G4VK07_SCHMA Loading...

Vacuolar protein-sorting-associated protein 36

Component of the ESCRT-II complex (endosomal sorting complex required for transport II), which is required for multivesicular body (MVB) formation and sorting of endosomal cargo proteins into MVBs.

AlphaFold DB , UniProt , Accession G4VK07, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 451 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
1M75.8Confident74.3Confident2 Ų233 Ų331%0.0118%0.175CC..  0-160-80.4-71.8-97.200113.4R3 F4 L36 D38 F45 V146 V154M1-R3 PolarHBondContact O-N 3.17Å; M1-F4 WeakPolarHBondContact O-CB 3.26Å; M1-F4 PolarHBondContact O-N 2.92Å; M1-F4 HydrophobicContact SD-CD2 3.53Å; M1-F4 VanDerWaalsContact SD-CD2 3.53Å; M1-F4 HydrophobicContact SD-CE2 3.56Å; M1-F4 VanDerWaalsContact SD-CE2 3.56Å; M1-F4 HydrophobicContact SD-CG 4.25Å; M1-F4 HydrophobicContact SD-CZ 4.22Å; M1-L36 HydrophobicContact CE-CB 3.81Å; M1-L36 HydrophobicContact CE-CD1 3.84Å; M1-L36 HydrophobicContact CE-CG 4.48Å; M1-D38 HydrophobicContact CB-CB 4.1Å; M1-D38 HydrophobicContact CG-CB 3.47Å; M1-D38 VanDerWaalsContact CG-CB 3.47Å; M1-D38 VanDerWaalsContact CG-CG 3.44Å; M1-D38 WeakPolarHBondContact CG-OD1 3.46Å; M1-D38 PolarHBondContact N-OD1 2.93Å; M1-F45 HydrophobicContact CE-CD2 3.34Å; M1-F45 HydrophobicContact CE-CE2 3.66Å; M1-F45 HydrophobicContact CE-CG 4.47Å; M1-V146 HydrophobicContact CB-CB 4.41Å; M1-V146 HydrophobicContact CB-CG2 3.71Å; M1-V154 HydrophobicContact CG-CG2 4.08Å; M1-V154 HydrophobicContact SD-CG1 3.93Å; M1-V154 HydrophobicContact SD-CG2 4Å
2D79.4Confident72.8Confident12 Ų1241.3 Ų41.36%0.06421%0.212CC..THydrogen-bonded Turntrans-61.3-5.5171.159.8-27.4000115.5R5 V146 S149D2-R5 PolarHBondContact O-NH1 3.4Å; D2-V146 WeakPolarHBondContact CA-O 3.47Å; D2-V146 HydrophobicContact CB-CB 4.39Å; D2-V146 WeakPolarHBondContact CB-O 3.29Å; D2-S149 VanDerWaalsContact CG-N 3.26Å; D2-S149 WeakPolarHBondContact OD1-CB 3.14Å; D2-S149 PolarHBondContact OD2-N 2.91Å; D2-S149 VanDerWaalsContact OD2-N 3.15Å
3R78.5Confident71.1Confident23 Ų2347.7 Ų47.79%0.08725%0.247CC..THydrogen-bonded Turntrans-96.55174.1-74.362-174.9-158.115.8111.1M1 L72 L101 L107 W124M1-R3 PolarHBondContact O-N 3.17Å; R3-L72 HydrophobicContact CB-CD1 4.23Å; R3-L72 VanDerWaalsContact O-CD1 3.31Å; R3-L72 WeakPolarHBondContact O-CD1 3.36Å; R3-L101 HydrophobicContact CB-CD1 4.16Å; R3-L107 HydrophobicContact CB-CD2 4.27Å; R3-L107 HydrophobicContact CG-CD2 4.19Å; R3-W124 WeakPolarHBondContact O-CH2 3.29Å
4F83.8Confident69.5Low1 Ų151 Ų510%0.00426%0.256CS..  trans-98.6147.2168.3-74.5-99.8000109.6M1 L36 I70 A71 L72 V145 V154M1-F4 WeakPolarHBondContact O-CB 3.26Å; M1-F4 PolarHBondContact O-N 2.92Å; M1-F4 HydrophobicContact SD-CD2 3.53Å; M1-F4 VanDerWaalsContact SD-CD2 3.53Å; M1-F4 HydrophobicContact SD-CE2 3.56Å; M1-F4 VanDerWaalsContact SD-CE2 3.56Å; M1-F4 HydrophobicContact SD-CG 4.25Å; M1-F4 HydrophobicContact SD-CZ 4.22Å; F4-L36 HydrophobicContact CE1-CD1 4.49Å; F4-I70 HydrophobicContact CB-CG2 3.59Å; F4-I70 HydrophobicContact CD1-CG2 3.46Å; F4-I70 VanDerWaalsContact CD1-CG2 3.46Å; F4-I70 HydrophobicContact CE1-CG2 4.43Å; F4-I70 HydrophobicContact CG-CG2 3.92Å; F4-A71 WeakPolarHBondContact CA-O 3.33Å; F4-L72 HydrophobicContact CD1-CB 3.6Å; F4-L72 HydrophobicContact CD2-CD1 4.29Å; F4-L72 HydrophobicContact CE1-CB 3.4Å; F4-L72 VanDerWaalsContact CE1-CB 3.4Å; F4-L72 HydrophobicContact CE1-CD2 4.21Å; F4-L72 HydrophobicContact CE1-CG 4.31Å; F4-L72 HydrophobicContact CE2-CB 4.25Å; F4-L72 HydrophobicContact CE2-CD1 4.16Å; F4-L72 HydrophobicContact CE2-CD2 4Å; F4-L72 HydrophobicContact CE2-CG 4.37Å; F4-L72 HydrophobicContact CG-CB 4.23Å; F4-L72 HydrophobicContact CZ-CB 3.75Å; F4-L72 HydrophobicContact CZ-CD1 4.45Å; F4-L72 HydrophobicContact CZ-CD2 3.68Å; F4-L72 HydrophobicContact CZ-CG 4.16Å; F4-V145 HydrophobicContact CB-CB 4.17Å; F4-V145 HydrophobicContact CB-CG2 3.74Å; F4-V145 PolarHBondContact O-N 3.4Å; F4-V154 HydrophobicContact CE2-CB 4.22Å; F4-V154 HydrophobicContact CE2-CG1 3.85Å; F4-V154 HydrophobicContact CE2-CG2 3.95Å; F4-V154 HydrophobicContact CZ-CG1 4.04Å
5R82.1Confident67.4Low11 Ų1152.3 Ų52.34%0.04229%0.287CS..EExtended strand (participates in β ladder)trans-126.1142.2176.8-65.6-68.8-177.4-10311.2110.9D2 I70 A71 W124 F140 T143 A144D2-R5 PolarHBondContact O-NH1 3.4Å; R5-I70 CarbonylContact O-C 3.45Å; R5-I70 WeakPolarHBondContact O-CA 3.31Å; R5-A71 PolarHBondContact N-O 3.24Å; R5-A71 PolarHBondContact O-N 3.35Å; R5-W124 HydrophobicContact CB-CH2 4.16Å; R5-W124 HydrophobicContact CB-CZ2 3.52Å; R5-W124 HydrophobicContact CG-CD2 3.88Å; R5-W124 VanDerWaalsContact CG-CE2 3.41Å; R5-W124 HydrophobicContact CG-CE3 4.13Å; R5-W124 HydrophobicContact CG-CH2 3.53Å; R5-W124 HydrophobicContact CG-CZ2 3.24Å; R5-W124 HydrophobicContact CG-CZ3 3.96Å; R5-F140 PolarHBondContact NH2-O 3Å; R5-T143 CarbonylContact C-O 3.58Å; R5-T143 VanDerWaalsContact CA-O 3.3Å; R5-T143 WeakPolarHBondContact CA-O 2.95Å; R5-T143 WeakPolarHBondContact CD-O 3.38Å; R5-T143 WeakPolarHBondContact CD-OG1 3.46Å; R5-A144 VanDerWaalsContact NH1-CA 3.31Å
6W81.3Confident65.4Low105 Ų10555.9 Ų55.940%0.39832%0.317SS..EExtended strand (participates in β ladder)trans-66.8136.5167.6-67.8101.9000109.7F45 F69 I70 T143 V145W6-F45 AromaticContact CH2-CE1 3.9Å; W6-F45 HydrophobicContact CH2-CE1 3.9Å; W6-F45 HydrophobicContact CH2-CZ 4.34Å; W6-F45 HydrophobicContact CZ2-CE1 4.15Å; W6-F45 HydrophobicContact CZ2-CZ 4.12Å; W6-F69 CarbonylContact C-O 3.55Å; W6-F69 WeakPolarHBondContact CA-O 3.31Å; W6-I70 HydrophobicContact CD2-CD1 4.37Å; W6-I70 HydrophobicContact CD2-CG1 3.89Å; W6-I70 HydrophobicContact CE3-CD1 4.09Å; W6-I70 HydrophobicContact CE3-CG1 3.48Å; W6-I70 VanDerWaalsContact CE3-CG1 3.48Å; W6-I70 HydrophobicContact CH2-CD1 3.67Å; W6-I70 HydrophobicContact CH2-CG1 4.01Å; W6-I70 HydrophobicContact CZ2-CD1 3.93Å; W6-I70 HydrophobicContact CZ2-CG1 4.35Å; W6-I70 HydrophobicContact CZ3-CD1 3.73Å; W6-I70 HydrophobicContact CZ3-CG1 3.55Å; W6-T143 PolarHBondContact N-O 2.97Å; W6-V145 HydrophobicContact CD2-CG2 4.5Å; W6-V145 HydrophobicContact CG-CG2 4.43Å
