A0A077YW81_TRITR Loading...

General transcription factor IIH subunit 1

AlphaFold DB , UniProt , Accession A0A077YW81, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 546 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
1M32.1Very low44.1Very low198 Ų198134.6 Ų134.698%0.97566%0.655SS**  052.30-76.5-169.7-178.600111.6K3 D231M1-K3 VanDerWaalsContact C-N 3.26Å; M1-K3 PolarHBondContact O-N 3.38Å; M1-D231 WeakPolarHBondContact CA-OD2 3.46Å; M1-D231 PolarHBondContact N-OD1 3.4Å; M1-D231 PolarHBondContact N-OD2 3.4Å
2E27.1Very low45.8Very low97 Ų97139 Ų13945%0.45367%0.668SS.*  trans-80.886.9155.4-78.6-165.9146.500107.3V4 D231E2-V4 HydrophobicContact CB-CG2 4.17Å; E2-V4 PolarHBondContact O-N 2.95Å; E2-D231 VanDerWaalsContact N-CG 3.26Å; E2-D231 PolarHBondContact N-OD1 3.11Å; E2-D231 PolarHBondContact N-OD2 2.85Å
3K29Very low47.8Very low198 Ų198133.5 Ų133.586%0.86165%0.645SS**  trans-65.373.7151.9-80.2-179175.3177.40106.6M1 S5M1-K3 VanDerWaalsContact C-N 3.26Å; M1-K3 PolarHBondContact O-N 3.38Å; K3-S5 PolarHBondContact O-N 3.11Å
4V33.9Very low49.9Very low101 Ų101126.9 Ų126.961%0.61262%0.616SS**  trans-52.6115.9160.5176.90000104.6E2 L6E2-V4 HydrophobicContact CB-CG2 4.17Å; E2-V4 PolarHBondContact O-N 2.95Å; V4-L6 VanDerWaalsContact C-N 3.28Å; V4-L6 PolarHBondContact O-N 2.89Å
5S31.8Very low52Low101 Ų101123.3 Ų123.371%0.70660%0.6SS**  trans-47.891.6-179.8-44.90000109.3K3 Q7K3-S5 PolarHBondContact O-N 3.11Å; S5-Q7 PolarHBondContact O-N 3.23Å
6L42.3Very low53.9Low94 Ų94118.7 Ų118.749%0.49258%0.578SS.*  trans-69.385.1172.7-82.5142.9000105.9V4 R8 L48 C51V4-L6 VanDerWaalsContact C-N 3.28Å; V4-L6 PolarHBondContact O-N 2.89Å; L6-R8 PolarHBondContact O-N 3.14Å; L6-L48 HydrophobicContact CB-CB 4.13Å; L6-L48 WeakPolarHBondContact CD1-O 3.27Å; L6-L48 HydrophobicContact CD2-CB 3.65Å; L6-L48 HydrophobicContact CD2-CD2 4.43Å; L6-L48 HydrophobicContact CG-CB 4.32Å; L6-C51 HydrophobicContact CD2-CB 4.11Å
7Q49.9Very low55.8Low142 Ų142121.5 Ų121.566%0.66458%0.582SS**  trans-47.9133.4-179.5-76.1176.4-23.800109.1S5 I9S5-Q7 PolarHBondContact O-N 3.23Å; Q7-I9 PolarHBondContact O-N 2.99Å
8R54.2Low57.4Low235 Ų235114.9 Ų114.989%0.88755%0.551SS**  trans-45.7137.8172-83.4179.7173.5165.6-2.5109.3L6 D10L6-R8 PolarHBondContact O-N 3.14Å; R8-D10 PolarHBondContact O-N 3.36Å
9I59.9Low58.8Low28 Ų28110.1 Ų110.114%0.14453%0.534CS..  trans-63.8118169.7-52.8-176.8000106.3Q7 E11 V14 Y32 T34 A39 L48Q7-I9 PolarHBondContact O-N 2.99Å; I9-E11 PolarHBondContact O-N 3.4Å; I9-V14 HydrophobicContact CG2-CG2 3.27Å; I9-Y32 HydrophobicContact CD1-CD1 3.89Å; I9-Y32 HydrophobicContact CD1-CD2 3.37Å; I9-Y32 HydrophobicContact CD1-CE1 4.41Å; I9-Y32 HydrophobicContact CD1-CE2 3.95Å; I9-Y32 HydrophobicContact CD1-CG 3.34Å; I9-T34 HydrophobicContact CG2-CG2 4.01Å; I9-A39 HydrophobicContact CD1-CB 3.91Å; I9-L48 HydrophobicContact CD1-CD1 4.36Å; I9-L48 HydrophobicContact CD1-CD2 4.4Å; I9-L48 HydrophobicContact CD1-CG 4.35Å; I9-L48 HydrophobicContact CG1-CD1 3.88Å; I9-L48 HydrophobicContact CG1-CD2 4.18Å; I9-L48 HydrophobicContact CG1-CG 4.28Å
10D62.5Low60Low108 Ų108109.8 Ų109.858%0.57853%0.528SS*.  trans-71.8119.4174.6-140.5-16.8000107.4R8 K12 D13R8-D10 PolarHBondContact O-N 3.36Å; D10-K12 PolarHBondContact O-N 3.25Å; D10-D13 PolarHBondContact O-N 2.57Å
11E62.9Low61.3Low179 Ų179104.5 Ų104.584%0.83650%0.503SS*.G310 helixtrans-59-22.2-171.9-70-179.1166.600112.5I9 D13I9-E11 PolarHBondContact O-N 3.4Å; E11-D13 VanDerWaalsContact C-N 3.32Å; E11-D13 PolarHBondContact O-N 3.17Å
12K63.9Low63.8Low187 Ų18798 Ų9881%0.81347%0.471SS*.G310 helixtrans-71.9-22.6177.3-63.6-174.5178.5176.90114D10D10-K12 PolarHBondContact O-N 3.25Å
13D72.6Confident66.3Low68 Ų6893.7 Ų93.736%0.36445%0.452SS..G310 helixtrans-97.6-4.8-176-76.6-14.5000113.3D10 E11 T34 Q35D10-D13 PolarHBondContact O-N 2.57Å; E11-D13 VanDerWaalsContact C-N 3.32Å; E11-D13 PolarHBondContact O-N 3.17Å; D13-T34 WeakPolarHBondContact O-CA 3.41Å; D13-T34 VanDerWaalsContact O-CB 3.3Å; D13-T34 WeakPolarHBondContact O-CB 3.44Å; D13-Q35 PolarHBondContact O-N 3.39Å
14V76.9Confident68.4Low40 Ų4093.1 Ų93.124%0.24245%0.45CS..EExtended strand (participates in β ladder)trans-80.4121.2-179.7-175.80000110.1I9 Y32 T34I9-V14 HydrophobicContact CG2-CG2 3.27Å; V14-Y32 HydrophobicContact CG1-CD1 4.15Å; V14-Y32 HydrophobicContact CG2-CD1 4.39Å; V14-T34 HydrophobicContact CG2-CG2 4.39Å
15I80.9Confident70.1Confident74 Ų7497 Ų9738%0.37946%0.458SS..EExtended strand (participates in β ladder)trans-94.1-39.8178.8-54.4174.7000110V33 Q35 L114 M118I15-V33 PolarHBondContact N-O 3.17Å; I15-Q35 HydrophobicContact CD1-CB 4.48Å; I15-Q35 HydrophobicContact CD1-CG 3.81Å; I15-Q35 HydrophobicContact CG1-CG 4.14Å; I15-L114 HydrophobicContact CB-CD2 4.32Å; I15-L114 HydrophobicContact CG2-CD1 4.03Å; I15-L114 HydrophobicContact CG2-CD2 3.92Å; I15-M118 HydrophobicContact CD1-CE 3.18Å; I15-M118 HydrophobicContact CD1-SD 4.27Å
16M83.1Confident71.9Confident49 Ų4995.3 Ų95.324%0.24144%0.439CS..EExtended strand (participates in β ladder)trans-150.7143.3-179.8-169.8-175178.800109.4V18 V33 V111 L114M16-V18 HydrophobicContact CE-CG2 3.55Å; M16-V18 HydrophobicContact CG-CG2 4.42Å; M16-V18 HydrophobicContact SD-CG2 4.3Å; M16-V33 HydrophobicContact CB-CB 4.4Å; M16-V33 PolarHBondContact N-O 3.43Å; M16-V33 PolarHBondContact O-N 2.99Å; M16-V111 HydrophobicContact CE-CG2 4.22Å; M16-V111 HydrophobicContact SD-CG2 4.02Å; M16-L114 HydrophobicContact CB-CD2 3.84Å; M16-L114 HydrophobicContact SD-CD2 4.4Å
17Y86.3Confident73.8Confident166 Ų16692.4 Ų92.465%0.65143%0.431SS*.EExtended strand (participates in β ladder)trans-127142.3166.465.1-87.9000109.9T30 L31Y17-T30 HydrophobicContact CD2-CG2 4.45Å; Y17-L31 CarbonylContact C-O 3.48Å; Y17-L31 WeakPolarHBondContact CA-O 3.39Å
18V84.5Confident75.4Confident4 Ų489 Ų892%0.02442%0.417CS..EExtended strand (participates in β ladder)trans-127.1116.3178.5-176.90000108.2M16 V21 T30 L31 F95 E107 V111M16-V18 HydrophobicContact CE-CG2 3.55Å; M16-V18 HydrophobicContact CG-CG2 4.42Å; M16-V18 HydrophobicContact SD-CG2 4.3Å; V18-V21 HydrophobicContact CB-CG2 4.13Å; V18-V21 HydrophobicContact CG1-CG2 3.77Å; V18-T30 CarbonylContact O-C 3.54Å; V18-T30 WeakPolarHBondContact O-CA 3.49Å; V18-L31 PolarHBondContact N-O 3.46Å; V18-L31 PolarHBondContact O-N 2.93Å; V18-F95 HydrophobicContact CG1-CD1 4.05Å; V18-F95 HydrophobicContact CG1-CE1 4.04Å; V18-E107 HydrophobicContact CG1-CB 4.07Å; V18-E107 HydrophobicContact CG1-CG 4.26Å; V18-V111 HydrophobicContact CG2-CG2 3.68Å
19G83.1Confident76.9Confident22 Ų2277.8 Ų77.823%0.22737%0.374CS..EExtended strand (participates in β ladder)trans-76.7170.917400000112.2V21G19-V21 VanDerWaalsContact C-N 3.31Å; G19-V21 PolarHBondContact O-N 3.21Å
20Y84.2Confident78.2Confident104 Ų10477.6 Ų77.641%0.40837%0.374SS..EExtended strand (participates in β ladder)trans59.237.4175-52.6-88.3000114.1M28 G29 C96 P98Y20-M28 HydrophobicContact CD1-CE 3.33Å; Y20-M28 HydrophobicContact CD1-SD 4.31Å; Y20-M28 HydrophobicContact CE1-CE 3.82Å; Y20-M28 HydrophobicContact CG-CE 4.27Å; Y20-G29 PolarHBondContact N-O 2.96Å; Y20-C96 WeakPolarHBondContact O-CB 3.46Å; Y20-C96 PolarHBondContact O-N 3.43Å; Y20-P98 HydrophobicContact CE1-CG 4.33Å; Y20-P98 HydrophobicContact CE2-CG 4.41Å
21V85.5Confident79.3Confident0 Ų072.5 Ų72.50%035%0.347CS..EExtended strand (participates in β ladder)trans-101.2118.8176.3-178.30000109.6V18 G19 G29 L31 W40 F93 Q94 F95V18-V21 HydrophobicContact CB-CG2 4.13Å; V18-V21 HydrophobicContact CG1-CG2 3.77Å; G19-V21 VanDerWaalsContact C-N 3.31Å; G19-V21 PolarHBondContact O-N 3.21Å; V21-G29 PolarHBondContact N-O 3.21Å; V21-G29 PolarHBondContact O-N 2.98Å; V21-L31 HydrophobicContact CB-CB 4.22Å; V21-L31 HydrophobicContact CG1-CB 4.33Å; V21-L31 HydrophobicContact CG2-CB 3.92Å; V21-W40 PolarHBondContact O-NE1 3.22Å; V21-F93 HydrophobicContact CG1-CB 3.76Å; V21-F93 HydrophobicContact CG1-CD1 4.02Å; V21-F93 HydrophobicContact CG1-CG 4.28Å; V21-Q94 CarbonylContact C-O 3.59Å; V21-Q94 WeakPolarHBondContact CA-O 3.26Å; V21-F95 HydrophobicContact CG2-CD1 4.01Å; V21-F95 HydrophobicContact CG2-CE1 4.1Å
22L84.7Confident80.5Confident60 Ų6066.4 Ų66.431%0.31432%0.317SS..EExtended strand (participates in β ladder)trans-86.9120.5177.1-172.7100.7000110.6G27 Q94L22-G27 CarbonylContact C-O 3.54Å; L22-G27 VanDerWaalsContact CA-O 3.28Å; L22-G27 WeakPolarHBondContact CA-O 3.45Å; L22-Q94 HydrophobicContact CB-CB 4.15Å; L22-Q94 HydrophobicContact CD2-CB 4.39Å; L22-Q94 PolarHBondContact N-O 2.87Å; L22-Q94 PolarHBondContact O-N 2.88Å
23S80.6Confident81.5Confident7 Ų757.5 Ų57.55%0.04928%0.278CS..EExtended strand (participates in β ladder)trans-94.4130.7168.3177.90000109.6K25 H26 G27S23-K25 PolarHBondContact O-N 3.37Å; S23-H26 PolarHBondContact O-N 3.34Å; S23-H26 VanDerWaalsContact O-N 3.13Å; S23-G27 PolarHBondContact N-O 3.35Å; S23-G27 PolarHBondContact O-N 3.34Å; S23-G27 VanDerWaalsContact O-N 3.14Å
24K72.8Confident82Confident186 Ų18654.4 Ų54.481%0.80926%0.262SS*.THydrogen-bonded Turntrans-54.2-24.2-175.5-166.5178.5179.7-176.20113.7
25K70.2Confident82.1Confident184 Ų18457.7 Ų57.780%0.827%0.274SS*.THydrogen-bonded Turntrans-100.8-24-177.8-69.5-172.9177.5-175.40114.9S23S23-K25 PolarHBondContact O-N 3.37Å
26H70.1Confident81.8Confident65 Ų6557.5 Ų57.530%0.30128%0.277SS..THydrogen-bonded Turntrans-127.7-0.4-164-56.5-78.7000114.5S23 W40 Q49S23-H26 PolarHBondContact O-N 3.34Å; S23-H26 VanDerWaalsContact O-N 3.13Å; H26-W40 HydrophobicContact CB-CE3 4.17Å; H26-W40 HydrophobicContact CB-CH2 3.43Å; H26-W40 VanDerWaalsContact CB-CH2 3.43Å; H26-W40 HydrophobicContact CB-CZ2 4.47Å; H26-W40 HydrophobicContact CB-CZ3 3.24Å; H26-Q49 HydrophobicContact CB-CB 4.16Å; H26-Q49 HydrophobicContact CB-CG 4.33Å; H26-Q49 PolarHBondContact CE1-OE1 2.9Å; H26-Q49 VanDerWaalsContact CE1-OE1 3.3Å; H26-Q49 PolarHBondContact ND1-OE1 3.48Å
27G81Confident81.7Confident32 Ų3257.1 Ų57.133%0.3327%0.274SS..EExtended strand (participates in β ladder)trans87.8-146.1177.900000112.9L22 S23 W40L22-G27 CarbonylContact C-O 3.54Å; L22-G27 VanDerWaalsContact CA-O 3.28Å; L22-G27 WeakPolarHBondContact CA-O 3.45Å; S23-G27 PolarHBondContact N-O 3.35Å; S23-G27 PolarHBondContact O-N 3.34Å; S23-G27 VanDerWaalsContact O-N 3.14Å; G27-W40 VanDerWaalsContact O-CZ2 3.22Å; G27-W40 WeakPolarHBondContact O-CZ2 3.42Å
28M83.4Confident81.7Confident71 Ų7149.3 Ų49.335%0.3524%0.243SC..EExtended strand (participates in β ladder)trans-92.3141.7-175.5-145.5176.692.800111.3Y20 E43Y20-M28 HydrophobicContact CD1-CE 3.33Å; Y20-M28 HydrophobicContact CD1-SD 4.31Å; Y20-M28 HydrophobicContact CE1-CE 3.82Å; Y20-M28 HydrophobicContact CG-CE 4.27Å; M28-E43 PolarHBondContact O-N 3.11Å
29G86.2Confident81.7Confident0 Ų049.1 Ų49.10%024%0.242CC..EExtended strand (participates in β ladder)trans-172.6-169.4-174.800000113.5Y20 V21 Q41Y20-G29 PolarHBondContact N-O 2.96Å; V21-G29 PolarHBondContact N-O 3.21Å; V21-G29 PolarHBondContact O-N 2.98Å; G29-Q41 CarbonylContact C-O 3.44Å; G29-Q41 WeakPolarHBondContact CA-O 3.5Å
30T86.1Confident81.9Confident24 Ų2448.1 Ų48.115%0.14723%0.231CC..EExtended strand (participates in β ladder)trans-112.4129.3-177.8-560000109.9Y17 V18 Y32 W40 Q41Y17-T30 HydrophobicContact CD2-CG2 4.45Å; V18-T30 CarbonylContact O-C 3.54Å; V18-T30 WeakPolarHBondContact O-CA 3.49Å; T30-Y32 HydrophobicContact CG2-CD2 4.22Å; T30-Y32 HydrophobicContact CG2-CE1 4.24Å; T30-Y32 HydrophobicContact CG2-CE2 3.65Å; T30-W40 WeakPolarHBondContact O-CA 3.32Å; T30-Q41 PolarHBondContact N-O 3.39Å; T30-Q41 PolarHBondContact O-N 3.33Å
31L87.3Confident81.9Confident0 Ų045.9 Ų45.90%023%0.225CC..EExtended strand (participates in β ladder)trans-92.7125.1174.6-172.471.7000109.3Y17 V18 V21 I38 A39 W40 F93 F95 V111Y17-L31 CarbonylContact C-O 3.48Å; Y17-L31 WeakPolarHBondContact CA-O 3.39Å; V18-L31 PolarHBondContact N-O 3.46Å; V18-L31 PolarHBondContact O-N 2.93Å; V21-L31 HydrophobicContact CB-CB 4.22Å; V21-L31 HydrophobicContact CG1-CB 4.33Å; V21-L31 HydrophobicContact CG2-CB 3.92Å; L31-I38 HydrophobicContact CD1-CD1 3.81Å; L31-I38 HydrophobicContact CD1-CG1 3.82Å; L31-I38 HydrophobicContact CD2-CD1 4.12Å; L31-I38 HydrophobicContact CG-CD1 4.12Å; L31-I38 HydrophobicContact CG-CG1 4.27Å; L31-A39 CarbonylContact C-O 3.56Å; L31-W40 HydrophobicContact CD1-CB 4.1Å; L31-F93 HydrophobicContact CD1-CD1 3.95Å; L31-F93 HydrophobicContact CD1-CD2 4.4Å; L31-F93 HydrophobicContact CD1-CE1 3.68Å; L31-F93 HydrophobicContact CD1-CE2 4.14Å; L31-F93 HydrophobicContact CD1-CG 4.3Å; L31-F93 HydrophobicContact CD1-CZ 3.77Å; L31-F95 HydrophobicContact CD2-CZ 4.42Å; L31-V111 HydrophobicContact CD2-CG1 4.05Å; L31-V111 HydrophobicContact CD2-CG2 4.42Å
32Y87.4Confident81.7Confident52 Ų5246.4 Ų46.420%0.20423%0.229CC..EExtended strand (participates in β ladder)trans-111.3126177.2-64.2-91.5000109.9I9 V14 T30 I38 A39 Q41I9-Y32 HydrophobicContact CD1-CD1 3.89Å; I9-Y32 HydrophobicContact CD1-CD2 3.37Å; I9-Y32 HydrophobicContact CD1-CE1 4.41Å; I9-Y32 HydrophobicContact CD1-CE2 3.95Å; I9-Y32 HydrophobicContact CD1-CG 3.34Å; V14-Y32 HydrophobicContact CG1-CD1 4.15Å; V14-Y32 HydrophobicContact CG2-CD1 4.39Å; T30-Y32 HydrophobicContact CG2-CD2 4.22Å; T30-Y32 HydrophobicContact CG2-CE1 4.24Å; T30-Y32 HydrophobicContact CG2-CE2 3.65Å; Y32-I38 WeakPolarHBondContact O-CA 3.46Å; Y32-A39 PolarHBondContact N-O 2.83Å; Y32-A39 PolarHBondContact O-N 3.18Å; Y32-Q41 HydrophobicContact CD2-CB 4.31Å; Y32-Q41 HydrophobicContact CE2-CB 3.81Å
33V84.8Confident81.1Confident0 Ų049.1 Ų49.10%024%0.24CC..EExtended strand (participates in β ladder)trans-105.7113.9173.8-171.60000107.7I15 M16 I38 Y54 V111 L114I15-V33 PolarHBondContact N-O 3.17Å; M16-V33 HydrophobicContact CB-CB 4.4Å; M16-V33 PolarHBondContact N-O 3.43Å; M16-V33 PolarHBondContact O-N 2.99Å; V33-I38 HydrophobicContact CG2-CD1 4.34Å; V33-I38 HydrophobicContact CG2-CG1 4.4Å; V33-Y54 VanDerWaalsContact CG1-OH 3.22Å; V33-Y54 WeakPolarHBondContact CG1-OH 3.23Å; V33-V111 HydrophobicContact CG2-CG1 4.33Å; V33-L114 HydrophobicContact CB-CD2 3.96Å; V33-L114 HydrophobicContact CG1-CD2 3.58Å; V33-L114 HydrophobicContact CG1-CG 4.13Å; V33-L114 HydrophobicContact CG2-CD2 4.47Å
34T83.6Confident80.5Confident3 Ų355 Ų552%0.01828%0.275CS..EExtended strand (participates in β ladder)trans-106.3176.5178.472.30000111.3I9 D13 V14 T36 K37 Y54I9-T34 HydrophobicContact CG2-CG2 4.01Å; D13-T34 WeakPolarHBondContact O-CA 3.41Å; D13-T34 VanDerWaalsContact O-CB 3.3Å; D13-T34 WeakPolarHBondContact O-CB 3.44Å; V14-T34 HydrophobicContact CG2-CG2 4.39Å; T34-T36 VanDerWaalsContact C-N 3.26Å; T34-T36 PolarHBondContact O-N 3.36Å; T34-T36 PolarHBondContact OG1-N 3.21Å; T34-K37 WeakPolarHBondContact CB-O 3.47Å; T34-K37 PolarHBondContact N-O 3.34Å; T34-K37 VanDerWaalsContact OG1-CG 3.27Å; T34-K37 WeakPolarHBondContact OG1-CG 3.5Å; T34-K37 PolarHBondContact OG1-N 3.45Å; T34-K37 PolarHBondContact OG1-O 3.47Å; T34-Y54 WeakPolarHBondContact O-CE2 3.19Å; T34-Y54 PolarHBondContact O-OH 2.84Å
35Q78.4Confident80.1Confident109 Ų10951.4 Ų51.451%0.50926%0.261SS..SBendtrans-64.3-26.6176.3-68.1-174.329.200114.2D13 I15 Y54 F122D13-Q35 PolarHBondContact O-N 3.39Å; I15-Q35 HydrophobicContact CD1-CB 4.48Å; I15-Q35 HydrophobicContact CD1-CG 3.81Å; I15-Q35 HydrophobicContact CG1-CG 4.14Å; Q35-Y54 WeakPolarHBondContact O-CE2 3.43Å; Q35-F122 VanDerWaalsContact O-CE2 3.25Å; Q35-F122 WeakPolarHBondContact O-CE2 3.43Å
36T74.3Confident79.6Confident70 Ų7049 Ų4943%0.42927%0.267SS..SBendtrans-118.1-23-172.356.30000113.7T34 Y54 F122T34-T36 VanDerWaalsContact C-N 3.26Å; T34-T36 PolarHBondContact O-N 3.36Å; T34-T36 PolarHBondContact OG1-N 3.21Å; T36-Y54 VanDerWaalsContact C-CD2 3.42Å; T36-Y54 VanDerWaalsContact O-CD2 3.29Å; T36-Y54 WeakPolarHBondContact O-CD2 3.38Å; T36-Y54 PolarHBondContact O-N 3.49Å; T36-F122 HydrophobicContact CG2-CZ 4.5Å
37K82.1Confident79.2Confident41 Ų4147 Ų4718%0.17827%0.265CS..EExtended strand (participates in β ladder)trans-150.3157.1-173.662.5-163.5-169.6-179.40113.1T34 V52 E53T34-K37 WeakPolarHBondContact CB-O 3.47Å; T34-K37 PolarHBondContact N-O 3.34Å; T34-K37 VanDerWaalsContact OG1-CG 3.27Å; T34-K37 WeakPolarHBondContact OG1-CG 3.5Å; T34-K37 PolarHBondContact OG1-N 3.45Å; T34-K37 PolarHBondContact OG1-O 3.47Å; K37-V52 CarbonylContact C-O 3.58Å; K37-V52 WeakPolarHBondContact CA-O 3.48Å; K37-V52 WeakPolarHBondContact CB-O 2.88Å; K37-E53 HydrophobicContact CB-CG 4.14Å
38I85.1Confident78.4Confident1 Ų146 Ų461%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-100.8132.1164-168.6169.5000108.9L31 Y32 V33 C51 V52 M57 I83 F93 L115L31-I38 HydrophobicContact CD1-CD1 3.81Å; L31-I38 HydrophobicContact CD1-CG1 3.82Å; L31-I38 HydrophobicContact CD2-CD1 4.12Å; L31-I38 HydrophobicContact CG-CD1 4.12Å; L31-I38 HydrophobicContact CG-CG1 4.27Å; Y32-I38 WeakPolarHBondContact O-CA 3.46Å; V33-I38 HydrophobicContact CG2-CD1 4.34Å; V33-I38 HydrophobicContact CG2-CG1 4.4Å; I38-C51 WeakPolarHBondContact O-CA 3.49Å; I38-V52 HydrophobicContact CG2-CB 3.71Å; I38-V52 HydrophobicContact CG2-CG2 4.48Å; I38-V52 WeakPolarHBondContact CG2-O 3.46Å; I38-V52 PolarHBondContact N-O 3.22Å; I38-V52 PolarHBondContact O-N 3Å; I38-M57 HydrophobicContact CB-CE 4.38Å; I38-M57 HydrophobicContact CG2-CE 3.33Å; I38-I83 HydrophobicContact CD1-CD1 4.07Å; I38-I83 HydrophobicContact CG2-CD1 4.22Å; I38-F93 HydrophobicContact CD1-CE2 4.45Å; I38-L115 HydrophobicContact CD1-CD1 4.2Å; I38-L115 HydrophobicContact CD1-CD2 4.25Å
39A85.2Confident77.7Confident1 Ų145.4 Ų45.41%0.00825%0.248CC..EExtended strand (participates in β ladder)trans-124.9144-178.300000110.2I9 L31 Y32 L48 V50I9-A39 HydrophobicContact CD1-CB 3.91Å; L31-A39 CarbonylContact C-O 3.56Å; Y32-A39 PolarHBondContact N-O 2.83Å; Y32-A39 PolarHBondContact O-N 3.18Å; A39-L48 HydrophobicContact CB-CD2 3.39Å; A39-L48 HydrophobicContact CB-CG 4.19Å; A39-V50 CarbonylContact C-O 3.59Å; A39-V50 VanDerWaalsContact CA-O 3.27Å; A39-V50 WeakPolarHBondContact CA-O 3.29Å
40W87Confident77.1Confident0 Ų046.3 Ų46.30%025%0.253CS..EExtended strand (participates in β ladder)trans-125.2132171.1-177.794.8000108.9V21 H26 G27 T30 L31 Q49 V50 F93V21-W40 PolarHBondContact O-NE1 3.22Å; H26-W40 HydrophobicContact CB-CE3 4.17Å; H26-W40 HydrophobicContact CB-CH2 3.43Å; H26-W40 VanDerWaalsContact CB-CH2 3.43Å; H26-W40 HydrophobicContact CB-CZ2 4.47Å; H26-W40 HydrophobicContact CB-CZ3 3.24Å; G27-W40 VanDerWaalsContact O-CZ2 3.22Å; G27-W40 WeakPolarHBondContact O-CZ2 3.42Å; T30-W40 WeakPolarHBondContact O-CA 3.32Å; L31-W40 HydrophobicContact CD1-CB 4.1Å; W40-Q49 HydrophobicContact CE3-CB 3.73Å; W40-Q49 HydrophobicContact CE3-CG 4.31Å; W40-Q49 HydrophobicContact CZ3-CB 3.67Å; W40-Q49 HydrophobicContact CZ3-CG 3.82Å; W40-Q49 PolarHBondContact O-N 3.43Å; W40-V50 HydrophobicContact CB-CB 4Å; W40-V50 HydrophobicContact CB-CG2 4.4Å; W40-V50 HydrophobicContact CE3-CG2 4.45Å; W40-V50 PolarHBondContact N-O 2.75Å; W40-V50 PolarHBondContact O-N 3.06Å; W40-F93 HydrophobicContact CB-CE1 3.83Å; W40-F93 AromaticContact CD1-CE1 3.96Å; W40-F93 HydrophobicContact CG-CD1 4.49Å; W40-F93 AromaticContact CG-CE1 4Å; W40-F93 HydrophobicContact CG-CE1 4Å
41Q84.7Confident76.7Confident57 Ų5747.7 Ų47.727%0.26626%0.263SS..EExtended strand (participates in β ladder)trans-121.2134-177.9-172.1177.4-5.800109.5G29 T30 Y32G29-Q41 CarbonylContact C-O 3.44Å; G29-Q41 WeakPolarHBondContact CA-O 3.5Å; T30-Q41 PolarHBondContact N-O 3.39Å; T30-Q41 PolarHBondContact O-N 3.33Å; Y32-Q41 HydrophobicContact CD2-CB 4.31Å; Y32-Q41 HydrophobicContact CE2-CB 3.81Å
42S81.6Confident76.2Confident12 Ų1248.1 Ų48.18%0.08427%0.266CS..EExtended strand (participates in β ladder)trans-73.4148.1174.71800000110.7V44 E45S42-V44 VanDerWaalsContact C-N 3.28Å; S42-V44 PolarHBondContact OG-N 3.15Å; S42-V44 VanDerWaalsContact OG-N 3.16Å; S42-E45 PolarHBondContact OG-N 3.44Å
43E71.6Confident75.7Confident117 Ų11749.7 Ų49.755%0.54728%0.276SS..SBendtrans-71.2-25.9169-79.6-178166.900112.4M28M28-E43 PolarHBondContact O-N 3.11Å
44V67.6Low75.2Confident131 Ų13150.1 Ų50.179%0.79428%0.277SS*.SBendtrans-95.7-32.8-171.9-170.10000111.8S42S42-V44 VanDerWaalsContact C-N 3.28Å; S42-V44 PolarHBondContact OG-N 3.15Å; S42-V44 VanDerWaalsContact OG-N 3.16Å
45E65.3Low74.4Confident110 Ų11054.4 Ų54.451%0.51430%0.3SS..SBendtrans-110.5127.1-178.1-70.7-174.7163.500111.2S42 G47 Q49S42-E45 PolarHBondContact OG-N 3.44Å; E45-G47 PolarHBondContact O-N 3.28Å; E45-Q49 PolarHBondContact OE2-NE2 3.16Å
46S58.9Low73.7Confident132 Ų13254.5 Ų54.592%0.92330%0.299SS*.SBendtrans-73.935-172.6-36.80000115.1
47G61.3Low73Confident25 Ų2551.6 Ų51.626%0.25828%0.28SS..SBendtrans-144153.9-179.800000112.9E45 Q49E45-G47 PolarHBondContact O-N 3.28Å; G47-Q49 PolarHBondContact O-N 3.42Å
48L64.6Low71.8Confident9 Ų957.9 Ų57.95%0.04730%0.303CS..EExtended strand (participates in β ladder)trans-62.8128.3167.4-78.278.9000108.4L6 I9 A39 C51L6-L48 HydrophobicContact CB-CB 4.13Å; L6-L48 WeakPolarHBondContact CD1-O 3.27Å; L6-L48 HydrophobicContact CD2-CB 3.65Å; L6-L48 HydrophobicContact CD2-CD2 4.43Å; L6-L48 HydrophobicContact CG-CB 4.32Å; I9-L48 HydrophobicContact CD1-CD1 4.36Å; I9-L48 HydrophobicContact CD1-CD2 4.4Å; I9-L48 HydrophobicContact CD1-CG 4.35Å; I9-L48 HydrophobicContact CG1-CD1 3.88Å; I9-L48 HydrophobicContact CG1-CD2 4.18Å; I9-L48 HydrophobicContact CG1-CG 4.28Å; A39-L48 HydrophobicContact CB-CD2 3.39Å; A39-L48 HydrophobicContact CB-CG 4.19Å; L48-C51 HydrophobicContact CD2-CB 4.33Å
49Q67.9Low70Confident60 Ų6060.8 Ų60.828%0.2832%0.323SS..EExtended strand (participates in β ladder)trans-100.6-25.5178.5-64.3-77.1-35.300112H26 W40 E45 G47H26-Q49 HydrophobicContact CB-CB 4.16Å; H26-Q49 HydrophobicContact CB-CG 4.33Å; H26-Q49 PolarHBondContact CE1-OE1 2.9Å; H26-Q49 VanDerWaalsContact CE1-OE1 3.3Å; H26-Q49 PolarHBondContact ND1-OE1 3.48Å; W40-Q49 HydrophobicContact CE3-CB 3.73Å; W40-Q49 HydrophobicContact CE3-CG 4.31Å; W40-Q49 HydrophobicContact CZ3-CB 3.67Å; W40-Q49 HydrophobicContact CZ3-CG 3.82Å; W40-Q49 PolarHBondContact O-N 3.43Å; E45-Q49 PolarHBondContact OE2-NE2 3.16Å; G47-Q49 PolarHBondContact O-N 3.42Å
50V73.4Confident68Low18 Ų1868.7 Ų68.711%0.10936%0.357CS..EExtended strand (participates in β ladder)trans-131.7126.8176.3-172.70000108.2A39 W40 V52 V91 F93A39-V50 CarbonylContact C-O 3.59Å; A39-V50 VanDerWaalsContact CA-O 3.27Å; A39-V50 WeakPolarHBondContact CA-O 3.29Å; W40-V50 HydrophobicContact CB-CB 4Å; W40-V50 HydrophobicContact CB-CG2 4.4Å; W40-V50 HydrophobicContact CE3-CG2 4.45Å; W40-V50 PolarHBondContact N-O 2.75Å; W40-V50 PolarHBondContact O-N 3.06Å; V50-V52 HydrophobicContact CG1-CG2 4.09Å; V50-V91 HydrophobicContact CG1-CG1 3.95Å; V50-V91 HydrophobicContact CG1-CG2 4.47Å; V50-F93 HydrophobicContact CG1-CZ 4.33Å
51C79.4Confident65.9Low53 Ų5374 Ų7436%0.35839%0.385SS..EExtended strand (participates in β ladder)trans-134.9118174-166.70000108.3L6 I38 L48L6-C51 HydrophobicContact CD2-CB 4.11Å; I38-C51 WeakPolarHBondContact O-CA 3.49Å; L48-C51 HydrophobicContact CD2-CB 4.33Å
52V75.6Confident64Low9 Ų981.6 Ų81.66%0.05542%0.417CS..EExtended strand (participates in β ladder)trans-125.4116.1180-177.60000109.1K37 I38 V50 M57 L85 V91K37-V52 CarbonylContact C-O 3.58Å; K37-V52 WeakPolarHBondContact CA-O 3.48Å; K37-V52 WeakPolarHBondContact CB-O 2.88Å; I38-V52 HydrophobicContact CG2-CB 3.71Å; I38-V52 HydrophobicContact CG2-CG2 4.48Å; I38-V52 WeakPolarHBondContact CG2-O 3.46Å; I38-V52 PolarHBondContact N-O 3.22Å; I38-V52 PolarHBondContact O-N 3Å; V50-V52 HydrophobicContact CG1-CG2 4.09Å; V52-M57 HydrophobicContact CB-CE 3.85Å; V52-M57 HydrophobicContact CG1-CE 3.35Å; V52-M57 HydrophobicContact CG1-CG 3.74Å; V52-M57 HydrophobicContact CG1-SD 4.38Å; V52-L85 HydrophobicContact CB-CD2 4.47Å; V52-L85 HydrophobicContact CG1-CD2 3.43Å; V52-L85 VanDerWaalsContact CG1-CD2 3.43Å; V52-L85 HydrophobicContact CG2-CD2 4.23Å; V52-V91 HydrophobicContact CG2-CG2 4.4Å
53E77.2Confident62Low86 Ų8688.9 Ų88.940%0.40245%0.454SS..EExtended strand (participates in β ladder)trans-74.8145.6171.3-72.1162.6171.800110.7K37 D55 K56K37-E53 HydrophobicContact CB-CG 4.14Å; E53-D55 PolarHBondContact O-N 3.37Å; E53-K56 PolarHBondContact O-N 3.19Å; E53-K56 WeakPolarHBondContact OE2-CE 3.19Å; E53-K56 IonicContact OE2-NZ 2.85Å; E53-K56 PolarHBondContact OE2-NZ 3.46Å
54Y74Confident60.4Low8 Ų888.7 Ų88.73%0.03146%0.455CS..G310 helixtrans-62.6-30.2-177.3-61.9-47.2000113.4V33 T34 Q35 T36 K56 M57 L115 M118 F122V33-Y54 VanDerWaalsContact CG1-OH 3.22Å; V33-Y54 WeakPolarHBondContact CG1-OH 3.23Å; T34-Y54 WeakPolarHBondContact O-CE2 3.19Å; T34-Y54 PolarHBondContact O-OH 2.84Å; Q35-Y54 WeakPolarHBondContact O-CE2 3.43Å; T36-Y54 VanDerWaalsContact C-CD2 3.42Å; T36-Y54 VanDerWaalsContact O-CD2 3.29Å; T36-Y54 WeakPolarHBondContact O-CD2 3.38Å; T36-Y54 PolarHBondContact O-N 3.49Å; Y54-K56 VanDerWaalsContact C-N 3.29Å; Y54-K56 PolarHBondContact O-N 3.03Å; Y54-M57 HydrophobicContact CD1-CE 4.05Å; Y54-M57 HydrophobicContact CD1-SD 4.2Å; Y54-M57 HydrophobicContact CE1-CE 4.38Å; Y54-M57 WeakPolarHBondContact O-CB 3.01Å; Y54-M57 PolarHBondContact O-N 3.04Å; Y54-L115 HydrophobicContact CD1-CD2 4.29Å; Y54-L115 HydrophobicContact CE1-CD2 3.55Å; Y54-M118 HydrophobicContact CD2-CB 4.14Å; Y54-M118 HydrophobicContact CE1-CB 4.29Å; Y54-M118 HydrophobicContact CE2-CB 3.81Å; Y54-M118 HydrophobicContact CE2-CG 4.04Å; Y54-F122 AromaticContact CD2-CD2 3.8Å; Y54-F122 HydrophobicContact CD2-CD2 3.8Å; Y54-F122 AromaticContact CD2-CE2 3.63Å; Y54-F122 HydrophobicContact CD2-CE2 3.63Å; Y54-F122 HydrophobicContact CD2-CZ 4.28Å; Y54-F122 HydrophobicContact CE2-CE2 4.4Å; Y54-F122 HydrophobicContact CG-CD2 4.34Å
55D66.6Low59.2Low94 Ų9486.8 Ų86.850%0.50345%0.445SS..G310 helixtrans-65-31.9178.8-169.241.1000112.9E53 M57E53-D55 PolarHBondContact O-N 3.37Å; D55-M57 VanDerWaalsContact C-N 3.26Å; D55-M57 PolarHBondContact O-N 3Å
56K64.8Low58.2Low110 Ų11088 Ų8848%0.47845%0.454SS..G310 helixtrans-79.3-5.7179.1-67.3173.9176.2145.50113.5E53 Y54 R58 Q86E53-K56 PolarHBondContact O-N 3.19Å; E53-K56 WeakPolarHBondContact OE2-CE 3.19Å; E53-K56 IonicContact OE2-NZ 2.85Å; E53-K56 PolarHBondContact OE2-NZ 3.46Å; Y54-K56 VanDerWaalsContact C-N 3.29Å; Y54-K56 PolarHBondContact O-N 3.03Å; K56-R58 PolarHBondContact O-N 3.42Å; K56-Q86 PolarHBondContact O-N 3.14Å; K56-Q86 VanDerWaalsContact O-N 3.09Å
57M59.9Low57.8Low9 Ų985.8 Ų85.84%0.04443%0.431CS..  trans-90.262.9176.2-58.7-174.6-17200111I38 V52 Y54 D55 I83I38-M57 HydrophobicContact CB-CE 4.38Å; I38-M57 HydrophobicContact CG2-CE 3.33Å; V52-M57 HydrophobicContact CB-CE 3.85Å; V52-M57 HydrophobicContact CG1-CE 3.35Å; V52-M57 HydrophobicContact CG1-CG 3.74Å; V52-M57 HydrophobicContact CG1-SD 4.38Å; Y54-M57 HydrophobicContact CD1-CE 4.05Å; Y54-M57 HydrophobicContact CD1-SD 4.2Å; Y54-M57 HydrophobicContact CE1-CE 4.38Å; Y54-M57 WeakPolarHBondContact O-CB 3.01Å; Y54-M57 PolarHBondContact O-N 3.04Å; D55-M57 VanDerWaalsContact C-N 3.26Å; D55-M57 PolarHBondContact O-N 3Å; M57-I83 HydrophobicContact CE-CD1 3.91Å; M57-I83 HydrophobicContact CE-CG2 3.88Å; M57-I83 HydrophobicContact CG-CG2 3.87Å; M57-I83 HydrophobicContact SD-CG2 3.6Å
58R56.8Low57.8Low174 Ų17485.4 Ų85.466%0.65743%0.425SS*.  trans-111.2125.8178.2-108.5-175.6-166.6-157.85.7112.5K56K56-R58 PolarHBondContact O-N 3.42Å
59C47.4Very low58.1Low62 Ų6286.3 Ų86.342%0.41943%0.429SS..  trans-82.7132.1166.5-142.40000108.7D61C59-D61 PolarHBondContact O-N 2.81Å
60K42.2Very low58.4Low166 Ų16689.5 Ų89.572%0.72244%0.439SS*.SBendtrans-65.6-15-177.8-93.4176.2176.6167.70114.3K62K60-K62 PolarHBondContact O-N 3.37Å
61D42.4Very low58.9Low112 Ų11292 Ų9260%0.59945%0.45SS*.  trans-90.5111.1-173-75-32.1000113.5C59 L63 M64C59-D61 PolarHBondContact O-N 2.81Å; D61-L63 PolarHBondContact O-N 2.95Å; D61-M64 PolarHBondContact O-N 2.9Å
62K46.1Very low58.9Low217 Ų21790 Ų9094%0.94344%0.437SS*.THydrogen-bonded Turntrans-55.3-16.4167.9-86.7-178.6175.4178.90113.6K60K60-K62 PolarHBondContact O-N 3.37Å
63L39.3Very low58.9Low164 Ų16493.6 Ų93.686%0.85946%0.46SS*.THydrogen-bonded Turntrans-99.2-9.8-172.8-132.778.4000114.8D61D61-L63 PolarHBondContact O-N 2.95Å
64M38Very low58.5Low113 Ų11394.6 Ų94.656%0.55748%0.484SS*.  trans-138.884.2178.1-84.2-156.4160.200112.1D61 L66 M67D61-M64 PolarHBondContact O-N 2.9Å; M64-L66 PolarHBondContact O-N 3.34Å; M64-M67 HydrophobicContact SD-CE 4.17Å
65P42.6Very low58.2Low91 Ų9198.3 Ų98.359%0.59152%0.524SS*.THydrogen-bonded Turntrans-71.86.1-176.127.4-33.8000115.3K123P65-K123 PolarHBondContact O-NZ 2.91Å
66L43.4Very low58.6Low135 Ų135100.5 Ų100.571%0.70753%0.529SS*.THydrogen-bonded Turntrans-110.6-5.5-166.8-83.5150.6000115.1M64M64-L66 PolarHBondContact O-N 3.34Å
67M50.5Low58.9Low87 Ų8799.9 Ų99.943%0.42954%0.544SS..  trans-106.734.9-171.1-70.8-149-179.400115.7M64M64-M67 HydrophobicContact SD-CE 4.17Å
68A62.4Low59.8Low16 Ų16105.5 Ų105.513%0.13257%0.569CS.*SBendtrans-73.6-20.7169.400000112.5C84 I119A68-C84 PolarHBondContact O-N 3.17Å; A68-I119 HydrophobicContact CB-CD1 4.3Å
69Q69.9Low61.1Low29 Ų2997.4 Ų97.414%0.13654%0.539CS..EExtended strand (participates in β ladder)trans-134.7141.3-178.460.7-176.11.900111.3L81 Q82 K112Q69-L81 HydrophobicContact CB-CD1 4.25Å; Q69-Q82 CarbonylContact C-O 3.57Å; Q69-Q82 VanDerWaalsContact CA-O 3.26Å; Q69-Q82 WeakPolarHBondContact CA-O 3.37Å; Q69-K112 VanDerWaalsContact NE2-CG 3.32Å; Q69-K112 PolarHBondContact NE2-O 3.08Å; Q69-K112 VanDerWaalsContact NE2-O 3.11Å
70R75.6Confident63Low127 Ų12797.6 Ų97.648%0.47953%0.533SS..EExtended strand (participates in β ladder)trans-121.9132.6174.3-64.2-180177.7155.80.1109.6L81 Q82R70-L81 CarbonylContact O-C 3.54Å; R70-L81 WeakPolarHBondContact O-CA 3.15Å; R70-Q82 HydrophobicContact CB-CB 4.24Å; R70-Q82 PolarHBondContact N-O 2.95Å; R70-Q82 PolarHBondContact O-N 2.65Å
71I82.9Confident65.1Low69 Ų6989.7 Ų89.735%0.35450%0.499SS..EExtended strand (participates in β ladder)trans-108.4150.3175.556.8170.8000110.7Q80 L81 R108 K112I71-Q80 WeakPolarHBondContact CA-O 3.28Å; I71-L81 HydrophobicContact CG2-CD1 3.68Å; I71-R108 HydrophobicContact CG2-CG 4.38Å; I71-K112 HydrophobicContact CD1-CD 4.28Å; I71-K112 HydrophobicContact CG2-CD 4.16Å; I71-K112 HydrophobicContact CG2-CG 4.19Å
72S80.3Confident67.1Low12 Ų1286.8 Ų86.88%0.08448%0.482CS..PPolyproline II helixtrans-62.4133.8171.958.60000111.1Q80 R108S72-Q80 PolarHBondContact N-O 3.06Å; S72-Q80 PolarHBondContact OG-N 3.38Å; S72-Q80 VanDerWaalsContact OG-N 3.14Å; S72-R108 PolarHBondContact O-NH1 2.92Å; S72-R108 PolarHBondContact OG-NH1 3.46Å
73P75.8Confident68.8Low84 Ų8476.5 Ų76.555%0.54544%0.437SS..PPolyproline II helixtrans-55.9148.3175.4-23.732.2000112.7G75 K76P73-G75 PolarHBondContact O-N 3.03Å; P73-K76 PolarHBondContact O-N 3.37Å
74A67.4Low70.5Confident108 Ų10869.5 Ų69.589%0.89340%0.402SS*.THydrogen-bonded Turntrans-57.2128.9174.900000110.5
75G68.1Low72.1Confident85 Ų8565.5 Ų65.588%0.87638%0.383SS*.THydrogen-bonded Turntrans100-4.3-178.900000116.1P73P73-G75 PolarHBondContact O-N 3.03Å
76K74Confident73.2Confident141 Ų14166.3 Ų66.361%0.61338%0.379SS*.  trans-78.3134.4170.1-77.7-154.4176.3-1770111.6P73 K78P73-K76 PolarHBondContact O-N 3.37Å; K76-K78 PolarHBondContact O-N 3.39Å; K76-K78 VanDerWaalsContact O-N 3.08Å
77A72.2Confident74.3Confident96 Ų9665.3 Ų65.379%0.79337%0.374SS*.SBendtrans-62.4-14.5177.100000114.7
78K78.8Confident75Confident127 Ų12767.4 Ų67.455%0.55239%0.387SS*.SBendtrans-114.5111.6176-63.7-175.1-178.9-176.70109.2K76 Q80K76-K78 PolarHBondContact O-N 3.39Å; K76-K78 VanDerWaalsContact O-N 3.08Å; K78-Q80 HydrophobicContact CB-CG 4.24Å
79V84.8Confident75.4Confident5 Ų568.9 Ų68.93%0.0340%0.396CS..EExtended strand (participates in β ladder)trans-82.6113.6176.3-1750000108.9Q94 F95 Q104 T105 R108V79-Q94 CarbonylContact O-C 3.46Å; V79-Q94 WeakPolarHBondContact O-CA 3.47Å; V79-F95 HydrophobicContact CB-CB 4.37Å; V79-F95 HydrophobicContact CG1-CB 4.27Å; V79-F95 HydrophobicContact CG1-CD2 4.33Å; V79-F95 PolarHBondContact O-N 2.77Å; V79-Q104 HydrophobicContact CB-CB 4.12Å; V79-Q104 HydrophobicContact CG1-CB 4.35Å; V79-Q104 HydrophobicContact CG2-CB 3.85Å; V79-T105 HydrophobicContact CG1-CG2 4.39Å; V79-T105 HydrophobicContact CG2-CG2 4.15Å; V79-R108 HydrophobicContact CG1-CB 3.89Å; V79-R108 HydrophobicContact CG1-CG 4.22Å
80Q85.8Confident75.9Confident65 Ų6571.3 Ų71.330%0.30441%0.41SS..EExtended strand (participates in β ladder)trans-135.2143.7-171.5-61.5-177.9-22.100112.3I71 S72 K78 T92 F93 Q94I71-Q80 WeakPolarHBondContact CA-O 3.28Å; S72-Q80 PolarHBondContact N-O 3.06Å; S72-Q80 PolarHBondContact OG-N 3.38Å; S72-Q80 VanDerWaalsContact OG-N 3.14Å; K78-Q80 HydrophobicContact CB-CG 4.24Å; Q80-T92 HydrophobicContact CB-CG2 4.38Å; Q80-F93 CarbonylContact C-O 3.52Å; Q80-F93 VanDerWaalsContact CA-O 3.26Å; Q80-F93 WeakPolarHBondContact CA-O 3.42Å; Q80-Q94 HydrophobicContact CG-CB 3.89Å; Q80-Q94 HydrophobicContact CG-CG 3.95Å; Q80-Q94 VanDerWaalsContact NE2-OE1 3.14Å
81L86.2Confident76.2Confident0 Ų066.4 Ų66.40%039%0.394CS..EExtended strand (participates in β ladder)trans-120.9124171.3177.871000108.7Q69 R70 I71 T92 F93 F95 V111 L115Q69-L81 HydrophobicContact CB-CD1 4.25Å; R70-L81 CarbonylContact O-C 3.54Å; R70-L81 WeakPolarHBondContact O-CA 3.15Å; I71-L81 HydrophobicContact CG2-CD1 3.68Å; L81-T92 WeakPolarHBondContact O-CA 3.42Å; L81-F93 PolarHBondContact N-O 3.2Å; L81-F93 PolarHBondContact O-N 3.31Å; L81-F95 HydrophobicContact CB-CE2 3.73Å; L81-F95 HydrophobicContact CB-CZ 4.41Å; L81-F95 HydrophobicContact CD2-CZ 4.46Å; L81-V111 HydrophobicContact CD2-CG1 3.83Å; L81-L115 HydrophobicContact CD2-CD1 3.93Å
82Q85.2Confident76.3Confident51 Ų5164.7 Ų64.724%0.23839%0.387CS..EExtended strand (participates in β ladder)trans-113126.8177.2178.2178.345.800109.6Q69 R70 N90 V91 T92Q69-Q82 CarbonylContact C-O 3.57Å; Q69-Q82 VanDerWaalsContact CA-O 3.26Å; Q69-Q82 WeakPolarHBondContact CA-O 3.37Å; R70-Q82 HydrophobicContact CB-CB 4.24Å; R70-Q82 PolarHBondContact N-O 2.95Å; R70-Q82 PolarHBondContact O-N 2.65Å; Q82-N90 HydrophobicContact CG-CB 4.1Å; Q82-V91 CarbonylContact C-O 3.56Å; Q82-V91 VanDerWaalsContact CA-O 3.29Å; Q82-V91 WeakPolarHBondContact CA-O 3.3Å; Q82-T92 HydrophobicContact CB-CG2 4.49Å
83I82.1Confident76.6Confident1 Ų164.1 Ų64.11%0.00538%0.383CS..EExtended strand (participates in β ladder)trans-104.4128.4175.8-54.9-175000108.4I38 M57 N90 V91 F93 L115I38-I83 HydrophobicContact CD1-CD1 4.07Å; I38-I83 HydrophobicContact CG2-CD1 4.22Å; M57-I83 HydrophobicContact CE-CD1 3.91Å; M57-I83 HydrophobicContact CE-CG2 3.88Å; M57-I83 HydrophobicContact CG-CG2 3.87Å; M57-I83 HydrophobicContact SD-CG2 3.6Å; I83-N90 WeakPolarHBondContact O-CA 3.32Å; I83-V91 PolarHBondContact N-O 3.06Å; I83-V91 PolarHBondContact O-N 3.2Å; I83-F93 HydrophobicContact CD1-CD2 4.32Å; I83-F93 HydrophobicContact CD1-CE2 3.77Å; I83-F93 HydrophobicContact CG1-CE2 4.3Å; I83-L115 HydrophobicContact CD1-CD1 4.2Å
84C74.3Confident77.1Confident18 Ų1861.9 Ų61.912%0.12237%0.365CS..EExtended strand (participates in β ladder)trans-95124.8177.5-64.30000110.2A68 N90A68-C84 PolarHBondContact O-N 3.17Å; C84-N90 PolarHBondContact SG-OD1 2.88Å
