W687 HydrophobicContact CZ2-CG 4.23Å; W562-W687 AromaticContact NE1-CD1 3.11Å; W562-W687 AromaticContact NE1-CD2 3.8Å; W562-W687 AromaticContact NE1-CE2 3.78Å; W562-W687 AromaticContact NE1-CG 3.39Å; W562-W687 AromaticContact NE1-NE1 3.33Å
563E96.1Very high93.2Very high52 Ų5238 Ų3824%0.24321%0.212CC..EExtended strand (participates in β ladder)trans-90.5115.6162.7-65.1175.2-155.800108L498 T572 K573L498-E563 CarbonylContact O-C 3.55Å; L498-E563 WeakPolarHBondContact O-CA 3.2Å; E563-T572 WeakPolarHBondContact O-CB 3.47Å; E563-T572 PolarHBondContact O-N 3.43Å; E563-K573 HydrophobicContact CB-CB 4.15Å; E563-K573 HydrophobicContact CG-CB 4.42Å; E563-K573 PolarHBondContact N-O 3.27Å; E563-K573 PolarHBondContact O-N 2.83Å
564L94.9Very high93.6Very high3 Ų336.6 Ų36.62%0.01620%0.203CC..EExtended strand (participates in β ladder)trans-108.3141.9-179.1-52178.7000109.7L497 L498 L500 W562 A566 A570 V571 I631L497-L564 CarbonylContact C-O 3.58Å; L497-L564 VanDerWaalsContact CA-O 3.3Å; L497-L564 WeakPolarHBondContact CA-O 3.4Å; L498-L564 HydrophobicContact CB-CB 4.35Å; L498-L564 PolarHBondContact N-O 2.89Å; L498-L564 PolarHBondContact O-N 2.79Å; L500-L564 HydrophobicContact CB-CD1 4.33Å; W562-L564 HydrophobicContact CB-CD2 3.88Å; W562-L564 HydrophobicContact CB-CG 4.29Å; L564-A566 PolarHBondContact O-N 3.19Å; L564-A570 WeakPolarHBondContact CA-O 3.2Å; L564-V571 HydrophobicContact CD2-CB 4.41Å; L564-V571 HydrophobicContact CD2-CG2 3.79Å; L564-I631 HydrophobicContact CD1-CD1 4.19Å; L564-I631 HydrophobicContact CD1-CG1 4.4Å; L564-I631 HydrophobicContact CD1-CG2 3.95Å
565D93.1Very high93.8Very high50 Ų5038.7 Ų38.727%0.26721%0.209SC..EExtended strand (participates in β ladder)trans-66.7130.8167.6173.8-102000110.2Q567 S568 L569 A570D565-Q567 PolarHBondContact O-N 2.85Å; D565-Q567 VanDerWaalsContact O-N 3.15Å; D565-Q567 PolarHBondContact OD1-N 3.06Å; D565-S568 WeakPolarHBondContact CB-OG 3.33Å; D565-S568 WeakPolarHBondContact OD1-CB 3.25Å; D565-S568 PolarHBondContact OD1-N 3.26Å; D565-S568 PolarHBondContact OD1-OG 2.99Å; D565-L569 WeakPolarHBondContact O-CA 3.32Å; D565-L569 PolarHBondContact O-N 3.43Å; D565-A570 PolarHBondContact N-O 3.36Å
566A88.8Confident93.9Very high32 Ų3239.1 Ų39.126%0.26421%0.212SC..THydrogen-bonded Turntrans-68.7-16-171.100000114.3G495 K496 L498 L564G495-A566 VanDerWaalsContact O-CB 3.27Å; G495-A566 WeakPolarHBondContact O-CB 3.49Å; K496-A566 VanDerWaalsContact O-CB 3.24Å; K496-A566 WeakPolarHBondContact O-CB 3.46Å; K496-A566 PolarHBondContact O-N 3.31Å; L498-A566 HydrophobicContact CG-CB 4.04Å; L564-A566 PolarHBondContact O-N 3.19Å
567Q86.3Confident93.9Very high184 Ų18439 Ų3986%0.8621%0.212SC*.THydrogen-bonded Turntrans-99.5-50.8-179.8-64.9-175.8-5.600112.1D565D565-Q567 PolarHBondContact O-N 2.85Å; D565-Q567 VanDerWaalsContact O-N 3.15Å; D565-Q567 PolarHBondContact OD1-N 3.06Å
568S88.1Confident93.9Very high59 Ų5942.5 Ų42.541%0.41323%0.225SC..THydrogen-bonded Turntrans-88.7-15-176.863.30000113.5D565 A570D565-S568 WeakPolarHBondContact CB-OG 3.33Å; D565-S568 WeakPolarHBondContact OD1-CB 3.25Å; D565-S568 PolarHBondContact OD1-N 3.26Å; D565-S568 PolarHBondContact OD1-OG 2.99Å; S568-A570 PolarHBondContact O-N 2.9Å; S568-A570 VanDerWaalsContact O-N 3.08Å; S568-A570 WeakPolarHBondContact OG-CB 3.41Å; S568-A570 PolarHBondContact OG-N 3.27Å
569L90.1Very high93.8Very high9 Ų942.5 Ų42.55%0.04723%0.225CC..  trans5423.3-172.3-58.7175.7000113L498 D565 I631 H634L498-L569 HydrophobicContact CD1-CD2 3.77Å; D565-L569 WeakPolarHBondContact O-CA 3.32Å; D565-L569 PolarHBondContact O-N 3.43Å; L569-I631 HydrophobicContact CD2-CG1 4.17Å; L569-H634 WeakPolarHBondContact CB-ND1 3.46Å; L569-H634 HydrophobicContact CD1-CB 3.54Å
570A90.3Very high93.7Very high47 Ų4742.5 Ų42.539%0.38823%0.225SC..  trans-75.3141.4175.700000110.5L564 D565 S568 T572L564-A570 WeakPolarHBondContact CA-O 3.2Å; D565-A570 PolarHBondContact N-O 3.36Å; S568-A570 PolarHBondContact O-N 2.9Å; S568-A570 VanDerWaalsContact O-N 3.08Å; S568-A570 WeakPolarHBondContact OG-CB 3.41Å; S568-A570 PolarHBondContact OG-N 3.27Å; A570-T572 PolarHBondContact O-N 3.01Å
571V93.3Very high93.6Very high47 Ų4742.5 Ų42.529%0.28523%0.225SC..EExtended strand (participates in β ladder)trans-70.5120.6177.3-177.50000110.1L564 V574 Y683 W687L564-V571 HydrophobicContact CD2-CB 4.41Å; L564-V571 HydrophobicContact CD2-CG2 3.79Å; V571-V574 HydrophobicContact CG1-CG2 3.47Å; V571-V574 VanDerWaalsContact CG1-CG2 3.47Å; V571-Y683 WeakPolarHBondContact CG2-OH 3.46Å; V571-W687 HydrophobicContact CB-CZ2 4.19Å; V571-W687 HydrophobicContact CG1-CH2 4.21Å; V571-W687 HydrophobicContact CG1-CZ2 3.98Å; V571-W687 HydrophobicContact CG2-CZ2 3.93Å
572T92.1Very high93.5Very high92 Ų9247.8 Ų47.856%0.56424%0.244SC*.EExtended strand (participates in β ladder)trans-92.4-43.6172.5-58.40000110.8E563 A570E563-T572 WeakPolarHBondContact O-CB 3.47Å; E563-T572 PolarHBondContact O-N 3.43Å; A570-T572 PolarHBondContact O-N 3.01Å
573K93.9Very high93.3Very high116 Ų11647.9 Ų47.950%0.50425%0.245SC..EExtended strand (participates in β ladder)trans-150146.8-177-171.5178.3176.3-172.80111W562 E563W562-K573 WeakPolarHBondContact CA-O 3.33Å; E563-K573 HydrophobicContact CB-CB 4.15Å; E563-K573 HydrophobicContact CG-CB 4.42Å; E563-K573 PolarHBondContact N-O 3.27Å; E563-K573 PolarHBondContact O-N 2.83Å
574V96.3Very high93Very high33 Ų3347.5 Ų47.520%0.225%0.248CC..EExtended strand (participates in β ladder)trans-123.7136.3173.1-166.30000109.4V560 M561 W562 V571 F576 W687V560-V574 HydrophobicContact CG1-CG1 4.07Å; M561-V574 CarbonylContact O-C 3.52Å; M561-V574 WeakPolarHBondContact O-CA 3.39Å; W562-V574 HydrophobicContact CG-CG1 4.45Å; V571-V574 HydrophobicContact CG1-CG2 3.47Å; V571-V574 VanDerWaalsContact CG1-CG2 3.47Å; V574-F576 HydrophobicContact CB-CE2 4.12Å; V574-F576 HydrophobicContact CB-CZ 4.34Å; V574-F576 HydrophobicContact CG1-CD2 4.29Å; V574-F576 HydrophobicContact CG1-CE1 4.06Å; V574-F576 HydrophobicContact CG1-CE2 3.57Å; V574-F576 HydrophobicContact CG1-CZ 3.43Å; V574-F576 VanDerWaalsContact CG1-CZ 3.43Å; V574-W687 HydrophobicContact CB-CE3 4.4Å; V574-W687 HydrophobicContact CG1-CE3 4.38Å; V574-W687 HydrophobicContact CG2-CD2 4.04Å; V574-W687 HydrophobicContact CG2-CE3 3.78Å; V574-W687 HydrophobicContact CG2-CH2 3.79Å; V574-W687 HydrophobicContact CG2-CZ2 4.06Å; V574-W687 HydrophobicContact CG2-CZ3 3.65Å
575W96.5Very high92.7Very high68 Ų6848 Ų4826%0.25825%0.25SS..EExtended strand (participates in β ladder)trans-123.4137.7175.8-17891.8000110R464 V560 M561 T579R464-W575 HydrophobicContact CB-CH2 4.2Å; R464-W575 HydrophobicContact CB-CZ2 4.3Å; V560-W575 WeakPolarHBondContact CA-O 3.07Å; M561-W575 HydrophobicContact CB-CB 4.5Å; M561-W575 HydrophobicContact CE-CD2 3.75Å; M561-W575 HydrophobicContact CE-CE3 3.17Å; M561-W575 HydrophobicContact CE-CG 4.46Å; M561-W575 HydrophobicContact CE-CH2 4.17Å; M561-W575 HydrophobicContact CE-CZ3 3.42Å; M561-W575 VanDerWaalsContact CE-CZ3 3.42Å; M561-W575 HydrophobicContact CG-CE3 4.41Å; M561-W575 PolarHBondContact N-O 2.94Å; M561-W575 PolarHBondContact O-N 2.85Å; W575-T579 HydrophobicContact CH2-CG2 3.72Å; W575-T579 HydrophobicContact CZ3-CG2 3.8Å
576F96.1Very high92.5Very high20 Ų2048.7 Ų48.79%0.08825%0.252CS..EExtended strand (participates in β ladder)trans-126.6138.7176.5-52.5-93.1000109S559 V560 V574 W687 V688 K691 L807 L811S559-F576 WeakPolarHBondContact O-CA 3.23Å; V560-F576 HydrophobicContact CB-CD1 4.33Å; V560-F576 HydrophobicContact CG1-CD1 3.73Å; V560-F576 HydrophobicContact CG1-CE1 3.55Å; V560-F576 HydrophobicContact CG1-CZ 4.39Å; V560-F576 HydrophobicContact CG2-CD1 3.88Å; V560-F576 HydrophobicContact CG2-CE1 4.23Å; V574-F576 HydrophobicContact CB-CE2 4.12Å; V574-F576 HydrophobicContact CB-CZ 4.34Å; V574-F576 HydrophobicContact CG1-CD2 4.29Å; V574-F576 HydrophobicContact CG1-CE1 4.06Å; V574-F576 HydrophobicContact CG1-CE2 3.57Å; V574-F576 HydrophobicContact CG1-CZ 3.43Å; V574-F576 VanDerWaalsContact CG1-CZ 3.43Å; F576-W687 HydrophobicContact CE1-CB 4.18Å; F576-W687 HydrophobicContact CZ-CB 4.11Å; F576-V688 HydrophobicContact CD1-CG2 4.2Å; F576-V688 HydrophobicContact CE1-CG2 4.02Å; F576-K691 HydrophobicContact CD2-CD 4.38Å; F576-K691 HydrophobicContact CD2-CG 4.29Å; F576-K691 HydrophobicContact CE1-CB 4.47Å; F576-K691 HydrophobicContact CE2-CB 4.3Å; F576-K691 HydrophobicContact CE2-CD 4.24Å; F576-K691 HydrophobicContact CE2-CG 4.23Å; F576-K691 HydrophobicContact CZ-CB 4.13Å; F576-K691 HydrophobicContact CZ-CG 4.49Å; F576-L807 HydrophobicContact CB-CD1 4.33Å; F576-L807 HydrophobicContact CD1-CD1 4.37Å; F576-L807 HydrophobicContact CG-CD1 4.44Å; F576-L811 HydrophobicContact CB-CD1 4.24Å; F576-L811 HydrophobicContact CB-CD2 4.12Å
577G94.5Very high92.6Very high2 Ų247.3 Ų47.32%0.02124%0.24CC..EExtended strand (participates in β ladder)trans168.2175.3173.500000114.9S559S559-G577 PolarHBondContact N-O 3.12Å; S559-G577 PolarHBondContact O-N 3.41Å; S559-G577 VanDerWaalsContact O-N 3.09Å
578R95.4Very high92.8Very high74 Ų7441.3 Ų41.328%0.27921%0.212SC..EExtended strand (participates in β ladder)trans-79.9136.1175.9-76.3179.9167156.25111.3R463 R464 D506 T508 A557R463-R578 HydrophobicContact CG-CB 4.09Å; R464-R578 PolarHBondContact N-O 3.03Å; D506-R578 IonicContact OD1-NE 3.14Å; D506-R578 IonicContact OD1-NH2 3.08Å; D506-R578 WeakPolarHBondContact OD2-CD 3.38Å; D506-R578 IonicContact OD2-CZ 3.68Å; D506-R578 IonicContact OD2-NE 3.63Å; D506-R578 PolarHBondContact OD2-NE 2.67Å; T508-R578 PolarHBondContact OG1-NH2 2.91Å; A557-R578 WeakPolarHBondContact O-CA 3.47Å
579T95.8Very high92.8Very high0 Ų039.9 Ų39.90%020%0.198CC..EExtended strand (participates in β ladder)trans-133.4159.8-17552.60000111.1R464 L466 A557 S559 W575R464-T579 HydrophobicContact CB-CG2 4.24Å; R464-T579 CarbonylContact O-C 3.49Å; R464-T579 WeakPolarHBondContact O-CA 3.2Å; R464-T579 WeakPolarHBondContact O-CB 3.47Å; L466-T579 HydrophobicContact CD1-CG2 3.69Å; L466-T579 HydrophobicContact CG-CG2 4.11Å; A557-T579 PolarHBondContact N-O 3.02Å; A557-T579 PolarHBondContact O-N 3.07Å; A557-T579 PolarHBondContact O-OG1 3.32Å; S559-T579 WeakPolarHBondContact OG-CG2 3.15Å; S559-T579 PolarHBondContact OG-OG1 3.13Å; W575-T579 HydrophobicContact CH2-CG2 3.72Å; W575-T579 HydrophobicContact CZ3-CG2 3.8Å
580L95.5Very high92.8Very high0 Ų043.5 Ų43.50%021%0.214CC..EExtended strand (participates in β ladder)trans-110.6122.8166.5-179.767.1000108.1A455 V460 R464 L466 R467 D554 Y556A455-L580 HydrophobicContact CB-CD1 4.39Å; V460-L580 HydrophobicContact CB-CD2 4.49Å; V460-L580 HydrophobicContact CG1-CD2 4.12Å; V460-L580 HydrophobicContact CG2-CD2 3.99Å; R464-L580 PolarHBondContact O-N 2.97Å; L466-L580 PolarHBondContact N-O 3.01Å; R467-L580 HydrophobicContact CG-CG 4.2Å; R467-L580 VanDerWaalsContact CZ-CD2 3.46Å; D554-L580 HydrophobicContact CB-CD1 4.4Å; Y556-L580 HydrophobicContact CD1-CD1 3.77Å; Y556-L580 HydrophobicContact CE1-CD1 3.92Å
581I95Very high92.7Very high1 Ų141.7 Ų41.71%0.00520%0.198CC..EExtended strand (participates in β ladder)trans-125161.2-175.665.8167.3000110.9L466 V472 T486 H503 L549 D554 R555 A557L466-I581 HydrophobicContact CB-CG2 4.22Å; L466-I581 HydrophobicContact CD1-CG2 4.06Å; V472-I581 HydrophobicContact CG1-CD1 4.2Å; T486-I581 WeakPolarHBondContact OG1-CD1 3.43Å; H503-I581 HydrophobicContact CB-CD1 3.95Å; H503-I581 HydrophobicContact CB-CG2 4.41Å; L549-I581 HydrophobicContact CD1-CD1 3.97Å; L549-I581 HydrophobicContact CD2-CD1 3.95Å; L549-I581 HydrophobicContact CD2-CG1 4.48Å; L549-I581 HydrophobicContact CG-CD1 4.46Å; D554-I581 WeakPolarHBondContact CA-O 3.16Å; R555-I581 PolarHBondContact N-O 3.49Å; R555-I581 PolarHBondContact O-N 2.96Å; A557-I581 HydrophobicContact CB-CD1 3.76Å; A557-I581 HydrophobicContact CB-CG1 3.94Å; A557-I581 HydrophobicContact CB-CG2 4.24Å
582R93.9Very high92.5Very high114 Ų11439.4 Ų39.443%0.4318%0.184SC..EExtended strand (participates in β ladder)trans-133.3112.9166.6175.5177.3-74.1-166.9-6107.5R467 D554 S584R467-R582 HydrophobicContact CB-CB 4.43Å; R467-R582 HydrophobicContact CG-CB 4.13Å; D554-R582 IonicContact OD1-CZ 2.9Å; D554-R582 IonicContact OD1-NE 2.71Å; D554-R582 PolarHBondContact OD1-NE 3.42Å; D554-R582 IonicContact OD1-NH2 3.59Å; D554-R582 PolarHBondContact OD1-NH2 3.35Å; D554-R582 IonicContact OD2-NH2 3.25Å; R582-S584 PolarHBondContact O-N 3.1Å
583S92.9Very high92.4Very high2 Ų235.7 Ų35.71%0.01416%0.16CC..BIsolated β-bridgetrans-67.7121.9175.3-171.90000108.6G552 Y585G552-S583 PolarHBondContact N-O 3.1Å; S583-Y585 PolarHBondContact OG-O 2.91Å
584S89.4Confident92.2Very high45 Ų4530.6 Ų30.632%0.31514%0.14SC..  trans-83.3-31.9-177.9-61.10000111.9V472 R582V472-S584 PolarHBondContact O-N 2.93Å; R582-S584 PolarHBondContact O-N 3.1Å
585Y89.3Confident91.8Very high14 Ų1429.2 Ų29.26%0.05513%0.132CC..EExtended strand (participates in β ladder)trans-140138.4-177.9-52-66.2000110.6L471 F473 S474 S583 V603 E605 L606 L621L471-Y585 HydrophobicContact CD1-CD2 4.24Å; L471-Y585 HydrophobicContact CD1-CE2 3.71Å; L471-Y585 HydrophobicContact CD2-CE2 4.43Å; F473-Y585 WeakPolarHBondContact CA-O 3.36Å; F473-Y585 HydrophobicContact CB-CD2 4.36Å; F473-Y585 WeakPolarHBondContact CB-O 3.13Å; S474-Y585 PolarHBondContact N-O 2.91Å; S583-Y585 PolarHBondContact OG-O 2.91Å; Y585-V603 HydrophobicContact CD1-CG1 4.22Å; Y585-E605 HydrophobicContact CD1-CB 4.05Å; Y585-E605 HydrophobicContact CE1-CB 4.41Å; Y585-L606 HydrophobicContact CE1-CD1 4.37Å; Y585-L606 HydrophobicContact CE1-CD2 3.65Å; Y585-L606 HydrophobicContact CE1-CG 3.85Å; Y585-L621 HydrophobicContact CD2-CD1 3.72Å; Y585-L621 HydrophobicContact CD2-CD2 3.93Å; Y585-L621 HydrophobicContact CD2-CG 4.31Å; Y585-L621 HydrophobicContact CE2-CB 4.27Å; Y585-L621 HydrophobicContact CE2-CD1 4.1Å; Y585-L621 HydrophobicContact CE2-CD2 4.15Å; Y585-L621 HydrophobicContact CE2-CG 4.41Å; Y585-L621 HydrophobicContact CG-CD2 4.17Å
586Q89Confident91.4Very high64 Ų6427.8 Ų27.830%0.29913%0.129SC..EExtended strand (participates in β ladder)trans-111.390.9172.4-174173.53.400108.7E605Q586-E605 PolarHBondContact N-OE1 2.99Å
587L90.9Very high91Very high3 Ų330 Ų302%0.01614%0.141CC..EExtended strand (participates in β ladder)trans-86.7148.1-176.5-55.2177.6000110.6F473 S474 I475 D476 L591 A592 V603 L621 L625F473-L587 HydrophobicContact CD2-CD1 4.31Å; S474-L587 WeakPolarHBondContact O-CB 3.32Å; S474-L587 PolarHBondContact O-N 3.4Å; I475-L587 WeakPolarHBondContact CA-O 3.42Å; I475-L587 HydrophobicContact CG1-CB 4.3Å; I475-L587 HydrophobicContact CG1-CD1 4.41Å; D476-L587 PolarHBondContact N-O 2.97Å; L587-L591 HydrophobicContact CD2-CD2 3.86Å; L587-L591 HydrophobicContact CD2-CG 4.36Å; L587-A592 HydrophobicContact CB-CB 4.4Å; L587-A592 HydrophobicContact CD1-CB 4.33Å; L587-V603 HydrophobicContact CD2-CG1 4.36Å; L587-L621 HydrophobicContact CD1-CD1 4.3Å; L587-L621 HydrophobicContact CD1-CD2 4.35Å; L587-L621 HydrophobicContact CD2-CD2 4.31Å; L587-L625 HydrophobicContact CD1-CD1 4.27Å; L587-L625 HydrophobicContact CD1-CD2 4.34Å
588H90.4Very high90.5Very high58 Ų5833 Ų3327%0.26917%0.173SC..EExtended strand (participates in β ladder)trans-98.6156.4162.857.7-80.6000110.7D476 Q478 E590 L591 A592D476-H588 WeakPolarHBondContact O-CA 3.44Å; Q478-H588 HydrophobicContact CB-CB 4.47Å; H588-E590 VanDerWaalsContact C-N 3.3Å; H588-E590 IonicContact CD2-OE2 3.07Å; H588-E590 PolarHBondContact CD2-OE2 3.18Å; H588-E590 PolarHBondContact O-N 3.45Å; H588-L591 PolarHBondContact CD2-N 3.09Å; H588-L591 WeakPolarHBondContact CE1-CB 3.2Å; H588-L591 WeakPolarHBondContact NE2-CB 3.43Å; H588-L591 PolarHBondContact O-N 2.93Å; H588-L591 VanDerWaalsContact O-N 3.14Å; H588-A592 PolarHBondContact O-N 2.95Å
589Y88.7Confident90Very high29 Ų2931.2 Ų31.211%0.11417%0.168CC..Hα-helixtrans-53.4-44-174.3-72.7-69.7000113.7I475 D476 P477 A592 Q593 V673 H674 V677I475-Y589 HydrophobicContact CG2-CD1 3.66Å; I475-Y589 HydrophobicContact CG2-CE1 3.84Å; I475-Y589 HydrophobicContact CG2-CG 4.29Å; D476-Y589 VanDerWaalsContact C-CD2 3.48Å; D476-Y589 VanDerWaalsContact O-CD2 3.31Å; D476-Y589 WeakPolarHBondContact O-CD2 3.46Å; D476-Y589 PolarHBondContact O-N 3.15Å; P477-Y589 HydrophobicContact CB-CE2 4.48Å; P477-Y589 HydrophobicContact CG-CD2 4.45Å; P477-Y589 HydrophobicContact CG-CE2 3.86Å; P477-Y589 VanDerWaalsContact N-CE2 3.33Å; Y589-A592 PolarHBondContact O-N 2.85Å; Y589-Q593 WeakPolarHBondContact O-CB 3.21Å; Y589-Q593 PolarHBondContact O-N 2.86Å; Y589-V673 HydrophobicContact CD1-CB 4.35Å; Y589-V673 HydrophobicContact CD1-CG1 3.94Å; Y589-V673 HydrophobicContact CE1-CG1 4.47Å; Y589-H674 AromaticContact CD1-CD2 3.31Å; Y589-H674 WeakPolarHBondContact CD1-CD2 3.45Å; Y589-H674 AromaticContact CD1-NE2 3.82Å; Y589-H674 AromaticContact CD2-CD2 3.64Å; Y589-H674 AromaticContact CD2-NE2 3.43Å; Y589-H674 WeakPolarHBondContact CD2-NE2 3.27Å; Y589-H674 AromaticContact CE1-CD2 3.37Å; Y589-H674 WeakPolarHBondContact CE1-CD2 3.45Å; Y589-H674 AromaticContact CE2-CD2 3.69Å; Y589-H674 AromaticContact CE2-NE2 3.84Å; Y589-H674 AromaticContact CG-CD2 3.46Å; Y589-H674 VanDerWaalsContact CG-CD2 3.46Å; Y589-H674 AromaticContact CG-NE2 3.44Å; Y589-H674 AromaticContact CZ-CD2 3.59Å; Y589-V677 HydrophobicContact CE1-CG2 4.22Å
590E89Confident88.9Confident84 Ų8441.3 Ų41.339%0.39322%0.215SC..Hα-helixtrans-66.2-40.4-178.6-61.476.1-171.400111.5H588 Q593 A594 L671H588-E590 VanDerWaalsContact C-N 3.3Å; H588-E590 IonicContact CD2-OE2 3.07Å; H588-E590 PolarHBondContact CD2-OE2 3.18Å; H588-E590 PolarHBondContact O-N 3.45Å; E590-Q593 PolarHBondContact O-N 2.84Å; E590-A594 WeakPolarHBondContact O-CB 3.42Å; E590-A594 PolarHBondContact O-N 3.06Å; E590-L671 HydrophobicContact CG-CD1 4.4Å
591L88.9Confident88Confident9 Ų942.6 Ų42.65%0.04723%0.225CC..Hα-helixtrans-66.6-45.8175.1172.363.3000112L587 H588 Q593 A594 L595 A601 V603L587-L591 HydrophobicContact CD2-CD2 3.86Å; L587-L591 HydrophobicContact CD2-CG 4.36Å; H588-L591 PolarHBondContact CD2-N 3.09Å; H588-L591 WeakPolarHBondContact CE1-CB 3.2Å; H588-L591 WeakPolarHBondContact NE2-CB 3.43Å; H588-L591 PolarHBondContact O-N 2.93Å; H588-L591 VanDerWaalsContact O-N 3.14Å; L591-Q593 PolarHBondContact O-N 3.11Å; L591-A594 PolarHBondContact O-N 2.91Å; L591-L595 HydrophobicContact CD1-CD1 4.36Å; L591-L595 HydrophobicContact CD1-CG 4.27Å; L591-L595 HydrophobicContact CG-CD1 4.32Å; L591-L595 VanDerWaalsContact O-CG 3.32Å; L591-L595 WeakPolarHBondContact O-CG 3.32Å; L591-L595 PolarHBondContact O-N 3.09Å; L591-A601 HydrophobicContact CD1-CB 3.57Å; L591-V603 HydrophobicContact CD1-CG2 4.42Å; L591-V603 HydrophobicContact CD2-CG2 4.49Å
592A89.6Confident87Confident0 Ų051.2 Ų51.20%027%0.266CS..Hα-helixtrans-60.6-37.5176.800000111.6I475 L587 H588 Y589 L596 V673I475-A592 HydrophobicContact CD1-CB 4.3Å; I475-A592 HydrophobicContact CG2-CB 4.05Å; L587-A592 HydrophobicContact CB-CB 4.4Å; L587-A592 HydrophobicContact CD1-CB 4.33Å; H588-A592 PolarHBondContact O-N 2.95Å; Y589-A592 PolarHBondContact O-N 2.85Å; A592-L596 WeakPolarHBondContact O-CG 3.37Å; A592-L596 PolarHBondContact O-N 2.93Å; A592-L596 VanDerWaalsContact O-N 3.09Å; A592-V673 HydrophobicContact CB-CG1 3.91Å; A592-V673 HydrophobicContact CB-CG2 4.15Å
593Q89.8Confident86.3Confident13 Ų1346.1 Ų46.16%0.06125%0.247CC..Hα-helixtrans-68.9-42.9175.4-17467.763.200111.9Y589 E590 L591 L595 L596 N597 L671 E672 V673Y589-Q593 WeakPolarHBondContact O-CB 3.21Å; Y589-Q593 PolarHBondContact O-N 2.86Å; E590-Q593 PolarHBondContact O-N 2.84Å; L591-Q593 PolarHBondContact O-N 3.11Å; Q593-L595 VanDerWaalsContact C-N 3.3Å; Q593-L595 PolarHBondContact O-N 3.14Å; Q593-L596 PolarHBondContact O-N 3.4Å; Q593-N597 PolarHBondContact NE2-OD1 3.14Å; Q593-N597 WeakPolarHBondContact O-CB 3.4Å; Q593-N597 PolarHBondContact O-N 2.78Å; Q593-N597 PolarHBondContact O-OD1 2.66Å; Q593-L671 HydrophobicContact CG-CD2 4.45Å; Q593-E672 VanDerWaalsContact OE1-N 3.16Å; Q593-V673 HydrophobicContact CB-CG2 4.05Å
594A88.6Confident85.7Confident9 Ų950.3 Ų50.37%0.07427%0.274CS..Hα-helixtrans-59.6-42.8176.500000111.3E590 L591 N597 G598 E599 A601E590-A594 WeakPolarHBondContact O-CB 3.42Å; E590-A594 PolarHBondContact O-N 3.06Å; L591-A594 PolarHBondContact O-N 2.91Å; A594-N597 PolarHBondContact O-N 3.21Å; A594-G598 PolarHBondContact O-N 3.05Å; A594-E599 HydrophobicContact CB-CB 4.29Å; A594-E599 WeakPolarHBondContact O-CB 3.42Å; A594-E599 PolarHBondContact O-N 3.1Å; A594-A601 HydrophobicContact CB-CB 4.11Å
595L88.8Confident85.1Confident5 Ų551.3 Ų51.33%0.02627%0.274CS..Hα-helixtrans-61.4-44.2175-70.1174.7000112.3L591 Q593 N597 G598 A601 V603 L618 L621 I622 L625L591-L595 HydrophobicContact CD1-CD1 4.36Å; L591-L595 HydrophobicContact CD1-CG 4.27Å; L591-L595 HydrophobicContact CG-CD1 4.32Å; L591-L595 VanDerWaalsContact O-CG 3.32Å; L591-L595 WeakPolarHBondContact O-CG 3.32Å; L591-L595 PolarHBondContact O-N 3.09Å; Q593-L595 VanDerWaalsContact C-N 3.3Å; Q593-L595 PolarHBondContact O-N 3.14Å; L595-N597 VanDerWaalsContact C-N 3.29Å; L595-N597 PolarHBondContact O-N 3.37Å; L595-G598 PolarHBondContact O-N 3.4Å; L595-G598 VanDerWaalsContact O-N 3.17Å; L595-A601 HydrophobicContact CD2-CB 4.21Å; L595-V603 HydrophobicContact CD1-CG2 4.04Å; L595-V603 HydrophobicContact CD2-CG2 4.39Å; L595-L618 HydrophobicContact CD2-CD1 3.8Å; L595-L621 HydrophobicContact CD1-CD2 4.2Å; L595-I622 HydrophobicContact CB-CG1 4.49Å; L595-L625 HydrophobicContact CB-CD1 4.13Å; L595-L625 HydrophobicContact CD1-CD1 4.15Å
596L88.2Confident84.7Confident38 Ų3850.9 Ų50.920%0.19927%0.273CS..Hα-helixtrans-65.2-30.8175.5-79175.2000113.3A592 Q593 G598 L625 E626 V673A592-L596 WeakPolarHBondContact O-CG 3.37Å; A592-L596 PolarHBondContact O-N 2.93Å; A592-L596 VanDerWaalsContact O-N 3.09Å; Q593-L596 PolarHBondContact O-N 3.4Å; L596-G598 PolarHBondContact O-N 2.77Å; L596-L625 HydrophobicContact CD2-CB 3.72Å; L596-L625 HydrophobicContact CG-CB 4.2Å; L596-E626 HydrophobicContact CD2-CG 4.2Å; L596-V673 HydrophobicContact CD1-CG2 3.57Å
597N88.3Confident84Confident65 Ų6551.3 Ų51.335%0.34829%0.287SS..THydrogen-bonded Turntrans-76.9-8.7176.9-69-7.3000112.9Q593 A594 L595 E599Q593-N597 PolarHBondContact NE2-OD1 3.14Å; Q593-N597 WeakPolarHBondContact O-CB 3.4Å; Q593-N597 PolarHBondContact O-N 2.78Å; Q593-N597 PolarHBondContact O-OD1 2.66Å; A594-N597 PolarHBondContact O-N 3.21Å; L595-N597 VanDerWaalsContact C-N 3.29Å; L595-N597 PolarHBondContact O-N 3.37Å; N597-E599 HydrophobicContact CB-CG 3.94Å; N597-E599 PolarHBondContact ND2-OE1 3.19Å
598G83.2Confident83.2Confident67 Ų6762.8 Ų62.869%0.69133%0.33SS*.THydrogen-bonded Turntrans7424.5-17400000113.6A594 L595 L596A594-G598 PolarHBondContact O-N 3.05Å; L595-G598 PolarHBondContact O-N 3.4Å; L595-G598 VanDerWaalsContact O-N 3.17Å; L596-G598 PolarHBondContact O-N 2.77Å
599E84.8Confident82.7Confident35 Ų3562.5 Ų62.516%0.16433%0.331CS..  trans-80.6148.3176.9-63.6174.9-169.100110.8A594 N597 A601 Q990A594-E599 HydrophobicContact CB-CB 4.29Å; A594-E599 WeakPolarHBondContact O-CB 3.42Å; A594-E599 PolarHBondContact O-N 3.1Å; N597-E599 HydrophobicContact CB-CG 3.94Å; N597-E599 PolarHBondContact ND2-OE1 3.19Å; E599-A601 PolarHBondContact O-N 2.99Å; E599-Q990 PolarHBondContact OE1-NE2 2.9Å
600E73.3Confident82.4Confident212 Ų21266.9 Ų66.999%0.99136%0.356SS*.  trans-68.5102.9173-74.8-173.2177.500109.6
601A75Confident82Confident27 Ų2766.6 Ų66.622%0.22336%0.362CS..  trans-125136.8179.400000111.2L591 A594 L595 E599L591-A601 HydrophobicContact CD1-CB 3.57Å; A594-A601 HydrophobicContact CB-CB 4.11Å; L595-A601 HydrophobicContact CD2-CB 4.21Å; E599-A601 PolarHBondContact O-N 2.99Å
602Q74.6Confident81.7Confident182 Ų18274.6 Ų74.685%0.8540%0.399SS*.  trans-88117.6178.4-66-175.76.700110.2
603V79.4Confident81.3Confident7 Ų778.6 Ų78.64%0.04242%0.417CS..  trans-88117.3171.2-178.40000108.5Y585 L587 L591 L595 E605 L606 A607 L618Y585-V603 HydrophobicContact CD1-CG1 4.22Å; L587-V603 HydrophobicContact CD2-CG1 4.36Å; L591-V603 HydrophobicContact CD1-CG2 4.42Å; L591-V603 HydrophobicContact CD2-CG2 4.49Å; L595-V603 HydrophobicContact CD1-CG2 4.04Å; L595-V603 HydrophobicContact CD2-CG2 4.39Å; V603-E605 VanDerWaalsContact C-N 3.28Å; V603-E605 WeakPolarHBondContact CG1-OE2 3.3Å; V603-E605 PolarHBondContact O-N 3.06Å; V603-L606 HydrophobicContact CB-CB 4.2Å; V603-L606 HydrophobicContact CB-CD1 3.95Å; V603-L606 HydrophobicContact CB-CG 4.12Å; V603-L606 HydrophobicContact CG1-CD1 4.2Å; V603-L606 HydrophobicContact CG1-CG 4.08Å; V603-L606 HydrophobicContact CG2-CD1 4.3Å; V603-L606 PolarHBondContact O-N 3.24Å; V603-A607 PolarHBondContact O-N 3.45Å; V603-L618 HydrophobicContact CG2-CD1 4.13Å
604P79.6Confident81Confident90 Ų9082.9 Ų82.958%0.58443%0.433SS*.G310 helixtrans-54.2-39.4-173.5-27.935.1000114.5L606 A607P604-L606 VanDerWaalsContact C-N 3.27Å; P604-L606 PolarHBondContact O-N 3.39Å; P604-A607 WeakPolarHBondContact O-CB 3.34Å; P604-A607 PolarHBondContact O-N 2.84Å
605E78.8Confident80.8Confident67 Ų6786.1 Ų86.131%0.31345%0.449SS..G310 helixtrans-70.8-24.1-177.5-60.992.1147.700112.7Y585 Q586 V603Y585-E605 HydrophobicContact CD1-CB 4.05Å; Y585-E605 HydrophobicContact CE1-CB 4.41Å; Q586-E605 PolarHBondContact N-OE1 2.99Å; V603-E605 VanDerWaalsContact C-N 3.28Å; V603-E605 WeakPolarHBondContact CG1-OE2 3.3Å; V603-E605 PolarHBondContact O-N 3.06Å
606L79.1Confident80.6Confident5 Ų588.9 Ų88.93%0.02647%0.473CS..G310 helixtrans-90-11178-65.3-179.4000112.8Y585 V603 P604 R608 L609 R614 K617 L618Y585-L606 HydrophobicContact CE1-CD1 4.37Å; Y585-L606 HydrophobicContact CE1-CD2 3.65Å; Y585-L606 HydrophobicContact CE1-CG 3.85Å; V603-L606 HydrophobicContact CB-CB 4.2Å; V603-L606 HydrophobicContact CB-CD1 3.95Å; V603-L606 HydrophobicContact CB-CG 4.12Å; V603-L606 HydrophobicContact CG1-CD1 4.2Å; V603-L606 HydrophobicContact CG1-CG 4.08Å; V603-L606 HydrophobicContact CG2-CD1 4.3Å; V603-L606 PolarHBondContact O-N 3.24Å; P604-L606 VanDerWaalsContact C-N 3.27Å; P604-L606 PolarHBondContact O-N 3.39Å; L606-R608 PolarHBondContact O-N 2.87Å; L606-R608 VanDerWaalsContact O-N 3.15Å; L606-L609 HydrophobicContact CD2-CD1 3.7Å; L606-L609 PolarHBondContact O-N 3.28Å; L606-R614 HydrophobicContact CB-CG 4.07Å; L606-K617 HydrophobicContact CD2-CB 3.86Å; L606-K617 HydrophobicContact CD2-CD 4.16Å; L606-L618 HydrophobicContact CD1-CB 4.03Å; L606-L618 HydrophobicContact CD1-CD1 4.07Å
607A75.7Confident80.5Confident73 Ų7390.3 Ų90.360%0.60348%0.477SS*.THydrogen-bonded Turntrans-65.3-19.4-173.600000114.5V603 P604V603-A607 PolarHBondContact O-N 3.45Å; P604-A607 WeakPolarHBondContact O-CB 3.34Å; P604-A607 PolarHBondContact O-N 2.84Å
608R73.7Confident80.4Confident243 Ų24389 Ų8992%0.91747%0.47SS*.THydrogen-bonded Turntrans-98.50.2-177.5-63-177.9-179.8169.71.3114.1L606L606-R608 PolarHBondContact O-N 2.87Å; L606-R608 VanDerWaalsContact O-N 3.15Å
609L80Confident80.7Confident53 Ų5389.3 Ų89.328%0.27746%0.462SS..SBendtrans-93157-177.8-63.4176.3000111.7L606 R614 K617L606-L609 HydrophobicContact CD2-CD1 3.7Å; L606-L609 PolarHBondContact O-N 3.28Å; L609-R614 HydrophobicContact CB-CB 4.33Å; L609-K617 HydrophobicContact CD1-CD 3.72Å
610D82.6Confident80.9Confident120 Ų12092.5 Ų92.564%0.64248%0.477SS*.  trans-61.6148.2172.7-71-40.8000110.8E612 E613 R614D610-E612 VanDerWaalsContact C-N 3.31Å; D610-E612 PolarHBondContact O-N 2.7Å; D610-E613 PolarHBondContact O-N 3.26Å; D610-E613 VanDerWaalsContact O-N 3.13Å; D610-R614 VanDerWaalsContact O-CB 3.31Å; D610-R614 WeakPolarHBondContact O-CB 3.45Å; D610-R614 PolarHBondContact O-N 2.82Å
611P80.6Confident81.7Confident79 Ų7982.4 Ų82.451%0.51343%0.429SS..Hα-helixtrans-54.1-41.3-172.9-27.934.7000114.6D615P611-D615 WeakPolarHBondContact O-CB 3.28Å; P611-D615 PolarHBondContact O-N 2.88Å
612E81.3Confident82.5Confident177 Ų17783.2 Ų83.283%0.82743%0.43SS*.Hα-helixtrans-68.4-41.6-180-65.6-176172.900112.5D610 A616D610-E612 VanDerWaalsContact C-N 3.31Å; D610-E612 PolarHBondContact O-N 2.7Å; E612-A616 PolarHBondContact O-N 3.41Å; E612-A616 VanDerWaalsContact O-N 3.15Å
613E82.9Confident83.3Confident84 Ų8479.3 Ų79.339%0.39341%0.411SS..Hα-helixtrans-70.5-38.2178.2-167.4-174.7164.900111.2D610 A616 K617D610-E613 PolarHBondContact O-N 3.26Å; D610-E613 VanDerWaalsContact O-N 3.13Å; E613-A616 PolarHBondContact O-N 2.91Å; E613-K617 HydrophobicContact CG-CD 4.37Å; E613-K617 WeakPolarHBondContact O-CB 3.35Å; E613-K617 PolarHBondContact O-N 3.43Å; E613-K617 WeakPolarHBondContact OE1-CE 3.42Å; E613-K617 IonicContact OE1-NZ 2.95Å; E613-K617 PolarHBondContact OE1-NZ 3.08Å
614R82.8Confident83.9Confident103 Ų10379.4 Ų79.439%0.38941%0.413SS..Hα-helixtrans-58.2-50174.5-175.1-164.666.6-170.4-2.6110.9L606 L609 D610 A616 K617 L618L606-R614 HydrophobicContact CB-CG 4.07Å; L609-R614 HydrophobicContact CB-CB 4.33Å; D610-R614 VanDerWaalsContact O-CB 3.31Å; D610-R614 WeakPolarHBondContact O-CB 3.45Å; D610-R614 PolarHBondContact O-N 2.82Å; R614-A616 VanDerWaalsContact C-N 3.35Å; R614-A616 PolarHBondContact O-N 3.26Å; R614-K617 PolarHBondContact O-N 2.94Å; R614-L618 WeakPolarHBondContact O-CB 3.5Å; R614-L618 PolarHBondContact O-N 3.31Å
615D83.4Confident84.5Confident77 Ų7775.2 Ų75.241%0.41239%0.385SS..Hα-helixtrans-68.2-36-176.2-65.4-6000111.4P611 S619P611-D615 WeakPolarHBondContact O-CB 3.28Å; P611-D615 PolarHBondContact O-N 2.88Å; D615-S619 WeakPolarHBondContact O-CB 3.38Å; D615-S619 PolarHBondContact O-N 3.46Å; D615-S619 PolarHBondContact O-OG 3.34Å
616A86.2Confident85.2Confident63 Ų6377.3 Ų77.352%0.52140%0.395SS..Hα-helixtrans-64.5-49.5174.300000112.5E612 E613 R614 S619 E620E612-A616 PolarHBondContact O-N 3.41Å; E612-A616 VanDerWaalsContact O-N 3.15Å; E613-A616 PolarHBondContact O-N 2.91Å; R614-A616 VanDerWaalsContact C-N 3.35Å; R614-A616 PolarHBondContact O-N 3.26Å; A616-S619 WeakPolarHBondContact O-CB 3.33Å; A616-S619 PolarHBondContact O-N 3.02Å; A616-E620 PolarHBondContact O-N 3.24Å; A616-E620 VanDerWaalsContact O-N 3.08Å
617K85.7Confident85.9Confident67 Ų6778 Ų7829%0.29140%0.399SS..Hα-helixtrans-66.8-36.5178.6-81.1179.1172.5165.60113L606 L609 E613 R614 S619 E620 L621L606-K617 HydrophobicContact CD2-CB 3.86Å; L606-K617 HydrophobicContact CD2-CD 4.16Å; L609-K617 HydrophobicContact CD1-CD 3.72Å; E613-K617 HydrophobicContact CG-CD 4.37Å; E613-K617 WeakPolarHBondContact O-CB 3.35Å; E613-K617 PolarHBondContact O-N 3.43Å; E613-K617 WeakPolarHBondContact OE1-CE 3.42Å; E613-K617 IonicContact OE1-NZ 2.95Å; E613-K617 PolarHBondContact OE1-NZ 3.08Å; R614-K617 PolarHBondContact O-N 2.94Å; K617-S619 VanDerWaalsContact C-N 3.33Å; K617-E620 PolarHBondContact O-N 2.98Å; K617-L621 PolarHBondContact O-N 3.18Å
618L86.8Confident86.8Confident38 Ų3874.5 Ų74.520%0.19937%0.371CS..Hα-helixtrans-63.3-42.8174.2-176.661.5000110.9L595 V603 L606 R614 E620 L621 I622L595-L618 HydrophobicContact CD2-CD1 3.8Å; V603-L618 HydrophobicContact CG2-CD1 4.13Å; L606-L618 HydrophobicContact CD1-CB 4.03Å; L606-L618 HydrophobicContact CD1-CD1 4.07Å; R614-L618 WeakPolarHBondContact O-CB 3.5Å; R614-L618 PolarHBondContact O-N 3.31Å; L618-E620 VanDerWaalsContact C-N 3.34Å; L618-E620 PolarHBondContact O-N 3.34Å; L618-L621 PolarHBondContact O-N 2.86Å; L618-I622 HydrophobicContact CD1-CD1 4.28Å; L618-I622 HydrophobicContact CD1-CG1 4.5Å; L618-I622 HydrophobicContact CG-CD1 3.97Å; L618-I622 VanDerWaalsContact O-CG1 3.31Å; L618-I622 WeakPolarHBondContact O-CG1 3.36Å; L618-I622 PolarHBondContact O-N 2.79Å
619S87.9Confident87.7Confident74 Ų7463.2 Ų63.252%0.51733%0.329SS..Hα-helixtrans-62.2-40.9176.7-60.10000112.1D615 A616 K617 I622 Q623D615-S619 WeakPolarHBondContact O-CB 3.38Å; D615-S619 PolarHBondContact O-N 3.46Å; D615-S619 PolarHBondContact O-OG 3.34Å; A616-S619 WeakPolarHBondContact O-CB 3.33Å; A616-S619 PolarHBondContact O-N 3.02Å; K617-S619 VanDerWaalsContact C-N 3.33Å; S619-I622 PolarHBondContact O-N 2.87Å; S619-Q623 WeakPolarHBondContact O-CB 3.34Å; S619-Q623 PolarHBondContact O-N 3.41Å
620E89.9Confident88.4Confident102 Ų10265.6 Ų65.648%0.47734%0.338SS..Hα-helixtrans-62.3-45.2174.7-172.2-175.7-173.400111.7L471 A616 K617 L618 Q623 A624L471-E620 HydrophobicContact CD2-CG 4.08Å; A616-E620 PolarHBondContact O-N 3.24Å; A616-E620 VanDerWaalsContact O-N 3.08Å; K617-E620 PolarHBondContact O-N 2.98Å; L618-E620 VanDerWaalsContact C-N 3.34Å; L618-E620 PolarHBondContact O-N 3.34Å; E620-Q623 PolarHBondContact O-N 2.85Å; E620-A624 WeakPolarHBondContact O-CB 3.44Å; E620-A624 PolarHBondContact O-N 3.29Å
621L89.8Confident88.9Confident0 Ų060 Ų600%031%0.308CS..Hα-helixtrans-62.3-45.2177.8179.360.3000112F473 Y585 L587 L595 K617 L618 Q623 A624 L625F473-L621 HydrophobicContact CD1-CD1 4.12Å; F473-L621 HydrophobicContact CE1-CD1 4.38Å; F473-L621 HydrophobicContact CG-CD1 4.25Å; Y585-L621 HydrophobicContact CD2-CD1 3.72Å; Y585-L621 HydrophobicContact CD2-CD2 3.93Å; Y585-L621 HydrophobicContact CD2-CG 4.31Å; Y585-L621 HydrophobicContact CE2-CB 4.27Å; Y585-L621 HydrophobicContact CE2-CD1 4.1Å; Y585-L621 HydrophobicContact CE2-CD2 4.15Å; Y585-L621 HydrophobicContact CE2-CG 4.41Å; Y585-L621 HydrophobicContact CG-CD2 4.17Å; L587-L621 HydrophobicContact CD1-CD1 4.3Å; L587-L621 HydrophobicContact CD1-CD2 4.35Å; L587-L621 HydrophobicContact CD2-CD2 4.31Å; L595-L621 HydrophobicContact CD1-CD2 4.2Å; K617-L621 PolarHBondContact O-N 3.18Å; L618-L621 PolarHBondContact O-N 2.86Å; L621-Q623 VanDerWaalsContact C-N 3.35Å; L621-Q623 PolarHBondContact O-N 2.92Å; L621-A624 WeakPolarHBondContact O-CB 3.09Å; L621-A624 PolarHBondContact O-N 2.93Å; L621-L625 HydrophobicContact CD1-CG 4.48Å; L621-L625 HydrophobicContact CG-CD1 4.32Å; L621-L625 WeakPolarHBondContact O-CG 3.5Å; L621-L625 PolarHBondContact O-N 3.47Å
622I91Very high89.5Confident44 Ų4456.3 Ų56.323%0.22629%0.285CS..Hα-helixtrans-61-46.1177.3-69.1167.6000110L595 L618 S619 A624 L625 E626L595-I622 HydrophobicContact CB-CG1 4.49Å; L618-I622 HydrophobicContact CD1-CD1 4.28Å; L618-I622 HydrophobicContact CD1-CG1 4.5Å; L618-I622 HydrophobicContact CG-CD1 3.97Å; L618-I622 VanDerWaalsContact O-CG1 3.31Å; L618-I622 WeakPolarHBondContact O-CG1 3.36Å; L618-I622 PolarHBondContact O-N 2.79Å; S619-I622 PolarHBondContact O-N 2.87Å; I622-A624 VanDerWaalsContact C-N 3.28Å; I622-A624 PolarHBondContact O-N 3.25Å; I622-L625 PolarHBondContact O-N 3.5Å; I622-L625 VanDerWaalsContact O-N 3.17Å; I622-E626 HydrophobicContact CG2-CG 4.34Å; I622-E626 WeakPolarHBondContact O-CG 3.23Å; I622-E626 PolarHBondContact O-N 2.9Å