7C75.7Confident63.9Low18 Ų1860.1 Ų60.112%0.12234%0.344CS..EExtended strand (participates in β ladder)trans-137.6143.7178.7-172.50000109.1D9 R56 F69 A71C7-D9 PolarHBondContact SG-N 3.19Å; C7-R56 PolarHBondContact SG-NH1 2.94Å; C7-R56 VanDerWaalsContact SG-NH1 3.4Å; C7-F69 PolarHBondContact N-O 2.74Å; C7-F69 WeakPolarHBondContact O-CB 3.35Å; C7-F69 PolarHBondContact O-N 3.25Å; C7-A71 HydrophobicContact CB-CB 4.44Å
8S68.6Low62Low101 Ų10165.8 Ų65.871%0.70637%0.374SS*.  trans-94.4-9.6177.2-61.80000112.9
9D64.8Low60.5Low49 Ų4971.8 Ų71.826%0.26240%0.398SS..  trans-96118.4-172.4-62.8-6.5000111C7 Y14C7-D9 PolarHBondContact SG-N 3.19Å; D9-Y14 HydrophobicContact CB-CE2 4.22Å; D9-Y14 PolarHBondContact OD2-OH 3.01Å
10D65.5Low59.3Low24 Ų2474.5 Ų74.513%0.12841%0.412CS..  trans-80.2141.8156.1-155.1-19.2000108.3E12 N13 K51 F69D10-E12 PolarHBondContact O-N 2.9Å; D10-E12 VanDerWaalsContact O-N 3.1Å; D10-N13 PolarHBondContact O-N 3.38Å; D10-K51 IonicContact OD1-NZ 3.01Å; D10-K51 PolarHBondContact OD1-NZ 3.17Å; D10-K51 IonicContact OD2-NZ 2.97Å; D10-K51 PolarHBondContact OD2-NZ 3.47Å; D10-F69 HydrophobicContact CB-CE1 4.18Å; D10-F69 HydrophobicContact CB-CE2 3.95Å; D10-F69 HydrophobicContact CB-CZ 3.6Å
11V62.3Low58.2Low17 Ų1776 Ų7610%0.10343%0.427CS..G310 helixtrans-58.1-28.5-179.5175.20000111.4N13 Y14 E25 V27 T53 L58V11-N13 PolarHBondContact O-N 3.02Å; V11-Y14 PolarHBondContact O-N 3.48Å; V11-E25 HydrophobicContact CG1-CB 4.41Å; V11-E25 HydrophobicContact CG1-CG 4.33Å; V11-E25 WeakPolarHBondContact CG1-O 3.49Å; V11-E25 HydrophobicContact CG2-CG 4.13Å; V11-V27 HydrophobicContact CB-CG2 4.11Å; V11-V27 HydrophobicContact CG1-CG2 4.07Å; V11-T53 HydrophobicContact CG2-CG2 3.87Å; V11-L58 HydrophobicContact CG2-CD1 3.77Å
12E55.8Low56.7Low132 Ų13282.2 Ų82.262%0.61746%0.46SS*.G310 helixtrans-65.7-18.9178.6-67.6171.7-143.900113.6D10 Y14 K51D10-E12 PolarHBondContact O-N 2.9Å; D10-E12 VanDerWaalsContact O-N 3.1Å; E12-Y14 PolarHBondContact O-N 3.41Å; E12-K51 IonicContact OE1-NZ 3.55Å; E12-K51 PolarHBondContact OE1-NZ 3.13Å
13N50.4Low55.4Low125 Ų12588 Ų8867%0.66849%0.486SS*.G310 helixtrans-79.8-11.2-179.5-78.5-14000114.6D10 V11 G15D10-N13 PolarHBondContact O-N 3.38Å; V11-N13 PolarHBondContact O-N 3.02Å; N13-G15 VanDerWaalsContact C-N 3.26Å; N13-G15 PolarHBondContact O-N 3.24Å
14Y48.7Very low54.7Low94 Ų9492.9 Ų92.937%0.36951%0.51SS..G310 helixtrans-80.3-2.8178.1-82.1-84.6000114D9 V11 E12 S16 Q119D9-Y14 HydrophobicContact CB-CE2 4.22Å; D9-Y14 PolarHBondContact OD2-OH 3.01Å; V11-Y14 PolarHBondContact O-N 3.48Å; E12-Y14 PolarHBondContact O-N 3.41Å; Y14-S16 PolarHBondContact O-N 3.1Å; Y14-Q119 VanDerWaalsContact CE1-OE1 3.23Å
15G37.9Very low54.3Low70 Ų7094.1 Ų94.172%0.72252%0.516SS*.THydrogen-bonded Turntrans-84.925.9-17200000118.2N13N13-G15 VanDerWaalsContact C-N 3.26Å; N13-G15 PolarHBondContact O-N 3.24Å
16S36.6Very low54.2Low111 Ų11196.7 Ų96.778%0.77654%0.535SS*.THydrogen-bonded Turntrans-128.6-4.1-175.1-150.90000117.6Y14Y14-S16 PolarHBondContact O-N 3.1Å
17T38.5Very low54.4Low126 Ų12694.4 Ų94.477%0.77353%0.533SS*.SBendtrans-109.4103175.148.50000111Q19T17-Q19 PolarHBondContact O-N 3.01Å
18N30.8Very low54.8Low164 Ų16496.5 Ų96.588%0.87755%0.545SS*.  trans-53.896.1170.7-71.9-45.1000111.7
19Q33.7Very low55.8Low180 Ų18092.9 Ų92.984%0.84152%0.518SS*.SBendtrans175.2129.5146.2-97.3158.419.400109.6T17T17-Q19 PolarHBondContact O-N 3.01Å
20D35.6Very low56.9Low125 Ų12596 Ų9667%0.66853%0.531SS*.  trans79.168.7171.1-58.3-18.4000119.2L22D20-L22 PolarHBondContact O-N 3.49Å
21S37.1Very low58Low105 Ų10597.1 Ų97.173%0.73454%0.535SS*.THydrogen-bonded Turntrans-65.324178.8-330000117.3
22L43.3Very low59.2Low133 Ų133100.8 Ų100.870%0.69656%0.561SS**THydrogen-bonded Turntrans-118-6.6-177-85.2153000114.1D20D20-L22 PolarHBondContact O-N 3.49Å
23H52.8Low60.6Low134 Ų13495.5 Ų95.562%0.6254%0.542SS*.SBendtrans-1077-176.4-62.6-62.2000114E25H23-E25 PolarHBondContact O-N 3.06Å
24E62.6Low62.3Low126 Ų12689.6 Ų89.659%0.58951%0.51SS*.PPolyproline II helixtrans-81.3121.1-169.6-70.3179.5176.300112.6S26E24-S26 PolarHBondContact O-N 2.86Å
25E76.2Confident64.2Low27 Ų2788.5 Ų88.513%0.12651%0.506CS..PPolyproline II helixtrans-62.2117.7164.6179.5-176.2176.900108.7V11 H23 T53 H55 R56 W120V11-E25 HydrophobicContact CG1-CB 4.41Å; V11-E25 HydrophobicContact CG1-CG 4.33Å; V11-E25 WeakPolarHBondContact CG1-O 3.49Å; V11-E25 HydrophobicContact CG2-CG 4.13Å; H23-E25 PolarHBondContact O-N 3.06Å; E25-T53 HydrophobicContact CG-CG2 4.44Å; E25-T53 WeakPolarHBondContact OE1-CB 3.38Å; E25-T53 VanDerWaalsContact OE1-CG2 3.28Å; E25-T53 WeakPolarHBondContact OE1-CG2 3.47Å; E25-T53 PolarHBondContact OE1-OG1 3.36Å; E25-H55 HydrophobicContact CG-CB 4.42Å; E25-R56 WeakPolarHBondContact OE1-CG 3.15Å; E25-R56 IonicContact OE1-CZ 3.63Å; E25-R56 IonicContact OE1-NE 2.65Å; E25-R56 PolarHBondContact OE1-NE 3.17Å; E25-R56 IonicContact OE1-NH2 3.7Å; E25-R56 IonicContact OE2-CZ 3.45Å; E25-R56 IonicContact OE2-NE 3.89Å; E25-R56 PolarHBondContact OE2-NE 3.47Å; E25-R56 IonicContact OE2-NH2 3.52Å; E25-R56 PolarHBondContact OE2-NH2 3.39Å; E25-W120 PolarHBondContact OE2-NE1 3.17Å
26S81.1Confident66.7Low64 Ų6485.2 Ų85.245%0.44847%0.471SS..PPolyproline II helixtrans-101.3149.8174.563.10000112.9E24 T53 T54E24-S26 PolarHBondContact O-N 2.86Å; S26-T53 CarbonylContact O-C 3.55Å; S26-T53 VanDerWaalsContact O-CA 3.26Å; S26-T53 WeakPolarHBondContact O-CA 3.4Å; S26-T53 WeakPolarHBondContact O-CB 3.41Å; S26-T54 PolarHBondContact N-OG1 3.21Å; S26-T54 PolarHBondContact O-N 3.05Å; S26-T54 PolarHBondContact O-OG1 3.17Å; S26-T54 WeakPolarHBondContact OG-CG2 3.29Å