85L72Confident78.1Confident29 Ų2956.9 Ų56.915%0.15232%0.323CS..  trans-95.2160.2178.6-67.3158.2000111V52 N87 D88 S89 V91V52-L85 HydrophobicContact CB-CD2 4.47Å; V52-L85 HydrophobicContact CG1-CD2 3.43Å; V52-L85 VanDerWaalsContact CG1-CD2 3.43Å; V52-L85 HydrophobicContact CG2-CD2 4.23Å; L85-N87 WeakPolarHBondContact CB-OD1 3.42Å; L85-N87 PolarHBondContact O-N 3.45Å; L85-N87 VanDerWaalsContact O-N 3.13Å; L85-D88 PolarHBondContact O-N 3.29Å; L85-S89 WeakPolarHBondContact CB-O 3.47Å; L85-S89 WeakPolarHBondContact CD1-OG 3.32Å; L85-S89 PolarHBondContact N-O 3.45Å; L85-V91 HydrophobicContact CD1-CG2 3.76Å
86Q65.9Low78.8Confident108 Ų10854.9 Ų54.951%0.50530%0.295SS..THydrogen-bonded Turntrans-61.4-19.7179.9-173.9177.1-11.600114.6K56K56-Q86 PolarHBondContact O-N 3.14Å; K56-Q86 VanDerWaalsContact O-N 3.09Å
87N65.9Low79.3Confident113 Ų11348.4 Ų48.460%0.60427%0.267SS*.THydrogen-bonded Turntrans-95.323.5-177.565.2-7.4000113.6L85 S89L85-N87 WeakPolarHBondContact CB-OD1 3.42Å; L85-N87 PolarHBondContact O-N 3.45Å; L85-N87 VanDerWaalsContact O-N 3.13Å; N87-S89 VanDerWaalsContact CG-OG 3.29Å; N87-S89 PolarHBondContact ND2-OG 2.91Å; N87-S89 PolarHBondContact O-N 3.32Å; N87-S89 VanDerWaalsContact OD1-CB 3.26Å; N87-S89 WeakPolarHBondContact OD1-CB 3.31Å; N87-S89 PolarHBondContact OD1-N 3.07Å; N87-S89 VanDerWaalsContact OD1-N 3.15Å; N87-S89 PolarHBondContact OD1-OG 2.67Å
88D65Low79.6Confident132 Ų13248.3 Ų48.371%0.70626%0.258SS*.SBendtrans59.17.9-173.8-63.6-38.4000115L85L85-D88 PolarHBondContact O-N 3.29Å
89S72.4Confident79.5Confident46 Ų4647.8 Ų47.832%0.32226%0.261SS..  trans-86.4149.1173.878.40000111.4L85 N87L85-S89 WeakPolarHBondContact CB-O 3.47Å; L85-S89 WeakPolarHBondContact CD1-OG 3.32Å; L85-S89 PolarHBondContact N-O 3.45Å; N87-S89 VanDerWaalsContact CG-OG 3.29Å; N87-S89 PolarHBondContact ND2-OG 2.91Å; N87-S89 PolarHBondContact O-N 3.32Å; N87-S89 VanDerWaalsContact OD1-CB 3.26Å; N87-S89 WeakPolarHBondContact OD1-CB 3.31Å; N87-S89 PolarHBondContact OD1-N 3.07Å; N87-S89 VanDerWaalsContact OD1-N 3.15Å; N87-S89 PolarHBondContact OD1-OG 2.67Å
90N79.3Confident79.3Confident81 Ų8149.1 Ų49.143%0.43328%0.276SS..EExtended strand (participates in β ladder)trans-125.1131.4-177.1-61.8-62.6000110.2Q82 I83 C84Q82-N90 HydrophobicContact CG-CB 4.1Å; I83-N90 WeakPolarHBondContact O-CA 3.32Å; C84-N90 PolarHBondContact SG-OD1 2.88Å
91V82.3Confident79Confident24 Ų2450.5 Ų50.515%0.14529%0.289CS..EExtended strand (participates in β ladder)trans-103.2128.6173.2-178.80000108.1V50 V52 Q82 I83 L85 F93V50-V91 HydrophobicContact CG1-CG1 3.95Å; V50-V91 HydrophobicContact CG1-CG2 4.47Å; V52-V91 HydrophobicContact CG2-CG2 4.4Å; Q82-V91 CarbonylContact C-O 3.56Å; Q82-V91 VanDerWaalsContact CA-O 3.29Å; Q82-V91 WeakPolarHBondContact CA-O 3.3Å; I83-V91 PolarHBondContact N-O 3.06Å; I83-V91 PolarHBondContact O-N 3.2Å; L85-V91 HydrophobicContact CD1-CG2 3.76Å; V91-F93 HydrophobicContact CG1-CD2 4.38Å; V91-F93 HydrophobicContact CG1-CE1 3.97Å; V91-F93 HydrophobicContact CG1-CE2 3.66Å; V91-F93 HydrophobicContact CG1-CZ 3.43Å; V91-F93 VanDerWaalsContact CG1-CZ 3.43Å
92T84.3Confident78.8Confident32 Ų3257.4 Ų57.420%0.19632%0.321CS..EExtended strand (participates in β ladder)trans-120.6124.2-178.8-51.40000110.5Q80 L81 Q82Q80-T92 HydrophobicContact CB-CG2 4.38Å; L81-T92 WeakPolarHBondContact O-CA 3.42Å; Q82-T92 HydrophobicContact CB-CG2 4.49Å
93F86.9Confident78.7Confident1 Ų160.2 Ų60.20%0.00433%0.33CS..EExtended strand (participates in β ladder)trans-107.9130.2175.4-59.5-67.9000109.4V21 L31 I38 W40 V50 Q80 L81 I83 V91V21-F93 HydrophobicContact CG1-CB 3.76Å; V21-F93 HydrophobicContact CG1-CD1 4.02Å; V21-F93 HydrophobicContact CG1-CG 4.28Å; L31-F93 HydrophobicContact CD1-CD1 3.95Å; L31-F93 HydrophobicContact CD1-CD2 4.4Å; L31-F93 HydrophobicContact CD1-CE1 3.68Å; L31-F93 HydrophobicContact CD1-CE2 4.14Å; L31-F93 HydrophobicContact CD1-CG 4.3Å; L31-F93 HydrophobicContact CD1-CZ 3.77Å; I38-F93 HydrophobicContact CD1-CE2 4.45Å; W40-F93 HydrophobicContact CB-CE1 3.83Å; W40-F93 AromaticContact CD1-CE1 3.96Å; W40-F93 HydrophobicContact CG-CD1 4.49Å; W40-F93 AromaticContact CG-CE1 4Å; W40-F93 HydrophobicContact CG-CE1 4Å; V50-F93 HydrophobicContact CG1-CZ 4.33Å; Q80-F93 CarbonylContact C-O 3.52Å; Q80-F93 VanDerWaalsContact CA-O 3.26Å; Q80-F93 WeakPolarHBondContact CA-O 3.42Å; L81-F93 PolarHBondContact N-O 3.2Å; L81-F93 PolarHBondContact O-N 3.31Å; I83-F93 HydrophobicContact CD1-CD2 4.32Å; I83-F93 HydrophobicContact CD1-CE2 3.77Å; I83-F93 HydrophobicContact CG1-CE2 4.3Å; V91-F93 HydrophobicContact CG1-CD2 4.38Å; V91-F93 HydrophobicContact CG1-CE1 3.97Å; V91-F93 HydrophobicContact CG1-CE2 3.66Å; V91-F93 HydrophobicContact CG1-CZ 3.43Å; V91-F93 VanDerWaalsContact CG1-CZ 3.43Å
94Q86.7Confident78.8Confident37 Ų3761.5 Ų61.517%0.17334%0.336CS..EExtended strand (participates in β ladder)trans-112.3127.6175.2176-179.3-29.900109.5V21 L22 V79 Q80V21-Q94 CarbonylContact C-O 3.59Å; V21-Q94 WeakPolarHBondContact CA-O 3.26Å; L22-Q94 HydrophobicContact CB-CB 4.15Å; L22-Q94 HydrophobicContact CD2-CB 4.39Å; L22-Q94 PolarHBondContact N-O 2.87Å; L22-Q94 PolarHBondContact O-N 2.88Å; V79-Q94 CarbonylContact O-C 3.46Å; V79-Q94 WeakPolarHBondContact O-CA 3.47Å; Q80-Q94 HydrophobicContact CG-CB 3.89Å; Q80-Q94 HydrophobicContact CG-CG 3.95Å; Q80-Q94 VanDerWaalsContact NE2-OE1 3.14Å
95F87.5Confident79.2Confident2 Ų262.9 Ų62.91%0.00934%0.343CS..EExtended strand (participates in β ladder)trans-89.3120.8-178.6-63.8-97.4000109.3V18 V21 L31 V79 L81 Q104 E107 R108 V111V18-F95 HydrophobicContact CG1-CD1 4.05Å; V18-F95 HydrophobicContact CG1-CE1 4.04Å; V21-F95 HydrophobicContact CG2-CD1 4.01Å; V21-F95 HydrophobicContact CG2-CE1 4.1Å; L31-F95 HydrophobicContact CD2-CZ 4.42Å; V79-F95 HydrophobicContact CB-CB 4.37Å; V79-F95 HydrophobicContact CG1-CB 4.27Å; V79-F95 HydrophobicContact CG1-CD2 4.33Å; V79-F95 PolarHBondContact O-N 2.77Å; L81-F95 HydrophobicContact CB-CE2 3.73Å; L81-F95 HydrophobicContact CB-CZ 4.41Å; L81-F95 HydrophobicContact CD2-CZ 4.46Å; F95-Q104 HydrophobicContact CB-CB 4.28Å; F95-E107 HydrophobicContact CD1-CB 4.21Å; F95-R108 HydrophobicContact CD2-CB 3.89Å; F95-R108 HydrophobicContact CD2-CG 4.15Å; F95-R108 HydrophobicContact CE2-CB 3.85Å; F95-R108 HydrophobicContact CE2-CG 3.85Å; F95-R108 HydrophobicContact CG-CB 4.3Å; F95-R108 HydrophobicContact CZ-CB 4.22Å; F95-R108 HydrophobicContact CZ-CG 4.47Å; F95-V111 HydrophobicContact CE1-CG2 4.34Å; F95-V111 HydrophobicContact CZ-CB 4.46Å; F95-V111 HydrophobicContact CZ-CG2 4.48Å
96C84.3Confident79.9Confident43 Ų4366.7 Ų66.729%0.29136%0.36SS..  trans-123.733.1-173.7-66.30000112.3Y20Y20-C96 WeakPolarHBondContact O-CB 3.46Å; Y20-C96 PolarHBondContact O-N 3.43Å
97N82.7Confident80.8Confident6 Ų663.1 Ų63.13%0.03234%0.344CS..  trans-54.9130.7-178-163.9-46.3000111.8L99 R103 Q104 E107N97-L99 PolarHBondContact O-N 3.25Å; N97-L99 WeakPolarHBondContact OD1-CB 3.28Å; N97-L99 PolarHBondContact OD1-N 3.35Å; N97-R103 WeakPolarHBondContact ND2-CD 3.39Å; N97-R103 PolarHBondContact ND2-NH1 2.85Å; N97-Q104 HydrophobicContact CB-CG 3.85Å; N97-Q104 PolarHBondContact O-NE2 3.26Å; N97-E107 WeakPolarHBondContact CB-OE2 3.49Å; N97-E107 PolarHBondContact ND2-OE1 2.91Å; N97-E107 PolarHBondContact ND2-OE2 3.17Å
98P78.6Confident81.8Confident93 Ų9358.6 Ų58.660%0.60432%0.318SS*.THydrogen-bonded Turntrans-65.7-15-179.824.6-35.5000115Y20 G100Y20-P98 HydrophobicContact CE1-CG 4.33Å; Y20-P98 HydrophobicContact CE2-CG 4.41Å; P98-G100 PolarHBondContact O-N 2.96Å
99L76.7Confident82.7Confident116 Ų11654.7 Ų54.761%0.60730%0.298SS*.THydrogen-bonded Turntrans-8210.4-177-70.9159.2000114.5N97 R103N97-L99 PolarHBondContact O-N 3.25Å; N97-L99 WeakPolarHBondContact OD1-CB 3.28Å; N97-L99 PolarHBondContact OD1-N 3.35Å; L99-R103 HydrophobicContact CB-CB 4.27Å; L99-R103 HydrophobicContact CB-CG 4.49Å
100G81.6Confident83.4Confident33 Ų3355.3 Ų55.334%0.3430%0.302SS..  trans105.1172.1174.200000114.2P98 E102 R103 Q104P98-G100 PolarHBondContact O-N 2.96Å; G100-E102 VanDerWaalsContact C-N 3.28Å; G100-E102 PolarHBondContact O-N 3.49Å; G100-R103 PolarHBondContact O-N 3.47Å; G100-Q104 WeakPolarHBondContact O-CG 3.17Å; G100-Q104 PolarHBondContact O-N 3.34Å
101T79.6Confident83.7Confident95 Ų9551.5 Ų51.558%0.58328%0.281SS*.Hα-helixtrans-66.6-26.9-174.942.10000113.7Q104 T105T101-Q104 PolarHBondContact O-N 3.12Å; T101-T105 PolarHBondContact O-N 3.48Å; T101-T105 VanDerWaalsContact O-N 3.12Å; T101-T105 PolarHBondContact O-OG1 3.3Å
102E81.3Confident83.8Confident145 Ų14552.9 Ų52.968%0.67829%0.286SS*.Hα-helixtrans-66.8-47.2178.7-168.7171.4-159.500111.2G100 Q104 T105 E106G100-E102 VanDerWaalsContact C-N 3.28Å; G100-E102 PolarHBondContact O-N 3.49Å; E102-Q104 VanDerWaalsContact C-N 3.31Å; E102-Q104 PolarHBondContact O-N 2.97Å; E102-T105 WeakPolarHBondContact CA-OG1 3.23Å; E102-T105 PolarHBondContact O-N 2.88Å; E102-T105 VanDerWaalsContact O-N 3.14Å; E102-T105 PolarHBondContact O-OG1 3.38Å; E102-E106 WeakPolarHBondContact O-CG 3.26Å; E102-E106 PolarHBondContact O-N 3.46Å
103R82.5Confident83.8Confident110 Ų11055.2 Ų55.242%0.41530%0.297SS..Hα-helixtrans-64.9-35.9175.7-129.6-144.7-157.1-179.69.9112.7N97 L99 G100 T105 E106 E107N97-R103 WeakPolarHBondContact ND2-CD 3.39Å; N97-R103 PolarHBondContact ND2-NH1 2.85Å; L99-R103 HydrophobicContact CB-CB 4.27Å; L99-R103 HydrophobicContact CB-CG 4.49Å; G100-R103 PolarHBondContact O-N 3.47Å; R103-T105 VanDerWaalsContact C-N 3.29Å; R103-T105 PolarHBondContact O-N 2.99Å; R103-E106 PolarHBondContact O-N 3.27Å; R103-E107 IonicContact NH1-OE1 3.88Å; R103-E107 WeakPolarHBondContact O-CB 3.33Å; R103-E107 WeakPolarHBondContact O-CG 3.47Å; R103-E107 PolarHBondContact O-N 3.04Å
104Q84.4Confident83.7Confident28 Ų2856.8 Ų56.813%0.13131%0.305CS..Hα-helixtrans-60.9-39.8174.9-67.7169.46.800111.4V79 F95 N97 G100 T101 E102 R108V79-Q104 HydrophobicContact CB-CB 4.12Å; V79-Q104 HydrophobicContact CG1-CB 4.35Å; V79-Q104 HydrophobicContact CG2-CB 3.85Å; F95-Q104 HydrophobicContact CB-CB 4.28Å; N97-Q104 HydrophobicContact CB-CG 3.85Å; N97-Q104 PolarHBondContact O-NE2 3.26Å; G100-Q104 WeakPolarHBondContact O-CG 3.17Å; G100-Q104 PolarHBondContact O-N 3.34Å; T101-Q104 PolarHBondContact O-N 3.12Å; E102-Q104 VanDerWaalsContact C-N 3.31Å; E102-Q104 PolarHBondContact O-N 2.97Å; Q104-R108 WeakPolarHBondContact O-CB 3.25Å; Q104-R108 PolarHBondContact O-N 2.93Å; Q104-R108 VanDerWaalsContact O-N 3.15Å
105T83.2Confident83.4Confident46 Ų4655 Ų5528%0.28230%0.297SS..Hα-helixtrans-70.7-40.5176.241.50000112.8V79 T101 E102 R103 R108 D109V79-T105 HydrophobicContact CG1-CG2 4.39Å; V79-T105 HydrophobicContact CG2-CG2 4.15Å; T101-T105 PolarHBondContact O-N 3.48Å; T101-T105 VanDerWaalsContact O-N 3.12Å; T101-T105 PolarHBondContact O-OG1 3.3Å; E102-T105 WeakPolarHBondContact CA-OG1 3.23Å; E102-T105 PolarHBondContact O-N 2.88Å; E102-T105 VanDerWaalsContact O-N 3.14Å; E102-T105 PolarHBondContact O-OG1 3.38Å; R103-T105 VanDerWaalsContact C-N 3.29Å; R103-T105 PolarHBondContact O-N 2.99Å; T105-R108 PolarHBondContact O-N 3.41Å; T105-D109 WeakPolarHBondContact O-CB 3.46Å; T105-D109 VanDerWaalsContact O-CG 3.24Å; T105-D109 PolarHBondContact O-N 3.28Å
106E86.2Confident83.1Confident109 Ų10959.1 Ų59.151%0.50932%0.316SS..Hα-helixtrans-62.7-45.6176.3-71.7178.2165.500112.3E102 R103 D109 S110E102-E106 WeakPolarHBondContact O-CG 3.26Å; E102-E106 PolarHBondContact O-N 3.46Å; R103-E106 PolarHBondContact O-N 3.27Å; E106-D109 PolarHBondContact O-N 2.84Å; E106-S110 WeakPolarHBondContact O-CB 3.17Å; E106-S110 PolarHBondContact O-N 3.31Å; E106-S110 PolarHBondContact O-OG 3.2Å
107E86Confident82.9Confident33 Ų3360.3 Ų60.315%0.15432%0.322CS..Hα-helixtrans-65-41.5179-74.5177.1163.400111.4V18 F95 N97 R103 V111V18-E107 HydrophobicContact CG1-CB 4.07Å; V18-E107 HydrophobicContact CG1-CG 4.26Å; F95-E107 HydrophobicContact CD1-CB 4.21Å; N97-E107 WeakPolarHBondContact CB-OE2 3.49Å; N97-E107 PolarHBondContact ND2-OE1 2.91Å; N97-E107 PolarHBondContact ND2-OE2 3.17Å; R103-E107 IonicContact NH1-OE1 3.88Å; R103-E107 WeakPolarHBondContact O-CB 3.33Å; R103-E107 WeakPolarHBondContact O-CG 3.47Å; R103-E107 PolarHBondContact O-N 3.04Å; E107-V111 VanDerWaalsContact O-CG2 3.3Å; E107-V111 WeakPolarHBondContact O-CG2 3.41Å; E107-V111 PolarHBondContact O-N 3.48Å
108R85.7Confident82.6Confident18 Ų1860.8 Ų60.87%0.06832%0.324CS..Hα-helixtrans-59.5-48.4173.8179.8-155.264.3-156-7.6111.2I71 S72 V79 F95 Q104 T105 V111 K112I71-R108 HydrophobicContact CG2-CG 4.38Å; S72-R108 PolarHBondContact O-NH1 2.92Å; S72-R108 PolarHBondContact OG-NH1 3.46Å; V79-R108 HydrophobicContact CG1-CB 3.89Å; V79-R108 HydrophobicContact CG1-CG 4.22Å; F95-R108 HydrophobicContact CD2-CB 3.89Å; F95-R108 HydrophobicContact CD2-CG 4.15Å; F95-R108 HydrophobicContact CE2-CB 3.85Å; F95-R108 HydrophobicContact CE2-CG 3.85Å; F95-R108 HydrophobicContact CG-CB 4.3Å; F95-R108 HydrophobicContact CZ-CB 4.22Å; F95-R108 HydrophobicContact CZ-CG 4.47Å; Q104-R108 WeakPolarHBondContact O-CB 3.25Å; Q104-R108 PolarHBondContact O-N 2.93Å; Q104-R108 VanDerWaalsContact O-N 3.15Å; T105-R108 PolarHBondContact O-N 3.41Å; R108-V111 PolarHBondContact O-N 3.36Å; R108-K112 VanDerWaalsContact O-CB 3.27Å; R108-K112 WeakPolarHBondContact O-CB 3.23Å; R108-K112 PolarHBondContact O-N 3.5Å
109D84.9Confident82.2Confident51 Ų5157.5 Ų57.527%0.27330%0.301SS..Hα-helixtrans-69.7-36.6-175.2-69.6-18.3000111.6T105 E106 K112 D113T105-D109 WeakPolarHBondContact O-CB 3.46Å; T105-D109 VanDerWaalsContact O-CG 3.24Å; T105-D109 PolarHBondContact O-N 3.28Å; E106-D109 PolarHBondContact O-N 2.84Å; D109-K112 PolarHBondContact O-N 2.96Å; D109-D113 WeakPolarHBondContact O-CB 3.33Å; D109-D113 VanDerWaalsContact O-CG 3.29Å; D109-D113 PolarHBondContact O-N 2.8Å
110S86.2Confident81.9Confident59 Ų5954.9 Ų54.941%0.41329%0.292SS..Hα-helixtrans-60.1-47171.5-58.70000112.2E106 L114E106-S110 WeakPolarHBondContact O-CB 3.17Å; E106-S110 PolarHBondContact O-N 3.31Å; E106-S110 PolarHBondContact O-OG 3.2Å; S110-L114 VanDerWaalsContact O-CB 3.28Å; S110-L114 WeakPolarHBondContact O-CB 3.35Å; S110-L114 PolarHBondContact O-N 3.44Å
111V85.5Confident81.2Confident0 Ų059.7 Ų59.70%030%0.304CS..Hα-helixtrans-64.7-42.1177.2171.50000111.1M16 V18 L31 V33 L81 F95 E107 R108 L114 L115M16-V111 HydrophobicContact CE-CG2 4.22Å; M16-V111 HydrophobicContact SD-CG2 4.02Å; V18-V111 HydrophobicContact CG2-CG2 3.68Å; L31-V111 HydrophobicContact CD2-CG1 4.05Å; L31-V111 HydrophobicContact CD2-CG2 4.42Å; V33-V111 HydrophobicContact CG2-CG1 4.33Å; L81-V111 HydrophobicContact CD2-CG1 3.83Å; F95-V111 HydrophobicContact CE1-CG2 4.34Å; F95-V111 HydrophobicContact CZ-CB 4.46Å; F95-V111 HydrophobicContact CZ-CG2 4.48Å; E107-V111 VanDerWaalsContact O-CG2 3.3Å; E107-V111 WeakPolarHBondContact O-CG2 3.41Å; E107-V111 PolarHBondContact O-N 3.48Å; R108-V111 PolarHBondContact O-N 3.36Å; V111-L114 PolarHBondContact O-N 2.69Å; V111-L115 HydrophobicContact CG1-CD1 3.83Å; V111-L115 HydrophobicContact CG1-CG 4.34Å; V111-L115 VanDerWaalsContact O-CB 3.3Å; V111-L115 WeakPolarHBondContact O-CB 3.34Å; V111-L115 VanDerWaalsContact O-CG 3.25Å; V111-L115 WeakPolarHBondContact O-CG 3.47Å; V111-L115 PolarHBondContact O-N 2.89Å
112K84.5Confident80.3Confident54 Ų5458.5 Ų58.524%0.23529%0.291CS..Hα-helixtrans-62.8-44.6178.8173.4-142.2166.2-145.70111.9Q69 I71 R108 D109 L115 Q116Q69-K112 VanDerWaalsContact NE2-CG 3.32Å; Q69-K112 PolarHBondContact NE2-O 3.08Å; Q69-K112 VanDerWaalsContact NE2-O 3.11Å; I71-K112 HydrophobicContact CD1-CD 4.28Å; I71-K112 HydrophobicContact CG2-CD 4.16Å; I71-K112 HydrophobicContact CG2-CG 4.19Å; R108-K112 VanDerWaalsContact O-CB 3.27Å; R108-K112 WeakPolarHBondContact O-CB 3.23Å; R108-K112 PolarHBondContact O-N 3.5Å; D109-K112 PolarHBondContact O-N 2.96Å; K112-L115 PolarHBondContact O-N 2.93Å; K112-Q116 WeakPolarHBondContact O-CB 3.38Å; K112-Q116 PolarHBondContact O-N 3.37Å
113D85Confident79.1Confident80 Ų8057.8 Ų57.843%0.42829%0.286SS..Hα-helixtrans-72.4-35.9-178.9-69.7-11.7000111.2D109 Q116 T117D109-D113 WeakPolarHBondContact O-CB 3.33Å; D109-D113 VanDerWaalsContact O-CG 3.29Å; D109-D113 PolarHBondContact O-N 2.8Å; D113-Q116 PolarHBondContact O-N 3.42Å; D113-T117 PolarHBondContact O-N 2.91Å; D113-T117 PolarHBondContact O-OG1 3Å
114L84.1Confident77.6Confident34 Ų3463 Ų6318%0.17831%0.305CS..Hα-helixtrans-64-46.7171.9-173.163.3000111.3I15 M16 V33 S110 V111 Q116 T117 M118I15-L114 HydrophobicContact CB-CD2 4.32Å; I15-L114 HydrophobicContact CG2-CD1 4.03Å; I15-L114 HydrophobicContact CG2-CD2 3.92Å; M16-L114 HydrophobicContact CB-CD2 3.84Å; M16-L114 HydrophobicContact SD-CD2 4.4Å; V33-L114 HydrophobicContact CB-CD2 3.96Å; V33-L114 HydrophobicContact CG1-CD2 3.58Å; V33-L114 HydrophobicContact CG1-CG 4.13Å; V33-L114 HydrophobicContact CG2-CD2 4.47Å; S110-L114 VanDerWaalsContact O-CB 3.28Å; S110-L114 WeakPolarHBondContact O-CB 3.35Å; S110-L114 PolarHBondContact O-N 3.44Å; V111-L114 PolarHBondContact O-N 2.69Å; L114-Q116 VanDerWaalsContact C-N 3.32Å; L114-Q116 PolarHBondContact O-N 3.36Å; L114-T117 WeakPolarHBondContact O-CB 3.45Å; L114-T117 PolarHBondContact O-N 3.46Å; L114-T117 VanDerWaalsContact O-N 3.15Å; L114-M118 HydrophobicContact CD1-CE 3.75Å; L114-M118 HydrophobicContact CG-CE 4.41Å; L114-M118 WeakPolarHBondContact O-CG 3.2Å; L114-M118 PolarHBondContact O-N 3.46Å
115L81.6Confident76Confident1 Ų164.8 Ų64.81%0.00532%0.318CS..Hα-helixtrans-59.2-42.4174.4-79.6170.9000111.6I38 Y54 L81 I83 V111 K112 T117 M118 I119I38-L115 HydrophobicContact CD1-CD1 4.2Å; I38-L115 HydrophobicContact CD1-CD2 4.25Å; Y54-L115 HydrophobicContact CD1-CD2 4.29Å; Y54-L115 HydrophobicContact CE1-CD2 3.55Å; L81-L115 HydrophobicContact CD2-CD1 3.93Å; I83-L115 HydrophobicContact CD1-CD1 4.2Å; V111-L115 HydrophobicContact CG1-CD1 3.83Å; V111-L115 HydrophobicContact CG1-CG 4.34Å; V111-L115 VanDerWaalsContact O-CB 3.3Å; V111-L115 WeakPolarHBondContact O-CB 3.34Å; V111-L115 VanDerWaalsContact O-CG 3.25Å; V111-L115 WeakPolarHBondContact O-CG 3.47Å; V111-L115 PolarHBondContact O-N 2.89Å; K112-L115 PolarHBondContact O-N 2.93Å; L115-T117 VanDerWaalsContact C-N 3.28Å; L115-T117 PolarHBondContact O-N 3.42Å; L115-M118 PolarHBondContact O-N 3.48Å; L115-I119 HydrophobicContact CB-CD1 4.48Å; L115-I119 WeakPolarHBondContact O-CB 3.41Å; L115-I119 WeakPolarHBondContact O-CD1 3.5Å; L115-I119 WeakPolarHBondContact O-CG1 3.45Å; L115-I119 PolarHBondContact O-N 3.26Å
116Q80.5Confident74.5Confident88 Ų8865.2 Ų65.241%0.41132%0.322SS..Hα-helixtrans-63.3-36.3177.1-171.5167.1-13.300112.1K112 D113 L114 S120K112-Q116 WeakPolarHBondContact O-CB 3.38Å; K112-Q116 PolarHBondContact O-N 3.37Å; D113-Q116 PolarHBondContact O-N 3.42Å; L114-Q116 VanDerWaalsContact C-N 3.32Å; L114-Q116 PolarHBondContact O-N 3.36Å; Q116-S120 WeakPolarHBondContact O-CB 3.43Å; Q116-S120 PolarHBondContact O-N 3.27Å; Q116-S120 PolarHBondContact O-OG 3.48Å
117T80.9Confident73.2Confident67 Ų6763.3 Ų63.341%0.41132%0.32SS..Hα-helixtrans-69-41.7174.1-55.10000111.5D113 L114 L115 S120 K121D113-T117 PolarHBondContact O-N 2.91Å; D113-T117 PolarHBondContact O-OG1 3Å; L114-T117 WeakPolarHBondContact O-CB 3.45Å; L114-T117 PolarHBondContact O-N 3.46Å; L114-T117 VanDerWaalsContact O-N 3.15Å; L115-T117 VanDerWaalsContact C-N 3.28Å; L115-T117 PolarHBondContact O-N 3.42Å; T117-S120 WeakPolarHBondContact CA-OG 3.38Å; T117-S120 PolarHBondContact O-N 3.03Å; T117-S120 PolarHBondContact O-OG 3.43Å; T117-K121 WeakPolarHBondContact O-CG 3.31Å; T117-K121 PolarHBondContact O-N 3Å
118M75.9Confident72.3Confident17 Ų1765.2 Ų65.28%0.08434%0.342CS..Hα-helixtrans-68.9-45.5177.9-65.9-56.3162.100112.1I15 Y54 L114 L115 S120 K121 F122I15-M118 HydrophobicContact CD1-CE 3.18Å; I15-M118 HydrophobicContact CD1-SD 4.27Å; Y54-M118 HydrophobicContact CD2-CB 4.14Å; Y54-M118 HydrophobicContact CE1-CB 4.29Å; Y54-M118 HydrophobicContact CE2-CB 3.81Å; Y54-M118 HydrophobicContact CE2-CG 4.04Å; L114-M118 HydrophobicContact CD1-CE 3.75Å; L114-M118 HydrophobicContact CG-CE 4.41Å; L114-M118 WeakPolarHBondContact O-CG 3.2Å; L114-M118 PolarHBondContact O-N 3.46Å; L115-M118 PolarHBondContact O-N 3.48Å; M118-S120 VanDerWaalsContact C-N 3.26Å; M118-S120 PolarHBondContact O-N 3.28Å; M118-K121 PolarHBondContact O-N 3.42Å; M118-K121 VanDerWaalsContact O-N 3.11Å; M118-F122 WeakPolarHBondContact O-CD2 3.18Å; M118-F122 PolarHBondContact O-N 3.39Å
119I70.8Confident71.4Confident23 Ų2369.2 Ų69.212%0.11836%0.364CS..Hα-helixtrans-60.4-38.1175.8-66.3163000110.3A68 L115 K123A68-I119 HydrophobicContact CB-CD1 4.3Å; L115-I119 HydrophobicContact CB-CD1 4.48Å; L115-I119 WeakPolarHBondContact O-CB 3.41Å; L115-I119 WeakPolarHBondContact O-CD1 3.5Å; L115-I119 WeakPolarHBondContact O-CG1 3.45Å; L115-I119 PolarHBondContact O-N 3.26Å; I119-K123 HydrophobicContact CG2-CD 4.46Å; I119-K123 HydrophobicContact CG2-CG 4.5Å; I119-K123 WeakPolarHBondContact O-CB 3.36Å; I119-K123 VanDerWaalsContact O-CG 3.24Å; I119-K123 WeakPolarHBondContact O-CG 3.31Å; I119-K123 PolarHBondContact O-N 3.48Å
120S69.7Low70.8Confident61 Ų6171 Ų7143%0.42737%0.373SS..Hα-helixtrans-70.5-32.2176.358.20000113.4Q116 T117 M118Q116-S120 WeakPolarHBondContact O-CB 3.43Å; Q116-S120 PolarHBondContact O-N 3.27Å; Q116-S120 PolarHBondContact O-OG 3.48Å; T117-S120 WeakPolarHBondContact CA-OG 3.38Å; T117-S120 PolarHBondContact O-N 3.03Å; T117-S120 PolarHBondContact O-OG 3.43Å; M118-S120 VanDerWaalsContact C-N 3.26Å; M118-S120 PolarHBondContact O-N 3.28Å
121K67.1Low70.2Confident134 Ų13473.5 Ų73.558%0.58338%0.379SS*.Hα-helixtrans-68.2-44.3170.6-72.8-179.9178.3-175.50112.3T117 M118 K123 R124T117-K121 WeakPolarHBondContact O-CG 3.31Å; T117-K121 PolarHBondContact O-N 3Å; M118-K121 PolarHBondContact O-N 3.42Å; M118-K121 VanDerWaalsContact O-N 3.11Å; K121-K123 VanDerWaalsContact C-N 3.32Å; K121-K123 PolarHBondContact O-N 3.36Å; K121-R124 WeakPolarHBondContact O-CB 3.25Å; K121-R124 PolarHBondContact O-N 3.42Å; K121-R124 VanDerWaalsContact O-N 3.07Å
122F60.4Low69.8Low70 Ų7076.5 Ų76.531%0.30739%0.393SS..Hα-helixtrans-73.7-19.6176.3-84.8-91.9000113.7Q35 T36 Y54 M118 R124 V125Q35-F122 VanDerWaalsContact O-CE2 3.25Å; Q35-F122 WeakPolarHBondContact O-CE2 3.43Å; T36-F122 HydrophobicContact CG2-CZ 4.5Å; Y54-F122 AromaticContact CD2-CD2 3.8Å; Y54-F122 HydrophobicContact CD2-CD2 3.8Å; Y54-F122 AromaticContact CD2-CE2 3.63Å; Y54-F122 HydrophobicContact CD2-CE2 3.63Å; Y54-F122 HydrophobicContact CD2-CZ 4.28Å; Y54-F122 HydrophobicContact CE2-CE2 4.4Å; Y54-F122 HydrophobicContact CG-CD2 4.34Å; M118-F122 WeakPolarHBondContact O-CD2 3.18Å; M118-F122 PolarHBondContact O-N 3.39Å; F122-R124 PolarHBondContact O-N 2.96Å; F122-V125 HydrophobicContact CB-CG2 4.28Å; F122-V125 HydrophobicContact CD1-CG2 3.65Å; F122-V125 HydrophobicContact CE1-CG2 4.46Å; F122-V125 HydrophobicContact CG-CG2 4.37Å; F122-V125 WeakPolarHBondContact O-CB 3.5Å; F122-V125 WeakPolarHBondContact O-CG2 3.4Å; F122-V125 PolarHBondContact O-N 3.12Å
123K55.8Low69.6Low131 Ų13176.2 Ų76.257%0.5739%0.391SS*.THydrogen-bonded Turntrans-62.1-18.1165.6-84.3176.8-179.9-177.80112.6P65 I119 K121P65-K123 PolarHBondContact O-NZ 2.91Å; I119-K123 HydrophobicContact CG2-CD 4.46Å; I119-K123 HydrophobicContact CG2-CG 4.5Å; I119-K123 WeakPolarHBondContact O-CB 3.36Å; I119-K123 VanDerWaalsContact O-CG 3.24Å; I119-K123 WeakPolarHBondContact O-CG 3.31Å; I119-K123 PolarHBondContact O-N 3.48Å; K121-K123 VanDerWaalsContact C-N 3.32Å; K121-K123 PolarHBondContact O-N 3.36Å
124R50.5Low69.5Low218 Ų21877.4 Ų77.482%0.82339%0.394SS*.THydrogen-bonded Turntrans-95.618169.5-63.7-174.1179.1-176.7-0.6113.1K121 F122 P126K121-R124 WeakPolarHBondContact O-CB 3.25Å; K121-R124 PolarHBondContact O-N 3.42Å; K121-R124 VanDerWaalsContact O-N 3.07Å; F122-R124 PolarHBondContact O-N 2.96Å; R124-P126 WeakPolarHBondContact O-CD 3.46Å; R124-P126 VanDerWaalsContact O-N 3.08Å
125V52.4Low69.4Low66 Ų6682 Ų8240%0.441%0.413SS..PPolyproline II helixtrans-53.5120.2164.5168.40000106.2F122 S127F122-V125 HydrophobicContact CB-CG2 4.28Å; F122-V125 HydrophobicContact CD1-CG2 3.65Å; F122-V125 HydrophobicContact CE1-CG2 4.46Å; F122-V125 HydrophobicContact CG-CG2 4.37Å; F122-V125 WeakPolarHBondContact O-CB 3.5Å; F122-V125 WeakPolarHBondContact O-CG2 3.4Å; F122-V125 PolarHBondContact O-N 3.12Å; V125-S127 PolarHBondContact O-N 3.48Å
126P51.9Low69.5Low56 Ų5681.9 Ų81.936%0.36441%0.413SS..PPolyproline II helixtrans-48.6131.4174.9-25.234.4000107.9R124 A128 L130 E131R124-P126 WeakPolarHBondContact O-CD 3.46Å; R124-P126 VanDerWaalsContact O-N 3.08Å; P126-A128 PolarHBondContact O-N 3.4Å; P126-L130 HydrophobicContact CB-CB 3.87Å; P126-L130 HydrophobicContact CB-CD2 3.65Å; P126-L130 HydrophobicContact CB-CG 4.36Å; P126-L130 HydrophobicContact CG-CD2 4.29Å; P126-E131 HydrophobicContact CB-CG 4.25Å
127S58.7Low69.8Low68 Ų6878.5 Ų78.548%0.47640%0.397SS..PPolyproline II helixtrans-46.4141.4171.847.20000108.5V125 D129 L130 E131V125-S127 PolarHBondContact O-N 3.48Å; S127-D129 CarbonylContact O-C 3.51Å; S127-D129 PolarHBondContact O-N 3.36Å; S127-L130 WeakPolarHBondContact O-CA 3.41Å; S127-L130 WeakPolarHBondContact O-CB 3.29Å; S127-L130 PolarHBondContact O-N 2.97Å; S127-E131 PolarHBondContact O-N 2.96Å
128A65.4Low69.9Low73 Ų7381.9 Ų81.960%0.60341%0.408SS*.Hα-helixtrans-46.6-32.8176.700000111.7P126 L130 E131 Q132P126-A128 PolarHBondContact O-N 3.4Å; A128-L130 PolarHBondContact O-N 2.88Å; A128-E131 PolarHBondContact O-N 3.21Å; A128-Q132 WeakPolarHBondContact O-CB 3.17Å; A128-Q132 PolarHBondContact O-N 2.86Å
129D67.5Low70.4Confident102 Ų10284.9 Ų84.955%0.54543%0.427SS..Hα-helixtrans-56.7-38.9171.7-52.3-8.1000114.3S127 K133S127-D129 CarbonylContact O-C 3.51Å; S127-D129 PolarHBondContact O-N 3.36Å; D129-K133 WeakPolarHBondContact O-CB 3.28Å; D129-K133 WeakPolarHBondContact O-CD 3.5Å; D129-K133 WeakPolarHBondContact O-CG 3.46Å; D129-K133 PolarHBondContact O-N 3.26Å
130L73Confident71Confident88 Ų8887.2 Ų87.246%0.46144%0.438SS..Hα-helixtrans-72.8-39.7178.6-160.798.6000111.1P126 S127 A128 K133 Q134P126-L130 HydrophobicContact CB-CB 3.87Å; P126-L130 HydrophobicContact CB-CD2 3.65Å; P126-L130 HydrophobicContact CB-CG 4.36Å; P126-L130 HydrophobicContact CG-CD2 4.29Å; S127-L130 WeakPolarHBondContact O-CA 3.41Å; S127-L130 WeakPolarHBondContact O-CB 3.29Å; S127-L130 PolarHBondContact O-N 2.97Å; A128-L130 PolarHBondContact O-N 2.88Å; L130-K133 PolarHBondContact O-N 3.03Å; L130-Q134 VanDerWaalsContact O-CB 3.31Å; L130-Q134 WeakPolarHBondContact O-CB 3.48Å; L130-Q134 PolarHBondContact O-N 2.88Å
131E73.8Confident71.6Confident112 Ų11288.4 Ų88.452%0.52344%0.444SS..Hα-helixtrans-65-42.6174.5-66-174.5170.200110.8P126 S127 A128 Q134 K135P126-E131 HydrophobicContact CB-CG 4.25Å; S127-E131 PolarHBondContact O-N 2.96Å; A128-E131 PolarHBondContact O-N 3.21Å; E131-Q134 PolarHBondContact O-N 3.22Å; E131-K135 WeakPolarHBondContact O-CB 3.43Å; E131-K135 PolarHBondContact O-N 2.96Å
132Q75.4Confident72.4Confident64 Ų6487.1 Ų87.130%0.29944%0.44SS..Hα-helixtrans-62.5-46.8174-173.2178.6-4.100111.3A128 Q134 K135 I136A128-Q132 WeakPolarHBondContact O-CB 3.17Å; A128-Q132 PolarHBondContact O-N 2.86Å; Q132-Q134 VanDerWaalsContact C-N 3.32Å; Q132-Q134 PolarHBondContact O-N 3.07Å; Q132-K135 WeakPolarHBondContact O-CB 3.38Å; Q132-K135 PolarHBondContact O-N 3.05Å; Q132-K135 VanDerWaalsContact O-N 3.14Å; Q132-I136 HydrophobicContact CG-CD1 4.04Å; Q132-I136 VanDerWaalsContact O-CG1 3.32Å; Q132-I136 WeakPolarHBondContact O-CG1 3.29Å; Q132-I136 PolarHBondContact O-N 3.46Å
133K82Confident73.5Confident47 Ų4784.5 Ų84.520%0.20443%0.429CS..Hα-helixtrans-56.1-44.6174-82.2171.8175.9-170.10112.2D129 L130 K135 I136 L137 W162 M170D129-K133 WeakPolarHBondContact O-CB 3.28Å; D129-K133 WeakPolarHBondContact O-CD 3.5Å; D129-K133 WeakPolarHBondContact O-CG 3.46Å; D129-K133 PolarHBondContact O-N 3.26Å; L130-K133 PolarHBondContact O-N 3.03Å; K133-K135 VanDerWaalsContact C-N 3.35Å; K133-I136 PolarHBondContact O-N 2.84Å; K133-L137 WeakPolarHBondContact O-CG 3.33Å; K133-L137 PolarHBondContact O-N 3.06Å; K133-W162 HydrophobicContact CB-CE3 4.46Å; K133-W162 HydrophobicContact CB-CH2 3.33Å; K133-W162 HydrophobicContact CB-CZ2 3.46Å; K133-W162 VanDerWaalsContact CB-CZ2 3.46Å; K133-W162 HydrophobicContact CB-CZ3 3.89Å; K133-W162 HydrophobicContact CD-CD2 3.79Å; K133-W162 VanDerWaalsContact CD-CE2 3.47Å; K133-W162 HydrophobicContact CD-CE3 4.36Å; K133-W162 HydrophobicContact CD-CG 4.14Å; K133-W162 HydrophobicContact CD-CH2 4.31Å; K133-W162 HydrophobicContact CD-CZ2 3.79Å; K133-W162 HydrophobicContact CG-CD2 3.76Å; K133-W162 HydrophobicContact CG-CE3 3.81Å; K133-W162 HydrophobicContact CG-CH2 3.6Å; K133-W162 HydrophobicContact CG-CZ2 3.6Å; K133-W162 HydrophobicContact CG-CZ3 3.72Å; K133-W162 VanDerWaalsContact NZ-CD1 3.26Å; K133-W162 VanDerWaalsContact O-CH2 3.32Å; K133-W162 WeakPolarHBondContact O-CH2 3.39Å; K133-M170 HydrophobicContact CD-CE 4.35Å; K133-M170 HydrophobicContact CG-CE 3.58Å
134Q81.4Confident74.9Confident105 Ų10581.2 Ų81.249%0.49142%0.418SS..Hα-helixtrans-64.7-40.1176.5-176.7175.5-13.100111.6L130 E131 Q132 L137 Q138L130-Q134 VanDerWaalsContact O-CB 3.31Å; L130-Q134 WeakPolarHBondContact O-CB 3.48Å; L130-Q134 PolarHBondContact O-N 2.88Å; E131-Q134 PolarHBondContact O-N 3.22Å; Q132-Q134 VanDerWaalsContact C-N 3.32Å; Q132-Q134 PolarHBondContact O-N 3.07Å; Q134-L137 PolarHBondContact O-N 3.42Å; Q134-Q138 WeakPolarHBondContact O-CG 3.27Å; Q134-Q138 PolarHBondContact O-N 3.12Å
135K83.3Confident76.5Confident130 Ų13076.7 Ų76.757%0.56540%0.404SS*.Hα-helixtrans-62.7-44.9174.8-169.4-177.7179.2-172.50111.6E131 Q132 K133 L137 Q138 T139E131-K135 WeakPolarHBondContact O-CB 3.43Å; E131-K135 PolarHBondContact O-N 2.96Å; Q132-K135 WeakPolarHBondContact O-CB 3.38Å; Q132-K135 PolarHBondContact O-N 3.05Å; Q132-K135 VanDerWaalsContact O-N 3.14Å; K133-K135 VanDerWaalsContact C-N 3.35Å; K135-L137 VanDerWaalsContact C-N 3.32Å; K135-L137 PolarHBondContact O-N 2.9Å; K135-Q138 PolarHBondContact O-N 3.36Å; K135-Q138 VanDerWaalsContact O-N 3.11Å; K135-T139 PolarHBondContact O-N 3.27Å; K135-T139 PolarHBondContact O-OG1 3.15Å; K135-T139 VanDerWaalsContact O-OG1 3.11Å
136I84Confident78Confident0 Ų073.7 Ų73.70%039%0.386CS..Hα-helixtrans-57-45.5175.6-72.4163000110.9Q132 K133 Q138 T139 H140 L143 W162 V169 M170 E173Q132-I136 HydrophobicContact CG-CD1 4.04Å; Q132-I136 VanDerWaalsContact O-CG1 3.32Å; Q132-I136 WeakPolarHBondContact O-CG1 3.29Å; Q132-I136 PolarHBondContact O-N 3.46Å; K133-I136 PolarHBondContact O-N 2.84Å; I136-Q138 VanDerWaalsContact C-N 3.31Å; I136-Q138 PolarHBondContact O-N 2.89Å; I136-T139 PolarHBondContact O-N 3.12Å; I136-H140 PolarHBondContact O-N 3.14Å; I136-L143 HydrophobicContact CG2-CD2 3.63Å; I136-W162 HydrophobicContact CG2-CZ3 4.32Å; I136-V169 HydrophobicContact CG2-CG1 3.7Å; I136-M170 HydrophobicContact CD1-CE 3.99Å; I136-M170 HydrophobicContact CD1-CG 3.62Å; I136-E173 WeakPolarHBondContact CD1-OE2 3.44Å; I136-E173 HydrophobicContact CG1-CG 4.37Å; I136-E173 WeakPolarHBondContact CG1-OE1 3.49Å; I136-E173 WeakPolarHBondContact CG1-OE2 3.32Å
137L85.3Confident79.7Confident17 Ų1773.9 Ų73.99%0.08938%0.38CS..Hα-helixtrans-65.9-32.7178.1-71168.1000112.6K133 Q134 K135 L143 L144 Y147 W162K133-L137 WeakPolarHBondContact O-CG 3.33Å; K133-L137 PolarHBondContact O-N 3.06Å; Q134-L137 PolarHBondContact O-N 3.42Å; K135-L137 VanDerWaalsContact C-N 3.32Å; K135-L137 PolarHBondContact O-N 2.9Å; L137-L143 HydrophobicContact CD2-CD2 4.23Å; L137-L143 HydrophobicContact CD2-CG 4.05Å; L137-L144 HydrophobicContact CB-CD1 4.09Å; L137-L144 HydrophobicContact CD2-CD1 4.48Å; L137-Y147 HydrophobicContact CD1-CD1 4.29Å; L137-Y147 HydrophobicContact CD1-CD2 4.39Å; L137-Y147 HydrophobicContact CD1-CE1 4.49Å; L137-Y147 HydrophobicContact CD1-CG 4.24Å; L137-Y147 HydrophobicContact CD2-CD2 4.4Å; L137-Y147 HydrophobicContact CD2-CG 4.08Å; L137-W162 HydrophobicContact CD1-CH2 3.5Å; L137-W162 HydrophobicContact CD1-CZ2 3.86Å; L137-W162 HydrophobicContact CD2-CH2 4.1Å; L137-W162 HydrophobicContact CG-CH2 3.58Å; L137-W162 HydrophobicContact CG-CZ2 4.41Å; L137-W162 HydrophobicContact CG-CZ3 4.31Å
138Q83.8Confident80.9Confident138 Ų13875.5 Ų75.565%0.64538%0.38SS*.Hα-helixtrans-74.1-37.1175.1-71.9175.90.800112.5Q134 K135 I136Q134-Q138 WeakPolarHBondContact O-CG 3.27Å; Q134-Q138 PolarHBondContact O-N 3.12Å; K135-Q138 PolarHBondContact O-N 3.36Å; K135-Q138 VanDerWaalsContact O-N 3.11Å; I136-Q138 VanDerWaalsContact C-N 3.31Å; I136-Q138 PolarHBondContact O-N 2.89Å
139T85.7Confident81.7Confident79 Ų7974.1 Ų74.149%0.48536%0.362SS..Hα-helixtrans-70.9-34.1178.4-600000111.8K135 I136 P141K135-T139 PolarHBondContact O-N 3.27Å; K135-T139 PolarHBondContact O-OG1 3.15Å; K135-T139 VanDerWaalsContact O-OG1 3.11Å; I136-T139 PolarHBondContact O-N 3.12Å; T139-P141 WeakPolarHBondContact O-CD 3.42Å
140H83.3Confident82.5Confident73 Ų7369.2 Ų69.234%0.33834%0.336SS..  trans-115.593.4-176.3-65.1-74.8000112.7I136 E142 L143 L144 V169I136-H140 PolarHBondContact O-N 3.14Å; H140-E142 VanDerWaalsContact C-N 3.32Å; H140-E142 PolarHBondContact O-N 2.66Å; H140-L143 HydrophobicContact CB-CB 3.91Å; H140-L143 WeakPolarHBondContact O-CB 3.45Å; H140-L143 PolarHBondContact O-N 2.98Å; H140-L143 VanDerWaalsContact O-N 3.08Å; H140-L144 PolarHBondContact O-N 3Å; H140-L144 VanDerWaalsContact O-N 3.12Å; H140-V169 WeakPolarHBondContact CD2-CG1 3.46Å; H140-V169 WeakPolarHBondContact NE2-CG1 3.41Å
141P83.9Confident83.1Confident85 Ų8566.2 Ų66.255%0.55232%0.321SS*.Hα-helixtrans-65.1-30.9-176.425.2-34.4000113.7T139 L143 L144 K145T139-P141 WeakPolarHBondContact O-CD 3.42Å; P141-L143 VanDerWaalsContact C-N 3.3Å; P141-L143 PolarHBondContact O-N 3.09Å; P141-L144 PolarHBondContact O-N 3.29Å; P141-K145 WeakPolarHBondContact O-CG 3.36Å; P141-K145 PolarHBondContact O-N 2.84Å
142E82.2Confident83.5Confident107 Ų10766.1 Ų66.150%0.533%0.328SS..Hα-helixtrans-59-42.3172.6-61.5-73.2169.500111.3H140 K145 L146 F461H140-E142 VanDerWaalsContact C-N 3.32Å; H140-E142 PolarHBondContact O-N 2.66Å; E142-K145 PolarHBondContact O-N 3.3Å; E142-L146 PolarHBondContact O-N 3.49Å; E142-L146 VanDerWaalsContact O-N 3.15Å; E142-F461 HydrophobicContact CB-CZ 4.08Å; E142-F461 VanDerWaalsContact OE2-CE2 3.29Å; E142-F461 WeakPolarHBondContact OE2-CE2 3.39Å; E142-F461 VanDerWaalsContact OE2-CZ 3.22Å; E142-F461 WeakPolarHBondContact OE2-CZ 3.2Å
143L85Confident83.7Confident15 Ų1566.5 Ų66.58%0.07934%0.335CS..Hα-helixtrans-72.9-35.1180-172.669000111.4I136 L137 H140 P141 L146 Y147 F161 F165 A166I136-L143 HydrophobicContact CG2-CD2 3.63Å; L137-L143 HydrophobicContact CD2-CD2 4.23Å; L137-L143 HydrophobicContact CD2-CG 4.05Å; H140-L143 HydrophobicContact CB-CB 3.91Å; H140-L143 WeakPolarHBondContact O-CB 3.45Å; H140-L143 PolarHBondContact O-N 2.98Å; H140-L143 VanDerWaalsContact O-N 3.08Å; P141-L143 VanDerWaalsContact C-N 3.3Å; P141-L143 PolarHBondContact O-N 3.09Å; L143-L146 PolarHBondContact O-N 3.48Å; L143-Y147 WeakPolarHBondContact O-CB 3.35Å; L143-Y147 PolarHBondContact O-N 3.33Å; L143-F161 HydrophobicContact CD1-CE1 3.98Å; L143-F161 HydrophobicContact CD1-CZ 3.53Å; L143-F161 HydrophobicContact CG-CE1 4.25Å; L143-F161 HydrophobicContact CG-CZ 3.98Å; L143-F165 HydrophobicContact CD1-CB 4.18Å; L143-A166 HydrophobicContact CD1-CB 4.44Å; L143-A166 HydrophobicContact CD2-CB 4.01Å
