A0A077YY56_TRITR Loading...

Upf3 regulator of nonsense transcripts-like prote in

AlphaFold DB , UniProt , Accession A0A077YY56, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 214 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
1M33.2Very low32.5Very low243 Ų243136.1 Ų136.1100%1.19779%0.794SS**  0102.10-72.9178.2167.600107.6S3M1-S3 PolarHBondContact O-N 3.38Å
2G32.2Very low32.3Very low88 Ų88131.9 Ų131.991%0.90777%0.766SS**  trans-84.598.3-176.900000110.7
3S35.5Very low32.6Very low98 Ų98127.2 Ų127.269%0.68574%0.744SS**  trans-96.383.716541.40000108.4M1 Q5M1-S3 PolarHBondContact O-N 3.38Å; S3-Q5 PolarHBondContact O-N 3.33Å
4A32.5Very low32.3Very low91 Ų91131.6 Ų131.675%0.75275%0.75SS**  trans-67.886.3164.500000108.2N6A4-N6 PolarHBondContact O-N 3.19Å; A4-N6 VanDerWaalsContact O-N 3.12Å
5Q34Very low32.3Very low152 Ų152134.8 Ų134.871%0.7175%0.745SS**  trans-72.1104171.5-70.1-178.4-15.800108S3 N7S3-Q5 PolarHBondContact O-N 3.33Å; Q5-N7 PolarHBondContact O-N 2.87Å
6N30Very low32.1Very low148 Ų148138.1 Ų138.179%0.79175%0.75SS**  trans-61.777.2172.3-84.1-50.1000111A4 G8A4-N6 PolarHBondContact O-N 3.19Å; A4-N6 VanDerWaalsContact O-N 3.12Å; N6-G8 VanDerWaalsContact C-N 3.32Å
7N35.3Very low31.9Very low147 Ų147136.3 Ų136.379%0.78674%0.744SS**  trans-95.834.8172.6-74.2-26.2000112.2Q5Q5-N7 PolarHBondContact O-N 2.87Å
8G26.6Very low32.2Very low67 Ų67136.6 Ų136.669%0.69175%0.745SS**  trans-109.2-9.9-170.900000117.3N6N6-G8 VanDerWaalsContact C-N 3.32Å
9I34.6Very low32.4Very low119 Ų119134.5 Ų134.561%0.6173%0.728SS**SBendtrans-95.9-11.6-168.3-58.3-178.9000113.5E11I9-E11 PolarHBondContact O-N 3.49Å
10H34.1Very low32.8Very low157 Ų157132.4 Ų132.473%0.72772%0.719SS**THydrogen-bonded Turntrans-80.7-2.2-168.1-124.3-103.1000117.1
11E30.1Very low33.4Very low187 Ų187131.9 Ų131.987%0.87471%0.711SS**THydrogen-bonded Turntrans-113.31.8-175.8-66.7-156.2150.700116.7I9I9-E11 PolarHBondContact O-N 3.49Å
12N30.3Very low33.8Very low86 Ų86123.3 Ų123.346%0.4668%0.678SS.*  trans-120.234-163.9-13817.6000117.1F14 R15N12-F14 VanDerWaalsContact C-N 3.27Å; N12-F14 PolarHBondContact O-N 3.37Å; N12-R15 PolarHBondContact ND2-NE 3.15Å; N12-R15 PolarHBondContact OD1-NE 2.84Å; N12-R15 PolarHBondContact OD1-NH2 2.93Å
13C35.2Very low34.3Very low71 Ų71123.6 Ų123.648%0.4866%0.656SS.*THydrogen-bonded Turntrans-75.9-12.9168.7-72.50000113.8H26C13-H26 PolarHBondContact SG-O 3.49Å
14F29.2Very low34.8Very low189 Ų189119.9 Ų119.983%0.82963%0.628SS**THydrogen-bonded Turntrans-87.1-11-174.1-146.5-99.2000114.1N12 K16N12-F14 VanDerWaalsContact C-N 3.27Å; N12-F14 PolarHBondContact O-N 3.37Å; F14-K16 PolarHBondContact O-N 3.31Å; F14-K16 VanDerWaalsContact O-N 3.11Å
15R31.5Very low35.2Very low179 Ų179122.2 Ų122.268%0.67562%0.624SS**SBendtrans-84.396.2-174.1-127.3-176.7-78.3-144.1-0.4110.9N12N12-R15 PolarHBondContact ND2-NE 3.15Å; N12-R15 PolarHBondContact OD1-NE 2.84Å; N12-R15 PolarHBondContact OD1-NH2 2.93Å
16K29Very low35.8Very low188 Ų188121.1 Ų121.182%0.81762%0.618SS**  trans29.8105.7151.1-60.9174.4-178.7175.20115.5F14F14-K16 PolarHBondContact O-N 3.31Å; F14-K16 VanDerWaalsContact O-N 3.11Å
17T30.1Very low36.9Very low107 Ų107115 Ų11566%0.65659%0.587SS**  trans169.8153.4139.136.90000110.9K19T17-K19 PolarHBondContact O-N 3.47Å
18N36.1Very low38.3Very low142 Ų142109.7 Ų109.776%0.75956%0.561SS**  trans-66.676.3177.1-68.2-42.8000111.1R113N18-R113 PolarHBondContact OD1-NH2 3Å
19K36Very low40.7Very low97 Ų97107 Ų10742%0.42253%0.531SS..  trans-80.2133.7-178.1-77.7-178.6175.6-151.90111.4T17 Q23T17-K19 PolarHBondContact O-N 3.47Å; K19-Q23 HydrophobicContact CB-CB 3.6Å; K19-Q23 HydrophobicContact CB-CG 4.37Å; K19-Q23 HydrophobicContact CD-CB 4.03Å; K19-Q23 HydrophobicContact CG-CB 3.91Å; K19-Q23 HydrophobicContact CG-CG 4.3Å
20T41Very low43Very low91 Ų91106.1 Ų106.156%0.55852%0.52SS*.  trans-73168.9177.547.10000111.7A22 Q23 L24T20-A22 PolarHBondContact O-N 3.22Å; T20-Q23 WeakPolarHBondContact O-CA 3.49Å; T20-Q23 WeakPolarHBondContact O-CB 3.27Å; T20-Q23 PolarHBondContact O-N 3.46Å; T20-L24 PolarHBondContact O-N 3.39Å
21F46.2Very low45.4Very low123 Ų12398.6 Ų98.654%0.53949%0.485SS..G310 helixtrans-51.1-38.9178.2-173.8-99000112.8Q23 L24 I74F21-Q23 PolarHBondContact O-N 3.36Å; F21-L24 HydrophobicContact CD2-CD1 3.94Å; F21-L24 VanDerWaalsContact O-CB 3.25Å; F21-L24 WeakPolarHBondContact O-CB 3.33Å; F21-L24 PolarHBondContact O-N 2.93Å; F21-I74 HydrophobicContact CE2-CG2 4.08Å; F21-I74 HydrophobicContact CZ-CB 4.44Å; F21-I74 HydrophobicContact CZ-CD1 4.33Å; F21-I74 HydrophobicContact CZ-CG2 3.92Å
22A40.2Very low48Very low62 Ų6290 Ų9051%0.51245%0.446SS..G310 helixtrans-61.5-26.4174.700000114.2T20 E25T20-A22 PolarHBondContact O-N 3.22Å; A22-E25 WeakPolarHBondContact O-CG 3.5Å
23Q42.7Very low50.7Low95 Ų9585.9 Ų85.944%0.44442%0.424SS..G310 helixtrans-91.2-3.1177.5-73.2-92.8-24.300112.6K19 T20 F21 E25K19-Q23 HydrophobicContact CB-CB 3.6Å; K19-Q23 HydrophobicContact CB-CG 4.37Å; K19-Q23 HydrophobicContact CD-CB 4.03Å; K19-Q23 HydrophobicContact CG-CB 3.91Å; K19-Q23 HydrophobicContact CG-CG 4.3Å; T20-Q23 WeakPolarHBondContact O-CA 3.49Å; T20-Q23 WeakPolarHBondContact O-CB 3.27Å; T20-Q23 PolarHBondContact O-N 3.46Å; F21-Q23 PolarHBondContact O-N 3.36Å; Q23-E25 VanDerWaalsContact C-N 3.26Å
24L47.3Very low53Low19 Ų1987.4 Ų87.410%0.09942%0.419CS..G310 helixtrans-75.6-17.4169.3-58.9179000112.1T20 F21 H26 C27 I74 L110 F114T20-L24 PolarHBondContact O-N 3.39Å; F21-L24 HydrophobicContact CD2-CD1 3.94Å; F21-L24 VanDerWaalsContact O-CB 3.25Å; F21-L24 WeakPolarHBondContact O-CB 3.33Å; F21-L24 PolarHBondContact O-N 2.93Å; L24-H26 PolarHBondContact O-N 3.38Å; L24-H26 VanDerWaalsContact O-N 3.16Å; L24-C27 WeakPolarHBondContact O-CB 3.42Å; L24-C27 PolarHBondContact O-N 3.02Å; L24-I74 HydrophobicContact CB-CD1 4Å; L24-L110 HydrophobicContact CD2-CD1 3.64Å; L24-L110 HydrophobicContact CD2-CD2 3.53Å; L24-L110 HydrophobicContact CD2-CG 4.11Å; L24-F114 HydrophobicContact CD1-CE2 3.81Å; L24-F114 HydrophobicContact CD1-CZ 4.09Å; L24-F114 HydrophobicContact CD2-CE2 4.37Å
25E40.1Very low55.3Low140 Ų14087.6 Ų87.665%0.65442%0.415SS*.G310 helixtrans-55.5-29.2172.5-68.3177.1-175.800112.2A22 Q23 I74A22-E25 WeakPolarHBondContact O-CG 3.5Å; Q23-E25 VanDerWaalsContact C-N 3.26Å; E25-I74 HydrophobicContact CG-CD1 4.36Å
26H46.2Very low57.9Low130 Ų13079.5 Ų79.560%0.60238%0.384SS*.G310 helixtrans-86.5-9.8175.9-105.569.5000114.4C13 L24C13-H26 PolarHBondContact SG-O 3.49Å; L24-H26 PolarHBondContact O-N 3.38Å; L24-H26 VanDerWaalsContact O-N 3.16Å
27C52.4Low60.5Low18 Ų1870.7 Ų70.712%0.12235%0.347CS..SBendtrans-78125.8171.4-66.10000107.9L24 L29 L110L24-C27 WeakPolarHBondContact O-CB 3.42Å; L24-C27 PolarHBondContact O-N 3.02Å; C27-L29 WeakPolarHBondContact O-CD2 3.39Å; C27-L29 PolarHBondContact O-N 3.14Å; C27-L110 HydrophobicContact CB-CD1 4.17Å
28S64.7Low63Low37 Ų3769.3 Ų69.326%0.25935%0.346SS..  trans-45.4111.7175.758.80000110.2R30S28-R30 PolarHBondContact O-N 2.96Å
29L77Confident65.3Low11 Ų1165.7 Ų65.76%0.05833%0.327CS..  trans-77.156.8-179.1-59.4-179000110.2C27 T70 F71 N72 I74 M77C27-L29 WeakPolarHBondContact O-CD2 3.39Å; C27-L29 PolarHBondContact O-N 3.14Å; L29-T70 CarbonylContact O-C 3.56Å; L29-T70 WeakPolarHBondContact O-CA 3.27Å; L29-F71 HydrophobicContact CB-CB 4.17Å; L29-F71 WeakPolarHBondContact CB-O 3.32Å; L29-F71 PolarHBondContact O-N 3.42Å; L29-N72 VanDerWaalsContact CD1-O 3.23Å; L29-N72 WeakPolarHBondContact CD1-O 3.46Å; L29-I74 HydrophobicContact CD1-CG1 3.83Å; L29-I74 HydrophobicContact CD2-CD1 4.34Å; L29-I74 HydrophobicContact CD2-CG1 3.47Å; L29-I74 VanDerWaalsContact CD2-CG1 3.47Å; L29-I74 HydrophobicContact CG-CG1 4.31Å; L29-M77 HydrophobicContact CB-SD 4.23Å; L29-M77 HydrophobicContact CD2-SD 4.36Å
30R83.7Confident67.8Low99 Ų9961.4 Ų61.437%0.37431%0.308SS..EExtended strand (participates in β ladder)trans-101.2121.3-170.5-166.6174.569.3-172.61.6110.9S28 L69 A104 Q107S28-R30 PolarHBondContact O-N 2.96Å; R30-L69 CarbonylContact C-O 3.58Å; R30-L69 VanDerWaalsContact CA-O 3.32Å; R30-L69 WeakPolarHBondContact CA-O 3.03Å; R30-A104 HydrophobicContact CB-CB 4.08Å; R30-A104 WeakPolarHBondContact O-CB 3.37Å; R30-A104 PolarHBondContact O-N 3.02Å; R30-Q107 PolarHBondContact O-OE1 2.99Å
31V85.3Confident70.1Confident0 Ų059.9 Ų59.90%030%0.299CS..EExtended strand (participates in β ladder)trans-98.2139.8169.2179.50000108.5I33 L69 F71 M77 F80 V101 L103V31-I33 HydrophobicContact CG1-CG1 4.44Å; V31-L69 PolarHBondContact N-O 3.44Å; V31-L69 PolarHBondContact O-N 3.42Å; V31-F71 HydrophobicContact CB-CE2 4.03Å; V31-F71 HydrophobicContact CG2-CD2 3.94Å; V31-F71 HydrophobicContact CG2-CE2 3.54Å; V31-M77 HydrophobicContact CG2-CG 3.47Å; V31-M77 VanDerWaalsContact CG2-CG 3.47Å; V31-M77 HydrophobicContact CG2-SD 4.29Å; V31-F80 HydrophobicContact CG1-CD1 4.37Å; V31-F80 HydrophobicContact CG1-CE1 4.24Å; V31-V101 HydrophobicContact CG1-CG1 3.33Å; V31-L103 HydrophobicContact CG2-CD2 3.93Å
32V84.7Confident72.2Confident6 Ų658 Ų584%0.03629%0.291CS..EExtended strand (participates in β ladder)trans-122.2111.4172.7-169.50000108.8R34 V67 Y68 M102 A104V32-R34 HydrophobicContact CG1-CG 3.73Å; V32-V67 CarbonylContact C-O 3.5Å; V32-V67 VanDerWaalsContact CA-O 3.29Å; V32-V67 WeakPolarHBondContact CA-O 3.5Å; V32-Y68 HydrophobicContact CB-CD1 4.47Å; V32-Y68 HydrophobicContact CB-CE1 4.45Å; V32-Y68 HydrophobicContact CG1-CD1 4.08Å; V32-Y68 HydrophobicContact CG1-CE1 3.8Å; V32-Y68 HydrophobicContact CG1-CE2 4.49Å; V32-Y68 HydrophobicContact CG2-CD1 3.65Å; V32-Y68 HydrophobicContact CG2-CE1 3.72Å; V32-M102 CarbonylContact C-O 3.58Å; V32-M102 WeakPolarHBondContact CA-O 3.32Å; V32-M102 PolarHBondContact N-O 3.13Å; V32-M102 CarbonylContact O-C 3.54Å; V32-M102 WeakPolarHBondContact O-CA 3.49Å; V32-M102 PolarHBondContact O-N 3.25Å; V32-A104 HydrophobicContact CG2-CB 4.4Å
33I85.3Confident74.6Confident0 Ų060.9 Ų60.90%030%0.295CS..EExtended strand (participates in β ladder)trans-85.1131.1168.5-51.9174000106.3V31 L36 F45 E66 V67 F80 V101V31-I33 HydrophobicContact CG1-CG1 4.44Å; I33-L36 HydrophobicContact CG2-CD2 3.95Å; I33-L36 HydrophobicContact CG2-CG 4.3Å; I33-F45 HydrophobicContact CD1-CE2 3.85Å; I33-F45 HydrophobicContact CD1-CZ 3.52Å; I33-E66 CarbonylContact O-C 3.6Å; I33-E66 VanDerWaalsContact O-CA 3.31Å; I33-E66 WeakPolarHBondContact O-CA 3.39Å; I33-V67 HydrophobicContact CB-CB 4.22Å; I33-V67 PolarHBondContact N-O 3.48Å; I33-V67 PolarHBondContact O-N 2.95Å; I33-F80 HydrophobicContact CD1-CE1 3.92Å; I33-F80 HydrophobicContact CD1-CZ 3.91Å; I33-F80 HydrophobicContact CG1-CE1 4.47Å; I33-V101 HydrophobicContact CG1-CG1 4.33Å; I33-V101 HydrophobicContact CG1-CG2 4.25Å
34R83.6Confident76.8Confident102 Ų10259.1 Ų59.139%0.38529%0.286SS..  trans-124.1154.6-174.9-64.5-170.6166.2-149-15.2111.4V32 G65 E66 F99V32-R34 HydrophobicContact CG1-CG 3.73Å; R34-G65 CarbonylContact C-O 3.55Å; R34-E66 HydrophobicContact CB-CG 4.41Å; R34-E66 WeakPolarHBondContact CD-OE1 3.34Å; R34-E66 HydrophobicContact CG-CG 4.11Å; R34-E66 WeakPolarHBondContact CG-OE1 3.41Å; R34-E66 IonicContact CZ-OE1 3.39Å; R34-E66 VanDerWaalsContact CZ-OE1 3.23Å; R34-E66 IonicContact NE-OE1 3.15Å; R34-E66 PolarHBondContact NE-OE1 3.23Å; R34-E66 VanDerWaalsContact NE-OE1 3.15Å; R34-E66 IonicContact NH1-OE1 3.23Å; R34-E66 IonicContact NH2-OE1 2.74Å; R34-F99 WeakPolarHBondContact O-CD1 3.35Å
35R79.2Confident78.8Confident194 Ų19458.2 Ų58.273%0.73228%0.282SS*.SBendtrans77.911.3169.9-54.2169.7168.4-100.9-6.6115.7G65 F99R35-G65 CarbonylContact C-O 3.56Å; R35-G65 PolarHBondContact N-O 3.48Å; R35-F99 HydrophobicContact CB-CD1 3.6Å; R35-F99 HydrophobicContact CB-CE1 3.39Å; R35-F99 HydrophobicContact CB-CZ 4.48Å; R35-F99 WeakPolarHBondContact O-CE1 3.45Å; R35-F99 WeakPolarHBondContact O-CZ 3.38Å
36L84.4Confident81.2Confident8 Ų854 Ų544%0.04227%0.265CS..  trans-42.9155.3-176.7-69.1178.8000114.4I33 A38 L40 F45 F60 G65 V67 F89 F99I33-L36 HydrophobicContact CG2-CD2 3.95Å; I33-L36 HydrophobicContact CG2-CG 4.3Å; L36-A38 PolarHBondContact O-N 2.91Å; L36-L40 HydrophobicContact CB-CD2 4.48Å; L36-L40 HydrophobicContact CD1-CD2 4.39Å; L36-L40 HydrophobicContact CD2-CD2 4.27Å; L36-F45 HydrophobicContact CD1-CD2 3.81Å; L36-F45 HydrophobicContact CD1-CE2 4.03Å; L36-F45 HydrophobicContact CD2-CD2 4.3Å; L36-F45 HydrophobicContact CD2-CE2 4.32Å; L36-F60 HydrophobicContact CD1-CE2 3.76Å; L36-F60 HydrophobicContact CD1-CZ 4.36Å; L36-G65 WeakPolarHBondContact CB-O 3.22Å; L36-G65 PolarHBondContact N-O 3.35Å; L36-V67 HydrophobicContact CD1-CB 4.34Å; L36-V67 HydrophobicContact CD1-CG2 3.38Å; L36-F89 HydrophobicContact CD2-CB 4.48Å; L36-F89 HydrophobicContact CD2-CD1 4.14Å; L36-F89 HydrophobicContact CD2-CD2 4.18Å; L36-F89 HydrophobicContact CD2-CE1 4.4Å; L36-F89 HydrophobicContact CD2-CE2 4.38Å; L36-F89 HydrophobicContact CD2-CG 4Å; L36-F89 HydrophobicContact CD2-CZ 4.5Å; L36-F99 HydrophobicContact CD2-CD2 3.88Å; L36-F99 HydrophobicContact CD2-CE2 4.15Å; L36-F99 HydrophobicContact CD2-CG 4.39Å