27V84.7Confident69Low57 Ų5780.9 Ų80.935%0.34544%0.438SS..EExtended strand (participates in β ladder)trans-81.3128.4173.8-178.60000109.2V11 T53V11-V27 HydrophobicContact CB-CG2 4.11Å; V11-V27 HydrophobicContact CG1-CG2 4.07Å; V27-T53 HydrophobicContact CG2-CG2 4.44Å
28V84.7Confident71.2Confident63 Ų6376.2 Ų76.238%0.38241%0.409SS..EExtended strand (participates in β ladder)trans-97.9-47.1-178.11780000111L52 T54 V173V28-L52 HydrophobicContact CB-CD2 4.41Å; V28-L52 HydrophobicContact CB-CG 4.31Å; V28-L52 HydrophobicContact CG1-CD2 4.32Å; V28-L52 PolarHBondContact N-O 3.46Å; V28-T54 HydrophobicContact CG2-CG2 4.07Å; V28-V173 HydrophobicContact CB-CG2 4.31Å; V28-V173 HydrophobicContact CG1-CG2 3.98Å; V28-V173 HydrophobicContact CG2-CG2 3.85Å
29L88.2Confident73.6Confident25 Ų2568.4 Ų68.413%0.13137%0.367CS..EExtended strand (participates in β ladder)trans-152.6147.9-176.8-173.570.1000110.9K31 K51 L52 E165 F166L29-K31 HydrophobicContact CD2-CG 4.35Å; L29-K31 HydrophobicContact CG-CG 4.5Å; L29-K51 CarbonylContact O-C 3.55Å; L29-L52 HydrophobicContact CB-CB 4.36Å; L29-L52 PolarHBondContact N-O 3.1Å; L29-L52 PolarHBondContact O-N 3.45Å; L29-E165 WeakPolarHBondContact CD1-OE1 3.31Å; L29-E165 HydrophobicContact CD2-CG 4.48Å; L29-F166 HydrophobicContact CD2-CB 4.1Å; L29-F166 HydrophobicContact CD2-CD2 3.88Å; L29-F166 HydrophobicContact CD2-CG 4.39Å
30Q88.5Confident75.8Confident115 Ų11564 Ų6454%0.53735%0.353SS..EExtended strand (participates in β ladder)trans-128.9140.4172.559.9-179.6-13.800111.5L49 L50 K51Q30-L49 HydrophobicContact CB-CD1 4.39Å; Q30-L50 CarbonylContact C-O 3.5Å; Q30-L50 WeakPolarHBondContact CA-O 3.3Å; Q30-K51 HydrophobicContact CB-CG 4.32Å
31K88.4Confident78Confident47 Ų4763.2 Ų63.220%0.20435%0.349CS..EExtended strand (participates in β ladder)trans-140.9133.7178.1-68.6-63.2179.4-167.80110.7L29 I34 L50 E165 F166L29-K31 HydrophobicContact CD2-CG 4.35Å; L29-K31 HydrophobicContact CG-CG 4.5Å; K31-I34 HydrophobicContact CB-CD1 3.46Å; K31-I34 VanDerWaalsContact CB-CD1 3.46Å; K31-I34 HydrophobicContact CB-CG1 4.46Å; K31-L50 PolarHBondContact N-O 2.78Å; K31-L50 PolarHBondContact O-N 2.82Å; K31-E165 WeakPolarHBondContact CE-OE2 3.35Å; K31-E165 IonicContact NZ-OE1 2.79Å; K31-E165 PolarHBondContact NZ-OE1 3.43Å; K31-E165 VanDerWaalsContact NZ-OE1 3.07Å; K31-E165 IonicContact NZ-OE2 3.88Å; K31-E165 PolarHBondContact NZ-OE2 2.67Å; K31-F166 HydrophobicContact CG-CD2 4.19Å
32S87.8Confident80.1Confident94 Ų9465.5 Ų65.566%0.65734%0.342SS*.EExtended strand (participates in β ladder)trans-96.4160.3-178.954.50000112.6G48S32-G48 CarbonylContact C-O 3.6Å
33G84.5Confident81.9Confident21 Ų2160.2 Ų60.222%0.21632%0.316CS..EExtended strand (participates in β ladder)trans79.514.1176.100000114.5G48 P159G33-G48 PolarHBondContact N-O 2.75Å; G33-P159 WeakPolarHBondContact O-CD 3.13Å; G33-P159 WeakPolarHBondContact O-CG 3.47Å
34I87.3Confident83.4Confident1 Ų158.5 Ų58.51%0.00533%0.325CS..EExtended strand (participates in β ladder)trans-81.4136.6-172.4-69.4166.4000111.5K31 G47 G48 L50 W59 L156 F158K31-I34 HydrophobicContact CB-CD1 3.46Å; K31-I34 VanDerWaalsContact CB-CD1 3.46Å; K31-I34 HydrophobicContact CB-CG1 4.46Å; I34-G47 PolarHBondContact O-N 3.29Å; I34-G48 PolarHBondContact N-O 2.82Å; I34-G48 PolarHBondContact O-N 3.06Å; I34-G48 VanDerWaalsContact O-N 3.17Å; I34-L50 HydrophobicContact CB-CB 4.18Å; I34-L50 HydrophobicContact CD1-CB 3.3Å; I34-L50 HydrophobicContact CD1-CD2 3.76Å; I34-L50 HydrophobicContact CD1-CG 4.16Å; I34-L50 HydrophobicContact CG1-CB 4.3Å; I34-L50 HydrophobicContact CG2-CB 4.37Å; I34-L50 HydrophobicContact CG2-CD2 4.23Å; I34-W59 PolarHBondContact O-NE1 2.92Å; I34-L156 HydrophobicContact CG2-CB 4.37Å; I34-F158 HydrophobicContact CD1-CD1 4.06Å; I34-F158 HydrophobicContact CD1-CE1 3.52Å; I34-F158 HydrophobicContact CD1-CZ 4.07Å; I34-F158 HydrophobicContact CG1-CD1 4Å; I34-F158 HydrophobicContact CG1-CE1 3.96Å
35R88.5Confident84.4Confident71 Ų7153.9 Ų53.927%0.26830%0.303SS..EExtended strand (participates in β ladder)trans-104.5136.8177.9-56.9-170.2173157.5-2.1111.2Y37 D46 L156 G157R35-Y37 HydrophobicContact CB-CE2 3.93Å; R35-D46 WeakPolarHBondContact CD-OD1 3.43Å; R35-D46 WeakPolarHBondContact CG-OD1 3.42Å; R35-D46 IonicContact CZ-OD1 2.98Å; R35-D46 IonicContact CZ-OD2 3.84Å; R35-D46 IonicContact NE-OD1 3.14Å; R35-D46 PolarHBondContact NE-OD1 3.11Å; R35-D46 IonicContact NE-OD2 2.96Å; R35-D46 PolarHBondContact NE-OD2 3.47Å; R35-D46 IonicContact NH2-OD1 3.99Å; R35-L156 CarbonylContact O-C 3.22Å; R35-L156 WeakPolarHBondContact O-CA 3.39Å; R35-G157 PolarHBondContact N-O 2.92Å; R35-G157 PolarHBondContact O-N 3.43Å
36L89Confident84.8Confident0 Ų055.3 Ų55.30%031%0.311CS..EExtended strand (participates in β ladder)trans-99.7143172.8-51.4179.6000110.9M1 F4 S43 F45 W59 K155 L156M1-L36 HydrophobicContact CE-CB 3.81Å; M1-L36 HydrophobicContact CE-CD1 3.84Å; M1-L36 HydrophobicContact CE-CG 4.48Å; F4-L36 HydrophobicContact CE1-CD1 4.49Å; L36-S43 VanDerWaalsContact C-OG 3.28Å; L36-S43 WeakPolarHBondContact O-CB 3.28Å; L36-S43 PolarHBondContact O-N 2.87Å; L36-S43 PolarHBondContact O-OG 2.97Å; L36-F45 HydrophobicContact CB-CB 4.06Å; L36-F45 HydrophobicContact CD1-CB 3.89Å; L36-F45 HydrophobicContact CD1-CD2 4.29Å; L36-F45 HydrophobicContact CD1-CG 4.24Å; L36-F45 HydrophobicContact CG-CB 4.03Å; L36-F45 PolarHBondContact N-O 3.13Å; L36-W59 HydrophobicContact CD1-CB 4.08Å; L36-W59 HydrophobicContact CD1-CD2 4.08Å; L36-W59 HydrophobicContact CD1-CG 3.77Å; L36-W59 HydrophobicContact CG-CG 4.24Å; L36-K155 CarbonylContact C-O 3.59Å; L36-K155 WeakPolarHBondContact CA-O 3.26Å; L36-L156 HydrophobicContact CD2-CD2 3.18Å