623Q91.6Very high90.1Very high100 Ų10054.5 Ų54.547%0.46727%0.27SS..Hα-helixtrans-61.1-37.7177.6-172179.923.300112.3S619 E620 L621 T627S619-Q623 WeakPolarHBondContact O-CB 3.34Å; S619-Q623 PolarHBondContact O-N 3.41Å; E620-Q623 PolarHBondContact O-N 2.85Å; L621-Q623 VanDerWaalsContact C-N 3.35Å; L621-Q623 PolarHBondContact O-N 2.92Å; Q623-T627 WeakPolarHBondContact O-CB 3.5Å; Q623-T627 PolarHBondContact O-N 2.91Å; Q623-T627 PolarHBondContact O-OG1 3.28Å
624A92.4Very high90.7Very high9 Ų952.7 Ų52.77%0.07426%0.262CS..Hα-helixtrans-64.6-46.4174.700000111.3L471 F473 V489 E620 L621 I622 T627 L628L471-A624 HydrophobicContact CD2-CB 4.36Å; F473-A624 HydrophobicContact CE1-CB 4.03Å; F473-A624 HydrophobicContact CZ-CB 4.44Å; V489-A624 HydrophobicContact CG1-CB 3.8Å; V489-A624 VanDerWaalsContact CG1-O 3.31Å; V489-A624 WeakPolarHBondContact CG1-O 3.47Å; E620-A624 WeakPolarHBondContact O-CB 3.44Å; E620-A624 PolarHBondContact O-N 3.29Å; L621-A624 WeakPolarHBondContact O-CB 3.09Å; L621-A624 PolarHBondContact O-N 2.93Å; I622-A624 VanDerWaalsContact C-N 3.28Å; I622-A624 PolarHBondContact O-N 3.25Å; A624-T627 PolarHBondContact O-N 2.91Å; A624-L628 VanDerWaalsContact O-CB 3.29Å; A624-L628 WeakPolarHBondContact O-CB 3.34Å; A624-L628 PolarHBondContact O-N 2.79Å
625L93.1Very high91.1Very high2 Ų248.3 Ų48.31%0.0125%0.246CC..Hα-helixtrans-60.5-46.1176.1-70.2172000111.8F473 I475 L587 L595 L596 L621 I622 T627 L628 T629F473-L625 HydrophobicContact CE2-CD2 3.66Å; F473-L625 HydrophobicContact CZ-CD2 4.01Å; I475-L625 HydrophobicContact CD1-CD2 3.88Å; L587-L625 HydrophobicContact CD1-CD1 4.27Å; L587-L625 HydrophobicContact CD1-CD2 4.34Å; L595-L625 HydrophobicContact CB-CD1 4.13Å; L595-L625 HydrophobicContact CD1-CD1 4.15Å; L596-L625 HydrophobicContact CD2-CB 3.72Å; L596-L625 HydrophobicContact CG-CB 4.2Å; L621-L625 HydrophobicContact CD1-CG 4.48Å; L621-L625 HydrophobicContact CG-CD1 4.32Å; L621-L625 WeakPolarHBondContact O-CG 3.5Å; L621-L625 PolarHBondContact O-N 3.47Å; I622-L625 PolarHBondContact O-N 3.5Å; I622-L625 VanDerWaalsContact O-N 3.17Å; L625-T627 PolarHBondContact O-N 2.87Å; L625-L628 PolarHBondContact O-N 3.06Å; L625-T629 WeakPolarHBondContact O-CB 3.28Å; L625-T629 PolarHBondContact O-N 3.06Å; L625-T629 PolarHBondContact O-OG1 3.39Å; L625-T629 VanDerWaalsContact O-OG1 3.1Å
626E93.5Very high91.5Very high110 Ų11047 Ų4751%0.51424%0.235SC..Hα-helixtrans-60.1-44.2177.4-73.4180160.600112.2L596 I622 T629 H630L596-E626 HydrophobicContact CD2-CG 4.2Å; I622-E626 HydrophobicContact CG2-CG 4.34Å; I622-E626 WeakPolarHBondContact O-CG 3.23Å; I622-E626 PolarHBondContact O-N 2.9Å; E626-T629 PolarHBondContact O-N 3.42Å; E626-H630 WeakPolarHBondContact O-CB 3.27Å; E626-H630 PolarHBondContact O-N 3.49Å
627T92.9Very high91.7Very high19 Ų1946 Ų4612%0.11723%0.228CC..Hα-helixtrans-66.2-42.3179.2-55.10000110.7V489 L498 Q623 A624 L625 H630 I631V489-T627 HydrophobicContact CG2-CG2 3.69Å; L498-T627 HydrophobicContact CD1-CG2 4.23Å; L498-T627 HydrophobicContact CD2-CG2 4.38Å; Q623-T627 WeakPolarHBondContact O-CB 3.5Å; Q623-T627 PolarHBondContact O-N 2.91Å; Q623-T627 PolarHBondContact O-OG1 3.28Å; A624-T627 PolarHBondContact O-N 2.91Å; L625-T627 PolarHBondContact O-N 2.87Å; T627-H630 PolarHBondContact O-N 3Å; T627-I631 HydrophobicContact CG2-CD1 4.22Å; T627-I631 WeakPolarHBondContact O-CG1 3.36Å; T627-I631 PolarHBondContact O-N 3.35Å
628L94.4Very high92Very high1 Ų146.9 Ų46.91%0.00523%0.233CC..Hα-helixtrans-61.3-48.5176.4-176.572.9000111.4F473 L487 L500 A624 L625 H630 I631 A632 T676F473-L628 HydrophobicContact CE2-CD2 4.36Å; F473-L628 HydrophobicContact CZ-CD2 4.3Å; L487-L628 HydrophobicContact CB-CD2 4.48Å; L487-L628 HydrophobicContact CD1-CD1 4.41Å; L487-L628 HydrophobicContact CD1-CD2 3.65Å; L500-L628 HydrophobicContact CD1-CD1 3.57Å; A624-L628 VanDerWaalsContact O-CB 3.29Å; A624-L628 WeakPolarHBondContact O-CB 3.34Å; A624-L628 PolarHBondContact O-N 2.79Å; L625-L628 PolarHBondContact O-N 3.06Å; L628-H630 VanDerWaalsContact C-N 3.31Å; L628-H630 PolarHBondContact O-N 3.36Å; L628-I631 PolarHBondContact O-N 3.33Å; L628-A632 WeakPolarHBondContact O-CB 3.42Å; L628-A632 PolarHBondContact O-N 3Å; L628-T676 HydrophobicContact CD2-CG2 3.93Å; L628-T676 HydrophobicContact CG-CG2 3.81Å
629T93.9Very high92.2Very high5 Ų547 Ų473%0.03123%0.23CC..Hα-helixtrans-62.8-37.6177.1-610000111.6L625 E626 A632 R633 E672L625-T629 WeakPolarHBondContact O-CB 3.28Å; L625-T629 PolarHBondContact O-N 3.06Å; L625-T629 PolarHBondContact O-OG1 3.39Å; L625-T629 VanDerWaalsContact O-OG1 3.1Å; E626-T629 PolarHBondContact O-N 3.42Å; T629-A632 PolarHBondContact O-N 3.06Å; T629-R633 HydrophobicContact CG2-CG 4.43Å; T629-R633 WeakPolarHBondContact O-CB 3.47Å; T629-R633 VanDerWaalsContact O-CG 3.31Å; T629-R633 WeakPolarHBondContact O-CG 3.26Å; T629-R633 PolarHBondContact O-N 2.93Å; T629-E672 HydrophobicContact CG2-CG 4.22Å
630H93.3Very high92.3Very high104 Ų10446.5 Ų46.548%0.48122%0.222SC..Hα-helixtrans-61.1-45.7174.1-179.265.8000112.2E626 T627 L628 H634E626-H630 WeakPolarHBondContact O-CB 3.27Å; E626-H630 PolarHBondContact O-N 3.49Å; T627-H630 PolarHBondContact O-N 3Å; L628-H630 VanDerWaalsContact C-N 3.31Å; L628-H630 PolarHBondContact O-N 3.36Å; H630-H634 PolarHBondContact O-N 2.98Å
631I93.7Very high92.3Very high1 Ų149.1 Ų49.11%0.00523%0.228CC..Hα-helixtrans-62.7-47.4176.3-65164.2000110.4V489 L498 L500 L564 L569 T627 L628 R633 H634 L635V489-I631 HydrophobicContact CG2-CD1 4.06Å; L498-I631 HydrophobicContact CD1-CD1 4.29Å; L498-I631 HydrophobicContact CD1-CG1 4.49Å; L500-I631 HydrophobicContact CD2-CG2 4.18Å; L564-I631 HydrophobicContact CD1-CD1 4.19Å; L564-I631 HydrophobicContact CD1-CG1 4.4Å; L564-I631 HydrophobicContact CD1-CG2 3.95Å; L569-I631 HydrophobicContact CD2-CG1 4.17Å; T627-I631 HydrophobicContact CG2-CD1 4.22Å; T627-I631 WeakPolarHBondContact O-CG1 3.36Å; T627-I631 PolarHBondContact O-N 3.35Å; L628-I631 PolarHBondContact O-N 3.33Å; I631-R633 PolarHBondContact O-N 3.19Å; I631-H634 WeakPolarHBondContact O-CB 3.44Å; I631-H634 PolarHBondContact O-N 2.7Å; I631-H634 VanDerWaalsContact O-N 3.13Å; I631-L635 HydrophobicContact CG2-CD1 4.03Å; I631-L635 HydrophobicContact CG2-CG 4.26Å; I631-L635 WeakPolarHBondContact O-CG 3.49Å; I631-L635 PolarHBondContact O-N 3.18Å
632A93.9Very high92.1Very high3 Ų351 Ų513%0.02525%0.246CC..Hα-helixtrans-62-42.8-178.700000112.8L628 T629 H634 L635 R636 T676 E679L628-A632 WeakPolarHBondContact O-CB 3.42Å; L628-A632 PolarHBondContact O-N 3Å; T629-A632 PolarHBondContact O-N 3.06Å; A632-H634 VanDerWaalsContact C-N 3.27Å; A632-H634 PolarHBondContact O-N 3.38Å; A632-L635 PolarHBondContact O-N 3.3Å; A632-R636 WeakPolarHBondContact O-CB 3.45Å; A632-R636 PolarHBondContact O-N 3Å; A632-T676 HydrophobicContact CB-CG2 3.79Å; A632-E679 HydrophobicContact CB-CB 4.15Å
633R93.9Very high92Very high138 Ų13848.9 Ų48.952%0.52124%0.236SC..Hα-helixtrans-56.9-41.1173.5-75.5174.2-178.3155.21111.8T629 I631 A637 E672T629-R633 HydrophobicContact CG2-CG 4.43Å; T629-R633 WeakPolarHBondContact O-CB 3.47Å; T629-R633 VanDerWaalsContact O-CG 3.31Å; T629-R633 WeakPolarHBondContact O-CG 3.26Å; T629-R633 PolarHBondContact O-N 2.93Å; I631-R633 PolarHBondContact O-N 3.19Å; R633-A637 WeakPolarHBondContact O-CB 3.5Å; R633-A637 PolarHBondContact O-N 3.49Å; R633-E672 IonicContact CZ-OE1 3.05Å; R633-E672 IonicContact CZ-OE2 3.98Å; R633-E672 IonicContact NE-OE1 2.67Å; R633-E672 PolarHBondContact NE-OE1 3.12Å; R633-E672 IonicContact NH2-OE1 3.66Å; R633-E672 PolarHBondContact NH2-OE1 2.92Å; R633-E672 IonicContact NH2-OE2 2.7Å; R633-E672 PolarHBondContact NH2-OE2 2.77Å
634H93.4Very high91.9Very high47 Ų4744.4 Ų44.422%0.21822%0.216CC..Hα-helixtrans-67.8-44.5177.4175.3-108.4000112.5L569 H630 I631 A632 R636 A637 Q638L569-H634 WeakPolarHBondContact CB-ND1 3.46Å; L569-H634 HydrophobicContact CD1-CB 3.54Å; H630-H634 PolarHBondContact O-N 2.98Å; I631-H634 WeakPolarHBondContact O-CB 3.44Å; I631-H634 PolarHBondContact O-N 2.7Å; I631-H634 VanDerWaalsContact O-N 3.13Å; A632-H634 VanDerWaalsContact C-N 3.27Å; A632-H634 PolarHBondContact O-N 3.38Å; H634-R636 VanDerWaalsContact C-N 3.34Å; H634-R636 PolarHBondContact O-N 2.95Å; H634-A637 PolarHBondContact O-N 3.47Å; H634-Q638 PolarHBondContact CE1-NE2 3.41Å; H634-Q638 PolarHBondContact NE2-NE2 3.21Å; H634-Q638 WeakPolarHBondContact O-CG 3.32Å; H634-Q638 PolarHBondContact O-N 3.33Å
635L91.9Very high91.6Very high11 Ų1144.9 Ų44.96%0.05822%0.217CC..Hα-helixtrans-60.6-43.9176.3-67.2177.8000111.4I631 A632 Q638 R639 Y683I631-L635 HydrophobicContact CG2-CD1 4.03Å; I631-L635 HydrophobicContact CG2-CG 4.26Å; I631-L635 WeakPolarHBondContact O-CG 3.49Å; I631-L635 PolarHBondContact O-N 3.18Å; A632-L635 PolarHBondContact O-N 3.3Å; L635-Q638 WeakPolarHBondContact O-CB 3.38Å; L635-Q638 PolarHBondContact O-N 2.91Å; L635-R639 PolarHBondContact O-N 2.71Å; L635-Y683 HydrophobicContact CD1-CD1 4.19Å; L635-Y683 HydrophobicContact CD1-CD2 4.18Å; L635-Y683 HydrophobicContact CD1-CG 3.94Å; L635-Y683 HydrophobicContact CD2-CD2 3.97Å; L635-Y683 HydrophobicContact CD2-CE1 4.49Å; L635-Y683 HydrophobicContact CD2-CE2 3.7Å; L635-Y683 HydrophobicContact CD2-CG 4.46Å
636R91.4Very high91.1Very high48 Ų4848 Ų4818%0.18123%0.232CC..Hα-helixtrans-58.7-50.2174.2-173.3175.3177.4174.57111.8A632 H634 Q638 R639 D640 E646 E675 E679A632-R636 WeakPolarHBondContact O-CB 3.45Å; A632-R636 PolarHBondContact O-N 3Å; H634-R636 VanDerWaalsContact C-N 3.34Å; H634-R636 PolarHBondContact O-N 2.95Å; R636-Q638 PolarHBondContact O-N 3.28Å; R636-Q638 VanDerWaalsContact O-N 3.16Å; R636-R639 CarbonylContact O-C 3.56Å; R636-R639 WeakPolarHBondContact O-CA 3.41Å; R636-R639 VanDerWaalsContact O-CB 3.32Å; R636-R639 WeakPolarHBondContact O-CB 3.3Å; R636-R639 PolarHBondContact O-N 3.43Å; R636-D640 VanDerWaalsContact O-CG 3.26Å; R636-D640 PolarHBondContact O-N 3.06Å; R636-E646 IonicContact CZ-OE2 2.96Å; R636-E646 IonicContact NH2-OE1 2.81Å; R636-E646 PolarHBondContact NH2-OE1 2.84Å; R636-E646 IonicContact NH2-OE2 3.82Å; R636-E646 PolarHBondContact NH2-OE2 2.77Å; R636-E675 IonicContact CZ-OE1 2.73Å; R636-E675 IonicContact CZ-OE2 3.76Å; R636-E675 IonicContact NH1-OE1 3.29Å; R636-E675 PolarHBondContact NH1-OE1 2.92Å; R636-E675 IonicContact NH1-OE2 3.23Å; R636-E675 PolarHBondContact NH1-OE2 2.91Å; R636-E675 IonicContact NH2-OE1 2.83Å; R636-E675 PolarHBondContact NH2-OE1 3.46Å; R636-E679 HydrophobicContact CB-CG 3.97Å
637A91.8Very high90.4Very high44 Ų4444.7 Ų44.736%0.36422%0.217SC..Hα-helixtrans-61.1-27.4178.500000113.4R633 H634 R641R633-A637 WeakPolarHBondContact O-CB 3.5Å; R633-A637 PolarHBondContact O-N 3.49Å; H634-A637 PolarHBondContact O-N 3.47Å; A637-R641 VanDerWaalsContact O-CG 3.27Å; A637-R641 WeakPolarHBondContact O-CG 3.41Å; A637-R641 PolarHBondContact O-N 2.99Å; A637-R641 PolarHBondContact O-NE 2.92Å; A637-R641 VanDerWaalsContact O-NE 3.15Å
638Q90.5Very high89Confident85 Ų8547.9 Ų47.940%0.39723%0.231SC..Hα-helixtrans-69.5-44.6169.3-71.5-176.1-8.300111.8H634 L635 R636 R641 G642H634-Q638 PolarHBondContact CE1-NE2 3.41Å; H634-Q638 PolarHBondContact NE2-NE2 3.21Å; H634-Q638 WeakPolarHBondContact O-CG 3.32Å; H634-Q638 PolarHBondContact O-N 3.33Å; L635-Q638 WeakPolarHBondContact O-CB 3.38Å; L635-Q638 PolarHBondContact O-N 2.91Å; R636-Q638 PolarHBondContact O-N 3.28Å; R636-Q638 VanDerWaalsContact O-N 3.16Å; Q638-R641 PolarHBondContact O-N 3.29Å; Q638-G642 PolarHBondContact O-N 3.09Å
639R92.3Very high87.5Confident39 Ų3950 Ų5015%0.14725%0.253CS..Hα-helixtrans-63.3-44.5178.6-143.9168.552.179.31.7111.5L635 R636 R641 G642 G643 A644 E679 L783L635-R639 PolarHBondContact O-N 2.71Å; R636-R639 CarbonylContact O-C 3.56Å; R636-R639 WeakPolarHBondContact O-CA 3.41Å; R636-R639 VanDerWaalsContact O-CB 3.32Å; R636-R639 WeakPolarHBondContact O-CB 3.3Å; R636-R639 PolarHBondContact O-N 3.43Å; R639-R641 VanDerWaalsContact C-N 3.34Å; R639-R641 PolarHBondContact O-N 3Å; R639-G642 CarbonylContact O-C 3.53Å; R639-G642 WeakPolarHBondContact O-CA 3.5Å; R639-G642 PolarHBondContact O-N 2.93Å; R639-G643 PolarHBondContact O-N 3.15Å; R639-A644 HydrophobicContact CB-CB 4.08Å; R639-A644 HydrophobicContact CG-CB 3.83Å; R639-A644 WeakPolarHBondContact O-CB 3.42Å; R639-A644 PolarHBondContact O-N 2.97Å; R639-A644 VanDerWaalsContact O-N 3.12Å; R639-E679 IonicContact CZ-OE1 3.73Å; R639-E679 VanDerWaalsContact CZ-OE1 3.28Å; R639-E679 IonicContact CZ-OE2 2.79Å; R639-E679 IonicContact NE-OE1 2.91Å; R639-E679 PolarHBondContact NE-OE1 3.09Å; R639-E679 VanDerWaalsContact NE-OE1 3.14Å; R639-E679 IonicContact NE-OE2 3.67Å; R639-E679 PolarHBondContact NE-OE2 3.35Å; R639-E679 IonicContact NH2-OE1 3.22Å; R639-E679 PolarHBondContact NH2-OE1 3.13Å; R639-E679 IonicContact NH2-OE2 2.67Å; R639-L783 WeakPolarHBondContact CG-O 3.31Å
640D89.7Confident86.2Confident65 Ų6551.2 Ų51.235%0.34826%0.26SS..Hα-helixtrans-61.8-41.7177.2-62.8-16.6000111.2R636 G642 G643R636-D640 VanDerWaalsContact O-CG 3.26Å; R636-D640 PolarHBondContact O-N 3.06Å; D640-G642 PolarHBondContact O-N 2.97Å; D640-G643 PolarHBondContact O-N 3.35Å
641R89.5Confident85.3Confident157 Ų15751.9 Ų51.959%0.59226%0.264SS*.Hα-helixtrans-59.9-30.7173-79.1-175.6-70.8-178.5-3.1113A637 Q638 R639 G643 K733A637-R641 VanDerWaalsContact O-CG 3.27Å; A637-R641 WeakPolarHBondContact O-CG 3.41Å; A637-R641 PolarHBondContact O-N 2.99Å; A637-R641 PolarHBondContact O-NE 2.92Å; A637-R641 VanDerWaalsContact O-NE 3.15Å; Q638-R641 PolarHBondContact O-N 3.29Å; R639-R641 VanDerWaalsContact C-N 3.34Å; R639-R641 PolarHBondContact O-N 3Å; R641-G643 VanDerWaalsContact C-N 3.3Å; R641-K733 PolarHBondContact O-NZ 3.41Å
642G85.7Confident84.6Confident38 Ų3852.8 Ų52.839%0.39227%0.269SS..THydrogen-bonded Turntrans-77.5-7.4173.200000114.7Q638 R639 D640 N732 A784Q638-G642 PolarHBondContact O-N 3.09Å; R639-G642 CarbonylContact O-C 3.53Å; R639-G642 WeakPolarHBondContact O-CA 3.5Å; R639-G642 PolarHBondContact O-N 2.93Å; D640-G642 PolarHBondContact O-N 2.97Å; G642-N732 PolarHBondContact O-ND2 2.89Å; G642-A784 VanDerWaalsContact O-CB 3.29Å; G642-A784 WeakPolarHBondContact O-CB 3.4Å
643G88.6Confident83.9Confident0 Ų060.9 Ų60.90%030%0.299CS..THydrogen-bonded Turntrans88.534.6-179.100000113.7R639 D640 R641 N732R639-G643 PolarHBondContact O-N 3.15Å; D640-G643 PolarHBondContact O-N 3.35Å; R641-G643 VanDerWaalsContact C-N 3.3Å; G643-N732 WeakPolarHBondContact O-CB 3.48Å; G643-N732 PolarHBondContact O-ND2 3.29Å
644A90.1Very high83.3Confident6 Ų655 Ų555%0.0528%0.28CS..  trans-59.3141.2168.700000111.3R639 A784R639-A644 HydrophobicContact CB-CB 4.08Å; R639-A644 HydrophobicContact CG-CB 3.83Å; R639-A644 WeakPolarHBondContact O-CB 3.42Å; R639-A644 PolarHBondContact O-N 2.97Å; R639-A644 VanDerWaalsContact O-N 3.12Å; A644-A784 HydrophobicContact CB-CB 4.47Å
645L87.1Confident82.7Confident19 Ų1957.3 Ų57.310%0.09929%0.291CS..  trans-105.5118.2-178-73.2164.4000110L647 N732 L735 A736 M762 Y781 G782L645-L647 HydrophobicContact CB-CD1 4.08Å; L645-L647 HydrophobicContact CB-CG 4.01Å; L645-L647 PolarHBondContact O-N 3.48Å; L645-N732 HydrophobicContact CD1-CB 4.28Å; L645-L735 HydrophobicContact CD1-CD2 4.12Å; L645-L735 HydrophobicContact CD2-CB 4.18Å; L645-L735 HydrophobicContact CD2-CD2 3.98Å; L645-L735 HydrophobicContact CD2-CG 3.93Å; L645-A736 HydrophobicContact CD2-CB 3.77Å; L645-M762 HydrophobicContact CD1-CE 4.01Å; L645-M762 HydrophobicContact CD1-SD 4.36Å; L645-Y781 HydrophobicContact CD1-CD1 3.97Å; L645-Y781 HydrophobicContact CD1-CE1 3.53Å; L645-G782 PolarHBondContact N-O 3.17Å
646E82.4Confident82.1Confident69 Ų6959.5 Ų59.532%0.32230%0.302SS..  trans-92.198.6170.7-172.1171.3-172.500109.7R636 E648 R755R636-E646 IonicContact CZ-OE2 2.96Å; R636-E646 IonicContact NH2-OE1 2.81Å; R636-E646 PolarHBondContact NH2-OE1 2.84Å; R636-E646 IonicContact NH2-OE2 3.82Å; R636-E646 PolarHBondContact NH2-OE2 2.77Å; E646-E648 HydrophobicContact CG-CG 4.29Å; E646-R755 PolarHBondContact O-NH1 3.44Å
647L77.2Confident81.4Confident40 Ų4060 Ų6021%0.20931%0.308CS..  trans-118.370-173.5-64.3178.2000109.1L645 L739 R755 A758 T759 M762L645-L647 HydrophobicContact CB-CD1 4.08Å; L645-L647 HydrophobicContact CB-CG 4.01Å; L645-L647 PolarHBondContact O-N 3.48Å; L647-L739 HydrophobicContact CD2-CD1 4.09Å; L647-R755 HydrophobicContact CD2-CB 4.36Å; L647-A758 HydrophobicContact CD2-CB 3.91Å; L647-T759 WeakPolarHBondContact CB-OG1 3.36Å; L647-M762 HydrophobicContact CD1-CE 4.1Å; L647-M762 HydrophobicContact CD1-CG 3.81Å; L647-M762 HydrophobicContact CD1-SD 4.47Å
648E65.1Low80.6Confident85 Ų8564.6 Ų64.640%0.39732%0.322SS..  trans-75.6133.2178.1-66.4-164.514900111.7E646E646-E648 HydrophobicContact CG-CG 4.29Å
649G62.9Low79.7Confident46 Ų4666.9 Ų66.947%0.47434%0.337SS..  trans-97.3158.5165.100000110.8E651G649-E651 PolarHBondContact O-N 2.95Å
650V66.8Low78.7Confident31 Ų3171 Ų7119%0.18836%0.356CS..  trans-78101.4168-176.20000107.9V652 P667 R752 M756 F887V650-V652 HydrophobicContact CG1-CG2 4.1Å; V650-P667 HydrophobicContact CG1-CB 4.03Å; V650-R752 HydrophobicContact CG2-CG 4.49Å; V650-M756 HydrophobicContact CG2-CE 4.45Å; V650-F887 HydrophobicContact CB-CZ 3.9Å; V650-F887 HydrophobicContact CG2-CE1 4.13Å; V650-F887 HydrophobicContact CG2-CZ 3.7Å
651E73.3Confident78.1Confident117 Ų11771.6 Ų71.655%0.54736%0.359SS..  trans-84.5130.1170-67.1-175.3165.600109.3G649 P667 R668G649-E651 PolarHBondContact O-N 2.95Å; E651-P667 WeakPolarHBondContact O-CA 3.45Å; E651-R668 HydrophobicContact CB-CB 4.34Å; E651-R668 PolarHBondContact O-N 3.09Å; E651-R668 IonicContact OE2-NH1 3.99Å; E651-R668 PolarHBondContact OE2-NH1 2.76Å
652V79.3Confident77.7Confident21 Ų2164.9 Ų64.913%0.12734%0.335CS..EExtended strand (participates in β ladder)trans-115.8132.5178.3177.90000109.2V650 L665 P667V650-V652 HydrophobicContact CG1-CG2 4.1Å; V652-L665 HydrophobicContact CG1-CB 3.8Å; V652-L665 HydrophobicContact CG1-CD2 4.39Å; V652-P667 HydrophobicContact CG2-CB 4.35Å
653R79.3Confident77.4Confident173 Ų17366 Ų6665%0.65334%0.335SS*.EExtended strand (participates in β ladder)trans-110133.2177.9-164.7174.8-178.5177.9-0.4109.7V666R653-V666 PolarHBondContact N-O 3.29Å; R653-V666 PolarHBondContact O-N 2.87Å
654A80.9Confident77Confident13 Ų1367.3 Ų67.311%0.10735%0.345CS..EExtended strand (participates in β ladder)trans-76.7126.1169.800000109.4I662 L665 F854A654-I662 HydrophobicContact CB-CG2 4.32Å; A654-L665 HydrophobicContact CB-CD2 3.91Å; A654-F854 HydrophobicContact CB-CB 4.36Å; A654-F854 HydrophobicContact CB-CD1 4.15Å
655Q80.4Confident76.6Confident97 Ų9767.8 Ų67.845%0.45335%0.346SS..EExtended strand (participates in β ladder)trans-89.3126.1169-69.5-172.9-7.500108.9T663 A664 V666Q655-T663 PolarHBondContact O-N 3.01Å; Q655-T663 PolarHBondContact O-OG1 3.39Å; Q655-T663 VanDerWaalsContact O-OG1 3.14Å; Q655-A664 HydrophobicContact CB-CB 4.48Å; Q655-A664 PolarHBondContact N-O 3.28Å; Q655-V666 HydrophobicContact CG-CG2 4.18Å
656L79.6Confident76.3Confident56 Ų5669.5 Ų69.529%0.29336%0.358SS..EExtended strand (participates in β ladder)trans-109.6142.2-179.4-55.9177.3000109.6D532 N661 I662 F854D532-L656 HydrophobicContact CB-CD1 3.66Å; L656-N661 CarbonylContact C-O 3.58Å; L656-N661 VanDerWaalsContact CA-O 3.29Å; L656-N661 WeakPolarHBondContact CA-O 3.43Å; L656-I662 HydrophobicContact CD2-CB 4.32Å; L656-I662 HydrophobicContact CD2-CG1 3.69Å; L656-F854 HydrophobicContact CD1-CE1 4.27Å; L656-F854 HydrophobicContact CD2-CD1 4.2Å; L656-F854 HydrophobicContact CD2-CE1 3.93Å
657D78.2Confident76.1Confident58 Ų5868.6 Ų68.631%0.3136%0.358SS..  trans-80.3-177168.569.616.5000111.9D659 K660 N661 T663D657-D659 PolarHBondContact O-N 2.78Å; D657-D659 VanDerWaalsContact OD1-C 3.27Å; D657-D659 WeakPolarHBondContact OD1-CA 3.32Å; D657-D659 PolarHBondContact OD1-N 3.36Å; D657-K660 PolarHBondContact O-N 3.04Å; D657-K660 VanDerWaalsContact O-N 3.09Å; D657-K660 PolarHBondContact OD1-N 3.25Å; D657-N661 PolarHBondContact N-O 3.41Å; D657-N661 PolarHBondContact OD1-N 3.24Å; D657-N661 WeakPolarHBondContact OD2-CB 3.31Å; D657-N661 PolarHBondContact OD2-ND2 2.81Å; D657-T663 HydrophobicContact CB-CG2 3.9Å
658Q73.6Confident76.1Confident141 Ų14173.1 Ų73.166%0.65937%0.372SS*.THydrogen-bonded Turntrans-64.1-26.7179.4-69.6179.8-8.300113K660Q658-K660 VanDerWaalsContact C-N 3.27Å
659D71.9Confident76.5Confident133 Ų13373.6 Ų73.671%0.71138%0.375SS*.THydrogen-bonded Turntrans-917.1178.6-61.2-39.3000111.7D657 N661D657-D659 PolarHBondContact O-N 2.78Å; D657-D659 VanDerWaalsContact OD1-C 3.27Å; D657-D659 WeakPolarHBondContact OD1-CA 3.32Å; D657-D659 PolarHBondContact OD1-N 3.36Å; D659-N661 VanDerWaalsContact C-N 3.31Å; D659-N661 PolarHBondContact O-N 3.36Å
660K70.9Confident77.2Confident127 Ų12775 Ų7555%0.55238%0.375SS*.  trans66.321.5-177.8-54.1-178178.3-178.40115.1D657 Q658D657-K660 PolarHBondContact O-N 3.04Å; D657-K660 VanDerWaalsContact O-N 3.09Å; D657-K660 PolarHBondContact OD1-N 3.25Å; Q658-K660 VanDerWaalsContact C-N 3.27Å
661N77.4Confident78.2Confident76 Ų7674.4 Ų74.441%0.40637%0.371SS..  trans-82149.1171.8-49-57.8000111L656 D657 D659 T663L656-N661 CarbonylContact C-O 3.58Å; L656-N661 VanDerWaalsContact CA-O 3.29Å; L656-N661 WeakPolarHBondContact CA-O 3.43Å; D657-N661 PolarHBondContact N-O 3.41Å; D657-N661 PolarHBondContact OD1-N 3.24Å; D657-N661 WeakPolarHBondContact OD2-CB 3.31Å; D657-N661 PolarHBondContact OD2-ND2 2.81Å; D659-N661 VanDerWaalsContact C-N 3.31Å; D659-N661 PolarHBondContact O-N 3.36Å; N661-T663 PolarHBondContact O-N 2.97Å
662I81.8Confident78.9Confident17 Ų1770.9 Ų70.99%0.08735%0.354CS..EExtended strand (participates in β ladder)trans-84.8112-176-49.3172.2000110A654 L656 F854 L857 F858A654-I662 HydrophobicContact CB-CG2 4.32Å; L656-I662 HydrophobicContact CD2-CB 4.32Å; L656-I662 HydrophobicContact CD2-CG1 3.69Å; I662-F854 HydrophobicContact CD1-CB 4.13Å; I662-F854 HydrophobicContact CD1-CD1 3.6Å; I662-F854 HydrophobicContact CD1-CE1 4.38Å; I662-F854 HydrophobicContact CD1-CG 4.21Å; I662-F854 VanDerWaalsContact CD1-O 3.28Å; I662-F854 WeakPolarHBondContact CD1-O 3.32Å; I662-F854 HydrophobicContact CG1-CD1 4.01Å; I662-L857 HydrophobicContact CD1-CB 3.71Å; I662-F858 HydrophobicContact CB-CD2 4.23Å; I662-F858 HydrophobicContact CD1-CB 4.38Å; I662-F858 HydrophobicContact CG2-CB 4.2Å; I662-F858 HydrophobicContact CG2-CD2 3.65Å; I662-F858 HydrophobicContact CG2-CG 4.34Å
663T77.8Confident79.4Confident62 Ų6270 Ų7038%0.3835%0.349SS..EExtended strand (participates in β ladder)trans-88.1-40.8-178.354.50000112.4Q655 D657 N661Q655-T663 PolarHBondContact O-N 3.01Å; Q655-T663 PolarHBondContact O-OG1 3.39Å; Q655-T663 VanDerWaalsContact O-OG1 3.14Å; D657-T663 HydrophobicContact CB-CG2 3.9Å; N661-T663 PolarHBondContact O-N 2.97Å
664A80.1Confident79.9Confident26 Ų2663.2 Ų63.222%0.21532%0.324CS..EExtended strand (participates in β ladder)trans-155.3156-178.700000112.3Q655 V666Q655-A664 HydrophobicContact CB-CB 4.48Å; Q655-A664 PolarHBondContact N-O 3.28Å; A664-V666 HydrophobicContact CB-CG2 4.05Å
665L81.9Confident80.3Confident16 Ų1664.9 Ų64.98%0.08433%0.33CS..EExtended strand (participates in β ladder)trans-108.5115166.4-67.8176.2000107V652 A654 Q855 F858 F859 Y891V652-L665 HydrophobicContact CG1-CB 3.8Å; V652-L665 HydrophobicContact CG1-CD2 4.39Å; A654-L665 HydrophobicContact CB-CD2 3.91Å; L665-Q855 HydrophobicContact CD1-CG 4.1Å; L665-F858 HydrophobicContact CD1-CB 4.15Å; L665-F858 HydrophobicContact CD1-CD1 3.71Å; L665-F858 HydrophobicContact CD1-CE1 4.28Å; L665-F858 HydrophobicContact CD1-CG 3.96Å; L665-F858 HydrophobicContact CG-CB 4.42Å; L665-F858 HydrophobicContact CG-CD1 4.17Å; L665-F858 HydrophobicContact CG-CD2 4.39Å; L665-F858 HydrophobicContact CG-CG 4.08Å; L665-F859 HydrophobicContact CD1-CE2 4.4Å; L665-Y891 HydrophobicContact CB-CD1 4Å; L665-Y891 HydrophobicContact CD1-CD1 3.89Å
666V81.2Confident80.9Confident56 Ų5660.5 Ų60.534%0.33931%0.31SS..EExtended strand (participates in β ladder)trans-117.3125.5-173.7-1760000110R653 Q655 A664R653-V666 PolarHBondContact N-O 3.29Å; R653-V666 PolarHBondContact O-N 2.87Å; Q655-V666 HydrophobicContact CG-CG2 4.18Å; A664-V666 HydrophobicContact CB-CG2 4.05Å
667P78Confident81.6Confident50 Ų5058.2 Ų58.233%0.32530%0.298SS..EExtended strand (participates in β ladder)trans-68.8137.2173.328.3-32.8000110.2V650 E651 V652 Q669V650-P667 HydrophobicContact CG1-CB 4.03Å; E651-P667 WeakPolarHBondContact O-CA 3.45Å; V652-P667 HydrophobicContact CG2-CB 4.35Å; P667-Q669 PolarHBondContact O-N 3.39Å
668R77.3Confident82.2Confident135 Ų13557.5 Ų57.551%0.50930%0.301SS..PPolyproline II helixtrans-65.9128.9175.7-174.4179-179.2-177.1-0109.7E651 H674E651-R668 HydrophobicContact CB-CB 4.34Å; E651-R668 PolarHBondContact O-N 3.09Å; E651-R668 IonicContact OE2-NH1 3.99Å; E651-R668 PolarHBondContact OE2-NH1 2.76Å; R668-H674 PolarHBondContact NH2-CD2 3.27Å; R668-H674 PolarHBondContact NH2-NE2 3.12Å; R668-H674 VanDerWaalsContact NH2-NE2 3.14Å
669Q74.6Confident83.2Confident95 Ų9551.2 Ų51.244%0.44427%0.271SS..PPolyproline II helixtrans-87.2133175.3-64.6-170-1.900110.7P667 L671P667-Q669 PolarHBondContact O-N 3.39Å; Q669-L671 PolarHBondContact O-N 3.21Å
670P77.9Confident84.3Confident74 Ų7444.9 Ų44.948%0.48124%0.237SC..PPolyproline II helixtrans-71.9128.6171.729.3-31.8000109.2
671L86.5Confident85.5Confident20 Ų2039.7 Ų39.711%0.10522%0.215CC..  trans-121.4147.4177.5-58.4175.3000107.5E590 Q593 Q669 V673 H674E590-L671 HydrophobicContact CG-CD1 4.4Å; Q593-L671 HydrophobicContact CG-CD2 4.45Å; Q669-L671 PolarHBondContact O-N 3.21Å; L671-V673 PolarHBondContact O-N 2.89Å; L671-H674 WeakPolarHBondContact CB-ND1 3.34Å; L671-H674 PolarHBondContact N-ND1 2.86Å; L671-H674 VanDerWaalsContact O-CB 3.3Å; L671-H674 WeakPolarHBondContact O-CB 3.47Å; L671-H674 PolarHBondContact O-N 3.47Å
672E88.9Confident86.4Confident42 Ų4237.1 Ų37.120%0.19620%0.201CC..Hα-helixtrans-63.7-30.4-179.1174.9165.1-142.600112.2Q593 T629 R633 H674 E675 T676Q593-E672 VanDerWaalsContact OE1-N 3.16Å; T629-E672 HydrophobicContact CG2-CG 4.22Å; R633-E672 IonicContact CZ-OE1 3.05Å; R633-E672 IonicContact CZ-OE2 3.98Å; R633-E672 IonicContact NE-OE1 2.67Å; R633-E672 PolarHBondContact NE-OE1 3.12Å; R633-E672 IonicContact NH2-OE1 3.66Å; R633-E672 PolarHBondContact NH2-OE1 2.92Å; R633-E672 IonicContact NH2-OE2 2.7Å; R633-E672 PolarHBondContact NH2-OE2 2.77Å; E672-H674 VanDerWaalsContact C-N 3.3Å; E672-H674 PolarHBondContact O-N 2.94Å; E672-E675 WeakPolarHBondContact O-CB 3.43Å; E672-E675 PolarHBondContact O-N 3.37Å; E672-T676 PolarHBondContact O-N 3.24Å; E672-T676 PolarHBondContact O-OG1 2.94Å
673V89.4Confident87Confident2 Ų238 Ų381%0.01220%0.204CC..Hα-helixtrans-64.7-34.9175.4-176.50000112I475 Y589 A592 Q593 L596 L671 E675 T676 V677I475-V673 HydrophobicContact CD1-CG1 3.87Å; I475-V673 HydrophobicContact CG2-CG1 3.66Å; Y589-V673 HydrophobicContact CD1-CB 4.35Å; Y589-V673 HydrophobicContact CD1-CG1 3.94Å; Y589-V673 HydrophobicContact CE1-CG1 4.47Å; A592-V673 HydrophobicContact CB-CG1 3.91Å; A592-V673 HydrophobicContact CB-CG2 4.15Å; Q593-V673 HydrophobicContact CB-CG2 4.05Å; L596-V673 HydrophobicContact CD1-CG2 3.57Å; L671-V673 PolarHBondContact O-N 2.89Å; V673-E675 VanDerWaalsContact C-N 3.26Å; V673-E675 PolarHBondContact O-N 2.66Å; V673-T676 PolarHBondContact O-N 3.41Å; V673-V677 HydrophobicContact CG1-CG2 4.45Å; V673-V677 WeakPolarHBondContact O-CG2 3.47Å; V673-V677 PolarHBondContact O-N 2.85Å
674H89.5Confident88Confident31 Ų3135 Ų3514%0.14419%0.186CC..Hα-helixtrans-58.4-43.2174.3-68.7132.1000110.9Y589 R668 L671 E672 A678Y589-H674 AromaticContact CD1-CD2 3.31Å; Y589-H674 WeakPolarHBondContact CD1-CD2 3.45Å; Y589-H674 AromaticContact CD1-NE2 3.82Å; Y589-H674 AromaticContact CD2-CD2 3.64Å; Y589-H674 AromaticContact CD2-NE2 3.43Å; Y589-H674 WeakPolarHBondContact CD2-NE2 3.27Å; Y589-H674 AromaticContact CE1-CD2 3.37Å; Y589-H674 WeakPolarHBondContact CE1-CD2 3.45Å; Y589-H674 AromaticContact CE2-CD2 3.69Å; Y589-H674 AromaticContact CE2-NE2 3.84Å; Y589-H674 AromaticContact CG-CD2 3.46Å; Y589-H674 VanDerWaalsContact CG-CD2 3.46Å; Y589-H674 AromaticContact CG-NE2 3.44Å; Y589-H674 AromaticContact CZ-CD2 3.59Å; R668-H674 PolarHBondContact NH2-CD2 3.27Å; R668-H674 PolarHBondContact NH2-NE2 3.12Å; R668-H674 VanDerWaalsContact NH2-NE2 3.14Å; L671-H674 WeakPolarHBondContact CB-ND1 3.34Å; L671-H674 PolarHBondContact N-ND1 2.86Å; L671-H674 VanDerWaalsContact O-CB 3.3Å; L671-H674 WeakPolarHBondContact O-CB 3.47Å; L671-H674 PolarHBondContact O-N 3.47Å; E672-H674 VanDerWaalsContact C-N 3.3Å; E672-H674 PolarHBondContact O-N 2.94Å; H674-A678 VanDerWaalsContact O-CB 3.28Å; H674-A678 WeakPolarHBondContact O-CB 3.45Å; H674-A678 PolarHBondContact O-N 2.96Å
675E89.4Confident88.8Confident49 Ų4934 Ų3423%0.22918%0.176CC..Hα-helixtrans-68.9-40178.9-53.6173.9141.300111R636 E672 V673 V677 A678 E679R636-E675 IonicContact CZ-OE1 2.73Å; R636-E675 IonicContact CZ-OE2 3.76Å; R636-E675 IonicContact NH1-OE1 3.29Å; R636-E675 PolarHBondContact NH1-OE1 2.92Å; R636-E675 IonicContact NH1-OE2 3.23Å; R636-E675 PolarHBondContact NH1-OE2 2.91Å; R636-E675 IonicContact NH2-OE1 2.83Å; R636-E675 PolarHBondContact NH2-OE1 3.46Å; E672-E675 WeakPolarHBondContact O-CB 3.43Å; E672-E675 PolarHBondContact O-N 3.37Å; V673-E675 VanDerWaalsContact C-N 3.26Å; V673-E675 PolarHBondContact O-N 2.66Å; E675-V677 PolarHBondContact O-N 2.77Å; E675-A678 PolarHBondContact O-N 3.25Å; E675-E679 WeakPolarHBondContact O-CG 3.34Å; E675-E679 PolarHBondContact O-N 3.17Å
676T92.9Very high89.5Confident5 Ų534 Ų343%0.03118%0.176CC..Hα-helixtrans-58.4-50.2178.3-61.10000111.5L628 A632 E672 V673 C680L628-T676 HydrophobicContact CD2-CG2 3.93Å; L628-T676 HydrophobicContact CG-CG2 3.81Å; A632-T676 HydrophobicContact CB-CG2 3.79Å; E672-T676 PolarHBondContact O-N 3.24Å; E672-T676 PolarHBondContact O-OG1 2.94Å; V673-T676 PolarHBondContact O-N 3.41Å; T676-C680 PolarHBondContact O-N 3.37Å; T676-C680 PolarHBondContact O-SG 3.41Å
677V93.4Very high90.2Very high7 Ų733.9 Ų33.94%0.04217%0.17CC..Hα-helixtrans-64.3-45.1177.1176.70000110.3I475 L487 Y589 V673 E675 E679 C680 M681I475-V677 HydrophobicContact CB-CG2 4.02Å; I475-V677 HydrophobicContact CD1-CG2 4.13Å; I475-V677 HydrophobicContact CG2-CG2 4.35Å; L487-V677 HydrophobicContact CD1-CG2 4.33Å; Y589-V677 HydrophobicContact CE1-CG2 4.22Å; V673-V677 HydrophobicContact CG1-CG2 4.45Å; V673-V677 WeakPolarHBondContact O-CG2 3.47Å; V673-V677 PolarHBondContact O-N 2.85Å; E675-V677 PolarHBondContact O-N 2.77Å; V677-E679 PolarHBondContact O-N 2.98Å; V677-C680 PolarHBondContact O-N 3.36Å; V677-M681 HydrophobicContact CG1-CE 4.5Å; V677-M681 HydrophobicContact CG1-CG 4.3Å; V677-M681 WeakPolarHBondContact O-CG 3.21Å; V677-M681 PolarHBondContact O-N 2.82Å
678A92.3Very high91.2Very high44 Ų4431.5 Ų31.536%0.36415%0.154SC..Hα-helixtrans-57.6-45-18000000112.8H674 E675 M681 I682H674-A678 VanDerWaalsContact O-CB 3.28Å; H674-A678 WeakPolarHBondContact O-CB 3.45Å; H674-A678 PolarHBondContact O-N 2.96Å; E675-A678 PolarHBondContact O-N 3.25Å; A678-M681 PolarHBondContact O-N 3.26Å; A678-I682 WeakPolarHBondContact O-CB 3.36Å; A678-I682 WeakPolarHBondContact O-CD1 3.43Å; A678-I682 WeakPolarHBondContact O-CG1 3.47Å; A678-I682 PolarHBondContact O-N 3.09Å
679E94.4Very high92.1Very high9 Ų925.1 Ų25.14%0.04213%0.13CC..Hα-helixtrans-64.1-42.1178-70.2-59.4152.100112.2A632 R636 R639 E675 V677 M681 I682 Y683A632-E679 HydrophobicContact CB-CB 4.15Å; R636-E679 HydrophobicContact CB-CG 3.97Å; R639-E679 IonicContact CZ-OE1 3.73Å; R639-E679 VanDerWaalsContact CZ-OE1 3.28Å; R639-E679 IonicContact CZ-OE2 2.79Å; R639-E679 IonicContact NE-OE1 2.91Å; R639-E679 PolarHBondContact NE-OE1 3.09Å; R639-E679 VanDerWaalsContact NE-OE1 3.14Å; R639-E679 IonicContact NE-OE2 3.67Å; R639-E679 PolarHBondContact NE-OE2 3.35Å; R639-E679 IonicContact NH2-OE1 3.22Å; R639-E679 PolarHBondContact NH2-OE1 3.13Å; R639-E679 IonicContact NH2-OE2 2.67Å; E675-E679 WeakPolarHBondContact O-CG 3.34Å; E675-E679 PolarHBondContact O-N 3.17Å; V677-E679 PolarHBondContact O-N 2.98Å; E679-M681 VanDerWaalsContact C-N 3.31Å; E679-M681 PolarHBondContact O-N 3.34Å; E679-I682 PolarHBondContact O-N 2.99Å; E679-Y683 VanDerWaalsContact O-CB 3.26Å; E679-Y683 WeakPolarHBondContact O-CB 3.31Å; E679-Y683 PolarHBondContact O-N 3.03Å
680C95.4Very high93.1Very high0 Ų024.9 Ų24.90%013%0.125CC..Hα-helixtrans-60.5-42.6176.4-64.50000111.3L487 V502 T676 V677 Y683 A684L487-C680 HydrophobicContact CD2-CB 3.99Å; V502-C680 HydrophobicContact CG2-CB 4.24Å; T676-C680 PolarHBondContact O-N 3.37Å; T676-C680 PolarHBondContact O-SG 3.41Å; V677-C680 PolarHBondContact O-N 3.36Å; C680-Y683 PolarHBondContact O-N 3.45Å; C680-A684 PolarHBondContact O-N 2.97Å
681M95.6Very high93.9Very high17 Ų1722.6 Ų22.68%0.08411%0.108CC..Hα-helixtrans-68.1-43.9177.3-65.3-50.7124.100112.6D485 L487 V502 I504 V677 A678 E679 Y683 A684 N685 T792D485-M681 HydrophobicContact CB-CE 3.92Å; D485-M681 HydrophobicContact CB-SD 3.88Å; D485-M681 WeakPolarHBondContact OD2-CE 3.26Å; L487-M681 HydrophobicContact CD2-CE 3.57Å; L487-M681 HydrophobicContact CG-CE 4.34Å; V502-M681 HydrophobicContact CG1-CE 3.8Å; V502-M681 HydrophobicContact CG1-SD 4.03Å; V502-M681 HydrophobicContact CG2-CE 4.25Å; I504-M681 HydrophobicContact CD1-SD 4.14Å; V677-M681 HydrophobicContact CG1-CE 4.5Å; V677-M681 HydrophobicContact CG1-CG 4.3Å; V677-M681 WeakPolarHBondContact O-CG 3.21Å; V677-M681 PolarHBondContact O-N 2.82Å; A678-M681 PolarHBondContact O-N 3.26Å; E679-M681 VanDerWaalsContact C-N 3.31Å; E679-M681 PolarHBondContact O-N 3.34Å; M681-Y683 PolarHBondContact O-N 3.38Å; M681-A684 PolarHBondContact O-N 2.99Å; M681-N685 WeakPolarHBondContact O-CB 3.32Å; M681-N685 VanDerWaalsContact O-CG 3.24Å; M681-N685 PolarHBondContact O-N 2.88Å; M681-N685 PolarHBondContact O-ND2 3.42Å; M681-N685 VanDerWaalsContact O-ND2 3.08Å; M681-T792 HydrophobicContact CB-CG2 4.01Å; M681-T792 HydrophobicContact CG-CG2 4.27Å; M681-T792 HydrophobicContact SD-CG2 3.5Å; M681-T792 VanDerWaalsContact SD-CG2 3.5Å