37P84.5Confident83.2Confident4 Ų454.8 Ų54.83%0.02627%0.269CS..  trans-59.1139.6178.9-1329.1000110.4N39 L40 F89 D91 F99P37-N39 VanDerWaalsContact C-N 3.32Å; P37-N39 PolarHBondContact O-N 2.91Å; P37-L40 HydrophobicContact CB-CB 4.11Å; P37-L40 HydrophobicContact CG-CB 4.21Å; P37-L40 HydrophobicContact CG-CD2 4.41Å; P37-L40 VanDerWaalsContact O-CB 3.25Å; P37-L40 WeakPolarHBondContact O-CB 3.41Å; P37-L40 PolarHBondContact O-N 2.98Å; P37-L40 VanDerWaalsContact O-N 3.07Å; P37-F89 HydrophobicContact CG-CB 4.21Å; P37-D91 HydrophobicContact CB-CB 3.74Å; P37-D91 HydrophobicContact CG-CB 4.37Å; P37-F99 VanDerWaalsContact CD-CE2 3.47Å; P37-F99 HydrophobicContact CG-CE2 3.93Å; P37-F99 HydrophobicContact CG-CZ 4.36Å
38A83.6Confident84.9Confident77 Ų7756.7 Ų56.764%0.63628%0.277SS*.THydrogen-bonded Turntrans-68.3-25.5-169.300000114.6L36L36-A38 PolarHBondContact O-N 2.91Å
39N84.1Confident86Confident67 Ų6755 Ų5536%0.35827%0.265SS..THydrogen-bonded Turntrans-100.69.9175.1-28.6-94.7000112.2P37 T41 D91 K93P37-N39 VanDerWaalsContact C-N 3.32Å; P37-N39 PolarHBondContact O-N 2.91Å; N39-T41 PolarHBondContact O-N 3.46Å; N39-D91 WeakPolarHBondContact CA-OD2 3.18Å; N39-D91 WeakPolarHBondContact CB-OD1 3.46Å; N39-D91 WeakPolarHBondContact CB-OD2 3.28Å; N39-D91 PolarHBondContact N-OD2 2.82Å; N39-D91 PolarHBondContact ND2-OD2 3.39Å; N39-K93 PolarHBondContact OD1-NZ 3.23Å
40L86.7Confident86.4Confident6 Ų658.4 Ų58.43%0.03129%0.29CS..  trans-70.8124.3174-175.366.2000109.4L36 P37 E44 F45 M48 F60 F89L36-L40 HydrophobicContact CB-CD2 4.48Å; L36-L40 HydrophobicContact CD1-CD2 4.39Å; L36-L40 HydrophobicContact CD2-CD2 4.27Å; P37-L40 HydrophobicContact CB-CB 4.11Å; P37-L40 HydrophobicContact CG-CB 4.21Å; P37-L40 HydrophobicContact CG-CD2 4.41Å; P37-L40 VanDerWaalsContact O-CB 3.25Å; P37-L40 WeakPolarHBondContact O-CB 3.41Å; P37-L40 PolarHBondContact O-N 2.98Å; P37-L40 VanDerWaalsContact O-N 3.07Å; L40-E44 HydrophobicContact CD1-CB 3.59Å; L40-F45 HydrophobicContact CD2-CB 4Å; L40-F45 HydrophobicContact CD2-CD2 4.13Å; L40-F45 HydrophobicContact CG-CB 4.31Å; L40-M48 HydrophobicContact CD1-CE 3.27Å; L40-M48 HydrophobicContact CD2-CE 3.75Å; L40-M48 HydrophobicContact CG-CE 4.14Å; L40-F60 VanDerWaalsContact O-CZ 3.29Å; L40-F60 WeakPolarHBondContact O-CZ 3.42Å; L40-F89 HydrophobicContact CD2-CD1 4.3Å
41T90.1Very high86.5Confident59 Ų5959.1 Ų59.136%0.36231%0.307SS..  trans-84.4161.4176.759.80000111.7N39 E43 E44 F45N39-T41 PolarHBondContact O-N 3.46Å; T41-E43 VanDerWaalsContact C-N 3.25Å; T41-E43 WeakPolarHBondContact CB-OE2 3.38Å; T41-E43 PolarHBondContact O-N 2.91Å; T41-E44 PolarHBondContact N-OE2 2.96Å; T41-E44 WeakPolarHBondContact OG1-CB 3.41Å; T41-E44 WeakPolarHBondContact OG1-CG 3.31Å; T41-E44 PolarHBondContact OG1-N 3.3Å; T41-E44 PolarHBondContact OG1-OE2 3.33Å; T41-F45 WeakPolarHBondContact O-CB 3.38Å; T41-F45 PolarHBondContact O-N 3.46Å
42E90.5Very high86.5Confident83 Ų8361.1 Ų61.139%0.38832%0.318SS..Hα-helixtrans-61.5-39.2177.5-178.1173166.600110.7F45 V46 F58 F60E42-F45 WeakPolarHBondContact O-CB 3.31Å; E42-F45 PolarHBondContact O-N 2.91Å; E42-V46 VanDerWaalsContact O-CG2 3.24Å; E42-V46 WeakPolarHBondContact O-CG2 3.33Å; E42-V46 PolarHBondContact O-N 3.43Å; E42-F58 HydrophobicContact CG-CE1 3.74Å; E42-F58 HydrophobicContact CG-CZ 4.27Å; E42-F58 VanDerWaalsContact OE1-CE1 3.26Å; E42-F58 WeakPolarHBondContact OE1-CE1 3.39Å; E42-F60 HydrophobicContact CB-CB 4.1Å; E42-F60 HydrophobicContact CB-CD1 4.12Å; E42-F60 HydrophobicContact CB-CD2 4.3Å; E42-F60 HydrophobicContact CB-CG 3.93Å; E42-F60 HydrophobicContact CG-CB 3.81Å; E42-F60 HydrophobicContact CG-CD2 4.43Å; E42-F60 HydrophobicContact CG-CG 4.12Å
43E90.4Very high86.5Confident124 Ų12462.1 Ų62.158%0.57933%0.325SS*.Hα-helixtrans-67.5-45.8-179-58.278.2-17200111.7T41 F45 V46 Q47T41-E43 VanDerWaalsContact C-N 3.25Å; T41-E43 WeakPolarHBondContact CB-OE2 3.38Å; T41-E43 PolarHBondContact O-N 2.91Å; E43-F45 VanDerWaalsContact C-N 3.31Å; E43-F45 PolarHBondContact O-N 3.37Å; E43-V46 PolarHBondContact O-N 3.03Å; E43-Q47 VanDerWaalsContact O-CG 3.32Å; E43-Q47 WeakPolarHBondContact O-CG 3.45Å; E43-Q47 PolarHBondContact O-N 3.4Å
44E89.3Confident86.5Confident58 Ų5866 Ų6627%0.27135%0.349SS..Hα-helixtrans-63.4-39.6175.2-72.6166.9147.100111.3L40 T41 Q47 M48L40-E44 HydrophobicContact CD1-CB 3.59Å; T41-E44 PolarHBondContact N-OE2 2.96Å; T41-E44 WeakPolarHBondContact OG1-CB 3.41Å; T41-E44 WeakPolarHBondContact OG1-CG 3.31Å; T41-E44 PolarHBondContact OG1-N 3.3Å; T41-E44 PolarHBondContact OG1-OE2 3.33Å; E44-Q47 PolarHBondContact O-N 3.37Å; E44-M48 WeakPolarHBondContact O-CE 3.47Å; E44-M48 WeakPolarHBondContact O-CG 3.1Å; E44-M48 PolarHBondContact O-N 2.86Å
45F89.4Confident86.7Confident0 Ų064.3 Ų64.30%035%0.346CS..Hα-helixtrans-60.4-48.8174.8173.4-88.8000111.2I33 L36 L40 T41 E42 E43 Q47 M48 V49 F58 F60 V67 F89I33-F45 HydrophobicContact CD1-CE2 3.85Å; I33-F45 HydrophobicContact CD1-CZ 3.52Å; L36-F45 HydrophobicContact CD1-CD2 3.81Å; L36-F45 HydrophobicContact CD1-CE2 4.03Å; L36-F45 HydrophobicContact CD2-CD2 4.3Å; L36-F45 HydrophobicContact CD2-CE2 4.32Å; L40-F45 HydrophobicContact CD2-CB 4Å; L40-F45 HydrophobicContact CD2-CD2 4.13Å; L40-F45 HydrophobicContact CG-CB 4.31Å; T41-F45 WeakPolarHBondContact O-CB 3.38Å; T41-F45 PolarHBondContact O-N 3.46Å; E42-F45 WeakPolarHBondContact O-CB 3.31Å; E42-F45 PolarHBondContact O-N 2.91Å; E43-F45 VanDerWaalsContact C-N 3.31Å; E43-F45 PolarHBondContact O-N 3.37Å; F45-Q47 VanDerWaalsContact C-N 3.31Å; F45-Q47 PolarHBondContact O-N 3.36Å; F45-M48 PolarHBondContact O-N 3.39Å; F45-V49 HydrophobicContact CD2-CG2 4.3Å; F45-V49 HydrophobicContact CE1-CB 4.4Å; F45-V49 HydrophobicContact CE1-CG2 4.02Å; F45-V49 HydrophobicContact CE2-CG2 3.81Å; F45-V49 HydrophobicContact CZ-CB 4.42Å; F45-V49 HydrophobicContact CZ-CG2 3.64Å; F45-V49 WeakPolarHBondContact O-CB 3.22Å; F45-V49 VanDerWaalsContact O-CG2 3.31Å; F45-V49 WeakPolarHBondContact O-CG2 3.15Å; F45-V49 PolarHBondContact O-N 2.89Å; F45-F58 HydrophobicContact CD1-CE2 4.05Å; F45-F58 AromaticContact CD1-CZ 3.77Å; F45-F58 HydrophobicContact CD1-CZ 3.77Å; F45-F58 AromaticContact CE1-CE2 3.63Å; F45-F58 HydrophobicContact CE1-CE2 3.63Å; F45-F58 AromaticContact CE1-CZ 3.85Å; F45-F58 HydrophobicContact CE1-CZ 3.85Å; F45-F60 HydrophobicContact CB-CD2 4.36Å; F45-F60 HydrophobicContact CB-CE2 3.9Å; F45-F60 HydrophobicContact CD1-CD2 4.47Å; F45-F60 HydrophobicContact CD2-CE2 4.48Å; F45-F60 HydrophobicContact CG-CD2 4.34Å; F45-F60 HydrophobicContact CG-CE2 4.08Å; F45-V67 HydrophobicContact CD1-CG2 4.5Å; F45-V67 HydrophobicContact CD2-CG2 4.44Å; F45-V67 HydrophobicContact CE1-CG1 4.01Å; F45-V67 HydrophobicContact CE1-CG2 4.36Å; F45-V67 HydrophobicContact CE2-CG2 4.27Å; F45-V67 HydrophobicContact CZ-CB 4.38Å; F45-V67 HydrophobicContact CZ-CG1 4.03Å; F45-V67 HydrophobicContact CZ-CG2 4.25Å; F45-F89 HydrophobicContact CD2-CD1 4.12Å; F45-F89 AromaticContact CD2-CE1 3.67Å; F45-F89 HydrophobicContact CD2-CE1 3.67Å; F45-F89 HydrophobicContact CE2-CD1 4.32Å; F45-F89 AromaticContact CE2-CE1 3.49Å; F45-F89 HydrophobicContact CE2-CE1 3.49Å; F45-F89 VanDerWaalsContact CE2-CE1 3.49Å; F45-F89 AromaticContact CE2-CZ 3.91Å; F45-F89 HydrophobicContact CE2-CZ 3.91Å
46V90.5Very high86.9Confident51 Ų5163 Ų6331%0.30934%0.341SS..Hα-helixtrans-61.7-39.8178.6168.50000111.3E42 E43 V49 S50 L52 F58E42-V46 VanDerWaalsContact O-CG2 3.24Å; E42-V46 WeakPolarHBondContact O-CG2 3.33Å; E42-V46 PolarHBondContact O-N 3.43Å; E43-V46 PolarHBondContact O-N 3.03Å; V46-V49 PolarHBondContact O-N 2.64Å; V46-S50 WeakPolarHBondContact O-CB 3.17Å; V46-S50 PolarHBondContact O-N 3.36Å; V46-L52 HydrophobicContact CB-CD1 4.29Å; V46-L52 HydrophobicContact CG1-CD1 3.84Å; V46-L52 HydrophobicContact CG2-CD1 3.95Å; V46-F58 HydrophobicContact CG2-CE1 4.11Å; V46-F58 HydrophobicContact CG2-CZ 4.03Å
47Q88.7Confident87.2Confident147 Ų14767 Ų6769%0.68736%0.363SS*.Hα-helixtrans-62.1-45175.8-75.4177.16.200112.4E43 E44 F45 V49 S50E43-Q47 VanDerWaalsContact O-CG 3.32Å; E43-Q47 WeakPolarHBondContact O-CG 3.45Å; E43-Q47 PolarHBondContact O-N 3.4Å; E44-Q47 PolarHBondContact O-N 3.37Å; F45-Q47 VanDerWaalsContact C-N 3.31Å; F45-Q47 PolarHBondContact O-N 3.36Å; Q47-V49 VanDerWaalsContact C-N 3.28Å; Q47-V49 PolarHBondContact O-N 3.19Å; Q47-S50 WeakPolarHBondContact O-CB 3.43Å; Q47-S50 PolarHBondContact O-N 2.92Å
48M87.4Confident87.5Confident58 Ų5869.1 Ų69.129%0.28637%0.371SS..Hα-helixtrans-66.6-31178.5-75.4-173.1-75.800113.2L40 E44 F45 F89L40-M48 HydrophobicContact CD1-CE 3.27Å; L40-M48 HydrophobicContact CD2-CE 3.75Å; L40-M48 HydrophobicContact CG-CE 4.14Å; E44-M48 WeakPolarHBondContact O-CE 3.47Å; E44-M48 WeakPolarHBondContact O-CG 3.1Å; E44-M48 PolarHBondContact O-N 2.86Å; F45-M48 PolarHBondContact O-N 3.39Å; M48-F89 HydrophobicContact CE-CB 4.43Å; M48-F89 HydrophobicContact CE-CD1 3.75Å; M48-F89 HydrophobicContact SD-CD1 4.09Å
49V87.8Confident87.8Confident0 Ų072 Ų720%037%0.369CS..Hα-helixtrans-93.4-1.6-176.6178.80000112F45 V46 Q47 P51 L52 F80 F84 F89F45-V49 HydrophobicContact CD2-CG2 4.3Å; F45-V49 HydrophobicContact CE1-CB 4.4Å; F45-V49 HydrophobicContact CE1-CG2 4.02Å; F45-V49 HydrophobicContact CE2-CG2 3.81Å; F45-V49 HydrophobicContact CZ-CB 4.42Å; F45-V49 HydrophobicContact CZ-CG2 3.64Å; F45-V49 WeakPolarHBondContact O-CB 3.22Å; F45-V49 VanDerWaalsContact O-CG2 3.31Å; F45-V49 WeakPolarHBondContact O-CG2 3.15Å; F45-V49 PolarHBondContact O-N 2.89Å; V46-V49 PolarHBondContact O-N 2.64Å; Q47-V49 VanDerWaalsContact C-N 3.28Å; Q47-V49 PolarHBondContact O-N 3.19Å; V49-P51 CarbonylContact O-C 3.51Å; V49-L52 HydrophobicContact CG1-CD2 3.63Å; V49-L52 HydrophobicContact CG1-CG 4.09Å; V49-F80 HydrophobicContact CG1-CD2 4.47Å; V49-F80 HydrophobicContact CG1-CE2 3.35Å; V49-F80 HydrophobicContact CG1-CZ 3.81Å; V49-F84 HydrophobicContact CB-CE1 4.16Å; V49-F84 HydrophobicContact CB-CZ 4.06Å; V49-F84 HydrophobicContact CG1-CD2 4.33Å; V49-F84 HydrophobicContact CG1-CE1 4.05Å; V49-F84 HydrophobicContact CG1-CE2 3.75Å; V49-F84 HydrophobicContact CG1-CZ 3.59Å; V49-F84 HydrophobicContact CG2-CD1 4.34Å; V49-F84 HydrophobicContact CG2-CE1 4Å; V49-F84 HydrophobicContact CG2-CZ 4.37Å; V49-F84 WeakPolarHBondContact O-CZ 3.33Å; V49-F89 HydrophobicContact CG2-CE1 3.74Å; V49-F89 HydrophobicContact CG2-CZ 4.14Å
50S85Confident88.2Confident84 Ų8469.9 Ų69.959%0.58736%0.357SS*.PPolyproline II helixtrans-67.1134-178.5-169.10000112.1V46 Q47V46-S50 WeakPolarHBondContact O-CB 3.17Å; V46-S50 PolarHBondContact O-N 3.36Å; Q47-S50 WeakPolarHBondContact O-CB 3.43Å; Q47-S50 PolarHBondContact O-N 2.92Å
51P86.1Confident88.3Confident113 Ų11371 Ų7173%0.73436%0.364SS*.SBendcis-82.4129.2331.4-32.8000112.8V49 P53V49-P51 CarbonylContact O-C 3.51Å; P51-P53 WeakPolarHBondContact O-CD 3.45Å
52L85.3Confident87.8Confident43 Ų4372.3 Ų72.323%0.22537%0.374CS..PPolyproline II helixtrans-69.1125.7170.9-88.9163.5000109.8V46 V49 L69 F80V46-L52 HydrophobicContact CB-CD1 4.29Å; V46-L52 HydrophobicContact CG1-CD1 3.84Å; V46-L52 HydrophobicContact CG2-CD1 3.95Å; V49-L52 HydrophobicContact CG1-CD2 3.63Å; V49-L52 HydrophobicContact CG1-CG 4.09Å; L52-L69 HydrophobicContact CD2-CD2 4.08Å; L52-F80 HydrophobicContact CD2-CE2 4.09Å
53P84.1Confident87.2Confident27 Ų2772.7 Ų72.718%0.17539%0.391CS..PPolyproline II helixtrans-63.9162.2175-17.929.5000112.1P51 H55 F71 D76 F80P51-P53 WeakPolarHBondContact O-CD 3.45Å; P53-H55 PolarHBondContact O-N 3.33Å; P53-H55 PolarHBondContact O-ND1 3.04Å; P53-F71 HydrophobicContact CB-CD1 4.38Å; P53-F71 HydrophobicContact CB-CE1 3.92Å; P53-F71 HydrophobicContact CG-CE1 4Å; P53-D76 HydrophobicContact CB-CB 4Å; P53-F80 HydrophobicContact CG-CB 4.41Å; P53-F80 HydrophobicContact CG-CD2 4.09Å
54P84.8Confident86.5Confident80 Ų8072.2 Ų72.252%0.51939%0.392SS..PPolyproline II helixtrans-54.2120.8174.7-24.734.5000111.9
55H88Confident86.1Confident68 Ų6869.7 Ų69.732%0.31538%0.382SS..EExtended strand (participates in β ladder)trans-132.9153.3-176.856.8-87.5000111.1P53 L69 T70P53-H55 PolarHBondContact O-N 3.33Å; P53-H55 PolarHBondContact O-ND1 3.04Å; H55-L69 HydrophobicContact CB-CD1 3.4Å; H55-L69 VanDerWaalsContact CB-CD1 3.4Å; H55-L69 HydrophobicContact CB-CG 4.4Å; H55-L69 VanDerWaalsContact CG-CD1 3.44Å; H55-T70 CarbonylContact C-O 3.34Å; H55-T70 WeakPolarHBondContact CA-O 3.34Å; H55-T70 WeakPolarHBondContact CB-O 3.41Å
56R85.2Confident85.9Confident165 Ų16570.9 Ų70.962%0.62339%0.388SS*.EExtended strand (participates in β ladder)trans-79.3-49.7178.2-172.1175.6178.1170.91111.5T70 N72R56-T70 HydrophobicContact CB-CG2 4.32Å; R56-T70 PolarHBondContact N-O 2.98Å; R56-N72 WeakPolarHBondContact CB-OD1 3.36Å
57D88.9Confident85.8Confident94 Ų9468.5 Ų68.550%0.50337%0.373SS..EExtended strand (participates in β ladder)trans-142.3136.3-175.5-66.2-49.9000109.7T70D57-T70 PolarHBondContact N-O 2.93Å; D57-T70 PolarHBondContact O-N 3.33Å