37Y86.6Confident84.8Confident21 Ų2153.7 Ų53.78%0.08231%0.305CS..EExtended strand (participates in β ladder)trans-125.5134.7174.6-63.5-101.8000109.5R35 G39 N41 R42 K96 V154 K155R35-Y37 HydrophobicContact CB-CE2 3.93Å; Y37-G39 PolarHBondContact O-N 2.98Å; Y37-N41 CarbonylContact C-O 3.59Å; Y37-N41 VanDerWaalsContact CA-O 3.26Å; Y37-N41 WeakPolarHBondContact CA-O 2.99Å; Y37-N41 WeakPolarHBondContact CB-O 3.31Å; Y37-R42 HydrophobicContact CD1-CB 4.08Å; Y37-R42 HydrophobicContact CD1-CG 4.42Å; Y37-R42 HydrophobicContact CE1-CB 3.95Å; Y37-R42 HydrophobicContact CE1-CG 4.02Å; Y37-K96 HydrophobicContact CE2-CD 4.45Å; Y37-V154 WeakPolarHBondContact O-CA 3.21Å; Y37-V154 VanDerWaalsContact O-CG1 3.31Å; Y37-V154 WeakPolarHBondContact O-CG1 3.31Å; Y37-K155 HydrophobicContact CD2-CB 4.1Å; Y37-K155 WeakPolarHBondContact CD2-O 3.19Å; Y37-K155 HydrophobicContact CG-CB 4.22Å; Y37-K155 PolarHBondContact N-O 3.07Å; Y37-K155 PolarHBondContact O-N 3.15Å
38D84.5Confident84.9Confident28 Ų2851 Ų5115%0.1529%0.289CS..EExtended strand (participates in β ladder)trans-90.2100169.7-160.119.1000109.5M1 N41 S149M1-D38 HydrophobicContact CB-CB 4.1Å; M1-D38 HydrophobicContact CG-CB 3.47Å; M1-D38 VanDerWaalsContact CG-CB 3.47Å; M1-D38 VanDerWaalsContact CG-CG 3.44Å; M1-D38 WeakPolarHBondContact CG-OD1 3.46Å; M1-D38 PolarHBondContact N-OD1 2.93Å; D38-N41 PolarHBondContact N-O 3.01Å; D38-N41 WeakPolarHBondContact O-CB 3.34Å; D38-N41 PolarHBondContact O-N 3.13Å; D38-S149 PolarHBondContact OD1-OG 3.2Å; D38-S149 WeakPolarHBondContact OD2-CB 3.2Å; D38-S149 PolarHBondContact OD2-OG 2.9Å
39G80.1Confident85Confident0 Ų049.9 Ų49.90%028%0.281CS..THydrogen-bonded Turntrans54.3-120.6-168.400000112.7Y37 N41 H153Y37-G39 PolarHBondContact O-N 2.98Å; G39-N41 VanDerWaalsContact C-N 3.34Å; G39-H153 VanDerWaalsContact CA-NE2 3.35Å; G39-H153 WeakPolarHBondContact CA-NE2 3.25Å; G39-H153 VanDerWaalsContact CA-O 3.32Å; G39-H153 WeakPolarHBondContact CA-O 3.49Å; G39-H153 PolarHBondContact N-O 3.3Å
40P79.9Confident85.1Confident86 Ų8648.7 Ų48.756%0.55827%0.274SS*.THydrogen-bonded Turntrans-78-16.9175.532.1-33.4000113.6
41N82.6Confident85.2Confident110 Ų11043.7 Ų43.759%0.58825%0.251SS*.EExtended strand (participates in β ladder)trans-88.4137.3-170.8-62.1-42.5000111.6Y37 D38 G39 S43Y37-N41 CarbonylContact C-O 3.59Å; Y37-N41 VanDerWaalsContact CA-O 3.26Å; Y37-N41 WeakPolarHBondContact CA-O 2.99Å; Y37-N41 WeakPolarHBondContact CB-O 3.31Å; D38-N41 PolarHBondContact N-O 3.01Å; D38-N41 WeakPolarHBondContact O-CB 3.34Å; D38-N41 PolarHBondContact O-N 3.13Å; G39-N41 VanDerWaalsContact C-N 3.34Å; N41-S43 PolarHBondContact O-N 3.11Å
42R80.8Confident85.2Confident152 Ų15241.5 Ų41.557%0.57424%0.241SC*.EExtended strand (participates in β ladder)trans-70127172.5-170.9-179.5-176.9175.90.2108.9Y37 D46Y37-R42 HydrophobicContact CD1-CB 4.08Å; Y37-R42 HydrophobicContact CD1-CG 4.42Å; Y37-R42 HydrophobicContact CE1-CB 3.95Å; Y37-R42 HydrophobicContact CE1-CG 4.02Å; R42-D46 IonicContact CZ-OD2 2.79Å; R42-D46 IonicContact NE-OD2 3.3Å; R42-D46 IonicContact NH2-OD2 3.55Å; R42-D46 PolarHBondContact NH2-OD2 3.4Å
43S81.3Confident85.2Confident23 Ų2337 Ų3716%0.16121%0.21CC..PPolyproline II helixtrans-83.3173.1174.880.20000111.2L36 N41 F45L36-S43 VanDerWaalsContact C-OG 3.28Å; L36-S43 WeakPolarHBondContact O-CB 3.28Å; L36-S43 PolarHBondContact O-N 2.87Å; L36-S43 PolarHBondContact O-OG 2.97Å; N41-S43 PolarHBondContact O-N 3.11Å; S43-F45 PolarHBondContact O-N 3.31Å; S43-F45 WeakPolarHBondContact OG-CD2 3.37Å; S43-F45 PolarHBondContact OG-N 2.77Å
44A83.2Confident85.2Confident97 Ų9736.5 Ų36.580%0.80220%0.203SC*.SBendtrans-70.3-12173.700000113.5D46A44-D46 PolarHBondContact O-N 3.06Å
45F84.3Confident85Confident30 Ų3037.9 Ų37.913%0.13221%0.209CC..  trans-88.396.1-175.9-52.7-66.3000110.5M1 W6 L36 S43 W59 I70 V145M1-F45 HydrophobicContact CE-CD2 3.34Å; M1-F45 HydrophobicContact CE-CE2 3.66Å; M1-F45 HydrophobicContact CE-CG 4.47Å; W6-F45 AromaticContact CH2-CE1 3.9Å; W6-F45 HydrophobicContact CH2-CE1 3.9Å; W6-F45 HydrophobicContact CH2-CZ 4.34Å; W6-F45 HydrophobicContact CZ2-CE1 4.15Å; W6-F45 HydrophobicContact CZ2-CZ 4.12Å; L36-F45 HydrophobicContact CB-CB 4.06Å; L36-F45 HydrophobicContact CD1-CB 3.89Å; L36-F45 HydrophobicContact CD1-CD2 4.29Å; L36-F45 HydrophobicContact CD1-CG 4.24Å; L36-F45 HydrophobicContact CG-CB 4.03Å; L36-F45 PolarHBondContact N-O 3.13Å; S43-F45 PolarHBondContact O-N 3.31Å; S43-F45 WeakPolarHBondContact OG-CD2 3.37Å; S43-F45 PolarHBondContact OG-N 2.77Å; F45-W59 HydrophobicContact CB-CD2 4.2Å; F45-W59 HydrophobicContact CB-CE3 4.19Å; F45-W59 HydrophobicContact CB-CH2 3.62Å; F45-W59 HydrophobicContact CB-CZ2 3.58Å; F45-W59 HydrophobicContact CB-CZ3 3.94Å; F45-W59 AromaticContact CD1-CE3 3.92Å; F45-W59 HydrophobicContact CD1-CE3 3.92Å; F45-W59 AromaticContact CD1-CH2 3.7Å; F45-W59 HydrophobicContact CD1-CH2 3.7Å; F45-W59 HydrophobicContact CD1-CZ2 4.49Å; F45-W59 AromaticContact CD1-CZ3 3.36Å; F45-W59 HydrophobicContact CD1-CZ3 3.36Å; F45-W59 HydrophobicContact CE1-CZ3 4.28Å; F45-W59 HydrophobicContact CG-CE3 4.29Å; F45-W59 HydrophobicContact CG-CH2 4.13Å; F45-W59 HydrophobicContact CG-CZ3 4.02Å; F45-I70 HydrophobicContact CD1-CD1 3.65Å; F45-I70 HydrophobicContact CD2-CD1 4.39Å; F45-I70 HydrophobicContact CE1-CD1 3.13Å; F45-I70 HydrophobicContact CE2-CD1 3.97Å; F45-I70 HydrophobicContact CG-CD1 4.25Å; F45-I70 HydrophobicContact CZ-CD1 3.31Å; F45-V145 HydrophobicContact CE2-CG1 3.37Å; F45-V145 HydrophobicContact CZ-CG1 3.43Å; F45-V145 VanDerWaalsContact CZ-CG1 3.43Å
46D84.1Confident85Confident56 Ų5634.6 Ų34.630%0.29920%0.197SC..  trans-126.6133-175.4-171.8-9.2000110.8R35 R42 A44 G48R35-D46 WeakPolarHBondContact CD-OD1 3.43Å; R35-D46 WeakPolarHBondContact CG-OD1 3.42Å; R35-D46 IonicContact CZ-OD1 2.98Å; R35-D46 IonicContact CZ-OD2 3.84Å; R35-D46 IonicContact NE-OD1 3.14Å; R35-D46 PolarHBondContact NE-OD1 3.11Å; R35-D46 IonicContact NE-OD2 2.96Å; R35-D46 PolarHBondContact NE-OD2 3.47Å; R35-D46 IonicContact NH2-OD1 3.99Å; R42-D46 IonicContact CZ-OD2 2.79Å; R42-D46 IonicContact NE-OD2 3.3Å; R42-D46 IonicContact NH2-OD2 3.55Å; R42-D46 PolarHBondContact NH2-OD2 3.4Å; A44-D46 PolarHBondContact O-N 3.06Å; D46-G48 VanDerWaalsContact C-N 3.32Å; D46-G48 PolarHBondContact O-N 3.48Å