682I95.8Very high94.3Very high23 Ų2321.7 Ų21.712%0.11810%0.103CC..Hα-helixtrans-58.4-41.1175.3-71163000109.9A678 E679 N685 H686 L783 L785 Y788A678-I682 WeakPolarHBondContact O-CB 3.36Å; A678-I682 WeakPolarHBondContact O-CD1 3.43Å; A678-I682 WeakPolarHBondContact O-CG1 3.47Å; A678-I682 PolarHBondContact O-N 3.09Å; E679-I682 PolarHBondContact O-N 2.99Å; I682-N685 WeakPolarHBondContact O-CB 3.37Å; I682-N685 PolarHBondContact O-N 3.05Å; I682-H686 WeakPolarHBondContact O-CB 3.32Å; I682-H686 PolarHBondContact O-N 3.45Å; I682-L783 HydrophobicContact CD1-CD2 3.98Å; I682-L783 HydrophobicContact CG2-CD1 4.46Å; I682-L785 HydrophobicContact CG2-CD1 3.73Å; I682-Y788 HydrophobicContact CG2-CE2 4.29Å
683Y95.6Very high94.5Very high35 Ų3521.2 Ų21.214%0.13710%0.1CC..Hα-helixtrans-66.3-44.5179.1-160.1-116.2000112.8W562 V571 L635 E679 C680 M681 N685 H686 W687W562-Y683 AromaticContact CD1-CE1 3.65Å; W562-Y683 HydrophobicContact CD2-CD1 4.04Å; W562-Y683 AromaticContact CD2-CE1 3.9Å; W562-Y683 HydrophobicContact CD2-CE1 3.9Å; W562-Y683 AromaticContact CE2-CD1 3.58Å; W562-Y683 AromaticContact CE2-CE1 3.57Å; W562-Y683 HydrophobicContact CE3-CD1 4.46Å; W562-Y683 AromaticContact CG-CE1 3.98Å; W562-Y683 HydrophobicContact CG-CE1 3.98Å; W562-Y683 HydrophobicContact CH2-CD1 4.1Å; W562-Y683 AromaticContact CZ2-CD1 3.61Å; W562-Y683 HydrophobicContact CZ2-CD1 3.61Å; W562-Y683 HydrophobicContact CZ2-CE1 4.08Å; W562-Y683 HydrophobicContact CZ2-CG 4.5Å; W562-Y683 HydrophobicContact CZ3-CD1 4.5Å; W562-Y683 AromaticContact NE1-CD1 3.9Å; W562-Y683 AromaticContact NE1-CE1 3.42Å; V571-Y683 WeakPolarHBondContact CG2-OH 3.46Å; L635-Y683 HydrophobicContact CD1-CD1 4.19Å; L635-Y683 HydrophobicContact CD1-CD2 4.18Å; L635-Y683 HydrophobicContact CD1-CG 3.94Å; L635-Y683 HydrophobicContact CD2-CD2 3.97Å; L635-Y683 HydrophobicContact CD2-CE1 4.49Å; L635-Y683 HydrophobicContact CD2-CE2 3.7Å; L635-Y683 HydrophobicContact CD2-CG 4.46Å; E679-Y683 VanDerWaalsContact O-CB 3.26Å; E679-Y683 WeakPolarHBondContact O-CB 3.31Å; E679-Y683 PolarHBondContact O-N 3.03Å; C680-Y683 PolarHBondContact O-N 3.45Å; M681-Y683 PolarHBondContact O-N 3.38Å; Y683-N685 PolarHBondContact O-N 3.14Å; Y683-H686 PolarHBondContact O-N 3.17Å; Y683-W687 AromaticContact CD1-CD1 3.92Å; Y683-W687 AromaticContact CE1-CD1 3.66Å; Y683-W687 AromaticContact CE1-NE1 3.42Å; Y683-W687 AromaticContact CE2-CD1 3.94Å; Y683-W687 AromaticContact CE2-NE1 3.51Å; Y683-W687 AromaticContact CZ-CD1 3.68Å; Y683-W687 AromaticContact CZ-NE1 3.07Å; Y683-W687 PolarHBondContact O-N 2.95Å; Y683-W687 VanDerWaalsContact O-N 3.12Å; Y683-W687 PolarHBondContact OH-NE1 3.46Å; Y683-W687 VanDerWaalsContact OH-NE1 3.12Å
684A97.1Very high94.6Very high0 Ų026.8 Ų26.80%013%0.127CC..Hα-helixtrans-57.1-49.9172.700000111.8V502 W562 C680 M681 H686 W687 V688 T792V502-A684 HydrophobicContact CB-CB 4.24Å; V502-A684 HydrophobicContact CG1-CB 3.9Å; V502-A684 HydrophobicContact CG2-CB 4.38Å; W562-A684 HydrophobicContact CH2-CB 3.79Å; W562-A684 HydrophobicContact CZ2-CB 4.43Å; C680-A684 PolarHBondContact O-N 2.97Å; M681-A684 PolarHBondContact O-N 2.99Å; A684-H686 VanDerWaalsContact C-N 3.33Å; A684-H686 PolarHBondContact O-N 3.1Å; A684-W687 PolarHBondContact O-N 3.23Å; A684-V688 WeakPolarHBondContact O-CG2 3.46Å; A684-V688 PolarHBondContact O-N 2.92Å; A684-T792 HydrophobicContact CB-CG2 4.15Å
685N97.8Very high94.6Very high3 Ų326.8 Ų26.82%0.01613%0.132CC..Hα-helixtrans-57.2-43.5178.1-78.4-31.1000112.5M681 I682 Y683 A689 Y788 T789 F791 T792M681-N685 WeakPolarHBondContact O-CB 3.32Å; M681-N685 VanDerWaalsContact O-CG 3.24Å; M681-N685 PolarHBondContact O-N 2.88Å; M681-N685 PolarHBondContact O-ND2 3.42Å; M681-N685 VanDerWaalsContact O-ND2 3.08Å; I682-N685 WeakPolarHBondContact O-CB 3.37Å; I682-N685 PolarHBondContact O-N 3.05Å; Y683-N685 PolarHBondContact O-N 3.14Å; N685-A689 VanDerWaalsContact O-CB 3.3Å; N685-A689 WeakPolarHBondContact O-CB 3.39Å; N685-A689 PolarHBondContact O-N 3.23Å; N685-Y788 HydrophobicContact CB-CD2 4.07Å; N685-Y788 HydrophobicContact CB-CE2 3.5Å; N685-Y788 VanDerWaalsContact CB-CE2 3.5Å; N685-Y788 PolarHBondContact ND2-OH 3.44Å; N685-T789 WeakPolarHBondContact CB-O 3.46Å; N685-T789 VanDerWaalsContact CG-O 3.31Å; N685-F791 WeakPolarHBondContact OD1-CB 3.4Å; N685-F791 PolarHBondContact OD1-N 2.84Å; N685-T792 WeakPolarHBondContact OD1-CG2 3.46Å
686H96.4Very high94.7Very high17 Ų1725.8 Ų25.88%0.07913%0.127CC..Hα-helixtrans-63-48.8178.5174.157.3000112.5I682 Y683 A684 A689 R690 L785 D786 R787I682-H686 WeakPolarHBondContact O-CB 3.32Å; I682-H686 PolarHBondContact O-N 3.45Å; Y683-H686 PolarHBondContact O-N 3.17Å; A684-H686 VanDerWaalsContact C-N 3.33Å; A684-H686 PolarHBondContact O-N 3.1Å; H686-A689 WeakPolarHBondContact O-CB 3.42Å; H686-A689 PolarHBondContact O-N 2.76Å; H686-R690 PolarHBondContact O-N 2.96Å; H686-L785 HydrophobicContact CB-CD1 4.16Å; H686-D786 IonicContact CE1-OD1 3.92Å; H686-D786 PolarHBondContact CE1-OD1 3.33Å; H686-D786 IonicContact ND1-OD1 3.77Å; H686-D786 IonicContact NE2-OD1 2.69Å; H686-R787 PolarHBondContact ND1-O 2.85Å
687W96.8Very high94.5Very high54 Ų5428.4 Ų28.421%0.20514%0.144CC..Hα-helixtrans-68.5-38.3-178.9-84.299.7000113W562 V571 V574 F576 Y683 A684 A689 R690 K691W562-W687 AromaticContact CD1-NE1 3.95Å; W562-W687 AromaticContact CE2-CD1 3.78Å; W562-W687 HydrophobicContact CZ2-CB 4.17Å; W562-W687 AromaticContact CZ2-CD1 3.91Å; W562-W687 HydrophobicContact CZ2-CG 4.23Å; W562-W687 AromaticContact NE1-CD1 3.11Å; W562-W687 AromaticContact NE1-CD2 3.8Å; W562-W687 AromaticContact NE1-CE2 3.78Å; W562-W687 AromaticContact NE1-CG 3.39Å; W562-W687 AromaticContact NE1-NE1 3.33Å; V571-W687 HydrophobicContact CB-CZ2 4.19Å; V571-W687 HydrophobicContact CG1-CH2 4.21Å; V571-W687 HydrophobicContact CG1-CZ2 3.98Å; V571-W687 HydrophobicContact CG2-CZ2 3.93Å; V574-W687 HydrophobicContact CB-CE3 4.4Å; V574-W687 HydrophobicContact CG1-CE3 4.38Å; V574-W687 HydrophobicContact CG2-CD2 4.04Å; V574-W687 HydrophobicContact CG2-CE3 3.78Å; V574-W687 HydrophobicContact CG2-CH2 3.79Å; V574-W687 HydrophobicContact CG2-CZ2 4.06Å; V574-W687 HydrophobicContact CG2-CZ3 3.65Å; F576-W687 HydrophobicContact CE1-CB 4.18Å; F576-W687 HydrophobicContact CZ-CB 4.11Å; Y683-W687 AromaticContact CD1-CD1 3.92Å; Y683-W687 AromaticContact CE1-CD1 3.66Å; Y683-W687 AromaticContact CE1-NE1 3.42Å; Y683-W687 AromaticContact CE2-CD1 3.94Å; Y683-W687 AromaticContact CE2-NE1 3.51Å; Y683-W687 AromaticContact CZ-CD1 3.68Å; Y683-W687 AromaticContact CZ-NE1 3.07Å; Y683-W687 PolarHBondContact O-N 2.95Å; Y683-W687 VanDerWaalsContact O-N 3.12Å; Y683-W687 PolarHBondContact OH-NE1 3.46Å; Y683-W687 VanDerWaalsContact OH-NE1 3.12Å; A684-W687 PolarHBondContact O-N 3.23Å; W687-A689 VanDerWaalsContact C-N 3.33Å; W687-R690 PolarHBondContact O-N 2.7Å; W687-K691 PolarHBondContact O-N 2.95Å; W687-K691 VanDerWaalsContact O-N 3.09Å
688V97.4Very high94.3Very high0 Ų036.2 Ų36.20%017%0.174CC..Hα-helixtrans-63.9-41.4173.5172.40000110.6V560 F576 A684 R690 K691 I692 T789 F791 V803 L807V560-V688 HydrophobicContact CG2-CG2 3.77Å; F576-V688 HydrophobicContact CD1-CG2 4.2Å; F576-V688 HydrophobicContact CE1-CG2 4.02Å; A684-V688 WeakPolarHBondContact O-CG2 3.46Å; A684-V688 PolarHBondContact O-N 2.92Å; V688-R690 VanDerWaalsContact C-N 3.32Å; V688-R690 PolarHBondContact O-N 3.01Å; V688-K691 PolarHBondContact O-N 3.06Å; V688-I692 HydrophobicContact CG1-CG2 4.25Å; V688-I692 WeakPolarHBondContact O-CG1 3.41Å; V688-I692 PolarHBondContact O-N 3.41Å; V688-T789 HydrophobicContact CG1-CG2 4.38Å; V688-F791 HydrophobicContact CB-CB 4.38Å; V688-F791 HydrophobicContact CB-CG 4.33Å; V688-F791 HydrophobicContact CG1-CB 4.21Å; V688-F791 HydrophobicContact CG1-CD2 4.01Å; V688-F791 HydrophobicContact CG1-CG 4.15Å; V688-F791 HydrophobicContact CG2-CB 4.46Å; V688-F791 HydrophobicContact CG2-CD1 3.95Å; V688-F791 HydrophobicContact CG2-CD2 4.19Å; V688-F791 HydrophobicContact CG2-CE1 4.24Å; V688-F791 HydrophobicContact CG2-CE2 4.47Å; V688-F791 HydrophobicContact CG2-CG 3.93Å; V688-V803 HydrophobicContact CG1-CG1 3.52Å; V688-L807 HydrophobicContact CG1-CD2 4.14Å; V688-L807 HydrophobicContact CG2-CD2 4.12Å
689A96.9Very high94.1Very high0 Ų036.7 Ų36.70%017%0.169CC..Hα-helixtrans-57-43.4176.800000112.6N685 H686 W687 I692 Q693 L702 R787 T789N685-A689 VanDerWaalsContact O-CB 3.3Å; N685-A689 WeakPolarHBondContact O-CB 3.39Å; N685-A689 PolarHBondContact O-N 3.23Å; H686-A689 WeakPolarHBondContact O-CB 3.42Å; H686-A689 PolarHBondContact O-N 2.76Å; W687-A689 VanDerWaalsContact C-N 3.33Å; A689-I692 WeakPolarHBondContact O-CG1 3.43Å; A689-Q693 VanDerWaalsContact O-CB 3.28Å; A689-Q693 WeakPolarHBondContact O-CB 3.21Å; A689-Q693 PolarHBondContact O-N 2.97Å; A689-Q693 VanDerWaalsContact O-N 3.16Å; A689-L702 HydrophobicContact CB-CD2 3.8Å; A689-R787 HydrophobicContact CB-CB 4.04Å; A689-T789 HydrophobicContact CB-CG2 3.84Å
690R95.4Very high94Very high90 Ų9036.3 Ų36.334%0.3417%0.167SC..Hα-helixtrans-63.4-48.6175.9-67-179.571.7163.45.8111.2H686 W687 V688 I692 Q693 E694 R787H686-R690 PolarHBondContact O-N 2.96Å; W687-R690 PolarHBondContact O-N 2.7Å; V688-R690 VanDerWaalsContact C-N 3.32Å; V688-R690 PolarHBondContact O-N 3.01Å; R690-I692 PolarHBondContact O-N 3.49Å; R690-Q693 PolarHBondContact O-N 2.83Å; R690-E694 WeakPolarHBondContact O-CB 3.34Å; R690-E694 VanDerWaalsContact O-CG 3.3Å; R690-E694 WeakPolarHBondContact O-CG 3.44Å; R690-E694 PolarHBondContact O-N 3.18Å; R690-R787 HydrophobicContact CG-CB 4.09Å; R690-R787 HydrophobicContact CG-CG 4.2Å
691K95.1Very high94Very high27 Ų2736.3 Ų36.312%0.11717%0.167CC..Hα-helixtrans-57.9-47.4-178.6-176.260.1168.1-163.10113.1F576 W687 V688 A695 L807 E814F576-K691 HydrophobicContact CD2-CD 4.38Å; F576-K691 HydrophobicContact CD2-CG 4.29Å; F576-K691 HydrophobicContact CE1-CB 4.47Å; F576-K691 HydrophobicContact CE2-CB 4.3Å; F576-K691 HydrophobicContact CE2-CD 4.24Å; F576-K691 HydrophobicContact CE2-CG 4.23Å; F576-K691 HydrophobicContact CZ-CB 4.13Å; F576-K691 HydrophobicContact CZ-CG 4.49Å; W687-K691 PolarHBondContact O-N 2.95Å; W687-K691 VanDerWaalsContact O-N 3.09Å; V688-K691 PolarHBondContact O-N 3.06Å; K691-A695 PolarHBondContact O-N 3.01Å; K691-L807 HydrophobicContact CB-CD1 4.34Å; K691-L807 HydrophobicContact CG-CD1 3.71Å; K691-E814 WeakPolarHBondContact CE-OE1 3.25Å; K691-E814 WeakPolarHBondContact CE-OE2 3.34Å; K691-E814 IonicContact NZ-OE1 3.76Å; K691-E814 PolarHBondContact NZ-OE1 3.35Å; K691-E814 IonicContact NZ-OE2 3.74Å; K691-E814 PolarHBondContact NZ-OE2 3.12Å
692I94.1Very high94.1Very high0 Ų035.6 Ų35.60%016%0.163CC..Hα-helixtrans-71.7-32.7-178.965.8176.4000112.2V688 A689 R690 F696 A700 L702 T789 V803 L806 L807V688-I692 HydrophobicContact CG1-CG2 4.25Å; V688-I692 WeakPolarHBondContact O-CG1 3.41Å; V688-I692 PolarHBondContact O-N 3.41Å; A689-I692 WeakPolarHBondContact O-CG1 3.43Å; R690-I692 PolarHBondContact O-N 3.49Å; I692-F696 WeakPolarHBondContact O-CB 3.3Å; I692-F696 PolarHBondContact O-N 3.5Å; I692-A700 HydrophobicContact CD1-CB 4.27Å; I692-A700 HydrophobicContact CG1-CB 4.06Å; I692-L702 HydrophobicContact CD1-CD2 4.05Å; I692-L702 HydrophobicContact CG1-CD2 4.31Å; I692-T789 HydrophobicContact CD1-CG2 4.26Å; I692-V803 HydrophobicContact CD1-CG1 4.21Å; I692-V803 HydrophobicContact CD1-CG2 4.28Å; I692-L806 HydrophobicContact CG2-CB 4.2Å; I692-L807 HydrophobicContact CG2-CB 4.11Å; I692-L807 HydrophobicContact CG2-CD1 4.35Å
693Q92.8Very high94.1Very high32 Ų3236.7 Ų36.715%0.1517%0.166CC..Hα-helixtrans-74-35.7178.3179.2-94-31.400111.8A689 R690 F696 P697 A700 L702 T770A689-Q693 VanDerWaalsContact O-CB 3.28Å; A689-Q693 WeakPolarHBondContact O-CB 3.21Å; A689-Q693 PolarHBondContact O-N 2.97Å; A689-Q693 VanDerWaalsContact O-N 3.16Å; R690-Q693 PolarHBondContact O-N 2.83Å; Q693-F696 CarbonylContact O-C 3.57Å; Q693-P697 VanDerWaalsContact O-CA 3.28Å; Q693-P697 WeakPolarHBondContact O-CA 3.49Å; Q693-A700 HydrophobicContact CB-CB 4.44Å; Q693-L702 HydrophobicContact CB-CD1 4.47Å; Q693-T770 HydrophobicContact CG-CG2 4.31Å
694E92.1Very high94Very high120 Ų12036.8 Ų36.856%0.56117%0.166SC*.Hα-helixtrans-62.5-43.1172.1-74.6169.3-171.100111.5R690R690-E694 WeakPolarHBondContact O-CB 3.34Å; R690-E694 VanDerWaalsContact O-CG 3.3Å; R690-E694 WeakPolarHBondContact O-CG 3.44Å; R690-E694 PolarHBondContact O-N 3.18Å
695A90.6Very high93.9Very high31 Ų3137.7 Ų37.726%0.25617%0.17SC..Hα-helixtrans-74.5-37.5178.100000113.2K691 A810K691-A695 PolarHBondContact O-N 3.01Å; A695-A810 HydrophobicContact CB-CB 3.5Å
696F90.1Very high93.5Very high27 Ų2739.1 Ų39.112%0.11818%0.179CC..  trans-129.277.6-176.7-58-73.5000111.9I692 Q693 Y698 Q699 A700 L806 A809 A810I692-F696 WeakPolarHBondContact O-CB 3.3Å; I692-F696 PolarHBondContact O-N 3.5Å; Q693-F696 CarbonylContact O-C 3.57Å; F696-Y698 VanDerWaalsContact C-N 3.26Å; F696-Y698 PolarHBondContact O-N 3.44Å; F696-Y698 VanDerWaalsContact O-N 3.1Å; F696-Q699 HydrophobicContact CB-CB 4.36Å; F696-Q699 PolarHBondContact O-N 2.92Å; F696-A700 WeakPolarHBondContact O-CB 3.48Å; F696-A700 PolarHBondContact O-N 2.77Å; F696-L806 HydrophobicContact CD2-CD2 4.2Å; F696-L806 HydrophobicContact CE2-CD2 4.45Å; F696-L806 WeakPolarHBondContact CE2-O 3.48Å; F696-A809 HydrophobicContact CE2-CB 4.1Å; F696-A809 HydrophobicContact CZ-CB 3.84Å; F696-A810 HydrophobicContact CE2-CB 3.97Å
697P89.6Confident93.2Very high61 Ų6142.8 Ų42.840%0.39621%0.205SC..THydrogen-bonded Turntrans-57.9-32.3-172.2-28.535.9000115.1Q693 T770Q693-P697 VanDerWaalsContact O-CA 3.28Å; Q693-P697 WeakPolarHBondContact O-CA 3.49Å; P697-T770 WeakPolarHBondContact O-CB 3.29Å; P697-T770 PolarHBondContact O-OG1 2.79Å
698Y88.8Confident92.7Very high171 Ų17140.7 Ų40.767%0.67120%0.198SC*.THydrogen-bonded Turntrans-113.52.9-174.5-53.2-68.1000114.6F696 T770 G771 N826F696-Y698 VanDerWaalsContact C-N 3.26Å; F696-Y698 PolarHBondContact O-N 3.44Å; F696-Y698 VanDerWaalsContact O-N 3.1Å; Y698-T770 VanDerWaalsContact C-OG1 3.25Å; Y698-T770 WeakPolarHBondContact CA-OG1 3.5Å; Y698-G771 VanDerWaalsContact O-CA 3.28Å; Y698-G771 WeakPolarHBondContact O-CA 3.38Å; Y698-G771 PolarHBondContact O-N 3.21Å; Y698-G771 VanDerWaalsContact O-N 3.12Å; Y698-N826 PolarHBondContact O-OD1 2.9Å
699Q88.9Confident92.1Very high54 Ų5447 Ų4725%0.25222%0.222SC..THydrogen-bonded Turntrans-135.98.8-170.5-68.8167.8-1400113F696 T770F696-Q699 HydrophobicContact CB-CB 4.36Å; F696-Q699 PolarHBondContact O-N 2.92Å; Q699-T770 PolarHBondContact N-OG1 3.4Å
700A92.4Very high91.5Very high0 Ų051.7 Ų51.70%024%0.244CC..  trans-79.9140.2176.900000111.1I692 Q693 F696 T770I692-A700 HydrophobicContact CD1-CB 4.27Å; I692-A700 HydrophobicContact CG1-CB 4.06Å; Q693-A700 HydrophobicContact CB-CB 4.44Å; F696-A700 WeakPolarHBondContact O-CB 3.48Å; F696-A700 PolarHBondContact O-N 2.77Å; A700-T770 HydrophobicContact CB-CG2 3.87Å; A700-T770 PolarHBondContact N-OG1 3.44Å; A700-T770 PolarHBondContact O-N 2.83Å
701L95.6Very high90.8Very high0 Ų052 Ų520%025%0.249CC..EExtended strand (participates in β ladder)trans-87.8111.2171.3-174.867.5000109.3T789 A799 V802 L806 M829 A833 I836L701-T789 PolarHBondContact O-OG1 3.43Å; L701-A799 HydrophobicContact CD2-CB 4.04Å; L701-V802 HydrophobicContact CB-CG1 4.31Å; L701-V802 HydrophobicContact CD2-CB 4.01Å; L701-V802 HydrophobicContact CD2-CG1 3.94Å; L701-L806 HydrophobicContact CB-CD1 4.23Å; L701-M829 HydrophobicContact CB-SD 4.03Å; L701-M829 HydrophobicContact CD1-CG 4.49Å; L701-M829 HydrophobicContact CD1-SD 4.23Å; L701-A833 HydrophobicContact CD1-CB 3.94Å; L701-I836 HydrophobicContact CD2-CD1 4.32Å
702L96.6Very high90.1Very high2 Ų255.2 Ų55.21%0.0127%0.267CS..EExtended strand (participates in β ladder)trans-117.7167.3177.6-64.1-171.4000111A689 I692 Q693 Y767 F768 T770 F778A689-L702 HydrophobicContact CB-CD2 3.8Å; I692-L702 HydrophobicContact CD1-CD2 4.05Å; I692-L702 HydrophobicContact CG1-CD2 4.31Å; Q693-L702 HydrophobicContact CB-CD1 4.47Å; L702-Y767 CarbonylContact O-C 3.59Å; L702-Y767 VanDerWaalsContact O-CA 3.28Å; L702-Y767 WeakPolarHBondContact O-CA 3.37Å; L702-F768 HydrophobicContact CB-CD1 4.21Å; L702-F768 HydrophobicContact CB-CE1 3.48Å; L702-F768 VanDerWaalsContact CB-CE1 3.48Å; L702-F768 HydrophobicContact CB-CE2 4.35Å; L702-F768 HydrophobicContact CB-CZ 3.57Å; L702-F768 HydrophobicContact CD1-CZ 4.13Å; L702-F768 HydrophobicContact CG-CZ 4.43Å; L702-F768 PolarHBondContact N-O 2.9Å; L702-F768 WeakPolarHBondContact O-CD1 3.39Å; L702-F768 PolarHBondContact O-N 2.83Å; L702-T770 HydrophobicContact CD1-CG2 3.46Å; L702-T770 VanDerWaalsContact CD1-CG2 3.46Å; L702-T770 HydrophobicContact CG-CG2 3.71Å; L702-F778 HydrophobicContact CD1-CD2 4.11Å
703R96.4Very high89.8Confident47 Ų4755.2 Ų55.218%0.17727%0.267CS..EExtended strand (participates in β ladder)trans-124.6118.5175.6-170.7178.1-169-149.1-0.7109.7L766 Y767 Y788 H790R703-L766 WeakPolarHBondContact CA-O 3.26Å; R703-Y767 HydrophobicContact CB-CD1 3.94Å; R703-Y767 HydrophobicContact CB-CE1 4.14Å; R703-Y767 HydrophobicContact CG-CD1 4.18Å; R703-Y767 HydrophobicContact CG-CE1 4.27Å; R703-Y788 HydrophobicContact CB-CD1 4.18Å; R703-Y788 PolarHBondContact N-O 3.26Å; R703-H790 PolarHBondContact NH1-CE1 3.07Å; R703-H790 PolarHBondContact NH1-NE2 3.18Å
704R93.9Very high89.4Confident37 Ų3756.9 Ų56.914%0.1428%0.282CS..EExtended strand (participates in β ladder)trans-108.7159178.265.4177.5-173.9150.2-8.9111.6A765 L766 F768 Q777R704-A765 CarbonylContact O-C 3.59Å; R704-A765 VanDerWaalsContact O-CA 3.25Å; R704-A765 WeakPolarHBondContact O-CA 3.44Å; R704-L766 PolarHBondContact N-O 3.2Å; R704-L766 PolarHBondContact O-N 3.44Å; R704-F768 HydrophobicContact CB-CD1 3.91Å; R704-F768 HydrophobicContact CB-CE1 3.52Å; R704-F768 HydrophobicContact CB-CZ 4.33Å; R704-F768 HydrophobicContact CG-CD1 3.59Å; R704-F768 HydrophobicContact CG-CE1 3.74Å; R704-F768 HydrophobicContact CG-CG 4.38Å; R704-Q777 WeakPolarHBondContact CD-O 3.45Å
705H93.3Very high88.9Confident19 Ų1954.9 Ų54.99%0.08827%0.273CS..BIsolated β-bridgetrans-127.799.6169.7-177.3-178.2000107.3S763 A765 H780 Y781 G782H705-S763 PolarHBondContact CD2-OG 3.35Å; H705-S763 VanDerWaalsContact CD2-OG 3.26Å; H705-S763 PolarHBondContact NE2-O 3.43Å; H705-A765 HydrophobicContact CB-CB 4.1Å; H705-H780 AromaticContact ND1-CE1 3.84Å; H705-Y781 WeakPolarHBondContact O-CB 3.35Å; H705-Y781 PolarHBondContact O-N 3.37Å; H705-G782 PolarHBondContact ND1-N 2.62Å
706P90.9Very high88.8Confident32 Ų3253.5 Ų53.521%0.20826%0.261CS..PPolyproline II helixtrans-67.4154.8-175.923.5-27.1000111.3S763P706-S763 WeakPolarHBondContact CD-OG 3.3Å; P706-S763 WeakPolarHBondContact CG-OG 3.49Å; P706-S763 PolarHBondContact O-OG 3.24Å
707P88.6Confident88.7Confident95 Ų9553.6 Ų53.662%0.61726%0.264SS*.PPolyproline II helixtrans-60.7135.7177.224.7-33.2000110.6Y781P707-Y781 HydrophobicContact CB-CD2 4.04Å; P707-Y781 HydrophobicContact CB-CE2 4.3Å
708P87.8Confident88.5Confident10 Ų1054.9 Ų54.97%0.06527%0.268CS..PPolyproline II helixtrans-63.3152.5177.424.3-34.2000112.7F713 A761 M762 Y781P708-F713 HydrophobicContact CB-CE2 3.51Å; P708-F713 HydrophobicContact CB-CZ 3.77Å; P708-F713 HydrophobicContact CG-CE2 3.35Å; P708-F713 HydrophobicContact CG-CZ 3.48Å; P708-F713 VanDerWaalsContact CG-CZ 3.48Å; P708-A761 WeakPolarHBondContact CB-O 3.49Å; P708-M762 HydrophobicContact CB-SD 4.35Å; P708-M762 HydrophobicContact CG-CE 4.42Å; P708-M762 HydrophobicContact CG-SD 3.85Å; P708-Y781 HydrophobicContact CG-CD1 4.35Å; P708-Y781 HydrophobicContact CG-CE1 3.8Å
709R84.6Confident88.3Confident133 Ų13347.2 Ų47.250%0.50224%0.238SC..PPolyproline II helixtrans-75.8131.3175.2-64.3-175.8-176.5176.44.2109.5E711 L712R709-E711 PolarHBondContact O-N 2.77Å; R709-E711 VanDerWaalsContact O-N 3.15Å; R709-L712 HydrophobicContact CB-CD1 4.28Å; R709-L712 HydrophobicContact CB-CG 4.28Å; R709-L712 WeakPolarHBondContact O-CB 3.45Å; R709-L712 PolarHBondContact O-N 3.43Å
710Q83.6Confident88.2Confident98 Ų9844.6 Ų44.646%0.45823%0.226SC..G310 helixtrans-59-31.2-176.5-66.2-61.5-2200113.5L712 F713 T729Q710-L712 PolarHBondContact O-N 2.94Å; Q710-F713 PolarHBondContact O-N 3.31Å; Q710-F713 VanDerWaalsContact O-N 3.12Å; Q710-T729 PolarHBondContact NE2-O 3.13Å; Q710-T729 PolarHBondContact OE1-O 3.11Å; Q710-T729 PolarHBondContact OE1-OG1 2.9Å
711E80.1Confident88.1Confident97 Ų9752 Ų5245%0.45325%0.254SS..G310 helixtrans-58.4-30.4176.6-63.8174.8-174.300113.3S273 R709 F713 S714S273-E711 VanDerWaalsContact CB-OE1 3.22Å; S273-E711 WeakPolarHBondContact CB-OE1 3.26Å; S273-E711 PolarHBondContact OG-OE1 3.13Å; R709-E711 PolarHBondContact O-N 2.77Å; R709-E711 VanDerWaalsContact O-N 3.15Å; E711-F713 VanDerWaalsContact C-N 3.31Å; E711-F713 PolarHBondContact O-N 2.78Å; E711-S714 PolarHBondContact O-N 3.3Å; E711-S714 PolarHBondContact O-OG 3.47Å
712L82.4Confident87.4Confident93 Ų9354.3 Ų54.349%0.48727%0.274SS..G310 helixtrans-74.1-21.7-179-61.1176.8000112.6R709 Q710 A761R709-L712 HydrophobicContact CB-CD1 4.28Å; R709-L712 HydrophobicContact CB-CG 4.28Å; R709-L712 WeakPolarHBondContact O-CB 3.45Å; R709-L712 PolarHBondContact O-N 3.43Å; Q710-L712 PolarHBondContact O-N 2.94Å; L712-A761 HydrophobicContact CB-CB 4.03Å; L712-A761 WeakPolarHBondContact O-CB 3.23Å
713F86.2Confident86.7Confident1 Ų155.8 Ų55.80%0.00429%0.286CS..G310 helixtrans-88-7.5177.2-68.7-71.2000114.2P708 Q710 E711 Q715 L716 V717 T729 L735 A761 M762P708-F713 HydrophobicContact CB-CE2 3.51Å; P708-F713 HydrophobicContact CB-CZ 3.77Å; P708-F713 HydrophobicContact CG-CE2 3.35Å; P708-F713 HydrophobicContact CG-CZ 3.48Å; P708-F713 VanDerWaalsContact CG-CZ 3.48Å; Q710-F713 PolarHBondContact O-N 3.31Å; Q710-F713 VanDerWaalsContact O-N 3.12Å; E711-F713 VanDerWaalsContact C-N 3.31Å; E711-F713 PolarHBondContact O-N 2.78Å; F713-Q715 PolarHBondContact O-N 3.49Å; F713-L716 HydrophobicContact CD1-CD2 3.72Å; F713-L716 HydrophobicContact CE1-CD2 4.27Å; F713-L716 WeakPolarHBondContact O-CB 3.43Å; F713-L716 PolarHBondContact O-N 2.71Å; F713-V717 HydrophobicContact CB-CG2 4.42Å; F713-V717 WeakPolarHBondContact O-CG2 3.28Å; F713-V717 PolarHBondContact O-N 3.37Å; F713-T729 HydrophobicContact CB-CG2 3.67Å; F713-T729 HydrophobicContact CD1-CG2 4.05Å; F713-T729 HydrophobicContact CD2-CG2 4.05Å; F713-T729 HydrophobicContact CG-CG2 3.67Å; F713-L735 HydrophobicContact CE1-CD2 4.12Å; F713-L735 HydrophobicContact CZ-CD2 4.13Å; F713-A761 HydrophobicContact CD1-CB 3.46Å; F713-A761 VanDerWaalsContact CD1-CB 3.46Å; F713-A761 HydrophobicContact CE1-CB 3.51Å; F713-A761 HydrophobicContact CG-CB 4.07Å; F713-A761 HydrophobicContact CZ-CB 4.13Å; F713-M762 HydrophobicContact CE1-CE 3.68Å; F713-M762 HydrophobicContact CZ-CE 3.44Å; F713-M762 VanDerWaalsContact CZ-CE 3.44Å; F713-M762 HydrophobicContact CZ-SD 4.25Å
714S84.1Confident86.2Confident67 Ų6756.8 Ų56.847%0.46931%0.311SS..Hα-helixtrans-52.5-46-177.356.20000111.6E711 L716 V717 D718E711-S714 PolarHBondContact O-N 3.3Å; E711-S714 PolarHBondContact O-OG 3.47Å; S714-L716 PolarHBondContact O-N 3.24Å; S714-V717 PolarHBondContact O-N 3.47Å; S714-D718 WeakPolarHBondContact O-CB 3.3Å; S714-D718 VanDerWaalsContact O-CG 3.28Å; S714-D718 PolarHBondContact O-N 3.11Å
715Q82.6Confident86Confident77 Ų7757 Ų5736%0.3631%0.313SS..Hα-helixtrans-61.7-43.8176.1-167.3-176.2-8.900112.7F713 T719 M757 S878F713-Q715 PolarHBondContact O-N 3.49Å; Q715-T719 VanDerWaalsContact O-CB 3.23Å; Q715-T719 WeakPolarHBondContact O-CB 3.25Å; Q715-T719 PolarHBondContact O-N 3.28Å; Q715-T719 PolarHBondContact O-OG1 3.06Å; Q715-M757 HydrophobicContact CB-CE 4.49Å; Q715-M757 HydrophobicContact CG-CE 3.84Å; Q715-S878 PolarHBondContact NE2-OG 3.43Å
716L87.7Confident85.9Confident2 Ų261.2 Ų61.21%0.0134%0.344CS..Hα-helixtrans-60.9-48.2177173.369.6000111.3F713 S714 T719 A720 I727 L754 M757 A758F713-L716 HydrophobicContact CD1-CD2 3.72Å; F713-L716 HydrophobicContact CE1-CD2 4.27Å; F713-L716 WeakPolarHBondContact O-CB 3.43Å; F713-L716 PolarHBondContact O-N 2.71Å; S714-L716 PolarHBondContact O-N 3.24Å; L716-T719 PolarHBondContact O-N 2.8Å; L716-A720 VanDerWaalsContact O-CB 3.24Å; L716-A720 WeakPolarHBondContact O-CB 3.4Å; L716-A720 PolarHBondContact O-N 2.91Å; L716-I727 HydrophobicContact CD2-CG2 4.06Å; L716-L754 HydrophobicContact CD1-CB 4.22Å; L716-L754 HydrophobicContact CD1-CD2 3.88Å; L716-L754 VanDerWaalsContact CD1-O 3.3Å; L716-L754 WeakPolarHBondContact CD1-O 3.47Å; L716-M757 HydrophobicContact CD1-CB 3.74Å; L716-A758 HydrophobicContact CD2-CB 3.79Å
717V89.4Confident86Confident29 Ų2960.2 Ų60.218%0.17634%0.337CS..Hα-helixtrans-65.2-42.6-176.7172.70000110.9F713 S714 R721 T729F713-V717 HydrophobicContact CB-CG2 4.42Å; F713-V717 WeakPolarHBondContact O-CG2 3.28Å; F713-V717 PolarHBondContact O-N 3.37Å; S714-V717 PolarHBondContact O-N 3.47Å; V717-R721 VanDerWaalsContact O-CB 3.3Å; V717-R721 WeakPolarHBondContact O-CB 3.41Å; V717-R721 PolarHBondContact O-N 2.88Å; V717-T729 HydrophobicContact CG2-CG2 3.81Å
718D84.6Confident86.1Confident88 Ų8857.7 Ų57.747%0.47132%0.318SS..Hα-helixtrans-69.2-41.7179.3-69.1-23.4000111.6S714 R721 A722S714-D718 WeakPolarHBondContact O-CB 3.3Å; S714-D718 VanDerWaalsContact O-CG 3.28Å; S714-D718 PolarHBondContact O-N 3.11Å; D718-R721 PolarHBondContact O-N 3.21Å; D718-R721 IonicContact OD1-CZ 3.94Å; D718-R721 IonicContact OD1-NH1 3Å; D718-R721 PolarHBondContact OD1-NH1 3.05Å; D718-A722 PolarHBondContact O-N 2.75Å
719T84.9Confident86.2Confident10 Ų1058.1 Ų58.16%0.06132%0.321CS..Hα-helixtrans-65-42.6175-67.30000111.9Q715 L716 A722 A723 M757 L942 F943Q715-T719 VanDerWaalsContact O-CB 3.23Å; Q715-T719 WeakPolarHBondContact O-CB 3.25Å; Q715-T719 PolarHBondContact O-N 3.28Å; Q715-T719 PolarHBondContact O-OG1 3.06Å; L716-T719 PolarHBondContact O-N 2.8Å; T719-A722 PolarHBondContact O-N 2.75Å; T719-A723 PolarHBondContact O-N 3.46Å; T719-M757 HydrophobicContact CG2-CE 4.11Å; T719-M757 HydrophobicContact CG2-SD 3.97Å; T719-L942 HydrophobicContact CG2-CD1 4.38Å; T719-F943 HydrophobicContact CG2-CE1 4.48Å; T719-F943 HydrophobicContact CG2-CE2 3.8Å; T719-F943 HydrophobicContact CG2-CZ 3.48Å; T719-F943 VanDerWaalsContact CG2-CZ 3.48Å
720A87.8Confident86.4Confident0 Ų061.1 Ų61.10%033%0.332CS..Hα-helixtrans-63.8-41.7175.600000111.8L716 A722 A723 G724 F725 I727 L754L716-A720 VanDerWaalsContact O-CB 3.24Å; L716-A720 WeakPolarHBondContact O-CB 3.4Å; L716-A720 PolarHBondContact O-N 2.91Å; A720-A722 VanDerWaalsContact C-N 3.31Å; A720-A722 PolarHBondContact O-N 3.11Å; A720-A723 CarbonylContact O-C 3.51Å; A720-A723 PolarHBondContact O-N 2.93Å; A720-A723 VanDerWaalsContact O-N 3.13Å; A720-G724 PolarHBondContact O-N 3.4Å; A720-F725 CarbonylContact C-O 3.25Å; A720-F725 VanDerWaalsContact C-O 3.25Å; A720-F725 HydrophobicContact CB-CB 4.28Å; A720-F725 WeakPolarHBondContact O-CA 3.47Å; A720-F725 PolarHBondContact O-N 2.87Å; A720-I727 HydrophobicContact CB-CB 4.42Å; A720-I727 HydrophobicContact CB-CG1 3.47Å; A720-I727 VanDerWaalsContact CB-CG1 3.47Å; A720-L754 HydrophobicContact CB-CD1 4.48Å; A720-L754 HydrophobicContact CB-CD2 3.96Å
721R88.4Confident86.7Confident155 Ų15559.6 Ų59.659%0.58533%0.33SS*.Hα-helixtrans-62.2-38.7176.6-170.7-173.4-62120.53111.8V717 D718 A723 G724 F725V717-R721 VanDerWaalsContact O-CB 3.3Å; V717-R721 WeakPolarHBondContact O-CB 3.41Å; V717-R721 PolarHBondContact O-N 2.88Å; D718-R721 PolarHBondContact O-N 3.21Å; D718-R721 IonicContact OD1-CZ 3.94Å; D718-R721 IonicContact OD1-NH1 3Å; D718-R721 PolarHBondContact OD1-NH1 3.05Å; R721-A723 VanDerWaalsContact C-N 3.28Å; R721-A723 PolarHBondContact O-N 3.4Å; R721-G724 PolarHBondContact O-N 3.23Å; R721-F725 WeakPolarHBondContact CA-O 3.36Å; R721-F725 PolarHBondContact N-O 2.79Å
722A81.5Confident87.2Confident49 Ų4955.8 Ų55.841%0.40531%0.313SS..Hα-helixtrans-63.2-34175.500000112.4D718 T719 A720 G724 D927 L942D718-A722 PolarHBondContact O-N 2.75Å; T719-A722 PolarHBondContact O-N 2.75Å; A720-A722 VanDerWaalsContact C-N 3.31Å; A720-A722 PolarHBondContact O-N 3.11Å; A722-G724 VanDerWaalsContact C-N 3.25Å; A722-G724 PolarHBondContact O-N 2.76Å; A722-D927 HydrophobicContact CB-CB 3.97Å; A722-L942 HydrophobicContact CB-CD1 3.85Å
723A81.8Confident87.6Confident32 Ų3255.6 Ų55.626%0.26431%0.308SS..THydrogen-bonded Turntrans-80.22.5170.900000114.5T719 A720 R721 F725 F943T719-A723 PolarHBondContact O-N 3.46Å; A720-A723 CarbonylContact O-C 3.51Å; A720-A723 PolarHBondContact O-N 2.93Å; A720-A723 VanDerWaalsContact O-N 3.13Å; R721-A723 VanDerWaalsContact C-N 3.28Å; R721-A723 PolarHBondContact O-N 3.4Å; A723-F725 HydrophobicContact CB-CD2 3.69Å; A723-F725 HydrophobicContact CB-CE2 3.98Å; A723-F943 HydrophobicContact CB-CD2 3.74Å; A723-F943 HydrophobicContact CB-CE2 3.43Å; A723-F943 VanDerWaalsContact CB-CE2 3.43Å; A723-F943 HydrophobicContact CB-CZ 4.27Å
724G85.9Confident87.9Confident68 Ų6856.4 Ų56.470%0.70132%0.315SS*.THydrogen-bonded Turntrans838.3-178.800000115A720 R721 A722A720-G724 PolarHBondContact O-N 3.4Å; R721-G724 PolarHBondContact O-N 3.23Å; A722-G724 VanDerWaalsContact C-N 3.25Å; A722-G724 PolarHBondContact O-N 2.76Å
725F89.9Confident88.3Confident41 Ų4153.2 Ų53.218%0.1829%0.293CS..  trans-96.9151.6176.6-59.4-68.1000112.4A720 R721 A723 A742 D744 V750 L754A720-F725 CarbonylContact C-O 3.25Å; A720-F725 VanDerWaalsContact C-O 3.25Å; A720-F725 HydrophobicContact CB-CB 4.28Å; A720-F725 WeakPolarHBondContact O-CA 3.47Å; A720-F725 PolarHBondContact O-N 2.87Å; R721-F725 WeakPolarHBondContact CA-O 3.36Å; R721-F725 PolarHBondContact N-O 2.79Å; A723-F725 HydrophobicContact CB-CD2 3.69Å; A723-F725 HydrophobicContact CB-CE2 3.98Å; F725-A742 HydrophobicContact CB-CB 4.06Å; F725-A742 HydrophobicContact CD1-CB 3.87Å; F725-A742 HydrophobicContact CD2-CB 4.43Å; F725-A742 HydrophobicContact CE1-CB 4.44Å; F725-A742 HydrophobicContact CG-CB 3.86Å; F725-D744 HydrophobicContact CE2-CB 4.49Å; F725-D744 HydrophobicContact CZ-CB 4.08Å; F725-V750 HydrophobicContact CE2-CG1 3.98Å; F725-L754 HydrophobicContact CD2-CD1 4.22Å
726S91.9Very high88.7Confident108 Ų10849.9 Ų49.976%0.75528%0.278SS*.  trans-115.6114.6174.8-1720000110.2
727I92.4Very high88.9Confident12 Ų1252.7 Ų52.76%0.06229%0.293CS..  trans-103.8129.2179.3-60.3-60.1000109.8L716 A720 T729 L735 L739 A742L716-I727 HydrophobicContact CD2-CG2 4.06Å; A720-I727 HydrophobicContact CB-CB 4.42Å; A720-I727 HydrophobicContact CB-CG1 3.47Å; A720-I727 VanDerWaalsContact CB-CG1 3.47Å; I727-T729 HydrophobicContact CG2-CG2 4.2Å; I727-L735 HydrophobicContact CG2-CD1 3.56Å; I727-L739 HydrophobicContact CD1-CD2 3.89Å; I727-L739 HydrophobicContact CD1-CG 4.34Å; I727-A742 HydrophobicContact CD1-CB 4.03Å
728D90.7Very high89.1Confident41 Ų4151.4 Ų51.422%0.21929%0.285CS..  trans-106.5114.4-180-174.8-8.9000110.5R730 A734 L735 S738D728-R730 VanDerWaalsContact OD1-CB 3.31Å; D728-R730 WeakPolarHBondContact OD1-CB 3.06Å; D728-R730 WeakPolarHBondContact OD1-CG 3.29Å; D728-R730 IonicContact OD1-CZ 3.76Å; D728-R730 PolarHBondContact OD1-N 2.97Å; D728-R730 IonicContact OD1-NE 3.23Å; D728-R730 PolarHBondContact OD1-NE 2.74Å; D728-R730 IonicContact OD2-CZ 3.83Å; D728-R730 VanDerWaalsContact OD2-CZ 3.23Å; D728-R730 IonicContact OD2-NE 2.65Å; D728-R730 PolarHBondContact OD2-NE 2.79Å; D728-R730 IonicContact OD2-NH2 2.66Å; D728-R730 PolarHBondContact OD2-NH2 2.87Å; D728-A734 HydrophobicContact CB-CB 4.06Å; D728-A734 CarbonylContact O-C 3.51Å; D728-L735 WeakPolarHBondContact O-CA 3.44Å; D728-L735 WeakPolarHBondContact O-CB 3.1Å; D728-L735 PolarHBondContact O-N 3.33Å; D728-L735 VanDerWaalsContact O-N 3.08Å; D728-S738 PolarHBondContact N-OG 2.95Å
729T90.1Very high89.4Confident20 Ų2047.2 Ų47.212%0.12326%0.263CS..  trans-100.39.4-173.261.40000113.4Q710 F713 V717 I727 L735Q710-T729 PolarHBondContact NE2-O 3.13Å; Q710-T729 PolarHBondContact OE1-O 3.11Å; Q710-T729 PolarHBondContact OE1-OG1 2.9Å; F713-T729 HydrophobicContact CB-CG2 3.67Å; F713-T729 HydrophobicContact CD1-CG2 4.05Å; F713-T729 HydrophobicContact CD2-CG2 4.05Å; F713-T729 HydrophobicContact CG-CG2 3.67Å; V717-T729 HydrophobicContact CG2-CG2 3.81Å; I727-T729 HydrophobicContact CG2-CG2 4.2Å; T729-L735 HydrophobicContact CG2-CD1 4.37Å
730R88.8Confident89.6Confident195 Ų19550.8 Ų50.874%0.73628%0.281SS*.SBendtrans-68.2-37.5-174.1-69.3178.4-64168.51.6113.7D728D728-R730 VanDerWaalsContact OD1-CB 3.31Å; D728-R730 WeakPolarHBondContact OD1-CB 3.06Å; D728-R730 WeakPolarHBondContact OD1-CG 3.29Å; D728-R730 IonicContact OD1-CZ 3.76Å; D728-R730 PolarHBondContact OD1-N 2.97Å; D728-R730 IonicContact OD1-NE 3.23Å; D728-R730 PolarHBondContact OD1-NE 2.74Å; D728-R730 IonicContact OD2-CZ 3.83Å; D728-R730 VanDerWaalsContact OD2-CZ 3.23Å; D728-R730 IonicContact OD2-NE 2.65Å; D728-R730 PolarHBondContact OD2-NE 2.79Å; D728-R730 IonicContact OD2-NH2 2.66Å; D728-R730 PolarHBondContact OD2-NH2 2.87Å
731T89.9Confident89.7Confident66 Ų6658.8 Ų58.841%0.40531%0.312SS..SBendtrans-141160.3-179.664.60000110K733 A734 L735T731-K733 VanDerWaalsContact C-N 3.29Å; T731-K733 PolarHBondContact O-N 2.87Å; T731-A734 PolarHBondContact O-N 3.04Å; T731-A734 VanDerWaalsContact OG1-CB 3.26Å; T731-A734 WeakPolarHBondContact OG1-CB 3.4Å; T731-A734 PolarHBondContact OG1-N 2.95Å; T731-A734 VanDerWaalsContact OG1-N 3.08Å; T731-L735 WeakPolarHBondContact O-CB 3.45Å; T731-L735 PolarHBondContact O-N 3.43Å
732N89.9Confident89.7Confident17 Ų1751.5 Ų51.59%0.09129%0.285CS..Hα-helixtrans-56.2-43.4174.561.4-29.4000111.8G642 G643 L645 L735 A736 Y779 Y781G642-N732 PolarHBondContact O-ND2 2.89Å; G643-N732 WeakPolarHBondContact O-CB 3.48Å; G643-N732 PolarHBondContact O-ND2 3.29Å; L645-N732 HydrophobicContact CD1-CB 4.28Å; N732-L735 PolarHBondContact O-N 3.45Å; N732-A736 WeakPolarHBondContact O-CB 3.22Å; N732-A736 PolarHBondContact O-N 2.91Å; N732-Y779 PolarHBondContact ND2-OH 2.88Å; N732-Y781 WeakPolarHBondContact CA-OH 3.32Å; N732-Y781 HydrophobicContact CB-CD1 4.4Å; N732-Y781 HydrophobicContact CB-CD2 4.1Å; N732-Y781 HydrophobicContact CB-CE1 4.05Å; N732-Y781 HydrophobicContact CB-CE2 3.74Å; N732-Y781 HydrophobicContact CB-CG 4.41Å; N732-Y781 PolarHBondContact N-OH 3.09Å
733K91.8Very high90Very high90 Ų9052.9 Ų52.939%0.39129%0.288SS..Hα-helixtrans-64.8-49.2177.6-176.2168.2-176.7161.20113R641 T731 L735 A736 D737R641-K733 PolarHBondContact O-NZ 3.41Å; T731-K733 VanDerWaalsContact C-N 3.29Å; T731-K733 PolarHBondContact O-N 2.87Å; K733-L735 PolarHBondContact O-N 2.83Å; K733-A736 PolarHBondContact O-N 3.49Å; K733-D737 WeakPolarHBondContact O-CB 3.43Å; K733-D737 VanDerWaalsContact O-CG 3.25Å; K733-D737 PolarHBondContact O-N 3.07Å