58F91.3Very high85.8Confident47 Ų4764.4 Ų64.421%0.20635%0.352CS..EExtended strand (participates in β ladder)trans-126.9130.8172173.4-104.4000109E42 F45 V46 F60 V67 Y68 L69E42-F58 HydrophobicContact CG-CE1 3.74Å; E42-F58 HydrophobicContact CG-CZ 4.27Å; E42-F58 VanDerWaalsContact OE1-CE1 3.26Å; E42-F58 WeakPolarHBondContact OE1-CE1 3.39Å; F45-F58 HydrophobicContact CD1-CE2 4.05Å; F45-F58 AromaticContact CD1-CZ 3.77Å; F45-F58 HydrophobicContact CD1-CZ 3.77Å; F45-F58 AromaticContact CE1-CE2 3.63Å; F45-F58 HydrophobicContact CE1-CE2 3.63Å; F45-F58 AromaticContact CE1-CZ 3.85Å; F45-F58 HydrophobicContact CE1-CZ 3.85Å; V46-F58 HydrophobicContact CG2-CE1 4.11Å; V46-F58 HydrophobicContact CG2-CZ 4.03Å; F58-F60 HydrophobicContact CE1-CB 4.4Å; F58-F60 HydrophobicContact CZ-CB 4.42Å; F58-V67 HydrophobicContact CD2-CG1 3.97Å; F58-V67 HydrophobicContact CE2-CG1 3.36Å; F58-V67 HydrophobicContact CZ-CG1 4.13Å; F58-Y68 WeakPolarHBondContact CA-O 3.05Å; F58-L69 HydrophobicContact CB-CD1 4.13Å; F58-L69 HydrophobicContact CD2-CD1 4.02Å
59K91.1Very high85.9Confident137 Ų13761.7 Ų61.760%0.59634%0.339SS*.EExtended strand (participates in β ladder)trans-139.9116.9177.9-179.3177.7-177.51760110.5V61 V67 Y68K59-V61 HydrophobicContact CG-CG2 4.3Å; K59-V67 WeakPolarHBondContact O-CA 3.48Å; K59-Y68 PolarHBondContact N-O 2.9Å; K59-Y68 PolarHBondContact O-N 2.76Å
60F90.8Very high85.9Confident24 Ų2462.8 Ų62.811%0.10535%0.345CS..EExtended strand (participates in β ladder)trans-90130.6172-167.1-91.3000110.5L36 L40 E42 F45 F58 P62 V67L36-F60 HydrophobicContact CD1-CE2 3.76Å; L36-F60 HydrophobicContact CD1-CZ 4.36Å; L40-F60 VanDerWaalsContact O-CZ 3.29Å; L40-F60 WeakPolarHBondContact O-CZ 3.42Å; E42-F60 HydrophobicContact CB-CB 4.1Å; E42-F60 HydrophobicContact CB-CD1 4.12Å; E42-F60 HydrophobicContact CB-CD2 4.3Å; E42-F60 HydrophobicContact CB-CG 3.93Å; E42-F60 HydrophobicContact CG-CB 3.81Å; E42-F60 HydrophobicContact CG-CD2 4.43Å; E42-F60 HydrophobicContact CG-CG 4.12Å; F45-F60 HydrophobicContact CB-CD2 4.36Å; F45-F60 HydrophobicContact CB-CE2 3.9Å; F45-F60 HydrophobicContact CD1-CD2 4.47Å; F45-F60 HydrophobicContact CD2-CE2 4.48Å; F45-F60 HydrophobicContact CG-CD2 4.34Å; F45-F60 HydrophobicContact CG-CE2 4.08Å; F58-F60 HydrophobicContact CE1-CB 4.4Å; F58-F60 HydrophobicContact CZ-CB 4.42Å; F60-P62 HydrophobicContact CD1-CB 4.36Å; F60-P62 HydrophobicContact CE1-CB 3.94Å; F60-V67 HydrophobicContact CD2-CG2 3.24Å; F60-V67 HydrophobicContact CE2-CG2 3.6Å; F60-V67 HydrophobicContact CG-CG2 4.14Å
61V88.7Confident85.9Confident28 Ų2859 Ų5917%0.1732%0.318CS..EExtended strand (participates in β ladder)trans-119.397.2176.9-175.70000108.5K59 A63 D64 G65 E66 Y68K59-V61 HydrophobicContact CG-CG2 4.3Å; V61-A63 VanDerWaalsContact C-N 3.34Å; V61-A63 PolarHBondContact O-N 2.95Å; V61-D64 HydrophobicContact CG1-CB 4.35Å; V61-G65 PolarHBondContact O-N 3.23Å; V61-G65 VanDerWaalsContact O-N 3.17Å; V61-E66 WeakPolarHBondContact CA-O 3.43Å; V61-E66 HydrophobicContact CB-CB 4.47Å; V61-E66 WeakPolarHBondContact CB-O 3.45Å; V61-E66 PolarHBondContact N-O 3.41Å; V61-E66 PolarHBondContact O-N 3.49Å; V61-Y68 HydrophobicContact CG2-CD2 4.01Å; V61-Y68 HydrophobicContact CG2-CE2 3.97Å
62P80.2Confident85.8Confident88 Ų8857.8 Ų57.857%0.57131%0.306SS*.THydrogen-bonded Turntrans-66.8-34.5-176.723.4-30.8000112.5F60 D64 G65F60-P62 HydrophobicContact CD1-CB 4.36Å; F60-P62 HydrophobicContact CE1-CB 3.94Å; P62-D64 VanDerWaalsContact C-N 3.34Å; P62-D64 PolarHBondContact O-N 2.91Å; P62-G65 PolarHBondContact O-N 3.06Å
63A78.7Confident85.5Confident91 Ų9160.1 Ų60.175%0.75232%0.318SS*.THydrogen-bonded Turntrans-59.6-40.7-175.800000113.4V61V61-A63 VanDerWaalsContact C-N 3.34Å; V61-A63 PolarHBondContact O-N 2.95Å
64D76Confident85.1Confident113 Ų11359.8 Ų59.860%0.60432%0.315SS*.THydrogen-bonded Turntrans-101.2-4.8-178.9-64.9-45.7000112.8V61 P62 E66V61-D64 HydrophobicContact CG1-CB 4.35Å; P62-D64 VanDerWaalsContact C-N 3.34Å; P62-D64 PolarHBondContact O-N 2.91Å; D64-E66 VanDerWaalsContact C-N 3.28Å; D64-E66 HydrophobicContact CB-CB 4.31Å; D64-E66 HydrophobicContact CB-CG 3.79Å; D64-E66 PolarHBondContact O-N 2.84Å
65G80.7Confident84.7Confident6 Ų663.2 Ų63.26%0.06232%0.324CS..THydrogen-bonded Turntrans57.942.8-168.400000111.3R34 R35 L36 V61 P62R34-G65 CarbonylContact C-O 3.55Å; R35-G65 CarbonylContact C-O 3.56Å; R35-G65 PolarHBondContact N-O 3.48Å; L36-G65 WeakPolarHBondContact CB-O 3.22Å; L36-G65 PolarHBondContact N-O 3.35Å; V61-G65 PolarHBondContact O-N 3.23Å; V61-G65 VanDerWaalsContact O-N 3.17Å; P62-G65 PolarHBondContact O-N 3.06Å
66E84.7Confident84.4Confident25 Ų2562.2 Ų62.212%0.11732%0.321CS..EExtended strand (participates in β ladder)trans-116.7140.7-178.6-64.8-166.115100111.2I33 R34 V61 D64 Y68I33-E66 CarbonylContact O-C 3.6Å; I33-E66 VanDerWaalsContact O-CA 3.31Å; I33-E66 WeakPolarHBondContact O-CA 3.39Å; R34-E66 HydrophobicContact CB-CG 4.41Å; R34-E66 WeakPolarHBondContact CD-OE1 3.34Å; R34-E66 HydrophobicContact CG-CG 4.11Å; R34-E66 WeakPolarHBondContact CG-OE1 3.41Å; R34-E66 IonicContact CZ-OE1 3.39Å; R34-E66 VanDerWaalsContact CZ-OE1 3.23Å; R34-E66 IonicContact NE-OE1 3.15Å; R34-E66 PolarHBondContact NE-OE1 3.23Å; R34-E66 VanDerWaalsContact NE-OE1 3.15Å; R34-E66 IonicContact NH1-OE1 3.23Å; R34-E66 IonicContact NH2-OE1 2.74Å; V61-E66 WeakPolarHBondContact CA-O 3.43Å; V61-E66 HydrophobicContact CB-CB 4.47Å; V61-E66 WeakPolarHBondContact CB-O 3.45Å; V61-E66 PolarHBondContact N-O 3.41Å; V61-E66 PolarHBondContact O-N 3.49Å; D64-E66 VanDerWaalsContact C-N 3.28Å; D64-E66 HydrophobicContact CB-CB 4.31Å; D64-E66 HydrophobicContact CB-CG 3.79Å; D64-E66 PolarHBondContact O-N 2.84Å; E66-Y68 HydrophobicContact CB-CE2 3.89Å; E66-Y68 PolarHBondContact OE2-OH 3.35Å
67V88.7Confident84.2Confident0 Ų054.8 Ų54.80%029%0.294CS..EExtended strand (participates in β ladder)trans-123.3127.4173.8172.60000108.9V32 I33 L36 F45 F58 K59 F60V32-V67 CarbonylContact C-O 3.5Å; V32-V67 VanDerWaalsContact CA-O 3.29Å; V32-V67 WeakPolarHBondContact CA-O 3.5Å; I33-V67 HydrophobicContact CB-CB 4.22Å; I33-V67 PolarHBondContact N-O 3.48Å; I33-V67 PolarHBondContact O-N 2.95Å; L36-V67 HydrophobicContact CD1-CB 4.34Å; L36-V67 HydrophobicContact CD1-CG2 3.38Å; F45-V67 HydrophobicContact CD1-CG2 4.5Å; F45-V67 HydrophobicContact CD2-CG2 4.44Å; F45-V67 HydrophobicContact CE1-CG1 4.01Å; F45-V67 HydrophobicContact CE1-CG2 4.36Å; F45-V67 HydrophobicContact CE2-CG2 4.27Å; F45-V67 HydrophobicContact CZ-CB 4.38Å; F45-V67 HydrophobicContact CZ-CG1 4.03Å; F45-V67 HydrophobicContact CZ-CG2 4.25Å; F58-V67 HydrophobicContact CD2-CG1 3.97Å; F58-V67 HydrophobicContact CE2-CG1 3.36Å; F58-V67 HydrophobicContact CZ-CG1 4.13Å; K59-V67 WeakPolarHBondContact O-CA 3.48Å; F60-V67 HydrophobicContact CD2-CG2 3.24Å; F60-V67 HydrophobicContact CE2-CG2 3.6Å; F60-V67 HydrophobicContact CG-CG2 4.14Å
68Y88.6Confident83.6Confident61 Ų6153.4 Ų53.424%0.23929%0.286CS..EExtended strand (participates in β ladder)trans-105.8118.5176.6-65.4-94.6000108.3V32 F58 K59 V61 E66V32-Y68 HydrophobicContact CB-CD1 4.47Å; V32-Y68 HydrophobicContact CB-CE1 4.45Å; V32-Y68 HydrophobicContact CG1-CD1 4.08Å; V32-Y68 HydrophobicContact CG1-CE1 3.8Å; V32-Y68 HydrophobicContact CG1-CE2 4.49Å; V32-Y68 HydrophobicContact CG2-CD1 3.65Å; V32-Y68 HydrophobicContact CG2-CE1 3.72Å; F58-Y68 WeakPolarHBondContact CA-O 3.05Å; K59-Y68 PolarHBondContact N-O 2.9Å; K59-Y68 PolarHBondContact O-N 2.76Å; V61-Y68 HydrophobicContact CG2-CD2 4.01Å; V61-Y68 HydrophobicContact CG2-CE2 3.97Å; E66-Y68 HydrophobicContact CB-CE2 3.89Å; E66-Y68 PolarHBondContact OE2-OH 3.35Å
69L89.6Confident83.1Confident1 Ų153.4 Ų53.41%0.00529%0.294CS..EExtended strand (participates in β ladder)trans-125.3125.1178.9-178.654.8000108.9R30 V31 L52 H55 F58 F71 F80R30-L69 CarbonylContact C-O 3.58Å; R30-L69 VanDerWaalsContact CA-O 3.32Å; R30-L69 WeakPolarHBondContact CA-O 3.03Å; V31-L69 PolarHBondContact N-O 3.44Å; V31-L69 PolarHBondContact O-N 3.42Å; L52-L69 HydrophobicContact CD2-CD2 4.08Å; H55-L69 HydrophobicContact CB-CD1 3.4Å; H55-L69 VanDerWaalsContact CB-CD1 3.4Å; H55-L69 HydrophobicContact CB-CG 4.4Å; H55-L69 VanDerWaalsContact CG-CD1 3.44Å; F58-L69 HydrophobicContact CB-CD1 4.13Å; F58-L69 HydrophobicContact CD2-CD1 4.02Å; L69-F71 HydrophobicContact CB-CE2 4.27Å; L69-F71 HydrophobicContact CD2-CE1 3.98Å; L69-F71 HydrophobicContact CD2-CE2 3.61Å; L69-F71 HydrophobicContact CD2-CZ 3.21Å; L69-F71 HydrophobicContact CG-CD2 4.21Å; L69-F71 HydrophobicContact CG-CE1 4.32Å; L69-F71 HydrophobicContact CG-CE2 3.56Å; L69-F71 HydrophobicContact CG-CZ 3.63Å; L69-F80 HydrophobicContact CD2-CD2 4.4Å; L69-F80 HydrophobicContact CD2-CE1 4.05Å; L69-F80 HydrophobicContact CD2-CE2 3.89Å; L69-F80 HydrophobicContact CD2-CZ 3.72Å
70T86.8Confident82.8Confident23 Ų2347 Ų4714%0.14127%0.266CS..EExtended strand (participates in β ladder)trans-112.3118177.9-52.60000108.9L29 H55 R56 D57L29-T70 CarbonylContact O-C 3.56Å; L29-T70 WeakPolarHBondContact O-CA 3.27Å; H55-T70 CarbonylContact C-O 3.34Å; H55-T70 WeakPolarHBondContact CA-O 3.34Å; H55-T70 WeakPolarHBondContact CB-O 3.41Å; R56-T70 HydrophobicContact CB-CG2 4.32Å; R56-T70 PolarHBondContact N-O 2.98Å; D57-T70 PolarHBondContact N-O 2.93Å; D57-T70 PolarHBondContact O-N 3.33Å
71F85.5Confident82.3Confident5 Ų549 Ų492%0.02227%0.273CS..EExtended strand (participates in β ladder)trans-86.9159.1-179.1-68-90.1000112.1L29 V31 P53 L69 D76 M77 F80L29-F71 HydrophobicContact CB-CB 4.17Å; L29-F71 WeakPolarHBondContact CB-O 3.32Å; L29-F71 PolarHBondContact O-N 3.42Å; V31-F71 HydrophobicContact CB-CE2 4.03Å; V31-F71 HydrophobicContact CG2-CD2 3.94Å; V31-F71 HydrophobicContact CG2-CE2 3.54Å; P53-F71 HydrophobicContact CB-CD1 4.38Å; P53-F71 HydrophobicContact CB-CE1 3.92Å; P53-F71 HydrophobicContact CG-CE1 4Å; L69-F71 HydrophobicContact CB-CE2 4.27Å; L69-F71 HydrophobicContact CD2-CE1 3.98Å; L69-F71 HydrophobicContact CD2-CE2 3.61Å; L69-F71 HydrophobicContact CD2-CZ 3.21Å; L69-F71 HydrophobicContact CG-CD2 4.21Å; L69-F71 HydrophobicContact CG-CE1 4.32Å; L69-F71 HydrophobicContact CG-CE2 3.56Å; L69-F71 HydrophobicContact CG-CZ 3.63Å; F71-D76 HydrophobicContact CD1-CB 4.09Å; F71-M77 HydrophobicContact CB-CB 3.94Å; F71-M77 HydrophobicContact CD1-CB 4.48Å; F71-M77 HydrophobicContact CD2-CB 3.68Å; F71-M77 HydrophobicContact CD2-CG 3.6Å; F71-M77 HydrophobicContact CE2-CB 4.31Å; F71-M77 HydrophobicContact CE2-CG 4.09Å; F71-M77 HydrophobicContact CG-CB 3.76Å; F71-M77 HydrophobicContact CG-CG 4.21Å; F71-F80 HydrophobicContact CE1-CB 4.06Å; F71-F80 HydrophobicContact CE1-CD2 4.35Å; F71-F80 HydrophobicContact CE1-CG 4.19Å; F71-F80 HydrophobicContact CE2-CB 4.4Å; F71-F80 HydrophobicContact CE2-CD1 4.12Å; F71-F80 HydrophobicContact CE2-CG 4.26Å; F71-F80 HydrophobicContact CZ-CB 3.6Å; F71-F80 AromaticContact CZ-CD1 3.7Å; F71-F80 HydrophobicContact CZ-CD1 3.7Å; F71-F80 AromaticContact CZ-CD2 3.81Å; F71-F80 HydrophobicContact CZ-CD2 3.81Å; F71-F80 HydrophobicContact CZ-CE1 4.32Å; F71-F80 HydrophobicContact CZ-CE2 4.39Å; F71-F80 AromaticContact CZ-CG 3.42Å; F71-F80 HydrophobicContact CZ-CG 3.42Å; F71-F80 VanDerWaalsContact CZ-CG 3.42Å
72N84.2Confident81.8Confident87 Ų8752.7 Ų52.747%0.46529%0.292SS..SBendtrans-82.5-41.5168.6-64.3-37.2000110.8L29 R56L29-N72 VanDerWaalsContact CD1-O 3.23Å; L29-N72 WeakPolarHBondContact CD1-O 3.46Å; R56-N72 WeakPolarHBondContact CB-OD1 3.36Å
73D78.9Confident82Confident92 Ų9254.1 Ų54.149%0.49229%0.293SS..  trans-113144.2-174.3-67.8-59.3000112.8E75 D76 M77D73-E75 VanDerWaalsContact C-N 3.34Å; D73-D76 HydrophobicContact CB-CB 4.47Å; D73-M77 PolarHBondContact O-N 3.23Å
74I76.5Confident82.1Confident21 Ų2150.8 Ų50.811%0.10826%0.262CS..Hα-helixtrans-69.4-36179.6-65.6166.3000110.6F21 L24 E25 L29 M77 I78F21-I74 HydrophobicContact CE2-CG2 4.08Å; F21-I74 HydrophobicContact CZ-CB 4.44Å; F21-I74 HydrophobicContact CZ-CD1 4.33Å; F21-I74 HydrophobicContact CZ-CG2 3.92Å; L24-I74 HydrophobicContact CB-CD1 4Å; E25-I74 HydrophobicContact CG-CD1 4.36Å; L29-I74 HydrophobicContact CD1-CG1 3.83Å; L29-I74 HydrophobicContact CD2-CD1 4.34Å; L29-I74 HydrophobicContact CD2-CG1 3.47Å; L29-I74 VanDerWaalsContact CD2-CG1 3.47Å; L29-I74 HydrophobicContact CG-CG1 4.31Å; I74-M77 WeakPolarHBondContact O-CB 3.48Å; I74-M77 PolarHBondContact O-N 3.06Å; I74-I78 HydrophobicContact CG2-CD1 3.73Å; I74-I78 HydrophobicContact CG2-CG1 4.31Å; I74-I78 VanDerWaalsContact O-CG1 3.28Å; I74-I78 WeakPolarHBondContact O-CG1 3.36Å; I74-I78 PolarHBondContact O-N 2.95Å
75E76.7Confident82.2Confident151 Ų15149.3 Ų49.371%0.70625%0.254SS*.Hα-helixtrans-65.3-47.3-177.5-61.8-169.1167.200111.2D73 M77 I78 A79D73-E75 VanDerWaalsContact C-N 3.34Å; E75-M77 VanDerWaalsContact C-N 3.31Å; E75-M77 PolarHBondContact O-N 2.94Å; E75-I78 PolarHBondContact O-N 3.49Å; E75-I78 VanDerWaalsContact O-N 3.16Å; E75-A79 WeakPolarHBondContact O-CB 3.47Å; E75-A79 PolarHBondContact O-N 3.2Å