47G82.2Confident85Confident31 Ų3134.6 Ų34.632%0.3220%0.197SC..SBendtrans78.410.3171.100000115.3I34I34-G47 PolarHBondContact O-N 3.29Å
48G86.3Confident85.2Confident0 Ų033.7 Ų33.70%019%0.193CC..EExtended strand (participates in β ladder)trans-76.7173.9-175.900000114.9S32 G33 I34 D46 W59 S60S32-G48 CarbonylContact C-O 3.6Å; G33-G48 PolarHBondContact N-O 2.75Å; I34-G48 PolarHBondContact N-O 2.82Å; I34-G48 PolarHBondContact O-N 3.06Å; I34-G48 VanDerWaalsContact O-N 3.17Å; D46-G48 VanDerWaalsContact C-N 3.32Å; D46-G48 PolarHBondContact O-N 3.48Å; G48-W59 VanDerWaalsContact CA-CZ2 3.46Å; G48-S60 CarbonylContact C-O 3.57Å; G48-S60 VanDerWaalsContact CA-O 3.29Å; G48-S60 WeakPolarHBondContact CA-O 3.43Å
49L87.9Confident85.4Confident40 Ų4032.8 Ų32.821%0.20919%0.188CC..EExtended strand (participates in β ladder)trans-89.8121.6171.5-178.370.5000109.1Q30 K51 W59 S60Q30-L49 HydrophobicContact CB-CD1 4.39Å; L49-K51 HydrophobicContact CD2-CG 4.3Å; L49-K51 HydrophobicContact CG-CG 4.38Å; L49-W59 WeakPolarHBondContact O-CA 3.49Å; L49-S60 PolarHBondContact N-O 2.52Å; L49-S60 PolarHBondContact O-N 3.06Å
50L89.6Confident85.8Confident0 Ų033.4 Ų33.40%019%0.192CC..EExtended strand (participates in β ladder)trans-100117.7172.2-159.777.8000109.2Q30 K31 I34 I57 L58 W59 L156 F166Q30-L50 CarbonylContact C-O 3.5Å; Q30-L50 WeakPolarHBondContact CA-O 3.3Å; K31-L50 PolarHBondContact N-O 2.78Å; K31-L50 PolarHBondContact O-N 2.82Å; I34-L50 HydrophobicContact CB-CB 4.18Å; I34-L50 HydrophobicContact CD1-CB 3.3Å; I34-L50 HydrophobicContact CD1-CD2 3.76Å; I34-L50 HydrophobicContact CD1-CG 4.16Å; I34-L50 HydrophobicContact CG1-CB 4.3Å; I34-L50 HydrophobicContact CG2-CB 4.37Å; I34-L50 HydrophobicContact CG2-CD2 4.23Å; L50-I57 HydrophobicContact CD1-CG2 3.41Å; L50-I57 VanDerWaalsContact CD1-CG2 3.41Å; L50-I57 HydrophobicContact CD2-CG2 3.97Å; L50-I57 HydrophobicContact CG-CG2 3.66Å; L50-L58 CarbonylContact C-O 3.56Å; L50-L58 VanDerWaalsContact CA-O 3.29Å; L50-L58 WeakPolarHBondContact CA-O 3.45Å; L50-W59 HydrophobicContact CD1-CB 3.87Å; L50-W59 HydrophobicContact CD1-CG 4.24Å; L50-L156 HydrophobicContact CD2-CD1 3.76Å; L50-L156 HydrophobicContact CD2-CD2 4.45Å; L50-F166 HydrophobicContact CD2-CD2 4.38Å; L50-F166 HydrophobicContact CD2-CE1 3.92Å; L50-F166 HydrophobicContact CD2-CE2 3.53Å; L50-F166 HydrophobicContact CD2-CZ 3.26Å; L50-F166 HydrophobicContact CG-CE2 4.24Å; L50-F166 HydrophobicContact CG-CZ 4.21Å
51K89.3Confident86Confident10 Ų1032 Ų324%0.04318%0.18CC..EExtended strand (participates in β ladder)trans-101.8123.4170.1-58.3-175.8-176.8-174.80108.7D10 E12 L29 Q30 L49 L58D10-K51 IonicContact OD1-NZ 3.01Å; D10-K51 PolarHBondContact OD1-NZ 3.17Å; D10-K51 IonicContact OD2-NZ 2.97Å; D10-K51 PolarHBondContact OD2-NZ 3.47Å; E12-K51 IonicContact OE1-NZ 3.55Å; E12-K51 PolarHBondContact OE1-NZ 3.13Å; L29-K51 CarbonylContact O-C 3.55Å; Q30-K51 HydrophobicContact CB-CG 4.32Å; L49-K51 HydrophobicContact CD2-CG 4.3Å; L49-K51 HydrophobicContact CG-CG 4.38Å; K51-L58 HydrophobicContact CB-CB 4.25Å; K51-L58 PolarHBondContact N-O 3.28Å; K51-L58 PolarHBondContact O-N 3.23Å
52L89.7Confident85.7Confident0 Ų031.2 Ų31.20%018%0.181CC..EExtended strand (participates in β ladder)trans-90.1122.7167.1175.665.1000108V28 L29 I57 L74 F166 L170 V173V28-L52 HydrophobicContact CB-CD2 4.41Å; V28-L52 HydrophobicContact CB-CG 4.31Å; V28-L52 HydrophobicContact CG1-CD2 4.32Å; V28-L52 PolarHBondContact N-O 3.46Å; L29-L52 HydrophobicContact CB-CB 4.36Å; L29-L52 PolarHBondContact N-O 3.1Å; L29-L52 PolarHBondContact O-N 3.45Å; L52-I57 HydrophobicContact CD1-CG1 4Å; L52-L74 HydrophobicContact CD1-CD1 4.14Å; L52-L74 HydrophobicContact CD1-CD2 3.95Å; L52-F166 HydrophobicContact CB-CE2 3.83Å; L52-F166 HydrophobicContact CB-CZ 4.18Å; L52-L170 HydrophobicContact CD1-CD1 3.73Å; L52-L170 HydrophobicContact CD2-CB 4.23Å; L52-V173 HydrophobicContact CD2-CG2 4.24Å
53T87.6Confident85.4Confident0 Ų031.2 Ų31.20%019%0.191CC..EExtended strand (participates in β ladder)trans-110.3176.5174.779.30000109.7V11 E25 S26 V27 H55 R56 L58 L74V11-T53 HydrophobicContact CG2-CG2 3.87Å; E25-T53 HydrophobicContact CG-CG2 4.44Å; E25-T53 WeakPolarHBondContact OE1-CB 3.38Å; E25-T53 VanDerWaalsContact OE1-CG2 3.28Å; E25-T53 WeakPolarHBondContact OE1-CG2 3.47Å; E25-T53 PolarHBondContact OE1-OG1 3.36Å; S26-T53 CarbonylContact O-C 3.55Å; S26-T53 VanDerWaalsContact O-CA 3.26Å; S26-T53 WeakPolarHBondContact O-CA 3.4Å; S26-T53 WeakPolarHBondContact O-CB 3.41Å; V27-T53 HydrophobicContact CG2-CG2 4.44Å; T53-H55 PolarHBondContact O-N 3.17Å; T53-H55 PolarHBondContact OG1-N 3.49Å; T53-R56 PolarHBondContact N-O 3.12Å; T53-R56 WeakPolarHBondContact OG1-CG 3.4Å; T53-R56 PolarHBondContact OG1-N 3.47Å; T53-R56 PolarHBondContact OG1-O 3.27Å; T53-L58 HydrophobicContact CG2-CD1 4.02Å; T53-L58 HydrophobicContact CG2-CG 4.45Å; T53-L74 WeakPolarHBondContact O-CD1 3.26Å
54T84.1Confident84.9Confident10 Ų1031.9 Ų31.96%0.06120%0.198CC..SBendtrans-63.6-20.1174.145.70000114.2S26 V28 L178 W179S26-T54 PolarHBondContact N-OG1 3.21Å; S26-T54 PolarHBondContact O-N 3.05Å; S26-T54 PolarHBondContact O-OG1 3.17Å; S26-T54 WeakPolarHBondContact OG-CG2 3.29Å; V28-T54 HydrophobicContact CG2-CG2 4.07Å; T54-L178 HydrophobicContact CG2-CD1 3.48Å; T54-L178 VanDerWaalsContact CG2-CD1 3.48Å; T54-W179 VanDerWaalsContact O-CE3 3.26Å; T54-W179 VanDerWaalsContact O-CZ3 3.31Å; T54-W179 WeakPolarHBondContact O-CZ3 3.46Å
55H84.5Confident84Confident31 Ų3136 Ų3614%0.14421%0.206CC..SBendtrans-126.4-23.7-172.9-64.273.2000114.8E25 T53 L74 W120E25-H55 HydrophobicContact CG-CB 4.42Å; T53-H55 PolarHBondContact O-N 3.17Å; T53-H55 PolarHBondContact OG1-N 3.49Å; H55-L74 WeakPolarHBondContact O-CB 3.21Å; H55-L74 PolarHBondContact O-N 3.2Å; H55-W120 HydrophobicContact CB-CZ2 3.76Å