144L85.6Confident83.7Confident63 Ų6367 Ų6733%0.3335%0.354SS..Hα-helixtrans-62-46.8173.1-177.669.3000111.4L137 H140 P141 L146 Y147 E148L137-L144 HydrophobicContact CB-CD1 4.09Å; L137-L144 HydrophobicContact CD2-CD1 4.48Å; H140-L144 PolarHBondContact O-N 3Å; H140-L144 VanDerWaalsContact O-N 3.12Å; P141-L144 PolarHBondContact O-N 3.29Å; L144-L146 VanDerWaalsContact C-N 3.28Å; L144-L146 PolarHBondContact O-N 2.79Å; L144-Y147 WeakPolarHBondContact O-CB 3.46Å; L144-Y147 PolarHBondContact O-N 2.73Å; L144-Y147 VanDerWaalsContact O-N 3.13Å; L144-E148 WeakPolarHBondContact O-CG 3.45Å; L144-E148 PolarHBondContact O-N 3.04Å
145K84Confident83.6Confident122 Ų12262.4 Ų62.453%0.5333%0.332SS..Hα-helixtrans-56.7-45175.4-71.9178.7-178175.70111.3P141 E142 Y147 E148 D149P141-K145 WeakPolarHBondContact O-CG 3.36Å; P141-K145 PolarHBondContact O-N 2.84Å; E142-K145 PolarHBondContact O-N 3.3Å; K145-Y147 PolarHBondContact O-N 2.66Å; K145-E148 PolarHBondContact O-N 3.39Å; K145-D149 WeakPolarHBondContact O-CB 3.46Å; K145-D149 PolarHBondContact O-N 3.18Å
146L84.1Confident83.5Confident4 Ų456.8 Ų56.82%0.02131%0.308CS..Hα-helixtrans-64.5-39.5177.7-167.266000112.3E142 L143 L144 L150 F161 F165 F461 V462 E465E142-L146 PolarHBondContact O-N 3.49Å; E142-L146 VanDerWaalsContact O-N 3.15Å; L143-L146 PolarHBondContact O-N 3.48Å; L144-L146 VanDerWaalsContact C-N 3.28Å; L144-L146 PolarHBondContact O-N 2.79Å; L146-L150 HydrophobicContact CD1-CD1 3.58Å; L146-L150 HydrophobicContact CD1-CG 4.13Å; L146-L150 HydrophobicContact CD2-CD1 4.45Å; L146-L150 HydrophobicContact CG-CD1 3.73Å; L146-L150 HydrophobicContact CG-CG 4.44Å; L146-L150 VanDerWaalsContact O-CB 3.29Å; L146-L150 WeakPolarHBondContact O-CB 3.44Å; L146-L150 WeakPolarHBondContact O-CG 3.29Å; L146-L150 PolarHBondContact O-N 3.48Å; L146-F161 HydrophobicContact CB-CE2 4.29Å; L146-F161 HydrophobicContact CD2-CE2 4.15Å; L146-F161 HydrophobicContact CG-CE2 4.01Å; L146-F165 HydrophobicContact CD2-CB 3.97Å; L146-F165 HydrophobicContact CD2-CD1 3.44Å; L146-F165 VanDerWaalsContact CD2-CD1 3.44Å; L146-F165 HydrophobicContact CD2-CD2 4.43Å; L146-F165 HydrophobicContact CD2-CE1 4Å; L146-F165 HydrophobicContact CD2-CG 3.68Å; L146-F461 HydrophobicContact CB-CE1 4.47Å; L146-V462 HydrophobicContact CD1-CB 4.13Å; L146-V462 HydrophobicContact CD1-CG1 3.85Å; L146-V462 HydrophobicContact CD1-CG2 3.89Å; L146-E465 HydrophobicContact CD1-CB 4.09Å; L146-E465 HydrophobicContact CD1-CG 4.17Å; L146-E465 HydrophobicContact CD2-CB 4.24Å; L146-E465 HydrophobicContact CD2-CG 4.14Å
147Y86.2Confident83.5Confident60 Ų6064 Ų6424%0.23534%0.34CS..Hα-helixtrans-64.2-45.3176-176.5-94.1000111.3L137 L143 L144 K145 V151 F161 W162L137-Y147 HydrophobicContact CD1-CD1 4.29Å; L137-Y147 HydrophobicContact CD1-CD2 4.39Å; L137-Y147 HydrophobicContact CD1-CE1 4.49Å; L137-Y147 HydrophobicContact CD1-CG 4.24Å; L137-Y147 HydrophobicContact CD2-CD2 4.4Å; L137-Y147 HydrophobicContact CD2-CG 4.08Å; L143-Y147 WeakPolarHBondContact O-CB 3.35Å; L143-Y147 PolarHBondContact O-N 3.33Å; L144-Y147 WeakPolarHBondContact O-CB 3.46Å; L144-Y147 PolarHBondContact O-N 2.73Å; L144-Y147 VanDerWaalsContact O-N 3.13Å; K145-Y147 PolarHBondContact O-N 2.66Å; Y147-V151 HydrophobicContact CD2-CB 4.1Å; Y147-V151 HydrophobicContact CD2-CG2 3.66Å; Y147-V151 HydrophobicContact CE1-CB 4.41Å; Y147-V151 HydrophobicContact CE1-CG1 4.44Å; Y147-V151 HydrophobicContact CE2-CB 3.97Å; Y147-V151 HydrophobicContact CE2-CG1 3.95Å; Y147-V151 HydrophobicContact CE2-CG2 3.74Å; Y147-V151 HydrophobicContact CG-CB 4.4Å; Y147-V151 HydrophobicContact CG-CG2 4.29Å; Y147-V151 WeakPolarHBondContact O-CA 3.46Å; Y147-V151 VanDerWaalsContact O-CB 3.22Å; Y147-V151 WeakPolarHBondContact O-CB 3.32Å; Y147-V151 PolarHBondContact O-N 2.96Å; Y147-F161 AromaticContact CD2-CD1 3.59Å; Y147-F161 HydrophobicContact CD2-CD1 3.59Å; Y147-F161 HydrophobicContact CD2-CD2 4.39Å; Y147-F161 AromaticContact CD2-CE1 3.58Å; Y147-F161 HydrophobicContact CD2-CE1 3.58Å; Y147-F161 HydrophobicContact CD2-CE2 4.37Å; Y147-F161 HydrophobicContact CD2-CG 4.01Å; Y147-F161 AromaticContact CD2-CZ 3.98Å; Y147-F161 HydrophobicContact CD2-CZ 3.98Å; Y147-F161 HydrophobicContact CE2-CD1 4.21Å; Y147-F161 HydrophobicContact CG-CE1 4.31Å; Y147-F161 HydrophobicContact CG-CZ 4.34Å; Y147-W162 HydrophobicContact CE2-CZ2 4.17Å
148E85Confident83.3Confident102 Ų10264.8 Ų64.848%0.47735%0.349SS..Iπ-helixtrans-62.3-46.9176.7-72.2-179.7173.300111.3L144 K145 L150 T152L144-E148 WeakPolarHBondContact O-CG 3.45Å; L144-E148 PolarHBondContact O-N 3.04Å; K145-E148 PolarHBondContact O-N 3.39Å; E148-L150 PolarHBondContact O-N 2.97Å; E148-T152 WeakPolarHBondContact O-CB 3.25Å; E148-T152 PolarHBondContact O-N 3.32Å; E148-T152 PolarHBondContact O-OG1 3.5Å
149D81.7Confident83.1Confident43 Ų4364 Ų6423%0.2335%0.349CS..Iπ-helixtrans-72.9-26.4-176.8-81.1-19000114.1K145 T153 S458 V462K145-D149 WeakPolarHBondContact O-CB 3.46Å; K145-D149 PolarHBondContact O-N 3.18Å; D149-T153 WeakPolarHBondContact O-CB 3.34Å; D149-T153 WeakPolarHBondContact O-CG2 3.47Å; D149-T153 PolarHBondContact O-OG1 3.35Å; D149-S458 PolarHBondContact OD2-OG 3.06Å; D149-V462 HydrophobicContact CB-CG2 3.9Å; D149-V462 WeakPolarHBondContact OD2-CG2 3.47Å
150L83.4Confident82.8Confident0 Ų063.8 Ų63.80%035%0.345CS..Iπ-helixtrans-103.1-40.7-177.6-66.1177.9000114.1L146 E148 T153 I155 I156 F165 V462 L466 Y495L146-L150 HydrophobicContact CD1-CD1 3.58Å; L146-L150 HydrophobicContact CD1-CG 4.13Å; L146-L150 HydrophobicContact CD2-CD1 4.45Å; L146-L150 HydrophobicContact CG-CD1 3.73Å; L146-L150 HydrophobicContact CG-CG 4.44Å; L146-L150 VanDerWaalsContact O-CB 3.29Å; L146-L150 WeakPolarHBondContact O-CB 3.44Å; L146-L150 WeakPolarHBondContact O-CG 3.29Å; L146-L150 PolarHBondContact O-N 3.48Å; E148-L150 PolarHBondContact O-N 2.97Å; L150-T153 PolarHBondContact O-OG1 2.93Å; L150-I155 HydrophobicContact CD2-CD1 4.43Å; L150-I155 HydrophobicContact CD2-CG2 4.41Å; L150-I155 PolarHBondContact O-N 3.36Å; L150-I155 VanDerWaalsContact O-N 3.07Å; L150-I156 HydrophobicContact CB-CD1 4.26Å; L150-I156 HydrophobicContact CB-CG1 4.46Å; L150-I156 HydrophobicContact CD1-CD1 3.84Å; L150-I156 HydrophobicContact CD2-CD1 4.32Å; L150-I156 HydrophobicContact CG-CD1 4.39Å; L150-I156 PolarHBondContact O-N 3.5Å; L150-I156 VanDerWaalsContact O-N 3.13Å; L150-F165 HydrophobicContact CD1-CE2 3.91Å; L150-F165 HydrophobicContact CD1-CZ 3.95Å; L150-V462 HydrophobicContact CD1-CG1 4.37Å; L150-V462 HydrophobicContact CD2-CG1 3.63Å; L150-V462 HydrophobicContact CG-CG1 4Å; L150-L466 HydrophobicContact CD1-CD2 4.42Å; L150-L466 HydrophobicContact CD2-CD1 4.21Å; L150-L466 HydrophobicContact CD2-CD2 4.49Å; L150-Y495 HydrophobicContact CD2-CD2 4.02Å; L150-Y495 HydrophobicContact CD2-CE2 4.38Å
151V86Confident82.9Confident24 Ų2460.3 Ų60.315%0.14533%0.329CS..Iπ-helixtrans-90.4-42.1-173.8-177.40000110.9Y147 T153 G154 A158 F161Y147-V151 HydrophobicContact CD2-CB 4.1Å; Y147-V151 HydrophobicContact CD2-CG2 3.66Å; Y147-V151 HydrophobicContact CE1-CB 4.41Å; Y147-V151 HydrophobicContact CE1-CG1 4.44Å; Y147-V151 HydrophobicContact CE2-CB 3.97Å; Y147-V151 HydrophobicContact CE2-CG1 3.95Å; Y147-V151 HydrophobicContact CE2-CG2 3.74Å; Y147-V151 HydrophobicContact CG-CB 4.4Å; Y147-V151 HydrophobicContact CG-CG2 4.29Å; Y147-V151 WeakPolarHBondContact O-CA 3.46Å; Y147-V151 VanDerWaalsContact O-CB 3.22Å; Y147-V151 WeakPolarHBondContact O-CB 3.32Å; Y147-V151 PolarHBondContact O-N 2.96Å; V151-T153 VanDerWaalsContact C-N 3.31Å; V151-T153 PolarHBondContact O-N 2.78Å; V151-G154 PolarHBondContact O-N 3.04Å; V151-G154 VanDerWaalsContact O-N 3.15Å; V151-A158 HydrophobicContact CG1-CB 3.83Å; V151-F161 HydrophobicContact CG2-CB 3.75Å; V151-F161 HydrophobicContact CG2-CD2 3.92Å; V151-F161 HydrophobicContact CG2-CG 3.88Å
152T82.7Confident82.9Confident110 Ų11057.1 Ų57.168%0.67531%0.306SS*.Iπ-helixtrans-68-34.2178-48.20000111.6E148 G154E148-T152 WeakPolarHBondContact O-CB 3.25Å; E148-T152 PolarHBondContact O-N 3.32Å; E148-T152 PolarHBondContact O-OG1 3.5Å; T152-G154 PolarHBondContact O-N 3.16Å
153T79.8Confident82.7Confident72 Ų7256 Ų5644%0.44231%0.308SS..THydrogen-bonded Turntrans-75.1-11.8175.159.60000113.3D149 L150 V151 I155D149-T153 WeakPolarHBondContact O-CB 3.34Å; D149-T153 WeakPolarHBondContact O-CG2 3.47Å; D149-T153 PolarHBondContact O-OG1 3.35Å; L150-T153 PolarHBondContact O-OG1 2.93Å; V151-T153 VanDerWaalsContact C-N 3.31Å; V151-T153 PolarHBondContact O-N 2.78Å; T153-I155 VanDerWaalsContact C-N 3.34Å; T153-I155 WeakPolarHBondContact OG1-CD1 3.49Å; T153-I155 WeakPolarHBondContact OG1-CG1 3.34Å
154G81Confident82.1Confident59 Ų5957.4 Ų57.461%0.60832%0.315SS*.THydrogen-bonded Turntrans76.814.7178.300000115V151 T152 I156V151-G154 PolarHBondContact O-N 3.04Å; V151-G154 VanDerWaalsContact O-N 3.15Å; T152-G154 PolarHBondContact O-N 3.16Å; G154-I156 VanDerWaalsContact C-N 3.34Å
155I79.7Confident81.5Confident7 Ų755.1 Ų55.14%0.03630%0.302CS..SBendtrans-68.7-38.5177.2-60.8169.1000110L150 T153 T491 K494 Y495 C498L150-I155 HydrophobicContact CD2-CD1 4.43Å; L150-I155 HydrophobicContact CD2-CG2 4.41Å; L150-I155 PolarHBondContact O-N 3.36Å; L150-I155 VanDerWaalsContact O-N 3.07Å; T153-I155 VanDerWaalsContact C-N 3.34Å; T153-I155 WeakPolarHBondContact OG1-CD1 3.49Å; T153-I155 WeakPolarHBondContact OG1-CG1 3.34Å; I155-T491 HydrophobicContact CG2-CG2 4.1Å; I155-K494 HydrophobicContact CG2-CB 3.93Å; I155-Y495 HydrophobicContact CD1-CD2 3.75Å; I155-Y495 HydrophobicContact CD1-CE2 4.47Å; I155-C498 HydrophobicContact CD1-CB 4.17Å; I155-C498 HydrophobicContact CG1-CB 4.12Å
156I81.7Confident81.2Confident12 Ų1249.3 Ų49.36%0.06228%0.277CS..SBendtrans-130146.7178-51.7179.1000109.5L150 G154 D160 F165 L466 T491L150-I156 HydrophobicContact CB-CD1 4.26Å; L150-I156 HydrophobicContact CB-CG1 4.46Å; L150-I156 HydrophobicContact CD1-CD1 3.84Å; L150-I156 HydrophobicContact CD2-CD1 4.32Å; L150-I156 HydrophobicContact CG-CD1 4.39Å; L150-I156 PolarHBondContact O-N 3.5Å; L150-I156 VanDerWaalsContact O-N 3.13Å; G154-I156 VanDerWaalsContact C-N 3.34Å; I156-D160 HydrophobicContact CG2-CB 3.71Å; I156-F165 HydrophobicContact CD1-CE2 3.79Å; I156-F165 HydrophobicContact CD1-CZ 4.33Å; I156-L466 HydrophobicContact CD1-CD2 4.3Å; I156-T491 HydrophobicContact CD1-CG2 3.4Å; I156-T491 HydrophobicContact CG1-CG2 3.49Å; I156-T491 VanDerWaalsContact CG1-CG2 3.49Å
157K82.9Confident80.8Confident152 Ų15250.6 Ų50.666%0.66129%0.288SS*.  trans-73.6147.5171.5-65.8178.1-179.8173.80110.6D159 D160 F161K157-D159 PolarHBondContact O-N 3.13Å; K157-D159 VanDerWaalsContact O-N 3.14Å; K157-D160 PolarHBondContact O-N 3.01Å; K157-F161 PolarHBondContact O-N 3.3Å; K157-F161 VanDerWaalsContact O-N 3.11Å
158A81.2Confident80.2Confident34 Ų3452.5 Ų52.528%0.28130%0.303SS..Hα-helixtrans-53.8-37.717600000112.3V151 D160 F161 W162V151-A158 HydrophobicContact CG1-CB 3.83Å; A158-D160 VanDerWaalsContact C-N 3.31Å; A158-D160 PolarHBondContact O-N 3.18Å; A158-F161 PolarHBondContact O-N 3.35Å; A158-W162 PolarHBondContact O-NE1 2.9Å
159D79.5Confident79.9Confident122 Ų12249.1 Ų49.165%0.65229%0.289SS*.Hα-helixtrans-66.4-29.8179.9-66.7-31.5000113.6K157 P163K157-D159 PolarHBondContact O-N 3.13Å; K157-D159 VanDerWaalsContact O-N 3.14Å; D159-P163 WeakPolarHBondContact O-CD 3.42Å; D159-P163 WeakPolarHBondContact O-CG 3.43Å
160D80.9Confident79.5Confident74 Ų7449.1 Ų49.140%0.39629%0.288SS..Hα-helixtrans-85.4-27.5178.4-60.5-36.9000111.4I156 K157 A158 P163 M164I156-D160 HydrophobicContact CG2-CB 3.71Å; K157-D160 PolarHBondContact O-N 3.01Å; A158-D160 VanDerWaalsContact C-N 3.31Å; A158-D160 PolarHBondContact O-N 3.18Å; D160-P163 WeakPolarHBondContact O-CD 3.22Å; D160-P163 WeakPolarHBondContact O-CG 3.35Å; D160-M164 WeakPolarHBondContact O-CB 3.37Å; D160-M164 WeakPolarHBondContact O-CG 3.18Å; D160-M164 PolarHBondContact O-N 2.85Å
161F85.1Confident79.1Confident0 Ų053.5 Ų53.50%031%0.311CS..Hα-helixtrans-61.4-48.4179.2174-90.5000113L143 L146 Y147 V151 K157 A158 M164 F165L143-F161 HydrophobicContact CD1-CE1 3.98Å; L143-F161 HydrophobicContact CD1-CZ 3.53Å; L143-F161 HydrophobicContact CG-CE1 4.25Å; L143-F161 HydrophobicContact CG-CZ 3.98Å; L146-F161 HydrophobicContact CB-CE2 4.29Å; L146-F161 HydrophobicContact CD2-CE2 4.15Å; L146-F161 HydrophobicContact CG-CE2 4.01Å; Y147-F161 AromaticContact CD2-CD1 3.59Å; Y147-F161 HydrophobicContact CD2-CD1 3.59Å; Y147-F161 HydrophobicContact CD2-CD2 4.39Å; Y147-F161 AromaticContact CD2-CE1 3.58Å; Y147-F161 HydrophobicContact CD2-CE1 3.58Å; Y147-F161 HydrophobicContact CD2-CE2 4.37Å; Y147-F161 HydrophobicContact CD2-CG 4.01Å; Y147-F161 AromaticContact CD2-CZ 3.98Å; Y147-F161 HydrophobicContact CD2-CZ 3.98Å; Y147-F161 HydrophobicContact CE2-CD1 4.21Å; Y147-F161 HydrophobicContact CG-CE1 4.31Å; Y147-F161 HydrophobicContact CG-CZ 4.34Å; V151-F161 HydrophobicContact CG2-CB 3.75Å; V151-F161 HydrophobicContact CG2-CD2 3.92Å; V151-F161 HydrophobicContact CG2-CG 3.88Å; K157-F161 PolarHBondContact O-N 3.3Å; K157-F161 VanDerWaalsContact O-N 3.11Å; A158-F161 PolarHBondContact O-N 3.35Å; F161-M164 PolarHBondContact O-N 3.43Å; F161-F165 HydrophobicContact CD2-CB 4.39Å; F161-F165 AromaticContact CD2-CD2 3.66Å; F161-F165 HydrophobicContact CD2-CD2 3.66Å; F161-F165 HydrophobicContact CD2-CE2 4.39Å; F161-F165 HydrophobicContact CD2-CG 4.34Å; F161-F165 HydrophobicContact CE2-CB 4.09Å; F161-F165 HydrophobicContact CE2-CD2 4Å; F161-F165 HydrophobicContact CE2-CG 4.25Å; F161-F165 HydrophobicContact CG-CD2 4.33Å; F161-F165 HydrophobicContact CZ-CB 4.27Å; F161-F165 PolarHBondContact O-N 2.61Å
162W83.3Confident78.4Confident17 Ų1756.7 Ų56.76%0.06433%0.327CS..Hα-helixtrans-59.1-52-176-63105.4000114.2K133 I136 L137 Y147 A158 M164 A166 A167 M170K133-W162 HydrophobicContact CB-CE3 4.46Å; K133-W162 HydrophobicContact CB-CH2 3.33Å; K133-W162 HydrophobicContact CB-CZ2 3.46Å; K133-W162 VanDerWaalsContact CB-CZ2 3.46Å; K133-W162 HydrophobicContact CB-CZ3 3.89Å; K133-W162 HydrophobicContact CD-CD2 3.79Å; K133-W162 VanDerWaalsContact CD-CE2 3.47Å; K133-W162 HydrophobicContact CD-CE3 4.36Å; K133-W162 HydrophobicContact CD-CG 4.14Å; K133-W162 HydrophobicContact CD-CH2 4.31Å; K133-W162 HydrophobicContact CD-CZ2 3.79Å; K133-W162 HydrophobicContact CG-CD2 3.76Å; K133-W162 HydrophobicContact CG-CE3 3.81Å; K133-W162 HydrophobicContact CG-CH2 3.6Å; K133-W162 HydrophobicContact CG-CZ2 3.6Å; K133-W162 HydrophobicContact CG-CZ3 3.72Å; K133-W162 VanDerWaalsContact NZ-CD1 3.26Å; K133-W162 VanDerWaalsContact O-CH2 3.32Å; K133-W162 WeakPolarHBondContact O-CH2 3.39Å; I136-W162 HydrophobicContact CG2-CZ3 4.32Å; L137-W162 HydrophobicContact CD1-CH2 3.5Å; L137-W162 HydrophobicContact CD1-CZ2 3.86Å; L137-W162 HydrophobicContact CD2-CH2 4.1Å; L137-W162 HydrophobicContact CG-CH2 3.58Å; L137-W162 HydrophobicContact CG-CZ2 4.41Å; L137-W162 HydrophobicContact CG-CZ3 4.31Å; Y147-W162 HydrophobicContact CE2-CZ2 4.17Å; A158-W162 PolarHBondContact O-NE1 2.9Å; W162-M164 VanDerWaalsContact C-N 3.26Å; W162-M164 PolarHBondContact O-N 3.38Å; W162-A166 HydrophobicContact CE3-CB 3.54Å; W162-A166 HydrophobicContact CZ3-CB 4.09Å; W162-A166 CarbonylContact O-C 3.58Å; W162-A166 WeakPolarHBondContact O-CA 3.25Å; W162-A166 WeakPolarHBondContact O-CB 3.36Å; W162-A166 PolarHBondContact O-N 2.83Å; W162-A167 PolarHBondContact O-N 3.32Å; W162-M170 HydrophobicContact CB-CE 4.22Å; W162-M170 HydrophobicContact CD2-CE 3.85Å; W162-M170 HydrophobicContact CE3-CE 3.25Å; W162-M170 HydrophobicContact CE3-SD 4.44Å; W162-M170 HydrophobicContact CG-CE 4.25Å; W162-M170 HydrophobicContact CZ3-CE 3.88Å
163P78.2Confident77.8Confident85 Ų8552.9 Ų52.955%0.55230%0.302SS*.Hα-helixtrans-69.1-24.4178.928-35.9000112.8D159 D160 A167D159-P163 WeakPolarHBondContact O-CD 3.42Å; D159-P163 WeakPolarHBondContact O-CG 3.43Å; D160-P163 WeakPolarHBondContact O-CD 3.22Å; D160-P163 WeakPolarHBondContact O-CG 3.35Å; P163-A167 WeakPolarHBondContact O-CB 3.32Å
164M72.2Confident77.2Confident44 Ų4453.5 Ų53.522%0.21731%0.306CS..Hα-helixtrans-85-47.8-177.1-68.4-176.18400112.5D160 F161 W162 K469D160-M164 WeakPolarHBondContact O-CB 3.37Å; D160-M164 WeakPolarHBondContact O-CG 3.18Å; D160-M164 PolarHBondContact O-N 2.85Å; F161-M164 PolarHBondContact O-N 3.43Å; W162-M164 VanDerWaalsContact C-N 3.26Å; W162-M164 PolarHBondContact O-N 3.38Å; M164-K469 WeakPolarHBondContact O-CD 3.35Å; M164-K469 WeakPolarHBondContact O-CE 3.46Å; M164-K469 PolarHBondContact O-NZ 3.42Å
165F73.7Confident76.4Confident15 Ų1557.5 Ų57.57%0.06631%0.306CS..Hα-helixtrans-106.1-35.3-172-62.5-77.3000113.4L143 L146 L150 I156 F161 E465 L466 K469L143-F165 HydrophobicContact CD1-CB 4.18Å; L146-F165 HydrophobicContact CD2-CB 3.97Å; L146-F165 HydrophobicContact CD2-CD1 3.44Å; L146-F165 VanDerWaalsContact CD2-CD1 3.44Å; L146-F165 HydrophobicContact CD2-CD2 4.43Å; L146-F165 HydrophobicContact CD2-CE1 4Å; L146-F165 HydrophobicContact CD2-CG 3.68Å; L150-F165 HydrophobicContact CD1-CE2 3.91Å; L150-F165 HydrophobicContact CD1-CZ 3.95Å; I156-F165 HydrophobicContact CD1-CE2 3.79Å; I156-F165 HydrophobicContact CD1-CZ 4.33Å; F161-F165 HydrophobicContact CD2-CB 4.39Å; F161-F165 AromaticContact CD2-CD2 3.66Å; F161-F165 HydrophobicContact CD2-CD2 3.66Å; F161-F165 HydrophobicContact CD2-CE2 4.39Å; F161-F165 HydrophobicContact CD2-CG 4.34Å; F161-F165 HydrophobicContact CE2-CB 4.09Å; F161-F165 HydrophobicContact CE2-CD2 4Å; F161-F165 HydrophobicContact CE2-CG 4.25Å; F161-F165 HydrophobicContact CG-CD2 4.33Å; F161-F165 HydrophobicContact CZ-CB 4.27Å; F161-F165 PolarHBondContact O-N 2.61Å; F165-E465 HydrophobicContact CE1-CB 4.15Å; F165-L466 HydrophobicContact CZ-CD2 3.85Å; F165-K469 HydrophobicContact CD1-CG 4.18Å; F165-K469 HydrophobicContact CE1-CG 3.76Å; F165-K469 HydrophobicContact CZ-CG 4.39Å
166A77.2Confident75.4Confident0 Ų065.2 Ų65.20%034%0.342CS..SBendtrans-95.5-0.3-174.500000114.2L143 W162 D168 V169 M170L143-A166 HydrophobicContact CD1-CB 4.44Å; L143-A166 HydrophobicContact CD2-CB 4.01Å; W162-A166 HydrophobicContact CE3-CB 3.54Å; W162-A166 HydrophobicContact CZ3-CB 4.09Å; W162-A166 CarbonylContact O-C 3.58Å; W162-A166 WeakPolarHBondContact O-CA 3.25Å; W162-A166 WeakPolarHBondContact O-CB 3.36Å; W162-A166 PolarHBondContact O-N 2.83Å; A166-D168 PolarHBondContact O-N 2.68Å; A166-V169 PolarHBondContact O-N 2.72Å; A166-M170 HydrophobicContact CB-CG 4.49Å; A166-M170 HydrophobicContact CB-SD 4.48Å; A166-M170 WeakPolarHBondContact O-CB 2.95Å; A166-M170 WeakPolarHBondContact O-CG 3.16Å; A166-M170 PolarHBondContact O-N 2.68Å
167A75.6Confident74.3Confident31 Ų3170.9 Ų70.926%0.25637%0.369SS..Hα-helixtrans-58.2-43.6-17600000113.2W162 P163 N171W162-A167 PolarHBondContact O-N 3.32Å; P163-A167 WeakPolarHBondContact O-CB 3.32Å; A167-N171 VanDerWaalsContact O-CB 3.32Å; A167-N171 WeakPolarHBondContact O-CB 3.37Å; A167-N171 PolarHBondContact O-N 2.9Å; A167-N171 PolarHBondContact O-ND2 3.06Å; A167-N171 VanDerWaalsContact O-ND2 3.17Å
168D73.1Confident72.9Confident100 Ų10070.9 Ų70.954%0.53537%0.371SS..Hα-helixtrans-68.2-38.3179.7-62.9-37.1000111.6A166 N171 N172A166-D168 PolarHBondContact O-N 2.68Å; D168-N171 PolarHBondContact O-N 3.28Å; D168-N172 WeakPolarHBondContact O-CB 3.44Å; D168-N172 VanDerWaalsContact O-CG 3.29Å; D168-N172 PolarHBondContact O-N 3.5Å
169V77.9Confident71.9Confident30 Ų3076.7 Ų76.718%0.18239%0.39CS..Hα-helixtrans-68.4-46.9177.9-179.50000110.9I136 H140 A166 N171 N172 E173I136-V169 HydrophobicContact CG2-CG1 3.7Å; H140-V169 WeakPolarHBondContact CD2-CG1 3.46Å; H140-V169 WeakPolarHBondContact NE2-CG1 3.41Å; A166-V169 PolarHBondContact O-N 2.72Å; V169-N171 VanDerWaalsContact C-N 3.29Å; V169-N171 PolarHBondContact O-N 3.04Å; V169-N172 PolarHBondContact O-N 3.31Å; V169-N172 VanDerWaalsContact O-N 3.15Å; V169-E173 PolarHBondContact O-N 3.46Å
170M74.6Confident71Confident43 Ų4377.4 Ų77.421%0.21239%0.393CS..Hα-helixtrans-58.9-41174.8-76.9178.5163.200111.7K133 I136 W162 A166 T174K133-M170 HydrophobicContact CD-CE 4.35Å; K133-M170 HydrophobicContact CG-CE 3.58Å; I136-M170 HydrophobicContact CD1-CE 3.99Å; I136-M170 HydrophobicContact CD1-CG 3.62Å; W162-M170 HydrophobicContact CB-CE 4.22Å; W162-M170 HydrophobicContact CD2-CE 3.85Å; W162-M170 HydrophobicContact CE3-CE 3.25Å; W162-M170 HydrophobicContact CE3-SD 4.44Å; W162-M170 HydrophobicContact CG-CE 4.25Å; W162-M170 HydrophobicContact CZ3-CE 3.88Å; A166-M170 HydrophobicContact CB-CG 4.49Å; A166-M170 HydrophobicContact CB-SD 4.48Å; A166-M170 WeakPolarHBondContact O-CB 2.95Å; A166-M170 WeakPolarHBondContact O-CG 3.16Å; A166-M170 PolarHBondContact O-N 2.68Å; M170-T174 WeakPolarHBondContact O-CB 3.41Å; M170-T174 PolarHBondContact O-N 2.92Å; M170-T174 PolarHBondContact O-OG1 3.33Å
171N74Confident70.2Confident93 Ų9375.9 Ų75.950%0.49740%0.395SS..Hα-helixtrans-65.9-38.9176.3-76.5-25.3000112A167 D168 V169 T174 K175A167-N171 VanDerWaalsContact O-CB 3.32Å; A167-N171 WeakPolarHBondContact O-CB 3.37Å; A167-N171 PolarHBondContact O-N 2.9Å; A167-N171 PolarHBondContact O-ND2 3.06Å; A167-N171 VanDerWaalsContact O-ND2 3.17Å; D168-N171 PolarHBondContact O-N 3.28Å; V169-N171 VanDerWaalsContact C-N 3.29Å; V169-N171 PolarHBondContact O-N 3.04Å; N171-T174 PolarHBondContact O-N 3.36Å; N171-K175 WeakPolarHBondContact O-CG 3.02Å; N171-K175 PolarHBondContact O-N 3.31Å
172N72.8Confident69.4Low90 Ų9076 Ų7648%0.48140%0.396SS..Hα-helixtrans-70.1-42.8177.7-75-13.8000112D168 V169 T174 K175 E176D168-N172 WeakPolarHBondContact O-CB 3.44Å; D168-N172 VanDerWaalsContact O-CG 3.29Å; D168-N172 PolarHBondContact O-N 3.5Å; V169-N172 PolarHBondContact O-N 3.31Å; V169-N172 VanDerWaalsContact O-N 3.15Å; N172-T174 VanDerWaalsContact C-N 3.27Å; N172-T174 PolarHBondContact O-N 2.92Å; N172-K175 CarbonylContact O-C 3.49Å; N172-K175 WeakPolarHBondContact O-CA 3.46Å; N172-K175 WeakPolarHBondContact O-CB 3.38Å; N172-K175 PolarHBondContact O-N 2.86Å; N172-E176 PolarHBondContact O-N 3.31Å
173E70.1Confident68.9Low31 Ų3179.1 Ų79.115%0.14542%0.42CS..Hα-helixtrans-61.9-37.5173.5-73.7-158.3162.600112.1I136 V169 K175 E176 Q177I136-E173 WeakPolarHBondContact CD1-OE2 3.44Å; I136-E173 HydrophobicContact CG1-CG 4.37Å; I136-E173 WeakPolarHBondContact CG1-OE1 3.49Å; I136-E173 WeakPolarHBondContact CG1-OE2 3.32Å; V169-E173 PolarHBondContact O-N 3.46Å; E173-K175 PolarHBondContact O-N 3.41Å; E173-E176 PolarHBondContact O-N 2.92Å; E173-Q177 PolarHBondContact O-N 3.39Å
174T66.4Low68.3Low84 Ų8477.5 Ų77.552%0.51542%0.419SS..Hα-helixtrans-64.8-31.7175-52.60000111.4M170 N171 N172M170-T174 WeakPolarHBondContact O-CB 3.41Å; M170-T174 PolarHBondContact O-N 2.92Å; M170-T174 PolarHBondContact O-OG1 3.33Å; N171-T174 PolarHBondContact O-N 3.36Å; N172-T174 VanDerWaalsContact C-N 3.27Å; N172-T174 PolarHBondContact O-N 2.92Å
175K63.6Low68.3Low143 Ų14377.4 Ų77.462%0.62243%0.429SS*.Hα-helixtrans-75.2-36.2173.6-72.6172-176.4173.70112.6N171 N172 E173 Q177 Q178N171-K175 WeakPolarHBondContact O-CG 3.02Å; N171-K175 PolarHBondContact O-N 3.31Å; N172-K175 CarbonylContact O-C 3.49Å; N172-K175 WeakPolarHBondContact O-CA 3.46Å; N172-K175 WeakPolarHBondContact O-CB 3.38Å; N172-K175 PolarHBondContact O-N 2.86Å; E173-K175 PolarHBondContact O-N 3.41Å; K175-Q177 PolarHBondContact O-N 3.47Å; K175-Q178 WeakPolarHBondContact O-CB 3.4Å; K175-Q178 PolarHBondContact O-N 2.97Å
176E60.3Low68.2Low169 Ų16977.4 Ų77.479%0.7943%0.429SS*.Hα-helixtrans-65.8-21.6176.1-72.4-160.416600112.7N172 E173 Q178N172-E176 PolarHBondContact O-N 3.31Å; E173-E176 PolarHBondContact O-N 2.92Å; E176-Q178 PolarHBondContact O-N 3.4Å
177Q57.4Low67.9Low132 Ų13279.2 Ų79.262%0.61744%0.438SS*.THydrogen-bonded Turntrans-69.816.7167.2-65.2-177.911.300113.8E173 K175 K179E173-Q177 PolarHBondContact O-N 3.39Å; K175-Q177 PolarHBondContact O-N 3.47Å; Q177-K179 PolarHBondContact O-N 3.14Å
178Q54.8Low67.4Low152 Ų15280.9 Ų80.971%0.7146%0.458SS*.  trans-52.9109.7171.5-172.3171.611.500108.9K175 E176 L180K175-Q178 WeakPolarHBondContact O-CB 3.4Å; K175-Q178 PolarHBondContact O-N 2.97Å; E176-Q178 PolarHBondContact O-N 3.4Å; Q178-L180 PolarHBondContact O-N 3.33Å
179K59.1Low66.8Low156 Ų15682.4 Ų82.468%0.67847%0.467SS*.  trans-58133.6-180-67.8-176.3178.9-178.10109Q177 G181 T333Q177-K179 PolarHBondContact O-N 3.14Å; K179-G181 PolarHBondContact O-N 2.87Å; K179-T333 HydrophobicContact CB-CG2 3.85Å
180L60.4Low66.1Low137 Ų13781.3 Ų81.372%0.71746%0.46SS*.  trans-45.4125.4175.5-77.1131.5000109.8Q178Q178-L180 PolarHBondContact O-N 3.33Å
181G64.9Low65.1Low42 Ų4283.5 Ų83.543%0.43348%0.476SS..  trans-66.4151.9173.700000110.7K179 S183K179-G181 PolarHBondContact O-N 2.87Å; G181-S183 PolarHBondContact O-N 3.38Å
182V68.1Low64.3Low3 Ų385.9 Ų85.92%0.01848%0.478CS..  trans-82.8113.8177.31800000108.7F186 L213 V326 A329 H330V182-F186 HydrophobicContact CG1-CD1 3.45Å; V182-F186 VanDerWaalsContact CG1-CD1 3.45Å; V182-F186 HydrophobicContact CG1-CE1 3.74Å; V182-F186 HydrophobicContact CG1-CG 4.1Å; V182-L213 HydrophobicContact CG2-CB 4.33Å; V182-L213 HydrophobicContact CG2-CD2 3.75Å; V182-L213 HydrophobicContact CG2-CG 4.38Å; V182-V326 WeakPolarHBondContact O-CG1 3.37Å; V182-A329 HydrophobicContact CB-CB 4.32Å; V182-A329 HydrophobicContact CG2-CB 3.99Å; V182-H330 PolarHBondContact O-NE2 3.11Å
183S72.1Confident63.2Low82 Ų8284 Ų8457%0.57347%0.471SS*.  trans-67.7134.2172.1177.70000109.9G181 G185 F186G181-S183 PolarHBondContact O-N 3.38Å; S183-G185 PolarHBondContact O-N 3.43Å; S183-F186 WeakPolarHBondContact O-CB 3.42Å; S183-F186 WeakPolarHBondContact O-CD1 3.34Å; S183-F186 PolarHBondContact O-N 2.91Å
184G66.2Low62.2Low51 Ų5188.2 Ų88.253%0.52650%0.495SS..THydrogen-bonded Turntrans-58.6-17.6178.900000114.6
185G71.4Confident61.5Low42 Ų4290.3 Ų90.343%0.43351%0.507SS..THydrogen-bonded Turntrans-99.713.6175.400000115.1S183 L187 G188S183-G185 PolarHBondContact O-N 3.43Å; G185-L187 PolarHBondContact O-N 2.78Å; G185-G188 WeakPolarHBondContact O-CA 3.44Å; G185-G188 PolarHBondContact O-N 3.32Å
186F72.2Confident60.7Low14 Ų1488.5 Ų88.56%0.06151%0.512CS..THydrogen-bonded Turntrans-58.6-23.6-170.676.4-88.2000114.6V182 S183 I211 T214 Y215V182-F186 HydrophobicContact CG1-CD1 3.45Å; V182-F186 VanDerWaalsContact CG1-CD1 3.45Å; V182-F186 HydrophobicContact CG1-CE1 3.74Å; V182-F186 HydrophobicContact CG1-CG 4.1Å; S183-F186 WeakPolarHBondContact O-CB 3.42Å; S183-F186 WeakPolarHBondContact O-CD1 3.34Å; S183-F186 PolarHBondContact O-N 2.91Å; F186-I211 HydrophobicContact CE2-CB 4.38Å; F186-I211 HydrophobicContact CE2-CG1 3.61Å; F186-I211 HydrophobicContact CZ-CG1 4.34Å; F186-T214 HydrophobicContact CE1-CG2 4.22Å; F186-T214 VanDerWaalsContact CE1-OG1 3.3Å; F186-T214 WeakPolarHBondContact CE1-OG1 3.5Å; F186-T214 HydrophobicContact CZ-CG2 4.45Å; F186-Y215 HydrophobicContact CZ-CE2 4.5Å
187L70.4Confident60.6Low38 Ų3888.2 Ų88.220%0.19952%0.516CS..THydrogen-bonded Turntrans-81.6-17.6174.4-68.6173.4000113.7G185 V190 I211 Y215 F245G185-L187 PolarHBondContact O-N 2.78Å; L187-V190 HydrophobicContact CD2-CG2 4.39Å; L187-I211 HydrophobicContact CD2-CD1 4.28Å; L187-I211 HydrophobicContact CD2-CG1 4.06Å; L187-Y215 HydrophobicContact CD1-CE2 4.18Å; L187-F245 HydrophobicContact CB-CE2 4.39Å; L187-F245 HydrophobicContact CD1-CD2 4.4Å; L187-F245 HydrophobicContact CD1-CE2 3.93Å; L187-F245 HydrophobicContact CD2-CE2 4.06Å; L187-F245 HydrophobicContact CG-CE2 4.35Å
188G65Low60.5Low66 Ų6687.9 Ų87.968%0.6851%0.514SS*.THydrogen-bonded Turntrans-70.6-33.1177.500000112.8G185 V190G185-G188 WeakPolarHBondContact O-CA 3.44Å; G185-G188 PolarHBondContact O-N 3.32Å; G188-V190 VanDerWaalsContact C-N 3.28Å; G188-V190 PolarHBondContact O-N 3.21Å
189D60.6Low60.9Low132 Ų13284.2 Ų84.271%0.70650%0.502SS*.THydrogen-bonded Turntrans-83.30.3179.4-74.8-19000113.8V191D189-V191 PolarHBondContact O-N 2.91Å
190V64.1Low61.1Low8 Ų882.9 Ų82.95%0.04850%0.496CS..SBendtrans-68.789.9170.8-172.60000107.4L187 G188 R192 F201 I207 F240L187-V190 HydrophobicContact CD2-CG2 4.39Å; G188-V190 VanDerWaalsContact C-N 3.28Å; G188-V190 PolarHBondContact O-N 3.21Å; V190-R192 PolarHBondContact O-N 3.22Å; V190-F201 HydrophobicContact CG1-CB 4.02Å; V190-F201 HydrophobicContact CG1-CD1 3.73Å; V190-F201 HydrophobicContact CG1-CG 4.37Å; V190-I207 HydrophobicContact CG2-CD1 4.33Å; V190-I207 HydrophobicContact CG2-CG2 4Å; V190-F240 HydrophobicContact CG1-CE1 4.47Å; V190-F240 HydrophobicContact CG1-CZ 4.22Å
191V54Low61.5Low89 Ų8979.1 Ų79.154%0.53947%0.474SS..  trans-52.2109-174.4179.90000109.2D189 S193D189-V191 PolarHBondContact O-N 2.91Å; V191-S193 PolarHBondContact O-N 3.47Å
192R57Low61.8Low143 Ų14380 Ų8054%0.5447%0.474SS..EExtended strand (participates in β ladder)trans-84.7102.2163.7-63.6-173.9-179.6118.5-6.3106.9V190 V199 F201V190-R192 PolarHBondContact O-N 3.22Å; R192-V199 HydrophobicContact CB-CG1 4.2Å; R192-V199 HydrophobicContact CG-CG1 3.9Å; R192-F201 HydrophobicContact CG-CE1 4.3Å
193S49.1Very low62.2Low49 Ų4982.4 Ų82.434%0.34349%0.486SS..EExtended strand (participates in β ladder)trans-84.9113167.753.70000108.6V191 E198V191-S193 PolarHBondContact O-N 3.47Å; S193-E198 VanDerWaalsContact O-O 3.08Å
194D48.6Very low62.6Low120 Ų12081.8 Ų81.864%0.64248%0.479SS*.  trans-103.879.9175.6-162.96.5000108.4
195V52.2Low63.3Low128 Ų12883.5 Ų83.578%0.77648%0.483SS*.SBendtrans-100.3-19.6177.8-176.50000111.2
196C46.8Very low63.8Low106 Ų10687.3 Ų87.372%0.71649%0.489SS*.SBendtrans-167.565.9-178.3-99.10000112.2E198C196-E198 PolarHBondContact O-N 3.13Å
197N57.6Low64.2Low163 Ų16387.7 Ų87.787%0.87249%0.492SS*.SBendtrans532.9177.7-861.3000116.6
198E55.1Low64.9Low125 Ų12587.2 Ų87.258%0.58449%0.489SS*.  trans-103.6107.4175.8-79.8-171.2167.500108.1S193 C196 K200S193-E198 VanDerWaalsContact O-O 3.08Å; C196-E198 PolarHBondContact O-N 3.13Å; E198-K200 PolarHBondContact O-N 3Å; E198-K200 VanDerWaalsContact O-N 3.17Å; E198-K200 WeakPolarHBondContact OE2-CE 3.35Å; E198-K200 IonicContact OE2-NZ 2.76Å
199V63.2Low65.8Low75 Ų7588.5 Ų88.546%0.45548%0.48SS..  trans-76102.4170.5-177.10000108.1R192 F201R192-V199 HydrophobicContact CB-CG1 4.2Å; R192-V199 HydrophobicContact CG-CG1 3.9Å; V199-F201 HydrophobicContact CB-CE2 4.45Å; V199-F201 HydrophobicContact CB-CZ 4.5Å; V199-F201 HydrophobicContact CG1-CD1 4.46Å; V199-F201 HydrophobicContact CG1-CD2 4.39Å; V199-F201 HydrophobicContact CG1-CE1 3.9Å; V199-F201 HydrophobicContact CG1-CE2 3.81Å; V199-F201 HydrophobicContact CG1-CZ 3.53Å
200K64.3Low66.9Low128 Ų12883.2 Ų83.256%0.55745%0.454SS*.EExtended strand (participates in β ladder)trans-88.3127.7170.5-67.3179.9-178.4174.80109.3E198E198-K200 PolarHBondContact O-N 3Å; E198-K200 VanDerWaalsContact O-N 3.17Å; E198-K200 WeakPolarHBondContact OE2-CE 3.35Å; E198-K200 IonicContact OE2-NZ 2.76Å
201F67.8Low67.8Low58 Ų5882.8 Ų82.825%0.25445%0.451SS..EExtended strand (participates in β ladder)trans-100.2123.1172.2-59.1-83000109V190 R192 V199 F240V190-F201 HydrophobicContact CG1-CB 4.02Å; V190-F201 HydrophobicContact CG1-CD1 3.73Å; V190-F201 HydrophobicContact CG1-CG 4.37Å; R192-F201 HydrophobicContact CG-CE1 4.3Å; V199-F201 HydrophobicContact CB-CE2 4.45Å; V199-F201 HydrophobicContact CB-CZ 4.5Å; V199-F201 HydrophobicContact CG1-CD1 4.46Å; V199-F201 HydrophobicContact CG1-CD2 4.39Å; V199-F201 HydrophobicContact CG1-CE1 3.9Å; V199-F201 HydrophobicContact CG1-CE2 3.81Å; V199-F201 HydrophobicContact CG1-CZ 3.53Å; F201-F240 HydrophobicContact CB-CD2 4.34Å; F201-F240 HydrophobicContact CB-CE2 4.17Å; F201-F240 AromaticContact CD1-CD1 3.98Å; F201-F240 HydrophobicContact CD1-CD1 3.98Å; F201-F240 HydrophobicContact CD1-CD2 4.08Å; F201-F240 HydrophobicContact CD1-CE1 4.12Å; F201-F240 HydrophobicContact CD1-CE2 4.25Å; F201-F240 AromaticContact CD1-CG 3.98Å; F201-F240 HydrophobicContact CD1-CG 3.98Å; F201-F240 HydrophobicContact CD1-CZ 4.26Å; F201-F240 HydrophobicContact CD2-CB 4.26Å; F201-F240 AromaticContact CD2-CD2 3.88Å; F201-F240 HydrophobicContact CD2-CD2 3.88Å; F201-F240 HydrophobicContact CD2-CG 4.1Å; F201-F240 HydrophobicContact CE1-CB 4.09Å; F201-F240 AromaticContact CE1-CD1 3.74Å; F201-F240 HydrophobicContact CE1-CD1 3.74Å; F201-F240 HydrophobicContact CE1-CD2 4.35Å; F201-F240 HydrophobicContact CE1-CE1 4.27Å; F201-F240 AromaticContact CE1-CG 3.8Å; F201-F240 HydrophobicContact CE1-CG 3.8Å; F201-F240 HydrophobicContact CE2-CB 3.67Å; F201-F240 HydrophobicContact CE2-CD2 4.17Å; F201-F240 AromaticContact CE2-CG 3.94Å; F201-F240 HydrophobicContact CE2-CG 3.94Å; F201-F240 AromaticContact CG-CD2 3.84Å; F201-F240 HydrophobicContact CG-CD2 3.84Å; F201-F240 HydrophobicContact CG-CE2 4.08Å; F201-F240 HydrophobicContact CG-CG 4.13Å; F201-F240 HydrophobicContact CZ-CB 3.57Å; F201-F240 HydrophobicContact CZ-CD1 4.13Å; F201-F240 HydrophobicContact CZ-CD2 4.39Å; F201-F240 AromaticContact CZ-CG 3.78Å; F201-F240 HydrophobicContact CZ-CG 3.78Å
202S71.4Confident69.4Low61 Ų6179.9 Ų79.943%0.42743%0.431SS..  trans-91.997.8170.256.60000109.8
203L77.8Confident70.6Confident52 Ų5275.6 Ų75.627%0.27242%0.419SS..  trans-89.9113.2176.2-70.4140.1000109.8I207 I208 I211 W236 F240L203-I207 HydrophobicContact CD2-CG2 4.24Å; L203-I208 HydrophobicContact CB-CD1 4.19Å; L203-I208 HydrophobicContact CB-CG1 4.21Å; L203-I208 HydrophobicContact CD2-CG1 4.01Å; L203-I211 HydrophobicContact CD2-CD1 4.16Å; L203-W236 HydrophobicContact CD1-CB 3.7Å; L203-W236 HydrophobicContact CD1-CD2 4.25Å; L203-W236 HydrophobicContact CD1-CG 3.71Å; L203-W236 HydrophobicContact CD2-CD2 4.29Å; L203-W236 HydrophobicContact CD2-CE3 4.31Å; L203-F240 HydrophobicContact CD1-CE2 3.94Å; L203-F240 HydrophobicContact CD2-CE2 3.78Å; L203-F240 HydrophobicContact CD2-CZ 3.83Å; L203-F240 HydrophobicContact CG-CE2 4.08Å; L203-F240 HydrophobicContact CG-CZ 4.43Å
204T79.9Confident72.2Confident69 Ų6973.3 Ų73.342%0.42340%0.403SS..  trans-84.1157.8165.960.30000109.8E206 I207 I208T204-E206 PolarHBondContact O-N 2.94Å; T204-I207 PolarHBondContact O-N 2.94Å; T204-I207 WeakPolarHBondContact OG1-CD1 3.42Å; T204-I207 VanDerWaalsContact OG1-CG1 3.29Å; T204-I207 WeakPolarHBondContact OG1-CG1 3.31Å; T204-I207 PolarHBondContact OG1-N 3.45Å; T204-I208 PolarHBondContact O-N 3.29Å
205S81Confident73.8Confident87 Ų8769 Ų6961%0.60838%0.378SS*.Hα-helixtrans-54-37174-168.80000111.5I207 I208 D209S205-I207 PolarHBondContact O-N 3.35Å; S205-I208 PolarHBondContact O-N 3Å; S205-D209 WeakPolarHBondContact O-CB 3.22Å; S205-D209 PolarHBondContact O-N 2.83Å
206E80.9Confident75.3Confident123 Ų12365.2 Ų65.258%0.57536%0.356SS*.Hα-helixtrans-63.8-40.6178.2-62.2176.6-178.700112.6T204 S210T204-E206 PolarHBondContact O-N 2.94Å; E206-S210 VanDerWaalsContact O-CB 3.32Å; E206-S210 WeakPolarHBondContact O-CB 3.49Å; E206-S210 PolarHBondContact O-N 2.95Å; E206-S210 PolarHBondContact O-OG 3.13Å
207I82.2Confident77.1Confident22 Ų2260.5 Ų60.511%0.11332%0.324CS..Hα-helixtrans-67-44.4176-68.1165000109.6V190 L203 T204 S205 D209 S210 I211V190-I207 HydrophobicContact CG2-CD1 4.33Å; V190-I207 HydrophobicContact CG2-CG2 4Å; L203-I207 HydrophobicContact CD2-CG2 4.24Å; T204-I207 PolarHBondContact O-N 2.94Å; T204-I207 WeakPolarHBondContact OG1-CD1 3.42Å; T204-I207 VanDerWaalsContact OG1-CG1 3.29Å; T204-I207 WeakPolarHBondContact OG1-CG1 3.31Å; T204-I207 PolarHBondContact OG1-N 3.45Å; S205-I207 PolarHBondContact O-N 3.35Å; I207-D209 VanDerWaalsContact C-N 3.35Å; I207-D209 PolarHBondContact O-N 2.8Å; I207-S210 CarbonylContact O-C 3.57Å; I207-S210 WeakPolarHBondContact O-CB 3.43Å; I207-S210 PolarHBondContact O-N 3.45Å; I207-I211 HydrophobicContact CG2-CD1 4.13Å; I207-I211 HydrophobicContact CG2-CG1 4.42Å; I207-I211 VanDerWaalsContact O-CG1 3.32Å; I207-I211 WeakPolarHBondContact O-CG1 3.03Å; I207-I211 PolarHBondContact O-N 3.14Å