76D80.1Confident81.8Confident48 Ų4851.1 Ų51.126%0.25727%0.272SS..Hα-helixtrans-60.7-41.5175.6-72.2-16.6000112P53 F71 D73 I78 A79 F80P53-D76 HydrophobicContact CB-CB 4Å; F71-D76 HydrophobicContact CD1-CB 4.09Å; D73-D76 HydrophobicContact CB-CB 4.47Å; D76-I78 VanDerWaalsContact C-N 3.34Å; D76-I78 PolarHBondContact O-N 3.26Å; D76-A79 PolarHBondContact O-N 2.99Å; D76-F80 WeakPolarHBondContact O-CB 3.39Å; D76-F80 PolarHBondContact O-N 3.38Å
77M81.2Confident81.6Confident9 Ų953.1 Ų53.14%0.04428%0.282CS..Hα-helixtrans-62-42.1176-174.6-154.468.800112.1L29 V31 F71 D73 I74 E75 R81 L103 Q107L29-M77 HydrophobicContact CB-SD 4.23Å; L29-M77 HydrophobicContact CD2-SD 4.36Å; V31-M77 HydrophobicContact CG2-CG 3.47Å; V31-M77 VanDerWaalsContact CG2-CG 3.47Å; V31-M77 HydrophobicContact CG2-SD 4.29Å; F71-M77 HydrophobicContact CB-CB 3.94Å; F71-M77 HydrophobicContact CD1-CB 4.48Å; F71-M77 HydrophobicContact CD2-CB 3.68Å; F71-M77 HydrophobicContact CD2-CG 3.6Å; F71-M77 HydrophobicContact CE2-CB 4.31Å; F71-M77 HydrophobicContact CE2-CG 4.09Å; F71-M77 HydrophobicContact CG-CB 3.76Å; F71-M77 HydrophobicContact CG-CG 4.21Å; D73-M77 PolarHBondContact O-N 3.23Å; I74-M77 WeakPolarHBondContact O-CB 3.48Å; I74-M77 PolarHBondContact O-N 3.06Å; E75-M77 VanDerWaalsContact C-N 3.31Å; E75-M77 PolarHBondContact O-N 2.94Å; M77-R81 WeakPolarHBondContact O-CB 3.21Å; M77-R81 PolarHBondContact O-N 3.49Å; M77-L103 HydrophobicContact CE-CD2 4.26Å; M77-L103 HydrophobicContact SD-CD2 4.25Å; M77-Q107 PolarHBondContact SD-NE2 3.15Å; M77-Q107 PolarHBondContact SD-OE1 2.97Å
78I77.5Confident81.2Confident65 Ų6555.9 Ų55.933%0.33330%0.299SS..Hα-helixtrans-67.6-46.9177.6-69.3168.6000110I74 E75 D76 F80 R81 D82I74-I78 HydrophobicContact CG2-CD1 3.73Å; I74-I78 HydrophobicContact CG2-CG1 4.31Å; I74-I78 VanDerWaalsContact O-CG1 3.28Å; I74-I78 WeakPolarHBondContact O-CG1 3.36Å; I74-I78 PolarHBondContact O-N 2.95Å; E75-I78 PolarHBondContact O-N 3.49Å; E75-I78 VanDerWaalsContact O-N 3.16Å; D76-I78 VanDerWaalsContact C-N 3.34Å; D76-I78 PolarHBondContact O-N 3.26Å; I78-F80 PolarHBondContact O-N 2.68Å; I78-R81 PolarHBondContact O-N 3.04Å; I78-D82 WeakPolarHBondContact O-CB 3.43Å; I78-D82 PolarHBondContact O-N 3.41Å
79A79.6Confident81Confident46 Ų4653 Ų5338%0.3829%0.287SS..Hα-helixtrans-58.8-48.5178.200000111E75 D76 R81 D82 I83E75-A79 WeakPolarHBondContact O-CB 3.47Å; E75-A79 PolarHBondContact O-N 3.2Å; D76-A79 PolarHBondContact O-N 2.99Å; A79-R81 VanDerWaalsContact C-N 3.34Å; A79-R81 PolarHBondContact O-N 3.1Å; A79-D82 PolarHBondContact O-N 3.01Å; A79-I83 WeakPolarHBondContact O-CB 3.32Å; A79-I83 WeakPolarHBondContact O-CD1 3.4Å; A79-I83 WeakPolarHBondContact O-CG1 3.5Å; A79-I83 PolarHBondContact O-N 2.76Å
80F85.5Confident80.7Confident2 Ų256.2 Ų56.21%0.00931%0.307CS..Hα-helixtrans-55.5-49.4175.4-177.5-92.3000111.7V31 I33 V49 L52 P53 L69 F71 D76 I78 D82 I83 F84V31-F80 HydrophobicContact CG1-CD1 4.37Å; V31-F80 HydrophobicContact CG1-CE1 4.24Å; I33-F80 HydrophobicContact CD1-CE1 3.92Å; I33-F80 HydrophobicContact CD1-CZ 3.91Å; I33-F80 HydrophobicContact CG1-CE1 4.47Å; V49-F80 HydrophobicContact CG1-CD2 4.47Å; V49-F80 HydrophobicContact CG1-CE2 3.35Å; V49-F80 HydrophobicContact CG1-CZ 3.81Å; L52-F80 HydrophobicContact CD2-CE2 4.09Å; P53-F80 HydrophobicContact CG-CB 4.41Å; P53-F80 HydrophobicContact CG-CD2 4.09Å; L69-F80 HydrophobicContact CD2-CD2 4.4Å; L69-F80 HydrophobicContact CD2-CE1 4.05Å; L69-F80 HydrophobicContact CD2-CE2 3.89Å; L69-F80 HydrophobicContact CD2-CZ 3.72Å; F71-F80 HydrophobicContact CE1-CB 4.06Å; F71-F80 HydrophobicContact CE1-CD2 4.35Å; F71-F80 HydrophobicContact CE1-CG 4.19Å; F71-F80 HydrophobicContact CE2-CB 4.4Å; F71-F80 HydrophobicContact CE2-CD1 4.12Å; F71-F80 HydrophobicContact CE2-CG 4.26Å; F71-F80 HydrophobicContact CZ-CB 3.6Å; F71-F80 AromaticContact CZ-CD1 3.7Å; F71-F80 HydrophobicContact CZ-CD1 3.7Å; F71-F80 AromaticContact CZ-CD2 3.81Å; F71-F80 HydrophobicContact CZ-CD2 3.81Å; F71-F80 HydrophobicContact CZ-CE1 4.32Å; F71-F80 HydrophobicContact CZ-CE2 4.39Å; F71-F80 AromaticContact CZ-CG 3.42Å; F71-F80 HydrophobicContact CZ-CG 3.42Å; F71-F80 VanDerWaalsContact CZ-CG 3.42Å; D76-F80 WeakPolarHBondContact O-CB 3.39Å; D76-F80 PolarHBondContact O-N 3.38Å; I78-F80 PolarHBondContact O-N 2.68Å; F80-D82 PolarHBondContact O-N 2.94Å; F80-I83 PolarHBondContact O-N 3.47Å; F80-F84 HydrophobicContact CD1-CD2 4.21Å; F80-F84 AromaticContact CD2-CD2 3.49Å; F80-F84 HydrophobicContact CD2-CD2 3.49Å; F80-F84 VanDerWaalsContact CD2-CD2 3.49Å; F80-F84 AromaticContact CD2-CE2 3.56Å; F80-F84 HydrophobicContact CD2-CE2 3.56Å; F80-F84 HydrophobicContact CE1-CD2 4.17Å; F80-F84 AromaticContact CE2-CD2 3.47Å; F80-F84 HydrophobicContact CE2-CD2 3.47Å; F80-F84 VanDerWaalsContact CE2-CD2 3.47Å; F80-F84 AromaticContact CE2-CE2 3.54Å; F80-F84 HydrophobicContact CE2-CE2 3.54Å; F80-F84 HydrophobicContact CE2-CG 4.44Å; F80-F84 AromaticContact CG-CD2 3.87Å; F80-F84 HydrophobicContact CG-CD2 3.87Å; F80-F84 HydrophobicContact CG-CE2 4.35Å; F80-F84 AromaticContact CZ-CD2 3.82Å; F80-F84 HydrophobicContact CZ-CD2 3.82Å; F80-F84 HydrophobicContact CZ-CE2 4.29Å; F80-F84 HydrophobicContact CZ-CG 4.43Å; F80-F84 WeakPolarHBondContact O-CB 3.18Å; F80-F84 VanDerWaalsContact O-CD2 3.23Å; F80-F84 WeakPolarHBondContact O-CD2 3.3Å; F80-F84 PolarHBondContact O-N 3.2Å
81R81.2Confident80.5Confident66 Ų6655.4 Ų55.425%0.24930%0.302CS..Hα-helixtrans-59.7-48.5178.2-177.4-157.7-179.9-160.9-5.1111.1M77 I78 A79 I83 F84 N85 V101 L103M77-R81 WeakPolarHBondContact O-CB 3.21Å; M77-R81 PolarHBondContact O-N 3.49Å; I78-R81 PolarHBondContact O-N 3.04Å; A79-R81 VanDerWaalsContact C-N 3.34Å; A79-R81 PolarHBondContact O-N 3.1Å; R81-I83 VanDerWaalsContact C-N 3.3Å; R81-I83 PolarHBondContact O-N 3.13Å; R81-F84 PolarHBondContact O-N 3.46Å; R81-N85 WeakPolarHBondContact O-CA 3.31Å; R81-N85 WeakPolarHBondContact O-CB 3.24Å; R81-N85 PolarHBondContact O-N 3.1Å; R81-V101 HydrophobicContact CG-CG1 4.21Å; R81-L103 HydrophobicContact CG-CD2 4.33Å
82D77.9Confident80.2Confident107 Ų10759.4 Ų59.457%0.57233%0.33SS*.Hα-helixtrans-69-30.9-174-73.1-10.6000112.3I78 A79 F80I78-D82 WeakPolarHBondContact O-CB 3.43Å; I78-D82 PolarHBondContact O-N 3.41Å; A79-D82 PolarHBondContact O-N 3.01Å; F80-D82 PolarHBondContact O-N 2.94Å
83I82.7Confident80Confident117 Ų11762.6 Ų62.660%0.634%0.34SS*.Hα-helixtrans-74-48.2175.5-66.2164.3000111.2A79 F80 R81A79-I83 WeakPolarHBondContact O-CB 3.32Å; A79-I83 WeakPolarHBondContact O-CD1 3.4Å; A79-I83 WeakPolarHBondContact O-CG1 3.5Å; A79-I83 PolarHBondContact O-N 2.76Å; F80-I83 PolarHBondContact O-N 3.47Å; R81-I83 VanDerWaalsContact C-N 3.3Å; R81-I83 PolarHBondContact O-N 3.13Å
84F82.7Confident79.6Confident21 Ų2160.6 Ų60.69%0.09234%0.341CS..Hα-helixtrans-91.7-10.2-171.6-67.8-70.9000114.2V49 F80 R81 G86 H87 V101V49-F84 HydrophobicContact CB-CE1 4.16Å; V49-F84 HydrophobicContact CB-CZ 4.06Å; V49-F84 HydrophobicContact CG1-CD2 4.33Å; V49-F84 HydrophobicContact CG1-CE1 4.05Å; V49-F84 HydrophobicContact CG1-CE2 3.75Å; V49-F84 HydrophobicContact CG1-CZ 3.59Å; V49-F84 HydrophobicContact CG2-CD1 4.34Å; V49-F84 HydrophobicContact CG2-CE1 4Å; V49-F84 HydrophobicContact CG2-CZ 4.37Å; V49-F84 WeakPolarHBondContact O-CZ 3.33Å; F80-F84 HydrophobicContact CD1-CD2 4.21Å; F80-F84 AromaticContact CD2-CD2 3.49Å; F80-F84 HydrophobicContact CD2-CD2 3.49Å; F80-F84 VanDerWaalsContact CD2-CD2 3.49Å; F80-F84 AromaticContact CD2-CE2 3.56Å; F80-F84 HydrophobicContact CD2-CE2 3.56Å; F80-F84 HydrophobicContact CE1-CD2 4.17Å; F80-F84 AromaticContact CE2-CD2 3.47Å; F80-F84 HydrophobicContact CE2-CD2 3.47Å; F80-F84 VanDerWaalsContact CE2-CD2 3.47Å; F80-F84 AromaticContact CE2-CE2 3.54Å; F80-F84 HydrophobicContact CE2-CE2 3.54Å; F80-F84 HydrophobicContact CE2-CG 4.44Å; F80-F84 AromaticContact CG-CD2 3.87Å; F80-F84 HydrophobicContact CG-CD2 3.87Å; F80-F84 HydrophobicContact CG-CE2 4.35Å; F80-F84 AromaticContact CZ-CD2 3.82Å; F80-F84 HydrophobicContact CZ-CD2 3.82Å; F80-F84 HydrophobicContact CZ-CE2 4.29Å; F80-F84 HydrophobicContact CZ-CG 4.43Å; F80-F84 WeakPolarHBondContact O-CB 3.18Å; F80-F84 VanDerWaalsContact O-CD2 3.23Å; F80-F84 WeakPolarHBondContact O-CD2 3.3Å; F80-F84 PolarHBondContact O-N 3.2Å; R81-F84 PolarHBondContact O-N 3.46Å; F84-G86 PolarHBondContact O-N 3.43Å; F84-G86 VanDerWaalsContact O-N 3.07Å; F84-H87 HydrophobicContact CB-CB 4.49Å; F84-H87 HydrophobicContact CD1-CB 4.24Å; F84-H87 VanDerWaalsContact O-CB 3.24Å; F84-H87 WeakPolarHBondContact O-CB 3.43Å; F84-H87 PolarHBondContact O-N 2.97Å; F84-V101 HydrophobicContact CB-CG2 3.86Å; F84-V101 WeakPolarHBondContact O-CG2 3.4Å
85N77.5Confident79.5Confident83 Ų8365.3 Ų65.344%0.44436%0.361SS..THydrogen-bonded Turntrans-68.1109176.6-177.823000110.8R81 V101R81-N85 WeakPolarHBondContact O-CA 3.31Å; R81-N85 WeakPolarHBondContact O-CB 3.24Å; R81-N85 PolarHBondContact O-N 3.1Å; N85-V101 HydrophobicContact CB-CB 4.36Å
86G72.5Confident79.2Confident43 Ų4363.5 Ų63.544%0.44336%0.355SS..THydrogen-bonded Turntrans927.6-173.900000113.9F84 F99F84-G86 PolarHBondContact O-N 3.43Å; F84-G86 VanDerWaalsContact O-N 3.07Å; G86-F99 PolarHBondContact N-O 2.68Å
87H80.3Confident78.3Confident67 Ų6763 Ų6331%0.3135%0.354SS..  trans-65.6143.4171-166.278.7000111F84 F89F84-H87 HydrophobicContact CB-CB 4.49Å; F84-H87 HydrophobicContact CD1-CB 4.24Å; F84-H87 VanDerWaalsContact O-CB 3.24Å; F84-H87 WeakPolarHBondContact O-CB 3.43Å; F84-H87 PolarHBondContact O-N 2.97Å; H87-F89 HydrophobicContact CB-CE2 4.08Å; H87-F89 AromaticContact CD2-CD2 3.99Å; H87-F89 AromaticContact CD2-CE2 3.85Å; H87-F89 AromaticContact CD2-CZ 3.96Å
88V80.9Confident77.2Confident59 Ų5969 Ų6936%0.35839%0.385SS..EExtended strand (participates in β ladder)trans-100.9114.8-179.4-178.70000108.1L96 L98V88-L96 HydrophobicContact CG1-CB 4.28Å; V88-L96 HydrophobicContact CG1-CD2 4.18Å; V88-L98 HydrophobicContact CG2-CD2 3.6Å; V88-L98 HydrophobicContact CG2-CG 4.07Å
89F83.1Confident76.7Confident0 Ų066.2 Ų66.20%037%0.371CS..EExtended strand (participates in β ladder)trans-92.5133.8177-66-101000109.1L36 P37 L40 F45 M48 V49 H87 F99L36-F89 HydrophobicContact CD2-CB 4.48Å; L36-F89 HydrophobicContact CD2-CD1 4.14Å; L36-F89 HydrophobicContact CD2-CD2 4.18Å; L36-F89 HydrophobicContact CD2-CE1 4.4Å; L36-F89 HydrophobicContact CD2-CE2 4.38Å; L36-F89 HydrophobicContact CD2-CG 4Å; L36-F89 HydrophobicContact CD2-CZ 4.5Å; P37-F89 HydrophobicContact CG-CB 4.21Å; L40-F89 HydrophobicContact CD2-CD1 4.3Å; F45-F89 HydrophobicContact CD2-CD1 4.12Å; F45-F89 AromaticContact CD2-CE1 3.67Å; F45-F89 HydrophobicContact CD2-CE1 3.67Å; F45-F89 HydrophobicContact CE2-CD1 4.32Å; F45-F89 AromaticContact CE2-CE1 3.49Å; F45-F89 HydrophobicContact CE2-CE1 3.49Å; F45-F89 VanDerWaalsContact CE2-CE1 3.49Å; F45-F89 AromaticContact CE2-CZ 3.91Å; F45-F89 HydrophobicContact CE2-CZ 3.91Å; M48-F89 HydrophobicContact CE-CB 4.43Å; M48-F89 HydrophobicContact CE-CD1 3.75Å; M48-F89 HydrophobicContact SD-CD1 4.09Å; V49-F89 HydrophobicContact CG2-CE1 3.74Å; V49-F89 HydrophobicContact CG2-CZ 4.14Å; H87-F89 HydrophobicContact CB-CE2 4.08Å; H87-F89 AromaticContact CD2-CD2 3.99Å; H87-F89 AromaticContact CD2-CE2 3.85Å; H87-F89 AromaticContact CD2-CZ 3.96Å; F89-F99 HydrophobicContact CB-CD2 3.98Å; F89-F99 HydrophobicContact CB-CE2 4.04Å; F89-F99 HydrophobicContact CD2-CB 4.28Å; F89-F99 AromaticContact CD2-CD2 3.59Å; F89-F99 HydrophobicContact CD2-CD2 3.59Å; F89-F99 HydrophobicContact CD2-CE2 4.47Å; F89-F99 HydrophobicContact CD2-CG 4.4Å; F89-F99 HydrophobicContact CE2-CB 4.4Å; F89-F99 HydrophobicContact CE2-CD2 4.42Å; F89-F99 HydrophobicContact CG-CD2 4.09Å
90V83.3Confident75.8Confident69 Ų6966.1 Ų66.142%0.41837%0.367SS..EExtended strand (participates in β ladder)trans-114127.2-177-169.60000108.7L96V90-L96 HydrophobicContact CB-CD2 4Å; V90-L96 HydrophobicContact CG1-CD2 3.72Å; V90-L96 HydrophobicContact CG2-CD2 3.37Å
91D83.4Confident75Confident6 Ų666.3 Ų66.33%0.03237%0.368CS..  trans-85.9158.9173.6-164.8-12.6000110.8P37 N39 K93 G94 K95P37-D91 HydrophobicContact CB-CB 3.74Å; P37-D91 HydrophobicContact CG-CB 4.37Å; N39-D91 WeakPolarHBondContact CA-OD2 3.18Å; N39-D91 WeakPolarHBondContact CB-OD1 3.46Å; N39-D91 WeakPolarHBondContact CB-OD2 3.28Å; N39-D91 PolarHBondContact N-OD2 2.82Å; N39-D91 PolarHBondContact ND2-OD2 3.39Å; D91-K93 PolarHBondContact O-N 3.39Å; D91-K93 VanDerWaalsContact O-N 3.09Å; D91-G94 WeakPolarHBondContact O-CA 3.33Å; D91-G94 PolarHBondContact O-N 3.42Å; D91-K95 HydrophobicContact CB-CB 4.39Å; D91-K95 PolarHBondContact N-O 2.86Å
92S78.7Confident74.2Confident89 Ų8967.5 Ų67.562%0.62238%0.377SS*.THydrogen-bonded Turntrans-48.5-31.917059.90000113.8G94S92-G94 VanDerWaalsContact C-N 3.3Å; S92-G94 PolarHBondContact O-N 2.74Å
93K79.8Confident73.6Confident154 Ų15463.1 Ų63.167%0.6735%0.354SS*.THydrogen-bonded Turntrans-83.84.2176.2-61.9-175.4-173.4163.30114.4N39 D91 K95N39-K93 PolarHBondContact OD1-NZ 3.23Å; D91-K93 PolarHBondContact O-N 3.39Å; D91-K93 VanDerWaalsContact O-N 3.09Å; K93-K95 VanDerWaalsContact C-N 3.32Å; K93-K95 PolarHBondContact O-N 3.21Å