734A92.5Very high90.2Very high18 Ų1853.7 Ų53.715%0.14929%0.288CS..Hα-helixtrans-60.4-36.9178.700000111.5D728 T731 S738D728-A734 HydrophobicContact CB-CB 4.06Å; D728-A734 CarbonylContact O-C 3.51Å; T731-A734 PolarHBondContact O-N 3.04Å; T731-A734 VanDerWaalsContact OG1-CB 3.26Å; T731-A734 WeakPolarHBondContact OG1-CB 3.4Å; T731-A734 PolarHBondContact OG1-N 2.95Å; T731-A734 VanDerWaalsContact OG1-N 3.08Å; A734-S738 VanDerWaalsContact O-CB 3.22Å; A734-S738 WeakPolarHBondContact O-CB 3.5Å; A734-S738 PolarHBondContact O-N 3.09Å; A734-S738 PolarHBondContact O-OG 3.5Å; A734-S738 VanDerWaalsContact O-OG 3.1Å
735L92.3Very high90Very high0 Ų056 Ų560%029%0.291CS..Hα-helixtrans-65.3-50.4175.5-17962.5000111.3L645 F713 I727 D728 T729 T731 N732 K733 S738 L739 M762L645-L735 HydrophobicContact CD1-CD2 4.12Å; L645-L735 HydrophobicContact CD2-CB 4.18Å; L645-L735 HydrophobicContact CD2-CD2 3.98Å; L645-L735 HydrophobicContact CD2-CG 3.93Å; F713-L735 HydrophobicContact CE1-CD2 4.12Å; F713-L735 HydrophobicContact CZ-CD2 4.13Å; I727-L735 HydrophobicContact CG2-CD1 3.56Å; D728-L735 WeakPolarHBondContact O-CA 3.44Å; D728-L735 WeakPolarHBondContact O-CB 3.1Å; D728-L735 PolarHBondContact O-N 3.33Å; D728-L735 VanDerWaalsContact O-N 3.08Å; T729-L735 HydrophobicContact CG2-CD1 4.37Å; T731-L735 WeakPolarHBondContact O-CB 3.45Å; T731-L735 PolarHBondContact O-N 3.43Å; N732-L735 PolarHBondContact O-N 3.45Å; K733-L735 PolarHBondContact O-N 2.83Å; L735-S738 PolarHBondContact O-N 2.87Å; L735-S738 PolarHBondContact O-OG 3.48Å; L735-L739 HydrophobicContact CD1-CD1 3.98Å; L735-L739 HydrophobicContact CD1-CG 4.19Å; L735-L739 HydrophobicContact CG-CD1 3.92Å; L735-L739 WeakPolarHBondContact O-CG 3.36Å; L735-L739 PolarHBondContact O-N 3.37Å; L735-M762 HydrophobicContact CD2-CE 3.36Å
736A90.6Very high89.6Confident6 Ų662.6 Ų62.65%0.0532%0.322CS..Hα-helixtrans-55-55.8176.700000111.1L645 N732 K733 S738 L739 D740L645-A736 HydrophobicContact CD2-CB 3.77Å; N732-A736 WeakPolarHBondContact O-CB 3.22Å; N732-A736 PolarHBondContact O-N 2.91Å; K733-A736 PolarHBondContact O-N 3.49Å; A736-S738 PolarHBondContact O-N 3.24Å; A736-L739 PolarHBondContact O-N 2.89Å; A736-L739 VanDerWaalsContact O-N 3.07Å; A736-D740 VanDerWaalsContact O-CG 3.24Å; A736-D740 PolarHBondContact O-N 3.07Å
737D91.6Very high89.1Confident61 Ų6158.6 Ų58.633%0.32629%0.292SS..Hα-helixtrans-58.7-35.7-179.2-65.7-19.6000111.9K733 R741K733-D737 WeakPolarHBondContact O-CB 3.43Å; K733-D737 VanDerWaalsContact O-CG 3.25Å; K733-D737 PolarHBondContact O-N 3.07Å; D737-R741 WeakPolarHBondContact O-CG 3.35Å; D737-R741 PolarHBondContact O-N 3.28Å; D737-R741 PolarHBondContact O-NH1 2.74Å
738S93.4Very high88.5Confident2 Ų262.5 Ų62.51%0.01432%0.318CS..Hα-helixtrans-74.4-36.1178.171.80000113.4D728 A734 L735 A736 R741 A742D728-S738 PolarHBondContact N-OG 2.95Å; A734-S738 VanDerWaalsContact O-CB 3.22Å; A734-S738 WeakPolarHBondContact O-CB 3.5Å; A734-S738 PolarHBondContact O-N 3.09Å; A734-S738 PolarHBondContact O-OG 3.5Å; A734-S738 VanDerWaalsContact O-OG 3.1Å; L735-S738 PolarHBondContact O-N 2.87Å; L735-S738 PolarHBondContact O-OG 3.48Å; A736-S738 PolarHBondContact O-N 3.24Å; S738-R741 PolarHBondContact O-N 3.36Å; S738-A742 WeakPolarHBondContact O-CB 3.47Å; S738-A742 PolarHBondContact O-N 3.09Å
739L91Very high88.2Confident0 Ų062.4 Ų62.40%032%0.318CS..Hα-helixtrans-70.1-38.2174.6-73.2168.7000111.3L647 I727 L735 A736 R741 A742 N751 L754 A758L647-L739 HydrophobicContact CD2-CD1 4.09Å; I727-L739 HydrophobicContact CD1-CD2 3.89Å; I727-L739 HydrophobicContact CD1-CG 4.34Å; L735-L739 HydrophobicContact CD1-CD1 3.98Å; L735-L739 HydrophobicContact CD1-CG 4.19Å; L735-L739 HydrophobicContact CG-CD1 3.92Å; L735-L739 WeakPolarHBondContact O-CG 3.36Å; L735-L739 PolarHBondContact O-N 3.37Å; A736-L739 PolarHBondContact O-N 2.89Å; A736-L739 VanDerWaalsContact O-N 3.07Å; L739-R741 VanDerWaalsContact C-N 3.26Å; L739-R741 PolarHBondContact O-N 3.11Å; L739-A742 PolarHBondContact O-N 3.01Å; L739-A742 VanDerWaalsContact O-N 3.13Å; L739-N751 PolarHBondContact O-ND2 2.91Å; L739-L754 HydrophobicContact CD2-CB 4.2Å; L739-A758 HydrophobicContact CD1-CB 4.1Å
740D89.8Confident87.9Confident85 Ų8561.6 Ų61.646%0.45531%0.313SS..Hα-helixtrans-66.4-29.6177.6-64.8-18.4000112.2A736 R755A736-D740 VanDerWaalsContact O-CG 3.24Å; A736-D740 PolarHBondContact O-N 3.07Å; D740-R755 IonicContact OD1-CZ 3.99Å; D740-R755 IonicContact OD1-NH1 2.97Å; D740-R755 PolarHBondContact OD1-NH1 3.27Å; D740-R755 IonicContact OD1-NH2 3.1Å; D740-R755 PolarHBondContact OD1-NH2 3.24Å
741R90.3Very high87.9Confident169 Ų16953.3 Ų53.364%0.63828%0.283SS*.Hα-helixtrans-80.6-18.2173.2-71.4-171.4-57.5-89-0.6114D737 S738 L739 V743D737-R741 WeakPolarHBondContact O-CG 3.35Å; D737-R741 PolarHBondContact O-N 3.28Å; D737-R741 PolarHBondContact O-NH1 2.74Å; S738-R741 PolarHBondContact O-N 3.36Å; L739-R741 VanDerWaalsContact C-N 3.26Å; L739-R741 PolarHBondContact O-N 3.11Å; R741-V743 PolarHBondContact O-N 3.17Å
742A88.9Confident87.6Confident2 Ų254.9 Ų54.92%0.01728%0.281CS..  trans-84.657.9-175.200000111.9F725 I727 S738 L739 N751 L754F725-A742 HydrophobicContact CB-CB 4.06Å; F725-A742 HydrophobicContact CD1-CB 3.87Å; F725-A742 HydrophobicContact CD2-CB 4.43Å; F725-A742 HydrophobicContact CE1-CB 4.44Å; F725-A742 HydrophobicContact CG-CB 3.86Å; I727-A742 HydrophobicContact CD1-CB 4.03Å; S738-A742 WeakPolarHBondContact O-CB 3.47Å; S738-A742 PolarHBondContact O-N 3.09Å; L739-A742 PolarHBondContact O-N 3.01Å; L739-A742 VanDerWaalsContact O-N 3.13Å; A742-N751 WeakPolarHBondContact O-CB 3.29Å; A742-N751 PolarHBondContact O-ND2 2.76Å; A742-L754 HydrophobicContact CB-CD1 3.93Å
743V87.3Confident87.4Confident77 Ų7754.3 Ų54.347%0.46728%0.278SS..  trans-108.1119.4179.6-179.50000108.7R741R741-V743 PolarHBondContact O-N 3.17Å
744D85.1Confident87.2Confident49 Ų4950 Ų5026%0.26226%0.259SS..  trans-83.2121.4169.3-165.4-37.4000108.8F725 E746 D747 V750F725-D744 HydrophobicContact CE2-CB 4.49Å; F725-D744 HydrophobicContact CZ-CB 4.08Å; D744-E746 PolarHBondContact O-N 3.39Å; D744-E746 PolarHBondContact OD1-N 2.95Å; D744-D747 CarbonylContact O-C 3.49Å; D744-V750 HydrophobicContact CB-CB 4.2Å; D744-V750 HydrophobicContact CB-CG2 4.21Å
745P82Confident87.1Confident118 Ų11850.7 Ų50.777%0.76626%0.258SS*.SBendtrans-63.4-27177.1-22.134000114.3
746E81.5Confident86.7Confident179 Ų17951.4 Ų51.484%0.83626%0.262SS*.SBendtrans-86.4-31.5-177.6-62.3-64.7135.200111.9D744D744-E746 PolarHBondContact O-N 3.39Å; D744-E746 PolarHBondContact OD1-N 2.95Å
747D81.7Confident86.5Confident23 Ų2351.7 Ų51.712%0.12326%0.262CS..  trans-137.3100.9176-179.420.7000113.6D744 L749 V750 H945D744-D747 CarbonylContact O-C 3.49Å; D747-L749 PolarHBondContact O-N 2.83Å; D747-L749 VanDerWaalsContact O-N 3.1Å; D747-L749 WeakPolarHBondContact OD1-CB 3.28Å; D747-L749 PolarHBondContact OD1-N 3.49Å; D747-V750 HydrophobicContact CB-CG2 4.06Å; D747-V750 PolarHBondContact O-N 3.42Å; D747-V750 WeakPolarHBondContact OD2-CG2 3.25Å; D747-H945 IonicContact OD1-NE2 2.68Å; D747-H945 IonicContact OD2-CE1 2.73Å; D747-H945 IonicContact OD2-NE2 2.92Å; D747-H945 PolarHBondContact OD2-NE2 3.23Å; D747-H945 VanDerWaalsContact OD2-NE2 3.15Å
748P80.1Confident86.4Confident95 Ų9548.8 Ų48.862%0.61725%0.247SC*.THydrogen-bonded Turntrans-60.5-18.3174.6-23.934.4000114.8V750P748-V750 VanDerWaalsContact C-N 3.32Å
749L83.1Confident86.1Confident39 Ų3951.6 Ų51.620%0.20426%0.263CS..Hα-helixtrans-74-23.6-178.4-62.6168.1000112.3D747 N751 R752 L753 I875 P889D747-L749 PolarHBondContact O-N 2.83Å; D747-L749 VanDerWaalsContact O-N 3.1Å; D747-L749 WeakPolarHBondContact OD1-CB 3.28Å; D747-L749 PolarHBondContact OD1-N 3.49Å; L749-N751 VanDerWaalsContact C-N 3.34Å; L749-N751 PolarHBondContact O-N 2.73Å; L749-R752 WeakPolarHBondContact O-CB 3.15Å; L749-R752 PolarHBondContact O-N 2.99Å; L749-R752 VanDerWaalsContact O-N 3.16Å; L749-L753 WeakPolarHBondContact O-CG 3.5Å; L749-L753 PolarHBondContact O-N 2.72Å; L749-I875 HydrophobicContact CB-CD1 3.42Å; L749-I875 VanDerWaalsContact CB-CD1 3.42Å; L749-I875 HydrophobicContact CD1-CD1 3.46Å; L749-I875 VanDerWaalsContact CD1-CD1 3.46Å; L749-I875 HydrophobicContact CG-CD1 4.05Å; L749-P889 HydrophobicContact CD1-CG 3.95Å; L749-P889 HydrophobicContact CD2-CB 4.42Å; L749-P889 HydrophobicContact CD2-CG 4.35Å
750V85.4Confident85.8Confident3 Ų357.1 Ų57.12%0.01829%0.29CS..Hα-helixtrans-54.9-49.1173.2177.80000111F725 D744 D747 P748 R752 L753 L754 F943F725-V750 HydrophobicContact CE2-CG1 3.98Å; D744-V750 HydrophobicContact CB-CB 4.2Å; D744-V750 HydrophobicContact CB-CG2 4.21Å; D747-V750 HydrophobicContact CB-CG2 4.06Å; D747-V750 PolarHBondContact O-N 3.42Å; D747-V750 WeakPolarHBondContact OD2-CG2 3.25Å; P748-V750 VanDerWaalsContact C-N 3.32Å; V750-R752 VanDerWaalsContact C-N 3.3Å; V750-R752 PolarHBondContact O-N 3.41Å; V750-L753 PolarHBondContact O-N 3.34Å; V750-L754 HydrophobicContact CG1-CD1 4.29Å; V750-L754 WeakPolarHBondContact O-CG 3.37Å; V750-L754 PolarHBondContact O-N 3.22Å; V750-F943 HydrophobicContact CB-CD1 4.3Å; V750-F943 HydrophobicContact CB-CE1 4.5Å; V750-F943 HydrophobicContact CG1-CD1 3.97Å; V750-F943 HydrophobicContact CG1-CE1 3.85Å; V750-F943 HydrophobicContact CG1-CG 4.38Å; V750-F943 HydrophobicContact CG1-CZ 4.17Å; V750-F943 HydrophobicContact CG2-CB 4.18Å; V750-F943 HydrophobicContact CG2-CD1 3.9Å; V750-F943 HydrophobicContact CG2-CG 4.15Å
751N87.1Confident85.6Confident20 Ų2053.3 Ų53.311%0.10727%0.269CS..Hα-helixtrans-60.7-42.5179.2-173.9-102000111.5L739 A742 L749 L753 L754 R755L739-N751 PolarHBondContact O-ND2 2.91Å; A742-N751 WeakPolarHBondContact O-CB 3.29Å; A742-N751 PolarHBondContact O-ND2 2.76Å; L749-N751 VanDerWaalsContact C-N 3.34Å; L749-N751 PolarHBondContact O-N 2.73Å; N751-L753 VanDerWaalsContact C-N 3.34Å; N751-L753 PolarHBondContact O-N 2.96Å; N751-L754 PolarHBondContact O-N 2.89Å; N751-R755 WeakPolarHBondContact O-CG 3.49Å; N751-R755 PolarHBondContact O-N 3.47Å; N751-R755 PolarHBondContact OD1-NE 3.12Å
752R84.2Confident85.5Confident100 Ų10046.3 Ų46.338%0.37724%0.244SC..Hα-helixtrans-63.6-39.7178.6-174.1177-83.6176.9-6.1111.7V650 L749 V750 R755 M756V650-R752 HydrophobicContact CG2-CG 4.49Å; L749-R752 WeakPolarHBondContact O-CB 3.15Å; L749-R752 PolarHBondContact O-N 2.99Å; L749-R752 VanDerWaalsContact O-N 3.16Å; V750-R752 VanDerWaalsContact C-N 3.3Å; V750-R752 PolarHBondContact O-N 3.41Å; R752-R755 PolarHBondContact O-N 2.83Å; R752-M756 VanDerWaalsContact O-CB 3.28Å; R752-M756 WeakPolarHBondContact O-CB 3.34Å; R752-M756 PolarHBondContact O-N 3.09Å
753L85.5Confident85.4Confident4 Ų447.7 Ų47.72%0.02125%0.254CS..Hα-helixtrans-64.5-44.1174.3-72.6172.9000111.9L749 V750 N751 M756 M757 I875 F887 F943L749-L753 WeakPolarHBondContact O-CG 3.5Å; L749-L753 PolarHBondContact O-N 2.72Å; V750-L753 PolarHBondContact O-N 3.34Å; N751-L753 VanDerWaalsContact C-N 3.34Å; N751-L753 PolarHBondContact O-N 2.96Å; L753-M756 HydrophobicContact CD2-CE 4.48Å; L753-M756 WeakPolarHBondContact O-CB 3.2Å; L753-M756 PolarHBondContact O-N 2.94Å; L753-M757 WeakPolarHBondContact O-CG 3.41Å; L753-M757 PolarHBondContact O-N 3.38Å; L753-I875 HydrophobicContact CD1-CB 3.98Å; L753-I875 HydrophobicContact CD1-CD1 4.34Å; L753-I875 HydrophobicContact CD1-CG2 3.47Å; L753-I875 VanDerWaalsContact CD1-CG2 3.47Å; L753-F887 HydrophobicContact CD2-CB 3.78Å; L753-F887 HydrophobicContact CD2-CD1 3.59Å; L753-F887 HydrophobicContact CD2-CE1 4.49Å; L753-F887 HydrophobicContact CD2-CG 3.89Å; L753-F943 HydrophobicContact CB-CE1 4.31Å; L753-F943 HydrophobicContact CD1-CD1 4.03Å; L753-F943 HydrophobicContact CD1-CE1 4.15Å
754L88.6Confident85.4Confident0 Ų049.9 Ų49.90%026%0.259CS..Hα-helixtrans-61.7-44.1176.3-67.6177.6000111.6L716 A720 F725 L739 A742 V750 N751 M756 M757 A758 F943L716-L754 HydrophobicContact CD1-CB 4.22Å; L716-L754 HydrophobicContact CD1-CD2 3.88Å; L716-L754 VanDerWaalsContact CD1-O 3.3Å; L716-L754 WeakPolarHBondContact CD1-O 3.47Å; A720-L754 HydrophobicContact CB-CD1 4.48Å; A720-L754 HydrophobicContact CB-CD2 3.96Å; F725-L754 HydrophobicContact CD2-CD1 4.22Å; L739-L754 HydrophobicContact CD2-CB 4.2Å; A742-L754 HydrophobicContact CB-CD1 3.93Å; V750-L754 HydrophobicContact CG1-CD1 4.29Å; V750-L754 WeakPolarHBondContact O-CG 3.37Å; V750-L754 PolarHBondContact O-N 3.22Å; N751-L754 PolarHBondContact O-N 2.89Å; L754-M756 VanDerWaalsContact C-N 3.32Å; L754-M756 PolarHBondContact O-N 3.32Å; L754-M757 PolarHBondContact O-N 3.07Å; L754-A758 WeakPolarHBondContact O-CB 3.41Å; L754-A758 PolarHBondContact O-N 3.47Å; L754-F943 HydrophobicContact CD2-CZ 4.12Å
755R88.9Confident85.7Confident33 Ų3348.6 Ų48.613%0.12526%0.256CS..Hα-helixtrans-59.9-43.3173.7-72.3-177.8-170.6-85.1-5.9111.6E646 L647 D740 N751 R752 M757 A758 T759E646-R755 PolarHBondContact O-NH1 3.44Å; L647-R755 HydrophobicContact CD2-CB 4.36Å; D740-R755 IonicContact OD1-CZ 3.99Å; D740-R755 IonicContact OD1-NH1 2.97Å; D740-R755 PolarHBondContact OD1-NH1 3.27Å; D740-R755 IonicContact OD1-NH2 3.1Å; D740-R755 PolarHBondContact OD1-NH2 3.24Å; N751-R755 WeakPolarHBondContact O-CG 3.49Å; N751-R755 PolarHBondContact O-N 3.47Å; N751-R755 PolarHBondContact OD1-NE 3.12Å; R752-R755 PolarHBondContact O-N 2.83Å; R755-M757 PolarHBondContact O-N 2.81Å; R755-A758 CarbonylContact O-C 3.51Å; R755-A758 WeakPolarHBondContact O-CA 3.46Å; R755-A758 WeakPolarHBondContact O-CB 3.32Å; R755-A758 PolarHBondContact O-N 3.15Å; R755-A758 VanDerWaalsContact O-N 3.14Å; R755-T759 PolarHBondContact O-N 2.66Å; R755-T759 PolarHBondContact O-OG1 3.27Å
756M84.4Confident86.3Confident15 Ų1545.4 Ų45.47%0.07423%0.232CC..Hα-helixtrans-65-38.9178.9-166.1-171.1-56.500112.8V650 R752 L753 L754 T759 Q760 F887 K894V650-M756 HydrophobicContact CG2-CE 4.45Å; R752-M756 VanDerWaalsContact O-CB 3.28Å; R752-M756 WeakPolarHBondContact O-CB 3.34Å; R752-M756 PolarHBondContact O-N 3.09Å; L753-M756 HydrophobicContact CD2-CE 4.48Å; L753-M756 WeakPolarHBondContact O-CB 3.2Å; L753-M756 PolarHBondContact O-N 2.94Å; L754-M756 VanDerWaalsContact C-N 3.32Å; L754-M756 PolarHBondContact O-N 3.32Å; M756-T759 WeakPolarHBondContact O-CB 3.4Å; M756-T759 PolarHBondContact O-N 3.24Å; M756-Q760 WeakPolarHBondContact O-CG 3.44Å; M756-Q760 PolarHBondContact O-N 3.49Å; M756-Q760 VanDerWaalsContact O-N 3.15Å; M756-F887 HydrophobicContact CE-CD1 4.26Å; M756-F887 HydrophobicContact CE-CD2 4.43Å; M756-F887 HydrophobicContact CE-CE1 3.82Å; M756-F887 HydrophobicContact CE-CE2 4.01Å; M756-F887 HydrophobicContact CE-CZ 3.7Å; M756-F887 HydrophobicContact SD-CD2 4.5Å; M756-F887 HydrophobicContact SD-CE2 4.42Å; M756-K894 WeakPolarHBondContact SD-CE 3.28Å; M756-K894 PolarHBondContact SD-NZ 2.7Å
757M85.9Confident87Confident12 Ų1237.2 Ų37.26%0.05919%0.193CC..Hα-helixtrans-65.8-39.2171.8-72.4178.57400111.3Q715 L716 T719 L753 L754 R755 Q760 A761Q715-M757 HydrophobicContact CB-CE 4.49Å; Q715-M757 HydrophobicContact CG-CE 3.84Å; L716-M757 HydrophobicContact CD1-CB 3.74Å; T719-M757 HydrophobicContact CG2-CE 4.11Å; T719-M757 HydrophobicContact CG2-SD 3.97Å; L753-M757 WeakPolarHBondContact O-CG 3.41Å; L753-M757 PolarHBondContact O-N 3.38Å; L754-M757 PolarHBondContact O-N 3.07Å; R755-M757 PolarHBondContact O-N 2.81Å; M757-Q760 PolarHBondContact O-N 3.45Å; M757-A761 PolarHBondContact O-N 3.43Å; M757-A761 VanDerWaalsContact O-N 3.1Å
758A89.6Confident87.6Confident0 Ų036.8 Ų36.80%019%0.19CC..Hα-helixtrans-61.2-43172.900000111.4L647 L716 L739 L754 R755 Q760 A761 M762L647-A758 HydrophobicContact CD2-CB 3.91Å; L716-A758 HydrophobicContact CD2-CB 3.79Å; L739-A758 HydrophobicContact CD1-CB 4.1Å; L754-A758 WeakPolarHBondContact O-CB 3.41Å; L754-A758 PolarHBondContact O-N 3.47Å; R755-A758 CarbonylContact O-C 3.51Å; R755-A758 WeakPolarHBondContact O-CA 3.46Å; R755-A758 WeakPolarHBondContact O-CB 3.32Å; R755-A758 PolarHBondContact O-N 3.15Å; R755-A758 VanDerWaalsContact O-N 3.14Å; A758-Q760 VanDerWaalsContact C-N 3.29Å; A758-Q760 PolarHBondContact O-N 3.42Å; A758-A761 PolarHBondContact O-N 2.89Å; A758-A761 VanDerWaalsContact O-N 3.11Å; A758-M762 WeakPolarHBondContact O-CG 3.27Å; A758-M762 PolarHBondContact O-N 3.2Å; A758-M762 VanDerWaalsContact O-N 3.09Å
759T88Confident88.3Confident60 Ų6032.3 Ų32.337%0.36816%0.161SC..Hα-helixtrans-57.3-40.6173.8-430000112.2L647 R755 M756 A761 M762L647-T759 WeakPolarHBondContact CB-OG1 3.36Å; R755-T759 PolarHBondContact O-N 2.66Å; R755-T759 PolarHBondContact O-OG1 3.27Å; M756-T759 WeakPolarHBondContact O-CB 3.4Å; M756-T759 PolarHBondContact O-N 3.24Å; T759-A761 VanDerWaalsContact C-N 3.31Å; T759-A761 PolarHBondContact O-N 3.05Å; T759-M762 WeakPolarHBondContact O-CB 3.38Å; T759-M762 PolarHBondContact O-N 3.08Å
760Q84.1Confident88.7Confident117 Ų11730.7 Ų30.755%0.54715%0.153SC..Hα-helixtrans-69.3-29178.5-71.3-179.6-21.900113.1M756 M757 A758M756-Q760 WeakPolarHBondContact O-CG 3.44Å; M756-Q760 PolarHBondContact O-N 3.49Å; M756-Q760 VanDerWaalsContact O-N 3.15Å; M757-Q760 PolarHBondContact O-N 3.45Å; A758-Q760 VanDerWaalsContact C-N 3.29Å; A758-Q760 PolarHBondContact O-N 3.42Å
761A86.4Confident88.8Confident4 Ų431.9 Ų31.93%0.03317%0.166CC..Hα-helixtrans-81.7-15.6176.100000113.3P708 L712 F713 M757 A758 T759P708-A761 WeakPolarHBondContact CB-O 3.49Å; L712-A761 HydrophobicContact CB-CB 4.03Å; L712-A761 WeakPolarHBondContact O-CB 3.23Å; F713-A761 HydrophobicContact CD1-CB 3.46Å; F713-A761 VanDerWaalsContact CD1-CB 3.46Å; F713-A761 HydrophobicContact CE1-CB 3.51Å; F713-A761 HydrophobicContact CG-CB 4.07Å; F713-A761 HydrophobicContact CZ-CB 4.13Å; M757-A761 PolarHBondContact O-N 3.43Å; M757-A761 VanDerWaalsContact O-N 3.1Å; A758-A761 PolarHBondContact O-N 2.89Å; A758-A761 VanDerWaalsContact O-N 3.11Å; T759-A761 VanDerWaalsContact C-N 3.31Å; T759-A761 PolarHBondContact O-N 3.05Å
762M87.6Confident88.8Confident22 Ų2232.4 Ų32.411%0.10817%0.173CC..SBendtrans-63.6150.2176.6-69.8-59.214300112.1L645 L647 P708 F713 L735 A758 T759 Y781L645-M762 HydrophobicContact CD1-CE 4.01Å; L645-M762 HydrophobicContact CD1-SD 4.36Å; L647-M762 HydrophobicContact CD1-CE 4.1Å; L647-M762 HydrophobicContact CD1-CG 3.81Å; L647-M762 HydrophobicContact CD1-SD 4.47Å; P708-M762 HydrophobicContact CB-SD 4.35Å; P708-M762 HydrophobicContact CG-CE 4.42Å; P708-M762 HydrophobicContact CG-SD 3.85Å; F713-M762 HydrophobicContact CE1-CE 3.68Å; F713-M762 HydrophobicContact CZ-CE 3.44Å; F713-M762 VanDerWaalsContact CZ-CE 3.44Å; F713-M762 HydrophobicContact CZ-SD 4.25Å; L735-M762 HydrophobicContact CD2-CE 3.36Å; A758-M762 WeakPolarHBondContact O-CG 3.27Å; A758-M762 PolarHBondContact O-N 3.2Å; A758-M762 VanDerWaalsContact O-N 3.09Å; T759-M762 WeakPolarHBondContact O-CB 3.38Å; T759-M762 PolarHBondContact O-N 3.08Å; M762-Y781 HydrophobicContact CE-CE1 4.14Å; M762-Y781 HydrophobicContact SD-CD1 3.97Å; M762-Y781 HydrophobicContact SD-CE1 3.73Å
763S86.8Confident89Confident32 Ų3230.2 Ų30.222%0.22417%0.167CC..PPolyproline II helixtrans-74.3164169.481.80000110.2H705 P706H705-S763 PolarHBondContact CD2-OG 3.35Å; H705-S763 VanDerWaalsContact CD2-OG 3.26Å; H705-S763 PolarHBondContact NE2-O 3.43Å; P706-S763 WeakPolarHBondContact CD-OG 3.3Å; P706-S763 WeakPolarHBondContact CG-OG 3.49Å; P706-S763 PolarHBondContact O-OG 3.24Å
764Q87.3Confident89.2Confident122 Ų12233.1 Ų33.157%0.5719%0.186SC*.PPolyproline II helixtrans-80.5136.9175.3-67.3-177-11.900110.2R841Q764-R841 VanDerWaalsContact OE1-CD 3.25Å
765A91Very high89.2Confident23 Ų2338.4 Ų38.419%0.1921%0.211CC..PPolyproline II helixtrans-73.8136.3169.200000110.7R704 H705R704-A765 CarbonylContact O-C 3.59Å; R704-A765 VanDerWaalsContact O-CA 3.25Å; R704-A765 WeakPolarHBondContact O-CA 3.44Å; H705-A765 HydrophobicContact CB-CB 4.1Å
766L94.4Very high89.2Confident50 Ų5042.8 Ų42.826%0.26224%0.237SC..EExtended strand (participates in β ladder)trans-131.7138.9-169.9-61.4169.3000110.9R703 R704 N837R703-L766 WeakPolarHBondContact CA-O 3.26Å; R704-L766 PolarHBondContact N-O 3.2Å; R704-L766 PolarHBondContact O-N 3.44Å; L766-N837 WeakPolarHBondContact CA-OD1 3.17Å; L766-N837 HydrophobicContact CD2-CB 4.37Å
767Y96.2Very high89.4Confident8 Ų845.7 Ų45.73%0.03125%0.25CS..EExtended strand (participates in β ladder)trans-70.9146.3163.2-62-78000110.2L702 R703 H790 A799 I836 N837L702-Y767 CarbonylContact O-C 3.59Å; L702-Y767 VanDerWaalsContact O-CA 3.28Å; L702-Y767 WeakPolarHBondContact O-CA 3.37Å; R703-Y767 HydrophobicContact CB-CD1 3.94Å; R703-Y767 HydrophobicContact CB-CE1 4.14Å; R703-Y767 HydrophobicContact CG-CD1 4.18Å; R703-Y767 HydrophobicContact CG-CE1 4.27Å; Y767-H790 HydrophobicContact CE1-CB 4.41Å; Y767-H790 AromaticContact CE1-ND1 3.88Å; Y767-H790 AromaticContact CZ-ND1 3.63Å; Y767-H790 PolarHBondContact OH-ND1 2.89Å; Y767-A799 HydrophobicContact CD1-CB 4.15Å; Y767-A799 HydrophobicContact CE1-CB 3.55Å; Y767-A799 HydrophobicContact CE2-CB 4.44Å; Y767-I836 HydrophobicContact CD2-CB 4.25Å; Y767-I836 HydrophobicContact CD2-CG2 3.47Å; Y767-I836 VanDerWaalsContact CD2-CG2 3.47Å; Y767-I836 HydrophobicContact CE2-CG2 3.44Å; Y767-I836 VanDerWaalsContact CE2-CG2 3.44Å; Y767-I836 HydrophobicContact CG-CG2 4.3Å; Y767-N837 WeakPolarHBondContact CD2-OD1 3.4Å; Y767-N837 PolarHBondContact N-ND2 3.33Å; Y767-N837 PolarHBondContact N-OD1 3.05Å; Y767-N837 PolarHBondContact O-ND2 2.83Å
768F94.9Very high89.8Confident13 Ų1345.5 Ų45.56%0.05725%0.249CC..EExtended strand (participates in β ladder)trans-154.4156.1177.771.9-74.2000110.8L702 R704 Q773 F778L702-F768 HydrophobicContact CB-CD1 4.21Å; L702-F768 HydrophobicContact CB-CE1 3.48Å; L702-F768 VanDerWaalsContact CB-CE1 3.48Å; L702-F768 HydrophobicContact CB-CE2 4.35Å; L702-F768 HydrophobicContact CB-CZ 3.57Å; L702-F768 HydrophobicContact CD1-CZ 4.13Å; L702-F768 HydrophobicContact CG-CZ 4.43Å; L702-F768 PolarHBondContact N-O 2.9Å; L702-F768 WeakPolarHBondContact O-CD1 3.39Å; L702-F768 PolarHBondContact O-N 2.83Å; R704-F768 HydrophobicContact CB-CD1 3.91Å; R704-F768 HydrophobicContact CB-CE1 3.52Å; R704-F768 HydrophobicContact CB-CZ 4.33Å; R704-F768 HydrophobicContact CG-CD1 3.59Å; R704-F768 HydrophobicContact CG-CE1 3.74Å; R704-F768 HydrophobicContact CG-CG 4.38Å; F768-Q773 HydrophobicContact CB-CG 4.4Å; F768-Q773 HydrophobicContact CD2-CB 3.86Å; F768-Q773 HydrophobicContact CD2-CG 3.74Å; F768-Q773 HydrophobicContact CE2-CB 4.12Å; F768-Q773 HydrophobicContact CE2-CG 4.45Å; F768-Q773 HydrophobicContact CG-CG 4.33Å; F768-F778 HydrophobicContact CD2-CE1 4.46Å; F768-F778 AromaticContact CE2-CD1 3.33Å; F768-F778 HydrophobicContact CE2-CD1 3.33Å; F768-F778 AromaticContact CE2-CE1 3.42Å; F768-F778 HydrophobicContact CE2-CE1 3.42Å; F768-F778 VanDerWaalsContact CE2-CE1 3.42Å; F768-F778 HydrophobicContact CE2-CG 4.12Å; F768-F778 HydrophobicContact CE2-CZ 4.23Å; F768-F778 HydrophobicContact CZ-CB 4.17Å; F768-F778 AromaticContact CZ-CD1 3.46Å; F768-F778 HydrophobicContact CZ-CD1 3.46Å; F768-F778 VanDerWaalsContact CZ-CD1 3.46Å; F768-F778 HydrophobicContact CZ-CE1 4.02Å; F768-F778 AromaticContact CZ-CG 3.85Å; F768-F778 HydrophobicContact CZ-CG 3.85Å
769S94.3Very high89.9Confident1 Ų149.7 Ų49.71%0.00727%0.265CS..EExtended strand (participates in β ladder)trans-82.7135.2168.1179.60000109.8G771 A772 N826S769-G771 PolarHBondContact O-N 3.34Å; S769-G771 PolarHBondContact OG-N 3.41Å; S769-A772 WeakPolarHBondContact O-CB 3.36Å; S769-A772 PolarHBondContact O-N 3.25Å; S769-N826 PolarHBondContact OG-OD1 3.16Å
770T91.9Very high90.3Very high5 Ų547.3 Ų47.33%0.03125%0.25CC..THydrogen-bonded Turntrans-60.8-24.1176.654.80000113.5Q693 P697 Y698 Q699 A700 L702 A772 F778Q693-T770 HydrophobicContact CG-CG2 4.31Å; P697-T770 WeakPolarHBondContact O-CB 3.29Å; P697-T770 PolarHBondContact O-OG1 2.79Å; Y698-T770 VanDerWaalsContact C-OG1 3.25Å; Y698-T770 WeakPolarHBondContact CA-OG1 3.5Å; Q699-T770 PolarHBondContact N-OG1 3.4Å; A700-T770 HydrophobicContact CB-CG2 3.87Å; A700-T770 PolarHBondContact N-OG1 3.44Å; A700-T770 PolarHBondContact O-N 2.83Å; L702-T770 HydrophobicContact CD1-CG2 3.46Å; L702-T770 VanDerWaalsContact CD1-CG2 3.46Å; L702-T770 HydrophobicContact CG-CG2 3.71Å; T770-A772 VanDerWaalsContact C-N 3.32Å; T770-F778 HydrophobicContact CG2-CE2 3.84Å; T770-F778 HydrophobicContact CG2-CZ 3.89Å
771G87.9Confident90.6Very high28 Ų2842.5 Ų42.529%0.28923%0.227SC..THydrogen-bonded Turntrans-78.7-10.2174.100000114.8Y698 S769 N826Y698-G771 VanDerWaalsContact O-CA 3.28Å; Y698-G771 WeakPolarHBondContact O-CA 3.38Å; Y698-G771 PolarHBondContact O-N 3.21Å; Y698-G771 VanDerWaalsContact O-N 3.12Å; S769-G771 PolarHBondContact O-N 3.34Å; S769-G771 PolarHBondContact OG-N 3.41Å; G771-N826 WeakPolarHBondContact CA-OD1 3.31Å; G771-N826 PolarHBondContact O-ND2 3.42Å
772A87.9Confident90.8Very high31 Ų3142.8 Ų42.826%0.25623%0.23SC..THydrogen-bonded Turntrans-96.7-15.8-178.800000113.4S769 T770 E830S769-A772 WeakPolarHBondContact O-CB 3.36Å; S769-A772 PolarHBondContact O-N 3.25Å; T770-A772 VanDerWaalsContact C-N 3.32Å; A772-E830 HydrophobicContact CB-CG 4.24Å
773Q88.3Confident91Very high54 Ų5443 Ų4325%0.25223%0.231SC..SBendtrans-131.5149.8-177-62.2-64.6-60.400110.4F768 F778F768-Q773 HydrophobicContact CB-CG 4.4Å; F768-Q773 HydrophobicContact CD2-CB 3.86Å; F768-Q773 HydrophobicContact CD2-CG 3.74Å; F768-Q773 HydrophobicContact CE2-CB 4.12Å; F768-Q773 HydrophobicContact CE2-CG 4.45Å; F768-Q773 HydrophobicContact CG-CG 4.33Å; Q773-F778 HydrophobicContact CB-CE1 4.16Å; Q773-F778 WeakPolarHBondContact O-CE1 3.47Å
774P89.7Confident91.4Very high65 Ų6542.3 Ų42.342%0.42223%0.228SC..  trans-74.3156.7172.733-35.6000111.5D776 Q777 F778P774-D776 VanDerWaalsContact C-N 3.29Å; P774-D776 WeakPolarHBondContact CB-OD1 3.34Å; P774-D776 WeakPolarHBondContact CG-OD1 3.44Å; P774-D776 PolarHBondContact O-N 3.43Å; P774-Q777 HydrophobicContact CG-CB 4.46Å; P774-Q777 HydrophobicContact CG-CG 4.01Å; P774-Q777 VanDerWaalsContact CG-NE2 3.31Å; P774-Q777 WeakPolarHBondContact O-CB 3.43Å; P774-Q777 PolarHBondContact O-N 2.77Å; P774-F778 VanDerWaalsContact O-CD1 3.27Å; P774-F778 WeakPolarHBondContact O-CD1 3.18Å; P774-F778 WeakPolarHBondContact O-CE1 2.89Å
775E88.7Confident91.7Very high112 Ų11237.7 Ų37.752%0.52321%0.207SC..G310 helixtrans-65.7-27.1-169.4-172.3171.5-168.800114.3Q777 F778 R787E775-Q777 PolarHBondContact O-N 3.03Å; E775-F778 HydrophobicContact CB-CE2 4.28Å; E775-F778 HydrophobicContact CB-CZ 4.43Å; E775-F778 HydrophobicContact CG-CD2 4.07Å; E775-F778 HydrophobicContact CG-CE2 4.1Å; E775-F778 WeakPolarHBondContact O-CB 3.41Å; E775-F778 PolarHBondContact O-N 2.76Å; E775-R787 VanDerWaalsContact CD-NH2 3.29Å; E775-R787 IonicContact OE1-CZ 3.93Å; E775-R787 IonicContact OE1-NH2 3.19Å; E775-R787 PolarHBondContact OE1-NH2 3.35Å
776D88.3Confident91.7Very high125 Ų12539.7 Ų39.767%0.66822%0.215SC*.G310 helixtrans-63.1-22173.263.6-41.1000112.7P774P774-D776 VanDerWaalsContact C-N 3.29Å; P774-D776 WeakPolarHBondContact CB-OD1 3.34Å; P774-D776 WeakPolarHBondContact CG-OD1 3.44Å; P774-D776 PolarHBondContact O-N 3.43Å
777Q89Confident91.7Very high76 Ų7638.6 Ų38.636%0.35521%0.207SC..G310 helixtrans-953.8-179.4-66.4-171.445.800114.2R704 P774 E775 Y779R704-Q777 WeakPolarHBondContact CD-O 3.45Å; P774-Q777 HydrophobicContact CG-CB 4.46Å; P774-Q777 HydrophobicContact CG-CG 4.01Å; P774-Q777 VanDerWaalsContact CG-NE2 3.31Å; P774-Q777 WeakPolarHBondContact O-CB 3.43Å; P774-Q777 PolarHBondContact O-N 2.77Å; E775-Q777 PolarHBondContact O-N 3.03Å; Q777-Y779 PolarHBondContact O-N 3.12Å
778F92.9Very high91.8Very high7 Ų739 Ų393%0.03121%0.209CC..  trans-77.7-14.4-179.6-665.1000112.5L702 F768 T770 Q773 P774 E775 D786L702-F778 HydrophobicContact CD1-CD2 4.11Å; F768-F778 HydrophobicContact CD2-CE1 4.46Å; F768-F778 AromaticContact CE2-CD1 3.33Å; F768-F778 HydrophobicContact CE2-CD1 3.33Å; F768-F778 AromaticContact CE2-CE1 3.42Å; F768-F778 HydrophobicContact CE2-CE1 3.42Å; F768-F778 VanDerWaalsContact CE2-CE1 3.42Å; F768-F778 HydrophobicContact CE2-CG 4.12Å; F768-F778 HydrophobicContact CE2-CZ 4.23Å; F768-F778 HydrophobicContact CZ-CB 4.17Å; F768-F778 AromaticContact CZ-CD1 3.46Å; F768-F778 HydrophobicContact CZ-CD1 3.46Å; F768-F778 VanDerWaalsContact CZ-CD1 3.46Å; F768-F778 HydrophobicContact CZ-CE1 4.02Å; F768-F778 AromaticContact CZ-CG 3.85Å; F768-F778 HydrophobicContact CZ-CG 3.85Å; T770-F778 HydrophobicContact CG2-CE2 3.84Å; T770-F778 HydrophobicContact CG2-CZ 3.89Å; Q773-F778 HydrophobicContact CB-CE1 4.16Å; Q773-F778 WeakPolarHBondContact O-CE1 3.47Å; P774-F778 VanDerWaalsContact O-CD1 3.27Å; P774-F778 WeakPolarHBondContact O-CD1 3.18Å; P774-F778 WeakPolarHBondContact O-CE1 2.89Å; E775-F778 HydrophobicContact CB-CE2 4.28Å; E775-F778 HydrophobicContact CB-CZ 4.43Å; E775-F778 HydrophobicContact CG-CD2 4.07Å; E775-F778 HydrophobicContact CG-CE2 4.1Å; E775-F778 WeakPolarHBondContact O-CB 3.41Å; E775-F778 PolarHBondContact O-N 2.76Å; F778-D786 CarbonylContact C-O 3.59Å
779Y93.4Very high91.9Very high88 Ų8838.4 Ų38.435%0.34521%0.206SC..  trans-58.7140.6-177.9-172.2-105.5000112.9N732 Q777 A784 L785N732-Y779 PolarHBondContact ND2-OH 2.88Å; Q777-Y779 PolarHBondContact O-N 3.12Å; Y779-A784 WeakPolarHBondContact OH-CA 3.26Å; Y779-L785 VanDerWaalsContact CD2-O 3.27Å; Y779-L785 WeakPolarHBondContact CD2-O 3.21Å
780H94.6Very high92.1Very high10 Ų1038.9 Ų38.95%0.04621%0.208CC..BIsolated β-bridgetrans-10594.2177.4-166-70.1000110.9H705 G782 L783 A784 L785 Y788H705-H780 AromaticContact ND1-CE1 3.84Å; H780-G782 PolarHBondContact O-N 2.98Å; H780-L783 WeakPolarHBondContact ND1-CB 3.1Å; H780-L783 WeakPolarHBondContact ND1-CG 3.31Å; H780-L783 PolarHBondContact ND1-N 3.42Å; H780-L783 PolarHBondContact O-N 2.93Å; H780-L783 VanDerWaalsContact O-N 3.16Å; H780-A784 PolarHBondContact O-N 2.95Å; H780-L785 PolarHBondContact N-O 2.91Å; H780-Y788 AromaticContact CD2-CD1 3.68Å
781Y92.1Very high92.3Very high17 Ų1738.7 Ų38.77%0.06721%0.207CC..THydrogen-bonded Turntrans-48.9-49.9-173.5-175-94.2000114.3L645 H705 P707 P708 N732 M762 L783L645-Y781 HydrophobicContact CD1-CD1 3.97Å; L645-Y781 HydrophobicContact CD1-CE1 3.53Å; H705-Y781 WeakPolarHBondContact O-CB 3.35Å; H705-Y781 PolarHBondContact O-N 3.37Å; P707-Y781 HydrophobicContact CB-CD2 4.04Å; P707-Y781 HydrophobicContact CB-CE2 4.3Å; P708-Y781 HydrophobicContact CG-CD1 4.35Å; P708-Y781 HydrophobicContact CG-CE1 3.8Å; N732-Y781 WeakPolarHBondContact CA-OH 3.32Å; N732-Y781 HydrophobicContact CB-CD1 4.4Å; N732-Y781 HydrophobicContact CB-CD2 4.1Å; N732-Y781 HydrophobicContact CB-CE1 4.05Å; N732-Y781 HydrophobicContact CB-CE2 3.74Å; N732-Y781 HydrophobicContact CB-CG 4.41Å; N732-Y781 PolarHBondContact N-OH 3.09Å; M762-Y781 HydrophobicContact CE-CE1 4.14Å; M762-Y781 HydrophobicContact SD-CD1 3.97Å; M762-Y781 HydrophobicContact SD-CE1 3.73Å; Y781-L783 PolarHBondContact O-N 2.97Å
782G90.4Very high92.7Very high9 Ų937.7 Ų37.79%0.09320%0.195CC..THydrogen-bonded Turntrans-72.9-26.2-175.900000115.5L645 H705 H780L645-G782 PolarHBondContact N-O 3.17Å; H705-G782 PolarHBondContact ND1-N 2.62Å; H780-G782 PolarHBondContact O-N 2.98Å
783L91.9Very high93.1Very high26 Ų2636.3 Ų36.314%0.13618%0.183CC..THydrogen-bonded Turntrans-99.7-8.9-178-69175.4000112.3R639 I682 H780 Y781 L785 Y788R639-L783 WeakPolarHBondContact CG-O 3.31Å; I682-L783 HydrophobicContact CD1-CD2 3.98Å; I682-L783 HydrophobicContact CG2-CD1 4.46Å; H780-L783 WeakPolarHBondContact ND1-CB 3.1Å; H780-L783 WeakPolarHBondContact ND1-CG 3.31Å; H780-L783 PolarHBondContact ND1-N 3.42Å; H780-L783 PolarHBondContact O-N 2.93Å; H780-L783 VanDerWaalsContact O-N 3.16Å; Y781-L783 PolarHBondContact O-N 2.97Å; L783-L785 VanDerWaalsContact C-N 3.3Å; L783-L785 HydrophobicContact CB-CD1 3.99Å; L783-L785 HydrophobicContact CB-CG 4.1Å; L783-L785 HydrophobicContact CD1-CD1 4.32Å; L783-L785 PolarHBondContact O-N 3.2Å; L783-Y788 HydrophobicContact CD1-CD1 4.13Å; L783-Y788 HydrophobicContact CD1-CD2 3.85Å; L783-Y788 HydrophobicContact CD1-CE1 3.89Å; L783-Y788 HydrophobicContact CD1-CE2 3.58Å; L783-Y788 HydrophobicContact CD1-CG 4.12Å
784A93.4Very high93.5Very high19 Ų1933.7 Ų33.716%0.15717%0.171CC..THydrogen-bonded Turntrans55.840.4-172.900000114G642 A644 Y779 H780G642-A784 VanDerWaalsContact O-CB 3.29Å; G642-A784 WeakPolarHBondContact O-CB 3.4Å; A644-A784 HydrophobicContact CB-CB 4.47Å; Y779-A784 WeakPolarHBondContact OH-CA 3.26Å; H780-A784 PolarHBondContact O-N 2.95Å
785L93.7Very high93.7Very high25 Ų2530.7 Ų30.713%0.13115%0.152CC..BIsolated β-bridgetrans-115.4141.2179.4-64.1172.4000110.8I682 H686 Y779 H780 L783 Y788I682-L785 HydrophobicContact CG2-CD1 3.73Å; H686-L785 HydrophobicContact CB-CD1 4.16Å; Y779-L785 VanDerWaalsContact CD2-O 3.27Å; Y779-L785 WeakPolarHBondContact CD2-O 3.21Å; H780-L785 PolarHBondContact N-O 2.91Å; L783-L785 VanDerWaalsContact C-N 3.3Å; L783-L785 HydrophobicContact CB-CD1 3.99Å; L783-L785 HydrophobicContact CB-CG 4.1Å; L783-L785 HydrophobicContact CD1-CD1 4.32Å; L783-L785 PolarHBondContact O-N 3.2Å; L785-Y788 HydrophobicContact CD1-CD2 3.85Å; L785-Y788 HydrophobicContact CD1-CE2 4.45Å
786D92.1Very high94Very high65 Ų6529.5 Ų29.535%0.34814%0.142SC..SBendtrans-71.5-38.6176.362.9-35.9000112.9H686 F778H686-D786 IonicContact CE1-OD1 3.92Å; H686-D786 PolarHBondContact CE1-OD1 3.33Å; H686-D786 IonicContact ND1-OD1 3.77Å; H686-D786 IonicContact NE2-OD1 2.69Å; F778-D786 CarbonylContact C-O 3.59Å
787R94.9Very high94.3Very high27 Ų2725.2 Ų25.210%0.10212%0.117CC..SBendtrans-132.1133.8177.2-55.6-66.1175.7-97-0.9109.7H686 A689 R690 E775H686-R787 PolarHBondContact ND1-O 2.85Å; A689-R787 HydrophobicContact CB-CB 4.04Å; R690-R787 HydrophobicContact CG-CB 4.09Å; R690-R787 HydrophobicContact CG-CG 4.2Å; E775-R787 VanDerWaalsContact CD-NH2 3.29Å; E775-R787 IonicContact OE1-CZ 3.93Å; E775-R787 IonicContact OE1-NH2 3.19Å; E775-R787 PolarHBondContact OE1-NH2 3.35Å
788Y97.3Very high94.7Very high17 Ų1721.8 Ų21.87%0.06710%0.101CC..  trans-147.1144.8177.3-170.9-106.6000110.4I682 N685 R703 H780 L783 L785 H790I682-Y788 HydrophobicContact CG2-CE2 4.29Å; N685-Y788 HydrophobicContact CB-CD2 4.07Å; N685-Y788 HydrophobicContact CB-CE2 3.5Å; N685-Y788 VanDerWaalsContact CB-CE2 3.5Å; N685-Y788 PolarHBondContact ND2-OH 3.44Å; R703-Y788 HydrophobicContact CB-CD1 4.18Å; R703-Y788 PolarHBondContact N-O 3.26Å; H780-Y788 AromaticContact CD2-CD1 3.68Å; L783-Y788 HydrophobicContact CD1-CD1 4.13Å; L783-Y788 HydrophobicContact CD1-CD2 3.85Å; L783-Y788 HydrophobicContact CD1-CE1 3.89Å; L783-Y788 HydrophobicContact CD1-CE2 3.58Å; L783-Y788 HydrophobicContact CD1-CG 4.12Å; L785-Y788 HydrophobicContact CD1-CD2 3.85Å; L785-Y788 HydrophobicContact CD1-CE2 4.45Å; Y788-H790 AromaticContact CE1-CD2 3.5Å; Y788-H790 AromaticContact CE1-NE2 3.65Å; Y788-H790 AromaticContact CZ-CD2 3.82Å