208I84.9Confident78.4Confident28 Ų2852.7 Ų52.714%0.14428%0.283CS..Hα-helixtrans-59.5-46.7177.9-69.9172.1000110.8L203 T204 S205 S210 I211 F212 W236L203-I208 HydrophobicContact CB-CD1 4.19Å; L203-I208 HydrophobicContact CB-CG1 4.21Å; L203-I208 HydrophobicContact CD2-CG1 4.01Å; T204-I208 PolarHBondContact O-N 3.29Å; S205-I208 PolarHBondContact O-N 3Å; I208-S210 VanDerWaalsContact C-N 3.29Å; I208-S210 PolarHBondContact O-N 3.29Å; I208-I211 WeakPolarHBondContact O-CB 3.46Å; I208-I211 PolarHBondContact O-N 3.46Å; I208-I211 VanDerWaalsContact O-N 3.17Å; I208-F212 HydrophobicContact CG2-CD2 3.75Å; I208-F212 HydrophobicContact CG2-CE1 4.48Å; I208-F212 HydrophobicContact CG2-CE2 3.28Å; I208-F212 HydrophobicContact CG2-CZ 3.7Å; I208-F212 WeakPolarHBondContact O-CG 3.01Å; I208-F212 PolarHBondContact O-N 2.87Å; I208-W236 HydrophobicContact CB-CZ2 4.18Å; I208-W236 HydrophobicContact CD1-CZ2 4.23Å; I208-W236 HydrophobicContact CG1-CH2 4.38Å; I208-W236 HydrophobicContact CG1-CZ2 3.77Å; I208-W236 HydrophobicContact CG2-CH2 4.17Å; I208-W236 HydrophobicContact CG2-CZ2 3.6Å
209D83.9Confident80Confident92 Ų9252.6 Ų52.649%0.49228%0.28SS..Hα-helixtrans-62.4-39177.1-74.2-30.9000111.5S205 I207 F212 L213S205-D209 WeakPolarHBondContact O-CB 3.22Å; S205-D209 PolarHBondContact O-N 2.83Å; I207-D209 VanDerWaalsContact C-N 3.35Å; I207-D209 PolarHBondContact O-N 2.8Å; D209-F212 PolarHBondContact O-N 3Å; D209-L213 VanDerWaalsContact O-CB 3.28Å; D209-L213 WeakPolarHBondContact O-CB 3.04Å; D209-L213 PolarHBondContact O-N 3.35Å
210S82.4Confident81.1Confident21 Ų2155.5 Ų55.515%0.14729%0.287CS..Hα-helixtrans-64-40174-61.10000112.5E206 I207 I208 L213 T214E206-S210 VanDerWaalsContact O-CB 3.32Å; E206-S210 WeakPolarHBondContact O-CB 3.49Å; E206-S210 PolarHBondContact O-N 2.95Å; E206-S210 PolarHBondContact O-OG 3.13Å; I207-S210 CarbonylContact O-C 3.57Å; I207-S210 WeakPolarHBondContact O-CB 3.43Å; I207-S210 PolarHBondContact O-N 3.45Å; I208-S210 VanDerWaalsContact C-N 3.29Å; I208-S210 PolarHBondContact O-N 3.29Å; S210-L213 PolarHBondContact O-N 2.82Å; S210-T214 WeakPolarHBondContact O-CB 3.06Å; S210-T214 PolarHBondContact O-N 3.5Å; S210-T214 PolarHBondContact O-OG1 2.77Å
211I84.4Confident82.1Confident0 Ų051 Ų510%027%0.267CS..Hα-helixtrans-61.7-49.7173.1-66.1170.9000109.6F186 L187 L203 I207 I208 L213 T214 Y215 V218 W236 F239F186-I211 HydrophobicContact CE2-CB 4.38Å; F186-I211 HydrophobicContact CE2-CG1 3.61Å; F186-I211 HydrophobicContact CZ-CG1 4.34Å; L187-I211 HydrophobicContact CD2-CD1 4.28Å; L187-I211 HydrophobicContact CD2-CG1 4.06Å; L203-I211 HydrophobicContact CD2-CD1 4.16Å; I207-I211 HydrophobicContact CG2-CD1 4.13Å; I207-I211 HydrophobicContact CG2-CG1 4.42Å; I207-I211 VanDerWaalsContact O-CG1 3.32Å; I207-I211 WeakPolarHBondContact O-CG1 3.03Å; I207-I211 PolarHBondContact O-N 3.14Å; I208-I211 WeakPolarHBondContact O-CB 3.46Å; I208-I211 PolarHBondContact O-N 3.46Å; I208-I211 VanDerWaalsContact O-N 3.17Å; I211-L213 VanDerWaalsContact C-N 3.26Å; I211-L213 PolarHBondContact O-N 3.36Å; I211-T214 PolarHBondContact O-N 3.45Å; I211-Y215 HydrophobicContact CG2-CD2 4.3Å; I211-Y215 WeakPolarHBondContact O-CA 3.26Å; I211-Y215 WeakPolarHBondContact O-CB 3.32Å; I211-Y215 PolarHBondContact O-N 2.86Å; I211-V218 HydrophobicContact CG2-CB 4.41Å; I211-V218 HydrophobicContact CG2-CG1 4.06Å; I211-W236 HydrophobicContact CB-CH2 4.31Å; I211-W236 HydrophobicContact CB-CZ3 4.47Å; I211-W236 HydrophobicContact CD1-CE3 4.29Å; I211-W236 HydrophobicContact CD1-CH2 3.96Å; I211-W236 HydrophobicContact CD1-CZ3 3.54Å; I211-W236 HydrophobicContact CG2-CH2 4.06Å; I211-W236 HydrophobicContact CG2-CZ3 3.99Å; I211-F239 HydrophobicContact CD1-CE1 4.15Å; I211-F239 HydrophobicContact CG2-CE1 4.32Å; I211-F239 HydrophobicContact CG2-CZ 4.01Å
212F86.9Confident83Confident28 Ų2849.7 Ų49.712%0.12326%0.262CS..Hα-helixtrans-64.1-32.2-178.4-71.2-25.5000113.4I208 D209 V218 K219 H222 W236I208-F212 HydrophobicContact CG2-CD2 3.75Å; I208-F212 HydrophobicContact CG2-CE1 4.48Å; I208-F212 HydrophobicContact CG2-CE2 3.28Å; I208-F212 HydrophobicContact CG2-CZ 3.7Å; I208-F212 WeakPolarHBondContact O-CG 3.01Å; I208-F212 PolarHBondContact O-N 2.87Å; D209-F212 PolarHBondContact O-N 3Å; F212-V218 HydrophobicContact CD1-CG1 4.49Å; F212-V218 HydrophobicContact CE1-CG1 4.35Å; F212-K219 HydrophobicContact CB-CB 4.02Å; F212-K219 HydrophobicContact CB-CD 4.11Å; F212-K219 HydrophobicContact CB-CG 4.1Å; F212-K219 HydrophobicContact CD1-CB 3.68Å; F212-K219 HydrophobicContact CD1-CG 4.08Å; F212-K219 HydrophobicContact CD2-CG 4.46Å; F212-K219 HydrophobicContact CE1-CB 4.38Å; F212-K219 HydrophobicContact CG-CB 3.97Å; F212-K219 HydrophobicContact CG-CD 4.46Å; F212-K219 HydrophobicContact CG-CG 3.98Å; F212-H222 HydrophobicContact CE1-CB 3.85Å; F212-H222 HydrophobicContact CZ-CB 3.96Å; F212-H222 AromaticContact CZ-CD2 3.94Å; F212-H222 AromaticContact CZ-CG 3.62Å; F212-H222 AromaticContact CZ-ND1 3.79Å; F212-W236 HydrophobicContact CD1-CH2 4.42Å; F212-W236 AromaticContact CE1-CH2 3.76Å; F212-W236 HydrophobicContact CE1-CH2 3.76Å; F212-W236 AromaticContact CE1-CZ2 3.95Å; F212-W236 HydrophobicContact CE1-CZ2 3.95Å; F212-W236 HydrophobicContact CZ-CH2 4.09Å; F212-W236 AromaticContact CZ-CZ2 3.8Å; F212-W236 HydrophobicContact CZ-CZ2 3.8Å
213L83.3Confident83.8Confident53 Ų5350.5 Ų50.528%0.27727%0.272SS..Hα-helixtrans-77.2-37.3178.8-166.257.6000111.7V182 D209 S210 I211 A329 L332 T333V182-L213 HydrophobicContact CG2-CB 4.33Å; V182-L213 HydrophobicContact CG2-CD2 3.75Å; V182-L213 HydrophobicContact CG2-CG 4.38Å; D209-L213 VanDerWaalsContact O-CB 3.28Å; D209-L213 WeakPolarHBondContact O-CB 3.04Å; D209-L213 PolarHBondContact O-N 3.35Å; S210-L213 PolarHBondContact O-N 2.82Å; I211-L213 VanDerWaalsContact C-N 3.26Å; I211-L213 PolarHBondContact O-N 3.36Å; L213-A329 HydrophobicContact CB-CB 4.44Å; L213-A329 HydrophobicContact CD1-CB 4.35Å; L213-A329 HydrophobicContact CD2-CB 3.48Å; L213-A329 VanDerWaalsContact CD2-CB 3.48Å; L213-A329 HydrophobicContact CG-CB 3.42Å; L213-A329 VanDerWaalsContact CG-CB 3.42Å; L213-L332 HydrophobicContact CD1-CD1 4.07Å; L213-T333 HydrophobicContact CD2-CG2 4.42Å
214T80.8Confident84.3Confident0 Ų053.9 Ų53.90%029%0.286CS..Hα-helixtrans-77.1-39.6177.7-50.90000112.3F186 S210 I211 P216 Q325 V326F186-T214 HydrophobicContact CE1-CG2 4.22Å; F186-T214 VanDerWaalsContact CE1-OG1 3.3Å; F186-T214 WeakPolarHBondContact CE1-OG1 3.5Å; F186-T214 HydrophobicContact CZ-CG2 4.45Å; S210-T214 WeakPolarHBondContact O-CB 3.06Å; S210-T214 PolarHBondContact O-N 3.5Å; S210-T214 PolarHBondContact O-OG1 2.77Å; I211-T214 PolarHBondContact O-N 3.45Å; T214-P216 WeakPolarHBondContact O-CD 3.23Å; T214-Q325 HydrophobicContact CG2-CB 4.13Å; T214-Q325 VanDerWaalsContact O-CB 3.26Å; T214-Q325 WeakPolarHBondContact O-CB 3.46Å; T214-Q325 WeakPolarHBondContact O-CG 3.27Å; T214-Q325 PolarHBondContact O-NE2 2.98Å; T214-V326 HydrophobicContact CG2-CG2 4.18Å
215Y82.8Confident84.5Confident30 Ų3051.3 Ų51.312%0.11827%0.27CS..  trans-122.383-174.4-58.9-61.3000111.2F186 L187 I211 A217 V218 K219 Y244 H322F186-Y215 HydrophobicContact CZ-CE2 4.5Å; L187-Y215 HydrophobicContact CD1-CE2 4.18Å; I211-Y215 HydrophobicContact CG2-CD2 4.3Å; I211-Y215 WeakPolarHBondContact O-CA 3.26Å; I211-Y215 WeakPolarHBondContact O-CB 3.32Å; I211-Y215 PolarHBondContact O-N 2.86Å; Y215-A217 PolarHBondContact O-N 2.75Å; Y215-V218 WeakPolarHBondContact O-CB 3.39Å; Y215-V218 PolarHBondContact O-N 2.85Å; Y215-V218 VanDerWaalsContact O-N 3.07Å; Y215-K219 PolarHBondContact O-N 2.93Å; Y215-Y244 WeakPolarHBondContact CB-OH 3.14Å; Y215-Y244 HydrophobicContact CD1-CE1 4.09Å; Y215-Y244 AromaticContact CD1-CZ 3.87Å; Y215-Y244 WeakPolarHBondContact CD1-OH 3.42Å; Y215-Y244 HydrophobicContact CD2-CE1 4.44Å; Y215-Y244 HydrophobicContact CG-CE1 4.01Å; Y215-H322 AromaticContact CZ-ND1 3.7Å; Y215-H322 PolarHBondContact OH-ND1 2.94Å
216P84.1Confident84.7Confident49 Ų4948 Ų4832%0.31825%0.246SC..Hα-helixtrans-60.4-27.9-178-24.434.1000113.8T214 V218 K219 K220T214-P216 WeakPolarHBondContact O-CD 3.23Å; P216-V218 VanDerWaalsContact C-N 3.32Å; P216-V218 PolarHBondContact O-N 3.05Å; P216-K219 WeakPolarHBondContact O-CB 3.39Å; P216-K219 PolarHBondContact O-N 3.29Å; P216-K220 PolarHBondContact O-N 3.14Å; P216-K220 VanDerWaalsContact O-N 3.1Å
217A84.2Confident84.7Confident6 Ų647.5 Ų47.55%0.0525%0.253CS..Hα-helixtrans-61.7-39.817600000112Y215 K220 K221 C262Y215-A217 PolarHBondContact O-N 2.75Å; A217-K220 PolarHBondContact O-N 3.33Å; A217-K221 WeakPolarHBondContact O-CG 3.41Å; A217-K221 PolarHBondContact O-N 3.29Å; A217-C262 HydrophobicContact CB-CB 3.82Å
218V86Confident84.5Confident0 Ų057.2 Ų57.20%029%0.289CS..Hα-helixtrans-64.6-42.2177.1-177.20000110.4I211 F212 Y215 P216 K220 K221 H222 F235 W236 F239 Y244 F259I211-V218 HydrophobicContact CG2-CB 4.41Å; I211-V218 HydrophobicContact CG2-CG1 4.06Å; F212-V218 HydrophobicContact CD1-CG1 4.49Å; F212-V218 HydrophobicContact CE1-CG1 4.35Å; Y215-V218 WeakPolarHBondContact O-CB 3.39Å; Y215-V218 PolarHBondContact O-N 2.85Å; Y215-V218 VanDerWaalsContact O-N 3.07Å; P216-V218 VanDerWaalsContact C-N 3.32Å; P216-V218 PolarHBondContact O-N 3.05Å; V218-K220 VanDerWaalsContact C-N 3.33Å; V218-K220 PolarHBondContact O-N 3.05Å; V218-K221 PolarHBondContact O-N 3.01Å; V218-H222 WeakPolarHBondContact O-CB 3.18Å; V218-H222 PolarHBondContact O-N 3.2Å; V218-F235 HydrophobicContact CG1-CE1 4Å; V218-F235 HydrophobicContact CG1-CZ 3.86Å; V218-W236 HydrophobicContact CG1-CH2 4.41Å; V218-W236 HydrophobicContact CG1-CZ3 4.33Å; V218-F239 HydrophobicContact CB-CE2 4.38Å; V218-F239 HydrophobicContact CG1-CD2 3.99Å; V218-F239 HydrophobicContact CG1-CE2 3.97Å; V218-F239 HydrophobicContact CG2-CD2 4.06Å; V218-F239 HydrophobicContact CG2-CE2 3.45Å; V218-F239 VanDerWaalsContact CG2-CE2 3.45Å; V218-F239 HydrophobicContact CG2-CZ 4.29Å; V218-Y244 HydrophobicContact CG2-CD1 4.28Å; V218-Y244 HydrophobicContact CG2-CE1 3.6Å; V218-F259 HydrophobicContact CG1-CE1 4.48Å
219K87.7Confident84.1Confident122 Ų12262.6 Ų62.653%0.5331%0.313SS..Hα-helixtrans-59.5-42.7175.5-170.6-177.4-173.2167.80112.1F212 Y215 P216 H222 A223F212-K219 HydrophobicContact CB-CB 4.02Å; F212-K219 HydrophobicContact CB-CD 4.11Å; F212-K219 HydrophobicContact CB-CG 4.1Å; F212-K219 HydrophobicContact CD1-CB 3.68Å; F212-K219 HydrophobicContact CD1-CG 4.08Å; F212-K219 HydrophobicContact CD2-CG 4.46Å; F212-K219 HydrophobicContact CE1-CB 4.38Å; F212-K219 HydrophobicContact CG-CB 3.97Å; F212-K219 HydrophobicContact CG-CD 4.46Å; F212-K219 HydrophobicContact CG-CG 3.98Å; Y215-K219 PolarHBondContact O-N 2.93Å; P216-K219 WeakPolarHBondContact O-CB 3.39Å; P216-K219 PolarHBondContact O-N 3.29Å; K219-H222 PolarHBondContact O-N 3.32Å; K219-A223 PolarHBondContact O-N 3.15Å; K219-A223 VanDerWaalsContact O-N 3.08Å
220K87.5Confident84Confident136 Ų13658.6 Ų58.659%0.59129%0.292SS*.Hα-helixtrans-64.2-45.3176.7-72.3178.6-178.8174.30111.7P216 A217 V218 A223 Q224P216-K220 PolarHBondContact O-N 3.14Å; P216-K220 VanDerWaalsContact O-N 3.1Å; A217-K220 PolarHBondContact O-N 3.33Å; V218-K220 VanDerWaalsContact C-N 3.33Å; V218-K220 PolarHBondContact O-N 3.05Å; K220-A223 PolarHBondContact O-N 3.5Å; K220-Q224 VanDerWaalsContact O-CG 3.3Å; K220-Q224 WeakPolarHBondContact O-CG 3.38Å; K220-Q224 PolarHBondContact O-N 3.47Å
221K84.9Confident84.2Confident34 Ų3459.3 Ų59.315%0.14829%0.294CS..Hα-helixtrans-65.8-40177.8-69-76.5-175.6162.20111.5A217 V218 A223 Q224 L225 F235 F258 F259 D261A217-K221 WeakPolarHBondContact O-CG 3.41Å; A217-K221 PolarHBondContact O-N 3.29Å; V218-K221 PolarHBondContact O-N 3.01Å; K221-A223 PolarHBondContact O-N 3.34Å; K221-Q224 PolarHBondContact O-N 2.82Å; K221-Q224 VanDerWaalsContact O-N 3.15Å; K221-L225 HydrophobicContact CB-CD1 4.33Å; K221-L225 WeakPolarHBondContact O-CB 3.33Å; K221-L225 WeakPolarHBondContact O-CG 3.39Å; K221-L225 PolarHBondContact O-N 3.04Å; K221-F235 HydrophobicContact CB-CE2 4.24Å; K221-F258 WeakPolarHBondContact CE-O 3.36Å; K221-F258 PolarHBondContact NZ-O 3.36Å; K221-F259 HydrophobicContact CB-CE1 4.39Å; K221-D261 IonicContact NZ-OD2 3.92Å; K221-D261 PolarHBondContact NZ-OD2 2.88Å
222H87.1Confident84.2Confident31 Ų3162.1 Ų62.114%0.14431%0.307CS..Hα-helixtrans-57-48.5173.7-175.6-92.2000111.3F212 V218 K219 Q224 V226 F235F212-H222 HydrophobicContact CE1-CB 3.85Å; F212-H222 HydrophobicContact CZ-CB 3.96Å; F212-H222 AromaticContact CZ-CD2 3.94Å; F212-H222 AromaticContact CZ-CG 3.62Å; F212-H222 AromaticContact CZ-ND1 3.79Å; V218-H222 WeakPolarHBondContact O-CB 3.18Å; V218-H222 PolarHBondContact O-N 3.2Å; K219-H222 PolarHBondContact O-N 3.32Å; H222-Q224 PolarHBondContact O-N 3.27Å; H222-V226 WeakPolarHBondContact O-CA 3.34Å; H222-V226 VanDerWaalsContact O-CB 3.31Å; H222-V226 WeakPolarHBondContact O-CB 3.39Å; H222-V226 PolarHBondContact O-N 3.24Å; H222-F235 HydrophobicContact CB-CE1 3.99Å; H222-F235 HydrophobicContact CB-CE2 4.18Å; H222-F235 HydrophobicContact CB-CZ 3.7Å; H222-F235 AromaticContact CD2-CD1 3.7Å; H222-F235 AromaticContact CD2-CE1 3.73Å
223A87.6Confident84Confident78 Ų7864.7 Ų64.765%0.64533%0.325SS*.Hα-helixtrans-65.4-21.8178.700000114.5K219 K220 K221K219-A223 PolarHBondContact O-N 3.15Å; K219-A223 VanDerWaalsContact O-N 3.08Å; K220-A223 PolarHBondContact O-N 3.5Å; K221-A223 PolarHBondContact O-N 3.34Å
224Q87.2Confident84.1Confident122 Ų12266.6 Ų66.657%0.5733%0.332SS*.Hα-helixtrans-90-44.2179.2-71.6171.3-1.300112.3K220 K221 H222K220-Q224 VanDerWaalsContact O-CG 3.3Å; K220-Q224 WeakPolarHBondContact O-CG 3.38Å; K220-Q224 PolarHBondContact O-N 3.47Å; K221-Q224 PolarHBondContact O-N 2.82Å; K221-Q224 VanDerWaalsContact O-N 3.15Å; H222-Q224 PolarHBondContact O-N 3.27Å
225L84.1Confident84.4Confident16 Ų1666.6 Ų66.68%0.08433%0.332CS..Hα-helixtrans-90.2-34.1-171.4-63.4171.6000112.3K221 P227 R228 E229 M230 F235 F258K221-L225 HydrophobicContact CB-CD1 4.33Å; K221-L225 WeakPolarHBondContact O-CB 3.33Å; K221-L225 WeakPolarHBondContact O-CG 3.39Å; K221-L225 PolarHBondContact O-N 3.04Å; L225-P227 CarbonylContact O-C 3.44Å; L225-R228 PolarHBondContact O-N 2.87Å; L225-E229 HydrophobicContact CD2-CB 4.2Å; L225-E229 HydrophobicContact CD2-CG 4.29Å; L225-E229 VanDerWaalsContact CD2-OE2 3.27Å; L225-E229 WeakPolarHBondContact CD2-OE2 3.46Å; L225-E229 PolarHBondContact O-N 2.93Å; L225-M230 HydrophobicContact CB-CE 4.29Å; L225-M230 HydrophobicContact CB-CG 4.12Å; L225-M230 HydrophobicContact CB-SD 4.34Å; L225-M230 HydrophobicContact CD1-CE 3.9Å; L225-M230 HydrophobicContact CD1-SD 4.37Å; L225-M230 HydrophobicContact CD2-CE 4.43Å; L225-M230 HydrophobicContact CG-CE 4.44Å; L225-M230 PolarHBondContact O-N 3.38Å; L225-F235 HydrophobicContact CD1-CD2 4.45Å; L225-F235 HydrophobicContact CD1-CE2 4.34Å; L225-F258 HydrophobicContact CD1-CB 4.42Å; L225-F258 HydrophobicContact CD1-CD1 4.26Å
226V86.2Confident84.5Confident17 Ų1765.6 Ų65.610%0.10333%0.329CS..THydrogen-bonded Turntrans-99.3129-178.6-176.50000109.6H222 M230 E232 F235H222-V226 WeakPolarHBondContact O-CA 3.34Å; H222-V226 VanDerWaalsContact O-CB 3.31Å; H222-V226 WeakPolarHBondContact O-CB 3.39Å; H222-V226 PolarHBondContact O-N 3.24Å; V226-M230 HydrophobicContact CG2-CG 4.3Å; V226-E232 HydrophobicContact CG1-CG 3.68Å; V226-F235 HydrophobicContact CG2-CB 3.72Å; V226-F235 HydrophobicContact CG2-CD2 4Å; V226-F235 HydrophobicContact CG2-CG 3.87Å
227P80.2Confident84.4Confident112 Ų11266.1 Ų66.173%0.72733%0.331SS*.THydrogen-bonded Turncis-93.214.6-2.8-6.126.7000114.2L225L225-P227 CarbonylContact O-C 3.44Å
228R77.5Confident84.2Confident226 Ų22667.7 Ų67.785%0.85334%0.337SS*.THydrogen-bonded Turntrans-73.3-42.7-165.5-71.1-176.5177.9-179.31.3114.2L225L225-R228 PolarHBondContact O-N 2.87Å
229E77.9Confident84Confident142 Ų14267.7 Ų67.766%0.66434%0.337SS*.THydrogen-bonded Turntrans-111.3-33.8-176.5-65.1-160.4171.300112.7L225L225-E229 HydrophobicContact CD2-CB 4.2Å; L225-E229 HydrophobicContact CD2-CG 4.29Å; L225-E229 VanDerWaalsContact CD2-OE2 3.27Å; L225-E229 WeakPolarHBondContact CD2-OE2 3.46Å; L225-E229 PolarHBondContact O-N 2.93Å
230M81Confident83.6Confident8 Ų862 Ų624%0.03931%0.313CS..SBendtrans-143.9162.1178.866.9-173.967.400110.6L225 V226 E234 F235 F258L225-M230 HydrophobicContact CB-CE 4.29Å; L225-M230 HydrophobicContact CB-CG 4.12Å; L225-M230 HydrophobicContact CB-SD 4.34Å; L225-M230 HydrophobicContact CD1-CE 3.9Å; L225-M230 HydrophobicContact CD1-SD 4.37Å; L225-M230 HydrophobicContact CD2-CE 4.43Å; L225-M230 HydrophobicContact CG-CE 4.44Å; L225-M230 PolarHBondContact O-N 3.38Å; V226-M230 HydrophobicContact CG2-CG 4.3Å; M230-E234 HydrophobicContact CB-CB 4.24Å; M230-E234 HydrophobicContact CB-CG 4.14Å; M230-F235 HydrophobicContact CG-CB 4.01Å; M230-F235 HydrophobicContact CG-CD2 4.48Å; M230-F235 WeakPolarHBondContact SD-CA 3.37Å; M230-F235 HydrophobicContact SD-CB 3.68Å; M230-F235 HydrophobicContact SD-CD2 3.72Å; M230-F235 HydrophobicContact SD-CG 4.18Å; M230-F258 HydrophobicContact CE-CD1 3.99Å; M230-F258 HydrophobicContact CE-CD2 3.87Å; M230-F258 HydrophobicContact CE-CE1 3.77Å; M230-F258 HydrophobicContact CE-CE2 3.63Å; M230-F258 HydrophobicContact CE-CG 4.04Å; M230-F258 HydrophobicContact CE-CZ 3.57Å
231D86.4Confident82.8Confident35 Ų3560.4 Ų60.419%0.18731%0.307CS..  trans-91.4163.2177.1-17286.2000111.7M1 E2 T233 E234 F235M1-D231 WeakPolarHBondContact CA-OD2 3.46Å; M1-D231 PolarHBondContact N-OD1 3.4Å; M1-D231 PolarHBondContact N-OD2 3.4Å; E2-D231 VanDerWaalsContact N-CG 3.26Å; E2-D231 PolarHBondContact N-OD1 3.11Å; E2-D231 PolarHBondContact N-OD2 2.85Å; D231-T233 VanDerWaalsContact C-N 3.26Å; D231-T233 PolarHBondContact O-N 3.35Å; D231-T233 PolarHBondContact OD2-OG1 3.35Å; D231-E234 PolarHBondContact O-N 2.99Å; D231-F235 WeakPolarHBondContact O-CB 3.39Å; D231-F235 PolarHBondContact O-N 2.99Å
232E85.1Confident82.2Confident60 Ų6059.4 Ų59.428%0.2830%0.304SS..Hα-helixtrans-54.8-42.1-178.9-70.5-166.1-170.200112.3V226 E234 F235 W236V226-E232 HydrophobicContact CG1-CG 3.68Å; E232-E234 VanDerWaalsContact C-N 3.32Å; E232-E234 PolarHBondContact O-N 3.43Å; E232-F235 PolarHBondContact O-N 3.43Å; E232-W236 PolarHBondContact O-N 3.25Å
233T83.2Confident81.3Confident81 Ų8161.6 Ų61.650%0.49732%0.315SS..Hα-helixtrans-64.4-38.5179.9-19.40000112.1D231 T237D231-T233 VanDerWaalsContact C-N 3.26Å; D231-T233 PolarHBondContact O-N 3.35Å; D231-T233 PolarHBondContact OD2-OG1 3.35Å; T233-T237 VanDerWaalsContact O-CB 3.28Å; T233-T237 WeakPolarHBondContact O-CB 3.39Å; T233-T237 PolarHBondContact O-N 3.03Å; T233-T237 PolarHBondContact O-OG1 3.39Å
234E83.9Confident80.6Confident93 Ų9358.5 Ų58.544%0.43529%0.286SS..Hα-helixtrans-73.8-40.9179-174.7175.1-168.200111M230 D231 E232 T237 H238M230-E234 HydrophobicContact CB-CB 4.24Å; M230-E234 HydrophobicContact CB-CG 4.14Å; D231-E234 PolarHBondContact O-N 2.99Å; E232-E234 VanDerWaalsContact C-N 3.32Å; E232-E234 PolarHBondContact O-N 3.43Å; E234-T237 PolarHBondContact O-N 2.99Å; E234-H238 WeakPolarHBondContact O-CB 3.29Å; E234-H238 PolarHBondContact O-CD2 3.35Å; E234-H238 PolarHBondContact O-N 2.92Å; E234-H238 IonicContact OE1-NE2 2.68Å
235F87.2Confident79.7Confident0 Ų054.7 Ų54.70%027%0.268CS..Hα-helixtrans-58.4-50.9174.6178-91.6000111.8V218 K221 H222 L225 V226 M230 D231 E232 T237 H238 F239 F259V218-F235 HydrophobicContact CG1-CE1 4Å; V218-F235 HydrophobicContact CG1-CZ 3.86Å; K221-F235 HydrophobicContact CB-CE2 4.24Å; H222-F235 HydrophobicContact CB-CE1 3.99Å; H222-F235 HydrophobicContact CB-CE2 4.18Å; H222-F235 HydrophobicContact CB-CZ 3.7Å; H222-F235 AromaticContact CD2-CD1 3.7Å; H222-F235 AromaticContact CD2-CE1 3.73Å; L225-F235 HydrophobicContact CD1-CD2 4.45Å; L225-F235 HydrophobicContact CD1-CE2 4.34Å; V226-F235 HydrophobicContact CG2-CB 3.72Å; V226-F235 HydrophobicContact CG2-CD2 4Å; V226-F235 HydrophobicContact CG2-CG 3.87Å; M230-F235 HydrophobicContact CG-CB 4.01Å; M230-F235 HydrophobicContact CG-CD2 4.48Å; M230-F235 WeakPolarHBondContact SD-CA 3.37Å; M230-F235 HydrophobicContact SD-CB 3.68Å; M230-F235 HydrophobicContact SD-CD2 3.72Å; M230-F235 HydrophobicContact SD-CG 4.18Å; D231-F235 WeakPolarHBondContact O-CB 3.39Å; D231-F235 PolarHBondContact O-N 2.99Å; E232-F235 PolarHBondContact O-N 3.43Å; F235-T237 VanDerWaalsContact C-N 3.35Å; F235-T237 PolarHBondContact O-N 3.21Å; F235-H238 PolarHBondContact O-N 3.06Å; F235-F239 WeakPolarHBondContact O-CB 3.33Å; F235-F239 PolarHBondContact O-N 3.48Å; F235-F259 HydrophobicContact CD2-CZ 4.1Å; F235-F259 HydrophobicContact CE1-CZ 4.36Å; F235-F259 AromaticContact CE2-CE1 3.82Å; F235-F259 HydrophobicContact CE2-CE1 3.82Å; F235-F259 AromaticContact CE2-CZ 3.57Å; F235-F259 HydrophobicContact CE2-CZ 3.57Å; F235-F259 AromaticContact CZ-CE1 3.73Å; F235-F259 HydrophobicContact CZ-CE1 3.73Å; F235-F259 AromaticContact CZ-CZ 3.72Å; F235-F259 HydrophobicContact CZ-CZ 3.72Å
236W85.9Confident78.9Confident9 Ų956 Ų563%0.03427%0.274CS..Hα-helixtrans-67.5-37179.6-70.4119.2000111.9L203 I208 I211 F212 V218 E232 H238 F239 F240L203-W236 HydrophobicContact CD1-CB 3.7Å; L203-W236 HydrophobicContact CD1-CD2 4.25Å; L203-W236 HydrophobicContact CD1-CG 3.71Å; L203-W236 HydrophobicContact CD2-CD2 4.29Å; L203-W236 HydrophobicContact CD2-CE3 4.31Å; I208-W236 HydrophobicContact CB-CZ2 4.18Å; I208-W236 HydrophobicContact CD1-CZ2 4.23Å; I208-W236 HydrophobicContact CG1-CH2 4.38Å; I208-W236 HydrophobicContact CG1-CZ2 3.77Å; I208-W236 HydrophobicContact CG2-CH2 4.17Å; I208-W236 HydrophobicContact CG2-CZ2 3.6Å; I211-W236 HydrophobicContact CB-CH2 4.31Å; I211-W236 HydrophobicContact CB-CZ3 4.47Å; I211-W236 HydrophobicContact CD1-CE3 4.29Å; I211-W236 HydrophobicContact CD1-CH2 3.96Å; I211-W236 HydrophobicContact CD1-CZ3 3.54Å; I211-W236 HydrophobicContact CG2-CH2 4.06Å; I211-W236 HydrophobicContact CG2-CZ3 3.99Å; F212-W236 HydrophobicContact CD1-CH2 4.42Å; F212-W236 AromaticContact CE1-CH2 3.76Å; F212-W236 HydrophobicContact CE1-CH2 3.76Å; F212-W236 AromaticContact CE1-CZ2 3.95Å; F212-W236 HydrophobicContact CE1-CZ2 3.95Å; F212-W236 HydrophobicContact CZ-CH2 4.09Å; F212-W236 AromaticContact CZ-CZ2 3.8Å; F212-W236 HydrophobicContact CZ-CZ2 3.8Å; V218-W236 HydrophobicContact CG1-CH2 4.41Å; V218-W236 HydrophobicContact CG1-CZ3 4.33Å; E232-W236 PolarHBondContact O-N 3.25Å; W236-H238 PolarHBondContact O-N 2.79Å; W236-F239 HydrophobicContact CE3-CB 4.17Å; W236-F239 AromaticContact CE3-CD1 3.82Å; W236-F239 HydrophobicContact CE3-CD1 3.82Å; W236-F239 HydrophobicContact CE3-CG 4.15Å; W236-F239 AromaticContact CZ3-CD1 3.89Å; W236-F239 HydrophobicContact CZ3-CD1 3.89Å; W236-F239 HydrophobicContact CZ3-CE1 4.25Å; W236-F239 HydrophobicContact CZ3-CG 4.22Å; W236-F239 PolarHBondContact O-N 3.47Å; W236-F240 HydrophobicContact CB-CE2 4.47Å; W236-F240 HydrophobicContact CE3-CE2 4.47Å; W236-F240 WeakPolarHBondContact O-CD2 3.38Å; W236-F240 PolarHBondContact O-N 3.01Å
237T81.4Confident77.5Confident61 Ų6157.7 Ų57.737%0.37428%0.278SS..Hα-helixtrans-60.3-46.7173.3-60.70000111T233 E234 F235 F240 Q241T233-T237 VanDerWaalsContact O-CB 3.28Å; T233-T237 WeakPolarHBondContact O-CB 3.39Å; T233-T237 PolarHBondContact O-N 3.03Å; T233-T237 PolarHBondContact O-OG1 3.39Å; E234-T237 PolarHBondContact O-N 2.99Å; F235-T237 VanDerWaalsContact C-N 3.35Å; F235-T237 PolarHBondContact O-N 3.21Å; T237-F240 PolarHBondContact O-N 2.87Å; T237-Q241 HydrophobicContact CG2-CG 4.48Å; T237-Q241 VanDerWaalsContact CG2-NE2 3.3Å; T237-Q241 VanDerWaalsContact O-CB 3.31Å; T237-Q241 WeakPolarHBondContact O-CB 3.33Å; T237-Q241 WeakPolarHBondContact O-CG 3.45Å; T237-Q241 PolarHBondContact O-N 3.47Å
238H80.1Confident76.3Confident39 Ų3958.4 Ų58.418%0.18128%0.276CS..Hα-helixtrans-64.4-38.6174.7-78.6-48.3000112.5E234 F235 W236 Q241 S242 F259E234-H238 WeakPolarHBondContact O-CB 3.29Å; E234-H238 PolarHBondContact O-CD2 3.35Å; E234-H238 PolarHBondContact O-N 2.92Å; E234-H238 IonicContact OE1-NE2 2.68Å; F235-H238 PolarHBondContact O-N 3.06Å; W236-H238 PolarHBondContact O-N 2.79Å; H238-Q241 PolarHBondContact O-N 2.85Å; H238-S242 WeakPolarHBondContact O-CA 3.38Å; H238-S242 WeakPolarHBondContact O-CB 3.42Å; H238-S242 PolarHBondContact O-N 3.27Å; H238-F259 HydrophobicContact CB-CE2 4.13Å
239F82.6Confident75.3Confident0 Ų055.2 Ų55.20%026%0.264CS..Hα-helixtrans-60.8-51.1176.2174.7-103.3000111.5I211 V218 F235 W236 Q241 S242 Y244 F245 F259I211-F239 HydrophobicContact CD1-CE1 4.15Å; I211-F239 HydrophobicContact CG2-CE1 4.32Å; I211-F239 HydrophobicContact CG2-CZ 4.01Å; V218-F239 HydrophobicContact CB-CE2 4.38Å; V218-F239 HydrophobicContact CG1-CD2 3.99Å; V218-F239 HydrophobicContact CG1-CE2 3.97Å; V218-F239 HydrophobicContact CG2-CD2 4.06Å; V218-F239 HydrophobicContact CG2-CE2 3.45Å; V218-F239 VanDerWaalsContact CG2-CE2 3.45Å; V218-F239 HydrophobicContact CG2-CZ 4.29Å; F235-F239 WeakPolarHBondContact O-CB 3.33Å; F235-F239 PolarHBondContact O-N 3.48Å; W236-F239 HydrophobicContact CE3-CB 4.17Å; W236-F239 AromaticContact CE3-CD1 3.82Å; W236-F239 HydrophobicContact CE3-CD1 3.82Å; W236-F239 HydrophobicContact CE3-CG 4.15Å; W236-F239 AromaticContact CZ3-CD1 3.89Å; W236-F239 HydrophobicContact CZ3-CD1 3.89Å; W236-F239 HydrophobicContact CZ3-CE1 4.25Å; W236-F239 HydrophobicContact CZ3-CG 4.22Å; W236-F239 PolarHBondContact O-N 3.47Å; F239-Q241 VanDerWaalsContact C-N 3.31Å; F239-Q241 PolarHBondContact O-N 3.04Å; F239-S242 WeakPolarHBondContact O-CB 3.36Å; F239-S242 PolarHBondContact O-N 3.3Å; F239-S242 PolarHBondContact O-OG 3.4Å; F239-Y244 HydrophobicContact CD2-CD1 4.32Å; F239-Y244 AromaticContact CE2-CD1 3.53Å; F239-Y244 HydrophobicContact CE2-CD1 3.53Å; F239-Y244 AromaticContact CE2-CE1 3.8Å; F239-Y244 HydrophobicContact CE2-CE1 3.8Å; F239-Y244 HydrophobicContact CZ-CD1 4.27Å; F239-Y244 HydrophobicContact CZ-CE1 4.4Å; F239-F245 HydrophobicContact CE1-CD2 4.1Å; F239-F245 HydrophobicContact CZ-CD2 4.42Å; F239-F245 WeakPolarHBondContact O-CB 3.08Å; F239-F259 HydrophobicContact CB-CE2 4.13Å; F239-F259 HydrophobicContact CB-CZ 3.85Å; F239-F259 HydrophobicContact CD2-CD1 4.41Å; F239-F259 HydrophobicContact CD2-CE1 4.03Å; F239-F259 HydrophobicContact CD2-CZ 4.2Å
240F77.6Confident74.1Confident2 Ų255.6 Ų55.61%0.00927%0.27CS..Hα-helixtrans-68.1-29.1177.5-72.7-66.7000112.6V190 F201 L203 W236 T237 F245 H246V190-F240 HydrophobicContact CG1-CE1 4.47Å; V190-F240 HydrophobicContact CG1-CZ 4.22Å; F201-F240 HydrophobicContact CB-CD2 4.34Å; F201-F240 HydrophobicContact CB-CE2 4.17Å; F201-F240 AromaticContact CD1-CD1 3.98Å; F201-F240 HydrophobicContact CD1-CD1 3.98Å; F201-F240 HydrophobicContact CD1-CD2 4.08Å; F201-F240 HydrophobicContact CD1-CE1 4.12Å; F201-F240 HydrophobicContact CD1-CE2 4.25Å; F201-F240 AromaticContact CD1-CG 3.98Å; F201-F240 HydrophobicContact CD1-CG 3.98Å; F201-F240 HydrophobicContact CD1-CZ 4.26Å; F201-F240 HydrophobicContact CD2-CB 4.26Å; F201-F240 AromaticContact CD2-CD2 3.88Å; F201-F240 HydrophobicContact CD2-CD2 3.88Å; F201-F240 HydrophobicContact CD2-CG 4.1Å; F201-F240 HydrophobicContact CE1-CB 4.09Å; F201-F240 AromaticContact CE1-CD1 3.74Å; F201-F240 HydrophobicContact CE1-CD1 3.74Å; F201-F240 HydrophobicContact CE1-CD2 4.35Å; F201-F240 HydrophobicContact CE1-CE1 4.27Å; F201-F240 AromaticContact CE1-CG 3.8Å; F201-F240 HydrophobicContact CE1-CG 3.8Å; F201-F240 HydrophobicContact CE2-CB 3.67Å; F201-F240 HydrophobicContact CE2-CD2 4.17Å; F201-F240 AromaticContact CE2-CG 3.94Å; F201-F240 HydrophobicContact CE2-CG 3.94Å; F201-F240 AromaticContact CG-CD2 3.84Å; F201-F240 HydrophobicContact CG-CD2 3.84Å; F201-F240 HydrophobicContact CG-CE2 4.08Å; F201-F240 HydrophobicContact CG-CG 4.13Å; F201-F240 HydrophobicContact CZ-CB 3.57Å; F201-F240 HydrophobicContact CZ-CD1 4.13Å; F201-F240 HydrophobicContact CZ-CD2 4.39Å; F201-F240 AromaticContact CZ-CG 3.78Å; F201-F240 HydrophobicContact CZ-CG 3.78Å; L203-F240 HydrophobicContact CD1-CE2 3.94Å; L203-F240 HydrophobicContact CD2-CE2 3.78Å; L203-F240 HydrophobicContact CD2-CZ 3.83Å; L203-F240 HydrophobicContact CG-CE2 4.08Å; L203-F240 HydrophobicContact CG-CZ 4.43Å; W236-F240 HydrophobicContact CB-CE2 4.47Å; W236-F240 HydrophobicContact CE3-CE2 4.47Å; W236-F240 WeakPolarHBondContact O-CD2 3.38Å; W236-F240 PolarHBondContact O-N 3.01Å; T237-F240 PolarHBondContact O-N 2.87Å; F240-F245 AromaticContact CD1-CD1 3.99Å; F240-F245 HydrophobicContact CD1-CD1 3.99Å; F240-F245 HydrophobicContact CD1-CD2 4.07Å; F240-F245 AromaticContact CD1-CE1 3.84Å; F240-F245 HydrophobicContact CD1-CE1 3.84Å; F240-F245 AromaticContact CD1-CE2 3.91Å; F240-F245 HydrophobicContact CD1-CE2 3.91Å; F240-F245 HydrophobicContact CD1-CG 4.11Å; F240-F245 AromaticContact CD1-CZ 3.8Å; F240-F245 HydrophobicContact CD1-CZ 3.8Å; F240-F245 HydrophobicContact CE1-CD2 4.24Å; F240-F245 HydrophobicContact CE1-CE1 4.45Å; F240-F245 AromaticContact CE1-CE2 3.82Å; F240-F245 HydrophobicContact CE1-CE2 3.82Å; F240-F245 AromaticContact CE1-CZ 3.94Å; F240-F245 HydrophobicContact CE1-CZ 3.94Å; F240-H246 PolarHBondContact O-CE1 2.75Å; F240-H246 PolarHBondContact O-ND1 3.35Å
241Q72.8Confident72.8Confident102 Ų10259.9 Ų59.948%0.47729%0.291SS..Hα-helixtrans-79.3-21.8174-71.4172.91.600113.3T237 H238 F239T237-Q241 HydrophobicContact CG2-CG 4.48Å; T237-Q241 VanDerWaalsContact CG2-NE2 3.3Å; T237-Q241 VanDerWaalsContact O-CB 3.31Å; T237-Q241 WeakPolarHBondContact O-CB 3.33Å; T237-Q241 WeakPolarHBondContact O-CG 3.45Å; T237-Q241 PolarHBondContact O-N 3.47Å; H238-Q241 PolarHBondContact O-N 2.85Å; F239-Q241 VanDerWaalsContact C-N 3.31Å; F239-Q241 PolarHBondContact O-N 3.04Å
242S71.9Confident71.2Confident13 Ų1360.5 Ų60.59%0.09130%0.301CS..SBendtrans-66.1152.6-175740000112.2H238 F239 Y244 F245 H246H238-S242 WeakPolarHBondContact O-CA 3.38Å; H238-S242 WeakPolarHBondContact O-CB 3.42Å; H238-S242 PolarHBondContact O-N 3.27Å; F239-S242 WeakPolarHBondContact O-CB 3.36Å; F239-S242 PolarHBondContact O-N 3.3Å; F239-S242 PolarHBondContact O-OG 3.4Å; S242-Y244 PolarHBondContact O-N 2.78Å; S242-Y244 WeakPolarHBondContact OG-CB 3.45Å; S242-Y244 PolarHBondContact OG-N 3.32Å; S242-F245 PolarHBondContact O-N 2.74Å; S242-F245 VanDerWaalsContact O-N 3.16Å; S242-H246 PolarHBondContact O-N 3Å; S242-H246 VanDerWaalsContact O-N 3.14Å
243Q66.9Low69.6Low77 Ų7764.3 Ų64.336%0.3633%0.33SS..THydrogen-bonded Turntrans-60-23.1170.8-169.5179.84.700111.7F245 R247 Q251Q243-F245 VanDerWaalsContact C-N 3.26Å; Q243-F245 PolarHBondContact O-N 3.48Å; Q243-R247 WeakPolarHBondContact O-CA 3.45Å; Q243-R247 WeakPolarHBondContact O-CG 3.41Å; Q243-R247 PolarHBondContact O-N 3.15Å; Q243-Q251 HydrophobicContact CB-CG 4.46Å
244Y72.6Confident68.2Low13 Ų1364.1 Ų64.15%0.05135%0.345CS..THydrogen-bonded Turntrans-60.4-36.6177-173.7-94.8000112.1Y215 V218 F239 S242 R247 C262 L263 D266Y215-Y244 WeakPolarHBondContact CB-OH 3.14Å; Y215-Y244 HydrophobicContact CD1-CE1 4.09Å; Y215-Y244 AromaticContact CD1-CZ 3.87Å; Y215-Y244 WeakPolarHBondContact CD1-OH 3.42Å; Y215-Y244 HydrophobicContact CD2-CE1 4.44Å; Y215-Y244 HydrophobicContact CG-CE1 4.01Å; V218-Y244 HydrophobicContact CG2-CD1 4.28Å; V218-Y244 HydrophobicContact CG2-CE1 3.6Å; F239-Y244 HydrophobicContact CD2-CD1 4.32Å; F239-Y244 AromaticContact CE2-CD1 3.53Å; F239-Y244 HydrophobicContact CE2-CD1 3.53Å; F239-Y244 AromaticContact CE2-CE1 3.8Å; F239-Y244 HydrophobicContact CE2-CE1 3.8Å; F239-Y244 HydrophobicContact CZ-CD1 4.27Å; F239-Y244 HydrophobicContact CZ-CE1 4.4Å; S242-Y244 PolarHBondContact O-N 2.78Å; S242-Y244 WeakPolarHBondContact OG-CB 3.45Å; S242-Y244 PolarHBondContact OG-N 3.32Å; Y244-R247 WeakPolarHBondContact O-CD 3.23Å; Y244-R247 WeakPolarHBondContact O-CG 3.44Å; Y244-C262 HydrophobicContact CD2-CB 3.69Å; Y244-C262 HydrophobicContact CE2-CB 3.57Å; Y244-L263 HydrophobicContact CD2-CD2 3.52Å; Y244-L263 HydrophobicContact CD2-CG 3.84Å; Y244-L263 HydrophobicContact CE2-CD2 4.05Å; Y244-L263 HydrophobicContact CG-CD2 4.42Å; Y244-D266 VanDerWaalsContact CE2-OD2 3.27Å; Y244-D266 WeakPolarHBondContact CE2-OD2 3.48Å; Y244-D266 VanDerWaalsContact CZ-OD2 3.26Å; Y244-D266 PolarHBondContact OH-OD2 3.29Å
245F70.1Confident66.7Low43 Ų4361.3 Ų61.319%0.18934%0.337CS..THydrogen-bonded Turntrans-89.5-49.6175.6-177-95.9000112.6L187 F239 F240 S242 Q243 R247L187-F245 HydrophobicContact CB-CE2 4.39Å; L187-F245 HydrophobicContact CD1-CD2 4.4Å; L187-F245 HydrophobicContact CD1-CE2 3.93Å; L187-F245 HydrophobicContact CD2-CE2 4.06Å; L187-F245 HydrophobicContact CG-CE2 4.35Å; F239-F245 HydrophobicContact CE1-CD2 4.1Å; F239-F245 HydrophobicContact CZ-CD2 4.42Å; F239-F245 WeakPolarHBondContact O-CB 3.08Å; F240-F245 AromaticContact CD1-CD1 3.99Å; F240-F245 HydrophobicContact CD1-CD1 3.99Å; F240-F245 HydrophobicContact CD1-CD2 4.07Å; F240-F245 AromaticContact CD1-CE1 3.84Å; F240-F245 HydrophobicContact CD1-CE1 3.84Å; F240-F245 AromaticContact CD1-CE2 3.91Å; F240-F245 HydrophobicContact CD1-CE2 3.91Å; F240-F245 HydrophobicContact CD1-CG 4.11Å; F240-F245 AromaticContact CD1-CZ 3.8Å; F240-F245 HydrophobicContact CD1-CZ 3.8Å; F240-F245 HydrophobicContact CE1-CD2 4.24Å; F240-F245 HydrophobicContact CE1-CE1 4.45Å; F240-F245 AromaticContact CE1-CE2 3.82Å; F240-F245 HydrophobicContact CE1-CE2 3.82Å; F240-F245 AromaticContact CE1-CZ 3.94Å; F240-F245 HydrophobicContact CE1-CZ 3.94Å; S242-F245 PolarHBondContact O-N 2.74Å; S242-F245 VanDerWaalsContact O-N 3.16Å; Q243-F245 VanDerWaalsContact C-N 3.26Å; Q243-F245 PolarHBondContact O-N 3.48Å; F245-R247 PolarHBondContact O-N 3.36Å
246H66.8Low65.3Low44 Ų4468.1 Ų68.120%0.20437%0.367CS..SBendtrans-92.855.9-179-70.499.6000112.4F240 S242 D248 R249F240-H246 PolarHBondContact O-CE1 2.75Å; F240-H246 PolarHBondContact O-ND1 3.35Å; S242-H246 PolarHBondContact O-N 3Å; S242-H246 VanDerWaalsContact O-N 3.14Å; H246-D248 PolarHBondContact O-N 3.16Å; H246-R249 HydrophobicContact CB-CB 3.89Å; H246-R249 PolarHBondContact O-N 3.45Å
247R57.2Low64.3Low51 Ų5173 Ų7319%0.19239%0.39CS..THydrogen-bonded Turntrans-60.1-15.9-165-57.1172.881.5163.35.3116.6Q243 Y244 F245 L263 R318Q243-R247 WeakPolarHBondContact O-CA 3.45Å; Q243-R247 WeakPolarHBondContact O-CG 3.41Å; Q243-R247 PolarHBondContact O-N 3.15Å; Y244-R247 WeakPolarHBondContact O-CD 3.23Å; Y244-R247 WeakPolarHBondContact O-CG 3.44Å; F245-R247 PolarHBondContact O-N 3.36Å; R247-L263 VanDerWaalsContact NH2-CD2 3.35Å; R247-R318 VanDerWaalsContact NE-NE 3.16Å; R247-R318 VanDerWaalsContact NH2-CD 3.33Å
248D54Low63.6Low127 Ų12772 Ų7268%0.67938%0.381SS*.THydrogen-bonded Turntrans-96.9-8.4173.9-72.2-20.8000114H246H246-D248 PolarHBondContact O-N 3.16Å
249R57.3Low63.3Low159 Ų15970.5 Ų70.560%0.637%0.373SS*.SBendtrans-94123.6179.1-145.6164.381.9166.95.4108.6H246 Q251H246-R249 HydrophobicContact CB-CB 3.89Å; H246-R249 PolarHBondContact O-N 3.45Å; R249-Q251 PolarHBondContact O-N 2.99Å