56R87.8Confident83.2Confident1 Ų139.4 Ų39.40%0.00423%0.229CC..EExtended strand (participates in β ladder)trans-148.8166-176.550.8179.5172.9171.11112.3C7 E25 T53 L58 L72 W120C7-R56 PolarHBondContact SG-NH1 2.94Å; C7-R56 VanDerWaalsContact SG-NH1 3.4Å; E25-R56 WeakPolarHBondContact OE1-CG 3.15Å; E25-R56 IonicContact OE1-CZ 3.63Å; E25-R56 IonicContact OE1-NE 2.65Å; E25-R56 PolarHBondContact OE1-NE 3.17Å; E25-R56 IonicContact OE1-NH2 3.7Å; E25-R56 IonicContact OE2-CZ 3.45Å; E25-R56 IonicContact OE2-NE 3.89Å; E25-R56 PolarHBondContact OE2-NE 3.47Å; E25-R56 IonicContact OE2-NH2 3.52Å; E25-R56 PolarHBondContact OE2-NH2 3.39Å; T53-R56 PolarHBondContact N-O 3.12Å; T53-R56 WeakPolarHBondContact OG1-CG 3.4Å; T53-R56 PolarHBondContact OG1-N 3.47Å; T53-R56 PolarHBondContact OG1-O 3.27Å; R56-L58 HydrophobicContact CG-CD2 4.38Å; R56-L58 HydrophobicContact CG-CG 4.32Å; R56-L72 CarbonylContact C-O 3.57Å; R56-L72 VanDerWaalsContact CA-O 3.26Å; R56-L72 WeakPolarHBondContact CA-O 3.48Å; R56-L72 WeakPolarHBondContact CB-O 3.36Å; R56-W120 HydrophobicContact CB-CH2 4.29Å; R56-W120 HydrophobicContact CB-CZ2 4.29Å; R56-W120 HydrophobicContact CG-CH2 4.48Å; R56-W120 HydrophobicContact CG-CZ2 4.06Å
57I89.6Confident82.3Confident1 Ų141.4 Ų41.41%0.00525%0.247CC..EExtended strand (participates in β ladder)trans-103.1123.5165.9-60178.7000106.7L50 L52 A71 L72 L74 I77 L99 L170L50-I57 HydrophobicContact CD1-CG2 3.41Å; L50-I57 VanDerWaalsContact CD1-CG2 3.41Å; L50-I57 HydrophobicContact CD2-CG2 3.97Å; L50-I57 HydrophobicContact CG-CG2 3.66Å; L52-I57 HydrophobicContact CD1-CG1 4Å; I57-A71 CarbonylContact O-C 3.53Å; I57-A71 WeakPolarHBondContact O-CA 3.43Å; I57-L72 HydrophobicContact CB-CB 4.49Å; I57-L72 PolarHBondContact N-O 3.09Å; I57-L72 PolarHBondContact O-N 2.93Å; I57-L74 HydrophobicContact CD1-CD2 3.94Å; I57-L74 HydrophobicContact CG1-CD2 3.57Å; I57-I77 HydrophobicContact CD1-CD1 3.74Å; I57-L99 HydrophobicContact CD1-CD1 4.08Å; I57-L170 HydrophobicContact CD1-CD1 4.09Å
58L89.2Confident81.9Confident1 Ų141.7 Ų41.71%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-105.3134.1175.2-65.6171.6000109.2V11 L50 K51 T53 R56 I70 A71V11-L58 HydrophobicContact CG2-CD1 3.77Å; L50-L58 CarbonylContact C-O 3.56Å; L50-L58 VanDerWaalsContact CA-O 3.29Å; L50-L58 WeakPolarHBondContact CA-O 3.45Å; K51-L58 HydrophobicContact CB-CB 4.25Å; K51-L58 PolarHBondContact N-O 3.28Å; K51-L58 PolarHBondContact O-N 3.23Å; T53-L58 HydrophobicContact CG2-CD1 4.02Å; T53-L58 HydrophobicContact CG2-CG 4.45Å; R56-L58 HydrophobicContact CG-CD2 4.38Å; R56-L58 HydrophobicContact CG-CG 4.32Å; L58-I70 CarbonylContact C-O 3.52Å; L58-I70 WeakPolarHBondContact CA-O 3.31Å; L58-A71 HydrophobicContact CD2-CB 3.63Å
59W89.3Confident81.7Confident9 Ų942.3 Ų42.33%0.03425%0.247CC..EExtended strand (participates in β ladder)trans-119.5131169.9-173.291.8000108.9I34 L36 F45 G48 L49 L50 D61 I70I34-W59 PolarHBondContact O-NE1 2.92Å; L36-W59 HydrophobicContact CD1-CB 4.08Å; L36-W59 HydrophobicContact CD1-CD2 4.08Å; L36-W59 HydrophobicContact CD1-CG 3.77Å; L36-W59 HydrophobicContact CG-CG 4.24Å; F45-W59 HydrophobicContact CB-CD2 4.2Å; F45-W59 HydrophobicContact CB-CE3 4.19Å; F45-W59 HydrophobicContact CB-CH2 3.62Å; F45-W59 HydrophobicContact CB-CZ2 3.58Å; F45-W59 HydrophobicContact CB-CZ3 3.94Å; F45-W59 AromaticContact CD1-CE3 3.92Å; F45-W59 HydrophobicContact CD1-CE3 3.92Å; F45-W59 AromaticContact CD1-CH2 3.7Å; F45-W59 HydrophobicContact CD1-CH2 3.7Å; F45-W59 HydrophobicContact CD1-CZ2 4.49Å; F45-W59 AromaticContact CD1-CZ3 3.36Å; F45-W59 HydrophobicContact CD1-CZ3 3.36Å; F45-W59 HydrophobicContact CE1-CZ3 4.28Å; F45-W59 HydrophobicContact CG-CE3 4.29Å; F45-W59 HydrophobicContact CG-CH2 4.13Å; F45-W59 HydrophobicContact CG-CZ3 4.02Å; G48-W59 VanDerWaalsContact CA-CZ2 3.46Å; L49-W59 WeakPolarHBondContact O-CA 3.49Å; L50-W59 HydrophobicContact CD1-CB 3.87Å; L50-W59 HydrophobicContact CD1-CG 4.24Å; W59-D61 HydrophobicContact CH2-CB 3.93Å; W59-D61 HydrophobicContact CZ3-CB 4.08Å; W59-I70 HydrophobicContact CE3-CD1 4.27Å; W59-I70 PolarHBondContact N-O 3.28Å; W59-I70 PolarHBondContact O-N 3.34Å
60S87.8Confident81.6Confident14 Ų1440.4 Ų40.410%0.09824%0.237CC..EExtended strand (participates in β ladder)trans-133.3145.6175.760.40000110.9G48 L49 P62G48-S60 CarbonylContact C-O 3.57Å; G48-S60 VanDerWaalsContact CA-O 3.29Å; G48-S60 WeakPolarHBondContact CA-O 3.43Å; L49-S60 PolarHBondContact N-O 2.52Å; L49-S60 PolarHBondContact O-N 3.06Å; S60-P62 WeakPolarHBondContact O-CD 3.47Å
61D83.8Confident81.5Confident57 Ų5740.4 Ų40.431%0.30524%0.238SC..  trans-86.7113169.7-174.3-4.6000109.4W59 L63 A64W59-D61 HydrophobicContact CH2-CB 3.93Å; W59-D61 HydrophobicContact CZ3-CB 4.08Å; D61-L63 PolarHBondContact O-N 2.91Å; D61-L63 WeakPolarHBondContact OD1-CB 3.47Å; D61-L63 PolarHBondContact OD1-N 2.86Å; D61-A64 HydrophobicContact CB-CB 4.02Å; D61-A64 PolarHBondContact O-N 2.8Å
62P76.8Confident81.5Confident92 Ų9240 Ų4060%0.59724%0.235SC*.THydrogen-bonded Turntrans-66.4-14.2178.128.8-35000113.4S60S60-P62 WeakPolarHBondContact O-CD 3.47Å
63L74.5Confident81.3Confident152 Ų15240 Ų4080%0.79624%0.236SC*.THydrogen-bonded Turntrans-93.3-11179.1-63.5169.4000113.1D61 L65D61-L63 PolarHBondContact O-N 2.91Å; D61-L63 WeakPolarHBondContact OD1-CB 3.47Å; D61-L63 PolarHBondContact OD1-N 2.86Å; L63-L65 PolarHBondContact O-N 2.82Å
64A71.5Confident81.4Confident37 Ų3740 Ų4031%0.30624%0.236SC..  trans-71.6128.6178.800000110.5D61 T66D61-A64 HydrophobicContact CB-CB 4.02Å; D61-A64 PolarHBondContact O-N 2.8Å; A64-T66 WeakPolarHBondContact CB-O 3.4Å; A64-T66 PolarHBondContact O-N 2.82Å; A64-T66 VanDerWaalsContact O-N 3.17Å
65L64.4Low81.5Confident185 Ų18540.2 Ų40.297%0.96924%0.239SC*.SBendtrans-62.3-19.9175.8-102.182000113.2L63L63-L65 PolarHBondContact O-N 2.82Å
66T66.3Low81.6Confident101 Ų10138.8 Ų38.862%0.6223%0.232SC*.SBendtrans-111.1133.6176.354.90000108.4A64 S68A64-T66 WeakPolarHBondContact CB-O 3.4Å; A64-T66 PolarHBondContact O-N 2.82Å; A64-T66 VanDerWaalsContact O-N 3.17Å; T66-S68 PolarHBondContact O-N 3.44Å