94G70.9Confident72.6Confident50 Ų5057.9 Ų57.952%0.51533%0.328SS..  trans75.513.7-179.600000115D91 S92 L96D91-G94 WeakPolarHBondContact O-CA 3.33Å; D91-G94 PolarHBondContact O-N 3.42Å; S92-G94 VanDerWaalsContact C-N 3.3Å; S92-G94 PolarHBondContact O-N 2.74Å; G94-L96 PolarHBondContact O-N 2.82Å
95K74.8Confident71.1Confident120 Ų12062.2 Ų62.252%0.52235%0.351SS..  trans-73.8115176.1-171.7176.1-179.8-1800109.5D91 K93D91-K95 HydrophobicContact CB-CB 4.39Å; D91-K95 PolarHBondContact N-O 2.86Å; K93-K95 VanDerWaalsContact C-N 3.32Å; K93-K95 PolarHBondContact O-N 3.21Å
96L69.8Low69.7Low113 Ų11361 Ų6159%0.59235%0.349SS*.EExtended strand (participates in β ladder)trans-92.9129175.1-56.8178.7000109.8V88 V90 G94V88-L96 HydrophobicContact CG1-CB 4.28Å; V88-L96 HydrophobicContact CG1-CD2 4.18Å; V90-L96 HydrophobicContact CB-CD2 4Å; V90-L96 HydrophobicContact CG1-CD2 3.72Å; V90-L96 HydrophobicContact CG2-CD2 3.37Å; G94-L96 PolarHBondContact O-N 2.82Å
97T62.2Low68.6Low38 Ų3859.6 Ų59.623%0.23333%0.331CS..EExtended strand (participates in β ladder)trans-141.6128.9174.424.50000109.8F99T97-F99 VanDerWaalsContact CB-CE2 3.46Å; T97-F99 HydrophobicContact CG2-CE1 4.38Å; T97-F99 HydrophobicContact CG2-CZ 4Å; T97-F99 VanDerWaalsContact O-CD2 3.24Å; T97-F99 WeakPolarHBondContact O-CD2 3.39Å; T97-F99 VanDerWaalsContact O-CE2 3.26Å; T97-F99 WeakPolarHBondContact O-CE2 3.48Å; T97-F99 WeakPolarHBondContact OG1-CE2 3.4Å; T97-F99 WeakPolarHBondContact OG1-CZ 3.45Å
98L58Low67.1Low133 Ų13359.8 Ų59.870%0.69633%0.334SS*.EExtended strand (participates in β ladder)trans-79.6121.2177.5-84.4152.4000109.3V88V88-L98 HydrophobicContact CG2-CD2 3.6Å; V88-L98 HydrophobicContact CG2-CG 4.07Å
99F65.2Low65.3Low7 Ų760.4 Ų60.43%0.03134%0.337CS..  trans-114.3124.1-175.4-65.3-55000114.1R34 R35 L36 P37 G86 F89 T97 V101R34-F99 WeakPolarHBondContact O-CD1 3.35Å; R35-F99 HydrophobicContact CB-CD1 3.6Å; R35-F99 HydrophobicContact CB-CE1 3.39Å; R35-F99 HydrophobicContact CB-CZ 4.48Å; R35-F99 WeakPolarHBondContact O-CE1 3.45Å; R35-F99 WeakPolarHBondContact O-CZ 3.38Å; L36-F99 HydrophobicContact CD2-CD2 3.88Å; L36-F99 HydrophobicContact CD2-CE2 4.15Å; L36-F99 HydrophobicContact CD2-CG 4.39Å; P37-F99 VanDerWaalsContact CD-CE2 3.47Å; P37-F99 HydrophobicContact CG-CE2 3.93Å; P37-F99 HydrophobicContact CG-CZ 4.36Å; G86-F99 PolarHBondContact N-O 2.68Å; F89-F99 HydrophobicContact CB-CD2 3.98Å; F89-F99 HydrophobicContact CB-CE2 4.04Å; F89-F99 HydrophobicContact CD2-CB 4.28Å; F89-F99 AromaticContact CD2-CD2 3.59Å; F89-F99 HydrophobicContact CD2-CD2 3.59Å; F89-F99 HydrophobicContact CD2-CE2 4.47Å; F89-F99 HydrophobicContact CD2-CG 4.4Å; F89-F99 HydrophobicContact CE2-CB 4.4Å; F89-F99 HydrophobicContact CE2-CD2 4.42Å; F89-F99 HydrophobicContact CG-CD2 4.09Å; T97-F99 VanDerWaalsContact CB-CE2 3.46Å; T97-F99 HydrophobicContact CG2-CE1 4.38Å; T97-F99 HydrophobicContact CG2-CZ 4Å; T97-F99 VanDerWaalsContact O-CD2 3.24Å; T97-F99 WeakPolarHBondContact O-CD2 3.39Å; T97-F99 VanDerWaalsContact O-CE2 3.26Å; T97-F99 WeakPolarHBondContact O-CE2 3.48Å; T97-F99 WeakPolarHBondContact OG1-CE2 3.4Å; T97-F99 WeakPolarHBondContact OG1-CZ 3.45Å; F99-V101 PolarHBondContact O-N 3.49Å
100P62.2Low63.4Low45 Ų4562.5 Ų62.529%0.29235%0.348SS..  trans-78122.4168.830.9-30.5000109.4M102P100-M102 HydrophobicContact CB-CE 3.86Å; P100-M102 HydrophobicContact CG-CE 3.89Å; P100-M102 PolarHBondContact O-N 2.75Å
101V67.9Low61.5Low5 Ų564.2 Ų64.23%0.0335%0.351CS..EExtended strand (participates in β ladder)trans-71111.8166.6178.20000107.6V31 I33 R81 F84 N85 F99V31-V101 HydrophobicContact CG1-CG1 3.33Å; I33-V101 HydrophobicContact CG1-CG1 4.33Å; I33-V101 HydrophobicContact CG1-CG2 4.25Å; R81-V101 HydrophobicContact CG-CG1 4.21Å; F84-V101 HydrophobicContact CB-CG2 3.86Å; F84-V101 WeakPolarHBondContact O-CG2 3.4Å; N85-V101 HydrophobicContact CB-CB 4.36Å; F99-V101 PolarHBondContact O-N 3.49Å
102M64.3Low59.5Low91 Ų9165.3 Ų65.345%0.44836%0.359SS..EExtended strand (participates in β ladder)trans-99.2128.1-179.2-68.7-69-174.500109.4V32 P100V32-M102 CarbonylContact C-O 3.58Å; V32-M102 WeakPolarHBondContact CA-O 3.32Å; V32-M102 PolarHBondContact N-O 3.13Å; V32-M102 CarbonylContact O-C 3.54Å; V32-M102 WeakPolarHBondContact O-CA 3.49Å; V32-M102 PolarHBondContact O-N 3.25Å; P100-M102 HydrophobicContact CB-CE 3.86Å; P100-M102 HydrophobicContact CG-CE 3.89Å; P100-M102 PolarHBondContact O-N 2.75Å
103L65.2Low57.7Low15 Ų1567.8 Ų67.88%0.07935%0.354CS..EExtended strand (participates in β ladder)trans-69.1144.6167.9-64.7174.1000109.5V31 M77 R81 Q107V31-L103 HydrophobicContact CG2-CD2 3.93Å; M77-L103 HydrophobicContact CE-CD2 4.26Å; M77-L103 HydrophobicContact SD-CD2 4.25Å; R81-L103 HydrophobicContact CG-CD2 4.33Å; L103-Q107 HydrophobicContact CB-CB 3.84Å; L103-Q107 HydrophobicContact CD1-CB 4.25Å
104A62.7Low55.8Low7 Ų764.8 Ų64.86%0.05834%0.342CS..PPolyproline II helixtrans-55.2151.1176.600000111R30 V32 C106 Q107R30-A104 HydrophobicContact CB-CB 4.08Å; R30-A104 WeakPolarHBondContact O-CB 3.37Å; R30-A104 PolarHBondContact O-N 3.02Å; V32-A104 HydrophobicContact CG2-CB 4.4Å; A104-C106 PolarHBondContact O-N 3.45Å; A104-Q107 WeakPolarHBondContact O-CB 3.36Å; A104-Q107 PolarHBondContact O-N 2.87Å
105L51.2Low54.4Low112 Ų11264.1 Ų64.159%0.58633%0.331SS*.Hα-helixtrans-44.8-36.7-175.9-92.8131.1000114.1Q107 I108 Y148L105-Q107 PolarHBondContact O-N 3.34Å; L105-I108 PolarHBondContact O-N 2.87Å; L105-Y148 WeakPolarHBondContact CD2-OH 3.3Å
106C47.4Very low52.9Low58 Ų5862.9 Ų62.939%0.39232%0.324SS..Hα-helixtrans-62.1-28.9178.7-63.10000113.5A104 L110A104-C106 PolarHBondContact O-N 3.45Å; C106-L110 WeakPolarHBondContact O-CG 3.42Å
107Q49.9Very low51.5Low13 Ų1359.5 Ų59.56%0.06131%0.312CS..Hα-helixtrans-88.6-30.4-176.8-60.8-167.5-4800113.6R30 M77 L103 A104 L105 V109 L110 Q111R30-Q107 PolarHBondContact O-OE1 2.99Å; M77-Q107 PolarHBondContact SD-NE2 3.15Å; M77-Q107 PolarHBondContact SD-OE1 2.97Å; L103-Q107 HydrophobicContact CB-CB 3.84Å; L103-Q107 HydrophobicContact CD1-CB 4.25Å; A104-Q107 WeakPolarHBondContact O-CB 3.36Å; A104-Q107 PolarHBondContact O-N 2.87Å; L105-Q107 PolarHBondContact O-N 3.34Å; Q107-V109 PolarHBondContact O-N 3.26Å; Q107-L110 WeakPolarHBondContact O-CB 3.48Å; Q107-L110 PolarHBondContact O-N 3.48Å; Q107-L110 VanDerWaalsContact O-N 3.09Å; Q107-Q111 PolarHBondContact O-N 3.48Å
108I47.9Very low50.4Low72 Ų7267 Ų6737%0.36934%0.336SS..Hα-helixtrans-60.4-36.5173.4-62.9163.8000110L105 T112L105-I108 PolarHBondContact O-N 2.87Å; I108-T112 WeakPolarHBondContact O-CB 3.38Å; I108-T112 VanDerWaalsContact O-CG2 3.3Å; I108-T112 WeakPolarHBondContact O-CG2 3.38Å; I108-T112 PolarHBondContact O-N 2.89Å; I108-T112 PolarHBondContact O-OG1 3.42Å
109V44.2Very low49.6Very low72 Ų7264 Ų6444%0.43632%0.32SS..Hα-helixtrans-70-34.2176.6-1750000111.8Q107 T112 R113Q107-V109 PolarHBondContact O-N 3.26Å; V109-T112 VanDerWaalsContact CA-OG1 3.32Å; V109-T112 WeakPolarHBondContact CA-OG1 3.46Å; V109-T112 PolarHBondContact O-OG1 3.35Å; V109-R113 WeakPolarHBondContact O-CG 3.38Å; V109-R113 PolarHBondContact O-N 2.91Å; V109-R113 VanDerWaalsContact O-N 3.17Å
110L43.3Very low48.6Very low43 Ų4365.6 Ų65.623%0.22534%0.335CS..Hα-helixtrans-69.9-49176.5-69.8166.2000111.4L24 C27 C106 Q107 T112 R113 F114L24-L110 HydrophobicContact CD2-CD1 3.64Å; L24-L110 HydrophobicContact CD2-CD2 3.53Å; L24-L110 HydrophobicContact CD2-CG 4.11Å; C27-L110 HydrophobicContact CB-CD1 4.17Å; C106-L110 WeakPolarHBondContact O-CG 3.42Å; Q107-L110 WeakPolarHBondContact O-CB 3.48Å; Q107-L110 PolarHBondContact O-N 3.48Å; Q107-L110 VanDerWaalsContact O-N 3.09Å; L110-T112 PolarHBondContact O-N 2.96Å; L110-R113 PolarHBondContact O-N 3.47Å; L110-R113 VanDerWaalsContact O-N 3.15Å; L110-F114 HydrophobicContact CB-CE2 4.47Å; L110-F114 WeakPolarHBondContact O-CD2 2.88Å; L110-F114 PolarHBondContact O-N 3.33Å
111Q43.8Very low47.5Very low105 Ų10573 Ų7349%0.49136%0.357SS..Hα-helixtrans-63.7-40.9178.9-76.2-97.2-33.900111.9Q107 R113 F114 A115Q107-Q111 PolarHBondContact O-N 3.48Å; Q111-R113 VanDerWaalsContact C-N 3.33Å; Q111-R113 PolarHBondContact O-N 3.22Å; Q111-F114 PolarHBondContact O-N 3.46Å; Q111-A115 VanDerWaalsContact O-CB 3.27Å; Q111-A115 WeakPolarHBondContact O-CB 3.27Å; Q111-A115 PolarHBondContact O-N 2.87Å
112T41.3Very low46.3Very low30 Ų3077.6 Ų77.618%0.18438%0.38CS..Hα-helixtrans-59.9-44.9173.445.20000110.6I108 V109 L110 F114 A115 Y116 V155I108-T112 WeakPolarHBondContact O-CB 3.38Å; I108-T112 VanDerWaalsContact O-CG2 3.3Å; I108-T112 WeakPolarHBondContact O-CG2 3.38Å; I108-T112 PolarHBondContact O-N 2.89Å; I108-T112 PolarHBondContact O-OG1 3.42Å; V109-T112 VanDerWaalsContact CA-OG1 3.32Å; V109-T112 WeakPolarHBondContact CA-OG1 3.46Å; V109-T112 PolarHBondContact O-OG1 3.35Å; L110-T112 PolarHBondContact O-N 2.96Å; T112-F114 PolarHBondContact O-N 2.94Å; T112-A115 PolarHBondContact O-N 2.89Å; T112-Y116 WeakPolarHBondContact O-CB 2.72Å; T112-Y116 WeakPolarHBondContact O-CD2 3.35Å; T112-Y116 PolarHBondContact O-N 3.39Å; T112-V155 HydrophobicContact CG2-CG1 4.37Å; T112-V155 HydrophobicContact CG2-CG2 3.54Å
113R39.5Very low45Very low140 Ų14079.3 Ų79.353%0.52839%0.386SS..Hα-helixtrans-63.2-39.7174.8-73.8-177.576.7131.80.8113.7N18 V109 L110 Q111 Y116 A117N18-R113 PolarHBondContact OD1-NH2 3Å; V109-R113 WeakPolarHBondContact O-CG 3.38Å; V109-R113 PolarHBondContact O-N 2.91Å; V109-R113 VanDerWaalsContact O-N 3.17Å; L110-R113 PolarHBondContact O-N 3.47Å; L110-R113 VanDerWaalsContact O-N 3.15Å; Q111-R113 VanDerWaalsContact C-N 3.33Å; Q111-R113 PolarHBondContact O-N 3.22Å; R113-Y116 CarbonylContact O-C 3.51Å; R113-Y116 PolarHBondContact O-N 3.07Å; R113-A117 VanDerWaalsContact O-CB 3.3Å; R113-A117 WeakPolarHBondContact O-CB 3.25Å; R113-A117 PolarHBondContact O-N 3.4Å
114F40.3Very low43.9Very low92 Ų9283.9 Ų83.940%0.40441%0.409SS..Hα-helixtrans-70.7-37.6176.4-74.8-68.9000112.6L24 L110 Q111 T112 A117 R118L24-F114 HydrophobicContact CD1-CE2 3.81Å; L24-F114 HydrophobicContact CD1-CZ 4.09Å; L24-F114 HydrophobicContact CD2-CE2 4.37Å; L110-F114 HydrophobicContact CB-CE2 4.47Å; L110-F114 WeakPolarHBondContact O-CD2 2.88Å; L110-F114 PolarHBondContact O-N 3.33Å; Q111-F114 PolarHBondContact O-N 3.46Å; T112-F114 PolarHBondContact O-N 2.94Å; F114-A117 PolarHBondContact O-N 3.49Å; F114-R118 VanDerWaalsContact O-CB 3.31Å; F114-R118 WeakPolarHBondContact O-CB 3.33Å; F114-R118 PolarHBondContact O-N 3Å
115A41.8Very low42.8Very low35 Ų3587 Ų8729%0.28943%0.43SS..Hα-helixtrans-61.6-44.9170.400000110.5Q111 T112 A117 R118 L119Q111-A115 VanDerWaalsContact O-CB 3.27Å; Q111-A115 WeakPolarHBondContact O-CB 3.27Å; Q111-A115 PolarHBondContact O-N 2.87Å; T112-A115 PolarHBondContact O-N 2.89Å; A115-A117 PolarHBondContact O-N 2.97Å; A115-R118 PolarHBondContact O-N 3.42Å; A115-L119 VanDerWaalsContact O-CB 3.28Å; A115-L119 WeakPolarHBondContact O-CB 3.38Å; A115-L119 WeakPolarHBondContact O-CG 3.41Å; A115-L119 PolarHBondContact O-N 3.43Å
116Y43.1Very low42.2Very low95 Ų9585.6 Ų85.637%0.37343%0.426SS..Hα-helixtrans-65.7-34.3172.5-75.6-68.3000113.1T112 R113 L119 A120 F154T112-Y116 WeakPolarHBondContact O-CB 2.72Å; T112-Y116 WeakPolarHBondContact O-CD2 3.35Å; T112-Y116 PolarHBondContact O-N 3.39Å; R113-Y116 CarbonylContact O-C 3.51Å; R113-Y116 PolarHBondContact O-N 3.07Å; Y116-L119 CarbonylContact O-C 3.57Å; Y116-A120 WeakPolarHBondContact O-CA 3.38Å; Y116-A120 WeakPolarHBondContact O-CB 3.35Å; Y116-A120 PolarHBondContact O-N 3.14Å; Y116-F154 HydrophobicContact CE1-CD1 4.3Å; Y116-F154 AromaticContact CE1-CE1 3.6Å; Y116-F154 HydrophobicContact CE1-CE1 3.6Å; Y116-F154 HydrophobicContact CE1-CZ 4.14Å; Y116-F154 AromaticContact CZ-CD1 3.79Å; Y116-F154 AromaticContact CZ-CE1 3.57Å; Y116-F154 WeakPolarHBondContact OH-CD1 2.85Å; Y116-F154 WeakPolarHBondContact OH-CE1 3.32Å; Y116-F154 WeakPolarHBondContact OH-CG 3.43Å
117A40Very low41.4Very low41 Ų4189.8 Ų89.834%0.33943%0.433SS..Hα-helixtrans-71.6-37.1176.900000111.4R113 F114 A115 A120 R121R113-A117 VanDerWaalsContact O-CB 3.3Å; R113-A117 WeakPolarHBondContact O-CB 3.25Å; R113-A117 PolarHBondContact O-N 3.4Å; F114-A117 PolarHBondContact O-N 3.49Å; A115-A117 PolarHBondContact O-N 2.97Å; A117-A120 PolarHBondContact O-N 2.86Å; A117-R121 WeakPolarHBondContact O-CB 3.19Å; A117-R121 WeakPolarHBondContact O-CG 3.37Å; A117-R121 PolarHBondContact O-N 2.65Å
118R39.3Very low40.8Very low195 Ų19594.6 Ų94.674%0.73646%0.464SS*.Hα-helixtrans-68.5-43.3173.5-160.6171178.9144.8-0.9110.6F114 A115 R121 I122F114-R118 VanDerWaalsContact O-CB 3.31Å; F114-R118 WeakPolarHBondContact O-CB 3.33Å; F114-R118 PolarHBondContact O-N 3Å; A115-R118 PolarHBondContact O-N 3.42Å; R118-R121 PolarHBondContact O-N 3.11Å; R118-I122 WeakPolarHBondContact O-CG1 3.43Å; R118-I122 PolarHBondContact O-N 2.95Å