250N52.5Low62.6Low150 Ų15072.3 Ų72.380%0.80239%0.386SS*.  trans-48.5139.2171.7-68.3-18.9000109.7A252N250-A252 PolarHBondContact O-N 3.25Å
251Q53.4Low62.5Low99 Ų9975.7 Ų75.746%0.46340%0.404SS..  trans-46127.1179.5-74.4-176-7.900110Q243 R249 E257Q243-Q251 HydrophobicContact CB-CG 4.46Å; R249-Q251 PolarHBondContact O-N 2.99Å; Q251-E257 PolarHBondContact NE2-OE1 2.97Å
252A52.5Low62.7Low48 Ų4870.8 Ų70.840%0.39738%0.382SS..  trans-61.5127.1168.800000107.4N250 G254 A255N250-A252 PolarHBondContact O-N 3.25Å; A252-G254 PolarHBondContact O-N 2.96Å; A252-A255 PolarHBondContact O-N 3.29Å
253P50.9Low62.8Low139 Ų13971.5 Ų71.590%0.90338%0.384SS*.THydrogen-bonded Turntrans-58.2115.8179.620.4-29.2000109.3
254G54.4Low63.2Low78 Ų7874.5 Ų74.580%0.80440%0.398SS*.THydrogen-bonded Turntrans107.80-177.800000116A252 K256A252-G254 PolarHBondContact O-N 2.96Å; G254-K256 PolarHBondContact O-N 2.96Å; G254-K256 VanDerWaalsContact O-N 3.12Å
255A53.6Low63.5Low33 Ų3377.3 Ų77.327%0.27341%0.413SS..  trans-64.8112.3172.900000110.3A252 E257A252-A255 PolarHBondContact O-N 3.29Å; A255-E257 PolarHBondContact O-N 2.86Å
256K57.9Low63.9Low143 Ų14375.4 Ų75.462%0.62241%0.405SS*.  trans-62.6131170.6-76.8178.9-179.2172.20109.3G254 F258G254-K256 PolarHBondContact O-N 2.96Å; G254-K256 VanDerWaalsContact O-N 3.12Å; K256-F258 HydrophobicContact CB-CD2 3.72Å; K256-F258 HydrophobicContact CB-CE2 3.44Å; K256-F258 VanDerWaalsContact CB-CE2 3.44Å; K256-F258 HydrophobicContact CB-CZ 4.07Å; K256-F258 HydrophobicContact CD-CE2 3.63Å; K256-F258 HydrophobicContact CD-CZ 3.66Å; K256-F258 HydrophobicContact CG-CE2 4.19Å; K256-F258 PolarHBondContact O-N 2.68Å
257E63.7Low64.3Low111 Ų11176 Ų7652%0.51941%0.41SS..  trans-7452.8-175.8-66.2-105.9149.800112.7Q251 A255 F259 S260Q251-E257 PolarHBondContact NE2-OE1 2.97Å; A255-E257 PolarHBondContact O-N 2.86Å; E257-F259 VanDerWaalsContact C-N 3.3Å; E257-F259 PolarHBondContact O-N 3.43Å; E257-S260 PolarHBondContact O-OG 3.18Å; E257-S260 WeakPolarHBondContact OE2-CB 3.34Å; E257-S260 PolarHBondContact OE2-OG 3.17Å
258F67.9Low65.4Low42 Ų4279.8 Ų79.818%0.18443%0.43CS..SBendtrans-71.2-27.6178.9-67-67.7000113.1K221 L225 M230 K256K221-F258 WeakPolarHBondContact CE-O 3.36Å; K221-F258 PolarHBondContact NZ-O 3.36Å; L225-F258 HydrophobicContact CD1-CB 4.42Å; L225-F258 HydrophobicContact CD1-CD1 4.26Å; M230-F258 HydrophobicContact CE-CD1 3.99Å; M230-F258 HydrophobicContact CE-CD2 3.87Å; M230-F258 HydrophobicContact CE-CE1 3.77Å; M230-F258 HydrophobicContact CE-CE2 3.63Å; M230-F258 HydrophobicContact CE-CG 4.04Å; M230-F258 HydrophobicContact CE-CZ 3.57Å; K256-F258 HydrophobicContact CB-CD2 3.72Å; K256-F258 HydrophobicContact CB-CE2 3.44Å; K256-F258 VanDerWaalsContact CB-CE2 3.44Å; K256-F258 HydrophobicContact CB-CZ 4.07Å; K256-F258 HydrophobicContact CD-CE2 3.63Å; K256-F258 HydrophobicContact CD-CZ 3.66Å; K256-F258 HydrophobicContact CG-CE2 4.19Å; K256-F258 PolarHBondContact O-N 2.68Å
259F72.6Confident66.6Low6 Ų676.7 Ų76.73%0.02641%0.413CS..SBendtrans-112.46.4-171.7-60.8-81.4000114V218 K221 F235 H238 F239 E257 D261 C262V218-F259 HydrophobicContact CG1-CE1 4.48Å; K221-F259 HydrophobicContact CB-CE1 4.39Å; F235-F259 HydrophobicContact CD2-CZ 4.1Å; F235-F259 HydrophobicContact CE1-CZ 4.36Å; F235-F259 AromaticContact CE2-CE1 3.82Å; F235-F259 HydrophobicContact CE2-CE1 3.82Å; F235-F259 AromaticContact CE2-CZ 3.57Å; F235-F259 HydrophobicContact CE2-CZ 3.57Å; F235-F259 AromaticContact CZ-CE1 3.73Å; F235-F259 HydrophobicContact CZ-CE1 3.73Å; F235-F259 AromaticContact CZ-CZ 3.72Å; F235-F259 HydrophobicContact CZ-CZ 3.72Å; H238-F259 HydrophobicContact CB-CE2 4.13Å; F239-F259 HydrophobicContact CB-CE2 4.13Å; F239-F259 HydrophobicContact CB-CZ 3.85Å; F239-F259 HydrophobicContact CD2-CD1 4.41Å; F239-F259 HydrophobicContact CD2-CE1 4.03Å; F239-F259 HydrophobicContact CD2-CZ 4.2Å; E257-F259 VanDerWaalsContact C-N 3.3Å; E257-F259 PolarHBondContact O-N 3.43Å; F259-D261 VanDerWaalsContact C-N 3.35Å; F259-D261 PolarHBondContact O-N 3.05Å; F259-C262 VanDerWaalsContact O-CB 3.26Å; F259-C262 WeakPolarHBondContact O-CB 3.45Å; F259-C262 PolarHBondContact O-N 3.26Å; F259-C262 VanDerWaalsContact O-N 3.09Å
260S68.5Low67.7Low38 Ų3869.8 Ų69.827%0.26639%0.387SS..Hα-helixtrans-61.8-43.6-178.947.50000111.8E257 C262 L263E257-S260 PolarHBondContact O-OG 3.18Å; E257-S260 WeakPolarHBondContact OE2-CB 3.34Å; E257-S260 PolarHBondContact OE2-OG 3.17Å; S260-C262 PolarHBondContact O-N 2.97Å; S260-L263 PolarHBondContact O-N 3.39Å
261D74.7Confident68.9Low73 Ų7368.6 Ų68.639%0.3937%0.372SS..Hα-helixtrans-59.9-28.2174.3-43.4-33.9000112.9K221 F259 L263 E264 I265K221-D261 IonicContact NZ-OD2 3.92Å; K221-D261 PolarHBondContact NZ-OD2 2.88Å; F259-D261 VanDerWaalsContact C-N 3.35Å; F259-D261 PolarHBondContact O-N 3.05Å; D261-L263 PolarHBondContact O-N 3.37Å; D261-E264 PolarHBondContact O-N 3.13Å; D261-E264 VanDerWaalsContact O-N 3.15Å; D261-I265 HydrophobicContact CB-CD1 4.19Å; D261-I265 WeakPolarHBondContact O-CD1 3.39Å; D261-I265 VanDerWaalsContact O-CG1 3.23Å; D261-I265 WeakPolarHBondContact O-CG1 3.33Å; D261-I265 PolarHBondContact O-N 3.26Å
262C77.7Confident70.2Confident0 Ų066.1 Ų66.10%037%0.365CS..Hα-helixtrans-63.5-33.6-176.8-61.90000111.4A217 Y244 F259 S260 D266A217-C262 HydrophobicContact CB-CB 3.82Å; Y244-C262 HydrophobicContact CD2-CB 3.69Å; Y244-C262 HydrophobicContact CE2-CB 3.57Å; F259-C262 VanDerWaalsContact O-CB 3.26Å; F259-C262 WeakPolarHBondContact O-CB 3.45Å; F259-C262 PolarHBondContact O-N 3.26Å; F259-C262 VanDerWaalsContact O-N 3.09Å; S260-C262 PolarHBondContact O-N 2.97Å; C262-D266 VanDerWaalsContact O-CB 3.3Å; C262-D266 WeakPolarHBondContact O-CB 3.42Å; C262-D266 PolarHBondContact O-N 2.88Å
263L73.5Confident71.3Confident27 Ų2764.3 Ų64.314%0.14135%0.349CS..Hα-helixtrans-66.8-40.2176.3-68.3175.3000111.7Y244 R247 S260 D261 N267Y244-L263 HydrophobicContact CD2-CD2 3.52Å; Y244-L263 HydrophobicContact CD2-CG 3.84Å; Y244-L263 HydrophobicContact CE2-CD2 4.05Å; Y244-L263 HydrophobicContact CG-CD2 4.42Å; R247-L263 VanDerWaalsContact NH2-CD2 3.35Å; S260-L263 PolarHBondContact O-N 3.39Å; D261-L263 PolarHBondContact O-N 3.37Å; L263-N267 VanDerWaalsContact O-CB 3.31Å; L263-N267 WeakPolarHBondContact O-CB 3.45Å; L263-N267 PolarHBondContact O-N 3.39Å; L263-N267 PolarHBondContact O-ND2 3.07Å; L263-N267 VanDerWaalsContact O-ND2 3.08Å
264E75.4Confident72.5Confident141 Ų14159.6 Ų59.666%0.65932%0.316SS*.Hα-helixtrans-69.9-45.5179.3-64.5-172.7168.100111.1D261 D266 N267 E268D261-E264 PolarHBondContact O-N 3.13Å; D261-E264 VanDerWaalsContact O-N 3.15Å; E264-D266 VanDerWaalsContact C-N 3.34Å; E264-D266 PolarHBondContact O-N 3.02Å; E264-N267 PolarHBondContact O-N 3.03Å; E264-E268 WeakPolarHBondContact O-CB 3.26Å; E264-E268 PolarHBondContact O-N 2.89Å
265I79Confident73.6Confident71 Ų7162 Ų6236%0.36431%0.306SS..Hα-helixtrans-58.3-46.5176.6-66.5163.8000110.7D261 E268 D269D261-I265 HydrophobicContact CB-CD1 4.19Å; D261-I265 WeakPolarHBondContact O-CD1 3.39Å; D261-I265 VanDerWaalsContact O-CG1 3.23Å; D261-I265 WeakPolarHBondContact O-CG1 3.33Å; D261-I265 PolarHBondContact O-N 3.26Å; I265-E268 PolarHBondContact O-N 3.37Å; I265-D269 WeakPolarHBondContact O-CB 3.33Å; I265-D269 PolarHBondContact O-N 3.15Å
266D77.7Confident74.6Confident4 Ų467.1 Ų67.12%0.02132%0.318CS..Hα-helixtrans-68.1-37.4-180-73.60.5000111.9Y244 C262 E264 D269 F270 Y321Y244-D266 VanDerWaalsContact CE2-OD2 3.27Å; Y244-D266 WeakPolarHBondContact CE2-OD2 3.48Å; Y244-D266 VanDerWaalsContact CZ-OD2 3.26Å; Y244-D266 PolarHBondContact OH-OD2 3.29Å; C262-D266 VanDerWaalsContact O-CB 3.3Å; C262-D266 WeakPolarHBondContact O-CB 3.42Å; C262-D266 PolarHBondContact O-N 2.88Å; E264-D266 VanDerWaalsContact C-N 3.34Å; E264-D266 PolarHBondContact O-N 3.02Å; D266-D269 PolarHBondContact O-N 2.96Å; D266-F270 WeakPolarHBondContact O-CB 3.37Å; D266-F270 PolarHBondContact O-N 3.38Å; D266-Y321 HydrophobicContact CB-CD1 4.3Å; D266-Y321 HydrophobicContact CB-CE1 3.6Å; D266-Y321 WeakPolarHBondContact O-CE2 3.16Å; D266-Y321 PolarHBondContact OD1-OH 2.95Å
267N75.2Confident75.2Confident56 Ų5667 Ų6730%0.29932%0.315SS..Hα-helixtrans-67-39.8175-75.3-27.7000111.6L263 E264 F270 R271L263-N267 VanDerWaalsContact O-CB 3.31Å; L263-N267 WeakPolarHBondContact O-CB 3.45Å; L263-N267 PolarHBondContact O-N 3.39Å; L263-N267 PolarHBondContact O-ND2 3.07Å; L263-N267 VanDerWaalsContact O-ND2 3.08Å; E264-N267 PolarHBondContact O-N 3.03Å; N267-F270 PolarHBondContact O-N 3.44Å; N267-R271 VanDerWaalsContact O-CG 3.27Å; N267-R271 WeakPolarHBondContact O-CG 3.46Å; N267-R271 PolarHBondContact O-N 2.82Å
268E80.2Confident75.4Confident131 Ų13166.6 Ų66.661%0.61231%0.309SS*.Hα-helixtrans-66.8-40.5175.5-171.4175.6-164.400111.5E264 I265 R271 S272E264-E268 WeakPolarHBondContact O-CB 3.26Å; E264-E268 PolarHBondContact O-N 2.89Å; I265-E268 PolarHBondContact O-N 3.37Å; E268-R271 PolarHBondContact O-N 3.21Å; E268-S272 WeakPolarHBondContact O-CB 3.32Å; E268-S272 PolarHBondContact O-N 3.28Å; E268-S272 PolarHBondContact O-OG 3.35Å
269D80.9Confident75.3Confident61 Ų6171.2 Ų71.233%0.32633%0.331SS..Hα-helixtrans-62.7-44.9172.5-17652.4000110.8I265 D266 R271 S272 Q273 Y321I265-D269 WeakPolarHBondContact O-CB 3.33Å; I265-D269 PolarHBondContact O-N 3.15Å; D266-D269 PolarHBondContact O-N 2.96Å; D269-R271 PolarHBondContact O-N 2.87Å; D269-S272 PolarHBondContact O-N 2.58Å; D269-Q273 WeakPolarHBondContact O-CB 3.42Å; D269-Q273 WeakPolarHBondContact O-CG 3.48Å; D269-Q273 PolarHBondContact O-N 3.12Å; D269-Q273 PolarHBondContact OD2-NE2 3.37Å; D269-Y321 HydrophobicContact CB-CE2 4.35Å; D269-Y321 WeakPolarHBondContact OD2-CE2 3.4Å; D269-Y321 PolarHBondContact OD2-OH 3.46Å
270F79.8Confident74.9Confident15 Ų1575 Ų757%0.06635%0.352CS..Hα-helixtrans-60-43.2175.3-173.5-124000112.7D266 N267 Q273 L274 N317 N320 Y321D266-F270 WeakPolarHBondContact O-CB 3.37Å; D266-F270 PolarHBondContact O-N 3.38Å; N267-F270 PolarHBondContact O-N 3.44Å; F270-Q273 WeakPolarHBondContact O-CB 3.44Å; F270-Q273 PolarHBondContact O-N 2.86Å; F270-L274 HydrophobicContact CD1-CD1 3.69Å; F270-L274 HydrophobicContact CD2-CD1 4.33Å; F270-L274 HydrophobicContact CE1-CD1 3.3Å; F270-L274 HydrophobicContact CE1-CG 4.43Å; F270-L274 HydrophobicContact CE2-CD1 4.01Å; F270-L274 HydrophobicContact CE2-CG 4.36Å; F270-L274 HydrophobicContact CG-CD1 4.2Å; F270-L274 HydrophobicContact CZ-CD1 3.48Å; F270-L274 VanDerWaalsContact CZ-CD1 3.48Å; F270-L274 HydrophobicContact CZ-CG 4.18Å; F270-L274 PolarHBondContact O-N 3.08Å; F270-N317 HydrophobicContact CD1-CB 4.43Å; F270-N317 HydrophobicContact CE1-CB 3.96Å; F270-N320 HydrophobicContact CE2-CB 3.89Å; F270-N320 HydrophobicContact CZ-CB 3.56Å; F270-Y321 HydrophobicContact CB-CD2 3.52Å; F270-Y321 HydrophobicContact CB-CE2 4.16Å; F270-Y321 HydrophobicContact CB-CG 4.23Å; F270-Y321 AromaticContact CD2-CD2 3.77Å; F270-Y321 HydrophobicContact CD2-CD2 3.77Å; F270-Y321 HydrophobicContact CD2-CG 4.3Å; F270-Y321 AromaticContact CG-CD2 3.96Å; F270-Y321 HydrophobicContact CG-CD2 3.96Å; F270-Y321 HydrophobicContact CG-CG 4.44Å
271R78.4Confident74.6Confident125 Ų12576.1 Ų76.147%0.47236%0.355SS..Hα-helixtrans-61-46.8175.5-73.6-172.4176.797.2-0.8111.6N267 E268 D269 Q273 L274 E275 F294N267-R271 VanDerWaalsContact O-CG 3.27Å; N267-R271 WeakPolarHBondContact O-CG 3.46Å; N267-R271 PolarHBondContact O-N 2.82Å; E268-R271 PolarHBondContact O-N 3.21Å; D269-R271 PolarHBondContact O-N 2.87Å; R271-Q273 VanDerWaalsContact C-N 3.27Å; R271-Q273 PolarHBondContact O-N 3.07Å; R271-L274 PolarHBondContact O-N 2.93Å; R271-E275 PolarHBondContact O-N 3.38Å; R271-F294 HydrophobicContact CB-CZ 4.26Å; R271-F294 HydrophobicContact CG-CE1 3.66Å; R271-F294 HydrophobicContact CG-CZ 3.6Å; R271-F294 VanDerWaalsContact NE-CE1 3.33Å
272S80.8Confident73.8Confident47 Ų4777 Ų7733%0.32936%0.364SS..Hα-helixtrans-62-36.1177-57.50000111.9E268 D269 R276E268-S272 WeakPolarHBondContact O-CB 3.32Å; E268-S272 PolarHBondContact O-N 3.28Å; E268-S272 PolarHBondContact O-OG 3.35Å; D269-S272 PolarHBondContact O-N 2.58Å; S272-R276 WeakPolarHBondContact O-CG 3.47Å; S272-R276 PolarHBondContact O-N 3.13Å
273Q75.2Confident72.8Confident10 Ų1084 Ų845%0.04740%0.397CS..Hα-helixtrans-66.1-49.1174.5-70.6176.943.600111.4D269 F270 R271 E275 R276 Y277 N324 K328D269-Q273 WeakPolarHBondContact O-CB 3.42Å; D269-Q273 WeakPolarHBondContact O-CG 3.48Å; D269-Q273 PolarHBondContact O-N 3.12Å; D269-Q273 PolarHBondContact OD2-NE2 3.37Å; F270-Q273 WeakPolarHBondContact O-CB 3.44Å; F270-Q273 PolarHBondContact O-N 2.86Å; R271-Q273 VanDerWaalsContact C-N 3.27Å; R271-Q273 PolarHBondContact O-N 3.07Å; Q273-E275 VanDerWaalsContact C-N 3.34Å; Q273-E275 PolarHBondContact O-N 2.85Å; Q273-R276 PolarHBondContact O-N 3Å; Q273-Y277 WeakPolarHBondContact O-CD2 3.41Å; Q273-Y277 PolarHBondContact O-N 3.47Å; Q273-N324 PolarHBondContact OE1-ND2 3.15Å; Q273-N324 PolarHBondContact OE1-OD1 3.47Å; Q273-K328 VanDerWaalsContact CG-NZ 3.34Å; Q273-K328 VanDerWaalsContact OE1-NZ 3.14Å
274L76.1Confident72Confident40 Ų4088.3 Ų88.321%0.20942%0.42CS..Hα-helixtrans-56.9-46.6176.9-87.7153.8000111.5F270 R271 R276 Y277 Y278F270-L274 HydrophobicContact CD1-CD1 3.69Å; F270-L274 HydrophobicContact CD2-CD1 4.33Å; F270-L274 HydrophobicContact CE1-CD1 3.3Å; F270-L274 HydrophobicContact CE1-CG 4.43Å; F270-L274 HydrophobicContact CE2-CD1 4.01Å; F270-L274 HydrophobicContact CE2-CG 4.36Å; F270-L274 HydrophobicContact CG-CD1 4.2Å; F270-L274 HydrophobicContact CZ-CD1 3.48Å; F270-L274 VanDerWaalsContact CZ-CD1 3.48Å; F270-L274 HydrophobicContact CZ-CG 4.18Å; F270-L274 PolarHBondContact O-N 3.08Å; R271-L274 PolarHBondContact O-N 2.93Å; L274-R276 VanDerWaalsContact C-N 3.33Å; L274-R276 PolarHBondContact O-N 3.37Å; L274-Y277 PolarHBondContact O-N 3.23Å; L274-Y277 VanDerWaalsContact O-N 3.08Å; L274-Y278 HydrophobicContact CB-CD2 4.45Å; L274-Y278 HydrophobicContact CB-CE2 4.3Å; L274-Y278 HydrophobicContact CD2-CD2 4.49Å; L274-Y278 HydrophobicContact CD2-CE2 3.64Å; L274-Y278 WeakPolarHBondContact O-CD2 3.05Å; L274-Y278 PolarHBondContact O-N 3.35Å
275E76.2Confident70.9Confident128 Ų12883.3 Ų83.360%0.59840%0.404SS*.Hα-helixtrans-57.7-45.2178.9-169168.2-151.900111.7R271 Q273 Y277 Y278 E279R271-E275 PolarHBondContact O-N 3.38Å; Q273-E275 VanDerWaalsContact C-N 3.34Å; Q273-E275 PolarHBondContact O-N 2.85Å; E275-Y277 PolarHBondContact O-N 3.49Å; E275-Y278 PolarHBondContact O-N 3.04Å; E275-E279 WeakPolarHBondContact O-CG 3.48Å; E275-E279 PolarHBondContact O-N 3.49Å
276R76.1Confident69.4Low140 Ų14086.5 Ų86.553%0.52843%0.426SS..Hα-helixtrans-62.4-38.4174.3-69.9177.6-171.9-175.65.8113.3S272 Q273 L274 E279 D280S272-R276 WeakPolarHBondContact O-CG 3.47Å; S272-R276 PolarHBondContact O-N 3.13Å; Q273-R276 PolarHBondContact O-N 3Å; L274-R276 VanDerWaalsContact C-N 3.33Å; L274-R276 PolarHBondContact O-N 3.37Å; R276-E279 PolarHBondContact O-N 2.68Å; R276-D280 PolarHBondContact O-N 2.69Å; R276-D280 VanDerWaalsContact O-N 3.16Å
277Y69.4Low67.8Low140 Ų14088.6 Ų88.655%0.54944%0.444SS..Hα-helixtrans-65.9-39.8176.7-85.5-72.8000111.9Q273 L274 E275 D280 D281Q273-Y277 WeakPolarHBondContact O-CD2 3.41Å; Q273-Y277 PolarHBondContact O-N 3.47Å; L274-Y277 PolarHBondContact O-N 3.23Å; L274-Y277 VanDerWaalsContact O-N 3.08Å; E275-Y277 PolarHBondContact O-N 3.49Å; Y277-D280 PolarHBondContact O-N 3.15Å; Y277-D281 PolarHBondContact O-N 2.89Å
278Y67.8Low66Low103 Ų10392.9 Ų92.940%0.40447%0.472SS..Hα-helixtrans-71.2-30.3177-73.9-66.1000113.1L274 E275 A285 I293L274-Y278 HydrophobicContact CB-CD2 4.45Å; L274-Y278 HydrophobicContact CB-CE2 4.3Å; L274-Y278 HydrophobicContact CD2-CD2 4.49Å; L274-Y278 HydrophobicContact CD2-CE2 3.64Å; L274-Y278 WeakPolarHBondContact O-CD2 3.05Å; L274-Y278 PolarHBondContact O-N 3.35Å; E275-Y278 PolarHBondContact O-N 3.04Å; Y278-A285 HydrophobicContact CD1-CB 4.2Å; Y278-A285 HydrophobicContact CE1-CB 4.23Å; Y278-I293 HydrophobicContact CE1-CD1 4.49Å; Y278-I293 HydrophobicContact CE2-CD1 4.22Å; Y278-I293 WeakPolarHBondContact OH-CD1 3.22Å
279E67Low63.9Low139 Ų13989.3 Ų89.365%0.6546%0.46SS*.Hα-helixtrans-67.7-35.6171.6-73.8-177.7167.100112.6E275 R276E275-E279 WeakPolarHBondContact O-CG 3.48Å; E275-E279 PolarHBondContact O-N 3.49Å; R276-E279 PolarHBondContact O-N 2.68Å
280D63Low62.2Low87 Ų8793.1 Ų93.147%0.46549%0.491SS..Hα-helixtrans-76.1-31.6-176.1-98-22.6000113.7R276 Y277 N356R276-D280 PolarHBondContact O-N 2.69Å; R276-D280 VanDerWaalsContact O-N 3.16Å; Y277-D280 PolarHBondContact O-N 3.15Å; D280-N356 PolarHBondContact O-ND2 3.21Å; D280-N356 PolarHBondContact OD1-ND2 2.83Å
281D61.9Low60.5Low60 Ų6097.2 Ų97.232%0.32151%0.509SS..  trans-141.977.1-178.7-160.44.1000112.9Y277 E283 N284Y277-D281 PolarHBondContact O-N 2.89Å; D281-E283 PolarHBondContact O-N 3.24Å; D281-E283 VanDerWaalsContact O-N 3.14Å; D281-N284 PolarHBondContact O-N 3.39Å; D281-N284 PolarHBondContact OD2-ND2 3.29Å
282P58.7Low59.3Low91 Ų9194.9 Ų94.959%0.59151%0.511SS*.G310 helixtrans-64-19.9-177.424.8-34.1000113.5
283E57.3Low58Low147 Ų14795.4 Ų95.469%0.68751%0.51SS*.G310 helixtrans-82.6-20.9-178.2-80.6171.9-156.300113.7D281 A285 R360D281-E283 PolarHBondContact O-N 3.24Å; D281-E283 VanDerWaalsContact O-N 3.14Å; E283-A285 VanDerWaalsContact C-N 3.29Å; E283-R360 IonicContact OE1-CZ 3.91Å; E283-R360 IonicContact OE1-NH2 2.84Å; E283-R360 PolarHBondContact OE1-NH2 3.42Å; E283-R360 IonicContact OE2-CZ 3.94Å; E283-R360 IonicContact OE2-NH2 2.79Å; E283-R360 PolarHBondContact OE2-NH2 3.45Å
284N55.9Low56.9Low118 Ų11898.6 Ų98.663%0.63152%0.524SS*.G310 helixtrans-88.46.3174.9-94.9-29.8000113.3D281 V286D281-N284 PolarHBondContact O-N 3.39Å; D281-N284 PolarHBondContact OD2-ND2 3.29Å; N284-V286 PolarHBondContact O-N 2.86Å
285A51.7Low56Low37 Ų37102 Ų10231%0.30654%0.539SS..  trans-69.977167.900000110Y278 E283 A287Y278-A285 HydrophobicContact CD1-CB 4.2Å; Y278-A285 HydrophobicContact CE1-CB 4.23Å; E283-A285 VanDerWaalsContact C-N 3.29Å; A285-A287 PolarHBondContact O-N 3.42Å
286V49Very low54.9Low137 Ų13798.7 Ų98.783%0.8352%0.523SS*.  trans-69.916176.3-173.70000112.5N284N284-V286 PolarHBondContact O-N 2.86Å
287A43Very low53.8Low49 Ų4994.5 Ų94.541%0.40551%0.51SS..  trans-110.483.516100000107.6A285 T289A285-A287 PolarHBondContact O-N 3.42Å; A287-T289 PolarHBondContact O-N 3.23Å
288T36.9Very low53.2Low145 Ų14590.4 Ų90.489%0.8951%0.505SS*.  trans-66.168.1153.2-50.60000107.8
289T38Very low52.5Low57 Ų5788.5 Ų88.535%0.3550%0.502SS..  trans-120.8120158.624.90000104.8A287 K291 E296A287-T289 PolarHBondContact O-N 3.23Å; T289-K291 CarbonylContact O-C 3.52Å; T289-K291 PolarHBondContact O-N 3.33Å; T289-K291 VanDerWaalsContact O-O 3.04Å; T289-E296 WeakPolarHBondContact CB-OE1 3.41Å; T289-E296 WeakPolarHBondContact CG2-OE1 3.22Å; T289-E296 PolarHBondContact OG1-OE1 3.24Å; T289-E296 PolarHBondContact OG1-OE2 3.38Å
290S43.6Very low51.8Low141 Ų14186.6 Ų86.699%0.98649%0.493SS*.SBendtrans-58.36.6-179.27.70000114.2
291K45.7Very low51.3Low100 Ų10085.3 Ų85.344%0.43550%0.495SS..SBendtrans-113.8124.9178.5-71.4-175.5179.8-173.70106.1T289 I293 Q295 E296 D299T289-K291 CarbonylContact O-C 3.52Å; T289-K291 PolarHBondContact O-N 3.33Å; T289-K291 VanDerWaalsContact O-O 3.04Å; K291-I293 PolarHBondContact O-N 2.97Å; K291-Q295 HydrophobicContact CB-CB 4.03Å; K291-Q295 HydrophobicContact CB-CG 4.21Å; K291-Q295 HydrophobicContact CD-CG 4.32Å; K291-Q295 HydrophobicContact CG-CG 4.25Å; K291-E296 HydrophobicContact CB-CG 3.71Å; K291-E296 HydrophobicContact CD-CG 4.28Å; K291-D299 IonicContact NZ-OD2 3.83Å; K291-D299 PolarHBondContact NZ-OD2 3.26Å
292S51.4Low51Low76 Ų7689 Ų8953%0.53151%0.514SS..  trans-43.4137.8166.11720000108.5F294 Q295 E296S292-F294 CarbonylContact O-C 3.58Å; S292-F294 PolarHBondContact O-N 3.48Å; S292-Q295 WeakPolarHBondContact O-CA 3.35Å; S292-Q295 VanDerWaalsContact O-CB 3.23Å; S292-Q295 WeakPolarHBondContact O-CB 3.41Å; S292-Q295 PolarHBondContact O-N 3.08Å; S292-E296 PolarHBondContact O-N 3.04Å; S292-E296 VanDerWaalsContact O-N 3.15Å
293I54.1Low50.8Low58 Ų5889.1 Ų89.130%0.29751%0.51SS..Hα-helixtrans-49.3-28.6179.1-70.2166.4000111.2Y278 K291 E296 M297Y278-I293 HydrophobicContact CE1-CD1 4.49Å; Y278-I293 HydrophobicContact CE2-CD1 4.22Å; Y278-I293 WeakPolarHBondContact OH-CD1 3.22Å; K291-I293 PolarHBondContact O-N 2.97Å; I293-E296 PolarHBondContact O-N 2.94Å; I293-M297 HydrophobicContact CG2-CE 3.49Å; I293-M297 VanDerWaalsContact CG2-CE 3.49Å; I293-M297 WeakPolarHBondContact O-CG 3.43Å; I293-M297 PolarHBondContact O-N 2.99Å
294F53.3Low50.7Low78 Ų7891.9 Ų91.934%0.34252%0.523SS..Hα-helixtrans-69.1-34.7173.4-66.6-73.1000114.7R271 S292 A298R271-F294 HydrophobicContact CB-CZ 4.26Å; R271-F294 HydrophobicContact CG-CE1 3.66Å; R271-F294 HydrophobicContact CG-CZ 3.6Å; R271-F294 VanDerWaalsContact NE-CE1 3.33Å; S292-F294 CarbonylContact O-C 3.58Å; S292-F294 PolarHBondContact O-N 3.48Å; F294-A298 WeakPolarHBondContact O-CB 3.44Å; F294-A298 PolarHBondContact O-N 3.44Å
295Q55.9Low50.8Low111 Ų11191.4 Ų91.452%0.51952%0.521SS..Hα-helixtrans-70.7-38.8173.9-166.610132.800110.7K291 S292 A298 D299K291-Q295 HydrophobicContact CB-CB 4.03Å; K291-Q295 HydrophobicContact CB-CG 4.21Å; K291-Q295 HydrophobicContact CD-CG 4.32Å; K291-Q295 HydrophobicContact CG-CG 4.25Å; S292-Q295 WeakPolarHBondContact O-CA 3.35Å; S292-Q295 VanDerWaalsContact O-CB 3.23Å; S292-Q295 WeakPolarHBondContact O-CB 3.41Å; S292-Q295 PolarHBondContact O-N 3.08Å; Q295-A298 PolarHBondContact O-N 3.45Å; Q295-D299 WeakPolarHBondContact O-CB 3.22Å; Q295-D299 VanDerWaalsContact O-CG 3.28Å; Q295-D299 PolarHBondContact O-N 2.94Å
296E53.1Low50.8Low59 Ų5990 Ų9028%0.27651%0.509SS..Hα-helixtrans-65-43.2172.2-65.3-162.7136.700111.4T289 K291 S292 I293 A298 D299 E300T289-E296 WeakPolarHBondContact CB-OE1 3.41Å; T289-E296 WeakPolarHBondContact CG2-OE1 3.22Å; T289-E296 PolarHBondContact OG1-OE1 3.24Å; T289-E296 PolarHBondContact OG1-OE2 3.38Å; K291-E296 HydrophobicContact CB-CG 3.71Å; K291-E296 HydrophobicContact CD-CG 4.28Å; S292-E296 PolarHBondContact O-N 3.04Å; S292-E296 VanDerWaalsContact O-N 3.15Å; I293-E296 PolarHBondContact O-N 2.94Å; E296-A298 VanDerWaalsContact C-N 3.28Å; E296-A298 PolarHBondContact O-N 2.92Å; E296-D299 PolarHBondContact O-N 3.24Å; E296-E300 WeakPolarHBondContact O-CB 3.47Å; E296-E300 WeakPolarHBondContact O-CG 3.32Å; E296-E300 PolarHBondContact O-N 3.25Å
297M53.8Low51.1Low52 Ų5290.7 Ų90.726%0.25651%0.507SS..Hα-helixtrans-61.8-33.9174-76.3-166-130.200113.3I293 A301 S313I293-M297 HydrophobicContact CG2-CE 3.49Å; I293-M297 VanDerWaalsContact CG2-CE 3.49Å; I293-M297 WeakPolarHBondContact O-CG 3.43Å; I293-M297 PolarHBondContact O-N 2.99Å; M297-A301 PolarHBondContact O-N 3.23Å; M297-S313 PolarHBondContact SD-OG 2.87Å; M297-S313 VanDerWaalsContact SD-OG 3.41Å
298A55.6Low51.9Low53 Ų5394.2 Ų94.244%0.43852%0.519SS..Hα-helixtrans-73.4-37.7176.600000112.1F294 Q295 E296 N302F294-A298 WeakPolarHBondContact O-CB 3.44Å; F294-A298 PolarHBondContact O-N 3.44Å; Q295-A298 PolarHBondContact O-N 3.45Å; E296-A298 VanDerWaalsContact C-N 3.28Å; E296-A298 PolarHBondContact O-N 2.92Å; A298-N302 PolarHBondContact O-ND2 3.15Å
299D53.6Low52.9Low63 Ų6391.4 Ų91.434%0.33750%0.495SS..Hα-helixtrans-69.6-39.6176.3-71.5-15.7000111K291 Q295 E296 A301 N302K291-D299 IonicContact NZ-OD2 3.83Å; K291-D299 PolarHBondContact NZ-OD2 3.26Å; Q295-D299 WeakPolarHBondContact O-CB 3.22Å; Q295-D299 VanDerWaalsContact O-CG 3.28Å; Q295-D299 PolarHBondContact O-N 2.94Å; E296-D299 PolarHBondContact O-N 3.24Å; D299-A301 VanDerWaalsContact C-N 3.29Å; D299-A301 PolarHBondContact O-N 3.44Å; D299-N302 PolarHBondContact O-N 2.94Å
300E52.1Low54Low99 Ų9991.3 Ų91.346%0.46350%0.5SS..Hα-helixtrans-69.4-22.1177.6-74.3-175.6172.600113.8E296 N302E296-E300 WeakPolarHBondContact O-CB 3.47Å; E296-E300 WeakPolarHBondContact O-CG 3.32Å; E296-E300 PolarHBondContact O-N 3.25Å; E300-N302 PolarHBondContact O-N 2.95Å
301A52.1Low55Low61 Ų6188 Ų8850%0.50448%0.477SS..THydrogen-bonded Turntrans-72.7-16.217500000113.2M297 D299M297-A301 PolarHBondContact O-N 3.23Å; D299-A301 VanDerWaalsContact C-N 3.29Å; D299-A301 PolarHBondContact O-N 3.44Å
302N56Low56.3Low136 Ų13687.2 Ų87.273%0.72748%0.48SS*.THydrogen-bonded Turntrans-89.8-8.9-178.9-72.2-39.3000114.1A298 D299 E300A298-N302 PolarHBondContact O-ND2 3.15Å; D299-N302 PolarHBondContact O-N 2.94Å; E300-N302 PolarHBondContact O-N 2.95Å
303D55.4Low57.2Low94 Ų9485.2 Ų85.250%0.50347%0.467SS..SBendtrans-79143.3173.9-73.3-28.6000110.4D305 G306D303-D305 PolarHBondContact O-N 3.4Å; D303-G306 VanDerWaalsContact O-CA 3.23Å; D303-G306 WeakPolarHBondContact O-CA 3.33Å; D303-G306 PolarHBondContact O-N 3.47Å
304E55Low58Low205 Ų20584.4 Ų84.496%0.95847%0.466SS*.THydrogen-bonded Turntrans-59.9-19.3-179.1-72.7-168.1152.100113.7G306E304-G306 PolarHBondContact O-N 2.9Å
305D57.4Low59Low109 Ų10985.3 Ų85.358%0.58347%0.474SS*.THydrogen-bonded Turntrans-78.91.1170.3-112.1-8.5000113.5D303 L307D303-D305 PolarHBondContact O-N 3.4Å; D305-L307 VanDerWaalsContact C-N 3.31Å; D305-L307 PolarHBondContact O-N 3.38Å
306G51.8Low60.2Low6 Ų683.7 Ų83.76%0.06247%0.471CS..Hα-helixtrans-66.3-23.4-16700000114.8D303 E304 A310D303-G306 VanDerWaalsContact O-CA 3.23Å; D303-G306 WeakPolarHBondContact O-CA 3.33Å; D303-G306 PolarHBondContact O-N 3.47Å; E304-G306 PolarHBondContact O-N 2.9Å; G306-A310 WeakPolarHBondContact O-CB 3.34Å; G306-A310 PolarHBondContact O-N 3.22Å
307L55.7Low61.2Low152 Ų15282.6 Ų82.680%0.79647%0.467SS*.Hα-helixtrans-66.9-44-179.9-83.3159.4000112.7D305 S311D305-L307 VanDerWaalsContact C-N 3.31Å; D305-L307 PolarHBondContact O-N 3.38Å; L307-S311 PolarHBondContact O-N 3.5Å
308N59Low62.1Low123 Ų12382.4 Ų82.466%0.65846%0.464SS*.Hα-helixtrans-73.9-36.9179-71.7-34.3000111.5S311 T312N308-S311 PolarHBondContact O-N 2.82Å; N308-T312 PolarHBondContact O-N 3.24Å; N308-T312 VanDerWaalsContact O-N 3.1Å; N308-T312 PolarHBondContact O-OG1 3.18Å
309K59.4Low63.3Low87 Ų8785.1 Ų85.138%0.37847%0.471SS..Hα-helixtrans-68.4-39.3176.3-69.1-178.3-176.2174.90112.5S311 T312 S313K309-S311 VanDerWaalsContact C-N 3.35Å; K309-S311 PolarHBondContact O-N 3.44Å; K309-T312 WeakPolarHBondContact CA-OG1 3.02Å; K309-T312 PolarHBondContact O-N 2.98Å; K309-T312 PolarHBondContact O-OG1 2.88Å; K309-S313 VanDerWaalsContact O-CB 3.3Å; K309-S313 WeakPolarHBondContact O-CB 3.35Å; K309-S313 PolarHBondContact O-N 3.25Å
310A60.7Low64.8Low55 Ų5585.8 Ų85.846%0.45547%0.474SS..Hα-helixtrans-64.3-39.4175.300000112.1G306 S314G306-A310 WeakPolarHBondContact O-CB 3.34Å; G306-A310 PolarHBondContact O-N 3.22Å; A310-S314 WeakPolarHBondContact O-CB 3.32Å; A310-S314 PolarHBondContact O-N 2.83Å
311S65.1Low66.2Low71 Ų7181.5 Ų81.550%0.49745%0.454SS..Hα-helixtrans-64.2-45.8176-1710000111.9L307 N308 K309 S314 L315L307-S311 PolarHBondContact O-N 3.5Å; N308-S311 PolarHBondContact O-N 2.82Å; K309-S311 VanDerWaalsContact C-N 3.35Å; K309-S311 PolarHBondContact O-N 3.44Å; S311-S314 WeakPolarHBondContact O-CB 3.39Å; S311-S314 PolarHBondContact O-N 2.91Å; S311-L315 PolarHBondContact O-N 3.09Å
312T72.5Confident67.6Low83 Ų8380.3 Ų80.351%0.50944%0.438SS..Hα-helixtrans-67.3-4417847.80000112.6N308 K309 S314 L315 V316N308-T312 PolarHBondContact O-N 3.24Å; N308-T312 VanDerWaalsContact O-N 3.1Å; N308-T312 PolarHBondContact O-OG1 3.18Å; K309-T312 WeakPolarHBondContact CA-OG1 3.02Å; K309-T312 PolarHBondContact O-N 2.98Å; K309-T312 PolarHBondContact O-OG1 2.88Å; T312-S314 VanDerWaalsContact C-N 3.34Å; T312-S314 PolarHBondContact O-N 3.48Å; T312-L315 WeakPolarHBondContact O-CB 3.4Å; T312-L315 PolarHBondContact O-N 3.05Å; T312-V316 WeakPolarHBondContact O-CG2 3.37Å; T312-V316 PolarHBondContact O-N 3.41Å
313S70.6Confident68.9Low35 Ų3576.4 Ų76.425%0.24542%0.421CS..Hα-helixtrans-60.3-42.6174.2175.80000111.9M297 K309 L315 V316 N317M297-S313 PolarHBondContact SD-OG 2.87Å; M297-S313 VanDerWaalsContact SD-OG 3.41Å; K309-S313 VanDerWaalsContact O-CB 3.3Å; K309-S313 WeakPolarHBondContact O-CB 3.35Å; K309-S313 PolarHBondContact O-N 3.25Å; S313-L315 PolarHBondContact O-N 3.44Å; S313-V316 PolarHBondContact O-N 3.25Å; S313-N317 WeakPolarHBondContact O-CB 3.45Å; S313-N317 PolarHBondContact O-N 3.47Å; S313-N317 PolarHBondContact O-ND2 2.94Å
314S70.8Confident70.2Confident41 Ų4173.1 Ų73.129%0.28740%0.404SS..Hα-helixtrans-58.3-47.6172.9-176.10000111A310 S311 T312 V316 N317 R318A310-S314 WeakPolarHBondContact O-CB 3.32Å; A310-S314 PolarHBondContact O-N 2.83Å; S311-S314 WeakPolarHBondContact O-CB 3.39Å; S311-S314 PolarHBondContact O-N 2.91Å; T312-S314 VanDerWaalsContact C-N 3.34Å; T312-S314 PolarHBondContact O-N 3.48Å; S314-V316 PolarHBondContact O-N 3.37Å; S314-N317 PolarHBondContact O-N 3.1Å; S314-R318 WeakPolarHBondContact O-CB 3.27Å; S314-R318 WeakPolarHBondContact O-CD 3.17Å; S314-R318 WeakPolarHBondContact O-CG 3.41Å; S314-R318 PolarHBondContact O-N 3.25Å; S314-R318 VanDerWaalsContact O-N 3.08Å; S314-R318 PolarHBondContact OG-NE 3.1Å; S314-R318 PolarHBondContact OG-NH2 3.41Å
315L74.2Confident71.5Confident96 Ų9663.8 Ų63.850%0.50336%0.36SS..Hα-helixtrans-60-44.1177-165.282000112.6S311 T312 S313 R318 L319S311-L315 PolarHBondContact O-N 3.09Å; T312-L315 WeakPolarHBondContact O-CB 3.4Å; T312-L315 PolarHBondContact O-N 3.05Å; S313-L315 PolarHBondContact O-N 3.44Å; L315-R318 WeakPolarHBondContact O-CB 3.23Å; L315-R318 PolarHBondContact O-N 3.34Å; L315-L319 PolarHBondContact O-N 3.11Å
316V79.6Confident72.7Confident77 Ų7759.2 Ų59.247%0.46734%0.336SS..Hα-helixtrans-64.5-46.6179.7172.50000111.3T312 S313 S314 R318 L319 N320T312-V316 WeakPolarHBondContact O-CG2 3.37Å; T312-V316 PolarHBondContact O-N 3.41Å; S313-V316 PolarHBondContact O-N 3.25Å; S314-V316 PolarHBondContact O-N 3.37Å; V316-R318 PolarHBondContact O-N 3.38Å; V316-L319 PolarHBondContact O-N 3.22Å; V316-N320 WeakPolarHBondContact O-CB 3.3Å; V316-N320 PolarHBondContact O-N 3.41Å; V316-N320 PolarHBondContact O-ND2 3.02Å
317N75.3Confident74.1Confident36 Ų3664.5 Ų64.519%0.19336%0.361CS..Hα-helixtrans-58.6-36.7176.3-74.1-31.5000111.7F270 S313 S314 Y321F270-N317 HydrophobicContact CD1-CB 4.43Å; F270-N317 HydrophobicContact CE1-CB 3.96Å; S313-N317 WeakPolarHBondContact O-CB 3.45Å; S313-N317 PolarHBondContact O-N 3.47Å; S313-N317 PolarHBondContact O-ND2 2.94Å; S314-N317 PolarHBondContact O-N 3.1Å; N317-Y321 WeakPolarHBondContact O-CB 3.12Å; N317-Y321 PolarHBondContact O-N 3.41Å
318R73.3Confident75.2Confident48 Ų4860.9 Ų60.918%0.18134%0.339CS..Hα-helixtrans-71.3-42.5178.1-65.2166179-166.8-11112.7R247 S314 L315 V316 N320 Y321 H322R247-R318 VanDerWaalsContact NE-NE 3.16Å; R247-R318 VanDerWaalsContact NH2-CD 3.33Å; S314-R318 WeakPolarHBondContact O-CB 3.27Å; S314-R318 WeakPolarHBondContact O-CD 3.17Å; S314-R318 WeakPolarHBondContact O-CG 3.41Å; S314-R318 PolarHBondContact O-N 3.25Å; S314-R318 VanDerWaalsContact O-N 3.08Å; S314-R318 PolarHBondContact OG-NE 3.1Å; S314-R318 PolarHBondContact OG-NH2 3.41Å; L315-R318 WeakPolarHBondContact O-CB 3.23Å; L315-R318 PolarHBondContact O-N 3.34Å; V316-R318 PolarHBondContact O-N 3.38Å; R318-N320 VanDerWaalsContact C-N 3.31Å; R318-Y321 PolarHBondContact O-N 3.14Å; R318-H322 VanDerWaalsContact O-CB 3.31Å; R318-H322 WeakPolarHBondContact O-CB 3.35Å; R318-H322 PolarHBondContact O-N 2.92Å
319L80.8Confident76Confident111 Ų11155.1 Ų55.158%0.58131%0.309SS*.Hα-helixtrans-59.5-47.9174.9-172.676.7000109.6L315 V316 Y321 H322 S323L315-L319 PolarHBondContact O-N 3.11Å; V316-L319 PolarHBondContact O-N 3.22Å; L319-Y321 PolarHBondContact O-N 3.03Å; L319-H322 PolarHBondContact O-N 3.09Å; L319-S323 WeakPolarHBondContact O-CB 3.19Å; L319-S323 PolarHBondContact O-N 3.28Å; L319-S323 PolarHBondContact O-OG 3.22Å; L319-S323 VanDerWaalsContact O-OG 3.09Å
320N83.6Confident76.5Confident77 Ų7755 Ų5541%0.41231%0.309SS..Hα-helixtrans-62-43.5178.2-71.1-19.8000112.1F270 V316 R318 N324F270-N320 HydrophobicContact CE2-CB 3.89Å; F270-N320 HydrophobicContact CZ-CB 3.56Å; V316-N320 WeakPolarHBondContact O-CB 3.3Å; V316-N320 PolarHBondContact O-N 3.41Å; V316-N320 PolarHBondContact O-ND2 3.02Å; R318-N320 VanDerWaalsContact C-N 3.31Å; N320-N324 VanDerWaalsContact O-CB 3.32Å; N320-N324 WeakPolarHBondContact O-CB 3.48Å; N320-N324 PolarHBondContact O-N 2.9Å
321Y82.6Confident76.7Confident8 Ų854 Ų543%0.03131%0.305CS..Hα-helixtrans-60.5-50.9174.3-178.4-109.1000111.2D266 D269 F270 N317 R318 L319 S323 N324 Q325D266-Y321 HydrophobicContact CB-CD1 4.3Å; D266-Y321 HydrophobicContact CB-CE1 3.6Å; D266-Y321 WeakPolarHBondContact O-CE2 3.16Å; D266-Y321 PolarHBondContact OD1-OH 2.95Å; D269-Y321 HydrophobicContact CB-CE2 4.35Å; D269-Y321 WeakPolarHBondContact OD2-CE2 3.4Å; D269-Y321 PolarHBondContact OD2-OH 3.46Å; F270-Y321 HydrophobicContact CB-CD2 3.52Å; F270-Y321 HydrophobicContact CB-CE2 4.16Å; F270-Y321 HydrophobicContact CB-CG 4.23Å; F270-Y321 AromaticContact CD2-CD2 3.77Å; F270-Y321 HydrophobicContact CD2-CD2 3.77Å; F270-Y321 HydrophobicContact CD2-CG 4.3Å; F270-Y321 AromaticContact CG-CD2 3.96Å; F270-Y321 HydrophobicContact CG-CD2 3.96Å; F270-Y321 HydrophobicContact CG-CG 4.44Å; N317-Y321 WeakPolarHBondContact O-CB 3.12Å; N317-Y321 PolarHBondContact O-N 3.41Å; R318-Y321 PolarHBondContact O-N 3.14Å; L319-Y321 PolarHBondContact O-N 3.03Å; Y321-S323 PolarHBondContact O-N 3.17Å; Y321-N324 PolarHBondContact O-N 2.97Å; Y321-N324 VanDerWaalsContact O-N 3.15Å; Y321-Q325 HydrophobicContact CD1-CG 4.06Å; Y321-Q325 HydrophobicContact CD2-CG 4.16Å; Y321-Q325 HydrophobicContact CE1-CG 3.67Å; Y321-Q325 HydrophobicContact CE2-CG 3.83Å; Y321-Q325 HydrophobicContact CG-CG 4.3Å; Y321-Q325 VanDerWaalsContact O-CG 3.27Å; Y321-Q325 WeakPolarHBondContact O-CG 3.16Å; Y321-Q325 PolarHBondContact O-N 3.43Å
322H81.2Confident76.4Confident37 Ų3756.5 Ų56.517%0.17131%0.312CS..Hα-helixtrans-57.9-48.3179.6-179.876.5000111.6Y215 R318 L319 N324 Q325 V326Y215-H322 AromaticContact CZ-ND1 3.7Å; Y215-H322 PolarHBondContact OH-ND1 2.94Å; R318-H322 VanDerWaalsContact O-CB 3.31Å; R318-H322 WeakPolarHBondContact O-CB 3.35Å; R318-H322 PolarHBondContact O-N 2.92Å; L319-H322 PolarHBondContact O-N 3.09Å; H322-N324 VanDerWaalsContact C-N 3.32Å; H322-N324 PolarHBondContact O-N 2.69Å; H322-Q325 PolarHBondContact O-N 3.47Å; H322-V326 WeakPolarHBondContact O-CG2 3.44Å; H322-V326 PolarHBondContact O-N 2.85Å
323S83Confident75.5Confident54 Ų5454 Ų5438%0.37830%0.297SS..Hα-helixtrans-59.5-41.8176.2-64.20000112.1L319 Y321 V326 I327L319-S323 WeakPolarHBondContact O-CB 3.19Å; L319-S323 PolarHBondContact O-N 3.28Å; L319-S323 PolarHBondContact O-OG 3.22Å; L319-S323 VanDerWaalsContact O-OG 3.09Å; Y321-S323 PolarHBondContact O-N 3.17Å; S323-V326 PolarHBondContact O-N 3.03Å; S323-I327 WeakPolarHBondContact O-CD1 3.43Å; S323-I327 VanDerWaalsContact O-CG1 3.26Å; S323-I327 WeakPolarHBondContact O-CG1 3.34Å; S323-I327 PolarHBondContact O-N 2.96Å
324N82.1Confident74.3Confident25 Ų2556.7 Ų56.713%0.13432%0.315CS..Hα-helixtrans-64.8-42.3177-159.5-41.5000111.6Q273 N320 Y321 H322 V326 I327 K328Q273-N324 PolarHBondContact OE1-ND2 3.15Å; Q273-N324 PolarHBondContact OE1-OD1 3.47Å; N320-N324 VanDerWaalsContact O-CB 3.32Å; N320-N324 WeakPolarHBondContact O-CB 3.48Å; N320-N324 PolarHBondContact O-N 2.9Å; Y321-N324 PolarHBondContact O-N 2.97Å; Y321-N324 VanDerWaalsContact O-N 3.15Å; H322-N324 VanDerWaalsContact C-N 3.32Å; H322-N324 PolarHBondContact O-N 2.69Å; N324-V326 PolarHBondContact O-N 3.01Å; N324-I327 PolarHBondContact O-N 3.41Å; N324-K328 WeakPolarHBondContact O-CB 2.98Å; N324-K328 WeakPolarHBondContact O-CG 3.3Å; N324-K328 PolarHBondContact O-N 3.21Å; N324-K328 VanDerWaalsContact OD1-CE 3.26Å; N324-K328 WeakPolarHBondContact OD1-CE 3.38Å