67S66.8Low81.6Confident97 Ų9739.5 Ų39.568%0.67824%0.236SC*.  trans-70.476.6175.3-57.80000109.8
68S73.2Confident81.5Confident37 Ų3744.1 Ų44.126%0.25926%0.259SS..  trans-95.8114175.464.60000109.2T66T66-S68 PolarHBondContact O-N 3.44Å
69F81.9Confident81.3Confident13 Ų1346 Ų466%0.05727%0.273CS..EExtended strand (participates in β ladder)trans-102149.8176.4-56.4-90.9000110W6 C7 D10W6-F69 CarbonylContact C-O 3.55Å; W6-F69 WeakPolarHBondContact CA-O 3.31Å; C7-F69 PolarHBondContact N-O 2.74Å; C7-F69 WeakPolarHBondContact O-CB 3.35Å; C7-F69 PolarHBondContact O-N 3.25Å; D10-F69 HydrophobicContact CB-CE1 4.18Å; D10-F69 HydrophobicContact CB-CE2 3.95Å; D10-F69 HydrophobicContact CB-CZ 3.6Å
70I86.3Confident81.3Confident0 Ų047 Ų470%028%0.28CS..EExtended strand (participates in β ladder)trans-119.3125.7171.4-66.7176.2000107.9F4 R5 W6 F45 L58 W59 V145F4-I70 HydrophobicContact CB-CG2 3.59Å; F4-I70 HydrophobicContact CD1-CG2 3.46Å; F4-I70 VanDerWaalsContact CD1-CG2 3.46Å; F4-I70 HydrophobicContact CE1-CG2 4.43Å; F4-I70 HydrophobicContact CG-CG2 3.92Å; R5-I70 CarbonylContact O-C 3.45Å; R5-I70 WeakPolarHBondContact O-CA 3.31Å; W6-I70 HydrophobicContact CD2-CD1 4.37Å; W6-I70 HydrophobicContact CD2-CG1 3.89Å; W6-I70 HydrophobicContact CE3-CD1 4.09Å; W6-I70 HydrophobicContact CE3-CG1 3.48Å; W6-I70 VanDerWaalsContact CE3-CG1 3.48Å; W6-I70 HydrophobicContact CH2-CD1 3.67Å; W6-I70 HydrophobicContact CH2-CG1 4.01Å; W6-I70 HydrophobicContact CZ2-CD1 3.93Å; W6-I70 HydrophobicContact CZ2-CG1 4.35Å; W6-I70 HydrophobicContact CZ3-CD1 3.73Å; W6-I70 HydrophobicContact CZ3-CG1 3.55Å; F45-I70 HydrophobicContact CD1-CD1 3.65Å; F45-I70 HydrophobicContact CD2-CD1 4.39Å; F45-I70 HydrophobicContact CE1-CD1 3.13Å; F45-I70 HydrophobicContact CE2-CD1 3.97Å; F45-I70 HydrophobicContact CG-CD1 4.25Å; F45-I70 HydrophobicContact CZ-CD1 3.31Å; L58-I70 CarbonylContact C-O 3.52Å; L58-I70 WeakPolarHBondContact CA-O 3.31Å; W59-I70 HydrophobicContact CE3-CD1 4.27Å; W59-I70 PolarHBondContact N-O 3.28Å; W59-I70 PolarHBondContact O-N 3.34Å; I70-V145 HydrophobicContact CB-CG2 4.42Å; I70-V145 HydrophobicContact CD1-CG1 4.29Å; I70-V145 HydrophobicContact CD1-CG2 3.93Å; I70-V145 HydrophobicContact CG1-CG2 4Å; I70-V145 HydrophobicContact CG2-CG2 3.6Å
71A87.3Confident81.3Confident1 Ų153.2 Ų53.21%0.00831%0.305CS..EExtended strand (participates in β ladder)trans-112137.4-17500000112.4F4 R5 C7 I57 L58F4-A71 WeakPolarHBondContact CA-O 3.33Å; R5-A71 PolarHBondContact N-O 3.24Å; R5-A71 PolarHBondContact O-N 3.35Å; C7-A71 HydrophobicContact CB-CB 4.44Å; I57-A71 CarbonylContact O-C 3.53Å; I57-A71 WeakPolarHBondContact O-CA 3.43Å; L58-A71 HydrophobicContact CD2-CB 3.63Å
72L88.1Confident81.4Confident0 Ų053.2 Ų53.20%031%0.307CS..EExtended strand (participates in β ladder)trans-121.5115.3165176.871.2000109.5R3 F4 R56 I57 L74 A76 I77 L99 L101R3-L72 HydrophobicContact CB-CD1 4.23Å; R3-L72 VanDerWaalsContact O-CD1 3.31Å; R3-L72 WeakPolarHBondContact O-CD1 3.36Å; F4-L72 HydrophobicContact CD1-CB 3.6Å; F4-L72 HydrophobicContact CD2-CD1 4.29Å; F4-L72 HydrophobicContact CE1-CB 3.4Å; F4-L72 VanDerWaalsContact CE1-CB 3.4Å; F4-L72 HydrophobicContact CE1-CD2 4.21Å; F4-L72 HydrophobicContact CE1-CG 4.31Å; F4-L72 HydrophobicContact CE2-CB 4.25Å; F4-L72 HydrophobicContact CE2-CD1 4.16Å; F4-L72 HydrophobicContact CE2-CD2 4Å; F4-L72 HydrophobicContact CE2-CG 4.37Å; F4-L72 HydrophobicContact CG-CB 4.23Å; F4-L72 HydrophobicContact CZ-CB 3.75Å; F4-L72 HydrophobicContact CZ-CD1 4.45Å; F4-L72 HydrophobicContact CZ-CD2 3.68Å; F4-L72 HydrophobicContact CZ-CG 4.16Å; R56-L72 CarbonylContact C-O 3.57Å; R56-L72 VanDerWaalsContact CA-O 3.26Å; R56-L72 WeakPolarHBondContact CA-O 3.48Å; R56-L72 WeakPolarHBondContact CB-O 3.36Å; I57-L72 HydrophobicContact CB-CB 4.49Å; I57-L72 PolarHBondContact N-O 3.09Å; I57-L72 PolarHBondContact O-N 2.93Å; L72-L74 PolarHBondContact O-N 2.89Å; L72-A76 HydrophobicContact CD1-CB 3.85Å; L72-A76 HydrophobicContact CG-CB 4.48Å; L72-I77 HydrophobicContact CD2-CD1 4.37Å; L72-I77 HydrophobicContact CD2-CG1 4.24Å; L72-L99 HydrophobicContact CD2-CD1 4.2Å; L72-L101 HydrophobicContact CD1-CD1 4.2Å; L72-L101 HydrophobicContact CD1-CD2 4.24Å; L72-L101 HydrophobicContact CD2-CD2 3.81Å
73P87.5Confident81.7Confident1 Ų151.4 Ų51.41%0.00629%0.291CS..EExtended strand (participates in β ladder)trans-58.4134173.9-23.833.3000110.4A75 A76 L111 W120 W124P73-A75 PolarHBondContact O-N 2.83Å; P73-A76 WeakPolarHBondContact O-CB 3.49Å; P73-A76 PolarHBondContact O-N 2.81Å; P73-L111 HydrophobicContact CB-CD2 4.25Å; P73-W120 HydrophobicContact CB-CH2 4.2Å; P73-W120 HydrophobicContact CB-CZ3 4.46Å; P73-W120 HydrophobicContact CG-CH2 4.24Å; P73-W120 HydrophobicContact CG-CZ3 4.02Å; P73-W124 HydrophobicContact CG-CD2 4.15Å; P73-W124 HydrophobicContact CG-CE3 4.11Å; P73-W124 HydrophobicContact CG-CH2 3.5Å; P73-W124 VanDerWaalsContact CG-CH2 3.5Å; P73-W124 HydrophobicContact CG-CZ2 3.52Å; P73-W124 HydrophobicContact CG-CZ3 3.81Å
74L88.6Confident81.7Confident1 Ų150.9 Ų50.91%0.00528%0.284CS..G310 helixtrans-63.3-25.2176.4-70.3176.9000111.9L52 T53 H55 I57 L72 A76 I77 L170 V173 L174 W179L52-L74 HydrophobicContact CD1-CD1 4.14Å; L52-L74 HydrophobicContact CD1-CD2 3.95Å; T53-L74 WeakPolarHBondContact O-CD1 3.26Å; H55-L74 WeakPolarHBondContact O-CB 3.21Å; H55-L74 PolarHBondContact O-N 3.2Å; I57-L74 HydrophobicContact CD1-CD2 3.94Å; I57-L74 HydrophobicContact CG1-CD2 3.57Å; L72-L74 PolarHBondContact O-N 2.89Å; L74-A76 PolarHBondContact O-N 3.27Å; L74-A76 VanDerWaalsContact O-N 3.15Å; L74-I77 HydrophobicContact CD2-CD1 3.72Å; L74-I77 PolarHBondContact O-N 3.2Å; L74-L170 HydrophobicContact CD2-CD1 3.6Å; L74-V173 HydrophobicContact CD1-CB 4.4Å; L74-V173 HydrophobicContact CD1-CG1 3.39Å; L74-L174 HydrophobicContact CB-CD2 4.39Å; L74-W179 HydrophobicContact CB-CE3 4.17Å; L74-W179 HydrophobicContact CB-CH2 3.35Å; L74-W179 HydrophobicContact CB-CZ2 3.94Å; L74-W179 HydrophobicContact CB-CZ3 3.48Å; L74-W179 VanDerWaalsContact CB-CZ3 3.48Å; L74-W179 HydrophobicContact CD1-CE3 4.5Å; L74-W179 HydrophobicContact CD1-CH2 4.04Å; L74-W179 HydrophobicContact CD1-CZ3 3.59Å; L74-W179 HydrophobicContact CG-CH2 4.33Å; L74-W179 HydrophobicContact CG-CZ3 4.18Å