119L42Very low40.3Very low70 Ų7098 Ų9837%0.36648%0.482SS..Hα-helixtrans-65.2-36.9171.4-70.5171.5000112.1A115 Y116 I122 F123A115-L119 VanDerWaalsContact O-CB 3.28Å; A115-L119 WeakPolarHBondContact O-CB 3.38Å; A115-L119 WeakPolarHBondContact O-CG 3.41Å; A115-L119 PolarHBondContact O-N 3.43Å; Y116-L119 CarbonylContact O-C 3.57Å; L119-I122 CarbonylContact O-C 3.53Å; L119-I122 PolarHBondContact O-N 2.97Å; L119-F123 VanDerWaalsContact O-CB 3.27Å; L119-F123 WeakPolarHBondContact O-CB 3.45Å; L119-F123 PolarHBondContact O-N 3.49Å
120A44Very low40.1Very low42 Ų42101.8 Ų101.835%0.34749%0.493SS..Hα-helixtrans-71.8-34.317700000111.7Y116 A117 F123 I124Y116-A120 WeakPolarHBondContact O-CA 3.38Å; Y116-A120 WeakPolarHBondContact O-CB 3.35Å; Y116-A120 PolarHBondContact O-N 3.14Å; A117-A120 PolarHBondContact O-N 2.86Å; A120-F123 CarbonylContact O-C 3.52Å; A120-F123 PolarHBondContact O-N 3.43Å; A120-I124 WeakPolarHBondContact O-CB 3.48Å; A120-I124 WeakPolarHBondContact O-CG1 3.09Å; A120-I124 PolarHBondContact O-N 2.92Å
121R39.6Very low39.7Very low201 Ų201106.5 Ų106.576%0.75852%0.518SS*.Hα-helixtrans-63.8-42.9169.7-82.5-175.5171.1131.3-2.6111.5A117 R118 F123 S125A117-R121 WeakPolarHBondContact O-CB 3.19Å; A117-R121 WeakPolarHBondContact O-CG 3.37Å; A117-R121 PolarHBondContact O-N 2.65Å; R118-R121 PolarHBondContact O-N 3.11Å; R121-F123 VanDerWaalsContact C-N 3.31Å; R121-F123 PolarHBondContact O-N 3.42Å; R121-S125 WeakPolarHBondContact O-CB 3.48Å; R121-S125 PolarHBondContact O-N 3.26Å
122I41.2Very low39.1Very low101 Ų101111.1 Ų111.152%0.51854%0.54SS..Hα-helixtrans-61.9-42.1171.4-65.3164.9000109.9R118 L119 S125 V126R118-I122 WeakPolarHBondContact O-CG1 3.43Å; R118-I122 PolarHBondContact O-N 2.95Å; L119-I122 CarbonylContact O-C 3.53Å; L119-I122 PolarHBondContact O-N 2.97Å; I122-S125 PolarHBondContact O-N 3.41Å; I122-V126 HydrophobicContact CG2-CG2 4.37Å; I122-V126 WeakPolarHBondContact O-CB 3.32Å; I122-V126 WeakPolarHBondContact O-CG2 3.45Å; I122-V126 PolarHBondContact O-N 3.15Å
123F37.2Very low38.8Very low127 Ų127112.6 Ų112.656%0.55756%0.56SS**Hα-helixtrans-70.4-37.9-178-156.1-100.4000113L119 A120 R121 V126 R127L119-F123 VanDerWaalsContact O-CB 3.27Å; L119-F123 WeakPolarHBondContact O-CB 3.45Å; L119-F123 PolarHBondContact O-N 3.49Å; A120-F123 CarbonylContact O-C 3.52Å; A120-F123 PolarHBondContact O-N 3.43Å; R121-F123 VanDerWaalsContact C-N 3.31Å; R121-F123 PolarHBondContact O-N 3.42Å; F123-V126 PolarHBondContact O-N 3.17Å; F123-R127 WeakPolarHBondContact O-CB 3.43Å; F123-R127 PolarHBondContact O-N 3.44Å
124I42.1Very low38.3Very low110 Ų110111.9 Ų111.956%0.56457%0.572SS**Hα-helixtrans-69.3-36.8174.4-66.9163.9000110.4A120 R127 T128A120-I124 WeakPolarHBondContact O-CB 3.48Å; A120-I124 WeakPolarHBondContact O-CG1 3.09Å; A120-I124 PolarHBondContact O-N 2.92Å; I124-R127 PolarHBondContact O-N 2.88Å; I124-T128 PolarHBondContact O-N 3.4Å; I124-T128 PolarHBondContact O-OG1 2.79Å
125S39.3Very low37.8Very low72 Ų72113.5 Ų113.550%0.50359%0.589SS.*Hα-helixtrans-67.2-36.5173.2179.50000112.4R121 I122 T128R121-S125 WeakPolarHBondContact O-CB 3.48Å; R121-S125 PolarHBondContact O-N 3.26Å; I122-S125 PolarHBondContact O-N 3.41Å; S125-T128 PolarHBondContact O-OG1 3.44Å
126V39.3Very low37.1Very low83 Ų83121.1 Ų121.150%0.50361%0.611SS.*Hα-helixtrans-74.4-30.2175.1173.90000111.6I122 F123 L129 K130I122-V126 HydrophobicContact CG2-CG2 4.37Å; I122-V126 WeakPolarHBondContact O-CB 3.32Å; I122-V126 WeakPolarHBondContact O-CG2 3.45Å; I122-V126 PolarHBondContact O-N 3.15Å; F123-V126 PolarHBondContact O-N 3.17Å; V126-L129 PolarHBondContact O-N 3.38Å; V126-K130 PolarHBondContact O-N 2.9Å
127R30.1Very low36.5Very low146 Ų146126.2 Ų126.255%0.55163%0.629SS**Hα-helixtrans-84.5-26.7-177.4-160.2173.1-164.4170.84.2113.9F123 I124 L129 K130F123-R127 WeakPolarHBondContact O-CB 3.43Å; F123-R127 PolarHBondContact O-N 3.44Å; I124-R127 PolarHBondContact O-N 2.88Å; R127-L129 PolarHBondContact O-N 2.89Å; R127-K130 CarbonylContact O-C 3.44Å; R127-K130 PolarHBondContact O-N 2.84Å
128T37.3Very low36.2Very low114 Ų114130.9 Ų130.970%0.69965%0.649SS**Hα-helixtrans-67.9-19.8168.239.40000112.3I124 S125I124-T128 PolarHBondContact O-N 3.4Å; I124-T128 PolarHBondContact O-OG1 2.79Å; S125-T128 PolarHBondContact O-OG1 3.44Å
129L38.8Very low35.8Very low144 Ų144129.2 Ų129.275%0.75465%0.649SS**SBendtrans-91.1-14174.9-74165.3000114V126 R127V126-L129 PolarHBondContact O-N 3.38Å; R127-L129 PolarHBondContact O-N 2.89Å
130K39.9Very low35.1Very low152 Ų152136.7 Ų136.766%0.66167%0.672SS**SBendtrans-137.6102.2-179.6-73-173.8179-178.10111.6V126 R127V126-K130 PolarHBondContact O-N 2.9Å; R127-K130 CarbonylContact O-C 3.44Å; R127-K130 PolarHBondContact O-N 2.84Å
131N33.1Very low34.6Very low142 Ų142145.1 Ų145.176%0.75970%0.695SS**  trans95.396152.8-54.9-11.3000116.4
132H32.8Very low33.9Very low202 Ų202143.7 Ų143.794%0.93570%0.697SS**SBend-38.6128.7129.4-71.5-100.4000110.2
133G34.6Very low33.9Very low60 Ų60142.9 Ų142.962%0.61970%0.698SS**  trans98.685.6167.500000115.9
134T29.3Very low33.9Very low125 Ų125142.3 Ų142.377%0.76771%0.705SS**  174.6124.5123.927.30000111.1
135T29.8Very low33.7Very low127 Ų127143.2 Ų143.278%0.77972%0.716SS**  trans-78115.5-17950.70000111.2R137T135-R137 PolarHBondContact O-N 3.49Å
136W26.9Very low33.5Very low195 Ų195144.9 Ų144.974%0.73972%0.724SS**  trans-92.297.3171.2-81.981.8000110.3
137R29.1Very low33.3Very low202 Ų202144 Ų14476%0.76272%0.715SS**  trans-82134.2165.1-96.6-170-81.7-114.81.6110.1T135T135-R137 PolarHBondContact O-N 3.49Å
138N33.7Very low33.3Very low139 Ų139144.8 Ų144.874%0.74372%0.72SS**  trans6779.8149-57-21.4000119.6
139H31Very low33Very low159 Ų159144.4 Ų144.474%0.73672%0.72SS**  trans-105.798.7144-77.1-73.9000109.6
140R28.4Very low32.5Very low227 Ų227146.6 Ų146.686%0.85772%0.719SS**  trans-72120171.8179.2179.1-73.5-132-0.7108.6Q142R140-Q142 PolarHBondContact O-N 3.4Å
141W32.5Very low32.1Very low220 Ų220144.8 Ų144.883%0.83371%0.711SS**  trans-69.7118.2-178.3-68.186.4000111.4
142Q26Very low32.1Very low171 Ų171147.3 Ų147.380%0.79971%0.71SS**  trans-104.5111.3163.6-73-78.624.300108.1R140R140-Q142 PolarHBondContact O-N 3.4Å
143P41.7Very low32.3Very low83 Ų83146.4 Ų146.454%0.53970%0.698SS.*  trans-116.782.6-169.837.8-24.5000112.5I147P143-I147 HydrophobicContact CB-CD1 4.44Å
144T36.3Very low32.2Very low115 Ų115147.4 Ų147.471%0.70669%0.685SS**SBendtrans-148.7131.3161.250.40000110.7T146T144-T146 PolarHBondContact O-N 2.95Å
145T38.1Very low32.8Very low129 Ų129143.8 Ų143.879%0.79166%0.663SS**SBendtrans63.6-42168.360.20000120.8I147T145-I147 VanDerWaalsContact C-N 3.26Å; T145-I147 PolarHBondContact O-N 3.03Å
146T34.1Very low33.2Very low108 Ų108144.9 Ų144.966%0.66366%0.657SS**Hα-helixtrans-70.5-21.5-176.2-400000113.8T144 Y148T144-T146 PolarHBondContact O-N 2.95Å; T146-Y148 VanDerWaalsContact C-N 3.34Å; T146-Y148 PolarHBondContact O-N 2.9Å
147I34.9Very low33.5Very low65 Ų65142.1 Ų142.133%0.33365%0.65SS.*Hα-helixtrans-65.9-29.6-176.7-74169.7000113P143 T145 K151P143-I147 HydrophobicContact CB-CD1 4.44Å; T145-I147 VanDerWaalsContact C-N 3.26Å; T145-I147 PolarHBondContact O-N 3.03Å; I147-K151 HydrophobicContact CG2-CD 3.58Å; I147-K151 HydrophobicContact CG2-CG 3.94Å; I147-K151 VanDerWaalsContact O-CB 3.3Å; I147-K151 WeakPolarHBondContact O-CB 3.24Å; I147-K151 VanDerWaalsContact O-CG 3.24Å; I147-K151 WeakPolarHBondContact O-CG 3.3Å; I147-K151 PolarHBondContact O-N 3.02Å
148Y31.7Very low34.3Very low162 Ų162134.2 Ų134.264%0.63562%0.624SS**Hα-helixtrans-72.6-38.8-173-136.8-97.3000112.6L105 T146 K151 R152L105-Y148 WeakPolarHBondContact CD2-OH 3.3Å; T146-Y148 VanDerWaalsContact C-N 3.34Å; T146-Y148 PolarHBondContact O-N 2.9Å; Y148-K151 PolarHBondContact O-N 3.05Å; Y148-R152 PolarHBondContact O-N 3.4Å
149C31.1Very low34.8Very low106 Ų106133 Ų13372%0.71662%0.616SS**Hα-helixtrans-69.3-38.7174.8-79.50000112.5R153C149-R153 PolarHBondContact O-N 3.09Å
150W28Very low35.6Very low189 Ų189134.6 Ų134.672%0.71662%0.616SS**Hα-helixtrans-68.8-38.5175.2-110.166.2000112.3R152 R153 F154W150-R152 PolarHBondContact O-N 3.21Å; W150-R153 PolarHBondContact O-N 2.87Å; W150-F154 WeakPolarHBondContact O-CB 3.38Å; W150-F154 PolarHBondContact O-N 2.98Å
151K32Very low36.5Very low115 Ų115129.8 Ų129.850%0.560%0.601SS.*Hα-helixtrans-58.4-46.1175.3-83.6176.5176.4173.80112.1I147 Y148 R153 F154 V155I147-K151 HydrophobicContact CG2-CD 3.58Å; I147-K151 HydrophobicContact CG2-CG 3.94Å; I147-K151 VanDerWaalsContact O-CB 3.3Å; I147-K151 WeakPolarHBondContact O-CB 3.24Å; I147-K151 VanDerWaalsContact O-CG 3.24Å; I147-K151 WeakPolarHBondContact O-CG 3.3Å; I147-K151 PolarHBondContact O-N 3.02Å; Y148-K151 PolarHBondContact O-N 3.05Å; K151-R153 PolarHBondContact O-N 3.35Å; K151-F154 PolarHBondContact O-N 3.46Å; K151-V155 WeakPolarHBondContact O-CG2 3.25Å; K151-V155 PolarHBondContact O-N 3.23Å
152R32.5Very low37.7Very low194 Ų194123 Ų12373%0.73258%0.582SS**Hα-helixtrans-64-40.3-179.8-139.1179.9-166.5-141.44.8112.1Y148 W150 F156Y148-R152 PolarHBondContact O-N 3.4Å; W150-R152 PolarHBondContact O-N 3.21Å; R152-F156 PolarHBondContact O-N 2.95Å
153R36.2Very low39.2Very low184 Ų184120.1 Ų120.169%0.69457%0.571SS**Hα-helixtrans-69.8-31.4177.2-161.9163.9-170.2164.9-0.1112.6C149 W150 K151 K157C149-R153 PolarHBondContact O-N 3.09Å; W150-R153 PolarHBondContact O-N 2.87Å; K151-R153 PolarHBondContact O-N 3.35Å; R153-K157 WeakPolarHBondContact O-CG 3.43Å; R153-K157 PolarHBondContact O-N 3.34Å
154F33.2Very low40.3Very low80 Ų80120.1 Ų120.135%0.35157%0.57SS.*Hα-helixtrans-75.8-42.2179-150.5-70000112.6Y116 W150 K151 F156 K157 N158Y116-F154 HydrophobicContact CE1-CD1 4.3Å; Y116-F154 AromaticContact CE1-CE1 3.6Å; Y116-F154 HydrophobicContact CE1-CE1 3.6Å; Y116-F154 HydrophobicContact CE1-CZ 4.14Å; Y116-F154 AromaticContact CZ-CD1 3.79Å; Y116-F154 AromaticContact CZ-CE1 3.57Å; Y116-F154 WeakPolarHBondContact OH-CD1 2.85Å; Y116-F154 WeakPolarHBondContact OH-CE1 3.32Å; Y116-F154 WeakPolarHBondContact OH-CG 3.43Å; W150-F154 WeakPolarHBondContact O-CB 3.38Å; W150-F154 PolarHBondContact O-N 2.98Å; K151-F154 PolarHBondContact O-N 3.46Å; F154-F156 VanDerWaalsContact C-N 3.31Å; F154-F156 PolarHBondContact O-N 3Å; F154-K157 PolarHBondContact O-N 2.94Å; F154-N158 VanDerWaalsContact CD1-ND2 3.32Å; F154-N158 WeakPolarHBondContact CD1-ND2 3.28Å; F154-N158 VanDerWaalsContact CE1-ND2 3.25Å; F154-N158 WeakPolarHBondContact CE1-ND2 3.49Å; F154-N158 WeakPolarHBondContact CE1-OD1 3.48Å; F154-N158 PolarHBondContact O-N 3.47Å
155V41.6Very low42.2Very low50 Ų50117.3 Ų117.330%0.30355%0.552SS.*Hα-helixtrans-60.4-42176.4177.70000111.2T112 K151 N158 L159T112-V155 HydrophobicContact CG2-CG1 4.37Å; T112-V155 HydrophobicContact CG2-CG2 3.54Å; K151-V155 WeakPolarHBondContact O-CG2 3.25Å; K151-V155 PolarHBondContact O-N 3.23Å; V155-N158 PolarHBondContact O-N 3.25Å; V155-L159 WeakPolarHBondContact O-CB 3.34Å; V155-L159 PolarHBondContact O-N 3.36Å
156F37.6Very low43.6Very low150 Ų150112.9 Ų112.966%0.65853%0.528SS*.Hα-helixtrans-64.8-39.6176.1-98.8-86.4000113.2R152 F154 R160R152-F156 PolarHBondContact O-N 2.95Å; F154-F156 VanDerWaalsContact C-N 3.31Å; F154-F156 PolarHBondContact O-N 3Å; F156-R160 WeakPolarHBondContact O-CB 3.23Å; F156-R160 PolarHBondContact O-N 2.83Å; F156-R160 VanDerWaalsContact O-N 3.09Å
157K34.8Very low45.6Very low136 Ų136112.3 Ų112.359%0.59152%0.521SS*.Hα-helixtrans-65.6-42.4175.8-78.5-176.2176.8-173.60112R153 F154 R160 F161R153-K157 WeakPolarHBondContact O-CG 3.43Å; R153-K157 PolarHBondContact O-N 3.34Å; F154-K157 PolarHBondContact O-N 2.94Å; K157-R160 PolarHBondContact O-N 3.4Å; K157-F161 PolarHBondContact O-N 3.11Å
158N45Very low47.7Very low37 Ų37111.8 Ų111.820%0.19852%0.523CS..Hα-helixtrans-67.1-43.4177.2-78.7-9.1000112.3F154 V155 R160 F161 D162F154-N158 VanDerWaalsContact CD1-ND2 3.32Å; F154-N158 WeakPolarHBondContact CD1-ND2 3.28Å; F154-N158 VanDerWaalsContact CE1-ND2 3.25Å; F154-N158 WeakPolarHBondContact CE1-ND2 3.49Å; F154-N158 WeakPolarHBondContact CE1-OD1 3.48Å; F154-N158 PolarHBondContact O-N 3.47Å; V155-N158 PolarHBondContact O-N 3.25Å; N158-R160 VanDerWaalsContact C-N 3.27Å; N158-R160 PolarHBondContact O-N 2.86Å; N158-F161 WeakPolarHBondContact O-CA 3.44Å; N158-F161 WeakPolarHBondContact O-CB 3.45Å; N158-F161 PolarHBondContact O-N 3.47Å; N158-D162 PolarHBondContact O-N 3.02Å
159L44.7Very low50.1Low112 Ų112109.2 Ų109.259%0.58652%0.517SS*.Hα-helixtrans-62.9-36.7177.9-16968.8000111.6V155 F161 L163V155-L159 WeakPolarHBondContact O-CB 3.34Å; V155-L159 PolarHBondContact O-N 3.36Å; L159-F161 VanDerWaalsContact C-N 3.34Å; L159-L163 WeakPolarHBondContact O-CB 3.4Å; L159-L163 PolarHBondContact O-N 3.19Å
160R46.9Very low52.4Low194 Ų194112.6 Ų112.673%0.73252%0.515SS*.Hα-helixtrans-64.8-39172.5-170.4175.8178.9126.3-1.9111.6F156 K157 N158 T164F156-R160 WeakPolarHBondContact O-CB 3.23Å; F156-R160 PolarHBondContact O-N 2.83Å; F156-R160 VanDerWaalsContact O-N 3.09Å; K157-R160 PolarHBondContact O-N 3.4Å; N158-R160 VanDerWaalsContact C-N 3.27Å; N158-R160 PolarHBondContact O-N 2.86Å; R160-T164 WeakPolarHBondContact O-CB 3.49Å; R160-T164 PolarHBondContact O-N 3.45Å; R160-T164 PolarHBondContact O-OG1 3.25Å