325Q82.2Confident73Confident8 Ų858.2 Ų58.24%0.03733%0.331CS..Hα-helixtrans-65-40177.7-67.1-60.2103.500112.3T214 Y321 H322 K328 A329T214-Q325 HydrophobicContact CG2-CB 4.13Å; T214-Q325 VanDerWaalsContact O-CB 3.26Å; T214-Q325 WeakPolarHBondContact O-CB 3.46Å; T214-Q325 WeakPolarHBondContact O-CG 3.27Å; T214-Q325 PolarHBondContact O-NE2 2.98Å; Y321-Q325 HydrophobicContact CD1-CG 4.06Å; Y321-Q325 HydrophobicContact CD2-CG 4.16Å; Y321-Q325 HydrophobicContact CE1-CG 3.67Å; Y321-Q325 HydrophobicContact CE2-CG 3.83Å; Y321-Q325 HydrophobicContact CG-CG 4.3Å; Y321-Q325 VanDerWaalsContact O-CG 3.27Å; Y321-Q325 WeakPolarHBondContact O-CG 3.16Å; Y321-Q325 PolarHBondContact O-N 3.43Å; H322-Q325 PolarHBondContact O-N 3.47Å; Q325-K328 PolarHBondContact O-N 3.35Å; Q325-A329 WeakPolarHBondContact O-CB 3.4Å; Q325-A329 PolarHBondContact O-N 3.4Å
326V82.8Confident71.2Confident14 Ų1456.5 Ų56.59%0.08534%0.336CS..Hα-helixtrans-63.7-42.6173174.40000110.8V182 T214 H322 S323 N324 K328 A329 H330V182-V326 WeakPolarHBondContact O-CG1 3.37Å; T214-V326 HydrophobicContact CG2-CG2 4.18Å; H322-V326 WeakPolarHBondContact O-CG2 3.44Å; H322-V326 PolarHBondContact O-N 2.85Å; S323-V326 PolarHBondContact O-N 3.03Å; N324-V326 PolarHBondContact O-N 3.01Å; V326-K328 PolarHBondContact O-N 3.04Å; V326-A329 VanDerWaalsContact O-CB 3.22Å; V326-A329 WeakPolarHBondContact O-CB 3.41Å; V326-A329 PolarHBondContact O-N 3.34Å; V326-H330 PolarHBondContact O-CD2 2.88Å; V326-H330 PolarHBondContact O-N 3Å
327I81Confident69.2Low116 Ų11659 Ų5960%0.59536%0.357SS*.Hα-helixtrans-64-43175.9-68165.2000111.2S323 N324 A329 H330 G331S323-I327 WeakPolarHBondContact O-CD1 3.43Å; S323-I327 VanDerWaalsContact O-CG1 3.26Å; S323-I327 WeakPolarHBondContact O-CG1 3.34Å; S323-I327 PolarHBondContact O-N 2.96Å; N324-I327 PolarHBondContact O-N 3.41Å; I327-A329 VanDerWaalsContact C-N 3.3Å; I327-A329 PolarHBondContact O-N 3.44Å; I327-H330 WeakPolarHBondContact O-CB 3.26Å; I327-H330 PolarHBondContact O-N 3.37Å; I327-G331 PolarHBondContact O-N 3.03Å
328K80Confident67.1Low77 Ų7762.9 Ų62.934%0.33539%0.387SS..Hα-helixtrans-63.2-36.2175.3-77.1177.1172.1-167.70112.5Q273 N324 Q325 V326 H330 G331 L332Q273-K328 VanDerWaalsContact CG-NZ 3.34Å; Q273-K328 VanDerWaalsContact OE1-NZ 3.14Å; N324-K328 WeakPolarHBondContact O-CB 2.98Å; N324-K328 WeakPolarHBondContact O-CG 3.3Å; N324-K328 PolarHBondContact O-N 3.21Å; N324-K328 VanDerWaalsContact OD1-CE 3.26Å; N324-K328 WeakPolarHBondContact OD1-CE 3.38Å; Q325-K328 PolarHBondContact O-N 3.35Å; V326-K328 PolarHBondContact O-N 3.04Å; K328-H330 VanDerWaalsContact C-N 3.27Å; K328-H330 PolarHBondContact O-N 2.84Å; K328-G331 PolarHBondContact O-N 3.33Å; K328-G331 VanDerWaalsContact O-N 3.09Å; K328-L332 WeakPolarHBondContact O-CG 3.31Å; K328-L332 PolarHBondContact O-N 3.36Å
329A74.8Confident65.1Low1 Ų164.2 Ų64.21%0.00841%0.408CS..Hα-helixtrans-55-45.8173.200000110.7V182 L213 Q325 V326 I327 L332 T333V182-A329 HydrophobicContact CB-CB 4.32Å; V182-A329 HydrophobicContact CG2-CB 3.99Å; L213-A329 HydrophobicContact CB-CB 4.44Å; L213-A329 HydrophobicContact CD1-CB 4.35Å; L213-A329 HydrophobicContact CD2-CB 3.48Å; L213-A329 VanDerWaalsContact CD2-CB 3.48Å; L213-A329 HydrophobicContact CG-CB 3.42Å; L213-A329 VanDerWaalsContact CG-CB 3.42Å; Q325-A329 WeakPolarHBondContact O-CB 3.4Å; Q325-A329 PolarHBondContact O-N 3.4Å; V326-A329 VanDerWaalsContact O-CB 3.22Å; V326-A329 WeakPolarHBondContact O-CB 3.41Å; V326-A329 PolarHBondContact O-N 3.34Å; I327-A329 VanDerWaalsContact C-N 3.3Å; I327-A329 PolarHBondContact O-N 3.44Å; A329-L332 PolarHBondContact O-N 3.23Å; A329-T333 WeakPolarHBondContact O-CG2 3.28Å; A329-T333 PolarHBondContact O-N 3.38Å
330H70.7Confident62.7Low84 Ų8467.3 Ų67.339%0.38943%0.426SS..Hα-helixtrans-66.8-35.8174.4-66.4-74000113.3V182 V326 I327 K328 T333 S334V182-H330 PolarHBondContact O-NE2 3.11Å; V326-H330 PolarHBondContact O-CD2 2.88Å; V326-H330 PolarHBondContact O-N 3Å; I327-H330 WeakPolarHBondContact O-CB 3.26Å; I327-H330 PolarHBondContact O-N 3.37Å; K328-H330 VanDerWaalsContact C-N 3.27Å; K328-H330 PolarHBondContact O-N 2.84Å; H330-T333 PolarHBondContact O-N 2.92Å; H330-T333 PolarHBondContact O-OG1 3.11Å; H330-S334 PolarHBondContact O-N 2.98Å; H330-S334 VanDerWaalsContact O-N 3.1Å; H330-S334 PolarHBondContact O-OG 3.36Å
331G64.1Low60.3Low36 Ų3668.7 Ų68.737%0.37144%0.437SS..Hα-helixtrans-62.6-45.2175.800000112.4I327 K328 T333 S334 A335I327-G331 PolarHBondContact O-N 3.03Å; K328-G331 PolarHBondContact O-N 3.33Å; K328-G331 VanDerWaalsContact O-N 3.09Å; G331-T333 VanDerWaalsContact C-N 3.3Å; G331-T333 PolarHBondContact O-N 3.31Å; G331-S334 PolarHBondContact O-N 3.37Å; G331-S334 PolarHBondContact O-OG 3.42Å; G331-A335 PolarHBondContact O-N 3.45Å; G331-A335 VanDerWaalsContact O-N 3.1Å
332L60Low58Low122 Ų12274.1 Ų74.164%0.63947%0.47SS*.Hα-helixtrans-66.3-29.2178.1-71.8163.9000112.8L213 K328 A329L213-L332 HydrophobicContact CD1-CD1 4.07Å; K328-L332 WeakPolarHBondContact O-CG 3.31Å; K328-L332 PolarHBondContact O-N 3.36Å; A329-L332 PolarHBondContact O-N 3.23Å
333T52.2Low55.5Low31 Ų3177.6 Ų77.619%0.1950%0.496CS..Hα-helixtrans-79.1-28.217558.90000112.9K179 L213 A329 H330 G331K179-T333 HydrophobicContact CB-CG2 3.85Å; L213-T333 HydrophobicContact CD2-CG2 4.42Å; A329-T333 WeakPolarHBondContact O-CG2 3.28Å; A329-T333 PolarHBondContact O-N 3.38Å; H330-T333 PolarHBondContact O-N 2.92Å; H330-T333 PolarHBondContact O-OG1 3.11Å; G331-T333 VanDerWaalsContact C-N 3.3Å; G331-T333 PolarHBondContact O-N 3.31Å
334S46.9Very low53.1Low91 Ų9179.8 Ų79.864%0.63651%0.507SS*.Hα-helixtrans-80.2-28.8177.671.30000114.2H330 G331 G336H330-S334 PolarHBondContact O-N 2.98Å; H330-S334 VanDerWaalsContact O-N 3.1Å; H330-S334 PolarHBondContact O-OG 3.36Å; G331-S334 PolarHBondContact O-N 3.37Å; G331-S334 PolarHBondContact O-OG 3.42Å; S334-G336 PolarHBondContact O-N 2.95Å
335A43.1Very low50.9Low74 Ų7484.6 Ų84.661%0.61253%0.532SS*.SBendtrans-8271.3175.900000110.4G331 S337G331-A335 PolarHBondContact O-N 3.45Å; G331-A335 VanDerWaalsContact O-N 3.1Å; A335-S337 PolarHBondContact O-N 2.84Å
336G35.5Very low48.6Very low59 Ų5992.7 Ų92.761%0.60857%0.567SS**  trans-52.9129178.700000113.6S334 S338S334-G336 PolarHBondContact O-N 2.95Å; G336-S338 PolarHBondContact O-N 3.26Å
337S37.7Very low46.1Very low130 Ų13097 Ų9791%0.90960%0.604SS**SBendtrans56.523.5142.9-117.20000120A335A335-S337 PolarHBondContact O-N 2.84Å
338S32.1Very low43.7Very low117 Ų11799 Ų9982%0.81862%0.616SS**  trans-142.376.2171.3-77.10000111.8G336G336-S338 PolarHBondContact O-N 3.26Å
339A31.9Very low41.5Very low77 Ų77104.3 Ų104.364%0.63664%0.644SS**  trans164.2100.9140.700000109.9T341A339-T341 PolarHBondContact O-N 3.26Å
340D30.2Very low39.5Very low176 Ų176107.4 Ų107.494%0.94168%0.677SS**  trans-64.177.6144.8-88.7-32.8000107.4
341T31.4Very low37.6Very low106 Ų106110.9 Ų110.965%0.6570%0.698SS**  trans-157.193.3164.6-10.90000105.8A339 P343A339-T341 PolarHBondContact O-N 3.26Å; T341-P343 VanDerWaalsContact O-CD 3.26Å; T341-P343 WeakPolarHBondContact O-CD 3.48Å; T341-P343 VanDerWaalsContact O-N 3.09Å
342V35.2Very low36.3Very low121 Ų121118.8 Ų118.873%0.73373%0.725SS**  trans-46.9118.7157.5-173.70000105.7V344V342-V344 HydrophobicContact CB-CG2 4.34Å; V342-V344 HydrophobicContact CG1-CG2 3.79Å; V342-V344 PolarHBondContact O-N 2.91Å
343P29.6Very low35Very low110 Ų110124 Ų12471%0.71474%0.738SS**  trans-74.877.7169.730.6-28.7000106T341 L345T341-P343 VanDerWaalsContact O-CD 3.26Å; T341-P343 WeakPolarHBondContact O-CD 3.48Å; T341-P343 VanDerWaalsContact O-N 3.09Å; P343-L345 PolarHBondContact O-N 2.85Å
344V32.4Very low34.3Very low100 Ų100127.5 Ų127.561%0.60676%0.764SS**  trans-67.489.4152.31780000103.7V342 K346V342-V344 HydrophobicContact CB-CG2 4.34Å; V342-V344 HydrophobicContact CG1-CG2 3.79Å; V342-V344 PolarHBondContact O-N 2.91Å; V344-K346 HydrophobicContact CG1-CB 4.3Å; V344-K346 HydrophobicContact CG1-CD 4.25Å; V344-K346 HydrophobicContact CG1-CG 3.78Å; V344-K346 PolarHBondContact O-N 2.73Å
345L35.7Very low34.1Very low126 Ų126127.6 Ų127.666%0.6676%0.762SS**  trans-64.876161.3-70.8165.3000106.5P343 A347P343-L345 PolarHBondContact O-N 2.85Å; L345-A347 PolarHBondContact O-N 3.04Å
346K32.8Very low34.3Very low179 Ų179127.5 Ų127.578%0.77875%0.751SS**  trans-70.5115.8158-99.1175.7-178.7-176.50105.1V344 D348V344-K346 HydrophobicContact CG1-CB 4.3Å; V344-K346 HydrophobicContact CG1-CD 4.25Å; V344-K346 HydrophobicContact CG1-CG 3.78Å; V344-K346 PolarHBondContact O-N 2.73Å; K346-D348 PolarHBondContact O-N 3.43Å
347A30.2Very low34.9Very low103 Ų103128 Ų12885%0.85175%0.745SS**  trans-44.5107.3165.900000109.3L345L345-A347 PolarHBondContact O-N 3.04Å
348D32Very low35.4Very low159 Ų159130.4 Ų130.485%0.8574%0.739SS**  trans-127.3119.3154.9-142.1-3000107.1K346 G350K346-D348 PolarHBondContact O-N 3.43Å; D348-G350 PolarHBondContact O-N 3.28Å
349M33.2Very low36.3Very low188 Ų188131.5 Ų131.593%0.92673%0.729SS**  trans-68.6114.4-172.1-72.7-99.6-83.800109.5
350G32.6Very low37Very low67 Ų67134.1 Ų134.169%0.69172%0.723SS**  trans-174.287.6175.800000113.6D348 H352D348-G350 PolarHBondContact O-N 3.28Å; G350-H352 PolarHBondContact O-N 3.41Å
351N31.2Very low38.1Very low156 Ų156133.6 Ų133.683%0.83471%0.712SS**  trans16.4100.2154.2-82.3-3.4000117.9
352H35.9Very low39.4Very low202 Ų202134 Ų13494%0.93571%0.709SS**  trans-160.584140.5-89.1-60.4000109.7G350G350-H352 PolarHBondContact O-N 3.41Å
353Y33.7Very low40.6Very low232 Ų232132.7 Ų132.791%0.9170%0.702SS**  trans-86.3142165.6-131.1-98000108.8
354S36.9Very low42Very low105 Ų105132.9 Ų132.973%0.73470%0.696SS**  trans121.7135.4158.3-162.90000115.7
355P43.9Very low43.6Very low93 Ų93130.6 Ų130.660%0.60469%0.688SS**  cis-141.3165.9-41.238-22.3000113.1S357P355-S357 PolarHBondContact O-N 3.42Å
356N46.3Very low45.1Very low71 Ų71130.8 Ų130.838%0.3868%0.684SS.*THydrogen-bonded Turntrans-56.523.4173.2-103.7-25.5000117.2D280D280-N356 PolarHBondContact O-ND2 3.21Å; D280-N356 PolarHBondContact OD1-ND2 2.83Å
357S48.4Very low46.7Very low69 Ų69131.8 Ų131.848%0.48368%0.682SS.*Hα-helixtrans-72.2-30.4-175.265.10000114.3P355 K361P355-S357 PolarHBondContact O-N 3.42Å; S357-K361 PolarHBondContact O-N 2.74Å
358K48.8Very low48.6Very low181 Ų181130.8 Ų130.879%0.78766%0.662SS**Hα-helixtrans-75.8-36.9-176.7-72.1-176.6-179.8176.60113.3K361 L362K358-K361 PolarHBondContact O-N 3.47Å; K358-L362 PolarHBondContact O-N 3.39Å
359K49.1Very low50.3Low141 Ų141128.8 Ų128.861%0.61365%0.648SS**Hα-helixtrans-68.8-44.4179.4-75.8-177.2-179.7173.80111.7K361 L362 T363K359-K361 VanDerWaalsContact C-N 3.29Å; K359-K361 PolarHBondContact O-N 3.47Å; K359-L362 PolarHBondContact O-N 2.94Å; K359-T363 PolarHBondContact O-N 3.25Å; K359-T363 PolarHBondContact O-OG1 3.26Å; K359-T363 VanDerWaalsContact O-OG1 3.06Å
360R47.8Very low51.9Low132 Ų132123.4 Ų123.450%0.49863%0.628SS.*Hα-helixtrans-57.1-38.7175.5-94.6179.8165.3177.6-10.5113.1E283 L362 T363 L364E283-R360 IonicContact OE1-CZ 3.91Å; E283-R360 IonicContact OE1-NH2 2.84Å; E283-R360 PolarHBondContact OE1-NH2 3.42Å; E283-R360 IonicContact OE2-CZ 3.94Å; E283-R360 IonicContact OE2-NH2 2.79Å; E283-R360 PolarHBondContact OE2-NH2 3.45Å; R360-L362 VanDerWaalsContact C-N 3.33Å; R360-L362 PolarHBondContact O-N 3.4Å; R360-T363 PolarHBondContact O-OG1 2.83Å; R360-L364 WeakPolarHBondContact O-CB 3.17Å; R360-L364 PolarHBondContact O-N 2.93Å; R360-L364 VanDerWaalsContact O-N 3.12Å
361K54.1Low53.7Low165 Ų165125.2 Ų125.272%0.71762%0.619SS**Hα-helixtrans-64-37.1175.2-83.8-172.9175.1-174.90112.6S357 K358 K359 A365S357-K361 PolarHBondContact O-N 2.74Å; K358-K361 PolarHBondContact O-N 3.47Å; K359-K361 VanDerWaalsContact C-N 3.29Å; K359-K361 PolarHBondContact O-N 3.47Å; K361-A365 WeakPolarHBondContact O-CB 3.38Å; K361-A365 PolarHBondContact O-N 3.26Å
362L56.8Low55.6Low113 Ų113124.2 Ų124.259%0.59261%0.609SS**Hα-helixtrans-72.7-39.7-177.7-15381.2000112.2K358 K359 R360 K366K358-L362 PolarHBondContact O-N 3.39Å; K359-L362 PolarHBondContact O-N 2.94Å; R360-L362 VanDerWaalsContact C-N 3.33Å; R360-L362 PolarHBondContact O-N 3.4Å; L362-K366 WeakPolarHBondContact O-CG 3.06Å; L362-K366 PolarHBondContact O-N 3.31Å
363T60.4Low56.9Low94 Ų94120.1 Ų120.158%0.57759%0.593SS**Hα-helixtrans-69.2-40.6175.818.50000112.1K359 R360 R367K359-T363 PolarHBondContact O-N 3.25Å; K359-T363 PolarHBondContact O-OG1 3.26Å; K359-T363 VanDerWaalsContact O-OG1 3.06Å; R360-T363 PolarHBondContact O-OG1 2.83Å; T363-R367 PolarHBondContact O-N 3.44Å
364L59Low58.4Low114 Ų114114.9 Ų114.960%0.59758%0.58SS**Hα-helixtrans-65.6-42.1175.5-155.690.5000111.3R360 R367 L368R360-L364 WeakPolarHBondContact O-CB 3.17Å; R360-L364 PolarHBondContact O-N 2.93Å; R360-L364 VanDerWaalsContact O-N 3.12Å; L364-R367 PolarHBondContact O-N 3.08Å; L364-L368 HydrophobicContact CD2-CD1 3.99Å; L364-L368 HydrophobicContact CG-CD1 4.14Å; L364-L368 WeakPolarHBondContact O-CB 3.32Å; L364-L368 VanDerWaalsContact O-CG 3.3Å; L364-L368 WeakPolarHBondContact O-CG 3.41Å; L364-L368 PolarHBondContact O-N 3.29Å
365A67.3Low59.6Low52 Ų52117.1 Ų117.143%0.4358%0.577SS.*Hα-helixtrans-61.3-45.1177.200000112.2K361 R367 L368 E369K361-A365 WeakPolarHBondContact O-CB 3.38Å; K361-A365 PolarHBondContact O-N 3.26Å; A365-R367 VanDerWaalsContact C-N 3.32Å; A365-R367 PolarHBondContact O-N 3.47Å; A365-L368 PolarHBondContact O-N 2.85Å; A365-E369 WeakPolarHBondContact O-CB 3.39Å; A365-E369 PolarHBondContact O-N 2.96Å
366K66.3Low60.3Low131 Ų131118.5 Ų118.557%0.5758%0.579SS**Hα-helixtrans-62.4-38.7175.2-76.7-177.2175.3-173.40112.5L362 C370L362-K366 WeakPolarHBondContact O-CG 3.06Å; L362-K366 PolarHBondContact O-N 3.31Å; K366-C370 PolarHBondContact O-N 3.01Å; K366-C370 VanDerWaalsContact O-N 3.12Å; K366-C370 PolarHBondContact O-SG 2.99Å; K366-C370 VanDerWaalsContact O-SG 3.34Å
367R67Low60.8Low199 Ų199121.2 Ų121.275%0.75159%0.593SS**Hα-helixtrans-67.7-41.6177.7-133.6176.1-173163.91.4111.4T363 L364 A365 C370 E371T363-R367 PolarHBondContact O-N 3.44Å; L364-R367 PolarHBondContact O-N 3.08Å; A365-R367 VanDerWaalsContact C-N 3.32Å; A365-R367 PolarHBondContact O-N 3.47Å; R367-C370 PolarHBondContact O-N 3.26Å; R367-E371 WeakPolarHBondContact O-CB 3.31Å; R367-E371 PolarHBondContact O-N 3.32Å
368L69.6Low61Low82 Ų82125.6 Ų125.643%0.42961%0.612SS.*Hα-helixtrans-64.7-42.4175.6-74.3164000111.9L364 A365 C370 E371 E372L364-L368 HydrophobicContact CD2-CD1 3.99Å; L364-L368 HydrophobicContact CG-CD1 4.14Å; L364-L368 WeakPolarHBondContact O-CB 3.32Å; L364-L368 VanDerWaalsContact O-CG 3.3Å; L364-L368 WeakPolarHBondContact O-CG 3.41Å; L364-L368 PolarHBondContact O-N 3.29Å; A365-L368 PolarHBondContact O-N 2.85Å; L368-C370 PolarHBondContact O-N 3.41Å; L368-E371 PolarHBondContact O-N 3.31Å; L368-E372 WeakPolarHBondContact O-CB 3.41Å; L368-E372 WeakPolarHBondContact O-CG 3.35Å; L368-E372 PolarHBondContact O-N 3.1Å
369E68.8Low61Low118 Ų118127 Ų12755%0.55161%0.612SS**Hα-helixtrans-61-44.1175.9-173.3177.2-168.200111.6A365 E371 E372 L373A365-E369 WeakPolarHBondContact O-CB 3.39Å; A365-E369 PolarHBondContact O-N 2.96Å; E369-E371 VanDerWaalsContact C-N 3.34Å; E369-E371 PolarHBondContact O-N 3.45Å; E369-E372 PolarHBondContact O-N 2.88Å; E369-L373 HydrophobicContact CG-CD1 4.34Å; E369-L373 WeakPolarHBondContact O-CB 3.31Å; E369-L373 VanDerWaalsContact O-CG 3.29Å; E369-L373 WeakPolarHBondContact O-CG 3.45Å; E369-L373 PolarHBondContact O-N 2.75Å
370C67.1Low60.8Low75 Ų75129 Ų12951%0.50762%0.623SS.*Hα-helixtrans-63.9-38.1174.2-68.70000112.6K366 R367 L368 L374K366-C370 PolarHBondContact O-N 3.01Å; K366-C370 VanDerWaalsContact O-N 3.12Å; K366-C370 PolarHBondContact O-SG 2.99Å; K366-C370 VanDerWaalsContact O-SG 3.34Å; R367-C370 PolarHBondContact O-N 3.26Å; L368-C370 PolarHBondContact O-N 3.41Å; C370-L374 WeakPolarHBondContact O-CB 3.47Å; C370-L374 WeakPolarHBondContact O-CD1 3.26Å; C370-L374 VanDerWaalsContact O-CG 3.32Å; C370-L374 WeakPolarHBondContact O-CG 3.41Å; C370-L374 PolarHBondContact O-N 2.78Å
371E68.4Low60.7Low105 Ų105131.2 Ų131.249%0.49165%0.645SS.*Hα-helixtrans-72.1-34.1178.9-136.2-173154.400112.5R367 L368 E369 K375R367-E371 WeakPolarHBondContact O-CB 3.31Å; R367-E371 PolarHBondContact O-N 3.32Å; L368-E371 PolarHBondContact O-N 3.31Å; E369-E371 VanDerWaalsContact C-N 3.34Å; E369-E371 PolarHBondContact O-N 3.45Å; E371-K375 WeakPolarHBondContact O-CG 3.27Å; E371-K375 PolarHBondContact O-N 3.14Å; E371-K375 VanDerWaalsContact O-N 3.15Å
372E71.5Confident60.6Low135 Ų135126.7 Ų126.763%0.63165%0.645SS**Hα-helixtrans-69.5-39.7173.8-76.9-173.4173.800112L368 E369L368-E372 WeakPolarHBondContact O-CB 3.41Å; L368-E372 WeakPolarHBondContact O-CG 3.35Å; L368-E372 PolarHBondContact O-N 3.1Å; E369-E372 PolarHBondContact O-N 2.88Å
373L63.4Low60.3Low116 Ų116125.2 Ų125.261%0.60765%0.649SS**Hα-helixtrans-66.5-41.7174.7-69.3172.1000111.7E369 K375 N376E369-L373 HydrophobicContact CG-CD1 4.34Å; E369-L373 WeakPolarHBondContact O-CB 3.31Å; E369-L373 VanDerWaalsContact O-CG 3.29Å; E369-L373 WeakPolarHBondContact O-CG 3.45Å; E369-L373 PolarHBondContact O-N 2.75Å; L373-K375 PolarHBondContact O-N 3.4Å; L373-N376 PolarHBondContact O-N 2.86Å
374L65.1Low59.9Low121 Ų121126.6 Ų126.663%0.63466%0.658SS**Hα-helixtrans-68.5-29178.6-77.4165000113.9C370 N376C370-L374 WeakPolarHBondContact O-CB 3.47Å; C370-L374 WeakPolarHBondContact O-CD1 3.26Å; C370-L374 VanDerWaalsContact O-CG 3.32Å; C370-L374 WeakPolarHBondContact O-CG 3.41Å; C370-L374 PolarHBondContact O-N 2.78Å; L374-N376 VanDerWaalsContact C-N 3.26Å; L374-N376 PolarHBondContact O-N 3.32Å
375K63.1Low59.8Low152 Ų152126.9 Ų126.966%0.66166%0.664SS**Hα-helixtrans-69.6-24.2176-80.5174.5-175166.70113E371 L373E371-K375 WeakPolarHBondContact O-CG 3.27Å; E371-K375 PolarHBondContact O-N 3.14Å; E371-K375 VanDerWaalsContact O-N 3.15Å; L373-K375 PolarHBondContact O-N 3.4Å
376N57.6Low59Low123 Ų123133 Ų13366%0.65868%0.683SS**Hα-helixtrans-90.6-12.3-179.8-74-23.4000113.9L373 L374 N378 R379L373-N376 PolarHBondContact O-N 2.86Å; L374-N376 VanDerWaalsContact C-N 3.26Å; L374-N376 PolarHBondContact O-N 3.32Å; N376-N378 PolarHBondContact O-N 2.82Å; N376-N378 VanDerWaalsContact O-N 3.17Å; N376-R379 PolarHBondContact O-N 3.4Å
377D56.8Low58.6Low127 Ų127133.4 Ų133.468%0.67969%0.691SS**THydrogen-bonded Turntrans-74.6-6-170.8-138.718000114.6R379D377-R379 VanDerWaalsContact C-N 3.26Å; D377-R379 PolarHBondContact O-N 2.8Å
378N53.2Low58.3Low162 Ų162131.8 Ų131.887%0.86670%0.697SS**THydrogen-bonded Turntrans-84.59.5175.3-83-29.1000114.2N376N376-N378 PolarHBondContact O-N 2.82Å; N376-N378 VanDerWaalsContact O-N 3.17Å
379R47.7Very low58Low211 Ų211131.7 Ų131.780%0.79670%0.696SS**SBendtrans-112.6112.9174.5-72.8-176.4177.3178.3-0.3109.3N376 D377 D381N376-R379 PolarHBondContact O-N 3.4Å; D377-R379 VanDerWaalsContact C-N 3.26Å; D377-R379 PolarHBondContact O-N 2.8Å; R379-D381 PolarHBondContact O-N 3.01Å
380Q46.6Very low57.9Low182 Ų182131.3 Ų131.385%0.8571%0.713SS**  trans-14.4122.7167.6-73.7163.6-37.200113.8G382Q380-G382 PolarHBondContact O-N 3.44Å
381D45.2Very low57.8Low179 Ų179131.7 Ų131.796%0.95771%0.71SS**THydrogen-bonded Turntrans-27.8117.7163.1-80.5-43.1000111.7R379R379-D381 PolarHBondContact O-N 3.01Å
382G52Low57.4Low70 Ų70130.8 Ų130.872%0.72271%0.713SS**THydrogen-bonded Turntrans107.919.3170.800000117.4Q380 V384Q380-G382 PolarHBondContact O-N 3.44Å; G382-V384 PolarHBondContact O-N 2.77Å
383A50.6Low56.9Low81 Ų81127.3 Ų127.367%0.66970%0.704SS**  trans-65.292.7172.800000111.5V385A383-V385 PolarHBondContact O-N 2.98Å
384V51.2Low56.8Low124 Ų124129.1 Ų129.175%0.75271%0.709SS**  trans-50.8127.3164.6176.40000108.4G382 E386G382-V384 PolarHBondContact O-N 2.77Å; V384-E386 VanDerWaalsContact C-N 3.35Å; V384-E386 PolarHBondContact O-N 3.38Å
385V56.5Low56.3Low120 Ų120130.2 Ų130.273%0.72771%0.709SS**  trans-67.995.8168.5179.80000107.2A383 L387A383-V385 PolarHBondContact O-N 2.98Å; V385-L387 HydrophobicContact CG1-CD2 4.23Å; V385-L387 HydrophobicContact CG1-CG 4.31Å; V385-L387 PolarHBondContact O-N 2.94Å
386E52.4Low55.5Low180 Ų180129.4 Ų129.484%0.84171%0.708SS**  trans-67.297.2168.6-79.6-174.5162.600108.9V384 N388V384-E386 VanDerWaalsContact C-N 3.35Å; V384-E386 PolarHBondContact O-N 3.38Å; E386-N388 PolarHBondContact O-N 2.76Å; E386-N388 VanDerWaalsContact O-N 3.11Å
387L57.3Low55Low139 Ų139127.6 Ų127.673%0.72871%0.705SS**  trans-71.2100.7168.2-71171.7000108.4V385 I389V385-L387 HydrophobicContact CG1-CD2 4.23Å; V385-L387 HydrophobicContact CG1-CG 4.31Å; V385-L387 PolarHBondContact O-N 2.94Å; L387-I389 HydrophobicContact CB-CG1 4.39Å; L387-I389 PolarHBondContact O-N 2.75Å
388N60.1Low54.6Low166 Ų166129.9 Ų129.989%0.88871%0.705SS**  trans-73.881.1173.3-134.2-14.2000108.7E386 A390E386-N388 PolarHBondContact O-N 2.76Å; E386-N388 VanDerWaalsContact O-N 3.11Å; N388-A390 PolarHBondContact O-N 2.83Å
389I64.2Low54Low79 Ų79125.9 Ų125.941%0.40570%0.695SS.*  trans-68.2113178.1-64.2155.2000107.9L387 D391 F395L387-I389 HydrophobicContact CB-CG1 4.39Å; L387-I389 PolarHBondContact O-N 2.75Å; I389-D391 WeakPolarHBondContact CG2-O 3.3Å; I389-D391 PolarHBondContact O-N 2.84Å; I389-D391 VanDerWaalsContact O-N 3.14Å; I389-F395 HydrophobicContact CB-CE2 4.39Å; I389-F395 HydrophobicContact CD1-CD2 3.85Å; I389-F395 HydrophobicContact CD1-CE1 4.33Å; I389-F395 HydrophobicContact CD1-CE2 3.42Å; I389-F395 VanDerWaalsContact CD1-CE2 3.42Å; I389-F395 HydrophobicContact CD1-CG 4.47Å; I389-F395 HydrophobicContact CD1-CZ 3.68Å; I389-F395 HydrophobicContact CG1-CE2 3.92Å; I389-F395 HydrophobicContact CG1-CZ 4.41Å; I389-F395 HydrophobicContact CG2-CD2 3.8Å; I389-F395 HydrophobicContact CG2-CE2 3.63Å
390A66.5Low53.5Low110 Ų110120.3 Ų120.391%0.90969%0.694SS**SBendtrans-61.2-22.2-174.300000114.4N388N388-A390 PolarHBondContact O-N 2.83Å
391D63.7Low53.2Low84 Ų84120.9 Ų120.945%0.44970%0.696SS.*  trans-140.396.7177-167.1-4.2000110.6I389 S393 H394I389-D391 WeakPolarHBondContact CG2-O 3.3Å; I389-D391 PolarHBondContact O-N 2.84Å; I389-D391 VanDerWaalsContact O-N 3.14Å; D391-S393 PolarHBondContact O-N 3.23Å; D391-S393 VanDerWaalsContact OD1-CB 3.27Å; D391-S393 WeakPolarHBondContact OD1-CB 3.44Å; D391-S393 PolarHBondContact OD1-N 3.03Å; D391-S393 VanDerWaalsContact OD1-N 3.17Å; D391-S393 PolarHBondContact OD1-OG 2.88Å; D391-S393 PolarHBondContact OD2-OG 3.38Å; D391-S393 VanDerWaalsContact OD2-OG 3.11Å; D391-H394 PolarHBondContact O-N 3.01Å
392P61.2Low52.7Low85 Ų85116.2 Ų116.255%0.55269%0.69SS**G310 helixtrans-67.7-11.917926-31.6000112.9H394 F395 Q396P392-H394 PolarHBondContact O-N 3.43Å; P392-F395 PolarHBondContact O-N 3.31Å; P392-Q396 PolarHBondContact O-N 3.08Å
393S61.4Low52Low62 Ų62116.9 Ų116.943%0.43468%0.684SS.*G310 helixtrans-64.8-24.1177.470.80000112.7D391 F395 Q396D391-S393 PolarHBondContact O-N 3.23Å; D391-S393 VanDerWaalsContact OD1-CB 3.27Å; D391-S393 WeakPolarHBondContact OD1-CB 3.44Å; D391-S393 PolarHBondContact OD1-N 3.03Å; D391-S393 VanDerWaalsContact OD1-N 3.17Å; D391-S393 PolarHBondContact OD1-OG 2.88Å; D391-S393 PolarHBondContact OD2-OG 3.38Å; D391-S393 VanDerWaalsContact OD2-OG 3.11Å; S393-F395 PolarHBondContact O-N 3.04Å; S393-Q396 PolarHBondContact O-N 3.47Å
394H59.7Low51.6Low154 Ų154118.8 Ų118.871%0.71369%0.692SS**G310 helixtrans-72.2-15.8173.6-122.6-65.1000113.5D391 P392D391-H394 PolarHBondContact O-N 3.01Å; P392-H394 PolarHBondContact O-N 3.43Å
395F55.1Low51.2Low145 Ų145118.3 Ų118.364%0.63669%0.686SS**THydrogen-bonded Turntrans-100.7-10.2175.8-77.5-92.6000113.1I389 P392 S393 S397I389-F395 HydrophobicContact CB-CE2 4.39Å; I389-F395 HydrophobicContact CD1-CD2 3.85Å; I389-F395 HydrophobicContact CD1-CE1 4.33Å; I389-F395 HydrophobicContact CD1-CE2 3.42Å; I389-F395 VanDerWaalsContact CD1-CE2 3.42Å; I389-F395 HydrophobicContact CD1-CG 4.47Å; I389-F395 HydrophobicContact CD1-CZ 3.68Å; I389-F395 HydrophobicContact CG1-CE2 3.92Å; I389-F395 HydrophobicContact CG1-CZ 4.41Å; I389-F395 HydrophobicContact CG2-CD2 3.8Å; I389-F395 HydrophobicContact CG2-CE2 3.63Å; P392-F395 PolarHBondContact O-N 3.31Å; S393-F395 PolarHBondContact O-N 3.04Å; F395-S397 VanDerWaalsContact C-N 3.3Å; F395-S397 PolarHBondContact O-N 2.49Å
396Q47.5Very low50.3Low134 Ų134119.7 Ų119.763%0.62668%0.682SS**THydrogen-bonded Turntrans-78.4-3.2-178.5-93.5174.8-20.500114.9P392 S393 Y398P392-Q396 PolarHBondContact O-N 3.08Å; S393-Q396 PolarHBondContact O-N 3.47Å; Q396-Y398 PolarHBondContact O-N 3.4Å
397S46.3Very low49.9Very low86 Ų86114.3 Ų114.360%0.60166%0.662SS**THydrogen-bonded Turntrans-86.28.3-17472.20000116.1F395F395-S397 VanDerWaalsContact C-N 3.3Å; F395-S397 PolarHBondContact O-N 2.49Å
398Y49.1Very low49.3Very low175 Ų175115.5 Ų115.569%0.68666%0.663SS**SBendtrans-133.4-7.3176.8-79-65000116.6Q396 W414Q396-Y398 PolarHBondContact O-N 3.4Å; Y398-W414 AromaticContact CD1-CE2 3.84Å; Y398-W414 HydrophobicContact CD1-CH2 4.36Å; Y398-W414 AromaticContact CD1-CZ2 3.35Å; Y398-W414 HydrophobicContact CD1-CZ2 3.35Å; Y398-W414 AromaticContact CD1-NE1 3.86Å; Y398-W414 HydrophobicContact CD2-CH2 4.44Å; Y398-W414 HydrophobicContact CD2-CZ2 4.08Å; Y398-W414 AromaticContact CE1-CE2 3.77Å; Y398-W414 HydrophobicContact CE1-CH2 4.39Å; Y398-W414 AromaticContact CE1-CZ2 3.26Å; Y398-W414 HydrophobicContact CE1-CZ2 3.26Å; Y398-W414 AromaticContact CE1-NE1 3.71Å; Y398-W414 HydrophobicContact CE2-CH2 4.4Å; Y398-W414 AromaticContact CE2-CZ2 3.95Å; Y398-W414 HydrophobicContact CE2-CZ2 3.95Å; Y398-W414 HydrophobicContact CG-CH2 4.39Å; Y398-W414 AromaticContact CG-CZ2 3.79Å; Y398-W414 HydrophobicContact CG-CZ2 3.79Å; Y398-W414 AromaticContact CZ-CZ2 3.53Å
399A40.2Very low48.9Very low78 Ų78110.8 Ų110.865%0.64565%0.647SS**SBendtrans-141.9112.1176.500000110
400A36.8Very low48Very low94 Ų94110.7 Ų110.778%0.77765%0.648SS**  trans76.488.6164.100000118.4
401E39.5Very low46.8Very low194 Ų194111 Ų11191%0.90763%0.632SS**SBend-133.4109.8125.5-77.8-165.9161.800108.6
402G35.3Very low46.1Very low80 Ų80110.7 Ų110.783%0.82563%0.633SS**  trans39.898.1163.800000118.6
403S37.8Very low45.3Very low85 Ų85115.7 Ų115.759%0.59464%0.641SS**  trans-165126.9138.1-160.90000111D405S403-D405 PolarHBondContact O-N 3.17Å; S403-D405 PolarHBondContact OG-N 3.07Å
404S41.2Very low44.2Very low121 Ų121120.6 Ų120.685%0.84665%0.65SS**SBendtrans-62.921.2162.343.20000114
405D42.7Very low43.4Very low114 Ų114117.2 Ų117.261%0.6164%0.64SS**  trans-132.752.1-178.9-69.8-35.8000111.3S403 T407S403-D405 PolarHBondContact O-N 3.17Å; S403-D405 PolarHBondContact OG-N 3.07Å; D405-T407 PolarHBondContact O-N 3.49Å
406F39.1Very low42.7Very low149 Ų149116.1 Ų116.165%0.65464%0.641SS**  trans-70.788.4162-168.9-95.3000107.8M411F406-M411 HydrophobicContact CE1-CB 3.69Å; F406-M411 HydrophobicContact CE1-CG 3.6Å; F406-M411 HydrophobicContact CE1-SD 3.85Å; F406-M411 HydrophobicContact CZ-CB 3.98Å; F406-M411 HydrophobicContact CZ-CG 3.88Å
407T43.9Very low42.2Very low67 Ų67117.7 Ų117.741%0.41165%0.653SS.*  trans-70.4142.4178.2660000109.9D405 A409 D410D405-T407 PolarHBondContact O-N 3.49Å; T407-A409 PolarHBondContact O-N 2.79Å; T407-D410 PolarHBondContact O-N 3.34Å; T407-D410 PolarHBondContact OG1-OD2 3.33Å
408E44.6Very low41.7Very low163 Ų163115.9 Ų115.976%0.76265%0.648SS**Hα-helixtrans-50.1-26.9173.4-170.3171.9-173.200112.4D410 M411 V412E408-D410 PolarHBondContact O-N 2.92Å; E408-M411 WeakPolarHBondContact O-CB 3.48Å; E408-M411 PolarHBondContact O-N 2.91Å; E408-V412 WeakPolarHBondContact O-CG2 3.09Å; E408-V412 PolarHBondContact O-N 2.92Å
409A51.4Low41.2Very low67 Ų67114.4 Ų114.455%0.55465%0.645SS**Hα-helixtrans-65.3-31.6176.100000114.2T407 R413T407-A409 PolarHBondContact O-N 2.79Å; A409-R413 PolarHBondContact O-N 3.35Å
410D45.5Very low41.5Very low78 Ų78114.7 Ų114.742%0.41764%0.636SS.*Hα-helixtrans-80.8-28.3178.6-69.8-45.5000112T407 E408 V412 R413T407-D410 PolarHBondContact O-N 3.34Å; T407-D410 PolarHBondContact OG1-OD2 3.33Å; E408-D410 PolarHBondContact O-N 2.92Å; D410-V412 VanDerWaalsContact C-N 3.33Å; D410-R413 PolarHBondContact O-N 2.69Å
411M40.3Very low41.8Very low116 Ų116117.8 Ų117.857%0.57163%0.634SS**Hα-helixtrans-65.2-37.7170.7-140.5173.774.400111.5F406 E408 R413 T415F406-M411 HydrophobicContact CE1-CB 3.69Å; F406-M411 HydrophobicContact CE1-CG 3.6Å; F406-M411 HydrophobicContact CE1-SD 3.85Å; F406-M411 HydrophobicContact CZ-CB 3.98Å; F406-M411 HydrophobicContact CZ-CG 3.88Å; E408-M411 WeakPolarHBondContact O-CB 3.48Å; E408-M411 PolarHBondContact O-N 2.91Å; M411-R413 VanDerWaalsContact C-N 3.29Å; M411-R413 PolarHBondContact O-N 3.43Å; M411-T415 PolarHBondContact O-N 3.24Å; M411-T415 PolarHBondContact O-OG1 2.91Å
412V50.3Low42.4Very low78 Ų78110.6 Ų110.647%0.47361%0.605SS.*Hα-helixtrans-68.8-26.2174.2173.50000112E408 D410 T415 N416E408-V412 WeakPolarHBondContact O-CG2 3.09Å; E408-V412 PolarHBondContact O-N 2.92Å; D410-V412 VanDerWaalsContact C-N 3.33Å; V412-T415 WeakPolarHBondContact CA-OG1 3.2Å; V412-T415 PolarHBondContact O-OG1 3.31Å; V412-T415 VanDerWaalsContact O-OG1 3.06Å; V412-N416 PolarHBondContact O-ND2 3.4Å
413R43Very low43Very low189 Ų189109.3 Ų109.371%0.71359%0.587SS**Hα-helixtrans-76.4-26.9-177.9-152175.6-178.2-145-0.6113.1A409 D410 M411A409-R413 PolarHBondContact O-N 3.35Å; D410-R413 PolarHBondContact O-N 2.69Å; M411-R413 VanDerWaalsContact C-N 3.29Å; M411-R413 PolarHBondContact O-N 3.43Å
414W39.5Very low43.5Very low166 Ų166106.5 Ų106.563%0.62957%0.569SS**Hα-helixtrans-87.2-27.9178-97.785.8000114.1Y398 N416Y398-W414 AromaticContact CD1-CE2 3.84Å; Y398-W414 HydrophobicContact CD1-CH2 4.36Å; Y398-W414 AromaticContact CD1-CZ2 3.35Å; Y398-W414 HydrophobicContact CD1-CZ2 3.35Å; Y398-W414 AromaticContact CD1-NE1 3.86Å; Y398-W414 HydrophobicContact CD2-CH2 4.44Å; Y398-W414 HydrophobicContact CD2-CZ2 4.08Å; Y398-W414 AromaticContact CE1-CE2 3.77Å; Y398-W414 HydrophobicContact CE1-CH2 4.39Å; Y398-W414 AromaticContact CE1-CZ2 3.26Å; Y398-W414 HydrophobicContact CE1-CZ2 3.26Å; Y398-W414 AromaticContact CE1-NE1 3.71Å; Y398-W414 HydrophobicContact CE2-CH2 4.4Å; Y398-W414 AromaticContact CE2-CZ2 3.95Å; Y398-W414 HydrophobicContact CE2-CZ2 3.95Å; Y398-W414 HydrophobicContact CG-CH2 4.39Å; Y398-W414 AromaticContact CG-CZ2 3.79Å; Y398-W414 HydrophobicContact CG-CZ2 3.79Å; Y398-W414 AromaticContact CZ-CZ2 3.53Å; W414-N416 VanDerWaalsContact C-N 3.26Å; W414-N416 PolarHBondContact O-N 2.92Å
415T43Very low43.7Very low83 Ų83106.8 Ų106.851%0.50956%0.555SS.*Hα-helixtrans-70.8-20.9173.646.60000113M411 V412 L417M411-T415 PolarHBondContact O-N 3.24Å; M411-T415 PolarHBondContact O-OG1 2.91Å; V412-T415 WeakPolarHBondContact CA-OG1 3.2Å; V412-T415 PolarHBondContact O-OG1 3.31Å; V412-T415 VanDerWaalsContact O-OG1 3.06Å; T415-L417 VanDerWaalsContact C-N 3.26Å; T415-L417 PolarHBondContact O-N 3.17Å; T415-L417 VanDerWaalsContact O-N 3.16Å
416N39.8Very low44Very low122 Ų122104.5 Ų104.565%0.65254%0.543SS*.THydrogen-bonded Turntrans-76.66.1-176.5-82.7-43.8000116.2V412 W414V412-N416 PolarHBondContact O-ND2 3.4Å; W414-N416 VanDerWaalsContact C-N 3.26Å; W414-N416 PolarHBondContact O-N 2.92Å
417L37.6Very low44.7Very low166 Ų16699.9 Ų99.987%0.86953%0.527SS*.THydrogen-bonded Turntrans-118.3-4.8178.9-85.7154.7000114.2T415T415-L417 VanDerWaalsContact C-N 3.26Å; T415-L417 PolarHBondContact O-N 3.17Å; T415-L417 VanDerWaalsContact O-N 3.16Å
418G35.5Very low45Very low49 Ų4999.8 Ų99.851%0.50552%0.524SS..SBendtrans-104.1132.9171.200000110.3D420G418-D420 PolarHBondContact O-N 2.83Å
419F37.4Very low45.2Very low144 Ų14495.9 Ų95.963%0.63251%0.507SS*.  trans-6188163.1-98.8-96000108.5E421 W471F419-E421 PolarHBondContact O-N 3.46Å; F419-W471 HydrophobicContact CE1-CB 4.19Å; F419-W471 AromaticContact CE1-CD1 3.42Å; F419-W471 VanDerWaalsContact CE1-CD1 3.42Å; F419-W471 AromaticContact CE1-CD2 3.88Å; F419-W471 HydrophobicContact CE1-CD2 3.88Å; F419-W471 AromaticContact CE1-CE2 3.92Å; F419-W471 AromaticContact CE1-CG 3.6Å; F419-W471 HydrophobicContact CE1-CG 3.6Å; F419-W471 AromaticContact CE1-NE1 3.67Å; F419-W471 HydrophobicContact CE2-CD2 4.28Å; F419-W471 HydrophobicContact CE2-CE3 4.2Å; F419-W471 HydrophobicContact CE2-CZ3 4.43Å; F419-W471 HydrophobicContact CZ-CB 4.13Å; F419-W471 AromaticContact CZ-CD1 3.68Å; F419-W471 AromaticContact CZ-CD2 3.27Å; F419-W471 HydrophobicContact CZ-CD2 3.27Å; F419-W471 AromaticContact CZ-CE2 3.45Å; F419-W471 VanDerWaalsContact CZ-CE2 3.45Å; F419-W471 AromaticContact CZ-CE3 3.6Å; F419-W471 HydrophobicContact CZ-CE3 3.6Å; F419-W471 AromaticContact CZ-CG 3.46Å; F419-W471 HydrophobicContact CZ-CG 3.46Å; F419-W471 VanDerWaalsContact CZ-CG 3.46Å; F419-W471 HydrophobicContact CZ-CH2 4.21Å; F419-W471 AromaticContact CZ-CZ2 3.96Å; F419-W471 HydrophobicContact CZ-CZ2 3.96Å; F419-W471 HydrophobicContact CZ-CZ3 4.03Å; F419-W471 AromaticContact CZ-NE1 3.71Å
420D47.2Very low45.2Very low83 Ų8399.9 Ų99.944%0.44451%0.512SS..  trans-87.488178.7-152.418.7000108.1G418 S422 A423G418-D420 PolarHBondContact O-N 2.83Å; D420-S422 PolarHBondContact O-N 3.41Å; D420-S422 WeakPolarHBondContact OD1-CB 2.99Å; D420-S422 PolarHBondContact OD1-N 2.94Å; D420-S422 WeakPolarHBondContact OD2-CB 3.34Å; D420-A423 HydrophobicContact CB-CB 4.32Å; D420-A423 PolarHBondContact O-N 3.18Å
421E43.8Very low45.5Very low159 Ų159100.3 Ų100.374%0.74351%0.513SS*.Hα-helixtrans-49.6-21.8158.3-73.8-177.9149.700110.5F419F419-E421 PolarHBondContact O-N 3.46Å
422S51.6Low45.7Very low43 Ų43100.5 Ų100.530%0.30151%0.512SS..Hα-helixtrans-73-18.5173.2-144.80000114.6D420 F425 N426D420-S422 PolarHBondContact O-N 3.41Å; D420-S422 WeakPolarHBondContact OD1-CB 2.99Å; D420-S422 PolarHBondContact OD1-N 2.94Å; D420-S422 WeakPolarHBondContact OD2-CB 3.34Å; S422-F425 CarbonylContact O-C 3.54Å; S422-F425 PolarHBondContact O-N 2.88Å; S422-N426 WeakPolarHBondContact CB-ND2 3.39Å; S422-N426 WeakPolarHBondContact O-CA 3.45Å; S422-N426 WeakPolarHBondContact O-CB 3.48Å; S422-N426 PolarHBondContact O-N 3.05Å; S422-N426 PolarHBondContact O-ND2 2.96Å; S422-N426 PolarHBondContact OG-ND2 3.15Å
423A47.6Very low45.5Very low54 Ų54100.7 Ų100.745%0.44652%0.516SS..Hα-helixtrans-67.1-47.3-178.200000111.9D420 N426 T427D420-A423 HydrophobicContact CB-CB 4.32Å; D420-A423 PolarHBondContact O-N 3.18Å; A423-N426 PolarHBondContact O-N 3.3Å; A423-T427 PolarHBondContact O-N 3.5Å; A423-T427 PolarHBondContact O-OG1 3.18Å; A423-T427 VanDerWaalsContact O-OG1 3.06Å
424A49.1Very low45.6Very low25 Ų2593.8 Ų93.821%0.20750%0.499CS..Hα-helixtrans-64.6-41.317200000112.1N426 T427 I428 H460A424-N426 VanDerWaalsContact C-N 3.32Å; A424-N426 PolarHBondContact O-N 3.2Å; A424-T427 PolarHBondContact O-N 2.93Å; A424-I428 WeakPolarHBondContact O-CB 3.23Å; A424-I428 VanDerWaalsContact O-CG1 3.25Å; A424-I428 WeakPolarHBondContact O-CG1 3.5Å; A424-I428 PolarHBondContact O-N 3.09Å; A424-H460 WeakPolarHBondContact CB-CE1 3.42Å; A424-H460 WeakPolarHBondContact CB-NE2 3.46Å