789T97.5Very high94.9Very high0 Ų021.5 Ų21.50%010%0.099CC..  trans-146.5-179.2171.4-161.50000108.7N685 V688 A689 I692 L701 V803N685-T789 WeakPolarHBondContact CB-O 3.46Å; N685-T789 VanDerWaalsContact CG-O 3.31Å; V688-T789 HydrophobicContact CG1-CG2 4.38Å; A689-T789 HydrophobicContact CB-CG2 3.84Å; I692-T789 HydrophobicContact CD1-CG2 4.26Å; L701-T789 PolarHBondContact O-OG1 3.43Å; T789-V803 HydrophobicContact CG2-CG1 3.98Å; T789-V803 HydrophobicContact CG2-CG2 4.17Å; T789-V803 WeakPolarHBondContact OG1-CG2 3.31Å
790H97.8Very high95.1Very high11 Ų1117.3 Ų17.35%0.0518%0.083CC..  trans-113132.6168-68170.4000110.5R703 Y767 Y788 R797 D800 V803R703-H790 PolarHBondContact NH1-CE1 3.07Å; R703-H790 PolarHBondContact NH1-NE2 3.18Å; Y767-H790 HydrophobicContact CE1-CB 4.41Å; Y767-H790 AromaticContact CE1-ND1 3.88Å; Y767-H790 AromaticContact CZ-ND1 3.63Å; Y767-H790 PolarHBondContact OH-ND1 2.89Å; Y788-H790 AromaticContact CE1-CD2 3.5Å; Y788-H790 AromaticContact CE1-NE2 3.65Å; Y788-H790 AromaticContact CZ-CD2 3.82Å; H790-R797 PolarHBondContact CE1-NH1 3.26Å; H790-R797 PolarHBondContact ND1-NH1 3.19Å; H790-D800 WeakPolarHBondContact CB-OD1 3.29Å; H790-V803 WeakPolarHBondContact O-CG2 3.43Å
791F97.3Very high95.1Very high0 Ų016.8 Ų16.80%08%0.081CC..  trans-134.3-23.5-176.1168.1-104.1000111.7I504 M558 V560 N685 V688 S793 V803 H804 L807I504-F791 HydrophobicContact CB-CE1 4.12Å; I504-F791 HydrophobicContact CB-CZ 4.34Å; I504-F791 HydrophobicContact CG1-CD1 3.93Å; I504-F791 HydrophobicContact CG1-CE1 3.46Å; I504-F791 VanDerWaalsContact CG1-CE1 3.46Å; I504-F791 HydrophobicContact CG1-CZ 4.17Å; M558-F791 HydrophobicContact CB-CE2 4.41Å; M558-F791 HydrophobicContact CB-CZ 4.07Å; M558-F791 HydrophobicContact CG-CE2 4.05Å; M558-F791 HydrophobicContact CG-CZ 3.89Å; M558-F791 HydrophobicContact SD-CE2 3.82Å; M558-F791 HydrophobicContact SD-CZ 4.29Å; V560-F791 HydrophobicContact CG2-CE1 3.81Å; V560-F791 HydrophobicContact CG2-CZ 4.25Å; N685-F791 WeakPolarHBondContact OD1-CB 3.4Å; N685-F791 PolarHBondContact OD1-N 2.84Å; V688-F791 HydrophobicContact CB-CB 4.38Å; V688-F791 HydrophobicContact CB-CG 4.33Å; V688-F791 HydrophobicContact CG1-CB 4.21Å; V688-F791 HydrophobicContact CG1-CD2 4.01Å; V688-F791 HydrophobicContact CG1-CG 4.15Å; V688-F791 HydrophobicContact CG2-CB 4.46Å; V688-F791 HydrophobicContact CG2-CD1 3.95Å; V688-F791 HydrophobicContact CG2-CD2 4.19Å; V688-F791 HydrophobicContact CG2-CE1 4.24Å; V688-F791 HydrophobicContact CG2-CE2 4.47Å; V688-F791 HydrophobicContact CG2-CG 3.93Å; F791-S793 PolarHBondContact O-N 3.25Å; F791-V803 HydrophobicContact CB-CG1 4.13Å; F791-V803 HydrophobicContact CD2-CG1 4.06Å; F791-H804 AromaticContact CD2-CD2 3.22Å; F791-H804 WeakPolarHBondContact CD2-CD2 3.42Å; F791-H804 AromaticContact CD2-NE2 3.34Å; F791-H804 VanDerWaalsContact CD2-NE2 3.34Å; F791-H804 WeakPolarHBondContact CD2-NE2 3.42Å; F791-H804 AromaticContact CE2-CD2 3.27Å; F791-H804 WeakPolarHBondContact CE2-CD2 3.2Å; F791-H804 AromaticContact CE2-CE1 3.81Å; F791-H804 AromaticContact CE2-CG 3.93Å; F791-H804 AromaticContact CE2-NE2 3.18Å; F791-H804 WeakPolarHBondContact CE2-NE2 3.38Å; F791-H804 AromaticContact CZ-NE2 3.81Å; F791-H804 PolarHBondContact O-NE2 3.47Å; F791-L807 HydrophobicContact CD2-CD2 4.41Å; F791-L807 HydrophobicContact CE2-CD2 3.77Å; F791-L807 HydrophobicContact CZ-CD2 4.25Å
792T96.4Very high95.3Very high7 Ų716.5 Ų16.54%0.0438%0.08CC..SBendtrans-89.12.6-160.3590000116I504 M681 A684 N685 R797I504-T792 HydrophobicContact CD1-CG2 4.04Å; I504-T792 HydrophobicContact CG1-CG2 4.5Å; M681-T792 HydrophobicContact CB-CG2 4.01Å; M681-T792 HydrophobicContact CG-CG2 4.27Å; M681-T792 HydrophobicContact SD-CG2 3.5Å; M681-T792 VanDerWaalsContact SD-CG2 3.5Å; A684-T792 HydrophobicContact CB-CG2 4.15Å; N685-T792 WeakPolarHBondContact OD1-CG2 3.46Å; T792-R797 PolarHBondContact OG1-NH2 3.32Å
793S95.7Very high95.6Very high2 Ų216 Ų161%0.0148%0.076CC..  trans-148.459.3-178.4-49.90000114.4D484 F791 I795 R796 R797 D800D484-S793 VanDerWaalsContact CG-CA 3.41Å; D484-S793 VanDerWaalsContact OD1-C 3.32Å; D484-S793 WeakPolarHBondContact OD1-CA 3.11Å; D484-S793 WeakPolarHBondContact OD2-CA 3.42Å; D484-S793 VanDerWaalsContact OD2-CB 3.24Å; D484-S793 WeakPolarHBondContact OD2-CB 3.41Å; F791-S793 PolarHBondContact O-N 3.25Å; S793-I795 PolarHBondContact O-N 2.96Å; S793-R796 PolarHBondContact O-N 3.41Å; S793-R796 PolarHBondContact OG-NE 3.48Å; S793-R796 PolarHBondContact OG-NH2 3.15Å; S793-R797 VanDerWaalsContact CB-NH2 3.28Å; S793-R797 PolarHBondContact O-N 3.49Å; S793-R797 PolarHBondContact OG-NH2 3.21Å; S793-D800 WeakPolarHBondContact CA-OD2 3.4Å; S793-D800 PolarHBondContact N-OD2 3.01Å; S793-D800 VanDerWaalsContact O-OD2 3.09Å
794P96Very high95.8Very high0 Ų014.8 Ų14.80%07%0.069CC..THydrogen-bonded Turntrans-66.3-15.7-178.531.5-37.6000114.5D484 I504 A505 V507 M537 R796 D800 M801D484-P794 WeakPolarHBondContact OD1-CD 3.29Å; I504-P794 HydrophobicContact CG2-CG 3.84Å; A505-P794 WeakPolarHBondContact O-CG 3.34Å; V507-P794 HydrophobicContact CB-CB 4.07Å; V507-P794 HydrophobicContact CB-CG 4.37Å; V507-P794 HydrophobicContact CG2-CB 3.87Å; V507-P794 HydrophobicContact CG2-CG 3.8Å; M537-P794 WeakPolarHBondContact CE-O 3.43Å; P794-R796 VanDerWaalsContact C-N 3.28Å; P794-D800 HydrophobicContact CB-CB 4Å; P794-M801 HydrophobicContact CB-CG 4.06Å
795I94.4Very high95.8Very high2 Ų215.4 Ų15.41%0.017%0.068CC..THydrogen-bonded Turntrans-67.3-34.8173.9-63.3170.5000110.7D482 D484 A505 V507 M537 S543 C547 S793D482-I795 HydrophobicContact CB-CG2 4.14Å; D484-I795 WeakPolarHBondContact OD1-CB 3.33Å; D484-I795 WeakPolarHBondContact OD1-CD1 3.35Å; D484-I795 WeakPolarHBondContact OD1-CG1 3.28Å; D484-I795 PolarHBondContact OD1-N 3.34Å; A505-I795 HydrophobicContact CB-CD1 4.08Å; A505-I795 HydrophobicContact CB-CG1 4.29Å; V507-I795 HydrophobicContact CG2-CG1 3.81Å; M537-I795 WeakPolarHBondContact CE-O 3.38Å; S543-I795 VanDerWaalsContact CB-CG2 3.45Å; C547-I795 HydrophobicContact CB-CD1 4.15Å; C547-I795 HydrophobicContact CB-CG1 4.11Å; S793-I795 PolarHBondContact O-N 2.96Å
796R93.9Very high95.8Very high86 Ų8614.2 Ų14.233%0.3256%0.062SC..THydrogen-bonded Turntrans-114.5-8-172.557.8177.3-176.7136.33.7115.4D484 T526 T527 Y529 S793 P794D484-R796 IonicContact OD2-NE 3.8Å; T526-R796 CarbonylContact C-O 3.55Å; T526-R796 VanDerWaalsContact CA-O 3.25Å; T526-R796 WeakPolarHBondContact CA-O 3.46Å; T526-R796 PolarHBondContact OG1-O 3.34Å; T527-R796 PolarHBondContact N-O 2.92Å; T527-R796 WeakPolarHBondContact OG1-CA 3.37Å; Y529-R796 WeakPolarHBondContact OH-CD 3.01Å; S793-R796 PolarHBondContact O-N 3.41Å; S793-R796 PolarHBondContact OG-NE 3.48Å; S793-R796 PolarHBondContact OG-NH2 3.15Å; P794-R796 VanDerWaalsContact C-N 3.28Å
797R96.3Very high95.9Very high36 Ų3611.1 Ų11.114%0.1365%0.045CC..BIsolated β-bridgetrans-133.5122.7179.4-65.9-179-60.3-155.10.6111.8H790 T792 S793 A799 D800H790-R797 PolarHBondContact CE1-NH1 3.26Å; H790-R797 PolarHBondContact ND1-NH1 3.19Å; T792-R797 PolarHBondContact OG1-NH2 3.32Å; S793-R797 VanDerWaalsContact CB-NH2 3.28Å; S793-R797 PolarHBondContact O-N 3.49Å; S793-R797 PolarHBondContact OG-NH2 3.21Å; R797-A799 VanDerWaalsContact C-N 3.28Å; R797-A799 PolarHBondContact O-N 3.24Å; R797-D800 HydrophobicContact CB-CB 4.41Å; R797-D800 IonicContact CZ-OD1 2.77Å; R797-D800 IonicContact CZ-OD2 2.96Å; R797-D800 IonicContact NE-OD1 3.52Å; R797-D800 PolarHBondContact NE-OD1 3.24Å; R797-D800 IonicContact NE-OD2 3.38Å; R797-D800 PolarHBondContact NE-OD2 2.99Å; R797-D800 IonicContact NH2-OD1 3.25Å; R797-D800 IonicContact NH2-OD2 3.53Å; R797-D800 PolarHBondContact NH2-OD2 3.23Å; R797-D800 PolarHBondContact O-N 3.34Å
798Y96.9Very high95.7Very high4 Ų410.8 Ų10.82%0.0165%0.046CC..Hα-helixtrans-67.2-30.2176.8-170.8-105.1000112.5D518 A521 R522 A525 M537 D800 M801 V802 L832 I836D518-Y798 VanDerWaalsContact OD1-CE2 3.3Å; D518-Y798 WeakPolarHBondContact OD1-CE2 3.49Å; D518-Y798 PolarHBondContact OD1-OH 3.11Å; D518-Y798 VanDerWaalsContact OD1-OH 3.13Å; D518-Y798 PolarHBondContact OD2-OH 3.44Å; A521-Y798 HydrophobicContact CB-CD2 3.95Å; A521-Y798 HydrophobicContact CB-CE2 4.27Å; R522-Y798 HydrophobicContact CB-CD1 4.39Å; R522-Y798 HydrophobicContact CB-CD2 4.4Å; R522-Y798 HydrophobicContact CB-CE1 3.89Å; R522-Y798 HydrophobicContact CB-CE2 3.88Å; R522-Y798 HydrophobicContact CG-CD1 4.39Å; R522-Y798 HydrophobicContact CG-CE1 3.8Å; A525-Y798 WeakPolarHBondContact O-CB 3.47Å; A525-Y798 PolarHBondContact O-N 2.86Å; M537-Y798 PolarHBondContact SD-N 3.47Å; Y798-D800 PolarHBondContact O-N 2.83Å; Y798-M801 HydrophobicContact CD2-SD 4.06Å; Y798-M801 HydrophobicContact CE2-SD 4.5Å; Y798-M801 WeakPolarHBondContact O-CB 3.28Å; Y798-M801 PolarHBondContact O-N 2.72Å; Y798-M801 VanDerWaalsContact O-N 3.16Å; Y798-V802 HydrophobicContact CD1-CG2 3.94Å; Y798-V802 HydrophobicContact CE1-CG2 3.67Å; Y798-V802 WeakPolarHBondContact O-CG2 3.33Å; Y798-V802 PolarHBondContact O-N 3.23Å; Y798-L832 HydrophobicContact CD1-CD1 4.1Å; Y798-L832 HydrophobicContact CE1-CD1 3.82Å; Y798-L832 HydrophobicContact CE1-CD2 4.17Å; Y798-I836 HydrophobicContact CD1-CD1 4.36Å
799A96.8Very high95.4Very high0 Ų011.2 Ų11.20%05%0.053CC..Hα-helixtrans-55.2-39.7174.200000111.7L701 Y767 R797 V802 V803 I836L701-A799 HydrophobicContact CD2-CB 4.04Å; Y767-A799 HydrophobicContact CD1-CB 4.15Å; Y767-A799 HydrophobicContact CE1-CB 3.55Å; Y767-A799 HydrophobicContact CE2-CB 4.44Å; R797-A799 VanDerWaalsContact C-N 3.28Å; R797-A799 PolarHBondContact O-N 3.24Å; A799-V802 WeakPolarHBondContact O-CB 3.33Å; A799-V802 PolarHBondContact O-N 3.3Å; A799-V803 WeakPolarHBondContact O-CG2 3.41Å; A799-V803 PolarHBondContact O-N 2.62Å; A799-I836 HydrophobicContact CB-CD1 4.2Å; A799-I836 HydrophobicContact CB-CG2 4.38Å
800D97.1Very high95.1Very high0 Ų011.2 Ų11.20%05%0.053CC..Hα-helixtrans-70.7-37.7-178.4-56.63.6000110.2H790 S793 P794 R797 Y798 V802 V803 H804H790-D800 WeakPolarHBondContact CB-OD1 3.29Å; S793-D800 WeakPolarHBondContact CA-OD2 3.4Å; S793-D800 PolarHBondContact N-OD2 3.01Å; S793-D800 VanDerWaalsContact O-OD2 3.09Å; P794-D800 HydrophobicContact CB-CB 4Å; R797-D800 HydrophobicContact CB-CB 4.41Å; R797-D800 IonicContact CZ-OD1 2.77Å; R797-D800 IonicContact CZ-OD2 2.96Å; R797-D800 IonicContact NE-OD1 3.52Å; R797-D800 PolarHBondContact NE-OD1 3.24Å; R797-D800 IonicContact NE-OD2 3.38Å; R797-D800 PolarHBondContact NE-OD2 2.99Å; R797-D800 IonicContact NH2-OD1 3.25Å; R797-D800 IonicContact NH2-OD2 3.53Å; R797-D800 PolarHBondContact NH2-OD2 3.23Å; R797-D800 PolarHBondContact O-N 3.34Å; Y798-D800 PolarHBondContact O-N 2.83Å; D800-V802 VanDerWaalsContact C-N 3.33Å; D800-V802 PolarHBondContact O-N 3.2Å; D800-V803 CarbonylContact O-C 3.58Å; D800-V803 PolarHBondContact O-N 2.62Å; D800-H804 WeakPolarHBondContact O-CB 3.46Å; D800-H804 PolarHBondContact O-CD2 3.35Å; D800-H804 PolarHBondContact O-N 3.14Å
801M95.8Very high94.7Very high0 Ų011.8 Ų11.80%06%0.056CC..Hα-helixtrans-60.6-41.7172.1-66.1-1796300112.1V507 T508 V511 M537 L538 P794 Y798 V803 H804 R805V507-M801 HydrophobicContact CG1-CE 3.99Å; V507-M801 HydrophobicContact CG1-CG 4.26Å; V507-M801 HydrophobicContact CG1-SD 4.02Å; T508-M801 HydrophobicContact CG2-CB 4.34Å; T508-M801 WeakPolarHBondContact CG2-O 3.22Å; V511-M801 HydrophobicContact CB-CE 3.68Å; V511-M801 HydrophobicContact CG1-CE 3.69Å; V511-M801 HydrophobicContact CG2-CE 4.34Å; M537-M801 HydrophobicContact CE-SD 3.8Å; L538-M801 HydrophobicContact CD2-SD 4.5Å; P794-M801 HydrophobicContact CB-CG 4.06Å; Y798-M801 HydrophobicContact CD2-SD 4.06Å; Y798-M801 HydrophobicContact CE2-SD 4.5Å; Y798-M801 WeakPolarHBondContact O-CB 3.28Å; Y798-M801 PolarHBondContact O-N 2.72Å; Y798-M801 VanDerWaalsContact O-N 3.16Å; M801-V803 VanDerWaalsContact C-N 3.35Å; M801-H804 PolarHBondContact O-N 2.96Å; M801-R805 WeakPolarHBondContact O-CG 3.43Å; M801-R805 PolarHBondContact O-N 3.12Å
802V95.2Very high94.2Very high10 Ų1016.8 Ų16.86%0.0618%0.079CC..Hα-helixtrans-62.9-43.8175.11770000110.4L701 Y798 A799 D800 R805 L806 M829 L832L701-V802 HydrophobicContact CB-CG1 4.31Å; L701-V802 HydrophobicContact CD2-CB 4.01Å; L701-V802 HydrophobicContact CD2-CG1 3.94Å; Y798-V802 HydrophobicContact CD1-CG2 3.94Å; Y798-V802 HydrophobicContact CE1-CG2 3.67Å; Y798-V802 WeakPolarHBondContact O-CG2 3.33Å; Y798-V802 PolarHBondContact O-N 3.23Å; A799-V802 WeakPolarHBondContact O-CB 3.33Å; A799-V802 PolarHBondContact O-N 3.3Å; D800-V802 VanDerWaalsContact C-N 3.33Å; D800-V802 PolarHBondContact O-N 3.2Å; V802-R805 PolarHBondContact O-N 3.5Å; V802-L806 HydrophobicContact CG1-CD1 4.11Å; V802-L806 HydrophobicContact CG1-CG 4.48Å; V802-L806 WeakPolarHBondContact O-CG 3.3Å; V802-L806 PolarHBondContact O-N 2.85Å; V802-M829 HydrophobicContact CG1-CE 4.06Å; V802-M829 HydrophobicContact CG1-SD 4.05Å; V802-L832 HydrophobicContact CG2-CD2 3.87Å
803V96.3Very high93.6Very high0 Ų020 Ų200%010%0.096CC..Hα-helixtrans-65.3-39.1177.4170.80000111.9V688 I692 T789 H790 F791 A799 D800 M801 L806 L807V688-V803 HydrophobicContact CG1-CG1 3.52Å; I692-V803 HydrophobicContact CD1-CG1 4.21Å; I692-V803 HydrophobicContact CD1-CG2 4.28Å; T789-V803 HydrophobicContact CG2-CG1 3.98Å; T789-V803 HydrophobicContact CG2-CG2 4.17Å; T789-V803 WeakPolarHBondContact OG1-CG2 3.31Å; H790-V803 WeakPolarHBondContact O-CG2 3.43Å; F791-V803 HydrophobicContact CB-CG1 4.13Å; F791-V803 HydrophobicContact CD2-CG1 4.06Å; A799-V803 WeakPolarHBondContact O-CG2 3.41Å; A799-V803 PolarHBondContact O-N 2.62Å; D800-V803 CarbonylContact O-C 3.58Å; D800-V803 PolarHBondContact O-N 2.62Å; M801-V803 VanDerWaalsContact C-N 3.35Å; V803-L806 PolarHBondContact O-N 2.84Å; V803-L807 VanDerWaalsContact O-CB 3.3Å; V803-L807 WeakPolarHBondContact O-CB 3.39Å; V803-L807 PolarHBondContact O-N 2.93Å
804H95.9Very high93Very high0 Ų025.8 Ų25.80%012%0.123CC..Hα-helixtrans-61.9-41.7173.7-83.3-134.9000111.7A505 T508 M558 F791 D800 M801 L807 T808A505-H804 PolarHBondContact O-CE1 2.79Å; T508-H804 HydrophobicContact CG2-CB 3.37Å; M558-H804 HydrophobicContact SD-CB 4.02Å; F791-H804 AromaticContact CD2-CD2 3.22Å; F791-H804 WeakPolarHBondContact CD2-CD2 3.42Å; F791-H804 AromaticContact CD2-NE2 3.34Å; F791-H804 VanDerWaalsContact CD2-NE2 3.34Å; F791-H804 WeakPolarHBondContact CD2-NE2 3.42Å; F791-H804 AromaticContact CE2-CD2 3.27Å; F791-H804 WeakPolarHBondContact CE2-CD2 3.2Å; F791-H804 AromaticContact CE2-CE1 3.81Å; F791-H804 AromaticContact CE2-CG 3.93Å; F791-H804 AromaticContact CE2-NE2 3.18Å; F791-H804 WeakPolarHBondContact CE2-NE2 3.38Å; F791-H804 AromaticContact CZ-NE2 3.81Å; F791-H804 PolarHBondContact O-NE2 3.47Å; D800-H804 WeakPolarHBondContact O-CB 3.46Å; D800-H804 PolarHBondContact O-CD2 3.35Å; D800-H804 PolarHBondContact O-N 3.14Å; M801-H804 PolarHBondContact O-N 2.96Å; H804-L807 PolarHBondContact O-N 3.04Å; H804-T808 WeakPolarHBondContact O-CB 3.45Å; H804-T808 PolarHBondContact O-N 3.4Å; H804-T808 PolarHBondContact O-OG1 2.81Å
805R94.1Very high92.3Very high31 Ų3135.2 Ų35.212%0.11716%0.158CC..Hα-helixtrans-62.9-47.2174-71.6175.3-175.7161.46.4111.3T508 V511 D518 M801 V802 L807 T808 A809T508-R805 HydrophobicContact CG2-CG 4.05Å; V511-R805 PolarHBondContact O-NH2 3.09Å; D518-R805 IonicContact OD1-CZ 3.87Å; D518-R805 VanDerWaalsContact OD1-CZ 3.25Å; D518-R805 IonicContact OD1-NH1 2.75Å; D518-R805 PolarHBondContact OD1-NH1 2.9Å; D518-R805 IonicContact OD1-NH2 3.24Å; D518-R805 PolarHBondContact OD1-NH2 2.96Å; D518-R805 IonicContact OD2-NH1 2.53Å; M801-R805 WeakPolarHBondContact O-CG 3.43Å; M801-R805 PolarHBondContact O-N 3.12Å; V802-R805 PolarHBondContact O-N 3.5Å; R805-L807 PolarHBondContact O-N 2.88Å; R805-T808 PolarHBondContact O-N 3.05Å; R805-A809 WeakPolarHBondContact O-CB 3.4Å; R805-A809 PolarHBondContact O-N 3.34Å
806L93.1Very high91.1Very high1 Ų138.3 Ų38.31%0.00519%0.191CC..Hα-helixtrans-61.4-43.4176.5-72.8171.2000112.1I692 F696 L701 V802 V803 A809 A810 P823 M829I692-L806 HydrophobicContact CG2-CB 4.2Å; F696-L806 HydrophobicContact CD2-CD2 4.2Å; F696-L806 HydrophobicContact CE2-CD2 4.45Å; F696-L806 WeakPolarHBondContact CE2-O 3.48Å; L701-L806 HydrophobicContact CB-CD1 4.23Å; V802-L806 HydrophobicContact CG1-CD1 4.11Å; V802-L806 HydrophobicContact CG1-CG 4.48Å; V802-L806 WeakPolarHBondContact O-CG 3.3Å; V802-L806 PolarHBondContact O-N 2.85Å; V803-L806 PolarHBondContact O-N 2.84Å; L806-A809 PolarHBondContact O-N 2.93Å; L806-A810 WeakPolarHBondContact O-CB 3.35Å; L806-A810 PolarHBondContact O-N 3.22Å; L806-P823 HydrophobicContact CD2-CG 3.61Å; L806-P823 HydrophobicContact CG-CG 4.35Å; L806-M829 HydrophobicContact CD1-CE 4.44Å
807L94.3Very high89.9Confident0 Ų036.5 Ų36.50%020%0.195CC..Hα-helixtrans-65-40.9177.6-177.860.7000111.1M558 F576 V688 K691 I692 F791 V803 H804 R805 A810 L811M558-L807 HydrophobicContact CE-CB 3.82Å; M558-L807 HydrophobicContact CE-CD2 3.55Å; M558-L807 HydrophobicContact CE-CG 3.55Å; M558-L807 HydrophobicContact CG-CD2 4.44Å; M558-L807 HydrophobicContact SD-CD2 3.96Å; M558-L807 HydrophobicContact SD-CG 4.49Å; F576-L807 HydrophobicContact CB-CD1 4.33Å; F576-L807 HydrophobicContact CD1-CD1 4.37Å; F576-L807 HydrophobicContact CG-CD1 4.44Å; V688-L807 HydrophobicContact CG1-CD2 4.14Å; V688-L807 HydrophobicContact CG2-CD2 4.12Å; K691-L807 HydrophobicContact CB-CD1 4.34Å; K691-L807 HydrophobicContact CG-CD1 3.71Å; I692-L807 HydrophobicContact CG2-CB 4.11Å; I692-L807 HydrophobicContact CG2-CD1 4.35Å; F791-L807 HydrophobicContact CD2-CD2 4.41Å; F791-L807 HydrophobicContact CE2-CD2 3.77Å; F791-L807 HydrophobicContact CZ-CD2 4.25Å; V803-L807 VanDerWaalsContact O-CB 3.3Å; V803-L807 WeakPolarHBondContact O-CB 3.39Å; V803-L807 PolarHBondContact O-N 2.93Å; H804-L807 PolarHBondContact O-N 3.04Å; R805-L807 PolarHBondContact O-N 2.88Å; L807-A810 PolarHBondContact O-N 3.21Å; L807-L811 HydrophobicContact CG-CD1 4.39Å; L807-L811 VanDerWaalsContact O-CG 3.26Å; L807-L811 WeakPolarHBondContact O-CG 3.4Å; L807-L811 PolarHBondContact O-N 2.72Å
808T92.4Very high88Confident20 Ų2043.3 Ų43.312%0.12323%0.228CC..Hα-helixtrans-62.3-44.5175.4-58.40000111.2M558 H804 R805 L811 Q812M558-T808 WeakPolarHBondContact CE-OG1 2.83Å; H804-T808 WeakPolarHBondContact O-CB 3.45Å; H804-T808 PolarHBondContact O-N 3.4Å; H804-T808 PolarHBondContact O-OG1 2.81Å; R805-T808 PolarHBondContact O-N 3.05Å; T808-L811 PolarHBondContact O-N 3.03Å; T808-Q812 WeakPolarHBondContact O-CG 3.3Å; T808-Q812 PolarHBondContact O-N 3.08Å
809A90.3Very high85.8Confident26 Ų2647.8 Ų47.822%0.21526%0.257CS..Hα-helixtrans-64.1-40.4176.200000112.2F696 R805 L806 L811 Q812 L813F696-A809 HydrophobicContact CE2-CB 4.1Å; F696-A809 HydrophobicContact CZ-CB 3.84Å; R805-A809 WeakPolarHBondContact O-CB 3.4Å; R805-A809 PolarHBondContact O-N 3.34Å; L806-A809 PolarHBondContact O-N 2.93Å; A809-L811 VanDerWaalsContact C-N 3.33Å; A809-L811 PolarHBondContact O-N 3.29Å; A809-Q812 PolarHBondContact O-N 2.96Å; A809-L813 PolarHBondContact O-N 3.25Å
810A90.9Very high83.7Confident0 Ų050.5 Ų50.50%029%0.286CS..Hα-helixtrans-59.9-43.4175.300000111.4A695 F696 L806 L807 Q812 L813 E814A695-A810 HydrophobicContact CB-CB 3.5Å; F696-A810 HydrophobicContact CE2-CB 3.97Å; L806-A810 WeakPolarHBondContact O-CB 3.35Å; L806-A810 PolarHBondContact O-N 3.22Å; L807-A810 PolarHBondContact O-N 3.21Å; A810-Q812 VanDerWaalsContact C-N 3.35Å; A810-Q812 PolarHBondContact O-N 3.22Å; A810-L813 PolarHBondContact O-N 3.14Å; A810-E814 WeakPolarHBondContact O-CG 3.36Å; A810-E814 PolarHBondContact O-N 3.02Å
811L90.4Very high81.7Confident22 Ų2259.9 Ų59.912%0.11533%0.326CS..Hα-helixtrans-69.3-30.4178.1-66.6172.9000113.3M558 F576 L807 T808 A809 R815M558-L811 HydrophobicContact CE-CD1 4.4Å; F576-L811 HydrophobicContact CB-CD1 4.24Å; F576-L811 HydrophobicContact CB-CD2 4.12Å; L807-L811 HydrophobicContact CG-CD1 4.39Å; L807-L811 VanDerWaalsContact O-CG 3.26Å; L807-L811 WeakPolarHBondContact O-CG 3.4Å; L807-L811 PolarHBondContact O-N 2.72Å; T808-L811 PolarHBondContact O-N 3.03Å; A809-L811 VanDerWaalsContact C-N 3.33Å; A809-L811 PolarHBondContact O-N 3.29Å; L811-R815 WeakPolarHBondContact O-CG 3.27Å; L811-R815 PolarHBondContact O-N 3.24Å
812Q86.8Confident79.8Confident105 Ų10562.3 Ų62.349%0.49134%0.342SS..Hα-helixtrans-69.7-41.3173.7-73.5173-7.500111.6T808 A809 A810 E814 R815 A817T808-Q812 WeakPolarHBondContact O-CG 3.3Å; T808-Q812 PolarHBondContact O-N 3.08Å; A809-Q812 PolarHBondContact O-N 2.96Å; A810-Q812 VanDerWaalsContact C-N 3.35Å; A810-Q812 PolarHBondContact O-N 3.22Å; Q812-E814 VanDerWaalsContact C-N 3.32Å; Q812-E814 PolarHBondContact O-N 3.38Å; Q812-R815 PolarHBondContact O-N 3.29Å; Q812-R815 VanDerWaalsContact O-N 3.11Å; Q812-A817 HydrophobicContact CB-CB 4.31Å; Q812-A817 WeakPolarHBondContact O-CB 3.36Å; Q812-A817 PolarHBondContact O-N 3.28Å
813L83.2Confident78.2Confident74 Ų7463.8 Ų63.839%0.38735%0.352SS..Hα-helixtrans-59.8-42.6176.5-172.968.7000111.5A809 A810 R815 G816 P819A809-L813 PolarHBondContact O-N 3.25Å; A810-L813 PolarHBondContact O-N 3.14Å; L813-R815 PolarHBondContact O-N 2.85Å; L813-G816 PolarHBondContact O-N 2.77Å; L813-P819 HydrophobicContact CD1-CB 4.11Å
814E82.2Confident76.8Confident125 Ų12564.7 Ų64.758%0.58436%0.359SS*.Hα-helixtrans-64-27.3176.6-70.6-169.6149.500113.8K691 A810 Q812 G816K691-E814 WeakPolarHBondContact CE-OE1 3.25Å; K691-E814 WeakPolarHBondContact CE-OE2 3.34Å; K691-E814 IonicContact NZ-OE1 3.76Å; K691-E814 PolarHBondContact NZ-OE1 3.35Å; K691-E814 IonicContact NZ-OE2 3.74Å; K691-E814 PolarHBondContact NZ-OE2 3.12Å; A810-E814 WeakPolarHBondContact O-CG 3.36Å; A810-E814 PolarHBondContact O-N 3.02Å; Q812-E814 VanDerWaalsContact C-N 3.32Å; Q812-E814 PolarHBondContact O-N 3.38Å; E814-G816 PolarHBondContact O-N 2.88Å
815R82Confident76.1Confident197 Ų19766 Ų6674%0.74337%0.374SS*.THydrogen-bonded Turntrans-82.75.5176.7-67.7173.2-176.7-167.60.5112.9L811 Q812 L813 A817L811-R815 WeakPolarHBondContact O-CG 3.27Å; L811-R815 PolarHBondContact O-N 3.24Å; Q812-R815 PolarHBondContact O-N 3.29Å; Q812-R815 VanDerWaalsContact O-N 3.11Å; L813-R815 PolarHBondContact O-N 2.85Å; R815-A817 VanDerWaalsContact C-N 3.33Å
816G69.9Low75.7Confident67 Ų6767 Ų6769%0.69138%0.381SS*.THydrogen-bonded Turntrans75.718.9178.400000114.1L813 E814L813-G816 PolarHBondContact O-N 2.77Å; E814-G816 PolarHBondContact O-N 2.88Å
817A68.4Low75.4Confident49 Ų4973.6 Ų73.641%0.40541%0.41SS..  trans-65.1144.9168.400000109.8Q812 R815Q812-A817 HydrophobicContact CB-CB 4.31Å; Q812-A817 WeakPolarHBondContact O-CB 3.36Å; Q812-A817 PolarHBondContact O-N 3.28Å; R815-A817 VanDerWaalsContact C-N 3.33Å
818E55.8Low75.1Confident178 Ų17877.5 Ų77.583%0.83243%0.431SS*.  trans-44.4134.3167.8-78.6-90.5151.900108.8G820E818-G820 VanDerWaalsContact C-N 3.28Å; E818-G820 PolarHBondContact O-N 2.94Å
819P52.1Low75Confident98 Ų9876.7 Ų76.764%0.63643%0.426SS*.  trans-60.497.2179.923.7-30.7000107.9L813 K821L813-P819 HydrophobicContact CD1-CB 4.11Å; P819-K821 PolarHBondContact O-N 2.99Å
820G52.3Low75Confident58 Ų5879.1 Ų79.160%0.59843%0.433SS*.  trans-50136.4167.200000106.7E818E818-G820 VanDerWaalsContact C-N 3.28Å; E818-G820 PolarHBondContact O-N 2.94Å
821K54.1Low75Confident196 Ų19683.8 Ų83.885%0.85245%0.454SS*.  trans-44.6131.9174.1-82.2177.3177.6173.50107.7P819P819-K821 PolarHBondContact O-N 2.99Å
822P57.1Low75.1Confident51 Ų5183.2 Ų83.233%0.33145%0.451SS..  trans-52.6139.3173.223.2-32.9000108.4A824P822-A824 PolarHBondContact O-N 3.1Å
823P59.8Low75.5Confident41 Ų4178.4 Ų78.427%0.26643%0.429SS..SBendtrans-56.6-29.1-170.216.9-28.8000112.4L806L806-P823 HydrophobicContact CD2-CG 3.61Å; L806-P823 HydrophobicContact CG-CG 4.35Å
824A67.9Low75.9Confident19 Ų1980.8 Ų80.816%0.15744%0.438CS..SBendtrans-143.4150.1174.400000111.8P822 D828 M829P822-A824 PolarHBondContact O-N 3.1Å; A824-D828 HydrophobicContact CB-CB 4.06Å; A824-M829 HydrophobicContact CB-CE 3.93Å
825G81.6Confident76.5Confident29 Ų2977.5 Ų77.530%0.29942%0.423SS..  trans-67.9160.9167.500000111.5K827 D828 M829G825-K827 VanDerWaalsContact C-N 3.26Å; G825-K827 PolarHBondContact O-N 2.92Å; G825-D828 PolarHBondContact N-OD2 3.07Å; G825-D828 PolarHBondContact O-N 3.4Å; G825-M829 PolarHBondContact O-N 3.26Å
826N85.3Confident77.1Confident51 Ų5168.4 Ų68.427%0.27339%0.389SS..Hα-helixtrans-55.4-42.2-178.8-178.835.9000112.4Y698 S769 G771 M829 E830Y698-N826 PolarHBondContact O-OD1 2.9Å; S769-N826 PolarHBondContact OG-OD1 3.16Å; G771-N826 WeakPolarHBondContact CA-OD1 3.31Å; G771-N826 PolarHBondContact O-ND2 3.42Å; N826-M829 PolarHBondContact O-N 3.47Å; N826-E830 WeakPolarHBondContact O-CB 2.99Å; N826-E830 PolarHBondContact O-N 3.22Å
827K87.1Confident78.3Confident139 Ų13965.9 Ų65.960%0.60436%0.36SS*.Hα-helixtrans-65-40.8178.1-172.8-178.8175.2-166.90112.4G825 M829 E830 E831G825-K827 VanDerWaalsContact C-N 3.26Å; G825-K827 PolarHBondContact O-N 2.92Å; K827-M829 VanDerWaalsContact C-N 3.31Å; K827-M829 PolarHBondContact O-N 3.46Å; K827-E830 PolarHBondContact O-N 3.15Å; K827-E831 VanDerWaalsContact CE-OE1 3.23Å; K827-E831 WeakPolarHBondContact CE-OE1 3.32Å; K827-E831 IonicContact NZ-OE1 2.76Å; K827-E831 WeakPolarHBondContact O-CG 3.41Å; K827-E831 PolarHBondContact O-N 3.41Å
828D87.8Confident79.5Confident83 Ų8366.3 Ų66.344%0.44436%0.36SS..Hα-helixtrans-67.2-36.7178.6-56.8-40.3000110.8A824 G825 L832A824-D828 HydrophobicContact CB-CB 4.06Å; G825-D828 PolarHBondContact N-OD2 3.07Å; G825-D828 PolarHBondContact O-N 3.4Å; D828-L832 VanDerWaalsContact O-CB 3.23Å; D828-L832 WeakPolarHBondContact O-CB 3.4Å; D828-L832 PolarHBondContact O-N 3.46Å
829M90.3Very high81.3Confident3 Ų360.3 Ų60.32%0.01533%0.33CS..Hα-helixtrans-67.4-37.7174.7-164.362.474.300112.2L701 V802 L806 A824 G825 N826 K827 L832 A833L701-M829 HydrophobicContact CB-SD 4.03Å; L701-M829 HydrophobicContact CD1-CG 4.49Å; L701-M829 HydrophobicContact CD1-SD 4.23Å; V802-M829 HydrophobicContact CG1-CE 4.06Å; V802-M829 HydrophobicContact CG1-SD 4.05Å; L806-M829 HydrophobicContact CD1-CE 4.44Å; A824-M829 HydrophobicContact CB-CE 3.93Å; G825-M829 PolarHBondContact O-N 3.26Å; N826-M829 PolarHBondContact O-N 3.47Å; K827-M829 VanDerWaalsContact C-N 3.31Å; K827-M829 PolarHBondContact O-N 3.46Å; M829-L832 PolarHBondContact O-N 3.36Å; M829-L832 HydrophobicContact SD-CD2 4.21Å; M829-A833 WeakPolarHBondContact O-CB 3.5Å; M829-A833 PolarHBondContact O-N 3Å
830E91.1Very high83.3Confident77 Ų7757.9 Ų57.936%0.3631%0.311SS..Hα-helixtrans-64.2-50.4174-176.1175.6-159.800111.4A772 N826 K827 L832 A833 E834A772-E830 HydrophobicContact CB-CG 4.24Å; N826-E830 WeakPolarHBondContact O-CB 2.99Å; N826-E830 PolarHBondContact O-N 3.22Å; K827-E830 PolarHBondContact O-N 3.15Å; E830-L832 VanDerWaalsContact C-N 3.26Å; E830-L832 PolarHBondContact O-N 3.29Å; E830-A833 PolarHBondContact O-N 2.85Å; E830-E834 WeakPolarHBondContact O-CG 3.39Å; E830-E834 PolarHBondContact O-N 3.3Å
831E90.9Very high85.2Confident97 Ų9760.4 Ų60.445%0.45330%0.303SS..Hα-helixtrans-59.5-38.6175.7-70.9-179.3-170.700111.5K827 H835K827-E831 VanDerWaalsContact CE-OE1 3.23Å; K827-E831 WeakPolarHBondContact CE-OE1 3.32Å; K827-E831 IonicContact NZ-OE1 2.76Å; K827-E831 WeakPolarHBondContact O-CG 3.41Å; K827-E831 PolarHBondContact O-N 3.41Å; E831-H835 WeakPolarHBondContact O-CB 3.35Å; E831-H835 PolarHBondContact O-N 3.47Å
832L92.2Very high87Confident11 Ų1151.3 Ų51.36%0.05826%0.264CS..Hα-helixtrans-65.8-44.9175.4179.660000112.1R522 Y798 V802 D828 M829 E830 E834 H835 I836R522-L832 HydrophobicContact CG-CD1 4.1Å; Y798-L832 HydrophobicContact CD1-CD1 4.1Å; Y798-L832 HydrophobicContact CE1-CD1 3.82Å; Y798-L832 HydrophobicContact CE1-CD2 4.17Å; V802-L832 HydrophobicContact CG2-CD2 3.87Å; D828-L832 VanDerWaalsContact O-CB 3.23Å; D828-L832 WeakPolarHBondContact O-CB 3.4Å; D828-L832 PolarHBondContact O-N 3.46Å; M829-L832 PolarHBondContact O-N 3.36Å; M829-L832 HydrophobicContact SD-CD2 4.21Å; E830-L832 VanDerWaalsContact C-N 3.26Å; E830-L832 PolarHBondContact O-N 3.29Å; L832-E834 VanDerWaalsContact C-N 3.34Å; L832-E834 PolarHBondContact O-N 2.94Å; L832-H835 PolarHBondContact O-N 3.03Å; L832-I836 HydrophobicContact CD1-CD1 4.04Å; L832-I836 HydrophobicContact CD1-CG1 4.21Å; L832-I836 HydrophobicContact CG-CD1 3.88Å; L832-I836 HydrophobicContact CG-CG1 4.48Å; L832-I836 VanDerWaalsContact O-CG1 3.28Å; L832-I836 WeakPolarHBondContact O-CG1 3.25Å; L832-I836 PolarHBondContact O-N 2.65Å
833A94.5Very high88.8Confident3 Ų349.4 Ų49.43%0.02525%0.253CS..Hα-helixtrans-61.8-42.3177.800000111.6L701 M829 E830 H835 I836 N837L701-A833 HydrophobicContact CD1-CB 3.94Å; M829-A833 WeakPolarHBondContact O-CB 3.5Å; M829-A833 PolarHBondContact O-N 3Å; E830-A833 PolarHBondContact O-N 2.85Å; A833-H835 PolarHBondContact O-N 3.2Å; A833-I836 PolarHBondContact O-N 2.57Å; A833-N837 WeakPolarHBondContact O-CB 3.31Å; A833-N837 PolarHBondContact O-N 2.69Å; A833-N837 PolarHBondContact O-ND2 3.48Å
834E92.1Very high90.3Very high124 Ų12451.8 Ų51.858%0.57926%0.26SS*.Hα-helixtrans-60.5-43.6174.2-72.7-173.7167.800112.3E830 L832 N837 S838E830-E834 WeakPolarHBondContact O-CG 3.39Å; E830-E834 PolarHBondContact O-N 3.3Å; L832-E834 VanDerWaalsContact C-N 3.34Å; L832-E834 PolarHBondContact O-N 2.94Å; E834-N837 PolarHBondContact O-N 3.34Å; E834-S838 WeakPolarHBondContact O-CB 3.48Å; E834-S838 PolarHBondContact O-N 2.66Å
835H93.4Very high91.5Very high56 Ų5656.4 Ų56.426%0.25927%0.274SS..Hα-helixtrans-61.4-49.4176.317768.3000111.8R522 S523 E831 L832 A833 N837 S838 R839R522-H835 PolarHBondContact O-CD2 3.12Å; R522-H835 VanDerWaalsContact O-CD2 3.3Å; R522-H835 PolarHBondContact O-NE2 3.09Å; S523-H835 PolarHBondContact O-NE2 3.34Å; E831-H835 WeakPolarHBondContact O-CB 3.35Å; E831-H835 PolarHBondContact O-N 3.47Å; L832-H835 PolarHBondContact O-N 3.03Å; A833-H835 PolarHBondContact O-N 3.2Å; H835-N837 VanDerWaalsContact C-N 3.33Å; H835-N837 PolarHBondContact O-N 3.38Å; H835-S838 WeakPolarHBondContact O-CB 3.31Å; H835-S838 PolarHBondContact O-N 3.42Å; H835-S838 VanDerWaalsContact O-N 3.12Å; H835-R839 PolarHBondContact CE1-NE 3.34Å; H835-R839 WeakPolarHBondContact O-CG 3.42Å; H835-R839 PolarHBondContact O-N 3.15Å
836I95.4Very high92.1Very high6 Ų655 Ų553%0.03126%0.26CS..Hα-helixtrans-60-43.9177.5-63.3165.1000110.4A525 L701 Y767 Y798 A799 L832 A833 S838 R839 N840A525-I836 HydrophobicContact CB-CG1 4.2Å; L701-I836 HydrophobicContact CD2-CD1 4.32Å; Y767-I836 HydrophobicContact CD2-CB 4.25Å; Y767-I836 HydrophobicContact CD2-CG2 3.47Å; Y767-I836 VanDerWaalsContact CD2-CG2 3.47Å; Y767-I836 HydrophobicContact CE2-CG2 3.44Å; Y767-I836 VanDerWaalsContact CE2-CG2 3.44Å; Y767-I836 HydrophobicContact CG-CG2 4.3Å; Y798-I836 HydrophobicContact CD1-CD1 4.36Å; A799-I836 HydrophobicContact CB-CD1 4.2Å; A799-I836 HydrophobicContact CB-CG2 4.38Å; L832-I836 HydrophobicContact CD1-CD1 4.04Å; L832-I836 HydrophobicContact CD1-CG1 4.21Å; L832-I836 HydrophobicContact CG-CD1 3.88Å; L832-I836 HydrophobicContact CG-CG1 4.48Å; L832-I836 VanDerWaalsContact O-CG1 3.28Å; L832-I836 WeakPolarHBondContact O-CG1 3.25Å; L832-I836 PolarHBondContact O-N 2.65Å; A833-I836 PolarHBondContact O-N 2.57Å; I836-S838 VanDerWaalsContact C-N 3.32Å; I836-S838 PolarHBondContact O-N 3.34Å; I836-R839 PolarHBondContact O-N 3.04Å; I836-N840 VanDerWaalsContact O-CB 3.28Å; I836-N840 WeakPolarHBondContact O-CB 3.3Å; I836-N840 PolarHBondContact O-N 3.14Å
837N95.4Very high92.4Very high14 Ų1456.1 Ų56.18%0.07526%0.263CS..Hα-helixtrans-61.6-38.9176-75.5-36.3000112.6L766 Y767 A833 E834 H835 R841L766-N837 WeakPolarHBondContact CA-OD1 3.17Å; L766-N837 HydrophobicContact CD2-CB 4.37Å; Y767-N837 WeakPolarHBondContact CD2-OD1 3.4Å; Y767-N837 PolarHBondContact N-ND2 3.33Å; Y767-N837 PolarHBondContact N-OD1 3.05Å; Y767-N837 PolarHBondContact O-ND2 2.83Å; A833-N837 WeakPolarHBondContact O-CB 3.31Å; A833-N837 PolarHBondContact O-N 2.69Å; A833-N837 PolarHBondContact O-ND2 3.48Å; E834-N837 PolarHBondContact O-N 3.34Å; H835-N837 VanDerWaalsContact C-N 3.33Å; H835-N837 PolarHBondContact O-N 3.38Å; N837-R841 WeakPolarHBondContact O-CB 3.49Å; N837-R841 VanDerWaalsContact O-CG 3.28Å; N837-R841 WeakPolarHBondContact O-CG 3.46Å; N837-R841 PolarHBondContact O-N 3.17Å; N837-R841 PolarHBondContact O-NE 3.35Å; N837-R841 VanDerWaalsContact O-NE 3.13Å
838S92.6Very high92.5Very high59 Ų5954 Ų5441%0.41326%0.258SS..Hα-helixtrans-65.3-48.5176.7-170.60000111.5E834 H835 I836 R841 A842E834-S838 WeakPolarHBondContact O-CB 3.48Å; E834-S838 PolarHBondContact O-N 2.66Å; H835-S838 WeakPolarHBondContact O-CB 3.31Å; H835-S838 PolarHBondContact O-N 3.42Å; H835-S838 VanDerWaalsContact O-N 3.12Å; I836-S838 VanDerWaalsContact C-N 3.32Å; I836-S838 PolarHBondContact O-N 3.34Å; S838-R841 PolarHBondContact O-N 3.34Å; S838-A842 PolarHBondContact O-N 3.23Å
839R94.4Very high92.7Very high51 Ų5153 Ų5319%0.19225%0.252CS..Hα-helixtrans-64.6-42.6178.8-69-58.3-166.7-164.5-1.8112.8C430 S523 A525 H835 I836 R841 A842 A843C430-R839 PolarHBondContact O-NH1 3.36Å; S523-R839 PolarHBondContact O-NE 3.24Å; A525-R839 HydrophobicContact CB-CB 3.76Å; A525-R839 HydrophobicContact CB-CG 3.86Å; H835-R839 PolarHBondContact CE1-NE 3.34Å; H835-R839 WeakPolarHBondContact O-CG 3.42Å; H835-R839 PolarHBondContact O-N 3.15Å; I836-R839 PolarHBondContact O-N 3.04Å; R839-R841 VanDerWaalsContact C-N 3.35Å; R839-R841 PolarHBondContact O-N 3.14Å; R839-A842 WeakPolarHBondContact O-CB 3.44Å; R839-A842 PolarHBondContact O-N 2.98Å; R839-A842 VanDerWaalsContact O-N 3.12Å; R839-A843 PolarHBondContact O-N 2.88Å
840N93.6Very high92.8Very high47 Ų4752.9 Ų52.925%0.25125%0.252SS..Hα-helixtrans-61-43.5175.9-170.719.4000111.7I836 A842 A843 Q844I836-N840 VanDerWaalsContact O-CB 3.28Å; I836-N840 WeakPolarHBondContact O-CB 3.3Å; I836-N840 PolarHBondContact O-N 3.14Å; N840-A842 VanDerWaalsContact C-N 3.31Å; N840-A842 PolarHBondContact O-N 3.47Å; N840-A843 PolarHBondContact O-N 2.69Å; N840-Q844 PolarHBondContact O-N 2.8Å