161F47.8Very low55.2Low126 Ų126106.1 Ų106.155%0.55350%0.501SS*.Hα-helixtrans-65.3-47.3176.1-172.4-97.7000111.6K157 N158 L159 L163 T164 V165K157-F161 PolarHBondContact O-N 3.11Å; N158-F161 WeakPolarHBondContact O-CA 3.44Å; N158-F161 WeakPolarHBondContact O-CB 3.45Å; N158-F161 PolarHBondContact O-N 3.47Å; L159-F161 VanDerWaalsContact C-N 3.34Å; F161-L163 VanDerWaalsContact C-N 3.34Å; F161-L163 PolarHBondContact O-N 3.09Å; F161-T164 WeakPolarHBondContact O-CB 3.18Å; F161-T164 PolarHBondContact O-N 2.98Å; F161-T164 VanDerWaalsContact O-N 3.11Å; F161-V165 HydrophobicContact CD1-CG2 4.1Å; F161-V165 HydrophobicContact CE1-CG2 3.76Å; F161-V165 HydrophobicContact CZ-CG2 4.02Å; F161-V165 WeakPolarHBondContact O-CG2 3.37Å; F161-V165 PolarHBondContact O-N 3.39Å
162D57.7Low58Low78 Ų78107 Ų10742%0.41751%0.505SS..Hα-helixtrans-61-43178.2-69.8-22.9000111.4N158 T164 V165 A166N158-D162 PolarHBondContact O-N 3.02Å; D162-T164 VanDerWaalsContact C-N 3.33Å; D162-T164 PolarHBondContact O-N 2.93Å; D162-V165 PolarHBondContact O-N 2.77Å; D162-A166 WeakPolarHBondContact O-CB 3.33Å; D162-A166 PolarHBondContact O-N 2.9Å
163L56.5Low60.6Low110 Ų110102.9 Ų102.958%0.57649%0.494SS*.Hα-helixtrans-62.8-40.3175.1-16970000111.6L159 F161 A166 L167L159-L163 WeakPolarHBondContact O-CB 3.4Å; L159-L163 PolarHBondContact O-N 3.19Å; F161-L163 VanDerWaalsContact C-N 3.34Å; F161-L163 PolarHBondContact O-N 3.09Å; L163-A166 PolarHBondContact O-N 3.16Å; L163-L167 HydrophobicContact CG-CD1 4.16Å; L163-L167 HydrophobicContact CG-CG 4.47Å; L163-L167 WeakPolarHBondContact O-CB 3.48Å; L163-L167 WeakPolarHBondContact O-CG 3.1Å; L163-L167 PolarHBondContact O-N 3.03Å
164T66.3Low63.2Low83 Ų8396.3 Ų96.351%0.50948%0.479SS..Hα-helixtrans-66.1-42.1179.1-52.90000111.5R160 F161 D162 S168R160-T164 WeakPolarHBondContact O-CB 3.49Å; R160-T164 PolarHBondContact O-N 3.45Å; R160-T164 PolarHBondContact O-OG1 3.25Å; F161-T164 WeakPolarHBondContact O-CB 3.18Å; F161-T164 PolarHBondContact O-N 2.98Å; F161-T164 VanDerWaalsContact O-N 3.11Å; D162-T164 VanDerWaalsContact C-N 3.33Å; D162-T164 PolarHBondContact O-N 2.93Å; T164-S168 WeakPolarHBondContact O-CB 2.95Å; T164-S168 PolarHBondContact O-N 3.24Å
165V74.2Confident66.1Low55 Ų5599.9 Ų99.933%0.33350%0.495SS..Hα-helixtrans-64.7-45.8175.9174.80000110.6F161 D162 L167 S168 Q169F161-V165 HydrophobicContact CD1-CG2 4.1Å; F161-V165 HydrophobicContact CE1-CG2 3.76Å; F161-V165 HydrophobicContact CZ-CG2 4.02Å; F161-V165 WeakPolarHBondContact O-CG2 3.37Å; F161-V165 PolarHBondContact O-N 3.39Å; D162-V165 PolarHBondContact O-N 2.77Å; V165-L167 PolarHBondContact O-N 3.23Å; V165-S168 WeakPolarHBondContact O-CB 3.43Å; V165-S168 PolarHBondContact O-N 3.35Å; V165-Q169 HydrophobicContact CG1-CG 4.49Å; V165-Q169 WeakPolarHBondContact O-CG 3.47Å; V165-Q169 PolarHBondContact O-N 3.43Å
166A68.6Low68.6Low36 Ų36106.6 Ų106.630%0.29851%0.514SS..Hα-helixtrans-61.7-42.6177.900000112.2D162 L163 Q169 R170D162-A166 WeakPolarHBondContact O-CB 3.33Å; D162-A166 PolarHBondContact O-N 2.9Å; L163-A166 PolarHBondContact O-N 3.16Å; A166-Q169 PolarHBondContact O-N 2.91Å; A166-R170 WeakPolarHBondContact O-CG 3.18Å; A166-R170 PolarHBondContact O-N 3.49Å
167L75.4Confident71.3Confident97 Ų97105.8 Ų105.851%0.50851%0.511SS..Hα-helixtrans-64.6-40.1174.8-70.6174.1000111.9L163 V165 R170 A171L163-L167 HydrophobicContact CG-CD1 4.16Å; L163-L167 HydrophobicContact CG-CG 4.47Å; L163-L167 WeakPolarHBondContact O-CB 3.48Å; L163-L167 WeakPolarHBondContact O-CG 3.1Å; L163-L167 PolarHBondContact O-N 3.03Å; V165-L167 PolarHBondContact O-N 3.23Å; L167-R170 PolarHBondContact O-N 3.5Å; L167-A171 WeakPolarHBondContact O-CB 3.45Å; L167-A171 PolarHBondContact O-N 2.93Å
168S78.7Confident74.2Confident54 Ų54105.4 Ų105.438%0.37851%0.511SS..Hα-helixtrans-64.5-40.6175.8-171.20000112.3T164 V165 A171 K172T164-S168 WeakPolarHBondContact O-CB 2.95Å; T164-S168 PolarHBondContact O-N 3.24Å; V165-S168 WeakPolarHBondContact O-CB 3.43Å; V165-S168 PolarHBondContact O-N 3.35Å; S168-A171 PolarHBondContact O-N 3.32Å; S168-K172 WeakPolarHBondContact O-CG 3.49Å; S168-K172 PolarHBondContact O-N 3.16Å
169Q82.6Confident76.6Confident107 Ų107109.4 Ų109.450%0.553%0.527SS..Hα-helixtrans-64.5-49.3175.9-74.9173.3-2100111.3V165 A166 A171 K172 E173V165-Q169 HydrophobicContact CG1-CG 4.49Å; V165-Q169 WeakPolarHBondContact O-CG 3.47Å; V165-Q169 PolarHBondContact O-N 3.43Å; A166-Q169 PolarHBondContact O-N 2.91Å; Q169-A171 VanDerWaalsContact C-N 3.3Å; Q169-A171 PolarHBondContact O-N 3.31Å; Q169-K172 WeakPolarHBondContact O-CB 3.49Å; Q169-K172 PolarHBondContact O-N 3.41Å; Q169-K172 VanDerWaalsContact O-N 3.07Å; Q169-E173 WeakPolarHBondContact O-CG 3.24Å; Q169-E173 PolarHBondContact O-N 3.39Å
170R80.1Confident79.1Confident178 Ų178108.9 Ų108.967%0.67252%0.521SS*.Hα-helixtrans-57.2-41.8175.2-73.9178.6179.2-179.9-0.1112.2A166 L167 E173 A174A166-R170 WeakPolarHBondContact O-CG 3.18Å; A166-R170 PolarHBondContact O-N 3.49Å; L167-R170 PolarHBondContact O-N 3.5Å; R170-E173 PolarHBondContact O-N 2.8Å; R170-A174 WeakPolarHBondContact O-CB 3.23Å; R170-A174 PolarHBondContact O-N 3.28Å
171A86.8Confident81.4Confident53 Ų53105.7 Ų105.744%0.43852%0.515SS..Hα-helixtrans-64.8-38.7176.200000112.6L167 S168 Q169 K175L167-A171 WeakPolarHBondContact O-CB 3.45Å; L167-A171 PolarHBondContact O-N 2.93Å; S168-A171 PolarHBondContact O-N 3.32Å; Q169-A171 VanDerWaalsContact C-N 3.3Å; Q169-A171 PolarHBondContact O-N 3.31Å; A171-K175 WeakPolarHBondContact O-CG 3.4Å; A171-K175 PolarHBondContact O-N 2.81Å; A171-K175 VanDerWaalsContact O-N 3.14Å
172K89.9Confident83.8Confident133 Ų133104.3 Ų104.358%0.57851%0.51SS*.Hα-helixtrans-68.1-41.5175.2-74173.6-176.6177.80111.8S168 Q169 K175 R176S168-K172 WeakPolarHBondContact O-CG 3.49Å; S168-K172 PolarHBondContact O-N 3.16Å; Q169-K172 WeakPolarHBondContact O-CB 3.49Å; Q169-K172 PolarHBondContact O-N 3.41Å; Q169-K172 VanDerWaalsContact O-N 3.07Å; K172-K175 PolarHBondContact O-N 2.99Å; K172-R176 WeakPolarHBondContact O-CG 3.36Å; K172-R176 PolarHBondContact O-N 3.46Å
173E87.2Confident85.6Confident107 Ų107108.1 Ų108.150%0.552%0.519SS..Hα-helixtrans-65.3-42.8176.3-74171.2-169.900111.9Q169 R170 K175 R176 K177Q169-E173 WeakPolarHBondContact O-CG 3.24Å; Q169-E173 PolarHBondContact O-N 3.39Å; R170-E173 PolarHBondContact O-N 2.8Å; E173-K175 PolarHBondContact O-N 2.85Å; E173-R176 WeakPolarHBondContact O-CB 3.46Å; E173-R176 PolarHBondContact O-N 3.29Å; E173-R176 VanDerWaalsContact O-N 3.13Å; E173-K177 WeakPolarHBondContact O-CG 3.36Å; E173-K177 PolarHBondContact O-N 2.91Å
174A91.1Very high87.6Confident47 Ų47108.6 Ų108.639%0.38852%0.516SS..Hα-helixtrans-58.7-45.4174.300000111.7R170 R176 K177 Q178R170-A174 WeakPolarHBondContact O-CB 3.23Å; R170-A174 PolarHBondContact O-N 3.28Å; A174-R176 VanDerWaalsContact C-N 3.32Å; A174-R176 PolarHBondContact O-N 3.46Å; A174-K177 PolarHBondContact O-N 2.98Å; A174-Q178 WeakPolarHBondContact O-CG 3.32Å; A174-Q178 PolarHBondContact O-N 3.4Å
175K94.1Very high89.1Confident154 Ų154111.9 Ų111.967%0.6752%0.523SS*.Hα-helixtrans-62.7-36.1174.4-73.7-176.7178.8-172.80112.9A171 K172 E173 K179A171-K175 WeakPolarHBondContact O-CG 3.4Å; A171-K175 PolarHBondContact O-N 2.81Å; A171-K175 VanDerWaalsContact O-N 3.14Å; K172-K175 PolarHBondContact O-N 2.99Å; E173-K175 PolarHBondContact O-N 2.85Å; K175-K179 WeakPolarHBondContact O-CB 3.47Å; K175-K179 PolarHBondContact O-N 2.83Å; K175-K179 VanDerWaalsContact O-N 3.15Å
176R94.4Very high90.2Very high191 Ų191114.3 Ų114.372%0.72153%0.529SS*.Hα-helixtrans-67.5-45.8175.6-75.9175.7175.2-166.4-2.3111.6K172 E173 A174 K179 E180K172-R176 WeakPolarHBondContact O-CG 3.36Å; K172-R176 PolarHBondContact O-N 3.46Å; E173-R176 WeakPolarHBondContact O-CB 3.46Å; E173-R176 PolarHBondContact O-N 3.29Å; E173-R176 VanDerWaalsContact O-N 3.13Å; A174-R176 VanDerWaalsContact C-N 3.32Å; A174-R176 PolarHBondContact O-N 3.46Å; R176-K179 PolarHBondContact O-N 3.4Å; R176-E180 PolarHBondContact O-N 2.96Å
177K94.6Very high91.6Very high133 Ų133118.1 Ų118.158%0.57854%0.541SS*.Hα-helixtrans-60.4-47.6177.2-73.7-174.8176.9-1740111.8E173 A174 K179 E180 E181E173-K177 WeakPolarHBondContact O-CG 3.36Å; E173-K177 PolarHBondContact O-N 2.91Å; A174-K177 PolarHBondContact O-N 2.98Å; K177-K179 VanDerWaalsContact C-N 3.31Å; K177-K179 PolarHBondContact O-N 3.47Å; K177-E180 PolarHBondContact O-N 3.23Å; K177-E180 VanDerWaalsContact O-N 3.1Å; K177-E181 WeakPolarHBondContact O-CG 3.38Å; K177-E181 PolarHBondContact O-N 3.02Å
178Q94.4Very high92.6Very high129 Ų129116.7 Ų116.760%0.60354%0.536SS*.Hα-helixtrans-57.4-43.7175.3-73.8176.9-1300112.2A174 E180 E181 E182A174-Q178 WeakPolarHBondContact O-CG 3.32Å; A174-Q178 PolarHBondContact O-N 3.4Å; Q178-E180 VanDerWaalsContact C-N 3.33Å; Q178-E180 PolarHBondContact O-N 3.4Å; Q178-E181 PolarHBondContact O-N 3.23Å; Q178-E182 WeakPolarHBondContact O-CB 3.45Å; Q178-E182 PolarHBondContact O-N 3.5Å
179K97.2Very high93.5Very high121 Ų121118.2 Ų118.253%0.52654%0.537SS..Hα-helixtrans-66.5-34177.4-171.1174.2-176.9175.40112.6K175 R176 K177 R183K175-K179 WeakPolarHBondContact O-CB 3.47Å; K175-K179 PolarHBondContact O-N 2.83Å; K175-K179 VanDerWaalsContact O-N 3.15Å; R176-K179 PolarHBondContact O-N 3.4Å; K177-K179 VanDerWaalsContact C-N 3.31Å; K177-K179 PolarHBondContact O-N 3.47Å; K179-R183 WeakPolarHBondContact O-CD 3.49Å; K179-R183 WeakPolarHBondContact O-CG 3.33Å; K179-R183 PolarHBondContact O-N 2.96Å; K179-R183 VanDerWaalsContact O-N 3.13Å
180E95.9Very high94.3Very high101 Ų101121.7 Ų121.747%0.47255%0.546SS..Hα-helixtrans-72.3-43.5176.4-167.2-175.1149.600111.9R176 K177 Q178 E182 R183 K184R176-E180 PolarHBondContact O-N 2.96Å; K177-E180 PolarHBondContact O-N 3.23Å; K177-E180 VanDerWaalsContact O-N 3.1Å; Q178-E180 VanDerWaalsContact C-N 3.33Å; Q178-E180 PolarHBondContact O-N 3.4Å; E180-E182 VanDerWaalsContact C-N 3.33Å; E180-E182 PolarHBondContact O-N 3.05Å; E180-R183 WeakPolarHBondContact O-CB 3.31Å; E180-R183 PolarHBondContact O-N 3.43Å; E180-K184 WeakPolarHBondContact O-CG 3.24Å; E180-K184 PolarHBondContact O-N 2.83Å; E180-K184 VanDerWaalsContact OE1-CE 3.24Å; E180-K184 WeakPolarHBondContact OE1-CE 3.29Å; E180-K184 IonicContact OE1-NZ 3.67Å; E180-K184 PolarHBondContact OE1-NZ 2.87Å
181E95.8Very high95.1Very high126 Ų126118.1 Ų118.159%0.58954%0.537SS*.Hα-helixtrans-60.7-42.2173.9-72.5169.9-174.200111.5K177 Q178 R183 K184 K185K177-E181 WeakPolarHBondContact O-CG 3.38Å; K177-E181 PolarHBondContact O-N 3.02Å; Q178-E181 PolarHBondContact O-N 3.23Å; E181-R183 VanDerWaalsContact C-N 3.34Å; E181-R183 PolarHBondContact O-N 3.45Å; E181-K184 PolarHBondContact O-N 3.23Å; E181-K185 WeakPolarHBondContact O-CB 2.89Å; E181-K185 PolarHBondContact O-N 3.47Å
182E97.3Very high95.6Very high98 Ų98122.7 Ų122.746%0.45855%0.547SS..Hα-helixtrans-62.8-39.7175-167-168.8167.900111.9Q178 E180 K185 K186Q178-E182 WeakPolarHBondContact O-CB 3.45Å; Q178-E182 PolarHBondContact O-N 3.5Å; E180-E182 VanDerWaalsContact C-N 3.33Å; E180-E182 PolarHBondContact O-N 3.05Å; E182-K185 PolarHBondContact O-N 3.49Å; E182-K186 HydrophobicContact CG-CD 4.49Å; E182-K186 WeakPolarHBondContact O-CG 2.81Å; E182-K186 PolarHBondContact O-N 3.07Å; E182-K186 WeakPolarHBondContact OE1-CE 2.67Å; E182-K186 IonicContact OE1-NZ 2.64Å; E182-K186 PolarHBondContact OE1-NZ 3.43Å
183R97.2Very high96Very high158 Ų158123.8 Ų123.860%0.59655%0.547SS*.Hα-helixtrans-63-47.6174.5-75.5168.2178.5-151.3-5.5111.4K179 E180 E181 K185 K186 E187K179-R183 WeakPolarHBondContact O-CD 3.49Å; K179-R183 WeakPolarHBondContact O-CG 3.33Å; K179-R183 PolarHBondContact O-N 2.96Å; K179-R183 VanDerWaalsContact O-N 3.13Å; E180-R183 WeakPolarHBondContact O-CB 3.31Å; E180-R183 PolarHBondContact O-N 3.43Å; E181-R183 VanDerWaalsContact C-N 3.34Å; E181-R183 PolarHBondContact O-N 3.45Å; R183-K185 VanDerWaalsContact C-N 3.32Å; R183-K185 PolarHBondContact O-N 3.47Å; R183-K186 PolarHBondContact O-N 2.86Å; R183-E187 WeakPolarHBondContact O-CB 3.5Å; R183-E187 PolarHBondContact O-N 2.98Å
184K97.8Very high96.5Very high119 Ų119124.2 Ų124.252%0.51755%0.553SS.*Hα-helixtrans-59.4-42.3176.6-71.6176.2-176.9168.60111.3E180 E181 E187 T188E180-K184 WeakPolarHBondContact O-CG 3.24Å; E180-K184 PolarHBondContact O-N 2.83Å; E180-K184 VanDerWaalsContact OE1-CE 3.24Å; E180-K184 WeakPolarHBondContact OE1-CE 3.29Å; E180-K184 IonicContact OE1-NZ 3.67Å; E180-K184 PolarHBondContact OE1-NZ 2.87Å; E181-K184 PolarHBondContact O-N 3.23Å; K184-E187 PolarHBondContact O-N 3.24Å; K184-T188 WeakPolarHBondContact O-CG2 3.18Å; K184-T188 PolarHBondContact O-N 3.36Å; K184-T188 PolarHBondContact O-OG1 3Å
185K97.5Very high96.8Very high152 Ų152127.5 Ų127.566%0.66156%0.56SS**Hα-helixtrans-62.3-46.3175.7-171.8177178.7179.90112.1E181 E182 R183 E187 T188 E189E181-K185 WeakPolarHBondContact O-CB 2.89Å; E181-K185 PolarHBondContact O-N 3.47Å; E182-K185 PolarHBondContact O-N 3.49Å; R183-K185 VanDerWaalsContact C-N 3.32Å; R183-K185 PolarHBondContact O-N 3.47Å; K185-E187 VanDerWaalsContact C-N 3.32Å; K185-E187 PolarHBondContact O-N 2.84Å; K185-T188 PolarHBondContact O-N 2.81Å; K185-T188 PolarHBondContact O-OG1 2.75Å; K185-E189 PolarHBondContact O-N 2.93Å