425F45.6Very low45.9Very low127 Ų12793 Ų9356%0.55750%0.503SS*.Hα-helixtrans-66.9-33178-158.6-101.4000112S422 I428 L429S422-F425 CarbonylContact O-C 3.54Å; S422-F425 PolarHBondContact O-N 2.88Å; F425-I428 CarbonylContact O-C 3.57Å; F425-I428 PolarHBondContact O-N 3.33Å; F425-L429 HydrophobicContact CD1-CD1 3.41Å; F425-L429 VanDerWaalsContact CD1-CD1 3.41Å; F425-L429 HydrophobicContact CE1-CD1 3.13Å; F425-L429 HydrophobicContact CG-CD1 4.45Å; F425-L429 HydrophobicContact CZ-CD1 4Å; F425-L429 WeakPolarHBondContact O-CA 3.32Å; F425-L429 VanDerWaalsContact O-CB 3.26Å; F425-L429 WeakPolarHBondContact O-CB 3.46Å; F425-L429 PolarHBondContact O-N 3.07Å
426N48.1Very low46Very low67 Ų6796.8 Ų96.836%0.35852%0.52SS..Hα-helixtrans-78.8-31.1177-76.1-40.7000111.6S422 A423 A424 K430S422-N426 WeakPolarHBondContact CB-ND2 3.39Å; S422-N426 WeakPolarHBondContact O-CA 3.45Å; S422-N426 WeakPolarHBondContact O-CB 3.48Å; S422-N426 PolarHBondContact O-N 3.05Å; S422-N426 PolarHBondContact O-ND2 2.96Å; S422-N426 PolarHBondContact OG-ND2 3.15Å; A423-N426 PolarHBondContact O-N 3.3Å; A424-N426 VanDerWaalsContact C-N 3.32Å; A424-N426 PolarHBondContact O-N 3.2Å; N426-K430 WeakPolarHBondContact O-CB 3.44Å; N426-K430 WeakPolarHBondContact O-CG 3.21Å; N426-K430 PolarHBondContact O-N 3.47Å
427T53.7Low46.1Very low52 Ų5299.7 Ų99.732%0.31953%0.527SS..Hα-helixtrans-65.2-45.4167.7-58.40000109.7A423 A424 K430 I431A423-T427 PolarHBondContact O-N 3.5Å; A423-T427 PolarHBondContact O-OG1 3.18Å; A423-T427 VanDerWaalsContact O-OG1 3.06Å; A424-T427 PolarHBondContact O-N 2.93Å; T427-K430 PolarHBondContact O-N 3.3Å; T427-I431 HydrophobicContact CG2-CD1 4.31Å; T427-I431 WeakPolarHBondContact O-CD1 3.47Å; T427-I431 VanDerWaalsContact O-CG1 3.23Å; T427-I431 WeakPolarHBondContact O-CG1 3.29Å; T427-I431 PolarHBondContact O-N 3.25Å
428I51.2Low46.2Very low65 Ų6598.3 Ų98.333%0.33352%0.52SS..Hα-helixtrans-63.1-44.6173.5-67.3167.8000110.7A424 F425 K430 I431 F432A424-I428 WeakPolarHBondContact O-CB 3.23Å; A424-I428 VanDerWaalsContact O-CG1 3.25Å; A424-I428 WeakPolarHBondContact O-CG1 3.5Å; A424-I428 PolarHBondContact O-N 3.09Å; F425-I428 CarbonylContact O-C 3.57Å; F425-I428 PolarHBondContact O-N 3.33Å; I428-K430 PolarHBondContact O-N 3.01Å; I428-I431 WeakPolarHBondContact O-CB 3.26Å; I428-I431 PolarHBondContact O-N 3.32Å; I428-I431 VanDerWaalsContact O-N 3.17Å; I428-F432 HydrophobicContact CG2-CD2 3.62Å; I428-F432 HydrophobicContact CG2-CE2 3.58Å; I428-F432 WeakPolarHBondContact O-CD2 3.41Å; I428-F432 PolarHBondContact O-N 3.1Å
429L47.7Very low46.5Very low80 Ų80102.3 Ų102.342%0.41953%0.53SS..Hα-helixtrans-65.9-36.5178-124.1106000111.7F425 I431 F432 S433F425-L429 HydrophobicContact CD1-CD1 3.41Å; F425-L429 VanDerWaalsContact CD1-CD1 3.41Å; F425-L429 HydrophobicContact CE1-CD1 3.13Å; F425-L429 HydrophobicContact CG-CD1 4.45Å; F425-L429 HydrophobicContact CZ-CD1 4Å; F425-L429 WeakPolarHBondContact O-CA 3.32Å; F425-L429 VanDerWaalsContact O-CB 3.26Å; F425-L429 WeakPolarHBondContact O-CB 3.46Å; F425-L429 PolarHBondContact O-N 3.07Å; L429-I431 VanDerWaalsContact C-N 3.32Å; L429-F432 CarbonylContact O-C 3.51Å; L429-F432 PolarHBondContact O-N 3.42Å; L429-S433 WeakPolarHBondContact O-CA 3.48Å; L429-S433 WeakPolarHBondContact O-CB 3.33Å; L429-S433 PolarHBondContact O-N 3.48Å; L429-S433 PolarHBondContact O-OG 3.35Å
430K51.9Low47Very low151 Ų151100 Ų10066%0.65753%0.532SS*.Hα-helixtrans-64.8-37.3173.5-82.5174.1178.7179.30111.4N426 T427 I428 F432 A434N426-K430 WeakPolarHBondContact O-CB 3.44Å; N426-K430 WeakPolarHBondContact O-CG 3.21Å; N426-K430 PolarHBondContact O-N 3.47Å; T427-K430 PolarHBondContact O-N 3.3Å; I428-K430 PolarHBondContact O-N 3.01Å; K430-F432 VanDerWaalsContact C-N 3.32Å; K430-A434 VanDerWaalsContact O-CB 3.28Å; K430-A434 WeakPolarHBondContact O-CB 3.41Å; K430-A434 PolarHBondContact O-N 3.27Å; K430-A434 VanDerWaalsContact O-N 3.14Å
431I51.7Low46.9Very low87 Ų8798.9 Ų98.945%0.44653%0.525SS..Hα-helixtrans-65.6-36.6173.1-66.5162.6000110.8T427 I428 L429T427-I431 HydrophobicContact CG2-CD1 4.31Å; T427-I431 WeakPolarHBondContact O-CD1 3.47Å; T427-I431 VanDerWaalsContact O-CG1 3.23Å; T427-I431 WeakPolarHBondContact O-CG1 3.29Å; T427-I431 PolarHBondContact O-N 3.25Å; I428-I431 WeakPolarHBondContact O-CB 3.26Å; I428-I431 PolarHBondContact O-N 3.32Å; I428-I431 VanDerWaalsContact O-N 3.17Å; L429-I431 VanDerWaalsContact C-N 3.32Å
432F45.6Very low46.8Very low121 Ų12197.6 Ų97.653%0.53152%0.519SS..Hα-helixtrans-81.8-32.8177.5-80.3-72.1000114.1I428 L429 K430 Q435I428-F432 HydrophobicContact CG2-CD2 3.62Å; I428-F432 HydrophobicContact CG2-CE2 3.58Å; I428-F432 WeakPolarHBondContact O-CD2 3.41Å; I428-F432 PolarHBondContact O-N 3.1Å; L429-F432 CarbonylContact O-C 3.51Å; L429-F432 PolarHBondContact O-N 3.42Å; K430-F432 VanDerWaalsContact C-N 3.32Å; F432-Q435 WeakPolarHBondContact O-CG 3.39Å; F432-Q435 PolarHBondContact O-OE1 3.18Å
433S45.2Very low46.4Very low81 Ų8198.1 Ų98.157%0.56653%0.526SS*.Hα-helixtrans-88.1-7.8-177.174.40000113.3L429 Q435L429-S433 WeakPolarHBondContact O-CA 3.48Å; L429-S433 WeakPolarHBondContact O-CB 3.33Å; L429-S433 PolarHBondContact O-N 3.48Å; L429-S433 PolarHBondContact O-OG 3.35Å; S433-Q435 PolarHBondContact O-N 3.4Å
434A45.7Very low46.3Very low44 Ų4499.3 Ų99.336%0.36453%0.528SS..G310 helixtrans-74.410.1170.300000113.5K430 D436 K437 L441K430-A434 VanDerWaalsContact O-CB 3.28Å; K430-A434 WeakPolarHBondContact O-CB 3.41Å; K430-A434 PolarHBondContact O-N 3.27Å; K430-A434 VanDerWaalsContact O-N 3.14Å; A434-D436 PolarHBondContact O-N 3.29Å; A434-K437 PolarHBondContact O-N 2.83Å; A434-L441 HydrophobicContact CB-CD2 4.23Å
435Q44.5Very low46.1Very low149 Ų149101.6 Ų101.670%0.69653%0.533SS*.G310 helixtrans-62.1-7.1177-84.9-178.9-49.600115.1F432 S433F432-Q435 WeakPolarHBondContact O-CG 3.39Å; F432-Q435 PolarHBondContact O-OE1 3.18Å; S433-Q435 PolarHBondContact O-N 3.4Å
436D44.7Very low46.3Very low164 Ų164100.3 Ų100.388%0.87754%0.54SS*.G310 helixtrans-100.18.4178.6-100-14.1000114.8A434A434-D436 PolarHBondContact O-N 3.29Å
437K42.8Very low46.3Very low183 Ų183107 Ų10780%0.79656%0.56SS**SBendtrans-121.778.7167.3-75.3-173.1179.1175.90110.7A434A434-K437 PolarHBondContact O-N 2.83Å
438D39.1Very low46.2Very low136 Ų136106.3 Ų106.373%0.72756%0.56SS**THydrogen-bonded Turntrans-45.5151.4175.2-123.7-13.7000113.9S440D438-S440 PolarHBondContact O-N 3.24Å
439D42.9Very low46.6Very low133 Ų133107.7 Ų107.771%0.71157%0.571SS**THydrogen-bonded Turntrans80.6-39.1174-62.2-24.3000120.3
440S46.5Very low47.3Very low95 Ų95110.4 Ų110.466%0.66459%0.586SS**Hα-helixtrans-87.2-29.2-175.2-610000114.2D438 V444D438-S440 PolarHBondContact O-N 3.24Å; S440-V444 WeakPolarHBondContact O-CG2 3.42Å; S440-V444 PolarHBondContact O-N 3.43Å
441L45.1Very low48.2Very low60 Ų60109.2 Ų109.231%0.31458%0.583SS.*Hα-helixtrans-84.6-31.6-175.5-161.974.6000112.8A434 V444 K445A434-L441 HydrophobicContact CB-CD2 4.23Å; L441-V444 PolarHBondContact O-N 3.14Å; L441-K445 HydrophobicContact CG-CD 4.48Å; L441-K445 WeakPolarHBondContact O-CB 3.32Å; L441-K445 VanDerWaalsContact O-CG 3.23Å; L441-K445 WeakPolarHBondContact O-CG 3.11Å; L441-K445 PolarHBondContact O-N 3.41Å
442E43.2Very low49Very low132 Ų132105.7 Ų105.762%0.61757%0.565SS**Hα-helixtrans-65.9-38.2171.9-86.1-75.6133.800111.4V444 K445 S446E442-V444 VanDerWaalsContact C-N 3.3Å; E442-V444 PolarHBondContact O-N 3.16Å; E442-K445 PolarHBondContact O-N 3.19Å; E442-S446 WeakPolarHBondContact O-CB 3.44Å; E442-S446 PolarHBondContact O-N 2.8Å
443A43Very low50.2Low54 Ų54103.1 Ų103.145%0.44656%0.556SS.*Hα-helixtrans-71.3-21.3175.900000113.9R447A443-R447 WeakPolarHBondContact O-CB 3.46Å
444V45.4Very low51.7Low80 Ų80100.7 Ų100.749%0.48554%0.544SS..Hα-helixtrans-86.6-40.9173.1172.60000110.6S440 L441 E442 S446 R447 A448S440-V444 WeakPolarHBondContact O-CG2 3.42Å; S440-V444 PolarHBondContact O-N 3.43Å; L441-V444 PolarHBondContact O-N 3.14Å; E442-V444 VanDerWaalsContact C-N 3.3Å; E442-V444 PolarHBondContact O-N 3.16Å; V444-S446 VanDerWaalsContact C-N 3.3Å; V444-S446 PolarHBondContact O-N 2.65Å; V444-R447 PolarHBondContact O-N 3.5Å; V444-A448 PolarHBondContact O-N 2.91Å
445K45.1Very low53.1Low73 Ų73101.1 Ų101.132%0.31754%0.54SS..Hα-helixtrans-62.5-32.5172.4-75.3172.8179.3178.70113L441 E442L441-K445 HydrophobicContact CG-CD 4.48Å; L441-K445 WeakPolarHBondContact O-CB 3.32Å; L441-K445 VanDerWaalsContact O-CG 3.23Å; L441-K445 WeakPolarHBondContact O-CG 3.11Å; L441-K445 PolarHBondContact O-N 3.41Å; E442-K445 PolarHBondContact O-N 3.19Å
446S48.5Very low54.7Low99 Ų9995 Ų9569%0.69251%0.512SS*.THydrogen-bonded Turntrans-83.5-6.9-17989.60000114.6E442 V444E442-S446 WeakPolarHBondContact O-CB 3.44Å; E442-S446 PolarHBondContact O-N 2.8Å; V444-S446 VanDerWaalsContact C-N 3.3Å; V444-S446 PolarHBondContact O-N 2.65Å
447R49.9Very low56.3Low208 Ų20892.3 Ų92.379%0.78549%0.494SS*.THydrogen-bonded Turntrans-116.5-23.7-167.7-131.6173.2-174.9179.7-0.2114.3A443 V444A443-R447 WeakPolarHBondContact O-CB 3.46Å; V444-R447 PolarHBondContact O-N 3.5Å
448A51.1Low58.1Low38 Ų3885.3 Ų85.331%0.31447%0.468SS..SBendtrans-108114.8167.700000108.6V444V444-A448 PolarHBondContact O-N 2.91Å
449T58.1Low60.2Low93 Ų9378.9 Ų78.957%0.57143%0.434SS*.  trans-48.9136.8-166.549.40000113.5Q451 L452T449-Q451 CarbonylContact O-C 3.6Å; T449-Q451 PolarHBondContact O-N 2.88Å; T449-L452 PolarHBondContact O-N 2.67Å
450D64Low62Low137 Ų13774.4 Ų74.473%0.73341%0.408SS*.Hα-helixtrans-45.1-29.3172.6-72.7-40.5000112.9I453 G454D450-I453 PolarHBondContact O-N 3.17Å; D450-G454 PolarHBondContact O-N 3.22Å
451Q69.2Low63.7Low127 Ų12772.7 Ų72.759%0.59339%0.389SS*.Hα-helixtrans-56.7-46.3172.6-16961.644.400113.4T449 I453 G454 D455T449-Q451 CarbonylContact O-C 3.6Å; T449-Q451 PolarHBondContact O-N 2.88Å; Q451-I453 PolarHBondContact O-N 2.85Å; Q451-G454 PolarHBondContact O-N 3.47Å; Q451-D455 PolarHBondContact NE2-OD1 3.45Å; Q451-D455 WeakPolarHBondContact O-CB 2.98Å; Q451-D455 PolarHBondContact O-N 3.24Å
452L70.4Confident65.6Low13 Ų1369.9 Ų69.97%0.06837%0.374CS..Hα-helixtrans-66.5-40.1-178.6-176.662.3000111.5T449 D455 I456 L503 F506T449-L452 PolarHBondContact O-N 2.67Å; L452-D455 PolarHBondContact O-N 3.21Å; L452-I456 HydrophobicContact CD1-CD1 4.29Å; L452-I456 HydrophobicContact CG-CD1 4.09Å; L452-I456 VanDerWaalsContact O-CG1 3.28Å; L452-I456 WeakPolarHBondContact O-CG1 3.45Å; L452-I456 PolarHBondContact O-N 3.2Å; L452-L503 HydrophobicContact CD1-CD1 4.49Å; L452-F506 HydrophobicContact CD1-CD1 3.85Å; L452-F506 HydrophobicContact CD1-CE1 3.98Å
453I69.8Low67.6Low67 Ų6763.6 Ų63.634%0.34435%0.345SS..Hα-helixtrans-64-45.9176.6-62.2175.1000109.8D450 Q451 D455 I456 Q457D450-I453 PolarHBondContact O-N 3.17Å; Q451-I453 PolarHBondContact O-N 2.85Å; I453-D455 VanDerWaalsContact C-N 3.34Å; I453-D455 PolarHBondContact O-N 3.28Å; I453-I456 PolarHBondContact O-N 3.49Å; I453-Q457 HydrophobicContact CG2-CG 4.5Å; I453-Q457 WeakPolarHBondContact O-CG 3.3Å; I453-Q457 PolarHBondContact O-N 2.91Å
454G76.1Confident69.5Low30 Ų3063.3 Ų63.331%0.30934%0.335SS..Hα-helixtrans-59.9-42.2175.200000112.8D450 Q451 I456 Q457 S458D450-G454 PolarHBondContact O-N 3.22Å; Q451-G454 PolarHBondContact O-N 3.47Å; G454-I456 VanDerWaalsContact C-N 3.34Å; G454-I456 PolarHBondContact O-N 2.75Å; G454-Q457 PolarHBondContact O-N 2.9Å; G454-S458 PolarHBondContact O-N 3.48Å
455D76.6Confident71.1Confident53 Ų5361.1 Ų61.128%0.28332%0.319SS..Hα-helixtrans-64.6-38.6178.5-69.2-14.7000111.5Q451 L452 I453 A459 R499 L503Q451-D455 PolarHBondContact NE2-OD1 3.45Å; Q451-D455 WeakPolarHBondContact O-CB 2.98Å; Q451-D455 PolarHBondContact O-N 3.24Å; L452-D455 PolarHBondContact O-N 3.21Å; I453-D455 VanDerWaalsContact C-N 3.34Å; I453-D455 PolarHBondContact O-N 3.28Å; D455-A459 WeakPolarHBondContact O-CB 3.37Å; D455-A459 PolarHBondContact O-N 3.07Å; D455-R499 VanDerWaalsContact O-CZ 3.25Å; D455-R499 PolarHBondContact O-NH1 3.37Å; D455-R499 PolarHBondContact O-NH2 3.08Å; D455-L503 HydrophobicContact CB-CD1 4.05Å
456I77.3Confident72.9Confident19 Ų1958 Ų5810%0.09731%0.307CS..Hα-helixtrans-71.4-40.4177-67.7170.6000111.3L452 I453 G454 A459 H460 L503 I517 I519L452-I456 HydrophobicContact CD1-CD1 4.29Å; L452-I456 HydrophobicContact CG-CD1 4.09Å; L452-I456 VanDerWaalsContact O-CG1 3.28Å; L452-I456 WeakPolarHBondContact O-CG1 3.45Å; L452-I456 PolarHBondContact O-N 3.2Å; I453-I456 PolarHBondContact O-N 3.49Å; G454-I456 VanDerWaalsContact C-N 3.34Å; G454-I456 PolarHBondContact O-N 2.75Å; I456-A459 WeakPolarHBondContact O-CB 3.31Å; I456-A459 PolarHBondContact O-N 3.19Å; I456-A459 VanDerWaalsContact O-N 3.13Å; I456-H460 WeakPolarHBondContact O-CB 3.49Å; I456-H460 PolarHBondContact O-N 2.79Å; I456-L503 HydrophobicContact CG1-CD2 4.04Å; I456-I517 HydrophobicContact CD1-CG2 3.26Å; I456-I519 HydrophobicContact CD1-CD1 3.94Å; I456-I519 HydrophobicContact CD1-CG1 4.14Å; I456-I519 HydrophobicContact CG1-CD1 4.34Å; I456-I519 HydrophobicContact CG1-CG1 4.36Å
457Q78.2Confident74.6Confident109 Ų10953.8 Ų53.851%0.50928%0.276SS..Hα-helixtrans-61.4-44.7175-74.6176.2-8.100111.9I453 G454 A459 H460 F461I453-Q457 HydrophobicContact CG2-CG 4.5Å; I453-Q457 WeakPolarHBondContact O-CG 3.3Å; I453-Q457 PolarHBondContact O-N 2.91Å; G454-Q457 PolarHBondContact O-N 2.9Å; Q457-A459 VanDerWaalsContact C-N 3.3Å; Q457-A459 PolarHBondContact O-N 2.83Å; Q457-H460 PolarHBondContact O-N 3.24Å; Q457-F461 WeakPolarHBondContact O-CB 3.41Å; Q457-F461 PolarHBondContact O-N 2.81Å
458S81.2Confident76.1Confident36 Ų3649 Ų4925%0.25226%0.258SS..Hα-helixtrans-62-39.7172.6150.20000110.9D149 G454 H460 F461 V462 R499D149-S458 PolarHBondContact OD2-OG 3.06Å; G454-S458 PolarHBondContact O-N 3.48Å; S458-H460 VanDerWaalsContact C-N 3.31Å; S458-H460 PolarHBondContact O-N 3.18Å; S458-F461 PolarHBondContact O-N 3.34Å; S458-V462 WeakPolarHBondContact O-CG2 3.42Å; S458-V462 PolarHBondContact O-N 2.86Å; S458-R499 PolarHBondContact OG-NH2 2.94Å
459A83Confident77.4Confident0 Ų049.3 Ų49.30%025%0.252CS..Hα-helixtrans-60.6-44.7177.600000111.5D455 I456 Q457 L463 Y495 R499 L500 L503 L522D455-A459 WeakPolarHBondContact O-CB 3.37Å; D455-A459 PolarHBondContact O-N 3.07Å; I456-A459 WeakPolarHBondContact O-CB 3.31Å; I456-A459 PolarHBondContact O-N 3.19Å; I456-A459 VanDerWaalsContact O-N 3.13Å; Q457-A459 VanDerWaalsContact C-N 3.3Å; Q457-A459 PolarHBondContact O-N 2.83Å; A459-L463 VanDerWaalsContact O-CB 3.25Å; A459-L463 WeakPolarHBondContact O-CB 3.49Å; A459-L463 PolarHBondContact O-N 3.3Å; A459-Y495 WeakPolarHBondContact CA-OH 3.15Å; A459-Y495 PolarHBondContact O-OH 2.87Å; A459-Y495 VanDerWaalsContact O-OH 3.14Å; A459-R499 VanDerWaalsContact CB-CZ 3.45Å; A459-R499 VanDerWaalsContact N-NH2 3.1Å; A459-L500 HydrophobicContact CB-CD2 4.33Å; A459-L503 HydrophobicContact CB-CD2 3.84Å; A459-L522 HydrophobicContact CB-CD1 4.08Å
460H80.8Confident78.6Confident39 Ų3944.9 Ų44.918%0.18123%0.225CC..Hα-helixtrans-63.3-48178.3-170.1-74.5000111.2A424 I456 Q457 S458 V462 L463 M464 L522A424-H460 WeakPolarHBondContact CB-CE1 3.42Å; A424-H460 WeakPolarHBondContact CB-NE2 3.46Å; I456-H460 WeakPolarHBondContact O-CB 3.49Å; I456-H460 PolarHBondContact O-N 2.79Å; Q457-H460 PolarHBondContact O-N 3.24Å; S458-H460 VanDerWaalsContact C-N 3.31Å; S458-H460 PolarHBondContact O-N 3.18Å; H460-V462 PolarHBondContact O-N 3.49Å; H460-L463 PolarHBondContact O-N 2.93Å; H460-M464 WeakPolarHBondContact CE1-CG 3.28Å; H460-M464 WeakPolarHBondContact O-CB 3.18Å; H460-M464 VanDerWaalsContact O-CG 3.25Å; H460-M464 WeakPolarHBondContact O-CG 3.31Å; H460-M464 PolarHBondContact O-N 2.93Å; H460-L522 HydrophobicContact CB-CD2 3.95Å; H460-L522 VanDerWaalsContact CD2-CD2 3.5Å; H460-L522 WeakPolarHBondContact CD2-CD2 3.1Å
461F82.2Confident79.6Confident60 Ų6040.3 Ų40.326%0.26320%0.198SC..Hα-helixtrans-55.3-53.2177177.9-101.5000111.7E142 L146 Q457 S458 L463 M464 E465E142-F461 HydrophobicContact CB-CZ 4.08Å; E142-F461 VanDerWaalsContact OE2-CE2 3.29Å; E142-F461 WeakPolarHBondContact OE2-CE2 3.39Å; E142-F461 VanDerWaalsContact OE2-CZ 3.22Å; E142-F461 WeakPolarHBondContact OE2-CZ 3.2Å; L146-F461 HydrophobicContact CB-CE1 4.47Å; Q457-F461 WeakPolarHBondContact O-CB 3.41Å; Q457-F461 PolarHBondContact O-N 2.81Å; S458-F461 PolarHBondContact O-N 3.34Å; F461-L463 PolarHBondContact O-N 3.5Å; F461-M464 PolarHBondContact O-N 2.66Å; F461-E465 HydrophobicContact CE1-CG 4.29Å; F461-E465 HydrophobicContact CZ-CG 4.22Å; F461-E465 WeakPolarHBondContact O-CG 3.38Å; F461-E465 PolarHBondContact O-N 3.39Å
462V83.7Confident80.1Confident0 Ų042.3 Ų42.30%021%0.206CC..Hα-helixtrans-65.1-41.2-178.3177.60000111.7L146 D149 L150 S458 H460 M464 E465 L466 Y495L146-V462 HydrophobicContact CD1-CB 4.13Å; L146-V462 HydrophobicContact CD1-CG1 3.85Å; L146-V462 HydrophobicContact CD1-CG2 3.89Å; D149-V462 HydrophobicContact CB-CG2 3.9Å; D149-V462 WeakPolarHBondContact OD2-CG2 3.47Å; L150-V462 HydrophobicContact CD1-CG1 4.37Å; L150-V462 HydrophobicContact CD2-CG1 3.63Å; L150-V462 HydrophobicContact CG-CG1 4Å; S458-V462 WeakPolarHBondContact O-CG2 3.42Å; S458-V462 PolarHBondContact O-N 2.86Å; H460-V462 PolarHBondContact O-N 3.49Å; V462-M464 PolarHBondContact O-N 3.05Å; V462-E465 PolarHBondContact O-N 2.68Å; V462-L466 HydrophobicContact CG1-CD1 4.17Å; V462-L466 WeakPolarHBondContact O-CG 3.47Å; V462-L466 PolarHBondContact O-N 3.48Å; V462-Y495 HydrophobicContact CB-CE2 4.02Å; V462-Y495 HydrophobicContact CG1-CD2 4.03Å; V462-Y495 HydrophobicContact CG1-CE2 3.32Å
463L85Confident80.3Confident0 Ų042.9 Ų42.90%021%0.211CC..Hα-helixtrans-64.6-40.8177.9-177.463.2000111.9A459 H460 F461 L466 L467 L492 Y495 L500 L522 L526A459-L463 VanDerWaalsContact O-CB 3.25Å; A459-L463 WeakPolarHBondContact O-CB 3.49Å; A459-L463 PolarHBondContact O-N 3.3Å; H460-L463 PolarHBondContact O-N 2.93Å; F461-L463 PolarHBondContact O-N 3.5Å; L463-L466 PolarHBondContact O-N 3.38Å; L463-L467 HydrophobicContact CD1-CD1 4.27Å; L463-L467 HydrophobicContact CD1-CG 4.24Å; L463-L467 HydrophobicContact CD2-CD1 4.35Å; L463-L467 HydrophobicContact CG-CD1 3.87Å; L463-L467 HydrophobicContact CG-CG 4.29Å; L463-L467 WeakPolarHBondContact O-CB 3.27Å; L463-L467 VanDerWaalsContact O-CG 3.31Å; L463-L467 WeakPolarHBondContact O-CG 3.49Å; L463-L467 PolarHBondContact O-N 3.04Å; L463-L492 HydrophobicContact CD1-CD2 4.02Å; L463-Y495 HydrophobicContact CB-CE1 4.07Å; L463-Y495 HydrophobicContact CD1-CD1 4.16Å; L463-Y495 HydrophobicContact CD1-CE1 4.26Å; L463-L500 HydrophobicContact CD2-CD1 4.43Å; L463-L522 HydrophobicContact CB-CD2 4.37Å; L463-L522 HydrophobicContact CD2-CB 3.74Å; L463-L522 HydrophobicContact CD2-CD2 3.59Å; L463-L522 HydrophobicContact CD2-CG 4.25Å; L463-L526 HydrophobicContact CD1-CD1 4.45Å; L463-L526 HydrophobicContact CD1-CD2 3.65Å; L463-L526 HydrophobicContact CD1-CG 3.91Å; L463-L526 HydrophobicContact CD2-CG 4.23Å
464M83.3Confident80.7Confident49 Ų4941.3 Ų41.324%0.24120%0.202CC..Hα-helixtrans-65.4-38.5177.2-70.4-53.511700112H460 F461 V462 L467 R468 C525H460-M464 WeakPolarHBondContact CE1-CG 3.28Å; H460-M464 WeakPolarHBondContact O-CB 3.18Å; H460-M464 VanDerWaalsContact O-CG 3.25Å; H460-M464 WeakPolarHBondContact O-CG 3.31Å; H460-M464 PolarHBondContact O-N 2.93Å; F461-M464 PolarHBondContact O-N 2.66Å; V462-M464 PolarHBondContact O-N 3.05Å; M464-L467 HydrophobicContact CE-CD1 3.71Å; M464-L467 PolarHBondContact O-N 3.22Å; M464-L467 HydrophobicContact SD-CD1 4.3Å; M464-R468 WeakPolarHBondContact O-CB 3.24Å; M464-R468 PolarHBondContact O-N 3.47Å; M464-C525 HydrophobicContact CE-CB 4.29Å
465E79.5Confident80.7Confident33 Ų3344.4 Ų44.415%0.15422%0.217CC..Hα-helixtrans-59.8-46.4172.2-71.1-57.1121.100111.6L146 F165 F461 V462 R468 K469L146-E465 HydrophobicContact CD1-CB 4.09Å; L146-E465 HydrophobicContact CD1-CG 4.17Å; L146-E465 HydrophobicContact CD2-CB 4.24Å; L146-E465 HydrophobicContact CD2-CG 4.14Å; F165-E465 HydrophobicContact CE1-CB 4.15Å; F461-E465 HydrophobicContact CE1-CG 4.29Å; F461-E465 HydrophobicContact CZ-CG 4.22Å; F461-E465 WeakPolarHBondContact O-CG 3.38Å; F461-E465 PolarHBondContact O-N 3.39Å; V462-E465 PolarHBondContact O-N 2.68Å; E465-R468 PolarHBondContact O-N 2.88Å; E465-R468 IonicContact OE1-CZ 3.11Å; E465-R468 IonicContact OE1-NH1 2.68Å; E465-R468 PolarHBondContact OE1-NH1 3.23Å; E465-R468 IonicContact OE1-NH2 2.68Å; E465-R468 PolarHBondContact OE1-NH2 3.13Å; E465-R468 IonicContact OE2-CZ 3.84Å; E465-R468 IonicContact OE2-NH1 2.72Å; E465-R468 PolarHBondContact OE2-NH1 3.15Å; E465-K469 WeakPolarHBondContact O-CG 3.42Å; E465-K469 PolarHBondContact O-N 3.09Å
466L83.9Confident80.7Confident9 Ų942.5 Ų42.55%0.04721%0.208CC..Hα-helixtrans-62.5-45.6177.6-72.1169.7000112.2L150 I156 F165 V462 L463 K469 F470 T491 L492 Y495L150-L466 HydrophobicContact CD1-CD2 4.42Å; L150-L466 HydrophobicContact CD2-CD1 4.21Å; L150-L466 HydrophobicContact CD2-CD2 4.49Å; I156-L466 HydrophobicContact CD1-CD2 4.3Å; F165-L466 HydrophobicContact CZ-CD2 3.85Å; V462-L466 HydrophobicContact CG1-CD1 4.17Å; V462-L466 WeakPolarHBondContact O-CG 3.47Å; V462-L466 PolarHBondContact O-N 3.48Å; L463-L466 PolarHBondContact O-N 3.38Å; L466-K469 PolarHBondContact O-N 3.27Å; L466-F470 PolarHBondContact O-N 2.86Å; L466-T491 HydrophobicContact CD2-CG2 3.52Å; L466-L492 HydrophobicContact CB-CD2 3.66Å; L466-L492 HydrophobicContact CD1-CD2 4.37Å; L466-Y495 HydrophobicContact CD1-CD1 4Å; L466-Y495 HydrophobicContact CD1-CD2 3.75Å; L466-Y495 HydrophobicContact CD1-CE2 4.37Å; L466-Y495 HydrophobicContact CD1-CG 3.56Å
467L83.5Confident80.7Confident9 Ų949.1 Ų49.15%0.04724%0.242CC..Hα-helixtrans-63.8-42.7177.2-73.7171.2000111L463 M464 K469 F470 W471 L492 C525 A529L463-L467 HydrophobicContact CD1-CD1 4.27Å; L463-L467 HydrophobicContact CD1-CG 4.24Å; L463-L467 HydrophobicContact CD2-CD1 4.35Å; L463-L467 HydrophobicContact CG-CD1 3.87Å; L463-L467 HydrophobicContact CG-CG 4.29Å; L463-L467 WeakPolarHBondContact O-CB 3.27Å; L463-L467 VanDerWaalsContact O-CG 3.31Å; L463-L467 WeakPolarHBondContact O-CG 3.49Å; L463-L467 PolarHBondContact O-N 3.04Å; M464-L467 HydrophobicContact CE-CD1 3.71Å; M464-L467 PolarHBondContact O-N 3.22Å; M464-L467 HydrophobicContact SD-CD1 4.3Å; L467-K469 VanDerWaalsContact C-N 3.27Å; L467-K469 PolarHBondContact O-N 2.91Å; L467-F470 WeakPolarHBondContact O-CB 3.44Å; L467-F470 PolarHBondContact O-N 2.81Å; L467-F470 VanDerWaalsContact O-N 3.13Å; L467-W471 PolarHBondContact O-N 2.96Å; L467-L492 HydrophobicContact CD2-CD1 4.34Å; L467-L492 HydrophobicContact CD2-CD2 4.28Å; L467-L492 HydrophobicContact CG-CD2 4.49Å; L467-C525 HydrophobicContact CD1-CB 3.66Å; L467-A529 HydrophobicContact CD2-CB 3.64Å
468R82Confident80.8Confident107 Ų10747.2 Ų47.240%0.40424%0.238SC..Hα-helixtrans-57-43.1177.6-163.9-177.6-47.498.80.3111.3M464 E465 W471 H472M464-R468 WeakPolarHBondContact O-CB 3.24Å; M464-R468 PolarHBondContact O-N 3.47Å; E465-R468 PolarHBondContact O-N 2.88Å; E465-R468 IonicContact OE1-CZ 3.11Å; E465-R468 IonicContact OE1-NH1 2.68Å; E465-R468 PolarHBondContact OE1-NH1 3.23Å; E465-R468 IonicContact OE1-NH2 2.68Å; E465-R468 PolarHBondContact OE1-NH2 3.13Å; E465-R468 IonicContact OE2-CZ 3.84Å; E465-R468 IonicContact OE2-NH1 2.72Å; E465-R468 PolarHBondContact OE2-NH1 3.15Å; R468-W471 PolarHBondContact O-N 3.21Å; R468-H472 VanDerWaalsContact O-CB 3.27Å; R468-H472 WeakPolarHBondContact O-CB 3.25Å; R468-H472 PolarHBondContact O-N 3.38Å
469K78.4Confident80.8Confident45 Ų4550.2 Ų50.220%0.19626%0.257CS..Hα-helixtrans-68.5-38.4177.4-62.8-64.6172.3172.80112.7M164 F165 E465 L466 L467 S473M164-K469 WeakPolarHBondContact O-CD 3.35Å; M164-K469 WeakPolarHBondContact O-CE 3.46Å; M164-K469 PolarHBondContact O-NZ 3.42Å; F165-K469 HydrophobicContact CD1-CG 4.18Å; F165-K469 HydrophobicContact CE1-CG 3.76Å; F165-K469 HydrophobicContact CZ-CG 4.39Å; E465-K469 WeakPolarHBondContact O-CG 3.42Å; E465-K469 PolarHBondContact O-N 3.09Å; L466-K469 PolarHBondContact O-N 3.27Å; L467-K469 VanDerWaalsContact C-N 3.27Å; L467-K469 PolarHBondContact O-N 2.91Å; K469-S473 PolarHBondContact O-N 3.22Å; K469-S473 PolarHBondContact O-OG 2.85Å; K469-S473 VanDerWaalsContact O-OG 3.04Å
470F83.2Confident80.7Confident0 Ų056.6 Ų56.60%029%0.287CS..Hα-helixtrans-59.9-50.7172.7172.5-93.2000111.2L466 L467 H472 S473 F474 V485 A488 L492 A529 Y533L466-F470 PolarHBondContact O-N 2.86Å; L467-F470 WeakPolarHBondContact O-CB 3.44Å; L467-F470 PolarHBondContact O-N 2.81Å; L467-F470 VanDerWaalsContact O-N 3.13Å; F470-H472 PolarHBondContact O-N 3.35Å; F470-S473 PolarHBondContact O-N 2.93Å; F470-S473 VanDerWaalsContact O-N 3.16Å; F470-F474 HydrophobicContact CD1-CD2 4.25Å; F470-F474 HydrophobicContact CD1-CE2 4.43Å; F470-F474 HydrophobicContact CD2-CE2 4.22Å; F470-F474 AromaticContact CE1-CD2 3.86Å; F470-F474 HydrophobicContact CE1-CD2 3.86Å; F470-F474 AromaticContact CE1-CE2 3.75Å; F470-F474 HydrophobicContact CE1-CE2 3.75Å; F470-F474 HydrophobicContact CE2-CD2 4.23Å; F470-F474 AromaticContact CE2-CE2 3.53Å; F470-F474 HydrophobicContact CE2-CE2 3.53Å; F470-F474 HydrophobicContact CE2-CZ 4.5Å; F470-F474 AromaticContact CZ-CD2 3.86Å; F470-F474 HydrophobicContact CZ-CD2 3.86Å; F470-F474 AromaticContact CZ-CE2 3.26Å; F470-F474 HydrophobicContact CZ-CE2 3.26Å; F470-F474 HydrophobicContact CZ-CZ 4.11Å; F470-F474 WeakPolarHBondContact O-CD2 3.43Å; F470-V485 HydrophobicContact CE2-CG1 4.21Å; F470-A488 HydrophobicContact CB-CB 4.43Å; F470-A488 HydrophobicContact CD2-CB 4.38Å; F470-L492 HydrophobicContact CB-CD1 4.18Å; F470-L492 HydrophobicContact CD2-CD1 3.97Å; F470-L492 HydrophobicContact CG-CD1 4.09Å; F470-A529 HydrophobicContact CD1-CB 4.08Å; F470-A529 HydrophobicContact CE1-CB 3.73Å; F470-A529 HydrophobicContact CZ-CB 4.1Å; F470-A529 WeakPolarHBondContact CZ-O 3.29Å; F470-Y533 HydrophobicContact CE2-CD2 4.49Å
471W84.4Confident80.6Confident42 Ų4255.5 Ų55.516%0.15928%0.284CS..Hα-helixtrans-70-32.4-178.2-65.8119.6000113.4F419 L467 R468 S473 F474 M528 A529 K532F419-W471 HydrophobicContact CE1-CB 4.19Å; F419-W471 AromaticContact CE1-CD1 3.42Å; F419-W471 VanDerWaalsContact CE1-CD1 3.42Å; F419-W471 AromaticContact CE1-CD2 3.88Å; F419-W471 HydrophobicContact CE1-CD2 3.88Å; F419-W471 AromaticContact CE1-CE2 3.92Å; F419-W471 AromaticContact CE1-CG 3.6Å; F419-W471 HydrophobicContact CE1-CG 3.6Å; F419-W471 AromaticContact CE1-NE1 3.67Å; F419-W471 HydrophobicContact CE2-CD2 4.28Å; F419-W471 HydrophobicContact CE2-CE3 4.2Å; F419-W471 HydrophobicContact CE2-CZ3 4.43Å; F419-W471 HydrophobicContact CZ-CB 4.13Å; F419-W471 AromaticContact CZ-CD1 3.68Å; F419-W471 AromaticContact CZ-CD2 3.27Å; F419-W471 HydrophobicContact CZ-CD2 3.27Å; F419-W471 AromaticContact CZ-CE2 3.45Å; F419-W471 VanDerWaalsContact CZ-CE2 3.45Å; F419-W471 AromaticContact CZ-CE3 3.6Å; F419-W471 HydrophobicContact CZ-CE3 3.6Å; F419-W471 AromaticContact CZ-CG 3.46Å; F419-W471 HydrophobicContact CZ-CG 3.46Å; F419-W471 VanDerWaalsContact CZ-CG 3.46Å; F419-W471 HydrophobicContact CZ-CH2 4.21Å; F419-W471 AromaticContact CZ-CZ2 3.96Å; F419-W471 HydrophobicContact CZ-CZ2 3.96Å; F419-W471 HydrophobicContact CZ-CZ3 4.03Å; F419-W471 AromaticContact CZ-NE1 3.71Å; L467-W471 PolarHBondContact O-N 2.96Å; R468-W471 PolarHBondContact O-N 3.21Å; W471-S473 PolarHBondContact O-N 3.19Å; W471-F474 PolarHBondContact O-N 3.02Å; W471-F474 VanDerWaalsContact O-O 3.13Å; W471-M528 HydrophobicContact CH2-CG 4.4Å; W471-M528 HydrophobicContact CZ2-CG 4.26Å; W471-A529 HydrophobicContact CZ2-CB 4.28Å; W471-K532 HydrophobicContact CH2-CB 3.78Å; W471-K532 HydrophobicContact CH2-CD 4.33Å; W471-K532 HydrophobicContact CH2-CG 3.9Å; W471-K532 HydrophobicContact CZ3-CB 4.1Å; W471-K532 HydrophobicContact CZ3-CD 4.17Å; W471-K532 HydrophobicContact CZ3-CG 3.71Å
472H79.4Confident80.6Confident168 Ų16855.4 Ų55.478%0.77829%0.285SS*.Hα-helixtrans-64.2-24173.2-163.983.4000112.9R468 F470 F474R468-H472 VanDerWaalsContact O-CB 3.27Å; R468-H472 WeakPolarHBondContact O-CB 3.25Å; R468-H472 PolarHBondContact O-N 3.38Å; F470-H472 PolarHBondContact O-N 3.35Å; H472-F474 VanDerWaalsContact C-N 3.32Å
473S75.6Confident80.6Confident25 Ų2562.6 Ų62.618%0.17532%0.318CS..THydrogen-bonded Turntrans-88.2-1.3176.1-52.70000112.8K469 F470 W471 P475 P476 V485K469-S473 PolarHBondContact O-N 3.22Å; K469-S473 PolarHBondContact O-OG 2.85Å; K469-S473 VanDerWaalsContact O-OG 3.04Å; F470-S473 PolarHBondContact O-N 2.93Å; F470-S473 VanDerWaalsContact O-N 3.16Å; W471-S473 PolarHBondContact O-N 3.19Å; S473-P475 CarbonylContact O-C 3.6Å; S473-P476 WeakPolarHBondContact O-CA 3.37Å; S473-V485 VanDerWaalsContact CB-CG2 3.44Å; S473-V485 WeakPolarHBondContact O-CG2 3.44Å
474F77.9Confident80.4Confident34 Ų3468.4 Ų68.415%0.14934%0.343CS..  trans-106.6135.6176.7-94.6-81.4000111.8F470 W471 H472 P476 V485 Y533 W536F470-F474 HydrophobicContact CD1-CD2 4.25Å; F470-F474 HydrophobicContact CD1-CE2 4.43Å; F470-F474 HydrophobicContact CD2-CE2 4.22Å; F470-F474 AromaticContact CE1-CD2 3.86Å; F470-F474 HydrophobicContact CE1-CD2 3.86Å; F470-F474 AromaticContact CE1-CE2 3.75Å; F470-F474 HydrophobicContact CE1-CE2 3.75Å; F470-F474 HydrophobicContact CE2-CD2 4.23Å; F470-F474 AromaticContact CE2-CE2 3.53Å; F470-F474 HydrophobicContact CE2-CE2 3.53Å; F470-F474 HydrophobicContact CE2-CZ 4.5Å; F470-F474 AromaticContact CZ-CD2 3.86Å; F470-F474 HydrophobicContact CZ-CD2 3.86Å; F470-F474 AromaticContact CZ-CE2 3.26Å; F470-F474 HydrophobicContact CZ-CE2 3.26Å; F470-F474 HydrophobicContact CZ-CZ 4.11Å; F470-F474 WeakPolarHBondContact O-CD2 3.43Å; W471-F474 PolarHBondContact O-N 3.02Å; W471-F474 VanDerWaalsContact O-O 3.13Å; H472-F474 VanDerWaalsContact C-N 3.32Å; F474-P476 HydrophobicContact CE1-CG 4.48Å; F474-V485 HydrophobicContact CD2-CG1 4.2Å; F474-V485 HydrophobicContact CD2-CG2 4.14Å; F474-V485 HydrophobicContact CE2-CB 4.38Å; F474-V485 HydrophobicContact CE2-CG1 3.32Å; F474-V485 HydrophobicContact CE2-CG2 4.03Å; F474-V485 HydrophobicContact CZ-CG1 3.68Å; F474-Y533 HydrophobicContact CZ-CD2 4.15Å; F474-W536 HydrophobicContact CE1-CB 3.86Å; F474-W536 HydrophobicContact CE1-CD2 4.26Å; F474-W536 AromaticContact CE1-CG 3.78Å; F474-W536 HydrophobicContact CE1-CG 3.78Å; F474-W536 HydrophobicContact CZ-CB 4.31Å; F474-W536 HydrophobicContact CZ-CG 4.35Å
475P75Confident80.5Confident96 Ų9666 Ų6662%0.62333%0.332SS*.SBendcis-75.1136.6-5.229.7-32.3000112S473 L477S473-P475 CarbonylContact O-C 3.6Å; P475-L477 HydrophobicContact CG-CG 4.48Å; P475-L477 PolarHBondContact O-N 3.43Å
476P78.1Confident80.7Confident13 Ų1366.4 Ų66.48%0.08434%0.341CS..  trans-72.699.9177.829.3-34.2000109.6S473 F474 A481 E482 V485 W536S473-P476 WeakPolarHBondContact O-CA 3.37Å; F474-P476 HydrophobicContact CE1-CG 4.48Å; P476-A481 HydrophobicContact CB-CB 3.92Å; P476-E482 HydrophobicContact CB-CG 3.95Å; P476-E482 HydrophobicContact CG-CG 4.46Å; P476-V485 HydrophobicContact CB-CG2 4.15Å; P476-V485 HydrophobicContact CG-CG2 4.4Å; P476-W536 HydrophobicContact CB-CZ2 4.34Å; P476-W536 HydrophobicContact CG-CD2 4.24Å; P476-W536 HydrophobicContact CG-CH2 4.17Å; P476-W536 HydrophobicContact CG-CZ2 3.37Å
477L75.9Confident80.7Confident157 Ų15768.2 Ų68.282%0.82235%0.354SS*.  trans-87-14.8180-67.2168.1000112.8P475P475-L477 HydrophobicContact CG-CG 4.48Å; P475-L477 PolarHBondContact O-N 3.43Å
478T81.4Confident80.8Confident69 Ų6968.1 Ų68.142%0.42335%0.354SS..SBendtrans-126.9151.6-175.563.90000110.8E480 A481 E482T478-E480 PolarHBondContact O-N 3.02Å; T478-A481 WeakPolarHBondContact O-CB 3.37Å; T478-A481 PolarHBondContact O-N 3.12Å; T478-A481 WeakPolarHBondContact OG1-CB 3.26Å; T478-A481 PolarHBondContact OG1-N 3.33Å; T478-E482 WeakPolarHBondContact O-CG 3.4Å; T478-E482 PolarHBondContact O-N 3.36Å
479P80.5Confident80.9Confident100 Ų10063.6 Ų63.665%0.64934%0.338SS*.Hα-helixtrans-60.2-31.5177.824.5-34.6000112.5E482 Q483P479-E482 WeakPolarHBondContact O-CB 3.19Å; P479-E482 PolarHBondContact O-N 2.84Å; P479-Q483 PolarHBondContact O-N 3.05Å; P479-Q483 VanDerWaalsContact O-N 3.15Å
480E80.3Confident81.3Confident134 Ų13466.2 Ų66.263%0.62635%0.351SS*.Hα-helixtrans-65.1-41.3173-64.2-177.8-179.700112T478 E482 Q483 K484T478-E480 PolarHBondContact O-N 3.02Å; E480-E482 VanDerWaalsContact C-N 3.3Å; E480-E482 PolarHBondContact O-N 3.34Å; E480-Q483 PolarHBondContact O-N 3.23Å; E480-K484 WeakPolarHBondContact O-CG 3.33Å; E480-K484 PolarHBondContact O-N 2.76Å
481A79.6Confident81.4Confident16 Ų1666.8 Ų66.813%0.13235%0.354CS..Hα-helixtrans-64.7-3617500000111.2P476 T478 Q483 K484 V485P476-A481 HydrophobicContact CB-CB 3.92Å; T478-A481 WeakPolarHBondContact O-CB 3.37Å; T478-A481 PolarHBondContact O-N 3.12Å; T478-A481 WeakPolarHBondContact OG1-CB 3.26Å; T478-A481 PolarHBondContact OG1-N 3.33Å; A481-Q483 PolarHBondContact O-N 3.07Å; A481-K484 PolarHBondContact O-N 3.26Å; A481-V485 VanDerWaalsContact O-CG2 3.29Å; A481-V485 WeakPolarHBondContact O-CG2 3.35Å; A481-V485 PolarHBondContact O-N 3.33Å
482E82.4Confident81.5Confident58 Ų5864.8 Ų64.827%0.27135%0.347SS..Hα-helixtrans-62.1-43.1175-61.6-173.514400112.5P476 T478 P479 E480 K484 V485 A486 W536 K540P476-E482 HydrophobicContact CB-CG 3.95Å; P476-E482 HydrophobicContact CG-CG 4.46Å; T478-E482 WeakPolarHBondContact O-CG 3.4Å; T478-E482 PolarHBondContact O-N 3.36Å; P479-E482 WeakPolarHBondContact O-CB 3.19Å; P479-E482 PolarHBondContact O-N 2.84Å; E480-E482 VanDerWaalsContact C-N 3.3Å; E480-E482 PolarHBondContact O-N 3.34Å; E482-K484 VanDerWaalsContact C-N 3.34Å; E482-V485 PolarHBondContact O-N 3.29Å; E482-A486 WeakPolarHBondContact O-CB 3.1Å; E482-A486 PolarHBondContact O-N 3.11Å; E482-W536 HydrophobicContact CB-CH2 4.28Å; E482-W536 HydrophobicContact CG-CH2 4Å; E482-W536 HydrophobicContact CG-CZ2 3.97Å; E482-K540 WeakPolarHBondContact OE1-CE 3.39Å; E482-K540 IonicContact OE1-NZ 2.73Å; E482-K540 PolarHBondContact OE1-NZ 2.68Å; E482-K540 IonicContact OE2-NZ 2.66Å; E482-K540 PolarHBondContact OE2-NZ 3.15Å
483Q83.3Confident81.8Confident150 Ų15061.2 Ų61.270%0.70133%0.33SS*.Hα-helixtrans-63.8-41.1175.6-172.9179.66.100111.3P479 E480 A481 A486 S487P479-Q483 PolarHBondContact O-N 3.05Å; P479-Q483 VanDerWaalsContact O-N 3.15Å; E480-Q483 PolarHBondContact O-N 3.23Å; A481-Q483 PolarHBondContact O-N 3.07Å; Q483-A486 PolarHBondContact O-N 3.06Å; Q483-S487 WeakPolarHBondContact O-CB 3.15Å; Q483-S487 PolarHBondContact O-N 2.77Å
484K81.8Confident82.4Confident122 Ų12263.7 Ų63.753%0.5334%0.338SS..Hα-helixtrans-63-43.8176.1-72.8177.5-177.5179.20112.1E480 A481 E482 S487 A488E480-K484 WeakPolarHBondContact O-CG 3.33Å; E480-K484 PolarHBondContact O-N 2.76Å; A481-K484 PolarHBondContact O-N 3.26Å; E482-K484 VanDerWaalsContact C-N 3.34Å; K484-S487 PolarHBondContact O-N 2.96Å; K484-A488 WeakPolarHBondContact O-CB 3.5Å; K484-A488 PolarHBondContact O-N 3.03Å
485V84.2Confident82.8Confident0 Ų062.1 Ų62.10%033%0.331CS..Hα-helixtrans-61.9-44.3175.9173.40000110.8F470 S473 F474 P476 A481 E482 A488 M489 Y533F470-V485 HydrophobicContact CE2-CG1 4.21Å; S473-V485 VanDerWaalsContact CB-CG2 3.44Å; S473-V485 WeakPolarHBondContact O-CG2 3.44Å; F474-V485 HydrophobicContact CD2-CG1 4.2Å; F474-V485 HydrophobicContact CD2-CG2 4.14Å; F474-V485 HydrophobicContact CE2-CB 4.38Å; F474-V485 HydrophobicContact CE2-CG1 3.32Å; F474-V485 HydrophobicContact CE2-CG2 4.03Å; F474-V485 HydrophobicContact CZ-CG1 3.68Å; P476-V485 HydrophobicContact CB-CG2 4.15Å; P476-V485 HydrophobicContact CG-CG2 4.4Å; A481-V485 VanDerWaalsContact O-CG2 3.29Å; A481-V485 WeakPolarHBondContact O-CG2 3.35Å; A481-V485 PolarHBondContact O-N 3.33Å; E482-V485 PolarHBondContact O-N 3.29Å; V485-A488 PolarHBondContact O-N 2.87Å; V485-M489 WeakPolarHBondContact O-CB 3.37Å; V485-M489 PolarHBondContact O-N 2.8Å; V485-Y533 HydrophobicContact CG1-CD2 3.6Å; V485-Y533 HydrophobicContact CG1-CE2 3.61Å