841R92.5Very high92.8Very high112 Ų11251.2 Ų51.242%0.42325%0.247SC..Hα-helixtrans-63.9-36174.3-73.2-179.4-65.7170-4.4112.4Q764 N837 S838 R839 R845Q764-R841 VanDerWaalsContact OE1-CD 3.25Å; N837-R841 WeakPolarHBondContact O-CB 3.49Å; N837-R841 VanDerWaalsContact O-CG 3.28Å; N837-R841 WeakPolarHBondContact O-CG 3.46Å; N837-R841 PolarHBondContact O-N 3.17Å; N837-R841 PolarHBondContact O-NE 3.35Å; N837-R841 VanDerWaalsContact O-NE 3.13Å; S838-R841 PolarHBondContact O-N 3.34Å; R839-R841 VanDerWaalsContact C-N 3.35Å; R839-R841 PolarHBondContact O-N 3.14Å; R841-R845 WeakPolarHBondContact O-CG 3.43Å; R841-R845 PolarHBondContact O-N 3.08Å; R841-R845 PolarHBondContact O-NH1 3.26Å
842A92.8Very high92.7Very high4 Ų447.8 Ų47.83%0.03324%0.238CC..Hα-helixtrans-66-44.3174.400000111.6N429 I431 S838 R839 N840 R845 A846N429-A842 HydrophobicContact CB-CB 4.44Å; N429-A842 WeakPolarHBondContact O-CB 3.48Å; I431-A842 HydrophobicContact CD1-CB 4.33Å; I431-A842 HydrophobicContact CG1-CB 4.17Å; S838-A842 PolarHBondContact O-N 3.23Å; R839-A842 WeakPolarHBondContact O-CB 3.44Å; R839-A842 PolarHBondContact O-N 2.98Å; R839-A842 VanDerWaalsContact O-N 3.12Å; N840-A842 VanDerWaalsContact C-N 3.31Å; N840-A842 PolarHBondContact O-N 3.47Å; A842-R845 PolarHBondContact O-N 3.46Å; A842-A846 WeakPolarHBondContact O-CB 3.49Å; A842-A846 PolarHBondContact O-N 3.09Å
843A93.7Very high92.7Very high12 Ų1248.4 Ų48.410%0.09924%0.241CC..Hα-helixtrans-59.6-50.1177.800000112.1T526 Y528 R839 N840 R845 A846 Q847T526-A843 HydrophobicContact CG2-CB 3.74Å; Y528-A843 HydrophobicContact CD1-CB 3.52Å; Y528-A843 HydrophobicContact CE1-CB 3.74Å; R839-A843 PolarHBondContact O-N 2.88Å; N840-A843 PolarHBondContact O-N 2.69Å; A843-R845 VanDerWaalsContact C-N 3.3Å; A843-R845 PolarHBondContact O-N 2.91Å; A843-A846 PolarHBondContact O-N 3.15Å; A843-A846 VanDerWaalsContact O-N 3.15Å; A843-Q847 WeakPolarHBondContact O-CB 3.3Å; A843-Q847 PolarHBondContact O-N 3.38Å
844Q92.3Very high92.4Very high91 Ų9148.5 Ų48.543%0.42524%0.241SC..Hα-helixtrans-60.8-39.5178.6-171.166.953.800112.4N840 N848N840-Q844 PolarHBondContact O-N 2.8Å; Q844-N848 PolarHBondContact NE2-OD1 3.29Å; Q844-N848 VanDerWaalsContact NE2-OD1 3.07Å; Q844-N848 WeakPolarHBondContact O-CB 3.39Å; Q844-N848 PolarHBondContact O-N 3.41Å; Q844-N848 PolarHBondContact O-OD1 3.09Å
845R92.2Very high92.3Very high116 Ų11643.8 Ų43.844%0.43822%0.219SC..Hα-helixtrans-65.5-43.3176.1-75.4-169.6-54.2-94.92.2111.7N429 R841 A842 A843 N848 L849N429-R845 WeakPolarHBondContact OD1-CB 3.45Å; N429-R845 PolarHBondContact OD1-NE 3.44Å; R841-R845 WeakPolarHBondContact O-CG 3.43Å; R841-R845 PolarHBondContact O-N 3.08Å; R841-R845 PolarHBondContact O-NH1 3.26Å; A842-R845 PolarHBondContact O-N 3.46Å; A843-R845 VanDerWaalsContact C-N 3.3Å; A843-R845 PolarHBondContact O-N 2.91Å; R845-N848 PolarHBondContact O-N 2.96Å; R845-L849 WeakPolarHBondContact O-CB 3.12Å; R845-L849 VanDerWaalsContact O-CG 3.27Å; R845-L849 WeakPolarHBondContact O-CG 3.44Å; R845-L849 PolarHBondContact O-N 3.21Å
846A94.1Very high92.2Very high0 Ų041.4 Ų41.40%021%0.208CC..Hα-helixtrans-63.9-43.2177.900000111.6V425 N429 I431 L530 A842 A843 L849 S850V425-A846 HydrophobicContact CG1-CB 4Å; N429-A846 HydrophobicContact CB-CB 4.43Å; I431-A846 HydrophobicContact CD1-CB 3.57Å; L530-A846 HydrophobicContact CD2-CB 4.38Å; A842-A846 WeakPolarHBondContact O-CB 3.49Å; A842-A846 PolarHBondContact O-N 3.09Å; A843-A846 PolarHBondContact O-N 3.15Å; A843-A846 VanDerWaalsContact O-N 3.15Å; A846-L849 PolarHBondContact O-N 3.26Å; A846-S850 WeakPolarHBondContact O-CB 3.41Å; A846-S850 PolarHBondContact O-N 3.06Å
847Q92.4Very high91.9Very high73 Ų7343 Ų4334%0.34122%0.217SC..Hα-helixtrans-58.5-50.4174.9-174.5176.54.600111.3Y529 A843 L849 S850 T851Y529-Q847 WeakPolarHBondContact O-CB 3.42Å; Y529-Q847 WeakPolarHBondContact O-CG 3.44Å; A843-Q847 WeakPolarHBondContact O-CB 3.3Å; A843-Q847 PolarHBondContact O-N 3.38Å; Q847-L849 VanDerWaalsContact C-N 3.32Å; Q847-L849 PolarHBondContact O-N 3.07Å; Q847-S850 WeakPolarHBondContact O-CB 3.38Å; Q847-S850 PolarHBondContact O-N 2.84Å; Q847-S850 VanDerWaalsContact O-N 3.16Å; Q847-T851 PolarHBondContact O-N 3.38Å; Q847-T851 PolarHBondContact O-OG1 3.12Å; Q847-T851 VanDerWaalsContact O-OG1 3.14Å
848N89.7Confident91.6Very high95 Ų9542.5 Ų42.551%0.50821%0.214SC..Hα-helixtrans-62-38.8179.4-67.2-4.6000112.6Q844 R845 G852Q844-N848 PolarHBondContact NE2-OD1 3.29Å; Q844-N848 VanDerWaalsContact NE2-OD1 3.07Å; Q844-N848 WeakPolarHBondContact O-CB 3.39Å; Q844-N848 PolarHBondContact O-N 3.41Å; Q844-N848 PolarHBondContact O-OD1 3.09Å; R845-N848 PolarHBondContact O-N 2.96Å; N848-G852 PolarHBondContact O-N 3.48Å
849L91.7Very high91.4Very high61 Ų6139.8 Ų39.832%0.31920%0.195SC..Hα-helixtrans-68.6-37.9176-72.7171000111.9W368 V425 N429 R845 A846 Q847 G852 L853W368-L849 HydrophobicContact CH2-CD1 4.13Å; W368-L849 HydrophobicContact CH2-CD2 4.11Å; V425-L849 HydrophobicContact CG1-CB 3.82Å; V425-L849 HydrophobicContact CG1-CD1 4.27Å; V425-L849 HydrophobicContact CG2-CB 4.09Å; N429-L849 WeakPolarHBondContact ND2-CD1 3.44Å; R845-L849 WeakPolarHBondContact O-CB 3.12Å; R845-L849 VanDerWaalsContact O-CG 3.27Å; R845-L849 WeakPolarHBondContact O-CG 3.44Å; R845-L849 PolarHBondContact O-N 3.21Å; A846-L849 PolarHBondContact O-N 3.26Å; Q847-L849 VanDerWaalsContact C-N 3.32Å; Q847-L849 PolarHBondContact O-N 3.07Å; L849-G852 PolarHBondContact O-N 3.41Å; L849-L853 PolarHBondContact O-N 3.22Å
850S92.6Very high91.1Very high2 Ų241.6 Ų41.61%0.01420%0.204CC..Hα-helixtrans-64.9-46.3174.2177.50000111.1A531 A846 Q847 G852 L853 F854A531-S850 PolarHBondContact N-OG 2.9Å; A846-S850 WeakPolarHBondContact O-CB 3.41Å; A846-S850 PolarHBondContact O-N 3.06Å; Q847-S850 WeakPolarHBondContact O-CB 3.38Å; Q847-S850 PolarHBondContact O-N 2.84Å; Q847-S850 VanDerWaalsContact O-N 3.16Å; S850-G852 VanDerWaalsContact C-N 3.29Å; S850-G852 PolarHBondContact O-N 2.83Å; S850-L853 WeakPolarHBondContact O-CB 3.28Å; S850-L853 PolarHBondContact O-N 2.92Å; S850-L853 VanDerWaalsContact O-N 3.12Å; S850-F854 VanDerWaalsContact O-CD2 3.29Å; S850-F854 WeakPolarHBondContact O-CD2 3.39Å; S850-F854 PolarHBondContact O-N 3.38Å
851T89.9Confident90.5Very high42 Ų4246.2 Ų46.226%0.25822%0.224SC..Hα-helixtrans-57-44.1173.7-55.30000111.4Q847 L853 F854 Q855Q847-T851 PolarHBondContact O-N 3.38Å; Q847-T851 PolarHBondContact O-OG1 3.12Å; Q847-T851 VanDerWaalsContact O-OG1 3.14Å; T851-L853 PolarHBondContact O-N 3.13Å; T851-F854 PolarHBondContact O-N 2.96Å; T851-Q855 WeakPolarHBondContact O-CG 3.41Å; T851-Q855 PolarHBondContact O-N 3.49Å
852G90.2Very high90.1Very high24 Ų2443 Ų4325%0.24721%0.212CC..Hα-helixtrans-61.9-39.8175.500000113.6N848 L849 S850 Q855 C856N848-G852 PolarHBondContact O-N 3.48Å; L849-G852 PolarHBondContact O-N 3.41Å; S850-G852 VanDerWaalsContact C-N 3.29Å; S850-G852 PolarHBondContact O-N 2.83Å; G852-Q855 PolarHBondContact O-N 3.48Å; G852-C856 PolarHBondContact O-N 2.98Å; G852-C856 PolarHBondContact O-SG 3.26Å; G852-C856 VanDerWaalsContact O-SG 3.38Å
853L90.8Very high89.7Confident25 Ų2546.6 Ų46.613%0.13123%0.23CC..Hα-helixtrans-60.8-46.3174.5175.564.6000111.3L418 E421 V422 L849 S850 T851 C856 L857L418-L853 HydrophobicContact CD1-CD2 4.25Å; E421-L853 HydrophobicContact CB-CD1 4.15Å; E421-L853 HydrophobicContact CB-CD2 3.83Å; V422-L853 HydrophobicContact CG2-CD2 4.27Å; L849-L853 PolarHBondContact O-N 3.22Å; S850-L853 WeakPolarHBondContact O-CB 3.28Å; S850-L853 PolarHBondContact O-N 2.92Å; S850-L853 VanDerWaalsContact O-N 3.12Å; T851-L853 PolarHBondContact O-N 3.13Å; L853-C856 WeakPolarHBondContact O-CB 3.38Å; L853-C856 PolarHBondContact O-N 3.42Å; L853-L857 HydrophobicContact CD1-CD1 4.45Å; L853-L857 HydrophobicContact CD1-CG 4.45Å; L853-L857 HydrophobicContact CG-CD1 4.21Å; L853-L857 WeakPolarHBondContact O-CG 3.38Å; L853-L857 PolarHBondContact O-N 2.63Å
854F89.5Confident89.3Confident4 Ų447.6 Ų47.62%0.01824%0.236CC..Hα-helixtrans-68.4-35.4179.2-83.5-106.3000112.3L418 A531 D532 A654 L656 I662 S850 T851 L857 F858L418-F854 HydrophobicContact CD1-CE2 3.94Å; L418-F854 HydrophobicContact CD1-CZ 3.86Å; L418-F854 HydrophobicContact CD2-CZ 4.44Å; A531-F854 HydrophobicContact CB-CB 4.17Å; A531-F854 HydrophobicContact CB-CD1 4.07Å; A531-F854 HydrophobicContact CB-CD2 3.46Å; A531-F854 VanDerWaalsContact CB-CD2 3.46Å; A531-F854 HydrophobicContact CB-CE1 4.39Å; A531-F854 HydrophobicContact CB-CE2 3.81Å; A531-F854 HydrophobicContact CB-CG 3.61Å; A531-F854 HydrophobicContact CB-CZ 4.28Å; D532-F854 HydrophobicContact CB-CE1 3.91Å; D532-F854 HydrophobicContact CB-CE2 4.39Å; D532-F854 HydrophobicContact CB-CZ 3.47Å; D532-F854 VanDerWaalsContact CB-CZ 3.47Å; A654-F854 HydrophobicContact CB-CB 4.36Å; A654-F854 HydrophobicContact CB-CD1 4.15Å; L656-F854 HydrophobicContact CD1-CE1 4.27Å; L656-F854 HydrophobicContact CD2-CD1 4.2Å; L656-F854 HydrophobicContact CD2-CE1 3.93Å; I662-F854 HydrophobicContact CD1-CB 4.13Å; I662-F854 HydrophobicContact CD1-CD1 3.6Å; I662-F854 HydrophobicContact CD1-CE1 4.38Å; I662-F854 HydrophobicContact CD1-CG 4.21Å; I662-F854 VanDerWaalsContact CD1-O 3.28Å; I662-F854 WeakPolarHBondContact CD1-O 3.32Å; I662-F854 HydrophobicContact CG1-CD1 4.01Å; S850-F854 VanDerWaalsContact O-CD2 3.29Å; S850-F854 WeakPolarHBondContact O-CD2 3.39Å; S850-F854 PolarHBondContact O-N 3.38Å; T851-F854 PolarHBondContact O-N 2.96Å; F854-L857 PolarHBondContact O-N 2.93Å; F854-F858 WeakPolarHBondContact O-CB 3.1Å; F854-F858 PolarHBondContact O-N 3.22Å
855Q90.1Very high88.8Confident25 Ų2549.1 Ų49.112%0.11724%0.243CC..Hα-helixtrans-60-45.6169.7-73.4172.3-2600111L665 T851 G852 F858 F859 Y891 L962L665-Q855 HydrophobicContact CD1-CG 4.1Å; T851-Q855 WeakPolarHBondContact O-CG 3.41Å; T851-Q855 PolarHBondContact O-N 3.49Å; G852-Q855 PolarHBondContact O-N 3.48Å; Q855-F858 PolarHBondContact O-N 3.46Å; Q855-F859 WeakPolarHBondContact O-CD2 3Å; Q855-F859 PolarHBondContact O-N 3.42Å; Q855-Y891 PolarHBondContact NE2-O 3.5Å; Q855-L962 HydrophobicContact CB-CD1 4.17Å
856C90.6Very high88.3Confident6 Ų648.6 Ų48.64%0.04125%0.253CS..Hα-helixtrans-61.8-46.2175.4-71.60000112.3G852 L853 F858 F859 K860 V952 D960G852-C856 PolarHBondContact O-N 2.98Å; G852-C856 PolarHBondContact O-SG 3.26Å; G852-C856 VanDerWaalsContact O-SG 3.38Å; L853-C856 WeakPolarHBondContact O-CB 3.38Å; L853-C856 PolarHBondContact O-N 3.42Å; C856-F858 VanDerWaalsContact C-N 3.31Å; C856-F858 PolarHBondContact O-N 2.91Å; C856-F859 PolarHBondContact O-N 2.99Å; C856-K860 VanDerWaalsContact O-CB 3.29Å; C856-K860 WeakPolarHBondContact O-CB 3.47Å; C856-K860 PolarHBondContact O-N 2.94Å; C856-V952 HydrophobicContact CB-CG1 4.47Å; C856-V952 WeakPolarHBondContact O-CG2 3.41Å; C856-D960 HydrophobicContact CB-CB 4.22Å; C856-D960 PolarHBondContact SG-O 2.77Å
857L88.8Confident87.9Confident39 Ų3950.3 Ų50.320%0.20426%0.262CS..Hα-helixtrans-60.1-41178.5-71.7172000112L418 I662 L853 F854 F859 K860L418-L857 HydrophobicContact CD1-CD1 3.76Å; I662-L857 HydrophobicContact CD1-CB 3.71Å; L853-L857 HydrophobicContact CD1-CD1 4.45Å; L853-L857 HydrophobicContact CD1-CG 4.45Å; L853-L857 HydrophobicContact CG-CD1 4.21Å; L853-L857 WeakPolarHBondContact O-CG 3.38Å; L853-L857 PolarHBondContact O-N 2.63Å; F854-L857 PolarHBondContact O-N 2.93Å; L857-F859 VanDerWaalsContact C-N 3.35Å; L857-F859 PolarHBondContact O-N 3.36Å; L857-K860 PolarHBondContact O-N 3.29Å
858F88.3Confident87.4Confident4 Ų451.5 Ų51.52%0.01828%0.276CS..Hα-helixtrans-58.3-44.1176.5-179.6-102.1000112.3I662 L665 F854 Q855 C856 R862 Y891I662-F858 HydrophobicContact CB-CD2 4.23Å; I662-F858 HydrophobicContact CD1-CB 4.38Å; I662-F858 HydrophobicContact CG2-CB 4.2Å; I662-F858 HydrophobicContact CG2-CD2 3.65Å; I662-F858 HydrophobicContact CG2-CG 4.34Å; L665-F858 HydrophobicContact CD1-CB 4.15Å; L665-F858 HydrophobicContact CD1-CD1 3.71Å; L665-F858 HydrophobicContact CD1-CE1 4.28Å; L665-F858 HydrophobicContact CD1-CG 3.96Å; L665-F858 HydrophobicContact CG-CB 4.42Å; L665-F858 HydrophobicContact CG-CD1 4.17Å; L665-F858 HydrophobicContact CG-CD2 4.39Å; L665-F858 HydrophobicContact CG-CG 4.08Å; F854-F858 WeakPolarHBondContact O-CB 3.1Å; F854-F858 PolarHBondContact O-N 3.22Å; Q855-F858 PolarHBondContact O-N 3.46Å; C856-F858 VanDerWaalsContact C-N 3.31Å; C856-F858 PolarHBondContact O-N 2.91Å; F858-R862 VanDerWaalsContact CD2-NH1 3.31Å; F858-R862 VanDerWaalsContact CE2-CZ 3.42Å; F858-R862 WeakPolarHBondContact O-CD 3.42Å; F858-R862 PolarHBondContact O-NH1 2.89Å; F858-Y891 HydrophobicContact CE1-CE1 4.01Å
859F90.3Very high87.2Confident2 Ų252.8 Ų52.81%0.00927%0.274CS..Hα-helixtrans-82.3-18.1179.1-68.7-69.6000113.8L665 Q855 C856 L857 E861 R862 Y891 I950 V952 L962L665-F859 HydrophobicContact CD1-CE2 4.4Å; Q855-F859 WeakPolarHBondContact O-CD2 3Å; Q855-F859 PolarHBondContact O-N 3.42Å; C856-F859 PolarHBondContact O-N 2.99Å; L857-F859 VanDerWaalsContact C-N 3.35Å; L857-F859 PolarHBondContact O-N 3.36Å; F859-E861 PolarHBondContact O-N 3.12Å; F859-R862 PolarHBondContact O-N 2.86Å; F859-Y891 HydrophobicContact CE1-CE2 4.48Å; F859-Y891 HydrophobicContact CE2-CG 4.44Å; F859-Y891 HydrophobicContact CZ-CD1 4.01Å; F859-Y891 AromaticContact CZ-CD2 3.84Å; F859-Y891 HydrophobicContact CZ-CD2 3.84Å; F859-Y891 HydrophobicContact CZ-CE1 4.16Å; F859-Y891 HydrophobicContact CZ-CE2 4.03Å; F859-Y891 AromaticContact CZ-CG 3.85Å; F859-Y891 HydrophobicContact CZ-CG 3.85Å; F859-I950 HydrophobicContact CD1-CB 4.3Å; F859-I950 HydrophobicContact CD1-CG2 4Å; F859-I950 HydrophobicContact CD2-CG2 3.83Å; F859-I950 HydrophobicContact CE1-CB 4.21Å; F859-I950 HydrophobicContact CE1-CD1 3.9Å; F859-I950 HydrophobicContact CE1-CG2 4.11Å; F859-I950 HydrophobicContact CE2-CD1 4.26Å; F859-I950 HydrophobicContact CE2-CG2 3.95Å; F859-I950 HydrophobicContact CG-CG2 3.88Å; F859-I950 HydrophobicContact CZ-CB 4.48Å; F859-I950 HydrophobicContact CZ-CD1 3.61Å; F859-I950 HydrophobicContact CZ-CG2 4.09Å; F859-V952 HydrophobicContact CB-CG2 3.62Å; F859-L962 HydrophobicContact CB-CD2 4.15Å; F859-L962 HydrophobicContact CD2-CD1 4.04Å; F859-L962 HydrophobicContact CD2-CD2 3.76Å; F859-L962 HydrophobicContact CE2-CD1 4.2Å; F859-L962 HydrophobicContact CG-CD2 4.31Å
860K86.8Confident87Confident90 Ų9049.9 Ų49.939%0.39126%0.259SS..Hα-helixtrans-70.5-32.1-175.9-169.9171.2-173167.60113.2C856 L857 R862 V952 D960C856-K860 VanDerWaalsContact O-CB 3.29Å; C856-K860 WeakPolarHBondContact O-CB 3.47Å; C856-K860 PolarHBondContact O-N 2.94Å; L857-K860 PolarHBondContact O-N 3.29Å; K860-R862 PolarHBondContact O-N 3.31Å; K860-V952 HydrophobicContact CB-CG2 4.13Å; K860-D960 IonicContact NZ-OD2 2.94Å; K860-D960 PolarHBondContact NZ-OD2 3.48Å
861E80.9Confident86.9Confident144 Ų14451 Ų5167%0.67327%0.266SS*.THydrogen-bonded Turntrans-82.1-3.7178.7-64.7179.7172.200113.2F859F859-E861 PolarHBondContact O-N 3.12Å
862R85.3Confident86.9Confident44 Ų4449 Ų4917%0.16625%0.253CS..SBendtrans-111.4144.4-173.7-66.5174.3165.773.75.2110.3F858 F859 K860 P864 D867F858-R862 VanDerWaalsContact CD2-NH1 3.31Å; F858-R862 VanDerWaalsContact CE2-CZ 3.42Å; F858-R862 WeakPolarHBondContact O-CD 3.42Å; F858-R862 PolarHBondContact O-NH1 2.89Å; F859-R862 PolarHBondContact O-N 2.86Å; K860-R862 PolarHBondContact O-N 3.31Å; R862-P864 WeakPolarHBondContact O-CD 3.47Å; R862-D867 HydrophobicContact CB-CB 4.3Å; R862-D867 VanDerWaalsContact CD-OD2 3.24Å; R862-D867 WeakPolarHBondContact CD-OD2 3.5Å; R862-D867 VanDerWaalsContact CG-OD2 3.3Å; R862-D867 WeakPolarHBondContact CG-OD2 3.29Å; R862-D867 IonicContact NE-OD2 3.55Å; R862-D867 PolarHBondContact NE-OD2 3.28Å
863D84.8Confident86.9Confident79 Ų7949.5 Ų49.542%0.42225%0.25SS..  trans-82.4117.7173.7175.96.7000109.6E865 T866 D867D863-E865 PolarHBondContact O-N 3.45Å; D863-E865 VanDerWaalsContact O-N 3.17Å; D863-E865 PolarHBondContact OD1-N 2.75Å; D863-E865 VanDerWaalsContact OD1-N 3.09Å; D863-T866 VanDerWaalsContact CB-OG1 3.29Å; D863-T866 WeakPolarHBondContact CB-OG1 3.31Å; D863-T866 VanDerWaalsContact CG-OG1 3.24Å; D863-T866 PolarHBondContact O-N 3.01Å; D863-T866 WeakPolarHBondContact OD2-CG2 3.29Å; D863-T866 PolarHBondContact OD2-OG1 2.95Å; D863-D867 WeakPolarHBondContact O-CB 3.39Å; D863-D867 PolarHBondContact O-N 2.88Å
864P83.5Confident87Confident34 Ų3448.3 Ų48.322%0.22124%0.244CC..THydrogen-bonded Turntrans-60.7-22.3-178.4-2435.1000115.2R862 R949R862-P864 WeakPolarHBondContact O-CD 3.47Å; P864-R949 HydrophobicContact CB-CG 4.21Å; P864-R949 VanDerWaalsContact O-CD 3.31Å; P864-R949 WeakPolarHBondContact O-CD 3.1Å; P864-R949 PolarHBondContact O-NE 3.14Å
865E82Confident87.1Confident123 Ų12348.1 Ų48.158%0.57524%0.243SC*.THydrogen-bonded Turntrans-92.3-26.7-176.5-65.4-60145.800113.1D863 R949D863-E865 PolarHBondContact O-N 3.45Å; D863-E865 VanDerWaalsContact O-N 3.17Å; D863-E865 PolarHBondContact OD1-N 2.75Å; D863-E865 VanDerWaalsContact OD1-N 3.09Å; E865-R949 VanDerWaalsContact CD-CZ 3.48Å; E865-R949 WeakPolarHBondContact OE1-CD 3.33Å; E865-R949 IonicContact OE1-CZ 3.28Å; E865-R949 IonicContact OE1-NE 2.76Å; E865-R949 PolarHBondContact OE1-NE 3.23Å; E865-R949 IonicContact OE1-NH1 2.84Å; E865-R949 PolarHBondContact OE1-NH1 3.03Å; E865-R949 IonicContact OE1-NH2 3.86Å; E865-R949 IonicContact OE2-CZ 2.77Å; E865-R949 IonicContact OE2-NE 3.48Å; E865-R949 IonicContact OE2-NH1 2.77Å; E865-R949 IonicContact OE2-NH2 2.71Å; E865-R949 PolarHBondContact OE2-NH2 3.46Å
866T82.3Confident87.1Confident105 Ų10546.9 Ų46.964%0.64424%0.238SC*.THydrogen-bonded Turntrans-110.7-27.6-174.458.60000114.1D863 P868D863-T866 VanDerWaalsContact CB-OG1 3.29Å; D863-T866 WeakPolarHBondContact CB-OG1 3.31Å; D863-T866 VanDerWaalsContact CG-OG1 3.24Å; D863-T866 PolarHBondContact O-N 3.01Å; D863-T866 WeakPolarHBondContact OD2-CG2 3.29Å; D863-T866 PolarHBondContact OD2-OG1 2.95Å; T866-P868 WeakPolarHBondContact O-CD 3.5Å
867D84.6Confident87Confident36 Ų3648 Ų4819%0.19324%0.241CC..  trans-82.7119.5179.8-167.6-28.6000110.7R862 D863 R869 C870R862-D867 HydrophobicContact CB-CB 4.3Å; R862-D867 VanDerWaalsContact CD-OD2 3.24Å; R862-D867 WeakPolarHBondContact CD-OD2 3.5Å; R862-D867 VanDerWaalsContact CG-OD2 3.3Å; R862-D867 WeakPolarHBondContact CG-OD2 3.29Å; R862-D867 IonicContact NE-OD2 3.55Å; R862-D867 PolarHBondContact NE-OD2 3.28Å; D863-D867 WeakPolarHBondContact O-CB 3.39Å; D863-D867 PolarHBondContact O-N 2.88Å; D867-R869 PolarHBondContact O-N 2.97Å; D867-R869 VanDerWaalsContact O-N 3.17Å; D867-R869 VanDerWaalsContact OD1-CB 3.31Å; D867-R869 WeakPolarHBondContact OD1-CB 3.48Å; D867-R869 WeakPolarHBondContact OD1-CG 3.24Å; D867-R869 PolarHBondContact OD1-N 2.78Å; D867-C870 WeakPolarHBondContact O-CB 3.35Å; D867-C870 PolarHBondContact O-N 3.43Å; D867-C870 VanDerWaalsContact O-N 3.1Å
868P83.7Confident86.8Confident98 Ų9846.4 Ų46.464%0.63623%0.233SC*.G310 helixtrans-61.7-23.2178.226.1-35.4000113.4T866 C870 V871T866-P868 WeakPolarHBondContact O-CD 3.5Å; P868-C870 PolarHBondContact O-N 3.21Å; P868-V871 PolarHBondContact O-N 3.4Å; P868-V871 VanDerWaalsContact O-N 3.1Å
869R84.6Confident86.6Confident121 Ų12146.6 Ų46.646%0.45723%0.234SC..G310 helixtrans-71-17.9178-59.6178.2-173-169.32.9112.9D867 V871 Y891D867-R869 PolarHBondContact O-N 2.97Å; D867-R869 VanDerWaalsContact O-N 3.17Å; D867-R869 VanDerWaalsContact OD1-CB 3.31Å; D867-R869 WeakPolarHBondContact OD1-CB 3.48Å; D867-R869 WeakPolarHBondContact OD1-CG 3.24Å; D867-R869 PolarHBondContact OD1-N 2.78Å; R869-V871 PolarHBondContact O-N 3.16Å; R869-Y891 PolarHBondContact O-OH 3.16Å
870C87.6Confident86.4Confident0 Ų049.6 Ų49.60%025%0.246CC..G310 helixtrans-79.7-3.2173-650000112.2D867 P868 R949 I950D867-C870 WeakPolarHBondContact O-CB 3.35Å; D867-C870 PolarHBondContact O-N 3.43Å; D867-C870 VanDerWaalsContact O-N 3.1Å; P868-C870 PolarHBondContact O-N 3.21Å; C870-R949 CarbonylContact O-C 3.51Å; C870-R949 WeakPolarHBondContact O-CA 3.5Å; C870-I950 PolarHBondContact O-N 3.45Å
871V90.3Very high85.9Confident26 Ų2646.7 Ų46.716%0.15823%0.234CC..EExtended strand (participates in β ladder)trans-111.8127.4175.3-178.80000108.6P868 R869 T947 V948 I967P868-V871 PolarHBondContact O-N 3.4Å; P868-V871 VanDerWaalsContact O-N 3.1Å; R869-V871 PolarHBondContact O-N 3.16Å; V871-T947 HydrophobicContact CG1-CG2 3.36Å; V871-V948 WeakPolarHBondContact CA-O 3.34Å; V871-I967 HydrophobicContact CG1-CD1 3.66Å; V871-I967 HydrophobicContact CG2-CD1 4.09Å
872A90.1Very high86Confident0 Ų041.6 Ų41.60%021%0.212CC..EExtended strand (participates in β ladder)trans-141.6155.4-176.900000112.3I888 Y891 V948 I950A872-I888 HydrophobicContact CB-CG2 3.64Å; A872-Y891 HydrophobicContact CB-CD2 4.35Å; A872-Y891 HydrophobicContact CB-CE2 4.15Å; A872-V948 PolarHBondContact N-O 3.45Å; A872-V948 PolarHBondContact O-N 3.19Å; A872-I950 HydrophobicContact CB-CD1 4.14Å
873D91.2Very high86.1Confident34 Ų3439.5 Ų39.518%0.18220%0.204CC..EExtended strand (participates in β ladder)trans-76.2132.3167.8-17265000110.4H945 P971 H972D873-H945 IonicContact OD1-ND1 3.97Å; D873-H945 IonicContact OD2-CE1 3.15Å; D873-H945 IonicContact OD2-CG 3.51Å; D873-H945 IonicContact OD2-ND1 3.9Å; D873-H945 PolarHBondContact OD2-ND1 3.04Å; D873-P971 VanDerWaalsContact OD1-CA 3.26Å; D873-P971 WeakPolarHBondContact OD1-CA 3.11Å; D873-P971 WeakPolarHBondContact OD1-CB 3.44Å; D873-H972 HydrophobicContact CB-CB 4Å; D873-H972 PolarHBondContact OD1-N 3.1Å; D873-H972 VanDerWaalsContact OD1-N 3.17Å
874A92Very high86.3Confident0 Ų035.8 Ų35.80%018%0.184CC..EExtended strand (participates in β ladder)trans-135.3139.9-177.400000111.4V886 F887 I888 H945 I946 V948A874-V886 HydrophobicContact CB-CB 3.96Å; A874-V886 HydrophobicContact CB-CG2 4.01Å; A874-F887 WeakPolarHBondContact CA-O 3.29Å; A874-I888 HydrophobicContact CB-CG1 3.86Å; A874-H945 WeakPolarHBondContact O-CA 3.48Å; A874-I946 HydrophobicContact CB-CG1 4.31Å; A874-I946 PolarHBondContact N-O 3.13Å; A874-I946 PolarHBondContact O-N 2.92Å; A874-V948 HydrophobicContact CB-CB 4.45Å; A874-V948 HydrophobicContact CB-CG1 3.86Å; A874-V948 HydrophobicContact CB-CG2 3.72Å
875I91.1Very high86.5Confident0 Ų035.2 Ų35.20%018%0.179CC..EExtended strand (participates in β ladder)trans-106.2132.1-179.2-57.3166.5000110L749 L753 Y877 V886 F887 P889 F943 H945L749-I875 HydrophobicContact CB-CD1 3.42Å; L749-I875 VanDerWaalsContact CB-CD1 3.42Å; L749-I875 HydrophobicContact CD1-CD1 3.46Å; L749-I875 VanDerWaalsContact CD1-CD1 3.46Å; L749-I875 HydrophobicContact CG-CD1 4.05Å; L753-I875 HydrophobicContact CD1-CB 3.98Å; L753-I875 HydrophobicContact CD1-CD1 4.34Å; L753-I875 HydrophobicContact CD1-CG2 3.47Å; L753-I875 VanDerWaalsContact CD1-CG2 3.47Å; I875-Y877 PolarHBondContact O-N 3.42Å; I875-V886 CarbonylContact O-C 3.54Å; I875-V886 VanDerWaalsContact O-CA 3.24Å; I875-V886 WeakPolarHBondContact O-CA 3.33Å; I875-F887 PolarHBondContact N-O 2.9Å; I875-F887 PolarHBondContact O-N 2.87Å; I875-P889 HydrophobicContact CD1-CG 4.45Å; I875-F943 HydrophobicContact CG2-CD1 4.5Å; I875-H945 VanDerWaalsContact CD1-CE1 3.49Å; I875-H945 WeakPolarHBondContact CD1-CE1 3.33Å; I875-H945 VanDerWaalsContact CG1-CE1 3.45Å; I875-H945 WeakPolarHBondContact CG1-CE1 3.49Å
876I90.6Very high87Confident0 Ų029.3 Ų29.30%015%0.152CC..EExtended strand (participates in β ladder)trans-75.5113.4176.2-61.1174.5000109.7I879 V884 V886 F940 L942 F943 D944 I946I876-I879 HydrophobicContact CG2-CD1 3.72Å; I876-V884 HydrophobicContact CD1-CB 4.46Å; I876-V884 HydrophobicContact CD1-CG1 4.35Å; I876-V884 HydrophobicContact CD1-CG2 4.19Å; I876-V884 HydrophobicContact CG1-CB 4.4Å; I876-V884 HydrophobicContact CG1-CG2 4.11Å; I876-V884 HydrophobicContact CG2-CB 3.94Å; I876-V884 HydrophobicContact CG2-CG1 4.2Å; I876-V886 HydrophobicContact CG1-CG1 4.04Å; I876-F940 HydrophobicContact CD1-CB 3.82Å; I876-F940 HydrophobicContact CD1-CD1 4.39Å; I876-L942 HydrophobicContact CG2-CD2 4.43Å; I876-F943 WeakPolarHBondContact O-CA 3.15Å; I876-F943 PolarHBondContact O-N 3.22Å; I876-D944 HydrophobicContact CD1-CB 4.31Å; I876-D944 PolarHBondContact N-O 2.95Å; I876-D944 VanDerWaalsContact N-O 3.11Å; I876-I946 HydrophobicContact CD1-CD1 4.36Å; I876-I946 HydrophobicContact CD1-CG2 4.04Å; I876-I946 HydrophobicContact CG1-CD1 4.26Å; I876-I946 HydrophobicContact CG1-CG1 4.47Å
877Y87.4Confident87.4Confident28 Ų2824.6 Ų24.611%0.1112%0.122CC..EExtended strand (participates in β ladder)trans-106.2-12.7178.174.7-89.3000113.4I875 L885 V886 F887I875-Y877 PolarHBondContact O-N 3.42Å; Y877-L885 HydrophobicContact CD1-CB 4.22Å; Y877-L885 VanDerWaalsContact CD1-O 3.27Å; Y877-L885 WeakPolarHBondContact CD1-O 3.45Å; Y877-L885 HydrophobicContact CE1-CB 3.54Å; Y877-L885 HydrophobicContact CE2-CB 4.13Å; Y877-L885 HydrophobicContact CE2-CD1 4.25Å; Y877-L885 VanDerWaalsContact CZ-CB 3.49Å; Y877-L885 PolarHBondContact N-O 2.95Å; Y877-V886 WeakPolarHBondContact CE1-O 3.43Å; Y877-F887 HydrophobicContact CD1-CB 4.13Å
878S85.1Confident87.7Confident6 Ų622.9 Ų22.94%0.04211%0.113CC..EExtended strand (participates in β ladder)trans-155.5141.8177.4-169.20000113.1Q715 R880 L885Q715-S878 PolarHBondContact NE2-OG 3.43Å; S878-R880 PolarHBondContact OG-NH1 3.11Å; S878-L885 PolarHBondContact N-O 2.77Å; S878-L885 PolarHBondContact O-N 3.32Å
879I85.1Confident87.7Confident9 Ų919.4 Ų19.45%0.0469%0.09CC..EExtended strand (participates in β ladder)trans-96.4144.7175.1-51.8-58.6000111.1I876 V884 R924 I929 L942I876-I879 HydrophobicContact CG2-CD1 3.72Å; I879-V884 HydrophobicContact CD1-CB 4.5Å; I879-V884 HydrophobicContact CD1-CG1 3.72Å; I879-R924 HydrophobicContact CG2-CG 4.17Å; I879-I929 HydrophobicContact CG2-CB 4Å; I879-L942 HydrophobicContact CD1-CD2 4.22Å; I879-L942 HydrophobicContact CD1-CG 4.45Å; I879-L942 HydrophobicContact CG1-CD2 3.86Å; I879-L942 HydrophobicContact CG1-CG 4Å
880R84.9Confident87.7Confident64 Ų6418.4 Ų18.424%0.2429%0.091CC..  trans-131.3173.6174.8-62.7-76.1-179.6-90.50.7109.5T308 L310 S878 N882 G883 L885T308-R880 WeakPolarHBondContact O-CD 3.35Å; L310-R880 HydrophobicContact CD1-CB 4.01Å; L310-R880 HydrophobicContact CD1-CG 4.29Å; L310-R880 HydrophobicContact CD2-CB 4.22Å; L310-R880 HydrophobicContact CD2-CG 3.81Å; L310-R880 HydrophobicContact CG-CB 3.76Å; L310-R880 HydrophobicContact CG-CG 3.94Å; S878-R880 PolarHBondContact OG-NH1 3.11Å; R880-N882 PolarHBondContact O-N 2.9Å; R880-G883 CarbonylContact C-O 3.52Å; R880-G883 WeakPolarHBondContact CA-O 3.14Å; R880-G883 WeakPolarHBondContact CB-O 3.44Å; R880-G883 PolarHBondContact N-O 3.35Å; R880-G883 VanDerWaalsContact O-O 3.1Å; R880-L885 HydrophobicContact CG-CG 4.28Å; R880-L885 VanDerWaalsContact NH2-CD1 3.31Å
881D77.9Confident87.7Confident29 Ų2918.8 Ų18.816%0.1559%0.092CC..SBendtrans-66.4-36-171.9-59-33.8000113.7T308 A309 R924T308-D881 WeakPolarHBondContact CA-OD2 3.36Å; T308-D881 VanDerWaalsContact CB-OD2 3.22Å; T308-D881 WeakPolarHBondContact CB-OD2 3.25Å; T308-D881 VanDerWaalsContact OG1-CG 3.24Å; T308-D881 PolarHBondContact OG1-OD1 2.84Å; T308-D881 PolarHBondContact OG1-OD2 3.14Å; A309-D881 HydrophobicContact CB-CB 4.05Å; A309-D881 PolarHBondContact N-OD2 3.05Å; D881-R924 WeakPolarHBondContact OD1-CD 3.02Å; D881-R924 IonicContact OD1-CZ 3.38Å; D881-R924 IonicContact OD1-NE 3.99Å; D881-R924 IonicContact OD1-NH1 2.68Å; D881-R924 PolarHBondContact OD1-NH1 2.95Å
882N81.4Confident87.5Confident38 Ų3818.4 Ų18.420%0.2039%0.094CC..SBendtrans-119.911.8-175.960.9-21.1000113.3L310 R880 M899L310-N882 WeakPolarHBondContact CA-OD1 3.19Å; L310-N882 WeakPolarHBondContact CB-OD1 3.46Å; L310-N882 PolarHBondContact N-OD1 3.15Å; L310-N882 PolarHBondContact O-ND2 3Å; R880-N882 PolarHBondContact O-N 2.9Å; N882-M899 PolarHBondContact O-N 3.36Å
883G86.9Confident87.4Confident0 Ų018.7 Ų18.70%010%0.095CC..EExtended strand (participates in β ladder)trans179-168.2-177.900000114.2R880 V897R880-G883 CarbonylContact C-O 3.52Å; R880-G883 WeakPolarHBondContact CA-O 3.14Å; R880-G883 WeakPolarHBondContact CB-O 3.44Å; R880-G883 PolarHBondContact N-O 3.35Å; R880-G883 VanDerWaalsContact O-O 3.1Å; G883-V897 WeakPolarHBondContact CA-O 3.36Å
884V89.3Confident87.2Confident0 Ų021.2 Ų21.20%011%0.105CC..EExtended strand (participates in β ladder)trans-129153.3-179-58.30000110.2I876 I879 V886 V897 M899 I929I876-V884 HydrophobicContact CD1-CB 4.46Å; I876-V884 HydrophobicContact CD1-CG1 4.35Å; I876-V884 HydrophobicContact CD1-CG2 4.19Å; I876-V884 HydrophobicContact CG1-CB 4.4Å; I876-V884 HydrophobicContact CG1-CG2 4.11Å; I876-V884 HydrophobicContact CG2-CB 3.94Å; I876-V884 HydrophobicContact CG2-CG1 4.2Å; I879-V884 HydrophobicContact CD1-CB 4.5Å; I879-V884 HydrophobicContact CD1-CG1 3.72Å; V884-V886 HydrophobicContact CG2-CG1 3.84Å; V884-V897 HydrophobicContact CG2-CB 3.9Å; V884-V897 HydrophobicContact CG2-CG1 4.39Å; V884-V897 PolarHBondContact N-O 3.28Å; V884-V897 PolarHBondContact O-N 3.45Å; V884-M899 HydrophobicContact CB-CE 4.4Å; V884-M899 HydrophobicContact CG1-CE 3.87Å; V884-M899 HydrophobicContact CG2-CE 3.62Å; V884-I929 HydrophobicContact CG1-CG2 3.58Å
885L89.3Confident87Confident22 Ų2221.6 Ų21.612%0.11511%0.109CC..EExtended strand (participates in β ladder)trans-99.9130168.1-58.9-177.9000108.7L310 Y877 S878 R880 P896L310-L885 HydrophobicContact CD2-CD2 3.94Å; Y877-L885 HydrophobicContact CD1-CB 4.22Å; Y877-L885 VanDerWaalsContact CD1-O 3.27Å; Y877-L885 WeakPolarHBondContact CD1-O 3.45Å; Y877-L885 HydrophobicContact CE1-CB 3.54Å; Y877-L885 HydrophobicContact CE2-CB 4.13Å; Y877-L885 HydrophobicContact CE2-CD1 4.25Å; Y877-L885 VanDerWaalsContact CZ-CB 3.49Å; Y877-L885 PolarHBondContact N-O 2.95Å; S878-L885 PolarHBondContact N-O 2.77Å; S878-L885 PolarHBondContact O-N 3.32Å; R880-L885 HydrophobicContact CG-CG 4.28Å; R880-L885 VanDerWaalsContact NH2-CD1 3.31Å; L885-P896 HydrophobicContact CD2-CB 3.87Å
886V91.5Very high86.9Confident0 Ų023.6 Ų23.60%012%0.122CC..EExtended strand (participates in β ladder)trans-119.6153.7-177.5-53.30000111.8A874 I875 I876 Y877 V884 K894 G895 V897 I946 L964A874-V886 HydrophobicContact CB-CB 3.96Å; A874-V886 HydrophobicContact CB-CG2 4.01Å; I875-V886 CarbonylContact O-C 3.54Å; I875-V886 VanDerWaalsContact O-CA 3.24Å; I875-V886 WeakPolarHBondContact O-CA 3.33Å; I876-V886 HydrophobicContact CG1-CG1 4.04Å; Y877-V886 WeakPolarHBondContact CE1-O 3.43Å; V884-V886 HydrophobicContact CG2-CG1 3.84Å; V886-K894 WeakPolarHBondContact O-CA 3.42Å; V886-G895 PolarHBondContact N-O 2.78Å; V886-G895 PolarHBondContact O-N 2.81Å; V886-G895 VanDerWaalsContact O-N 3.15Å; V886-V897 HydrophobicContact CB-CG2 4.37Å; V886-V897 HydrophobicContact CG1-CB 4.32Å; V886-V897 HydrophobicContact CG1-CG2 3.82Å; V886-V897 HydrophobicContact CG2-CG2 3.59Å; V886-I946 HydrophobicContact CG1-CD1 3.94Å; V886-I946 HydrophobicContact CG1-CG1 4.5Å; V886-L964 HydrophobicContact CG2-CD1 3.47Å; V886-L964 VanDerWaalsContact CG2-CD1 3.47Å
887F90.4Very high86.8Confident5 Ų523.6 Ų23.62%0.02212%0.122CC..EExtended strand (participates in β ladder)trans-118.6131.1171.7176.1-115.8000109.4V650 L753 M756 A874 I875 Y877 P889 V893 K894V650-F887 HydrophobicContact CB-CZ 3.9Å; V650-F887 HydrophobicContact CG2-CE1 4.13Å; V650-F887 HydrophobicContact CG2-CZ 3.7Å; L753-F887 HydrophobicContact CD2-CB 3.78Å; L753-F887 HydrophobicContact CD2-CD1 3.59Å; L753-F887 HydrophobicContact CD2-CE1 4.49Å; L753-F887 HydrophobicContact CD2-CG 3.89Å; M756-F887 HydrophobicContact CE-CD1 4.26Å; M756-F887 HydrophobicContact CE-CD2 4.43Å; M756-F887 HydrophobicContact CE-CE1 3.82Å; M756-F887 HydrophobicContact CE-CE2 4.01Å; M756-F887 HydrophobicContact CE-CZ 3.7Å; M756-F887 HydrophobicContact SD-CD2 4.5Å; M756-F887 HydrophobicContact SD-CE2 4.42Å; A874-F887 WeakPolarHBondContact CA-O 3.29Å; I875-F887 PolarHBondContact N-O 2.9Å; I875-F887 PolarHBondContact O-N 2.87Å; Y877-F887 HydrophobicContact CD1-CB 4.13Å; F887-P889 HydrophobicContact CD1-CG 4.08Å; F887-P889 HydrophobicContact CE1-CB 4Å; F887-P889 HydrophobicContact CE1-CG 3.95Å; F887-P889 WeakPolarHBondContact O-CD 3.14Å; F887-V893 WeakPolarHBondContact CD2-O 3.42Å; F887-K894 HydrophobicContact CD2-CG 3.68Å; F887-K894 HydrophobicContact CE2-CG 4.39Å
888I90.6Very high86.9Confident0 Ų023.9 Ų23.90%012%0.123CC..EExtended strand (participates in β ladder)trans-106.4103.7177.5-55.1177.2000107.5A872 A874 E890 Y891 G892 V893 V948 I950 L964A872-I888 HydrophobicContact CB-CG2 3.64Å; A874-I888 HydrophobicContact CB-CG1 3.86Å; I888-E890 PolarHBondContact O-N 2.97Å; I888-Y891 HydrophobicContact CG2-CD2 3.92Å; I888-G892 WeakPolarHBondContact O-CA 3.25Å; I888-G892 PolarHBondContact O-N 2.89Å; I888-V893 HydrophobicContact CB-CB 4.36Å; I888-V893 HydrophobicContact CD1-CB 4.39Å; I888-V893 HydrophobicContact CD1-CG1 4.47Å; I888-V893 PolarHBondContact N-O 2.76Å; I888-V893 PolarHBondContact O-N 3.5Å; I888-V948 HydrophobicContact CD1-CG2 3.67Å; I888-V948 HydrophobicContact CG1-CG2 4.19Å; I888-I950 HydrophobicContact CD1-CD1 3.75Å; I888-I950 HydrophobicContact CD1-CG1 3.97Å; I888-L964 HydrophobicContact CD1-CD1 4.08Å; I888-L964 HydrophobicContact CD1-CD2 3.76Å
889P84.4Confident87Confident25 Ų2523.6 Ų23.616%0.16212%0.121CC..THydrogen-bonded Turntrans-62.8-38.1-173.7-22.632.7000113.8L749 I875 F887 Y891 G892L749-P889 HydrophobicContact CD1-CG 3.95Å; L749-P889 HydrophobicContact CD2-CB 4.42Å; L749-P889 HydrophobicContact CD2-CG 4.35Å; I875-P889 HydrophobicContact CD1-CG 4.45Å; F887-P889 HydrophobicContact CD1-CG 4.08Å; F887-P889 HydrophobicContact CE1-CB 4Å; F887-P889 HydrophobicContact CE1-CG 3.95Å; F887-P889 WeakPolarHBondContact O-CD 3.14Å; P889-Y891 PolarHBondContact O-N 2.87Å; P889-G892 PolarHBondContact O-N 3.24Å
890E85.1Confident87Confident101 Ų10129.2 Ų29.247%0.47214%0.141SC..THydrogen-bonded Turntrans-59.9-45.1-176.6-172.2-178.8162.600112.2I888I888-E890 PolarHBondContact O-N 2.97Å
891Y86.8Confident86.9Confident7 Ų727.4 Ų27.43%0.02714%0.137CC..THydrogen-bonded Turntrans-102.4-3.3-177-59.2-63.2000113.7L665 Q855 F858 F859 R869 A872 I888 P889 V893 I950L665-Y891 HydrophobicContact CB-CD1 4Å; L665-Y891 HydrophobicContact CD1-CD1 3.89Å; Q855-Y891 PolarHBondContact NE2-O 3.5Å; F858-Y891 HydrophobicContact CE1-CE1 4.01Å; F859-Y891 HydrophobicContact CE1-CE2 4.48Å; F859-Y891 HydrophobicContact CE2-CG 4.44Å; F859-Y891 HydrophobicContact CZ-CD1 4.01Å; F859-Y891 AromaticContact CZ-CD2 3.84Å; F859-Y891 HydrophobicContact CZ-CD2 3.84Å; F859-Y891 HydrophobicContact CZ-CE1 4.16Å; F859-Y891 HydrophobicContact CZ-CE2 4.03Å; F859-Y891 AromaticContact CZ-CG 3.85Å; F859-Y891 HydrophobicContact CZ-CG 3.85Å; R869-Y891 PolarHBondContact O-OH 3.16Å; A872-Y891 HydrophobicContact CB-CD2 4.35Å; A872-Y891 HydrophobicContact CB-CE2 4.15Å; I888-Y891 HydrophobicContact CG2-CD2 3.92Å; P889-Y891 PolarHBondContact O-N 2.87Å; Y891-V893 PolarHBondContact O-N 3.11Å; Y891-I950 HydrophobicContact CD2-CD1 3.81Å; Y891-I950 HydrophobicContact CE2-CD1 4.16Å