186K97.8Very high97Very high107 Ų107126.5 Ų126.547%0.46556%0.555SS.*Hα-helixtrans-63.9-36.7177-73.4175.9-176.6173.30112.6E182 R183 R190E182-K186 HydrophobicContact CG-CD 4.49Å; E182-K186 WeakPolarHBondContact O-CG 2.81Å; E182-K186 PolarHBondContact O-N 3.07Å; E182-K186 WeakPolarHBondContact OE1-CE 2.67Å; E182-K186 IonicContact OE1-NZ 2.64Å; E182-K186 PolarHBondContact OE1-NZ 3.43Å; R183-K186 PolarHBondContact O-N 2.86Å; K186-R190 VanDerWaalsContact O-CG 3.31Å; K186-R190 WeakPolarHBondContact O-CG 3.44Å; K186-R190 PolarHBondContact O-N 2.87Å
187E97.4Very high97.1Very high116 Ų116121 Ų12154%0.54254%0.54SS..Hα-helixtrans-69.9-44.6179.1-173.2159.2-159.500112R183 K184 K185 E189 R190 Q191R183-E187 WeakPolarHBondContact O-CB 3.5Å; R183-E187 PolarHBondContact O-N 2.98Å; K184-E187 PolarHBondContact O-N 3.24Å; K185-E187 VanDerWaalsContact C-N 3.32Å; K185-E187 PolarHBondContact O-N 2.84Å; E187-E189 VanDerWaalsContact C-N 3.29Å; E187-E189 PolarHBondContact O-N 2.85Å; E187-R190 PolarHBondContact O-N 2.57Å; E187-Q191 WeakPolarHBondContact O-CG 3.5Å; E187-Q191 PolarHBondContact O-N 3.15Å
188T97.6Very high97.3Very high66 Ų66120.9 Ų120.941%0.40554%0.539SS..Hα-helixtrans-62.1-37173.857.90000112.1K184 K185 Q191 K192K184-T188 WeakPolarHBondContact O-CG2 3.18Å; K184-T188 PolarHBondContact O-N 3.36Å; K184-T188 PolarHBondContact O-OG1 3Å; K185-T188 PolarHBondContact O-N 2.81Å; K185-T188 PolarHBondContact O-OG1 2.75Å; T188-Q191 PolarHBondContact O-N 2.89Å; T188-K192 WeakPolarHBondContact O-CG 3.5Å; T188-K192 PolarHBondContact O-N 3.18Å; T188-K192 VanDerWaalsContact O-N 3.1Å
189E97.4Very high97.4Very high87 Ų87121.4 Ų121.441%0.40754%0.539SS..Hα-helixtrans-66.8-41.2174.7-167.3-177.3166.100112.3K185 E187 K192 R193K185-E189 PolarHBondContact O-N 2.93Å; E187-E189 VanDerWaalsContact C-N 3.29Å; E187-E189 PolarHBondContact O-N 2.85Å; E189-K192 PolarHBondContact O-N 2.87Å; E189-R193 WeakPolarHBondContact O-CG 3.31Å; E189-R193 PolarHBondContact O-N 2.84Å; E189-R193 IonicContact OE1-CZ 3.71Å; E189-R193 IonicContact OE1-NE 2.68Å; E189-R193 PolarHBondContact OE1-NE 3.01Å; E189-R193 IonicContact OE1-NH2 3.41Å; E189-R193 PolarHBondContact OE1-NH2 3.42Å
190R97.9Very high97.4Very high179 Ų179120.7 Ų120.768%0.67554%0.538SS*.Hα-helixtrans-61.8-44.4174.6-76.5174.4179.1-153-1.6111.8K186 E187 R193 L194K186-R190 VanDerWaalsContact O-CG 3.31Å; K186-R190 WeakPolarHBondContact O-CG 3.44Å; K186-R190 PolarHBondContact O-N 2.87Å; E187-R190 PolarHBondContact O-N 2.57Å; R190-R193 PolarHBondContact O-N 3.38Å; R190-L194 WeakPolarHBondContact O-CG 3.36Å; R190-L194 PolarHBondContact O-N 3.36Å
191Q96.7Very high97.4Very high104 Ų104124.2 Ų124.249%0.48655%0.547SS..Hα-helixtrans-59.4-47.4177-73.1176.1-5.300111.3E187 T188 R193 L194 E195E187-Q191 WeakPolarHBondContact O-CG 3.5Å; E187-Q191 PolarHBondContact O-N 3.15Å; T188-Q191 PolarHBondContact O-N 2.89Å; Q191-R193 VanDerWaalsContact C-N 3.33Å; Q191-R193 PolarHBondContact O-N 3.12Å; Q191-L194 PolarHBondContact O-N 2.79Å; Q191-E195 WeakPolarHBondContact O-CG 3.47Å; Q191-E195 PolarHBondContact O-N 2.73Å
192K98.2Very high97.5Very high149 Ų149123.2 Ų123.265%0.64854%0.542SS*.Hα-helixtrans-59.4-40.5176.2-71.2175.1-178.3-176.60113T188 E189 K196T188-K192 WeakPolarHBondContact O-CG 3.5Å; T188-K192 PolarHBondContact O-N 3.18Å; T188-K192 VanDerWaalsContact O-N 3.1Å; E189-K192 PolarHBondContact O-N 2.87Å; K192-K196 WeakPolarHBondContact O-CB 3.43Å; K192-K196 PolarHBondContact O-N 2.78Å
193R97.7Very high97.4Very high155 Ų155121.4 Ų121.459%0.58554%0.544SS*.Hα-helixtrans-65.3-43.2176.1-71.1175.4-175.3-150.63.3111.7E189 R190 Q191 K196 I197E189-R193 WeakPolarHBondContact O-CG 3.31Å; E189-R193 PolarHBondContact O-N 2.84Å; E189-R193 IonicContact OE1-CZ 3.71Å; E189-R193 IonicContact OE1-NE 2.68Å; E189-R193 PolarHBondContact OE1-NE 3.01Å; E189-R193 IonicContact OE1-NH2 3.41Å; E189-R193 PolarHBondContact OE1-NH2 3.42Å; R190-R193 PolarHBondContact O-N 3.38Å; Q191-R193 VanDerWaalsContact C-N 3.33Å; Q191-R193 PolarHBondContact O-N 3.12Å; R193-K196 PolarHBondContact O-N 3.06Å; R193-I197 WeakPolarHBondContact O-CG1 3.26Å; R193-I197 PolarHBondContact O-N 3.49Å
194L97.9Very high97.3Very high117 Ų117116.8 Ų116.861%0.61354%0.54SS*.Hα-helixtrans-64.7-42177.9-72.1172.7000111.9R190 Q191 K196 I197 K198R190-L194 WeakPolarHBondContact O-CG 3.36Å; R190-L194 PolarHBondContact O-N 3.36Å; Q191-L194 PolarHBondContact O-N 2.79Å; L194-K196 VanDerWaalsContact C-N 3.35Å; L194-I197 PolarHBondContact O-N 3.07Å; L194-K198 WeakPolarHBondContact O-CB 3.43Å; L194-K198 PolarHBondContact O-N 3.28Å
195E97.4Very high97.3Very high116 Ų116118.7 Ų118.754%0.54255%0.548SS..Hα-helixtrans-62.4-41174.4-74.3179.6178.800112.2Q191 K198 K199Q191-E195 WeakPolarHBondContact O-CG 3.47Å; Q191-E195 PolarHBondContact O-N 2.73Å; E195-K198 PolarHBondContact O-N 2.79Å; E195-K199 WeakPolarHBondContact O-CG 3.4Å; E195-K199 PolarHBondContact O-N 2.85Å
196K97.9Very high97.1Very high132 Ų132118 Ų11857%0.57455%0.545SS*.Hα-helixtrans-61.5-48.7175.4-174.8177.5174.6-177.50111.5K192 R193 L194 K198 K199 E200K192-K196 WeakPolarHBondContact O-CB 3.43Å; K192-K196 PolarHBondContact O-N 2.78Å; R193-K196 PolarHBondContact O-N 3.06Å; L194-K196 VanDerWaalsContact C-N 3.35Å; K196-K198 VanDerWaalsContact C-N 3.29Å; K196-K198 PolarHBondContact O-N 3.45Å; K196-K199 PolarHBondContact O-N 3.25Å; K196-E200 WeakPolarHBondContact CE-OE1 3.24Å; K196-E200 WeakPolarHBondContact O-CG 3.1Å; K196-E200 PolarHBondContact O-N 2.89Å
197I97.6Very high96.9Very high76 Ų76115.4 Ų115.439%0.3954%0.543SS..Hα-helixtrans-61.2-38.9177.4-67.3165.4000111R193 L194 E200 R201R193-I197 WeakPolarHBondContact O-CG1 3.26Å; R193-I197 PolarHBondContact O-N 3.49Å; L194-I197 PolarHBondContact O-N 3.07Å; I197-E200 PolarHBondContact O-N 3.17Å; I197-R201 HydrophobicContact CG2-CG 4.46Å; I197-R201 WeakPolarHBondContact O-CB 3.32Å; I197-R201 VanDerWaalsContact O-CG 3.31Å; I197-R201 WeakPolarHBondContact O-CG 3.49Å; I197-R201 PolarHBondContact O-N 2.92Å
198K97.8Very high96.8Very high131 Ų131112.6 Ų112.657%0.5754%0.54SS*.Hα-helixtrans-63.2-46177-171.8-179.8175.5-172.90111.3L194 E195 K196 R201 E202L194-K198 WeakPolarHBondContact O-CB 3.43Å; L194-K198 PolarHBondContact O-N 3.28Å; E195-K198 PolarHBondContact O-N 2.79Å; K196-K198 VanDerWaalsContact C-N 3.29Å; K196-K198 PolarHBondContact O-N 3.45Å; K198-R201 PolarHBondContact O-N 3.48Å; K198-E202 WeakPolarHBondContact CE-OE1 3.49Å; K198-E202 WeakPolarHBondContact O-CG 3.36Å; K198-E202 PolarHBondContact O-N 2.93Å
199K97.5Very high96.6Very high140 Ų140112.6 Ų112.661%0.60955%0.547SS*.Hα-helixtrans-62-42.3176.3-71.8175.1-179.1179.80112.3E195 K196 E202 A203E195-K199 WeakPolarHBondContact O-CG 3.4Å; E195-K199 PolarHBondContact O-N 2.85Å; K196-K199 PolarHBondContact O-N 3.25Å; K199-E202 PolarHBondContact O-N 3.01Å; K199-A203 WeakPolarHBondContact O-CB 3.26Å; K199-A203 PolarHBondContact O-N 3.41Å
200E96.6Very high96.2Very high106 Ų106113.6 Ų113.650%0.49555%0.551SS.*Hα-helixtrans-63.5-41.8175.9-73.2171.1-179.100111.9K196 I197 A203 A204K196-E200 WeakPolarHBondContact CE-OE1 3.24Å; K196-E200 WeakPolarHBondContact O-CG 3.1Å; K196-E200 PolarHBondContact O-N 2.89Å; I197-E200 PolarHBondContact O-N 3.17Å; E200-A203 PolarHBondContact O-N 3.31Å; E200-A204 WeakPolarHBondContact O-CB 3.45Å; E200-A204 PolarHBondContact O-N 3.38Å
201R97.2Very high95.8Very high175 Ų175109 Ų10966%0.6655%0.546SS*.Hα-helixtrans-65.5-39.3175.2-74.6176.6174.5-170.9-2112.5I197 K198 K205I197-R201 HydrophobicContact CG2-CG 4.46Å; I197-R201 WeakPolarHBondContact O-CB 3.32Å; I197-R201 VanDerWaalsContact O-CG 3.31Å; I197-R201 WeakPolarHBondContact O-CG 3.49Å; I197-R201 PolarHBondContact O-N 2.92Å; K198-R201 PolarHBondContact O-N 3.48Å; R201-K205 WeakPolarHBondContact O-CB 3.29Å; R201-K205 VanDerWaalsContact O-CG 3.27Å; R201-K205 WeakPolarHBondContact O-CG 3.25Å; R201-K205 PolarHBondContact O-N 3.42Å
202E96.2Very high95.3Very high105 Ų105114.7 Ų114.749%0.49156%0.563SS.*Hα-helixtrans-66.8-42.1175.7-74.7171.6-177.800111.5K198 K199 K205 K206K198-E202 WeakPolarHBondContact CE-OE1 3.49Å; K198-E202 WeakPolarHBondContact O-CG 3.36Å; K198-E202 PolarHBondContact O-N 2.93Å; K199-E202 PolarHBondContact O-N 3.01Å; E202-K205 PolarHBondContact O-N 3.38Å; E202-K206 WeakPolarHBondContact O-CB 3.39Å; E202-K206 PolarHBondContact O-N 3.28Å
203A96.4Very high94.4Very high59 Ų59114.7 Ų114.749%0.48857%0.57SS.*Hα-helixtrans-63.4-43.7174.700000112.3K199 E200 K205 K206 A207K199-A203 WeakPolarHBondContact O-CB 3.26Å; K199-A203 PolarHBondContact O-N 3.41Å; E200-A203 PolarHBondContact O-N 3.31Å; A203-K205 PolarHBondContact O-N 3.02Å; A203-K206 PolarHBondContact O-N 3.43Å; A203-A207 PolarHBondContact O-N 3.07Å
204A95.8Very high92.9Very high62 Ų62115.9 Ų115.951%0.51260%0.595SS.*Hα-helixtrans-63.8-39.9176.400000112.3E200 K206 A207 A208E200-A204 WeakPolarHBondContact O-CB 3.45Å; E200-A204 PolarHBondContact O-N 3.38Å; A204-K206 VanDerWaalsContact C-N 3.34Å; A204-A207 PolarHBondContact O-N 3.33Å; A204-A208 WeakPolarHBondContact O-CB 3.47Å; A204-A208 PolarHBondContact O-N 2.75Å
205K96.2Very high92.7Very high158 Ų158115.8 Ų115.869%0.68759%0.594SS**Hα-helixtrans-62.8-40.9173.4-77177.6179.2-171.60111.9R201 E202 A203 A208 A209R201-K205 WeakPolarHBondContact O-CB 3.29Å; R201-K205 VanDerWaalsContact O-CG 3.27Å; R201-K205 WeakPolarHBondContact O-CG 3.25Å; R201-K205 PolarHBondContact O-N 3.42Å; E202-K205 PolarHBondContact O-N 3.38Å; A203-K205 PolarHBondContact O-N 3.02Å; K205-A208 PolarHBondContact O-N 3.19Å; K205-A209 WeakPolarHBondContact O-CB 3.35Å; K205-A209 PolarHBondContact O-N 3.44Å
206K94.9Very high92.4Very high138 Ų138115.8 Ų115.860%0.660%0.596SS**Hα-helixtrans-65.3-46.5177.2-165.8-173.5179.2-159.80111.5E202 A203 A204 A208 A209 E210E202-K206 WeakPolarHBondContact O-CB 3.39Å; E202-K206 PolarHBondContact O-N 3.28Å; A203-K206 PolarHBondContact O-N 3.43Å; A204-K206 VanDerWaalsContact C-N 3.34Å; K206-A208 VanDerWaalsContact C-N 3.33Å; K206-A208 PolarHBondContact O-N 3.3Å; K206-A209 PolarHBondContact O-N 2.82Å; K206-A209 VanDerWaalsContact O-N 3.14Å; K206-E210 WeakPolarHBondContact CE-OE1 3.39Å; K206-E210 IonicContact NZ-OE1 3.58Å; K206-E210 WeakPolarHBondContact O-CG 3.17Å; K206-E210 PolarHBondContact O-N 3.43Å
207A93.7Very high92.1Very high52 Ų52114.9 Ų114.943%0.4360%0.598SS.*Hα-helixtrans-62.8-37.2176.200000112.9A203 A204 E210 S211A203-A207 PolarHBondContact O-N 3.07Å; A204-A207 PolarHBondContact O-N 3.33Å; A207-E210 PolarHBondContact O-N 3.09Å; A207-S211 PolarHBondContact O-N 3.35Å; A207-S211 PolarHBondContact O-OG 3.32Å
208A93.4Very high91.8Very high58 Ų58117.2 Ų117.248%0.47961%0.61SS.*Hα-helixtrans-68.1-33.117400000112.7A204 K205 K206 S211 R212A204-A208 WeakPolarHBondContact O-CB 3.47Å; A204-A208 PolarHBondContact O-N 2.75Å; K205-A208 PolarHBondContact O-N 3.19Å; K206-A208 VanDerWaalsContact C-N 3.33Å; K206-A208 PolarHBondContact O-N 3.3Å; A208-S211 WeakPolarHBondContact CA-OG 3.49Å; A208-S211 PolarHBondContact O-OG 2.77Å; A208-R212 WeakPolarHBondContact O-CB 3.11Å; A208-R212 PolarHBondContact O-N 2.95Å
209A93.4Very high91.4Very high65 Ų65116.3 Ų116.354%0.53761%0.612SS.*Hα-helixtrans-72.5-39.7173.900000111.9K205 K206 R212K205-A209 WeakPolarHBondContact O-CB 3.35Å; K205-A209 PolarHBondContact O-N 3.44Å; K206-A209 PolarHBondContact O-N 2.82Å; K206-A209 VanDerWaalsContact O-N 3.14Å; A209-R212 PolarHBondContact O-N 3.47Å
210E90.5Very high91Very high109 Ų109114.7 Ų114.751%0.50961%0.613SS.*Hα-helixtrans-64.5-44.9176.6-73.2168.5-175.400111.7K206 A207 R212 N213K206-E210 WeakPolarHBondContact CE-OE1 3.39Å; K206-E210 IonicContact NZ-OE1 3.58Å; K206-E210 WeakPolarHBondContact O-CG 3.17Å; K206-E210 PolarHBondContact O-N 3.43Å; A207-E210 PolarHBondContact O-N 3.09Å; E210-R212 VanDerWaalsContact C-N 3.27Å; E210-R212 PolarHBondContact O-N 3.36Å; E210-N213 PolarHBondContact O-N 2.89Å
211S88.4Confident90.6Very high81 Ų81115.4 Ų115.457%0.56662%0.621SS**Hα-helixtrans-67.8-21177.349.90000114.6A207 A208A207-S211 PolarHBondContact O-N 3.35Å; A207-S211 PolarHBondContact O-OG 3.32Å; A208-S211 WeakPolarHBondContact CA-OG 3.49Å; A208-S211 PolarHBondContact O-OG 2.77Å
212R86.6Confident90.1Very high224 Ų224110.8 Ų110.885%0.84562%0.618SS**THydrogen-bonded Turntrans-83.8-11.8176.4-158.4174.4-170.9168.33113.2A208 A209 E210A208-R212 WeakPolarHBondContact O-CB 3.11Å; A208-R212 PolarHBondContact O-N 2.95Å; A209-R212 PolarHBondContact O-N 3.47Å; E210-R212 VanDerWaalsContact C-N 3.27Å; E210-R212 PolarHBondContact O-N 3.36Å
213N79.1Confident89.6Confident149 Ų149111.3 Ų111.380%0.79763%0.629SS**THydrogen-bonded Turntrans-103.310.3179.9-161.850.3000113E210E210-N213 PolarHBondContact O-N 2.89Å
214V67.4Low89Confident180 Ų180116 Ų116100%1.09164%0.641SS**  trans-108.50169.5-177.60000107.9

Retrieved 214 of 214 residues in 97 ms (Link to these results)