486A84.8Confident83.3Confident41 Ų4159.3 Ų59.334%0.33931%0.31SS..Hα-helixtrans-63.2-42.6178.400000112.1E482 Q483 M489 E490E482-A486 WeakPolarHBondContact O-CB 3.1Å; E482-A486 PolarHBondContact O-N 3.11Å; Q483-A486 PolarHBondContact O-N 3.06Å; A486-M489 PolarHBondContact O-N 3.16Å; A486-E490 PolarHBondContact O-N 2.62Å; A486-E490 VanDerWaalsContact O-N 3.11Å
487S83.7Confident83.6Confident47 Ų4764.3 Ų64.333%0.32933%0.332SS..Hα-helixtrans-64.1-44.4174.8177.40000111.9Q483 K484 M489 E490 T491Q483-S487 WeakPolarHBondContact O-CB 3.15Å; Q483-S487 PolarHBondContact O-N 2.77Å; K484-S487 PolarHBondContact O-N 2.96Å; S487-M489 VanDerWaalsContact C-N 3.29Å; S487-M489 PolarHBondContact O-N 3.37Å; S487-E490 PolarHBondContact O-N 2.71Å; S487-T491 PolarHBondContact O-N 2.97Å; S487-T491 PolarHBondContact O-OG1 2.94Å; S487-T491 VanDerWaalsContact O-OG1 3.06Å
488A84.5Confident83.8Confident6 Ų660.5 Ų60.55%0.0532%0.317CS..Hα-helixtrans-62.2-37.1177.100000112.1F470 K484 V485 T491 L492F470-A488 HydrophobicContact CB-CB 4.43Å; F470-A488 HydrophobicContact CD2-CB 4.38Å; K484-A488 WeakPolarHBondContact O-CB 3.5Å; K484-A488 PolarHBondContact O-N 3.03Å; V485-A488 PolarHBondContact O-N 2.87Å; A488-T491 WeakPolarHBondContact O-CB 3.48Å; A488-T491 PolarHBondContact O-N 3.15Å; A488-L492 WeakPolarHBondContact O-CG 3.36Å; A488-L492 PolarHBondContact O-N 3.48Å
489M85.2Confident83.6Confident12 Ų1259 Ų596%0.05930%0.304CS..Hα-helixtrans-63.9-44.5174.4-176.672.8-175.800111.9V485 A486 S487 T491 L492 Q493 Y530 Y533V485-M489 WeakPolarHBondContact O-CB 3.37Å; V485-M489 PolarHBondContact O-N 2.8Å; A486-M489 PolarHBondContact O-N 3.16Å; S487-M489 VanDerWaalsContact C-N 3.29Å; S487-M489 PolarHBondContact O-N 3.37Å; M489-T491 VanDerWaalsContact C-N 3.28Å; M489-T491 PolarHBondContact O-N 3Å; M489-L492 PolarHBondContact O-N 3.04Å; M489-Q493 HydrophobicContact CE-CG 4.35Å; M489-Q493 WeakPolarHBondContact O-CG 3.46Å; M489-Q493 PolarHBondContact O-N 3.01Å; M489-Y530 HydrophobicContact CE-CD1 3.08Å; M489-Y530 HydrophobicContact CE-CE1 3.49Å; M489-Y530 VanDerWaalsContact CE-CE1 3.49Å; M489-Y530 HydrophobicContact CE-CG 3.82Å; M489-Y530 HydrophobicContact SD-CD1 3.51Å; M489-Y530 VanDerWaalsContact SD-CD1 3.51Å; M489-Y530 HydrophobicContact SD-CE1 3.83Å; M489-Y533 HydrophobicContact CB-CD1 4.42Å; M489-Y533 HydrophobicContact CB-CE1 4.23Å; M489-Y533 HydrophobicContact CE-CD1 3.92Å; M489-Y533 HydrophobicContact CG-CD1 3.7Å; M489-Y533 HydrophobicContact CG-CE1 3.69Å; M489-Y533 HydrophobicContact CG-CG 4.21Å; M489-Y533 HydrophobicContact SD-CD1 3.72Å; M489-Y533 HydrophobicContact SD-CE1 4.34Å; M489-Y533 HydrophobicContact SD-CG 3.94Å
490E85.9Confident83.6Confident101 Ų10154.3 Ų54.347%0.47227%0.274SS..Hα-helixtrans-61.1-40.2175.4-170.7-173.2160.300111A486 S487 Q493 K494A486-E490 PolarHBondContact O-N 2.62Å; A486-E490 VanDerWaalsContact O-N 3.11Å; S487-E490 PolarHBondContact O-N 2.71Å; E490-Q493 PolarHBondContact O-N 2.75Å; E490-K494 WeakPolarHBondContact O-CG 3.35Å; E490-K494 PolarHBondContact O-N 2.98Å; E490-K494 VanDerWaalsContact OE1-CE 3.23Å; E490-K494 WeakPolarHBondContact OE1-CE 3.49Å; E490-K494 IonicContact OE1-NZ 2.68Å; E490-K494 PolarHBondContact OE1-NZ 3.22Å
491T85Confident83.6Confident11 Ų1151.9 Ų51.97%0.06726%0.261CS..Hα-helixtrans-62.8-44.2174.6-56.90000112.3I155 I156 L466 S487 A488 M489 Q493 K494 Y495I155-T491 HydrophobicContact CG2-CG2 4.1Å; I156-T491 HydrophobicContact CD1-CG2 3.4Å; I156-T491 HydrophobicContact CG1-CG2 3.49Å; I156-T491 VanDerWaalsContact CG1-CG2 3.49Å; L466-T491 HydrophobicContact CD2-CG2 3.52Å; S487-T491 PolarHBondContact O-N 2.97Å; S487-T491 PolarHBondContact O-OG1 2.94Å; S487-T491 VanDerWaalsContact O-OG1 3.06Å; A488-T491 WeakPolarHBondContact O-CB 3.48Å; A488-T491 PolarHBondContact O-N 3.15Å; M489-T491 VanDerWaalsContact C-N 3.28Å; M489-T491 PolarHBondContact O-N 3Å; T491-Q493 VanDerWaalsContact C-N 3.34Å; T491-Q493 PolarHBondContact O-N 3.36Å; T491-K494 PolarHBondContact O-N 2.57Å; T491-Y495 WeakPolarHBondContact O-CB 3.35Å; T491-Y495 PolarHBondContact O-N 3.31Å
492L86.8Confident83.6Confident1 Ų154.2 Ų54.21%0.00528%0.275CS..Hα-helixtrans-61.1-42.6177.2-75171000111.6L463 L466 L467 F470 A488 M489 Y495 E496 L526 A529 Y530L463-L492 HydrophobicContact CD1-CD2 4.02Å; L466-L492 HydrophobicContact CB-CD2 3.66Å; L466-L492 HydrophobicContact CD1-CD2 4.37Å; L467-L492 HydrophobicContact CD2-CD1 4.34Å; L467-L492 HydrophobicContact CD2-CD2 4.28Å; L467-L492 HydrophobicContact CG-CD2 4.49Å; F470-L492 HydrophobicContact CB-CD1 4.18Å; F470-L492 HydrophobicContact CD2-CD1 3.97Å; F470-L492 HydrophobicContact CG-CD1 4.09Å; A488-L492 WeakPolarHBondContact O-CG 3.36Å; A488-L492 PolarHBondContact O-N 3.48Å; M489-L492 PolarHBondContact O-N 3.04Å; L492-Y495 PolarHBondContact O-N 2.91Å; L492-E496 PolarHBondContact O-N 3.37Å; L492-L526 HydrophobicContact CB-CD2 4.22Å; L492-L526 HydrophobicContact CD2-CD2 3.89Å; L492-A529 HydrophobicContact CD1-CB 4.33Å; L492-Y530 HydrophobicContact CB-CE1 4.14Å
493Q86.9Confident83.2Confident92 Ų9252.1 Ų52.143%0.4327%0.265SS..Hα-helixtrans-63.7-45.1176.5-72.1178.8-19.100112.1M489 E490 T491 Y495 E496 E497 Y530M489-Q493 HydrophobicContact CE-CG 4.35Å; M489-Q493 WeakPolarHBondContact O-CG 3.46Å; M489-Q493 PolarHBondContact O-N 3.01Å; E490-Q493 PolarHBondContact O-N 2.75Å; T491-Q493 VanDerWaalsContact C-N 3.34Å; T491-Q493 PolarHBondContact O-N 3.36Å; Q493-Y495 VanDerWaalsContact C-N 3.33Å; Q493-Y495 PolarHBondContact O-N 3.39Å; Q493-E496 WeakPolarHBondContact O-CB 3Å; Q493-E496 PolarHBondContact O-N 3.42Å; Q493-E497 WeakPolarHBondContact O-CG 3.44Å; Q493-E497 PolarHBondContact O-N 2.8Å; Q493-Y530 WeakPolarHBondContact CA-OH 3.44Å; Q493-Y530 HydrophobicContact CG-CE1 4.1Å
494K86.3Confident82.9Confident78 Ų7846.3 Ų46.334%0.33924%0.241SC..Hα-helixtrans-62.8-40.2174.9-73.7177.7-173.9166.30112I155 E490 T491 E496 E497 C498I155-K494 HydrophobicContact CG2-CB 3.93Å; E490-K494 WeakPolarHBondContact O-CG 3.35Å; E490-K494 PolarHBondContact O-N 2.98Å; E490-K494 VanDerWaalsContact OE1-CE 3.23Å; E490-K494 WeakPolarHBondContact OE1-CE 3.49Å; E490-K494 IonicContact OE1-NZ 2.68Å; E490-K494 PolarHBondContact OE1-NZ 3.22Å; T491-K494 PolarHBondContact O-N 2.57Å; K494-E496 VanDerWaalsContact C-N 3.34Å; K494-E497 PolarHBondContact O-N 3.15Å; K494-C498 VanDerWaalsContact O-CB 3.31Å; K494-C498 WeakPolarHBondContact O-CB 3.27Å; K494-C498 PolarHBondContact O-N 2.81Å; K494-C498 PolarHBondContact O-SG 2.82Å; K494-C498 VanDerWaalsContact O-SG 3.4Å
495Y86.3Confident82.6Confident0 Ų045.5 Ų45.50%024%0.243CC..Hα-helixtrans-63.5-41.4176.7-175.1-95.9000111.9L150 I155 A459 V462 L463 L466 T491 L492 Q493 E497 R499 L500L150-Y495 HydrophobicContact CD2-CD2 4.02Å; L150-Y495 HydrophobicContact CD2-CE2 4.38Å; I155-Y495 HydrophobicContact CD1-CD2 3.75Å; I155-Y495 HydrophobicContact CD1-CE2 4.47Å; A459-Y495 WeakPolarHBondContact CA-OH 3.15Å; A459-Y495 PolarHBondContact O-OH 2.87Å; A459-Y495 VanDerWaalsContact O-OH 3.14Å; V462-Y495 HydrophobicContact CB-CE2 4.02Å; V462-Y495 HydrophobicContact CG1-CD2 4.03Å; V462-Y495 HydrophobicContact CG1-CE2 3.32Å; L463-Y495 HydrophobicContact CB-CE1 4.07Å; L463-Y495 HydrophobicContact CD1-CD1 4.16Å; L463-Y495 HydrophobicContact CD1-CE1 4.26Å; L466-Y495 HydrophobicContact CD1-CD1 4Å; L466-Y495 HydrophobicContact CD1-CD2 3.75Å; L466-Y495 HydrophobicContact CD1-CE2 4.37Å; L466-Y495 HydrophobicContact CD1-CG 3.56Å; T491-Y495 WeakPolarHBondContact O-CB 3.35Å; T491-Y495 PolarHBondContact O-N 3.31Å; L492-Y495 PolarHBondContact O-N 2.91Å; Q493-Y495 VanDerWaalsContact C-N 3.33Å; Q493-Y495 PolarHBondContact O-N 3.39Å; Y495-E497 VanDerWaalsContact C-N 3.34Å; Y495-E497 PolarHBondContact O-N 2.98Å; Y495-R499 HydrophobicContact CD2-CB 4.17Å; Y495-R499 HydrophobicContact CE2-CB 3.87Å; Y495-R499 HydrophobicContact CE2-CG 3.89Å; Y495-R499 WeakPolarHBondContact O-CB 3.43Å; Y495-R499 PolarHBondContact O-N 2.59Å; Y495-R499 WeakPolarHBondContact OH-CD 3.22Å; Y495-L500 HydrophobicContact CD1-CD1 3.84Å; Y495-L500 HydrophobicContact CD1-CG 4.07Å; Y495-L500 HydrophobicContact CE1-CD1 3.8Å; Y495-L500 HydrophobicContact CE1-CD2 4.16Å; Y495-L500 HydrophobicContact CE1-CG 3.74Å; Y495-L500 PolarHBondContact O-N 2.65Å
496E86.1Confident82Confident38 Ų3850.1 Ų50.118%0.17826%0.263CS..Iπ-helixtrans-58.1-46.9173.1-171.4-168156.400111.5L492 Q493 K494 L500 K501 Y523 L526 Y530L492-E496 PolarHBondContact O-N 3.37Å; Q493-E496 WeakPolarHBondContact O-CB 3Å; Q493-E496 PolarHBondContact O-N 3.42Å; K494-E496 VanDerWaalsContact C-N 3.34Å; E496-L500 PolarHBondContact O-N 3.21Å; E496-K501 WeakPolarHBondContact O-CG 3.3Å; E496-K501 PolarHBondContact O-N 2.87Å; E496-Y523 HydrophobicContact CG-CE1 4.24Å; E496-L526 HydrophobicContact CB-CD1 4.11Å; E496-L526 HydrophobicContact CG-CD1 4.01Å; E496-Y530 WeakPolarHBondContact OE2-CE2 3.36Å; E496-Y530 VanDerWaalsContact OE2-CZ 3.31Å; E496-Y530 PolarHBondContact OE2-OH 3.44Å
497E83.7Confident81.2Confident118 Ų11848.7 Ų48.755%0.55125%0.251SS*.Iπ-helixtrans-70.3-44-177.8-71-172160.600114.1Q493 K494 Y495 K501 P502Q493-E497 WeakPolarHBondContact O-CG 3.44Å; Q493-E497 PolarHBondContact O-N 2.8Å; K494-E497 PolarHBondContact O-N 3.15Å; Y495-E497 VanDerWaalsContact C-N 3.34Å; Y495-E497 PolarHBondContact O-N 2.98Å; E497-K501 HydrophobicContact CG-CD 4.43Å; E497-K501 IonicContact OE1-NZ 3.68Å; E497-P502 WeakPolarHBondContact O-CD 3.42Å
498C81.6Confident80.5Confident76 Ų7651.6 Ų51.651%0.51427%0.266SS..Iπ-helixtrans-83.3-28.3-173.1-67.40000113.3I155 K494 P502I155-C498 HydrophobicContact CD1-CB 4.17Å; I155-C498 HydrophobicContact CG1-CB 4.12Å; K494-C498 VanDerWaalsContact O-CB 3.31Å; K494-C498 WeakPolarHBondContact O-CB 3.27Å; K494-C498 PolarHBondContact O-N 2.81Å; K494-C498 PolarHBondContact O-SG 2.82Å; K494-C498 VanDerWaalsContact O-SG 3.4Å; C498-P502 WeakPolarHBondContact O-CG 3.26Å
499R77.7Confident79.6Confident39 Ų3956.1 Ų56.115%0.14729%0.293CS..Iπ-helixtrans-124.2-47.8-167.2-148.8-78.3-164.8-152.14.8112.6D455 S458 A459 Y495 L503D455-R499 VanDerWaalsContact O-CZ 3.25Å; D455-R499 PolarHBondContact O-NH1 3.37Å; D455-R499 PolarHBondContact O-NH2 3.08Å; S458-R499 PolarHBondContact OG-NH2 2.94Å; A459-R499 VanDerWaalsContact CB-CZ 3.45Å; A459-R499 VanDerWaalsContact N-NH2 3.1Å; Y495-R499 HydrophobicContact CD2-CB 4.17Å; Y495-R499 HydrophobicContact CE2-CB 3.87Å; Y495-R499 HydrophobicContact CE2-CG 3.89Å; Y495-R499 WeakPolarHBondContact O-CB 3.43Å; Y495-R499 PolarHBondContact O-N 2.59Å; Y495-R499 WeakPolarHBondContact OH-CD 3.22Å; R499-L503 VanDerWaalsContact O-CB 3.22Å; R499-L503 WeakPolarHBondContact O-CB 3.3Å; R499-L503 PolarHBondContact O-N 2.88Å
500L78.7Confident78.5Confident1 Ų159.5 Ų59.51%0.00531%0.311CS..Iπ-helixtrans-78.8-42.6-176.6-65.8168.9000113.1A459 L463 Y495 E496 L503 S504 L522 Y523 L526A459-L500 HydrophobicContact CB-CD2 4.33Å; L463-L500 HydrophobicContact CD2-CD1 4.43Å; Y495-L500 HydrophobicContact CD1-CD1 3.84Å; Y495-L500 HydrophobicContact CD1-CG 4.07Å; Y495-L500 HydrophobicContact CE1-CD1 3.8Å; Y495-L500 HydrophobicContact CE1-CD2 4.16Å; Y495-L500 HydrophobicContact CE1-CG 3.74Å; Y495-L500 PolarHBondContact O-N 2.65Å; E496-L500 PolarHBondContact O-N 3.21Å; L500-L503 PolarHBondContact O-N 3.34Å; L500-S504 VanDerWaalsContact O-CB 3.25Å; L500-S504 WeakPolarHBondContact O-CB 3.28Å; L500-S504 PolarHBondContact O-N 3.19Å; L500-L522 HydrophobicContact CD2-CB 4.35Å; L500-L522 HydrophobicContact CD2-CD1 3.81Å; L500-Y523 PolarHBondContact O-OH 2.81Å; L500-L526 HydrophobicContact CD1-CD1 3.3Å; L500-L526 HydrophobicContact CD1-CG 4.39Å
501K81Confident76.9Confident82 Ų8261.7 Ų61.736%0.35732%0.321SS..Hα-helixtrans-60.7-46.4176.1-72180-167.8172.30112.2E496 E497 S504 N505E496-K501 WeakPolarHBondContact O-CG 3.3Å; E496-K501 PolarHBondContact O-N 2.87Å; E497-K501 HydrophobicContact CG-CD 4.43Å; E497-K501 IonicContact OE1-NZ 3.68Å; K501-S504 PolarHBondContact O-N 2.95Å; K501-N505 WeakPolarHBondContact O-CB 3.29Å; K501-N505 PolarHBondContact O-N 2.95Å; K501-N505 PolarHBondContact O-ND2 3.43Å
502P79.7Confident75.3Confident65 Ų6567.6 Ų67.642%0.42236%0.364SS..Hα-helixtrans-63.4-41175.1-26.238.2000113E497 C498 N505 F506E497-P502 WeakPolarHBondContact O-CD 3.42Å; C498-P502 WeakPolarHBondContact O-CG 3.26Å; P502-N505 PolarHBondContact O-N 2.79Å; P502-F506 WeakPolarHBondContact O-CB 3.25Å; P502-F506 PolarHBondContact O-N 3.39Å
503L74.6Confident73.4Confident14 Ų1469.7 Ų69.77%0.07338%0.381CS..Hα-helixtrans-64-44.7176.9-17173.6000111.4L452 D455 I456 A459 R499 L500 F506 C507L452-L503 HydrophobicContact CD1-CD1 4.49Å; D455-L503 HydrophobicContact CB-CD1 4.05Å; I456-L503 HydrophobicContact CG1-CD2 4.04Å; A459-L503 HydrophobicContact CB-CD2 3.84Å; R499-L503 VanDerWaalsContact O-CB 3.22Å; R499-L503 WeakPolarHBondContact O-CB 3.3Å; R499-L503 PolarHBondContact O-N 2.88Å; L500-L503 PolarHBondContact O-N 3.34Å; L503-F506 PolarHBondContact O-N 3.35Å; L503-C507 PolarHBondContact O-N 2.96Å; L503-C507 PolarHBondContact O-SG 3.47Å
504S76.4Confident71.4Confident29 Ų2967.5 Ų67.520%0.20338%0.379CS..Hα-helixtrans-61-45.1175.9-175.30000111.3L500 K501 F506 C507 V508L500-S504 VanDerWaalsContact O-CB 3.25Å; L500-S504 WeakPolarHBondContact O-CB 3.28Å; L500-S504 PolarHBondContact O-N 3.19Å; K501-S504 PolarHBondContact O-N 2.95Å; S504-F506 VanDerWaalsContact C-N 3.34Å; S504-F506 PolarHBondContact O-N 3Å; S504-C507 PolarHBondContact O-N 3.49Å; S504-V508 VanDerWaalsContact O-CG2 3.29Å; S504-V508 WeakPolarHBondContact O-CG2 3.4Å; S504-V508 PolarHBondContact O-N 3.14Å
505N75.9Confident69.6Low104 Ų10466.6 Ų66.656%0.55639%0.391SS*.Hα-helixtrans-62.4-43177.2-72.4-24.8000111.2K501 P502 C507 V508 T509K501-N505 WeakPolarHBondContact O-CB 3.29Å; K501-N505 PolarHBondContact O-N 2.95Å; K501-N505 PolarHBondContact O-ND2 3.43Å; P502-N505 PolarHBondContact O-N 2.79Å; N505-C507 VanDerWaalsContact C-N 3.33Å; N505-C507 PolarHBondContact O-N 3.11Å; N505-V508 PolarHBondContact O-N 3.3Å; N505-T509 WeakPolarHBondContact O-CG2 3.27Å; N505-T509 PolarHBondContact O-N 2.87Å; N505-T509 PolarHBondContact O-OG1 2.88Å; N505-T509 VanDerWaalsContact O-OG1 3.13Å
506F71.6Confident68Low98 Ų9874.3 Ų74.343%0.4343%0.428SS..Hα-helixtrans-61.3-40.8176.9-173.5-100.1000112.1L452 P502 L503 S504 T509 N510L452-F506 HydrophobicContact CD1-CD1 3.85Å; L452-F506 HydrophobicContact CD1-CE1 3.98Å; P502-F506 WeakPolarHBondContact O-CB 3.25Å; P502-F506 PolarHBondContact O-N 3.39Å; L503-F506 PolarHBondContact O-N 3.35Å; S504-F506 VanDerWaalsContact C-N 3.34Å; S504-F506 PolarHBondContact O-N 3Å; F506-T509 WeakPolarHBondContact CA-OG1 3.49Å; F506-T509 PolarHBondContact O-N 3.49Å; F506-T509 PolarHBondContact O-OG1 2.95Å; F506-N510 WeakPolarHBondContact CE1-ND2 3.49Å; F506-N510 WeakPolarHBondContact CE2-ND2 3.48Å; F506-N510 WeakPolarHBondContact CZ-ND2 3.27Å; F506-N510 WeakPolarHBondContact O-CB 3.45Å; F506-N510 PolarHBondContact O-N 2.81Å; F506-N510 VanDerWaalsContact O-N 3.14Å
507C68.3Low66.6Low11 Ų1175.1 Ų75.17%0.07443%0.432CS..Hα-helixtrans-67.2-39.1176.6-64.60000112.5L503 S504 N505 T509 I519L503-C507 PolarHBondContact O-N 2.96Å; L503-C507 PolarHBondContact O-SG 3.47Å; S504-C507 PolarHBondContact O-N 3.49Å; N505-C507 VanDerWaalsContact C-N 3.33Å; N505-C507 PolarHBondContact O-N 3.11Å; C507-T509 VanDerWaalsContact C-N 3.31Å; C507-T509 PolarHBondContact O-N 3Å; C507-I519 HydrophobicContact CB-CD1 3.76Å; C507-I519 WeakPolarHBondContact SG-CD1 3.4Å
508V68.8Low65.6Low107 Ų10770.7 Ų70.765%0.64842%0.419SS*.Hα-helixtrans-66.2-34.7175.51730000111.3S504 N505S504-V508 VanDerWaalsContact O-CG2 3.29Å; S504-V508 WeakPolarHBondContact O-CG2 3.4Å; S504-V508 PolarHBondContact O-N 3.14Å; N505-V508 PolarHBondContact O-N 3.3Å
509T65.5Low65.1Low102 Ų10267.8 Ų67.863%0.62640%0.397SS*.Hα-helixtrans-76.7-26.4-179.951.30000114.5N505 F506 C507N505-T509 WeakPolarHBondContact O-CG2 3.27Å; N505-T509 PolarHBondContact O-N 2.87Å; N505-T509 PolarHBondContact O-OG1 2.88Å; N505-T509 VanDerWaalsContact O-OG1 3.13Å; F506-T509 WeakPolarHBondContact CA-OG1 3.49Å; F506-T509 PolarHBondContact O-N 3.49Å; F506-T509 PolarHBondContact O-OG1 2.95Å; C507-T509 VanDerWaalsContact C-N 3.31Å; C507-T509 PolarHBondContact O-N 3Å
510N61.7Low64.8Low82 Ų8272.3 Ų72.344%0.43942%0.421SS..SBendtrans-106.846-169.9-74.3-20.8000114.7F506F506-N510 WeakPolarHBondContact CE1-ND2 3.49Å; F506-N510 WeakPolarHBondContact CE2-ND2 3.48Å; F506-N510 WeakPolarHBondContact CZ-ND2 3.27Å; F506-N510 WeakPolarHBondContact O-CB 3.45Å; F506-N510 PolarHBondContact O-N 2.81Å; F506-N510 VanDerWaalsContact O-N 3.14Å
511E53.6Low64.7Low147 Ų14775.8 Ų75.869%0.68744%0.439SS*.  trans93.1116.7164.5-50.4-178.1156.200118.7A513E511-A513 VanDerWaalsContact C-N 3.33Å; E511-A513 PolarHBondContact O-N 3.3Å
512S49.7Very low64.7Low136 Ų13671.9 Ų71.995%0.95142%0.422SS*.SBendtrans38-2137.9-1470000124.9
513A47.7Very low64.8Low45 Ų4571.8 Ų71.837%0.37241%0.414SS..  trans-132.923.7179.300000114E511 G515 E516E511-A513 VanDerWaalsContact C-N 3.33Å; E511-A513 PolarHBondContact O-N 3.3Å; A513-G515 PolarHBondContact O-N 2.9Å; A513-E516 PolarHBondContact O-N 3.37Å; A513-E516 VanDerWaalsContact O-N 3.08Å
514A44.2Very low65.2Low46 Ų4674.8 Ų74.838%0.3844%0.436SS..THydrogen-bonded Turntrans-57.9-16.3-175.700000114.7
515G49Very low65.6Low59 Ų5975 Ų7561%0.60844%0.437SS*.THydrogen-bonded Turntrans-77.7-14.5177.300000115.4A513A513-G515 PolarHBondContact O-N 2.9Å
516E52.5Low66Low162 Ų16270.1 Ų70.176%0.75741%0.411SS*.THydrogen-bonded Turntrans-102.4-8.5-179.3-72.3-175.1168.400113.5A513A513-E516 PolarHBondContact O-N 3.37Å; A513-E516 VanDerWaalsContact O-N 3.08Å
517I57Low66.7Low55 Ų5573 Ų7328%0.28242%0.423SS..SBendtrans-104.8111.7-174.5-45.7175.3000106.6I456 I519I456-I517 HydrophobicContact CD1-CG2 3.26Å; I517-I519 PolarHBondContact O-N 2.78Å
518G62.5Low67.5Low25 Ų2577.4 Ų77.426%0.25844%0.444SS..THydrogen-bonded Turntrans-58.337.2-162.100000119.8
519I70.7Confident68.2Low14 Ų1472.3 Ų72.37%0.07241%0.413CS..Hα-helixtrans-71.1-33.9170.8-64.7173000110.5I456 C507 I517 D521 L522 Y523I456-I519 HydrophobicContact CD1-CD1 3.94Å; I456-I519 HydrophobicContact CD1-CG1 4.14Å; I456-I519 HydrophobicContact CG1-CD1 4.34Å; I456-I519 HydrophobicContact CG1-CG1 4.36Å; C507-I519 HydrophobicContact CB-CD1 3.76Å; C507-I519 WeakPolarHBondContact SG-CD1 3.4Å; I517-I519 PolarHBondContact O-N 2.78Å; I519-D521 PolarHBondContact O-N 2.83Å; I519-L522 WeakPolarHBondContact O-CB 3.37Å; I519-L522 PolarHBondContact O-N 2.83Å; I519-L522 VanDerWaalsContact O-N 3.15Å; I519-Y523 HydrophobicContact CG2-CD2 3.83Å; I519-Y523 HydrophobicContact CG2-CE2 3.7Å; I519-Y523 WeakPolarHBondContact O-CD2 3.22Å; I519-Y523 PolarHBondContact O-N 2.79Å; I519-Y523 VanDerWaalsContact O-N 3.12Å
520E72.5Confident69.3Low135 Ų13569.1 Ų69.163%0.63139%0.39SS*.Hα-helixtrans-59.8-37174-65-169.6174.600111.6L522 Y523 S524E520-L522 PolarHBondContact O-N 2.72Å; E520-Y523 PolarHBondContact O-N 2.82Å; E520-S524 WeakPolarHBondContact O-CB 3.21Å; E520-S524 PolarHBondContact O-N 2.81Å
521D77Confident70.5Confident73 Ų7368 Ų6839%0.3939%0.388SS..Hα-helixtrans-63.3-40.5175.7-65.3-25000111.6I519 S524 C525I519-D521 PolarHBondContact O-N 2.83Å; D521-S524 WeakPolarHBondContact O-CB 3.3Å; D521-S524 PolarHBondContact O-N 2.68Å; D521-C525 PolarHBondContact O-N 2.91Å; D521-C525 PolarHBondContact O-SG 3.37Å
522L79.6Confident72.1Confident0 Ų066.3 Ų66.30%038%0.378CS..Hα-helixtrans-62.2-45.2176.1-61.2175.4000111.2A459 H460 L463 L500 I519 E520 C525 L526A459-L522 HydrophobicContact CB-CD1 4.08Å; H460-L522 HydrophobicContact CB-CD2 3.95Å; H460-L522 VanDerWaalsContact CD2-CD2 3.5Å; H460-L522 WeakPolarHBondContact CD2-CD2 3.1Å; L463-L522 HydrophobicContact CB-CD2 4.37Å; L463-L522 HydrophobicContact CD2-CB 3.74Å; L463-L522 HydrophobicContact CD2-CD2 3.59Å; L463-L522 HydrophobicContact CD2-CG 4.25Å; L500-L522 HydrophobicContact CD2-CB 4.35Å; L500-L522 HydrophobicContact CD2-CD1 3.81Å; I519-L522 WeakPolarHBondContact O-CB 3.37Å; I519-L522 PolarHBondContact O-N 2.83Å; I519-L522 VanDerWaalsContact O-N 3.15Å; E520-L522 PolarHBondContact O-N 2.72Å; L522-C525 PolarHBondContact O-N 3.32Å; L522-L526 PolarHBondContact O-N 3.06Å
523Y83.2Confident73.8Confident64 Ų6461.1 Ų61.125%0.25134%0.338SS..Hα-helixtrans-66.8-36.3175.9-81.9-73000112.5E496 L500 I519 E520 L526 K527E496-Y523 HydrophobicContact CG-CE1 4.24Å; L500-Y523 PolarHBondContact O-OH 2.81Å; I519-Y523 HydrophobicContact CG2-CD2 3.83Å; I519-Y523 HydrophobicContact CG2-CE2 3.7Å; I519-Y523 WeakPolarHBondContact O-CD2 3.22Å; I519-Y523 PolarHBondContact O-N 2.79Å; I519-Y523 VanDerWaalsContact O-N 3.12Å; E520-Y523 PolarHBondContact O-N 2.82Å; Y523-L526 PolarHBondContact O-N 3.32Å; Y523-K527 WeakPolarHBondContact O-CB 3.41Å; Y523-K527 PolarHBondContact O-N 2.95Å
524S83Confident75.7Confident77 Ų7764.2 Ų64.254%0.53835%0.345SS..Hα-helixtrans-62-45.8174.6-172.40000111.3E520 D521 L526 K527 M528E520-S524 WeakPolarHBondContact O-CB 3.21Å; E520-S524 PolarHBondContact O-N 2.81Å; D521-S524 WeakPolarHBondContact O-CB 3.3Å; D521-S524 PolarHBondContact O-N 2.68Å; S524-L526 PolarHBondContact O-N 3.13Å; S524-K527 PolarHBondContact O-N 2.93Å; S524-M528 PolarHBondContact O-N 2.87Å
525C83.1Confident77.7Confident33 Ų3365.6 Ų65.622%0.22335%0.346CS..Hα-helixtrans-61.3-43.6176.6-67.60000112.2M464 L467 D521 L522 M528 A529M464-C525 HydrophobicContact CE-CB 4.29Å; L467-C525 HydrophobicContact CD1-CB 3.66Å; D521-C525 PolarHBondContact O-N 2.91Å; D521-C525 PolarHBondContact O-SG 3.37Å; L522-C525 PolarHBondContact O-N 3.32Å; C525-M528 PolarHBondContact O-N 2.82Å; C525-A529 PolarHBondContact O-N 3.16Å; C525-A529 VanDerWaalsContact O-N 3.14Å
526L84.6Confident79.5Confident2 Ų265.4 Ų65.41%0.0133%0.327CS..Hα-helixtrans-62.1-46.4174.5-82.6176.7000112.4L463 L492 E496 L500 L522 Y523 S524 M528 A529 Y530L463-L526 HydrophobicContact CD1-CD1 4.45Å; L463-L526 HydrophobicContact CD1-CD2 3.65Å; L463-L526 HydrophobicContact CD1-CG 3.91Å; L463-L526 HydrophobicContact CD2-CG 4.23Å; L492-L526 HydrophobicContact CB-CD2 4.22Å; L492-L526 HydrophobicContact CD2-CD2 3.89Å; E496-L526 HydrophobicContact CB-CD1 4.11Å; E496-L526 HydrophobicContact CG-CD1 4.01Å; L500-L526 HydrophobicContact CD1-CD1 3.3Å; L500-L526 HydrophobicContact CD1-CG 4.39Å; L522-L526 PolarHBondContact O-N 3.06Å; Y523-L526 PolarHBondContact O-N 3.32Å; S524-L526 PolarHBondContact O-N 3.13Å; L526-M528 PolarHBondContact O-N 2.84Å; L526-A529 PolarHBondContact O-N 2.81Å; L526-A529 VanDerWaalsContact O-N 3.12Å; L526-Y530 HydrophobicContact CB-CE2 4.31Å; L526-Y530 HydrophobicContact CD2-CE1 4.4Å; L526-Y530 VanDerWaalsContact O-CG 3.25Å; L526-Y530 PolarHBondContact O-N 2.91Å
527K86.3Confident81Confident157 Ų15760.5 Ų60.568%0.68330%0.304SS*.Hα-helixtrans-60.1-37.1179-172.5178.8-179.7-178.60111.7Y523 S524 S531Y523-K527 WeakPolarHBondContact O-CB 3.41Å; Y523-K527 PolarHBondContact O-N 2.95Å; S524-K527 PolarHBondContact O-N 2.93Å; K527-S531 VanDerWaalsContact O-CB 3.28Å; K527-S531 WeakPolarHBondContact O-CB 3.28Å; K527-S531 PolarHBondContact O-N 2.89Å
528M84.9Confident82.3Confident104 Ų10463.1 Ų63.151%0.51232%0.315SS..Hα-helixtrans-65.2-44.3174.9-177.4168.854.800112W471 S524 C525 L526 S531 K532W471-M528 HydrophobicContact CH2-CG 4.4Å; W471-M528 HydrophobicContact CZ2-CG 4.26Å; S524-M528 PolarHBondContact O-N 2.87Å; C525-M528 PolarHBondContact O-N 2.82Å; L526-M528 PolarHBondContact O-N 2.84Å; M528-S531 PolarHBondContact O-N 3.41Å; M528-K532 WeakPolarHBondContact O-CB 3.35Å; M528-K532 PolarHBondContact O-N 2.94Å
529A84.7Confident83.3Confident0 Ų070.6 Ų70.60%034%0.335CS..Hα-helixtrans-62.1-45.9175.500000111.7L467 F470 W471 L492 C525 L526 K532 Y533L467-A529 HydrophobicContact CD2-CB 3.64Å; F470-A529 HydrophobicContact CD1-CB 4.08Å; F470-A529 HydrophobicContact CE1-CB 3.73Å; F470-A529 HydrophobicContact CZ-CB 4.1Å; F470-A529 WeakPolarHBondContact CZ-O 3.29Å; W471-A529 HydrophobicContact CZ2-CB 4.28Å; L492-A529 HydrophobicContact CD1-CB 4.33Å; C525-A529 PolarHBondContact O-N 3.16Å; C525-A529 VanDerWaalsContact O-N 3.14Å; L526-A529 PolarHBondContact O-N 2.81Å; L526-A529 VanDerWaalsContact O-N 3.12Å; A529-K532 PolarHBondContact O-N 3.29Å; A529-Y533 PolarHBondContact O-N 2.88Å
530Y88.3Confident83.7Confident36 Ų3673 Ų7314%0.14135%0.345CS..Hα-helixtrans-61.2-47.5176.9-64.1-17.2000112M489 L492 Q493 E496 L526 K532 Y533 E534M489-Y530 HydrophobicContact CE-CD1 3.08Å; M489-Y530 HydrophobicContact CE-CE1 3.49Å; M489-Y530 VanDerWaalsContact CE-CE1 3.49Å; M489-Y530 HydrophobicContact CE-CG 3.82Å; M489-Y530 HydrophobicContact SD-CD1 3.51Å; M489-Y530 VanDerWaalsContact SD-CD1 3.51Å; M489-Y530 HydrophobicContact SD-CE1 3.83Å; L492-Y530 HydrophobicContact CB-CE1 4.14Å; Q493-Y530 WeakPolarHBondContact CA-OH 3.44Å; Q493-Y530 HydrophobicContact CG-CE1 4.1Å; E496-Y530 WeakPolarHBondContact OE2-CE2 3.36Å; E496-Y530 VanDerWaalsContact OE2-CZ 3.31Å; E496-Y530 PolarHBondContact OE2-OH 3.44Å; L526-Y530 HydrophobicContact CB-CE2 4.31Å; L526-Y530 HydrophobicContact CD2-CE1 4.4Å; L526-Y530 VanDerWaalsContact O-CG 3.25Å; L526-Y530 PolarHBondContact O-N 2.91Å; Y530-K532 VanDerWaalsContact C-N 3.3Å; Y530-K532 PolarHBondContact O-N 3.14Å; Y530-Y533 PolarHBondContact O-N 3.14Å; Y530-E534 WeakPolarHBondContact O-CG 3.26Å; Y530-E534 PolarHBondContact O-N 2.88Å
531S86.9Confident84.1Confident57 Ų5773.9 Ų73.940%0.39934%0.343SS..Hα-helixtrans-60.3-40.5176.9-175.50000111.6K527 M528 N535K527-S531 VanDerWaalsContact O-CB 3.28Å; K527-S531 WeakPolarHBondContact O-CB 3.28Å; K527-S531 PolarHBondContact O-N 2.89Å; M528-S531 PolarHBondContact O-N 3.41Å; S531-N535 VanDerWaalsContact O-CB 3.26Å; S531-N535 WeakPolarHBondContact O-CB 3.49Å; S531-N535 PolarHBondContact O-N 2.75Å; S531-N535 PolarHBondContact O-ND2 3.15Å; S531-N535 PolarHBondContact OG-ND2 3.44Å
532K86.4Confident84.1Confident112 Ų11274.9 Ų74.949%0.48735%0.352SS..Hα-helixtrans-64.6-44.3177-164.279.8176.6-168.50111.8W471 M528 A529 Y530 N535 W536W471-K532 HydrophobicContact CH2-CB 3.78Å; W471-K532 HydrophobicContact CH2-CD 4.33Å; W471-K532 HydrophobicContact CH2-CG 3.9Å; W471-K532 HydrophobicContact CZ3-CB 4.1Å; W471-K532 HydrophobicContact CZ3-CD 4.17Å; W471-K532 HydrophobicContact CZ3-CG 3.71Å; M528-K532 WeakPolarHBondContact O-CB 3.35Å; M528-K532 PolarHBondContact O-N 2.94Å; A529-K532 PolarHBondContact O-N 3.29Å; Y530-K532 VanDerWaalsContact C-N 3.3Å; Y530-K532 PolarHBondContact O-N 3.14Å; K532-N535 PolarHBondContact O-N 2.83Å; K532-W536 WeakPolarHBondContact O-CB 3.13Å; K532-W536 PolarHBondContact O-N 2.94Å
533Y86.4Confident83.7Confident27 Ų2781.6 Ų81.611%0.10638%0.383CS..Hα-helixtrans-63.8-45.8178.5-176.9-111.4000111.8F470 F474 V485 M489 A529 Y530 W536 Q537F470-Y533 HydrophobicContact CE2-CD2 4.49Å; F474-Y533 HydrophobicContact CZ-CD2 4.15Å; V485-Y533 HydrophobicContact CG1-CD2 3.6Å; V485-Y533 HydrophobicContact CG1-CE2 3.61Å; M489-Y533 HydrophobicContact CB-CD1 4.42Å; M489-Y533 HydrophobicContact CB-CE1 4.23Å; M489-Y533 HydrophobicContact CE-CD1 3.92Å; M489-Y533 HydrophobicContact CG-CD1 3.7Å; M489-Y533 HydrophobicContact CG-CE1 3.69Å; M489-Y533 HydrophobicContact CG-CG 4.21Å; M489-Y533 HydrophobicContact SD-CD1 3.72Å; M489-Y533 HydrophobicContact SD-CE1 4.34Å; M489-Y533 HydrophobicContact SD-CG 3.94Å; A529-Y533 PolarHBondContact O-N 2.88Å; Y530-Y533 PolarHBondContact O-N 3.14Å; Y533-W536 HydrophobicContact CD2-CE3 4.2Å; Y533-W536 HydrophobicContact CE2-CE3 4.09Å; Y533-W536 AromaticContact CE2-CZ3 4Å; Y533-W536 HydrophobicContact CE2-CZ3 4Å; Y533-W536 PolarHBondContact O-N 2.8Å; Y533-Q537 HydrophobicContact CD1-CG 4.34Å; Y533-Q537 VanDerWaalsContact CE1-CD 3.46Å; Y533-Q537 HydrophobicContact CE1-CG 4.04Å; Y533-Q537 HydrophobicContact CE2-CG 4.27Å; Y533-Q537 WeakPolarHBondContact O-CG 3.46Å; Y533-Q537 PolarHBondContact O-N 3.34Å; Y533-Q537 PolarHBondContact OH-NE2 2.85Å
534E87.7Confident82.9Confident110 Ų11084.3 Ų84.351%0.51440%0.402SS..Hα-helixtrans-61.3-46.8176.1-74.5-175.4170.800112Y530 W536 Q537 Q538Y530-E534 WeakPolarHBondContact O-CG 3.26Å; Y530-E534 PolarHBondContact O-N 2.88Å; E534-W536 VanDerWaalsContact C-N 3.28Å; E534-W536 PolarHBondContact O-N 3.01Å; E534-Q537 PolarHBondContact O-N 3.38Å; E534-Q538 WeakPolarHBondContact O-CG 3.48Å; E534-Q538 PolarHBondContact O-N 3.29Å
535N86.5Confident81.8Confident76 Ų7688.8 Ų88.841%0.40641%0.414SS..Hα-helixtrans-59.1-40.4176.3-79.8-47.2000111.8S531 K532 R539S531-N535 VanDerWaalsContact O-CB 3.26Å; S531-N535 WeakPolarHBondContact O-CB 3.49Å; S531-N535 PolarHBondContact O-N 2.75Å; S531-N535 PolarHBondContact O-ND2 3.15Å; S531-N535 PolarHBondContact OG-ND2 3.44Å; K532-N535 PolarHBondContact O-N 2.83Å; N535-R539 VanDerWaalsContact O-CG 3.32Å; N535-R539 WeakPolarHBondContact O-CG 3.48Å; N535-R539 PolarHBondContact O-N 3.34Å
536W85Confident80.1Confident55 Ų55100.8 Ų100.821%0.20846%0.455CS..Hα-helixtrans-67.3-44.5175.4174.782.2000112.2F474 P476 E482 K532 Y533 E534 Q538 R539 K540F474-W536 HydrophobicContact CE1-CB 3.86Å; F474-W536 HydrophobicContact CE1-CD2 4.26Å; F474-W536 AromaticContact CE1-CG 3.78Å; F474-W536 HydrophobicContact CE1-CG 3.78Å; F474-W536 HydrophobicContact CZ-CB 4.31Å; F474-W536 HydrophobicContact CZ-CG 4.35Å; P476-W536 HydrophobicContact CB-CZ2 4.34Å; P476-W536 HydrophobicContact CG-CD2 4.24Å; P476-W536 HydrophobicContact CG-CH2 4.17Å; P476-W536 HydrophobicContact CG-CZ2 3.37Å; E482-W536 HydrophobicContact CB-CH2 4.28Å; E482-W536 HydrophobicContact CG-CH2 4Å; E482-W536 HydrophobicContact CG-CZ2 3.97Å; K532-W536 WeakPolarHBondContact O-CB 3.13Å; K532-W536 PolarHBondContact O-N 2.94Å; Y533-W536 HydrophobicContact CD2-CE3 4.2Å; Y533-W536 HydrophobicContact CE2-CE3 4.09Å; Y533-W536 AromaticContact CE2-CZ3 4Å; Y533-W536 HydrophobicContact CE2-CZ3 4Å; Y533-W536 PolarHBondContact O-N 2.8Å; E534-W536 VanDerWaalsContact C-N 3.28Å; E534-W536 PolarHBondContact O-N 3.01Å; W536-Q538 VanDerWaalsContact C-N 3.32Å; W536-Q538 PolarHBondContact O-N 3.02Å; W536-R539 PolarHBondContact O-N 2.96Å; W536-K540 HydrophobicContact CH2-CD 3.99Å; W536-K540 HydrophobicContact CZ2-CD 4.01Å; W536-K540 PolarHBondContact O-N 3.08Å
537Q83.9Confident79.9Confident59 Ų59105.8 Ų105.828%0.27648%0.477SS..Hα-helixtrans-60-41.1175.6-75.8-164.5-25.600112.1Y533 E534 K540 R541Y533-Q537 HydrophobicContact CD1-CG 4.34Å; Y533-Q537 VanDerWaalsContact CE1-CD 3.46Å; Y533-Q537 HydrophobicContact CE1-CG 4.04Å; Y533-Q537 HydrophobicContact CE2-CG 4.27Å; Y533-Q537 WeakPolarHBondContact O-CG 3.46Å; Y533-Q537 PolarHBondContact O-N 3.34Å; Y533-Q537 PolarHBondContact OH-NE2 2.85Å; E534-Q537 PolarHBondContact O-N 3.38Å; Q537-K540 PolarHBondContact O-N 3.32Å; Q537-R541 WeakPolarHBondContact O-CG 3.37Å; Q537-R541 PolarHBondContact O-N 2.95Å
538Q85.3Confident79.5Confident110 Ų110103.1 Ų103.151%0.51447%0.466SS..Hα-helixtrans-64-42.7175.5-71.5178.314.300111.9E534 W536 K540 R541 T542E534-Q538 WeakPolarHBondContact O-CG 3.48Å; E534-Q538 PolarHBondContact O-N 3.29Å; W536-Q538 VanDerWaalsContact C-N 3.32Å; W536-Q538 PolarHBondContact O-N 3.02Å; Q538-K540 VanDerWaalsContact C-N 3.35Å; Q538-K540 PolarHBondContact O-N 3.35Å; Q538-R541 PolarHBondContact O-N 2.93Å; Q538-T542 WeakPolarHBondContact O-CG2 3.44Å; Q538-T542 PolarHBondContact O-N 3.12Å; Q538-T542 PolarHBondContact O-OG1 3.45Å
539R82.5Confident79.2Confident181 Ų181103 Ų10368%0.68346%0.464SS*.Hα-helixtrans-62.7-38.9174.7-74.8177.7-178.6-167.10.5112.4N535 W536 T542 Q543N535-R539 VanDerWaalsContact O-CG 3.32Å; N535-R539 WeakPolarHBondContact O-CG 3.48Å; N535-R539 PolarHBondContact O-N 3.34Å; W536-R539 PolarHBondContact O-N 2.96Å; R539-T542 VanDerWaalsContact CA-OG1 3.31Å; R539-T542 WeakPolarHBondContact CA-OG1 3.43Å; R539-T542 PolarHBondContact O-N 2.71Å; R539-T542 PolarHBondContact O-OG1 3.33Å; R539-Q543 WeakPolarHBondContact O-CG 3.49Å; R539-Q543 PolarHBondContact O-N 3.39Å
540K80.6Confident78.9Confident64 Ų64109.1 Ų109.128%0.27849%0.491SS..Hα-helixtrans-67.7-43.5176.1-174.3174.5176.4173.50112.4E482 W536 Q537 Q538 T542 Q543 N544E482-K540 WeakPolarHBondContact OE1-CE 3.39Å; E482-K540 IonicContact OE1-NZ 2.73Å; E482-K540 PolarHBondContact OE1-NZ 2.68Å; E482-K540 IonicContact OE2-NZ 2.66Å; E482-K540 PolarHBondContact OE2-NZ 3.15Å; W536-K540 HydrophobicContact CH2-CD 3.99Å; W536-K540 HydrophobicContact CZ2-CD 4.01Å; W536-K540 PolarHBondContact O-N 3.08Å; Q537-K540 PolarHBondContact O-N 3.32Å; Q538-K540 VanDerWaalsContact C-N 3.35Å; Q538-K540 PolarHBondContact O-N 3.35Å; K540-T542 VanDerWaalsContact C-N 3.31Å; K540-T542 PolarHBondContact O-N 3.14Å; K540-Q543 PolarHBondContact O-N 3.35Å; K540-N544 PolarHBondContact O-N 3.23Å
541R79.2Confident78.3Confident154 Ų154113.6 Ų113.658%0.58151%0.513SS*.Hα-helixtrans-61.3-39.4175.5-72.6179.8-169.6166.66.8112Q537 Q538 N544 H545Q537-R541 WeakPolarHBondContact O-CG 3.37Å; Q537-R541 PolarHBondContact O-N 2.95Å; Q538-R541 PolarHBondContact O-N 2.93Å; R541-N544 PolarHBondContact O-N 3.05Å; R541-H545 PolarHBondContact O-CD2 3.43Å; R541-H545 VanDerWaalsContact O-CD2 3.28Å; R541-H545 PolarHBondContact O-N 3.47Å
542T77.2Confident77.8Confident94 Ų94117.4 Ų117.458%0.57752%0.52SS*.Hα-helixtrans-71-32.4177.246.20000113Q538 R539 K540Q538-T542 WeakPolarHBondContact O-CG2 3.44Å; Q538-T542 PolarHBondContact O-N 3.12Å; Q538-T542 PolarHBondContact O-OG1 3.45Å; R539-T542 VanDerWaalsContact CA-OG1 3.31Å; R539-T542 WeakPolarHBondContact CA-OG1 3.43Å; R539-T542 PolarHBondContact O-N 2.71Å; R539-T542 PolarHBondContact O-OG1 3.33Å; K540-T542 VanDerWaalsContact C-N 3.31Å; K540-T542 PolarHBondContact O-N 3.14Å
543Q71.4Confident77.2Confident142 Ų142117.8 Ų117.866%0.66452%0.523SS*.Hα-helixtrans-70.3-36.1172.1-76.3-178.6-5.400113.1R539 K540 H545 R546R539-Q543 WeakPolarHBondContact O-CG 3.49Å; R539-Q543 PolarHBondContact O-N 3.39Å; K540-Q543 PolarHBondContact O-N 3.35Å; Q543-H545 VanDerWaalsContact C-N 3.27Å; Q543-H545 PolarHBondContact O-N 3.46Å; Q543-R546 PolarHBondContact O-N 3.25Å
544N66.9Low76.4Confident120 Ų120124.8 Ų124.864%0.64256%0.555SS**Hα-helixtrans-75.6-11.9176.7-75.1-11.3000114.1K540 R541K540-N544 PolarHBondContact O-N 3.23Å; R541-N544 PolarHBondContact O-N 3.05Å
545H59.9Low75.5Confident171 Ų171126 Ų12679%0.79256%0.558SS**THydrogen-bonded Turntrans-100.61.3175.8-76.7-41000113.7R541 Q543R541-H545 PolarHBondContact O-CD2 3.43Å; R541-H545 VanDerWaalsContact O-CD2 3.28Å; R541-H545 PolarHBondContact O-N 3.47Å; Q543-H545 VanDerWaalsContact C-N 3.27Å; Q543-H545 PolarHBondContact O-N 3.46Å
546R47.6Very low74.5Confident286 Ų286130.5 Ų130.5100%1.07957%0.572SS**  trans-100.80163.3-84.7-173.7171.5-177.5-1.6109.3Q543Q543-R546 PolarHBondContact O-N 3.25Å

Retrieved 546 of 546 residues in 427.1 ms (Link to these results)

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