892G85.6Confident86.7Confident18 Ų1832.1 Ų32.119%0.18616%0.156CC..THydrogen-bonded Turntrans62.325.6-176.300000113.1I888 P889I888-G892 WeakPolarHBondContact O-CA 3.25Å; I888-G892 PolarHBondContact O-N 2.89Å; P889-G892 PolarHBondContact O-N 3.24Å
893V87.8Confident86.6Confident6 Ų637.1 Ų37.14%0.03618%0.178CC..EExtended strand (participates in β ladder)trans-91.5136.9-174.8173.40000110.1F887 I888 Y891 L962F887-V893 WeakPolarHBondContact CD2-O 3.42Å; I888-V893 HydrophobicContact CB-CB 4.36Å; I888-V893 HydrophobicContact CD1-CB 4.39Å; I888-V893 HydrophobicContact CD1-CG1 4.47Å; I888-V893 PolarHBondContact N-O 2.76Å; I888-V893 PolarHBondContact O-N 3.5Å; Y891-V893 PolarHBondContact O-N 3.11Å; V893-L962 HydrophobicContact CG1-CD1 3.88Å; V893-L962 HydrophobicContact CG2-CD1 3.77Å
894K87.7Confident86.1Confident87 Ų8738 Ų3838%0.37819%0.188SC..EExtended strand (participates in β ladder)trans-116.8132.1169.5-66.3174.3-174.5178.10108.7M756 V886 F887M756-K894 WeakPolarHBondContact SD-CE 3.28Å; M756-K894 PolarHBondContact SD-NZ 2.7Å; V886-K894 WeakPolarHBondContact O-CA 3.42Å; F887-K894 HydrophobicContact CD2-CG 3.68Å; F887-K894 HydrophobicContact CE2-CG 4.39Å
895G87.4Confident85.8Confident8 Ų840.3 Ų40.38%0.08220%0.199CC..EExtended strand (participates in β ladder)trans-156.9159.6179.300000113.5V886V886-G895 PolarHBondContact N-O 2.78Å; V886-G895 PolarHBondContact O-N 2.81Å; V886-G895 VanDerWaalsContact O-N 3.15Å
896P89.5Confident85.7Confident42 Ų4239.2 Ų39.227%0.27319%0.194SC..EExtended strand (participates in β ladder)trans-74.9140.7167.132.3-31.9000110.5L310 L885 Y898L310-P896 HydrophobicContact CD1-CB 4Å; L310-P896 HydrophobicContact CD2-CB 4.03Å; L885-P896 HydrophobicContact CD2-CB 3.87Å; P896-Y898 HydrophobicContact CB-CE2 3.99Å; P896-Y898 HydrophobicContact CG-CE2 3.87Å
897V89.5Confident85.4Confident0 Ų039.3 Ų39.30%019%0.194CC..EExtended strand (participates in β ladder)trans-116.1116.8165.6173.70000106.8G883 V884 V886 V948 L964 V966G883-V897 WeakPolarHBondContact CA-O 3.36Å; V884-V897 HydrophobicContact CG2-CB 3.9Å; V884-V897 HydrophobicContact CG2-CG1 4.39Å; V884-V897 PolarHBondContact N-O 3.28Å; V884-V897 PolarHBondContact O-N 3.45Å; V886-V897 HydrophobicContact CB-CG2 4.37Å; V886-V897 HydrophobicContact CG1-CB 4.32Å; V886-V897 HydrophobicContact CG1-CG2 3.82Å; V886-V897 HydrophobicContact CG2-CG2 3.59Å; V897-V948 HydrophobicContact CG2-CG1 4.04Å; V897-L964 HydrophobicContact CG2-CB 3.64Å; V897-L964 HydrophobicContact CG2-CD1 4.4Å; V897-V966 HydrophobicContact CG1-CB 3.86Å; V897-V966 HydrophobicContact CG1-CG1 4.15Å
898Y88.4Confident85.2Confident35 Ų3539.2 Ų39.214%0.13719%0.194CC..EExtended strand (participates in β ladder)trans-80.8133.9-178.5-62.8-94000109.7L310 S311 E312 P896 W917L310-Y898 HydrophobicContact CB-CD1 4.02Å; L310-Y898 HydrophobicContact CB-CE1 3.36Å; L310-Y898 HydrophobicContact CD1-CD1 4.26Å; L310-Y898 HydrophobicContact CD1-CE1 4.2Å; L310-Y898 HydrophobicContact CG-CE1 4.39Å; S311-Y898 PolarHBondContact O-OH 3.06Å; E312-Y898 HydrophobicContact CG-CD1 3.96Å; E312-Y898 HydrophobicContact CG-CD2 4.01Å; E312-Y898 HydrophobicContact CG-CE1 3.42Å; E312-Y898 VanDerWaalsContact CG-CE1 3.42Å; E312-Y898 HydrophobicContact CG-CE2 3.52Å; E312-Y898 HydrophobicContact CG-CG 4.22Å; E312-Y898 WeakPolarHBondContact CG-OH 3.49Å; E312-Y898 WeakPolarHBondContact OE1-CD2 3.31Å; E312-Y898 VanDerWaalsContact OE1-CE2 3.3Å; E312-Y898 WeakPolarHBondContact OE1-CE2 3.46Å; P896-Y898 HydrophobicContact CB-CE2 3.99Å; P896-Y898 HydrophobicContact CG-CE2 3.87Å; Y898-W917 WeakPolarHBondContact O-CH2 3.3Å
899M87.4Confident84.9Confident0 Ų040.8 Ų40.80%020%0.204CC..SBendtrans-93.6-6174.8-66.8-63.917600112N882 V884 V906 V907 V922 I929 T931 F940N882-M899 PolarHBondContact O-N 3.36Å; V884-M899 HydrophobicContact CB-CE 4.4Å; V884-M899 HydrophobicContact CG1-CE 3.87Å; V884-M899 HydrophobicContact CG2-CE 3.62Å; M899-V906 VanDerWaalsContact O-CA 3.25Å; M899-V906 WeakPolarHBondContact O-CA 3.33Å; M899-V907 PolarHBondContact O-N 2.84Å; M899-V907 HydrophobicContact SD-CB 4.25Å; M899-V907 HydrophobicContact SD-CG2 4.07Å; M899-V922 HydrophobicContact CB-CG1 4.49Å; M899-I929 HydrophobicContact CB-CD1 4.39Å; M899-I929 HydrophobicContact CG-CD1 4.2Å; M899-I929 HydrophobicContact CG-CG2 4.32Å; M899-T931 HydrophobicContact CB-CG2 4.02Å; M899-F940 HydrophobicContact CE-CB 4.18Å; M899-F940 HydrophobicContact CE-CD1 3.89Å; M899-F940 HydrophobicContact CE-CD2 3.72Å; M899-F940 HydrophobicContact CE-CE1 4.15Å; M899-F940 HydrophobicContact CE-CE2 4.01Å; M899-F940 HydrophobicContact CE-CG 3.66Å; M899-F940 HydrophobicContact CE-CZ 4.21Å; M899-F940 HydrophobicContact SD-CD2 3.93Å; M899-F940 HydrophobicContact SD-CE2 3.78Å; M899-F940 HydrophobicContact SD-CG 4.47Å; M899-F940 HydrophobicContact SD-CZ 4.18Å
900R84.6Confident84.6Confident126 Ų12640.1 Ų40.148%0.47520%0.202SC..BIsolated β-bridgetrans-133.7127174.1-170.9179-170.6-170.3-4.3109.4G904 L905 V906 V922R900-G904 PolarHBondContact NE-O 3.02Å; R900-L905 CarbonylContact C-O 3.58Å; R900-L905 WeakPolarHBondContact CA-O 3.25Å; R900-L905 WeakPolarHBondContact CG-O 3.45Å; R900-V906 HydrophobicContact CB-CG1 4.45Å; R900-V906 HydrophobicContact CG-CG1 4.26Å; R900-V922 HydrophobicContact CB-CG2 4.17Å
901N82.7Confident84Confident27 Ų2741.4 Ų41.414%0.14422%0.218CC..  trans-85.8177.1177.773.11.7000111.9E903 G904 L905 W917N901-E903 VanDerWaalsContact C-N 3.27Å; N901-E903 PolarHBondContact ND2-OE2 3.02Å; N901-E903 PolarHBondContact O-N 3.1Å; N901-E903 PolarHBondContact OD1-N 2.68Å; N901-E903 PolarHBondContact OD1-OE2 3.04Å; N901-G904 WeakPolarHBondContact O-CA 3.25Å; N901-G904 PolarHBondContact O-N 2.83Å; N901-G904 PolarHBondContact OD1-N 3.48Å; N901-G904 VanDerWaalsContact OD1-N 3.1Å; N901-L905 PolarHBondContact N-O 3.21Å; N901-L905 WeakPolarHBondContact OD1-CA 3.17Å; N901-L905 WeakPolarHBondContact OD1-CB 3.42Å; N901-L905 PolarHBondContact OD1-N 3.37Å; N901-L905 PolarHBondContact OD1-O 3.27Å; N901-W917 HydrophobicContact CB-CD2 4.09Å; N901-W917 HydrophobicContact CB-CE3 3.87Å; N901-W917 HydrophobicContact CB-CH2 3.88Å; N901-W917 HydrophobicContact CB-CZ2 4.09Å; N901-W917 HydrophobicContact CB-CZ3 3.77Å
902K75Confident83.5Confident128 Ų12847.1 Ų47.156%0.55725%0.25SC*.THydrogen-bonded Turntrans-64.9-29-178.9-63.5-173-176.5-178.10113.5E312 G904E312-K902 WeakPolarHBondContact OE2-CE 3.31Å; E312-K902 WeakPolarHBondContact OE2-CG 3.13Å; E312-K902 IonicContact OE2-NZ 2.71Å; K902-G904 PolarHBondContact O-N 3.34Å
903E78.3Confident83.1Confident142 Ų14246.4 Ų46.466%0.66424%0.242SC*.THydrogen-bonded Turntrans-75.5-2.2175-59.272.1-151.500112.2N901 L905N901-E903 VanDerWaalsContact C-N 3.27Å; N901-E903 PolarHBondContact ND2-OE2 3.02Å; N901-E903 PolarHBondContact O-N 3.1Å; N901-E903 PolarHBondContact OD1-N 2.68Å; N901-E903 PolarHBondContact OD1-OE2 3.04Å; E903-L905 VanDerWaalsContact C-N 3.3Å; E903-L905 HydrophobicContact CB-CD1 4.43Å; E903-L905 HydrophobicContact CB-CG 4.25Å
904G76.6Confident83Confident20 Ų2049.3 Ų49.321%0.20626%0.26CS..SBendtrans81.66.1178.200000114.4R900 N901 K902R900-G904 PolarHBondContact NE-O 3.02Å; N901-G904 WeakPolarHBondContact O-CA 3.25Å; N901-G904 PolarHBondContact O-N 2.83Å; N901-G904 PolarHBondContact OD1-N 3.48Å; N901-G904 VanDerWaalsContact OD1-N 3.1Å; K902-G904 PolarHBondContact O-N 3.34Å
905L84.1Confident82.9Confident47 Ų4746.3 Ų46.325%0.24625%0.249CC..  trans-75.1149.7173.8-52174.6000110R900 N901 E903 W917 Q918R900-L905 CarbonylContact C-O 3.58Å; R900-L905 WeakPolarHBondContact CA-O 3.25Å; R900-L905 WeakPolarHBondContact CG-O 3.45Å; N901-L905 PolarHBondContact N-O 3.21Å; N901-L905 WeakPolarHBondContact OD1-CA 3.17Å; N901-L905 WeakPolarHBondContact OD1-CB 3.42Å; N901-L905 PolarHBondContact OD1-N 3.37Å; N901-L905 PolarHBondContact OD1-O 3.27Å; E903-L905 VanDerWaalsContact C-N 3.3Å; E903-L905 HydrophobicContact CB-CD1 4.43Å; E903-L905 HydrophobicContact CB-CG 4.25Å; L905-W917 HydrophobicContact CB-CB 4.04Å; L905-W917 HydrophobicContact CB-CE3 4.39Å; L905-W917 HydrophobicContact CD1-CB 3.96Å; L905-Q918 CarbonylContact C-O 3.48Å; L905-Q918 WeakPolarHBondContact CA-O 3.49Å
906V85.9Confident82.8Confident0 Ų050.1 Ų50.10%027%0.265CS..EExtended strand (participates in β ladder)trans-112156.2178.6-55.50000111.1M899 R900 A908 Q918 V922 T931M899-V906 VanDerWaalsContact O-CA 3.25Å; M899-V906 WeakPolarHBondContact O-CA 3.33Å; R900-V906 HydrophobicContact CB-CG1 4.45Å; R900-V906 HydrophobicContact CG-CG1 4.26Å; V906-A908 PolarHBondContact O-N 2.79Å; V906-Q918 PolarHBondContact N-O 3.03Å; V906-Q918 PolarHBondContact O-N 2.94Å; V906-V922 HydrophobicContact CB-CG2 4.15Å; V906-V922 HydrophobicContact CG1-CG2 3.48Å; V906-V922 VanDerWaalsContact CG1-CG2 3.48Å; V906-T931 HydrophobicContact CB-CG2 4.42Å
907V86.4Confident82.8Confident2 Ų251.9 Ų51.91%0.01227%0.267CS..EExtended strand (participates in β ladder)trans-67123.9175.8177.80000110.1M899 C915 W917 T931 F940 V966M899-V907 PolarHBondContact O-N 2.84Å; M899-V907 HydrophobicContact SD-CB 4.25Å; M899-V907 HydrophobicContact SD-CG2 4.07Å; V907-C915 HydrophobicContact CG1-CB 3.75Å; V907-W917 HydrophobicContact CG2-CE3 4.08Å; V907-W917 HydrophobicContact CG2-CH2 3.72Å; V907-W917 HydrophobicContact CG2-CZ2 4.36Å; V907-W917 HydrophobicContact CG2-CZ3 3.56Å; V907-T931 WeakPolarHBondContact O-CB 3.14Å; V907-T931 PolarHBondContact O-OG1 2.64Å; V907-F940 HydrophobicContact CG1-CE2 4.44Å; V907-F940 HydrophobicContact CG1-CZ 4.05Å; V907-V966 HydrophobicContact CB-CG1 4.39Å; V907-V966 HydrophobicContact CG1-CG1 3.88Å; V907-V966 HydrophobicContact CG2-CG1 3.64Å
908A84.4Confident82.5Confident2 Ų253.5 Ų53.52%0.01727%0.274CS..EExtended strand (participates in β ladder)trans-113.1135.9171.300000109.4V906 C915 E916 Q918 S933V906-A908 PolarHBondContact O-N 2.79Å; A908-C915 WeakPolarHBondContact O-CA 3.22Å; A908-E916 PolarHBondContact N-O 2.86Å; A908-E916 PolarHBondContact O-N 2.83Å; A908-Q918 HydrophobicContact CB-CB 4.1Å; A908-Q918 HydrophobicContact CB-CG 3.89Å; A908-S933 WeakPolarHBondContact CB-OG 3.43Å
909V84.4Confident82.3Confident34 Ų3456.4 Ų56.421%0.20630%0.3CS..EExtended strand (participates in β ladder)trans-98.3126.4-179.7178.10000109.6T914 A938 F940 N969V909-T914 CarbonylContact C-O 3.53Å; V909-T914 WeakPolarHBondContact CA-O 3.41Å; V909-A938 HydrophobicContact CB-CB 3.88Å; V909-A938 HydrophobicContact CG2-CB 3.41Å; V909-A938 VanDerWaalsContact CG2-CB 3.41Å; V909-F940 HydrophobicContact CG2-CZ 4Å; V909-N969 HydrophobicContact CG1-CB 4.34Å; V909-N969 WeakPolarHBondContact CG1-OD1 3.36Å; V909-N969 HydrophobicContact CG2-CB 4.04Å
910G79.5Confident82.2Confident11 Ų1158.1 Ų58.111%0.11332%0.317CS..  trans-77.2169.8173.500000113D912 G913 T914G910-D912 PolarHBondContact O-N 2.74Å; G910-G913 PolarHBondContact O-N 3.23Å; G910-T914 PolarHBondContact N-O 3.39Å
911P73.1Confident82.1Confident127 Ų12754.8 Ų54.883%0.82531%0.313SS*.THydrogen-bonded Turntrans-60.1-28.7179.523.9-32.4000113.3G913P911-G913 VanDerWaalsContact C-N 3.27Å; P911-G913 PolarHBondContact O-N 3.04Å
912D75.5Confident82.2Confident128 Ų12855.2 Ų55.268%0.68432%0.316SS*.THydrogen-bonded Turntrans-876.8178.5-53.4-35.4000112.9G910 T914G910-D912 PolarHBondContact O-N 2.74Å; D912-T914 VanDerWaalsContact C-N 3.31Å; D912-T914 PolarHBondContact O-N 2.91Å
913G77.6Confident82.7Confident3 Ų356.2 Ų56.23%0.03132%0.317CS..SBendtrans80.43.7-178.500000115G910 P911 S968 N969G910-G913 PolarHBondContact O-N 3.23Å; P911-G913 VanDerWaalsContact C-N 3.27Å; P911-G913 PolarHBondContact O-N 3.04Å; G913-S968 CarbonylContact O-C 3.53Å; G913-S968 WeakPolarHBondContact O-CA 3.21Å; G913-S968 VanDerWaalsContact O-CB 3.31Å; G913-S968 WeakPolarHBondContact O-CB 3.42Å; G913-S968 PolarHBondContact O-OG 2.92Å; G913-N969 WeakPolarHBondContact CA-OD1 3.23Å; G913-N969 PolarHBondContact O-N 2.73Å; G913-N969 PolarHBondContact O-OD1 3.47Å
914T85.1Confident82.9Confident67 Ų6754.9 Ų54.941%0.41131%0.305SS..BIsolated β-bridgetrans-74.3143.4176.953.50000111.8V909 G910 D912V909-T914 CarbonylContact C-O 3.53Å; V909-T914 WeakPolarHBondContact CA-O 3.41Å; G910-T914 PolarHBondContact N-O 3.39Å; D912-T914 VanDerWaalsContact C-N 3.31Å; D912-T914 PolarHBondContact O-N 2.91Å
915C85.8Confident83.2Confident23 Ų2357.9 Ų57.916%0.15531%0.314CS..EExtended strand (participates in β ladder)trans-102.2127.3-177.6-710000111.5V907 A908 V966 I967V907-C915 HydrophobicContact CG1-CB 3.75Å; A908-C915 WeakPolarHBondContact O-CA 3.22Å; C915-V966 HydrophobicContact CB-CG1 4.36Å; C915-V966 HydrophobicContact CB-CG2 4.37Å; C915-I967 PolarHBondContact N-O 3.29Å
916E85.9Confident82.7Confident89 Ų8960.9 Ų60.942%0.41634%0.339SS..EExtended strand (participates in β ladder)trans-127.5151.4176.7-69179.1179.500111.4A908 R935A908-E916 PolarHBondContact N-O 2.86Å; A908-E916 PolarHBondContact O-N 2.83Å; E916-R935 IonicContact OE1-NH1 3.35Å; E916-R935 IonicContact OE2-CZ 2.71Å; E916-R935 IonicContact OE2-NH1 3.82Å; E916-R935 PolarHBondContact OE2-NH1 2.82Å; E916-R935 IonicContact OE2-NH2 3.62Å; E916-R935 PolarHBondContact OE2-NH2 2.73Å
917W87.6Confident82.4Confident79 Ų7963.9 Ų63.930%0.29936%0.355SS..EExtended strand (participates in β ladder)trans-82.2126.5176.3-65.8109.4000111.6Y898 N901 L905 V907 Q965Y898-W917 WeakPolarHBondContact O-CH2 3.3Å; N901-W917 HydrophobicContact CB-CD2 4.09Å; N901-W917 HydrophobicContact CB-CE3 3.87Å; N901-W917 HydrophobicContact CB-CH2 3.88Å; N901-W917 HydrophobicContact CB-CZ2 4.09Å; N901-W917 HydrophobicContact CB-CZ3 3.77Å; L905-W917 HydrophobicContact CB-CB 4.04Å; L905-W917 HydrophobicContact CB-CE3 4.39Å; L905-W917 HydrophobicContact CD1-CB 3.96Å; V907-W917 HydrophobicContact CG2-CE3 4.08Å; V907-W917 HydrophobicContact CG2-CH2 3.72Å; V907-W917 HydrophobicContact CG2-CZ2 4.36Å; V907-W917 HydrophobicContact CG2-CZ3 3.56Å; W917-Q965 VanDerWaalsContact NE1-NE2 3.16Å
918Q84.3Confident82.3Confident34 Ų3465.6 Ų65.616%0.15936%0.363CS..EExtended strand (participates in β ladder)trans-142.7158.3179-64.9-1705.600113.1L905 V906 A908 G920L905-Q918 CarbonylContact C-O 3.48Å; L905-Q918 WeakPolarHBondContact CA-O 3.49Å; V906-Q918 PolarHBondContact N-O 3.03Å; V906-Q918 PolarHBondContact O-N 2.94Å; A908-Q918 HydrophobicContact CB-CB 4.1Å; A908-Q918 HydrophobicContact CB-CG 3.89Å; Q918-G920 PolarHBondContact O-N 3.4Å
919S84Confident82.5Confident96 Ų9665.5 Ų65.567%0.67136%0.362SS*.SBendtrans-62.9131.4174.1-59.10000111.1
920G84.6Confident82.6Confident35 Ų3564.7 Ų64.736%0.36136%0.357SS..EExtended strand (participates in β ladder)trans177.3-166-175.500000114.3Q918 M932Q918-G920 PolarHBondContact O-N 3.4Å; G920-M932 CarbonylContact C-O 3.4Å; G920-M932 WeakPolarHBondContact CA-O 3.5Å
921S83.6Confident83Confident56 Ų5664.2 Ų64.239%0.39235%0.352SS..EExtended strand (participates in β ladder)trans-131.5155.2178.664.70000111.5M932S921-M932 PolarHBondContact N-O 2.92Å; S921-M932 PolarHBondContact O-N 3.35Å
922V85.2Confident83.6Confident36 Ų3661.9 Ų61.922%0.21833%0.331CS..EExtended strand (participates in β ladder)trans-113132.9176.7-172.80000108.2M899 R900 V906 I929 T931M899-V922 HydrophobicContact CB-CG1 4.49Å; R900-V922 HydrophobicContact CB-CG2 4.17Å; V906-V922 HydrophobicContact CB-CG2 4.15Å; V906-V922 HydrophobicContact CG1-CG2 3.48Å; V906-V922 VanDerWaalsContact CG1-CG2 3.48Å; V922-I929 HydrophobicContact CG1-CD1 3.43Å; V922-I929 VanDerWaalsContact CG1-CD1 3.43Å; V922-I929 HydrophobicContact CG1-CG1 3.51Å; V922-T931 HydrophobicContact CG1-CG2 4.5Å; V922-T931 HydrophobicContact CG2-CG2 4.22Å
923R84.2Confident84Confident149 Ų14956.8 Ų56.856%0.56231%0.305SS*.EExtended strand (participates in β ladder)trans-120127.7172.7-69.7-174.1-178174.41.5109.5T930R923-T930 PolarHBondContact N-O 3.01Å; R923-T930 PolarHBondContact O-N 3.21Å
924R83.1Confident83.8Confident114 Ų11460.4 Ų60.443%0.4334%0.343SS..EExtended strand (participates in β ladder)trans-92.5137.9175.9173.9-174.4169-159.6-2.4110.4T308 I879 D881T308-R924 PolarHBondContact OG1-NH1 3.42Å; I879-R924 HydrophobicContact CG2-CG 4.17Å; D881-R924 WeakPolarHBondContact OD1-CD 3.02Å; D881-R924 IonicContact OD1-CZ 3.38Å; D881-R924 IonicContact OD1-NE 3.99Å; D881-R924 IonicContact OD1-NH1 2.68Å; D881-R924 PolarHBondContact OD1-NH1 2.95Å
925H82.4Confident83Confident84 Ų8464.5 Ų64.539%0.38935%0.351SS..  trans-119.2178.2163.8-61.7-88000109.7H928H925-H928 CarbonylContact C-O 3.57Å; H925-H928 WeakPolarHBondContact CA-O 3.33Å; H925-H928 WeakPolarHBondContact CB-CE1 3.45Å; H925-H928 WeakPolarHBondContact CB-O 3.22Å; H925-H928 AromaticContact CD2-CD2 3.53Å; H925-H928 AromaticContact CD2-CE1 3.77Å; H925-H928 AromaticContact CD2-NE2 3.12Å; H925-H928 PolarHBondContact CD2-NE2 3.08Å; H925-H928 AromaticContact CG-CD2 3.9Å; H925-H928 AromaticContact CG-CE1 3.45Å; H925-H928 VanDerWaalsContact CG-CE1 3.45Å; H925-H928 AromaticContact CG-NE2 3.31Å; H925-H928 VanDerWaalsContact CG-NE2 3.31Å; H925-H928 PolarHBondContact N-O 3.04Å; H925-H928 AromaticContact NE2-NE2 3.8Å
926S74.2Confident82.7Confident109 Ų10965.4 Ų65.476%0.76237%0.365SS*.SBendtrans-69.4-34.9-178.144.80000113.2
927D79.1Confident82.6Confident63 Ų6365.3 Ų65.334%0.33737%0.373SS..SBendtrans-117.1-9.4-171.560.4-27.3000113.1A722 L942A722-D927 HydrophobicContact CB-CB 3.97Å; D927-L942 HydrophobicContact CB-CD1 4.43Å; D927-L942 WeakPolarHBondContact O-CG 3.28Å; D927-L942 PolarHBondContact O-N 3.39Å
928H84.9Confident82.5Confident39 Ų3962 Ų6218%0.18136%0.363CS..EExtended strand (participates in β ladder)trans-151.9165.8-179.565.1-82.9000113.1H925 T939 F940 R941H925-H928 CarbonylContact C-O 3.57Å; H925-H928 WeakPolarHBondContact CA-O 3.33Å; H925-H928 WeakPolarHBondContact CB-CE1 3.45Å; H925-H928 WeakPolarHBondContact CB-O 3.22Å; H925-H928 AromaticContact CD2-CD2 3.53Å; H925-H928 AromaticContact CD2-CE1 3.77Å; H925-H928 AromaticContact CD2-NE2 3.12Å; H925-H928 PolarHBondContact CD2-NE2 3.08Å; H925-H928 AromaticContact CG-CD2 3.9Å; H925-H928 AromaticContact CG-CE1 3.45Å; H925-H928 VanDerWaalsContact CG-CE1 3.45Å; H925-H928 AromaticContact CG-NE2 3.31Å; H925-H928 VanDerWaalsContact CG-NE2 3.31Å; H925-H928 PolarHBondContact N-O 3.04Å; H925-H928 AromaticContact NE2-NE2 3.8Å; H928-T939 HydrophobicContact CB-CG2 3.97Å; H928-F940 CarbonylContact C-O 3.49Å; H928-F940 VanDerWaalsContact CA-O 3.24Å; H928-F940 WeakPolarHBondContact CA-O 3.03Å; H928-F940 WeakPolarHBondContact CB-O 3.43Å; H928-R941 HydrophobicContact CB-CB 4.29Å; H928-R941 HydrophobicContact CB-CG 3.88Å
929I88.1Confident82.8Confident0 Ų063 Ų630%037%0.371CS..EExtended strand (participates in β ladder)trans-126.2136.3170.5-165.5168.8000109.1I879 V884 M899 V922 T939 F940I879-I929 HydrophobicContact CG2-CB 4Å; V884-I929 HydrophobicContact CG1-CG2 3.58Å; M899-I929 HydrophobicContact CB-CD1 4.39Å; M899-I929 HydrophobicContact CG-CD1 4.2Å; M899-I929 HydrophobicContact CG-CG2 4.32Å; V922-I929 HydrophobicContact CG1-CD1 3.43Å; V922-I929 VanDerWaalsContact CG1-CD1 3.43Å; V922-I929 HydrophobicContact CG1-CG1 3.51Å; I929-T939 WeakPolarHBondContact O-CA 3.45Å; I929-F940 HydrophobicContact CG2-CB 3.86Å; I929-F940 HydrophobicContact CG2-CD2 4.35Å; I929-F940 PolarHBondContact N-O 3.39Å; I929-F940 PolarHBondContact O-N 3.32Å
930T87.5Confident83Confident17 Ų1758.5 Ų58.510%0.10434%0.34CS..EExtended strand (participates in β ladder)trans-118.4126.4-179.6-57.70000109.8R923 M932 A938 T939R923-T930 PolarHBondContact N-O 3.01Å; R923-T930 PolarHBondContact O-N 3.21Å; T930-M932 HydrophobicContact CG2-CG 4.47Å; T930-A938 CarbonylContact C-O 3.41Å; T930-A938 VanDerWaalsContact CA-O 3.25Å; T930-A938 WeakPolarHBondContact CA-O 3.46Å; T930-A938 WeakPolarHBondContact CG2-O 3.29Å; T930-T939 PolarHBondContact OG1-OG1 2.7Å
931T87.8Confident83.3Confident1 Ų163.8 Ų63.81%0.00635%0.349CS..EExtended strand (participates in β ladder)trans-99133.8169.9590000109.1M899 V906 V907 V922 S937 A938M899-T931 HydrophobicContact CB-CG2 4.02Å; V906-T931 HydrophobicContact CB-CG2 4.42Å; V907-T931 WeakPolarHBondContact O-CB 3.14Å; V907-T931 PolarHBondContact O-OG1 2.64Å; V922-T931 HydrophobicContact CG1-CG2 4.5Å; V922-T931 HydrophobicContact CG2-CG2 4.22Å; T931-S937 CarbonylContact O-C 3.37Å; T931-S937 VanDerWaalsContact O-CA 3.27Å; T931-S937 WeakPolarHBondContact O-CA 3.33Å; T931-A938 PolarHBondContact N-O 3.37Å; T931-A938 PolarHBondContact O-N 2.92Å
932M84.3Confident83.4Confident77 Ų7762.1 Ų62.138%0.37934%0.335SS..EExtended strand (participates in β ladder)trans-114.9118.1177.7-62.5-176.169.300109G920 S921 T930G920-M932 CarbonylContact C-O 3.4Å; G920-M932 WeakPolarHBondContact CA-O 3.5Å; S921-M932 PolarHBondContact N-O 2.92Å; S921-M932 PolarHBondContact O-N 3.35Å; T930-M932 HydrophobicContact CG2-CG 4.47Å
933S85.8Confident83.5Confident21 Ų2161.6 Ų61.615%0.14733%0.33CS..EExtended strand (participates in β ladder)trans-127.7176.917776.80000111.4A908 R935 G936A908-S933 WeakPolarHBondContact CB-OG 3.43Å; S933-R935 PolarHBondContact O-N 2.83Å; S933-R935 VanDerWaalsContact O-N 3.14Å; S933-R935 PolarHBondContact OG-N 2.85Å; S933-G936 PolarHBondContact N-O 3.31Å; S933-G936 PolarHBondContact O-N 2.83Å; S933-G936 VanDerWaalsContact O-N 3.17Å
934G71.8Confident83.7Confident80 Ų8057.2 Ų57.283%0.82532%0.318SS*.THydrogen-bonded Turntrans-61.3-16.2174.300000114.7
935R69.4Low84.1Confident152 Ų15254.1 Ų54.157%0.57431%0.308SS*.THydrogen-bonded Turntrans-94-8.8177.1-72.8-167.4-175.9161.64.6114.4E916 S933E916-R935 IonicContact OE1-NH1 3.35Å; E916-R935 IonicContact OE2-CZ 2.71Å; E916-R935 IonicContact OE2-NH1 3.82Å; E916-R935 PolarHBondContact OE2-NH1 2.82Å; E916-R935 IonicContact OE2-NH2 3.62Å; E916-R935 PolarHBondContact OE2-NH2 2.73Å; S933-R935 PolarHBondContact O-N 2.83Å; S933-R935 VanDerWaalsContact O-N 3.14Å; S933-R935 PolarHBondContact OG-N 2.85Å
936G78.4Confident84.5Confident43 Ų4350.1 Ų50.144%0.44329%0.29SS..EExtended strand (participates in β ladder)trans134.9-169-17900000113.1S933S933-G936 PolarHBondContact N-O 3.31Å; S933-G936 PolarHBondContact O-N 2.83Å; S933-G936 VanDerWaalsContact O-N 3.17Å
937S84.8Confident85.4Confident86 Ų8645.2 Ų45.260%0.60126%0.256SS*.EExtended strand (participates in β ladder)trans-104.5126.217659.80000111.1T931T931-S937 CarbonylContact O-C 3.37Å; T931-S937 VanDerWaalsContact O-CA 3.27Å; T931-S937 WeakPolarHBondContact O-CA 3.33Å
938A85.9Confident86Confident11 Ų1142.2 Ų42.29%0.09124%0.239CC..EExtended strand (participates in β ladder)trans-105.2139.8169.500000109.9V909 T930 T931 F940V909-A938 HydrophobicContact CB-CB 3.88Å; V909-A938 HydrophobicContact CG2-CB 3.41Å; V909-A938 VanDerWaalsContact CG2-CB 3.41Å; T930-A938 CarbonylContact C-O 3.41Å; T930-A938 VanDerWaalsContact CA-O 3.25Å; T930-A938 WeakPolarHBondContact CA-O 3.46Å; T930-A938 WeakPolarHBondContact CG2-O 3.29Å; T931-A938 PolarHBondContact N-O 3.37Å; T931-A938 PolarHBondContact O-N 2.92Å; A938-F940 HydrophobicContact CB-CE2 4.19Å
939T88.9Confident86.4Confident53 Ų5342.5 Ų42.533%0.32524%0.239SC..EExtended strand (participates in β ladder)trans-123132.4-179.2-59.90000109.6H928 I929 T930 R941H928-T939 HydrophobicContact CB-CG2 3.97Å; I929-T939 WeakPolarHBondContact O-CA 3.45Å; T930-T939 PolarHBondContact OG1-OG1 2.7Å; T939-R941 HydrophobicContact CG2-CG 4.1Å
940F89.4Confident86.7Confident2 Ų242.5 Ų42.51%0.00924%0.239CC..EExtended strand (participates in β ladder)trans-120.1120.9175.8-58.6-92.8000108.4I876 M899 V907 V909 H928 I929 A938 I946 V966 N969I876-F940 HydrophobicContact CD1-CB 3.82Å; I876-F940 HydrophobicContact CD1-CD1 4.39Å; M899-F940 HydrophobicContact CE-CB 4.18Å; M899-F940 HydrophobicContact CE-CD1 3.89Å; M899-F940 HydrophobicContact CE-CD2 3.72Å; M899-F940 HydrophobicContact CE-CE1 4.15Å; M899-F940 HydrophobicContact CE-CE2 4.01Å; M899-F940 HydrophobicContact CE-CG 3.66Å; M899-F940 HydrophobicContact CE-CZ 4.21Å; M899-F940 HydrophobicContact SD-CD2 3.93Å; M899-F940 HydrophobicContact SD-CE2 3.78Å; M899-F940 HydrophobicContact SD-CG 4.47Å; M899-F940 HydrophobicContact SD-CZ 4.18Å; V907-F940 HydrophobicContact CG1-CE2 4.44Å; V907-F940 HydrophobicContact CG1-CZ 4.05Å; V909-F940 HydrophobicContact CG2-CZ 4Å; H928-F940 CarbonylContact C-O 3.49Å; H928-F940 VanDerWaalsContact CA-O 3.24Å; H928-F940 WeakPolarHBondContact CA-O 3.03Å; H928-F940 WeakPolarHBondContact CB-O 3.43Å; I929-F940 HydrophobicContact CG2-CB 3.86Å; I929-F940 HydrophobicContact CG2-CD2 4.35Å; I929-F940 PolarHBondContact N-O 3.39Å; I929-F940 PolarHBondContact O-N 3.32Å; A938-F940 HydrophobicContact CB-CE2 4.19Å; F940-I946 HydrophobicContact CD1-CG2 3.97Å; F940-I946 HydrophobicContact CE1-CG2 4.27Å; F940-V966 HydrophobicContact CE1-CG2 4.39Å; F940-N969 HydrophobicContact CE1-CB 3.76Å; F940-N969 HydrophobicContact CZ-CB 4.35Å
941R89.7Confident86.9Confident147 Ų14743.2 Ų43.256%0.55525%0.245SC*.EExtended strand (participates in β ladder)trans-105.1162.8-175.1-52.7-176.6170.2167.4-1.3111.2H928 T939 F943 D944H928-R941 HydrophobicContact CB-CB 4.29Å; H928-R941 HydrophobicContact CB-CG 3.88Å; T939-R941 HydrophobicContact CG2-CG 4.1Å; R941-F943 PolarHBondContact O-N 2.86Å; R941-D944 WeakPolarHBondContact CA-OD2 3.4Å; R941-D944 WeakPolarHBondContact CB-OD2 3.29Å; R941-D944 PolarHBondContact N-OD2 3.35Å; R941-D944 WeakPolarHBondContact O-CB 3.46Å; R941-D944 PolarHBondContact O-N 3.38Å
942L86.6Confident87.1Confident20 Ų2044.7 Ų44.711%0.10525%0.253CS..THydrogen-bonded Turntrans-57.1137.4166.1-71.1171.3000109.8T719 A722 I876 I879 D927 D944T719-L942 HydrophobicContact CG2-CD1 4.38Å; A722-L942 HydrophobicContact CB-CD1 3.85Å; I876-L942 HydrophobicContact CG2-CD2 4.43Å; I879-L942 HydrophobicContact CD1-CD2 4.22Å; I879-L942 HydrophobicContact CD1-CG 4.45Å; I879-L942 HydrophobicContact CG1-CD2 3.86Å; I879-L942 HydrophobicContact CG1-CG 4Å; D927-L942 HydrophobicContact CB-CD1 4.43Å; D927-L942 WeakPolarHBondContact O-CG 3.28Å; D927-L942 PolarHBondContact O-N 3.39Å; L942-D944 PolarHBondContact O-N 3.02Å
943F87.2Confident87.3Confident25 Ų2545.2 Ų45.211%0.1126%0.257CS..THydrogen-bonded Turntrans68.64.5-177.4-49.9-73.7000116T719 A723 V750 L753 L754 I875 I876 R941 H945T719-F943 HydrophobicContact CG2-CE1 4.48Å; T719-F943 HydrophobicContact CG2-CE2 3.8Å; T719-F943 HydrophobicContact CG2-CZ 3.48Å; T719-F943 VanDerWaalsContact CG2-CZ 3.48Å; A723-F943 HydrophobicContact CB-CD2 3.74Å; A723-F943 HydrophobicContact CB-CE2 3.43Å; A723-F943 VanDerWaalsContact CB-CE2 3.43Å; A723-F943 HydrophobicContact CB-CZ 4.27Å; V750-F943 HydrophobicContact CB-CD1 4.3Å; V750-F943 HydrophobicContact CB-CE1 4.5Å; V750-F943 HydrophobicContact CG1-CD1 3.97Å; V750-F943 HydrophobicContact CG1-CE1 3.85Å; V750-F943 HydrophobicContact CG1-CG 4.38Å; V750-F943 HydrophobicContact CG1-CZ 4.17Å; V750-F943 HydrophobicContact CG2-CB 4.18Å; V750-F943 HydrophobicContact CG2-CD1 3.9Å; V750-F943 HydrophobicContact CG2-CG 4.15Å; L753-F943 HydrophobicContact CB-CE1 4.31Å; L753-F943 HydrophobicContact CD1-CD1 4.03Å; L753-F943 HydrophobicContact CD1-CE1 4.15Å; L754-F943 HydrophobicContact CD2-CZ 4.12Å; I875-F943 HydrophobicContact CG2-CD1 4.5Å; I876-F943 WeakPolarHBondContact O-CA 3.15Å; I876-F943 PolarHBondContact O-N 3.22Å; R941-F943 PolarHBondContact O-N 2.86Å; F943-H945 PolarHBondContact O-N 3.27Å
944D88.8Confident87.1Confident58 Ų5847 Ų4731%0.3127%0.27SS..  trans-65.9137.5168.6-73.7-9.4000110.1I876 R941 L942I876-D944 HydrophobicContact CD1-CB 4.31Å; I876-D944 PolarHBondContact N-O 2.95Å; I876-D944 VanDerWaalsContact N-O 3.11Å; R941-D944 WeakPolarHBondContact CA-OD2 3.4Å; R941-D944 WeakPolarHBondContact CB-OD2 3.29Å; R941-D944 PolarHBondContact N-OD2 3.35Å; R941-D944 WeakPolarHBondContact O-CB 3.46Å; R941-D944 PolarHBondContact O-N 3.38Å; L942-D944 PolarHBondContact O-N 3.02Å
945H90.4Very high87.5Confident48 Ų4844.8 Ų44.822%0.22224%0.24CC..EExtended strand (participates in β ladder)trans-84128.7168.9-72.6-109.3000110.2D747 D873 A874 I875 F943 P971D747-H945 IonicContact OD1-NE2 2.68Å; D747-H945 IonicContact OD2-CE1 2.73Å; D747-H945 IonicContact OD2-NE2 2.92Å; D747-H945 PolarHBondContact OD2-NE2 3.23Å; D747-H945 VanDerWaalsContact OD2-NE2 3.15Å; D873-H945 IonicContact OD1-ND1 3.97Å; D873-H945 IonicContact OD2-CE1 3.15Å; D873-H945 IonicContact OD2-CG 3.51Å; D873-H945 IonicContact OD2-ND1 3.9Å; D873-H945 PolarHBondContact OD2-ND1 3.04Å; A874-H945 WeakPolarHBondContact O-CA 3.48Å; I875-H945 VanDerWaalsContact CD1-CE1 3.49Å; I875-H945 WeakPolarHBondContact CD1-CE1 3.33Å; I875-H945 VanDerWaalsContact CG1-CE1 3.45Å; I875-H945 WeakPolarHBondContact CG1-CE1 3.49Å; F943-H945 PolarHBondContact O-N 3.27Å; H945-P971 HydrophobicContact CB-CB 3.76Å
946I92.1Very high87.9Confident0 Ų042.3 Ų42.30%024%0.239CC..EExtended strand (participates in β ladder)trans-128.8150.6176.664.9169.3000110.2A874 I876 V886 F940 V948 V966A874-I946 HydrophobicContact CB-CG1 4.31Å; A874-I946 PolarHBondContact N-O 3.13Å; A874-I946 PolarHBondContact O-N 2.92Å; I876-I946 HydrophobicContact CD1-CD1 4.36Å; I876-I946 HydrophobicContact CD1-CG2 4.04Å; I876-I946 HydrophobicContact CG1-CD1 4.26Å; I876-I946 HydrophobicContact CG1-CG1 4.47Å; V886-I946 HydrophobicContact CG1-CD1 3.94Å; V886-I946 HydrophobicContact CG1-CG1 4.5Å; F940-I946 HydrophobicContact CD1-CG2 3.97Å; F940-I946 HydrophobicContact CE1-CG2 4.27Å; I946-V948 HydrophobicContact CD1-CG1 3.88Å; I946-V948 HydrophobicContact CG1-CG1 3.97Å; I946-V966 HydrophobicContact CB-CG2 4.49Å; I946-V966 HydrophobicContact CD1-CB 4.45Å; I946-V966 HydrophobicContact CD1-CG2 4.13Å
947T92.3Very high88.1Confident7 Ų741.1 Ų41.14%0.04322%0.223CC..EExtended strand (participates in β ladder)trans-88.4125.5171.9-55.70000109.6V871 I967 S968 Q970 H972V871-T947 HydrophobicContact CG1-CG2 3.36Å; T947-I967 HydrophobicContact CG2-CD1 3.57Å; T947-I967 HydrophobicContact CG2-CG1 3.51Å; T947-I967 WeakPolarHBondContact O-CG1 3.41Å; T947-I967 PolarHBondContact O-N 3.49Å; T947-S968 PolarHBondContact N-O 3.37Å; T947-S968 PolarHBondContact O-N 3.38Å; T947-Q970 PolarHBondContact N-O 2.84Å; T947-Q970 VanDerWaalsContact N-O 3.14Å; T947-Q970 PolarHBondContact OG1-O 3.28Å; T947-H972 HydrophobicContact CG2-CB 3.85Å; T947-H972 WeakPolarHBondContact OG1-CA 3.41Å; T947-H972 PolarHBondContact OG1-N 2.87Å
948V92.9Very high88.3Confident0 Ų038.9 Ų38.90%020%0.203CC..EExtended strand (participates in β ladder)trans-117.9145177.3-58.90000111.6V871 A872 A874 I888 V897 I946 Q965V871-V948 WeakPolarHBondContact CA-O 3.34Å; A872-V948 PolarHBondContact N-O 3.45Å; A872-V948 PolarHBondContact O-N 3.19Å; A874-V948 HydrophobicContact CB-CB 4.45Å; A874-V948 HydrophobicContact CB-CG1 3.86Å; A874-V948 HydrophobicContact CB-CG2 3.72Å; I888-V948 HydrophobicContact CD1-CG2 3.67Å; I888-V948 HydrophobicContact CG1-CG2 4.19Å; V897-V948 HydrophobicContact CG2-CG1 4.04Å; I946-V948 HydrophobicContact CD1-CG1 3.88Å; I946-V948 HydrophobicContact CG1-CG1 3.97Å; V948-Q965 CarbonylContact C-O 3.52Å; V948-Q965 VanDerWaalsContact CA-O 3.25Å; V948-Q965 WeakPolarHBondContact CA-O 3.42Å
949R93.3Very high88.3Confident45 Ų4539.8 Ų39.817%0.1721%0.211CC..EExtended strand (participates in β ladder)trans-93134.1164.7-175.8179.9-66.1128.9-1.7109.6P864 E865 C870 L964 Q965 I967P864-R949 HydrophobicContact CB-CG 4.21Å; P864-R949 VanDerWaalsContact O-CD 3.31Å; P864-R949 WeakPolarHBondContact O-CD 3.1Å; P864-R949 PolarHBondContact O-NE 3.14Å; E865-R949 VanDerWaalsContact CD-CZ 3.48Å; E865-R949 WeakPolarHBondContact OE1-CD 3.33Å; E865-R949 IonicContact OE1-CZ 3.28Å; E865-R949 IonicContact OE1-NE 2.76Å; E865-R949 PolarHBondContact OE1-NE 3.23Å; E865-R949 IonicContact OE1-NH1 2.84Å; E865-R949 PolarHBondContact OE1-NH1 3.03Å; E865-R949 IonicContact OE1-NH2 3.86Å; E865-R949 IonicContact OE2-CZ 2.77Å; E865-R949 IonicContact OE2-NE 3.48Å; E865-R949 IonicContact OE2-NH1 2.77Å; E865-R949 IonicContact OE2-NH2 2.71Å; E865-R949 PolarHBondContact OE2-NH2 3.46Å; C870-R949 CarbonylContact O-C 3.51Å; C870-R949 WeakPolarHBondContact O-CA 3.5Å; R949-L964 WeakPolarHBondContact O-CA 3.4Å; R949-Q965 PolarHBondContact N-O 3.38Å; R949-Q965 PolarHBondContact O-N 3.45Å; R949-I967 HydrophobicContact CB-CG2 3.81Å
950I93.6Very high88.3Confident0 Ų038.8 Ų38.80%020%0.203CC..EExtended strand (participates in β ladder)trans-102.5127.9178.3-50.3174.1000108F859 C870 A872 I888 Y891 L962 L964F859-I950 HydrophobicContact CD1-CB 4.3Å; F859-I950 HydrophobicContact CD1-CG2 4Å; F859-I950 HydrophobicContact CD2-CG2 3.83Å; F859-I950 HydrophobicContact CE1-CB 4.21Å; F859-I950 HydrophobicContact CE1-CD1 3.9Å; F859-I950 HydrophobicContact CE1-CG2 4.11Å; F859-I950 HydrophobicContact CE2-CD1 4.26Å; F859-I950 HydrophobicContact CE2-CG2 3.95Å; F859-I950 HydrophobicContact CG-CG2 3.88Å; F859-I950 HydrophobicContact CZ-CB 4.48Å; F859-I950 HydrophobicContact CZ-CD1 3.61Å; F859-I950 HydrophobicContact CZ-CG2 4.09Å; C870-I950 PolarHBondContact O-N 3.45Å; A872-I950 HydrophobicContact CB-CD1 4.14Å; I888-I950 HydrophobicContact CD1-CD1 3.75Å; I888-I950 HydrophobicContact CD1-CG1 3.97Å; Y891-I950 HydrophobicContact CD2-CD1 3.81Å; Y891-I950 HydrophobicContact CE2-CD1 4.16Å; I950-L962 HydrophobicContact CG2-CD1 4.32Å; I950-L962 HydrophobicContact CG2-CD2 4.15Å; I950-L964 HydrophobicContact CB-CD2 4.26Å; I950-L964 HydrophobicContact CG1-CD2 3.82Å; I950-L964 HydrophobicContact CG2-CD2 4.14Å
951S91.9Very high88.2Confident32 Ų3241 Ų4122%0.22422%0.217CC..EExtended strand (participates in β ladder)trans-137.2162.8173.855.40000110.8L962 T963S951-L962 CarbonylContact O-C 3.58Å; S951-L962 WeakPolarHBondContact O-CA 3.25Å; S951-T963 PolarHBondContact N-O 3.3Å; S951-T963 PolarHBondContact O-N 3.31Å; S951-T963 PolarHBondContact O-OG1 3.47Å; S951-T963 PolarHBondContact OG-OG1 3.38Å
952V91.2Very high88.2Confident31 Ų3135.4 Ų35.419%0.18820%0.198CC..EExtended strand (participates in β ladder)trans-103.7119.3179.6-176.10000109.9C856 F859 K860 S954 D960 L962C856-V952 HydrophobicContact CB-CG1 4.47Å; C856-V952 WeakPolarHBondContact O-CG2 3.41Å; F859-V952 HydrophobicContact CB-CG2 3.62Å; K860-V952 HydrophobicContact CB-CG2 4.13Å; V952-S954 PolarHBondContact O-N 3.47Å; V952-D960 HydrophobicContact CG1-CB 4.09Å; V952-L962 HydrophobicContact CG2-CD2 3.93Å
953L88Confident88.4Confident89 Ų8936.7 Ų36.747%0.46621%0.207SC..EExtended strand (participates in β ladder)trans-86.4101.8166.6-178.965.4000109T955 T961 T963L953-T955 HydrophobicContact CG-CG2 4.47Å; L953-T961 PolarHBondContact N-O 3.33Å; L953-T961 PolarHBondContact O-N 3.42Å; L953-T961 VanDerWaalsContact O-N 3.12Å; L953-T963 HydrophobicContact CB-CG2 3.75Å; L953-T963 HydrophobicContact CD2-CG2 4.31Å
954S83.6Confident88.6Confident59 Ų5936.1 Ų36.141%0.41321%0.205SC..  trans-82138.6175.9-62.60000111.2V952 D960V952-S954 PolarHBondContact O-N 3.47Å; S954-D960 VanDerWaalsContact CA-OD1 3.25Å; S954-D960 WeakPolarHBondContact CA-OD1 3.28Å
955T79.9Confident88.7Confident33 Ų3336.7 Ų36.720%0.20221%0.206CC..  trans-135.1137.817571.90000111.2L953 C957 H958 D960L953-T955 HydrophobicContact CG-CG2 4.47Å; T955-C957 VanDerWaalsContact C-N 3.3Å; T955-C957 PolarHBondContact O-N 3.29Å; T955-H958 VanDerWaalsContact OG1-C 3.28Å; T955-H958 WeakPolarHBondContact OG1-CA 3.45Å; T955-H958 VanDerWaalsContact OG1-CB 3.3Å; T955-H958 WeakPolarHBondContact OG1-CB 3.41Å; T955-H958 PolarHBondContact OG1-N 3.44Å; T955-H958 VanDerWaalsContact OG1-N 3.09Å; T955-H958 PolarHBondContact OG1-O 2.83Å; T955-H958 VanDerWaalsContact OG1-O 3.06Å; T955-D960 PolarHBondContact N-OD1 3.4Å
956N77.1Confident88.7Confident100 Ų10034.6 Ų34.654%0.53520%0.196SC..SBendtrans-68.5-30.1-179.6-65.34.7000112.6R389R389-N956 PolarHBondContact NH1-O 3.03Å
957C82.9Confident88.6Confident18 Ų1836.3 Ų36.312%0.12221%0.205CC..SBendtrans-100.3-25.5-173.2-61.60000114.3V366 R389 T955V366-C957 HydrophobicContact CB-CB 4.01Å; V366-C957 HydrophobicContact CG1-CB 3.74Å; R389-C957 VanDerWaalsContact NH1-C 3.25Å; R389-C957 PolarHBondContact NH1-O 3.5Å; T955-C957 VanDerWaalsContact C-N 3.3Å; T955-C957 PolarHBondContact O-N 3.29Å
958H87.8Confident88.4Confident39 Ų3936.9 Ų36.918%0.18121%0.209CC..SBendtrans-116.6178.5-177-53-65.1000110.7P367 W368 R389 T955P367-H958 PolarHBondContact O-CE1 2.95Å; P367-H958 VanDerWaalsContact O-CE1 3.25Å; P367-H958 PolarHBondContact O-ND1 3.18Å; W368-H958 PolarHBondContact O-ND1 3.35Å; R389-H958 PolarHBondContact NH2-O 2.94Å; R389-H958 VanDerWaalsContact NH2-O 3.11Å; T955-H958 VanDerWaalsContact OG1-C 3.28Å; T955-H958 WeakPolarHBondContact OG1-CA 3.45Å; T955-H958 VanDerWaalsContact OG1-CB 3.3Å; T955-H958 WeakPolarHBondContact OG1-CB 3.41Å; T955-H958 PolarHBondContact OG1-N 3.44Å; T955-H958 VanDerWaalsContact OG1-N 3.09Å; T955-H958 PolarHBondContact OG1-O 2.83Å; T955-H958 VanDerWaalsContact OG1-O 3.06Å
959A85.9Confident88Confident30 Ų3039.7 Ų39.725%0.24822%0.224CC..  trans-66143.7167.300000111.2W368W368-A959 HydrophobicContact CH2-CB 4.28Å; W368-A959 HydrophobicContact CZ2-CB 3.39Å
960D88.9Confident87.6Confident32 Ų3242.4 Ų42.417%0.17124%0.239CC..  trans-60.4141.2168.3-68.1-8000109.7C856 K860 V952 S954 T955C856-D960 HydrophobicContact CB-CB 4.22Å; C856-D960 PolarHBondContact SG-O 2.77Å; K860-D960 IonicContact NZ-OD2 2.94Å; K860-D960 PolarHBondContact NZ-OD2 3.48Å; V952-D960 HydrophobicContact CG1-CB 4.09Å; S954-D960 VanDerWaalsContact CA-OD1 3.25Å; S954-D960 WeakPolarHBondContact CA-OD1 3.28Å; T955-D960 PolarHBondContact N-OD1 3.4Å
961T88.3Confident87Confident48 Ų4845.7 Ų45.729%0.29426%0.26SS..EExtended strand (participates in β ladder)trans-132.9143.2-17853.10000111.2L953L953-T961 PolarHBondContact N-O 3.33Å; L953-T961 PolarHBondContact O-N 3.42Å; L953-T961 VanDerWaalsContact O-N 3.12Å
962L90.5Very high86.3Confident30 Ų3047.7 Ų47.716%0.15727%0.266CS..EExtended strand (participates in β ladder)trans-72.4133.1172-60.9-177.7000111.1Q855 F859 V893 I950 S951 V952Q855-L962 HydrophobicContact CB-CD1 4.17Å; F859-L962 HydrophobicContact CB-CD2 4.15Å; F859-L962 HydrophobicContact CD2-CD1 4.04Å; F859-L962 HydrophobicContact CD2-CD2 3.76Å; F859-L962 HydrophobicContact CE2-CD1 4.2Å; F859-L962 HydrophobicContact CG-CD2 4.31Å; V893-L962 HydrophobicContact CG1-CD1 3.88Å; V893-L962 HydrophobicContact CG2-CD1 3.77Å; I950-L962 HydrophobicContact CG2-CD1 4.32Å; I950-L962 HydrophobicContact CG2-CD2 4.15Å; S951-L962 CarbonylContact O-C 3.58Å; S951-L962 WeakPolarHBondContact O-CA 3.25Å; V952-L962 HydrophobicContact CG2-CD2 3.93Å
963T90.3Very high84.9Confident47 Ų4754.2 Ų54.229%0.28830%0.299SS..EExtended strand (participates in β ladder)trans-108.8135.1171.840.60000109.6S951 L953S951-T963 PolarHBondContact N-O 3.3Å; S951-T963 PolarHBondContact O-N 3.31Å; S951-T963 PolarHBondContact O-OG1 3.47Å; S951-T963 PolarHBondContact OG-OG1 3.38Å; L953-T963 HydrophobicContact CB-CG2 3.75Å; L953-T963 HydrophobicContact CD2-CG2 4.31Å
964L91.8Very high83Confident12 Ų1251.3 Ų51.36%0.06329%0.29CS..EExtended strand (participates in β ladder)trans-115.5123.4-178.1-55.9-178.1000109.4V886 I888 V897 R949 I950V886-L964 HydrophobicContact CG2-CD1 3.47Å; V886-L964 VanDerWaalsContact CG2-CD1 3.47Å; I888-L964 HydrophobicContact CD1-CD1 4.08Å; I888-L964 HydrophobicContact CD1-CD2 3.76Å; V897-L964 HydrophobicContact CG2-CB 3.64Å; V897-L964 HydrophobicContact CG2-CD1 4.4Å; R949-L964 WeakPolarHBondContact O-CA 3.4Å; I950-L964 HydrophobicContact CB-CD2 4.26Å; I950-L964 HydrophobicContact CG1-CD2 3.82Å; I950-L964 HydrophobicContact CG2-CD2 4.14Å
965Q90.4Very high80.7Confident71 Ų7153.6 Ų53.633%0.33231%0.313SS..EExtended strand (participates in β ladder)trans-116130.7176.6-177.3178.1-5.200109.8W917 V948 R949 I967W917-Q965 VanDerWaalsContact NE1-NE2 3.16Å; V948-Q965 CarbonylContact C-O 3.52Å; V948-Q965 VanDerWaalsContact CA-O 3.25Å; V948-Q965 WeakPolarHBondContact CA-O 3.42Å; R949-Q965 PolarHBondContact N-O 3.38Å; R949-Q965 PolarHBondContact O-N 3.45Å; Q965-I967 PolarHBondContact O-N 2.94Å
966V90.1Very high78.2Confident4 Ų456 Ų562%0.02434%0.336CS..EExtended strand (participates in β ladder)trans-71.1129.5172.761.60000110.2V897 V907 C915 F940 I946V897-V966 HydrophobicContact CG1-CB 3.86Å; V897-V966 HydrophobicContact CG1-CG1 4.15Å; V907-V966 HydrophobicContact CB-CG1 4.39Å; V907-V966 HydrophobicContact CG1-CG1 3.88Å; V907-V966 HydrophobicContact CG2-CG1 3.64Å; C915-V966 HydrophobicContact CB-CG1 4.36Å; C915-V966 HydrophobicContact CB-CG2 4.37Å; F940-V966 HydrophobicContact CE1-CG2 4.39Å; I946-V966 HydrophobicContact CB-CG2 4.49Å; I946-V966 HydrophobicContact CD1-CB 4.45Å; I946-V966 HydrophobicContact CD1-CG2 4.13Å
967I90.4Very high76.2Confident36 Ų3657 Ų5719%0.18535%0.348CS..EExtended strand (participates in β ladder)trans-115.7-23.6176.263.3171.8000112.5V871 C915 T947 R949 Q965V871-I967 HydrophobicContact CG1-CD1 3.66Å; V871-I967 HydrophobicContact CG2-CD1 4.09Å; C915-I967 PolarHBondContact N-O 3.29Å; T947-I967 HydrophobicContact CG2-CD1 3.57Å; T947-I967 HydrophobicContact CG2-CG1 3.51Å; T947-I967 WeakPolarHBondContact O-CG1 3.41Å; T947-I967 PolarHBondContact O-N 3.49Å; R949-I967 HydrophobicContact CB-CG2 3.81Å; Q965-I967 PolarHBondContact O-N 2.94Å
968S87.6Confident73.6Confident18 Ų1863.4 Ų63.413%0.12638%0.376CS..EExtended strand (participates in β ladder)trans-148.5148.2171.5-179.60000111.3G913 T947 Q970G913-S968 CarbonylContact O-C 3.53Å; G913-S968 WeakPolarHBondContact O-CA 3.21Å; G913-S968 VanDerWaalsContact O-CB 3.31Å; G913-S968 WeakPolarHBondContact O-CB 3.42Å; G913-S968 PolarHBondContact O-OG 2.92Å; T947-S968 PolarHBondContact N-O 3.37Å; T947-S968 PolarHBondContact O-N 3.38Å; S968-Q970 PolarHBondContact OG-N 3.17Å; S968-Q970 VanDerWaalsContact OG-N 3.07Å
969N84.4Confident70.6Confident59 Ų5972.5 Ų72.532%0.31641%0.409SS..SBendtrans-85.55.3170.477.2-36.1000113.2V909 G913 F940V909-N969 HydrophobicContact CG1-CB 4.34Å; V909-N969 WeakPolarHBondContact CG1-OD1 3.36Å; V909-N969 HydrophobicContact CG2-CB 4.04Å; G913-N969 WeakPolarHBondContact CA-OD1 3.23Å; G913-N969 PolarHBondContact O-N 2.73Å; G913-N969 PolarHBondContact O-OD1 3.47Å; F940-N969 HydrophobicContact CE1-CB 3.76Å; F940-N969 HydrophobicContact CZ-CB 4.35Å
970Q84.3Confident68Low103 Ų10377 Ų7748%0.48144%0.435SS..SBendtrans-103.1153.3173.4-64.4-172.25.400110.3T947 S968T947-Q970 PolarHBondContact N-O 2.84Å; T947-Q970 VanDerWaalsContact N-O 3.14Å; T947-Q970 PolarHBondContact OG1-O 3.28Å; S968-Q970 PolarHBondContact OG-N 3.17Å; S968-Q970 VanDerWaalsContact OG-N 3.07Å
971P81.2Confident65.1Low69 Ų6978.2 Ų78.245%0.44846%0.455SS..  trans-60.8144.9174.423.4-32.9000111.1D873 H945 L973D873-P971 VanDerWaalsContact OD1-CA 3.26Å; D873-P971 WeakPolarHBondContact OD1-CA 3.11Å; D873-P971 WeakPolarHBondContact OD1-CB 3.44Å; H945-P971 HydrophobicContact CB-CB 3.76Å; P971-L973 PolarHBondContact O-N 3.19Å
972H76.9Confident62.8Low73 Ų7381.6 Ų81.634%0.33848%0.481SS..  trans-74.1111.4176.9-170.258.9000110D873 T947 G974D873-H972 HydrophobicContact CB-CB 4Å; D873-H972 PolarHBondContact OD1-N 3.1Å; D873-H972 VanDerWaalsContact OD1-N 3.17Å; T947-H972 HydrophobicContact CG2-CB 3.85Å; T947-H972 WeakPolarHBondContact OG1-CA 3.41Å; T947-H972 PolarHBondContact OG1-N 2.87Å; H972-G974 PolarHBondContact CD2-N 3.09Å; H972-G974 PolarHBondContact O-N 3.28Å
973L63Low60Low169 Ų16982.6 Ų82.689%0.88549%0.489SS*.  trans-78.456.3169-70.1164000110.5P971P971-L973 PolarHBondContact O-N 3.19Å
974G47.2Very low57.6Low28 Ų2890.2 Ų90.229%0.28951%0.513SS..  trans-65.1155.8163.400000109.8H972 A976H972-G974 PolarHBondContact CD2-N 3.09Å; H972-G974 PolarHBondContact O-N 3.28Å; G974-A976 PolarHBondContact O-N 2.54Å
975A36.3Very low55Low107 Ų107100 Ų10088%0.88455%0.549SS*.SBendtrans-29.4109.8-17200000112.5
976A26.7Very low52.6Low84 Ų8498.6 Ų98.669%0.69455%0.547SS*.  trans-42.7124.5-166.600000112G974 Q978G974-A976 PolarHBondContact O-N 2.54Å; A976-Q978 PolarHBondContact O-N 3.21Å; A976-Q978 VanDerWaalsContact O-N 3.15Å
977P36.1Very low50Low119 Ų119104 Ų10477%0.77357%0.571SS**  trans-58.7122148.714.8-6.7000104.6R979P977-R979 PolarHBondContact O-N 2.92Å
978Q26.6Very low47.5Very low153 Ų153107.3 Ų107.372%0.71559%0.589SS**  trans-45.3125.9173.8-67.3-176.613.700107.5A976A976-Q978 PolarHBondContact O-N 3.21Å; A976-Q978 VanDerWaalsContact O-N 3.15Å
979R25.2Very low45.3Very low231 Ų231107.9 Ų107.987%0.87259%0.592SS**  trans-40.6135.7175.5-74.7177.5172.9175.8-3.1108.3P977 G981P977-R979 PolarHBondContact O-N 2.92Å; R979-G981 PolarHBondContact O-N 2.82Å
980P31.9Very low43.2Very low124 Ų124109.5 Ų109.581%0.80560%0.597SS**  trans-72.964.4173.831.6-33000109.2S982P980-S982 PolarHBondContact O-N 2.76Å
981G28.6Very low41.1Very low57 Ų57108.1 Ų108.159%0.58859%0.591SS**SBendtrans-72.389.515800000105.9R979 P983R979-G981 PolarHBondContact O-N 2.82Å; G981-P983 WeakPolarHBondContact O-CD 3.44Å
982S39Very low39.2Very low120 Ų120107.5 Ų107.584%0.83959%0.586SS**  trans9.875.5174.562.30000115.2P980P980-S982 PolarHBondContact O-N 2.76Å
983P32.8Very low37.6Very low51 Ų51107.2 Ų107.233%0.33159%0.589SS.*  trans-84.8138.7167.911.96.2000106.8G981 R985 L988G981-P983 WeakPolarHBondContact O-CD 3.44Å; P983-R985 PolarHBondContact O-N 2.92Å; P983-L988 HydrophobicContact CG-CD1 4.24Å
984R38.7Very low36.7Very low206 Ų206105.3 Ų105.378%0.77757%0.57SS**  trans-54.6130.6167.4-71.5179.1174.6-178.7-2.1107.2S986 Q987R984-S986 PolarHBondContact O-N 3.27Å; R984-Q987 PolarHBondContact O-N 3.07Å
985R38.7Very low36.5Very low219 Ų219108.5 Ų108.583%0.82658%0.58SS**Hα-helixtrans-39.1-27.4178.2-116.3175.9176.7-179.3-3.2113.9P983 V989P983-R985 PolarHBondContact O-N 2.92Å; R985-V989 WeakPolarHBondContact O-CG2 3.39Å
986S39.2Very low36.7Very low41 Ų41106 Ų10629%0.28756%0.56SS.*Hα-helixtrans-64-36176.259.30000115.6R984 V989 Q990R984-S986 PolarHBondContact O-N 3.27Å; S986-V989 PolarHBondContact O-N 3.41Å; S986-Q990 VanDerWaalsContact O-CG 3.28Å; S986-Q990 WeakPolarHBondContact O-CG 3.39Å; S986-Q990 PolarHBondContact O-N 3.37Å; S986-Q990 VanDerWaalsContact O-N 3.09Å
987Q34.4Very low37.4Very low116 Ų116103.4 Ų103.454%0.54254%0.541SS..Hα-helixtrans-74.5-34-171.2-75.3179.6-21.900113.7R984 E991R984-Q987 PolarHBondContact O-N 3.07Å; Q987-E991 PolarHBondContact O-N 3.02Å
988L39.1Very low37.6Very low107 Ų107101.6 Ų101.656%0.5652%0.522SS*.Hα-helixtrans-73-36.2175.3-90154.1000112.2P983 Q990 E991 V992P983-L988 HydrophobicContact CG-CD1 4.24Å; L988-Q990 VanDerWaalsContact C-N 3.33Å; L988-E991 PolarHBondContact O-N 2.76Å; L988-V992 WeakPolarHBondContact O-CG2 3.26Å; L988-V992 PolarHBondContact O-N 2.89Å
989V41.5Very low38.4Very low30 Ų3097.4 Ų97.418%0.18251%0.514CS..Hα-helixtrans-62.7-43.5173.5174.60000109.8R985 S986 E991 V992 V993R985-V989 WeakPolarHBondContact O-CG2 3.39Å; S986-V989 PolarHBondContact O-N 3.41Å; V989-E991 PolarHBondContact O-N 3.43Å; V989-V992 PolarHBondContact O-N 3.32Å; V989-V993 HydrophobicContact CG1-CG2 4.24Å; V989-V993 WeakPolarHBondContact O-CB 3.42Å; V989-V993 WeakPolarHBondContact O-CG2 3.48Å; V989-V993 PolarHBondContact O-N 3.12Å
990Q40.5Very low39.2Very low92 Ų9291.4 Ų91.443%0.4350%0.496SS..Hα-helixtrans-61.6-39.6176.4-75.4172.9-400113.3E599 S986 L988 R994E599-Q990 PolarHBondContact OE1-NE2 2.9Å; S986-Q990 VanDerWaalsContact O-CG 3.28Å; S986-Q990 WeakPolarHBondContact O-CG 3.39Å; S986-Q990 PolarHBondContact O-N 3.37Å; S986-Q990 VanDerWaalsContact O-N 3.09Å; L988-Q990 VanDerWaalsContact C-N 3.33Å; Q990-R994 VanDerWaalsContact O-CB 3.23Å; Q990-R994 WeakPolarHBondContact O-CB 3.29Å; Q990-R994 PolarHBondContact O-N 3.35Å
991E40.4Very low39.6Very low74 Ų7490.4 Ų90.435%0.34648%0.48SS..Hα-helixtrans-70.8-34.7-179.7-167.7160.6-164.300112.6Q987 L988 V989 R994 L995Q987-E991 PolarHBondContact O-N 3.02Å; L988-E991 PolarHBondContact O-N 2.76Å; V989-E991 PolarHBondContact O-N 3.43Å; E991-R994 PolarHBondContact O-N 2.76Å; E991-L995 VanDerWaalsContact O-CG 3.31Å; E991-L995 WeakPolarHBondContact O-CG 3.23Å; E991-L995 PolarHBondContact O-N 2.84Å
992V40.2Very low40.5Very low57 Ų5796.4 Ų96.435%0.34549%0.49SS..Hα-helixtrans-74.6-40.9175.5176.10000111.6L988 V989 R994 L995 A996L988-V992 WeakPolarHBondContact O-CG2 3.26Å; L988-V992 PolarHBondContact O-N 2.89Å; V989-V992 PolarHBondContact O-N 3.32Å; V992-R994 VanDerWaalsContact C-N 3.25Å; V992-R994 PolarHBondContact O-N 3.36Å; V992-L995 PolarHBondContact O-N 3.36Å; V992-A996 WeakPolarHBondContact O-CB 3.16Å; V992-A996 PolarHBondContact O-N 3.42Å
993V44.4Very low40.5Very low67 Ų6793.3 Ų93.341%0.40647%0.472SS..Hα-helixtrans-60.1-39.4171.6170.10000110.3V989 G997V989-V993 HydrophobicContact CG1-CG2 4.24Å; V989-V993 WeakPolarHBondContact O-CB 3.42Å; V989-V993 WeakPolarHBondContact O-CG2 3.48Å; V989-V993 PolarHBondContact O-N 3.12Å; V993-G997 WeakPolarHBondContact O-CA 3.03Å; V993-G997 PolarHBondContact O-N 3.08Å
994R44Very low40.7Very low128 Ų12894.9 Ų94.948%0.48349%0.489SS..Hα-helixtrans-64.7-45.9173.8-170.6-176.572.2103.2-4.4112.1Q990 E991 V992 G997 E998Q990-R994 VanDerWaalsContact O-CB 3.23Å; Q990-R994 WeakPolarHBondContact O-CB 3.29Å; Q990-R994 PolarHBondContact O-N 3.35Å; E991-R994 PolarHBondContact O-N 2.76Å; V992-R994 VanDerWaalsContact C-N 3.25Å; V992-R994 PolarHBondContact O-N 3.36Å; R994-G997 CarbonylContact O-C 3.55Å; R994-G997 PolarHBondContact O-N 3.05Å; R994-E998 HydrophobicContact CG-CG 4.39Å; R994-E998 WeakPolarHBondContact CG-OE1 3.4Å; R994-E998 IonicContact CZ-OE1 3.27Å; R994-E998 IonicContact NE-OE1 2.69Å; R994-E998 IonicContact NH1-OE1 3.46Å; R994-E998 PolarHBondContact NH1-OE1 3.41Å; R994-E998 IonicContact NH1-OE2 3.95Å; R994-E998 WeakPolarHBondContact O-CB 3.29Å; R994-E998 VanDerWaalsContact O-CG 3.25Å; R994-E998 WeakPolarHBondContact O-CG 3.49Å; R994-E998 PolarHBondContact O-N 3.4Å
995L42Very low40.6Very low96 Ų9693.9 Ų93.950%0.50349%0.485SS..Hα-helixtrans-67.1-39.3179.1-74.3167.9000112.7E991 V992 E998 A999E991-L995 VanDerWaalsContact O-CG 3.31Å; E991-L995 WeakPolarHBondContact O-CG 3.23Å; E991-L995 PolarHBondContact O-N 2.84Å; V992-L995 PolarHBondContact O-N 3.36Å; L995-E998 PolarHBondContact O-N 3.09Å; L995-A999 WeakPolarHBondContact O-CB 3.17Å; L995-A999 PolarHBondContact O-N 2.73Å
996A40.2Very low40.9Very low55 Ų5591 Ų9146%0.45547%0.474SS..Hα-helixtrans-66-4117300000111.3V992 A999 Q1000V992-A996 WeakPolarHBondContact O-CB 3.16Å; V992-A996 PolarHBondContact O-N 3.42Å; A996-A999 PolarHBondContact O-N 3.45Å; A996-Q1000 WeakPolarHBondContact O-CB 3.49Å; A996-Q1000 PolarHBondContact O-N 2.7Å
997G41.4Very low40.8Very low29 Ų2994.4 Ų94.430%0.29950%0.496SS..Hα-helixtrans-63.9-41.3173.400000113.2V993 R994 Q1000 E1001V993-G997 WeakPolarHBondContact O-CA 3.03Å; V993-G997 PolarHBondContact O-N 3.08Å; R994-G997 CarbonylContact O-C 3.55Å; R994-G997 PolarHBondContact O-N 3.05Å; G997-Q1000 CarbonylContact O-C 3.53Å; G997-Q1000 PolarHBondContact O-N 3.49Å; G997-E1001 PolarHBondContact O-N 2.89Å
998E41.7Very low41Very low80 Ų8097.5 Ų97.537%0.37451%0.51SS..Hα-helixtrans-69.3-35178.1-78.2174.4-176.300112.4R994 L995 K1002R994-E998 HydrophobicContact CG-CG 4.39Å; R994-E998 WeakPolarHBondContact CG-OE1 3.4Å; R994-E998 IonicContact CZ-OE1 3.27Å; R994-E998 IonicContact NE-OE1 2.69Å; R994-E998 IonicContact NH1-OE1 3.46Å; R994-E998 PolarHBondContact NH1-OE1 3.41Å; R994-E998 IonicContact NH1-OE2 3.95Å; R994-E998 WeakPolarHBondContact O-CB 3.29Å; R994-E998 VanDerWaalsContact O-CG 3.25Å; R994-E998 WeakPolarHBondContact O-CG 3.49Å; R994-E998 PolarHBondContact O-N 3.4Å; L995-E998 PolarHBondContact O-N 3.09Å; E998-K1002 PolarHBondContact O-N 3.49Å
999A43.2Very low41.1Very low66 Ų6696.1 Ų96.155%0.54550%0.503SS..Hα-helixtrans-67.3-36.517100000111.7L995 A996 A1003L995-A999 WeakPolarHBondContact O-CB 3.17Å; L995-A999 PolarHBondContact O-N 2.73Å; A996-A999 PolarHBondContact O-N 3.45Å; A999-A1003 PolarHBondContact O-N 3.29Å
1000Q42.3Very low41.4Very low104 Ų10497.1 Ų97.149%0.48651%0.511SS..Hα-helixtrans-76.7-37.7176.6-92.2-177.8-28.900114A996 G997 K1002 A1003 A1004A996-Q1000 WeakPolarHBondContact O-CB 3.49Å; A996-Q1000 PolarHBondContact O-N 2.7Å; G997-Q1000 CarbonylContact O-C 3.53Å; G997-Q1000 PolarHBondContact O-N 3.49Å; Q1000-K1002 PolarHBondContact O-N 2.8Å; Q1000-A1003 CarbonylContact O-C 3.6Å; Q1000-A1003 WeakPolarHBondContact O-CA 3.1Å; Q1000-A1003 WeakPolarHBondContact O-CB 3.3Å; Q1000-A1003 PolarHBondContact O-N 3.26Å; Q1000-A1004 WeakPolarHBondContact O-CB 3.3Å; Q1000-A1004 PolarHBondContact O-N 2.9Å
1001E39.9Very low41.7Very low104 Ų104100.5 Ų100.549%0.48653%0.525SS..Hα-helixtrans-63.5-33.5175.5-111.2-161130.300111G997 A1003 R1005G997-E1001 PolarHBondContact O-N 2.89Å; E1001-A1003 VanDerWaalsContact C-N 3.31Å; E1001-R1005 WeakPolarHBondContact O-CB 3.4Å; E1001-R1005 WeakPolarHBondContact O-CG 3.36Å; E1001-R1005 PolarHBondContact O-N 3.46Å; E1001-R1005 IonicContact OE1-CZ 3.14Å; E1001-R1005 IonicContact OE1-NE 2.77Å; E1001-R1005 PolarHBondContact OE1-NE 3.11Å; E1001-R1005 IonicContact OE1-NH2 3.49Å; E1001-R1005 PolarHBondContact OE1-NH2 3.46Å
1002K46.2Very low41.7Very low183 Ų183104.4 Ų104.480%0.79654%0.543SS*.Hα-helixtrans-67.5-28.6169.6-83.1-179.6175.91750113.3E998 Q1000E998-K1002 PolarHBondContact O-N 3.49Å; Q1000-K1002 PolarHBondContact O-N 2.8Å
1003A40.5Very low41.7Very low55 Ų55106.1 Ų106.146%0.45555%0.547SS..Hα-helixtrans-82.8-32.1175.200000113A999 Q1000 E1001A999-A1003 PolarHBondContact O-N 3.29Å; Q1000-A1003 CarbonylContact O-C 3.6Å; Q1000-A1003 WeakPolarHBondContact O-CA 3.1Å; Q1000-A1003 WeakPolarHBondContact O-CB 3.3Å; Q1000-A1003 PolarHBondContact O-N 3.26Å; E1001-A1003 VanDerWaalsContact C-N 3.31Å
1004A35.7Very low41.8Very low83 Ų83110.3 Ų110.369%0.68656%0.555SS**Hα-helixtrans-86.6-26.3-176.200000113.6Q1000 R1006Q1000-A1004 WeakPolarHBondContact O-CB 3.3Å; Q1000-A1004 PolarHBondContact O-N 2.9Å; A1004-R1006 PolarHBondContact O-N 3.4Å
1005R37.5Very low41.6Very low185 Ų185109.4 Ų109.470%0.69856%0.557SS**  trans-79.970.4170.1-69.2-177.1-172.9-169.46110.7E1001E1001-R1005 WeakPolarHBondContact O-CB 3.4Å; E1001-R1005 WeakPolarHBondContact O-CG 3.36Å; E1001-R1005 PolarHBondContact O-N 3.46Å; E1001-R1005 IonicContact OE1-CZ 3.14Å; E1001-R1005 IonicContact OE1-NE 2.77Å; E1001-R1005 PolarHBondContact OE1-NE 3.11Å; E1001-R1005 IonicContact OE1-NH2 3.49Å; E1001-R1005 PolarHBondContact OE1-NH2 3.46Å
1006R45.1Very low41.4Very low158 Ų158110.8 Ų110.860%0.59656%0.559SS**  trans-104.9133.1162.9-73.3-177.6177.41800.6108.8A1004A1004-R1006 PolarHBondContact O-N 3.4Å
1007P37.8Very low41.4Very low113 Ų113118.2 Ų118.273%0.73458%0.575SS**PPolyproline II helixtrans-65.7138.717027.1-30.4000109.2L1009P1007-L1009 PolarHBondContact O-N 3.22Å; P1007-L1009 VanDerWaalsContact O-N 3.14Å
1008E37.3Very low41.5Very low182 Ų182125 Ų12585%0.8560%0.599SS**PPolyproline II helixtrans-60.3117.9170.7-76.3-168.6143.700109.1S1010E1008-S1010 PolarHBondContact O-N 2.94Å
1009L42.5Very low41.4Very low77 Ų77124.7 Ų124.740%0.40361%0.606SS.*PPolyproline II helixtrans-61.9130.3175.4-70165.6000109.4P1007 E1013 R1014P1007-L1009 PolarHBondContact O-N 3.22Å; P1007-L1009 VanDerWaalsContact O-N 3.14Å; L1009-E1013 WeakPolarHBondContact CA-OE2 3.23Å; L1009-E1013 HydrophobicContact CB-CB 4.15Å; L1009-E1013 HydrophobicContact CD2-CB 4.04Å; L1009-E1013 HydrophobicContact CD2-CG 4.45Å; L1009-R1014 HydrophobicContact CB-CG 4.42Å
1010S47.2Very low41Very low52 Ų52130.9 Ų130.936%0.36462%0.615SS.*PPolyproline II helixtrans-59.9157176.263.80000111E1008 E1012 E1013 R1014E1008-S1010 PolarHBondContact O-N 2.94Å; S1010-E1012 PolarHBondContact O-N 3.37Å; S1010-E1012 VanDerWaalsContact O-N 3.14Å; S1010-E1013 PolarHBondContact N-OE2 3.42Å; S1010-E1013 PolarHBondContact O-N 3.13Å; S1010-E1013 WeakPolarHBondContact OG-CG 3.46Å; S1010-E1013 PolarHBondContact OG-N 3.49Å; S1010-E1013 PolarHBondContact OG-OE2 3.5Å; S1010-R1014 PolarHBondContact O-N 3.08Å; S1010-R1014 VanDerWaalsContact O-N 3.1Å
1011K45.7Very low41.2Very low163 Ų163132.2 Ų132.271%0.70963%0.63SS**Hα-helixtrans-55.8-33.6179.8-159.8-179178.5-170.90111.8R1014 E1015K1011-R1014 PolarHBondContact O-N 2.9Å; K1011-E1015 PolarHBondContact O-N 3.14Å
1012E40.9Very low41.2Very low156 Ų156131 Ų13173%0.72963%0.632SS**Hα-helixtrans-70.7-33.3177.4-67.5166.3174.700112.6S1010 F1016S1010-E1012 PolarHBondContact O-N 3.37Å; S1010-E1012 VanDerWaalsContact O-N 3.14Å; E1012-F1016 WeakPolarHBondContact O-CB 3.35Å; E1012-F1016 PolarHBondContact O-N 3.4Å
1013E40.3Very low41Very low92 Ų92127.4 Ų127.443%0.4362%0.621SS.*Hα-helixtrans-75.3-29.4173.9-73.1167.4132.500112.8L1009 S1010 R1017L1009-E1013 WeakPolarHBondContact CA-OE2 3.23Å; L1009-E1013 HydrophobicContact CB-CB 4.15Å; L1009-E1013 HydrophobicContact CD2-CB 4.04Å; L1009-E1013 HydrophobicContact CD2-CG 4.45Å; S1010-E1013 PolarHBondContact N-OE2 3.42Å; S1010-E1013 PolarHBondContact O-N 3.13Å; S1010-E1013 WeakPolarHBondContact OG-CG 3.46Å; S1010-E1013 PolarHBondContact OG-N 3.49Å; S1010-E1013 PolarHBondContact OG-OE2 3.5Å; E1013-R1017 PolarHBondContact O-N 2.95Å
1014R45.7Very low41.1Very low155 Ų155131.3 Ų131.359%0.58563%0.633SS**Hα-helixtrans-69.1-41.9171.1-69.7-177-177.2-174.80.3111.3L1009 S1010 K1011 Q1018L1009-R1014 HydrophobicContact CB-CG 4.42Å; S1010-R1014 PolarHBondContact O-N 3.08Å; S1010-R1014 VanDerWaalsContact O-N 3.1Å; K1011-R1014 PolarHBondContact O-N 2.9Å; R1014-Q1018 WeakPolarHBondContact O-CG 3.48Å; R1014-Q1018 PolarHBondContact O-N 3.22Å
1015E40.5Very low41.4Very low109 Ų109135.8 Ų135.851%0.50963%0.634SS.*Hα-helixtrans-68-40.2175.4-76.4174.1-175.700111.4K1011 R1017 Q1018 S1019K1011-E1015 PolarHBondContact O-N 3.14Å; E1015-R1017 PolarHBondContact O-N 2.95Å; E1015-Q1018 PolarHBondContact O-N 3.13Å; E1015-Q1018 VanDerWaalsContact O-N 3.09Å; E1015-S1019 PolarHBondContact O-N 3.4Å; E1015-S1019 PolarHBondContact O-OG 3.09Å; E1015-S1019 VanDerWaalsContact O-OG 3.05Å
1016F37.1Very low41.6Very low126 Ų126129 Ų12955%0.55362%0.615SS**Hα-helixtrans-64-35.5177.7-171.8-100.4000113.6E1012 Q1018 S1019E1012-F1016 WeakPolarHBondContact O-CB 3.35Å; E1012-F1016 PolarHBondContact O-N 3.4Å; F1016-Q1018 VanDerWaalsContact C-N 3.34Å; F1016-S1019 PolarHBondContact O-N 2.97Å
1017R41.6Very low41.6Very low211 Ų211125.6 Ų125.680%0.79661%0.608SS**Hα-helixtrans-76.5-18.4174.3-79.7-169.2167.3-164.6-3.5113.9E1013 E1015E1013-R1017 PolarHBondContact O-N 2.95Å; E1015-R1017 PolarHBondContact O-N 2.95Å
1018Q42.3Very low42Very low171 Ų171124.8 Ų124.880%0.79960%0.597SS**Hα-helixtrans-87.8-15.8172-75.3-179.5-15.700112.8R1014 E1015 F1016R1014-Q1018 WeakPolarHBondContact O-CG 3.48Å; R1014-Q1018 PolarHBondContact O-N 3.22Å; E1015-Q1018 PolarHBondContact O-N 3.13Å; E1015-Q1018 VanDerWaalsContact O-N 3.09Å; F1016-Q1018 VanDerWaalsContact C-N 3.34Å
1019S40.8Very low42.3Very low73 Ų73120.7 Ų120.751%0.5158%0.578SS.*  trans-12473.9-175.8710000113.1E1015 F1016E1015-S1019 PolarHBondContact O-N 3.4Å; E1015-S1019 PolarHBondContact O-OG 3.09Å; E1015-S1019 VanDerWaalsContact O-OG 3.05Å; F1016-S1019 PolarHBondContact O-N 2.97Å
1020R34.3Very low42.3Very low196 Ų196123.3 Ų123.374%0.7459%0.588SS**SBendtrans-150.1100.8142.2-75.6-152.4170.7169.3-2.4113.2
1021T45.7Very low42.3Very low132 Ų132125.4 Ų125.481%0.8159%0.594SS**  trans71.7141.8149.1500000119.4
1022P39.8Very low42.2Very low79 Ų79125.2 Ų125.251%0.51359%0.589SS.*  trans-71.1136.2-167.427.3-28.2000110.3S1026 L1027P1022-S1026 WeakPolarHBondContact CA-OG 3.47Å; P1022-S1026 WeakPolarHBondContact CB-OG 3.35Å; P1022-L1027 HydrophobicContact CG-CD1 4.14Å
1023N43.3Very low42.2Very low107 Ų107124.6 Ų124.657%0.57259%0.586SS**  trans-63.9157.9167.776.816.6000108.6Y1025 S1026 L1027N1023-Y1025 PolarHBondContact O-N 3.45Å; N1023-Y1025 WeakPolarHBondContact OD1-CA 3.5Å; N1023-Y1025 WeakPolarHBondContact OD1-CB 3.18Å; N1023-Y1025 PolarHBondContact OD1-N 2.98Å; N1023-S1026 PolarHBondContact N-OG 3.46Å; N1023-S1026 VanDerWaalsContact N-OG 3.12Å; N1023-S1026 PolarHBondContact O-N 2.98Å; N1023-S1026 PolarHBondContact O-OG 3.25Å; N1023-S1026 PolarHBondContact OD1-N 3.08Å; N1023-S1026 PolarHBondContact OD1-OG 3.46Å; N1023-L1027 PolarHBondContact O-N 3.47Å
1024L41.6Very low42.2Very low137 Ų137126.5 Ų126.572%0.71760%0.598SS**Hα-helixtrans-51-26.2177.5-172.468.9000112.6L1028L1024-L1028 HydrophobicContact CG-CD1 3.97Å; L1024-L1028 HydrophobicContact CG-CG 4.47Å; L1024-L1028 VanDerWaalsContact O-CB 3.31Å; L1024-L1028 WeakPolarHBondContact O-CB 3.32Å; L1024-L1028 WeakPolarHBondContact O-CD1 3.36Å; L1024-L1028 WeakPolarHBondContact O-CG 3.44Å; L1024-L1028 PolarHBondContact O-N 2.9Å
1025Y42.3Very low42Very low178 Ų178123 Ų12370%0.69860%0.603SS**Hα-helixtrans-67.8-42.7177.4-121.9-93000113N1023 L1028 E1029N1023-Y1025 PolarHBondContact O-N 3.45Å; N1023-Y1025 WeakPolarHBondContact OD1-CA 3.5Å; N1023-Y1025 WeakPolarHBondContact OD1-CB 3.18Å; N1023-Y1025 PolarHBondContact OD1-N 2.98Å; Y1025-L1028 PolarHBondContact O-N 2.97Å; Y1025-E1029 PolarHBondContact O-N 3.43Å
1026S41.8Very low42.1Very low42 Ų42124.9 Ų124.929%0.29462%0.615SS.*Hα-helixtrans-68.2-34.8174.521.20000112.9P1022 N1023 E1029 E1030P1022-S1026 WeakPolarHBondContact CA-OG 3.47Å; P1022-S1026 WeakPolarHBondContact CB-OG 3.35Å; N1023-S1026 PolarHBondContact N-OG 3.46Å; N1023-S1026 VanDerWaalsContact N-OG 3.12Å; N1023-S1026 PolarHBondContact O-N 2.98Å; N1023-S1026 PolarHBondContact O-OG 3.25Å; N1023-S1026 PolarHBondContact OD1-N 3.08Å; N1023-S1026 PolarHBondContact OD1-OG 3.46Å; S1026-E1029 PolarHBondContact O-N 3.24Å; S1026-E1030 PolarHBondContact O-N 3.05Å
1027L44.9Very low42.4Very low87 Ų87126.5 Ų126.546%0.45563%0.627SS.*Hα-helixtrans-71.9-32.3174.6-136.2125.3000111.6P1022 N1023 I1031P1022-L1027 HydrophobicContact CG-CD1 4.14Å; N1023-L1027 PolarHBondContact O-N 3.47Å; L1027-I1031 HydrophobicContact CD2-CD1 4.32Å; L1027-I1031 WeakPolarHBondContact O-CD1 3.26Å; L1027-I1031 WeakPolarHBondContact O-CG1 3.1Å; L1027-I1031 PolarHBondContact O-N 2.95Å; L1027-I1031 VanDerWaalsContact O-N 3.12Å
1028L45.9Very low42.7Very low95 Ų95122 Ų12250%0.49762%0.618SS.*Hα-helixtrans-74.8-29172.8-72.9167.9000112.4L1024 Y1025 R1032L1024-L1028 HydrophobicContact CG-CD1 3.97Å; L1024-L1028 HydrophobicContact CG-CG 4.47Å; L1024-L1028 VanDerWaalsContact O-CB 3.31Å; L1024-L1028 WeakPolarHBondContact O-CB 3.32Å; L1024-L1028 WeakPolarHBondContact O-CD1 3.36Å; L1024-L1028 WeakPolarHBondContact O-CG 3.44Å; L1024-L1028 PolarHBondContact O-N 2.9Å; Y1025-L1028 PolarHBondContact O-N 2.97Å; L1028-R1032 VanDerWaalsContact O-CB 3.31Å; L1028-R1032 WeakPolarHBondContact O-CB 3.39Å; L1028-R1032 PolarHBondContact O-N 3.39Å
1029E44.1Very low42.8Very low96 Ų96119 Ų11945%0.44961%0.614SS.*Hα-helixtrans-71.2-40.3170.4-94.9-174.3149.900112.5Y1025 S1026 I1031 R1032 E1033Y1025-E1029 PolarHBondContact O-N 3.43Å; S1026-E1029 PolarHBondContact O-N 3.24Å; E1029-I1031 VanDerWaalsContact C-N 3.35Å; E1029-I1031 PolarHBondContact O-N 3.31Å; E1029-R1032 WeakPolarHBondContact O-CB 3.12Å; E1029-R1032 PolarHBondContact O-N 3.37Å; E1029-R1032 VanDerWaalsContact O-N 3.13Å; E1029-R1032 IonicContact OE1-NH2 3.5Å; E1029-E1033 PolarHBondContact O-N 2.82Å
1030E42.6Very low43Very low132 Ų132121.9 Ų121.962%0.61762%0.624SS**Hα-helixtrans-63.4-39.1172.3-100.2-178.616300112.1S1026 R1032 E1033 L1034S1026-E1030 PolarHBondContact O-N 3.05Å; E1030-R1032 VanDerWaalsContact C-N 3.31Å; E1030-R1032 PolarHBondContact O-N 3.03Å; E1030-E1033 PolarHBondContact O-N 2.7Å; E1030-L1034 WeakPolarHBondContact O-CB 3.19Å; E1030-L1034 VanDerWaalsContact O-CG 3.31Å; E1030-L1034 WeakPolarHBondContact O-CG 3.46Å; E1030-L1034 PolarHBondContact O-N 3.17Å
1031I48.1Very low43.4Very low97 Ų97116 Ų11650%0.49762%0.617SS.*Hα-helixtrans-67.5-32.8173.4-68.4166.4000111.2L1027 E1029 A1035L1027-I1031 HydrophobicContact CD2-CD1 4.32Å; L1027-I1031 WeakPolarHBondContact O-CD1 3.26Å; L1027-I1031 WeakPolarHBondContact O-CG1 3.1Å; L1027-I1031 PolarHBondContact O-N 2.95Å; L1027-I1031 VanDerWaalsContact O-N 3.12Å; E1029-I1031 VanDerWaalsContact C-N 3.35Å; E1029-I1031 PolarHBondContact O-N 3.31Å; I1031-A1035 WeakPolarHBondContact O-CB 3.14Å; I1031-A1035 PolarHBondContact O-N 3.08Å; I1031-A1035 VanDerWaalsContact O-N 3.12Å
1032R42Very low43Very low158 Ų158113.6 Ų113.660%0.59661%0.61SS**Hα-helixtrans-69.4-36.8175.3-165.6-178.682.1-166.5-2.2112.1L1028 E1029 E1030L1028-R1032 VanDerWaalsContact O-CB 3.31Å; L1028-R1032 WeakPolarHBondContact O-CB 3.39Å; L1028-R1032 PolarHBondContact O-N 3.39Å; E1029-R1032 WeakPolarHBondContact O-CB 3.12Å; E1029-R1032 PolarHBondContact O-N 3.37Å; E1029-R1032 VanDerWaalsContact O-N 3.13Å; E1029-R1032 IonicContact OE1-NH2 3.5Å; E1030-R1032 VanDerWaalsContact C-N 3.31Å; E1030-R1032 PolarHBondContact O-N 3.03Å
1033E41.2Very low43Very low144 Ų144114.3 Ų114.367%0.67362%0.623SS**Hα-helixtrans-76.2-33175.5-68.5-148.4159.900112.8E1029 E1030 A1035 L1036E1029-E1033 PolarHBondContact O-N 2.82Å; E1030-E1033 PolarHBondContact O-N 2.7Å; E1033-A1035 VanDerWaalsContact C-N 3.3Å; E1033-A1035 PolarHBondContact O-N 3.24Å; E1033-L1036 PolarHBondContact O-N 3.1Å
1034L41.6Very low43Very low131 Ų131119.9 Ų119.969%0.68664%0.636SS**Hα-helixtrans-71.6-22.4174.3-74.8165.8000113.4E1030 L1036E1030-L1034 WeakPolarHBondContact O-CB 3.19Å; E1030-L1034 VanDerWaalsContact O-CG 3.31Å; E1030-L1034 WeakPolarHBondContact O-CG 3.46Å; E1030-L1034 PolarHBondContact O-N 3.17Å; L1034-L1036 PolarHBondContact O-N 3.35Å
1035A40.9Very low42.8Very low82 Ų82117.4 Ų117.468%0.67864%0.635SS**THydrogen-bonded Turntrans-75.6-2.4175.300000114I1031 E1033I1031-A1035 WeakPolarHBondContact O-CB 3.14Å; I1031-A1035 PolarHBondContact O-N 3.08Å; I1031-A1035 VanDerWaalsContact O-N 3.12Å; E1033-A1035 VanDerWaalsContact C-N 3.3Å; E1033-A1035 PolarHBondContact O-N 3.24Å
1036L43.1Very low42.7Very low148 Ų148112.7 Ų112.778%0.77564%0.641SS**THydrogen-bonded Turntrans-99.610.1178.4-74.7163.9000113.9E1033 L1034E1033-L1036 PolarHBondContact O-N 3.1Å; L1034-L1036 PolarHBondContact O-N 3.35Å
1037M43.5Very low42.7Very low161 Ų161116.5 Ų116.579%0.79366%0.663SS**SBendtrans-115.4133.1177.6-71.7-94.1179.500111.9
1038D46.1Very low42.4Very low115 Ų115118.6 Ų118.662%0.61568%0.679SS**  trans-40129.2-175.7-155-14.2000115.3D1040 A1041D1038-D1040 PolarHBondContact O-N 3Å; D1038-A1041 PolarHBondContact O-N 2.91Å
1039P45.6Very low41.6Very low110 Ų110122.5 Ų122.571%0.71470%0.696SS**G310 helixtrans-60.1-12.9-176.518.5-31.9000116.5A1041P1039-A1041 VanDerWaalsContact C-N 3.27Å; P1039-A1041 PolarHBondContact O-N 3.5Å
1040D45.5Very low41.2Very low133 Ų133126.2 Ų126.271%0.71174%0.744SS**G310 helixtrans-75.5-9.7179.3-84.4-19.9000114.4D1038D1038-D1040 PolarHBondContact O-N 3Å
1041A41.1Very low41.1Very low73 Ų73125.9 Ų125.960%0.60375%0.75SS**G310 helixtrans-82.7-21.8178.500000114D1038 P1039 A1043D1038-A1041 PolarHBondContact O-N 2.91Å; P1039-A1041 VanDerWaalsContact C-N 3.27Å; P1039-A1041 PolarHBondContact O-N 3.5Å; A1041-A1043 PolarHBondContact O-N 3.25Å
1042A39.1Very low40.7Very low80 Ų80127.4 Ų127.466%0.66176%0.763SS**G310 helixtrans-76.5-18.4-172.800000114.4R1044A1042-R1044 VanDerWaalsContact C-N 3.27Å; A1042-R1044 PolarHBondContact O-N 2.78Å
1043A39.5Very low40.6Very low94 Ų94125.7 Ų125.778%0.77777%0.772SS**G310 helixtrans-75.8-8.5-178.200000114.5A1041A1041-A1043 PolarHBondContact O-N 3.25Å
1044R43.6Very low40.6Very low224 Ų224124.6 Ų124.685%0.84578%0.778SS**G310 helixtrans-101.2-6.2-177.9-64.1-172.2-145.5-169.66.8115.2A1042A1042-R1044 VanDerWaalsContact C-N 3.27Å; A1042-R1044 PolarHBondContact O-N 2.78Å
1045A35.8Very low40.6Very low85 Ų85124.3 Ų124.370%0.70278%0.784SS**SBendtrans-1075.5-174.400000114.7T1047A1045-T1047 PolarHBondContact O-N 3.08Å
1046G40.2Very low40.5Very low80 Ų80127.1 Ų127.183%0.82579%0.791SS**  trans-7812.3178.200000115.7
1047T42.2Very low40.3Very low121 Ų121125.6 Ų125.674%0.74279%0.792SS**SBendtrans-125.8121.5179.8-21.90000108.5A1045A1045-T1047 PolarHBondContact O-N 3.08Å
1048V39Very low40.1Very low131 Ų131122.8 Ų122.879%0.79479%0.792SS**SBendtrans98.486.4178.1-168.10000114.1
1049M29.8Very low39.6Very low177 Ų177123.5 Ų123.587%0.87281%0.807SS**  trans150.2107.8138.9-81.3-169.1-130.300108.2
1050A33.9Very low39.1Very low174 Ų174124.7 Ų124.7100%1.43882%0.816SS**  cis49.6018.700000115.1

Retrieved 1,050 of 1,050 residues in 357.4 ms (Link to these results)

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