75A85.7Confident81.2Confident14 Ų1450.8 Ų50.812%0.11629%0.286CS..G310 helixtrans-58-21.7170.600000113.7P73 I77 L102 V110 L111P73-A75 PolarHBondContact O-N 2.83Å; A75-I77 VanDerWaalsContact C-N 3.35Å; A75-L102 WeakPolarHBondContact O-CD1 3.49Å; A75-V110 HydrophobicContact CB-CG1 4Å; A75-L111 HydrophobicContact CB-CD2 4.4Å
76A87.2Confident80.6Confident0 Ų044.6 Ų44.60%027%0.268CS..G310 helixtrans-76.9-18.2176.600000113.7L72 P73 L74 L101 L102 L107L72-A76 HydrophobicContact CD1-CB 3.85Å; L72-A76 HydrophobicContact CG-CB 4.48Å; P73-A76 WeakPolarHBondContact O-CB 3.49Å; P73-A76 PolarHBondContact O-N 2.81Å; L74-A76 PolarHBondContact O-N 3.27Å; L74-A76 VanDerWaalsContact O-N 3.15Å; A76-L101 CarbonylContact O-C 3.59Å; A76-L101 WeakPolarHBondContact O-CA 3.39Å; A76-L102 PolarHBondContact O-N 2.92Å; A76-L107 HydrophobicContact CB-CD1 3.62Å; A76-L107 HydrophobicContact CB-CD2 3.78Å; A76-L107 HydrophobicContact CB-CG 4.31Å
77I88.4Confident79.6Confident17 Ų1742.3 Ų42.39%0.08726%0.264CS..EExtended strand (participates in β ladder)trans-87.3119.2-171-56.5175.4000110.1I57 L72 L74 A75 V80 L99 L101 L170 L174I57-I77 HydrophobicContact CD1-CD1 3.74Å; L72-I77 HydrophobicContact CD2-CD1 4.37Å; L72-I77 HydrophobicContact CD2-CG1 4.24Å; L74-I77 HydrophobicContact CD2-CD1 3.72Å; L74-I77 PolarHBondContact O-N 3.2Å; A75-I77 VanDerWaalsContact C-N 3.35Å; I77-V80 HydrophobicContact CG2-CG2 3.86Å; I77-L99 HydrophobicContact CD1-CD1 4.21Å; I77-L99 HydrophobicContact CD1-CD2 4.49Å; I77-L99 HydrophobicContact CG2-CD2 4.5Å; I77-L101 HydrophobicContact CG1-CD2 4.04Å; I77-L170 HydrophobicContact CD1-CD1 4.3Å; I77-L174 HydrophobicContact CB-CD2 4.21Å; I77-L174 HydrophobicContact CG2-CD1 4.14Å
78I86.1Confident78.4Confident97 Ų9742.2 Ų42.250%0.49726%0.264SS..EExtended strand (participates in β ladder)trans-86.5-48.1176.3-55.7174.6000110.5R100 L101 L102I78-R100 PolarHBondContact N-O 2.82Å; I78-L101 WeakPolarHBondContact CD1-O 3.36Å; I78-L102 HydrophobicContact CD1-CD2 3.83Å; I78-L102 HydrophobicContact CD1-CG 4.26Å; I78-L102 HydrophobicContact CG1-CD2 3.79Å; I78-L102 HydrophobicContact CG1-CG 3.9Å
79S86.1Confident77.3Confident41 Ų4149.1 Ų49.129%0.28730%0.297SS..EExtended strand (participates in β ladder)trans-153.9148.7-175.369.40000111.3R100S79-R100 PolarHBondContact O-N 2.92Å; S79-R100 WeakPolarHBondContact OG-CB 3.09Å
80V88.6Confident75.9Confident30 Ų3054.6 Ų54.618%0.18233%0.331CS..EExtended strand (participates in β ladder)trans-115.9126175.9-174.80000108.6I77 I98 L99 L167 L170 L174I77-V80 HydrophobicContact CG2-CG2 3.86Å; V80-I98 CarbonylContact C-O 3.59Å; V80-I98 WeakPolarHBondContact CA-O 3.35Å; V80-L99 HydrophobicContact CB-CD2 4.28Å; V80-L99 HydrophobicContact CG1-CD2 3.89Å; V80-L99 HydrophobicContact CG2-CD2 3.67Å; V80-L167 HydrophobicContact CG1-CD1 4.06Å; V80-L170 HydrophobicContact CG1-CD2 4.29Å; V80-L170 HydrophobicContact CG2-CD2 3.77Å; V80-L170 HydrophobicContact CG2-CG 4.5Å; V80-L174 HydrophobicContact CG2-CD1 3.93Å
81K87.6Confident74.4Confident144 Ų14459 Ų5963%0.62636%0.358SS*.EExtended strand (participates in β ladder)trans-119147.4173.3-69.3-171.7176.2-172.70110.5L97 I98K81-L97 CarbonylContact O-C 3.44Å; K81-I98 HydrophobicContact CB-CB 4.34Å; K81-I98 PolarHBondContact N-O 2.69Å; K81-I98 PolarHBondContact O-N 3.49Å
82V86.5Confident72.8Confident58 Ų5864.5 Ų64.535%0.35240%0.396SS..EExtended strand (participates in β ladder)trans-96.8125.8174-171.20000108.8E84 L97 L167V82-E84 HydrophobicContact CG1-CG 3.9Å; V82-L97 HydrophobicContact CB-CD2 4.37Å; V82-L97 HydrophobicContact CG1-CD2 4.27Å; V82-L97 HydrophobicContact CG2-CD2 3.78Å; V82-L167 HydrophobicContact CG2-CD1 3.25Å
83E83.1Confident71.7Confident54 Ų5471.6 Ų71.625%0.25242%0.423SS..EExtended strand (participates in β ladder)trans-101.195164.3-169.1-176.315200106.2K96 I98 K155E83-K96 HydrophobicContact CB-CB 4.31Å; E83-K96 PolarHBondContact N-O 3.15Å; E83-K96 PolarHBondContact O-N 2.87Å; E83-I98 HydrophobicContact CB-CD1 4.07Å; E83-I98 HydrophobicContact CB-CG1 4.38Å; E83-K155 IonicContact OE2-NZ 2.83Å; E83-K155 PolarHBondContact OE2-NZ 2.98Å
84E74.8Confident71.2Confident140 Ų14073.2 Ų73.265%0.65443%0.433SS*.  trans-65.2135.1173.8-68.7-169.6177.600109.3V82 G86V82-E84 HydrophobicContact CG1-CG 3.9Å; E84-G86 VanDerWaalsContact C-N 3.33Å; E84-G86 PolarHBondContact O-N 3.46Å
85G60.9Low71Confident35 Ų3574.5 Ų74.536%0.36144%0.442SS..  trans-68.185.5-178.200000112.2G87 R93G85-G87 PolarHBondContact O-N 3.31Å; G85-R93 VanDerWaalsContact CA-O 3.22Å; G85-R93 WeakPolarHBondContact CA-O 3.41Å
86G52.2Low71.1Confident56 Ų5675.7 Ų75.758%0.57744%0.444SS*.  trans-76.5108.1170.600000110.9E84E84-G86 VanDerWaalsContact C-N 3.33Å; E84-G86 PolarHBondContact O-N 3.46Å
87G45.5Very low71.2Confident52 Ų5275.7 Ų75.754%0.53644%0.444SS..  trans-93.1115.3173.500000111.6G85 V91G85-G87 PolarHBondContact O-N 3.31Å; G87-V91 WeakPolarHBondContact CA-O 3.37Å
88S41.5Very low71.3Confident96 Ų9676.6 Ų76.667%0.67145%0.449SS*.  trans-70.3152.1149.7-174.60000108.1T90 V91S88-T90 PolarHBondContact O-N 2.87Å; S88-V91 PolarHBondContact O-N 3.41Å; S88-V91 VanDerWaalsContact O-N 3.13Å
89L50Low71.5Confident182 Ų18272 Ų7295%0.95343%0.425SS*.THydrogen-bonded Turntrans-46.7-3-163.5-86.899.9000118.6
90T52.8Low71.6Confident127 Ų12777 Ų7778%0.77944%0.438SS*.THydrogen-bonded Turntrans-129.4-5.4-173.655.70000115.5S88S88-T90 PolarHBondContact O-N 2.87Å
91V53.7Low71.6Confident92 Ų9276 Ų7656%0.55843%0.431SS*.  trans-143.4104.3179.2-1750000110.6G87 S88 R93G87-V91 WeakPolarHBondContact CA-O 3.37Å; S88-V91 PolarHBondContact O-N 3.41Å; S88-V91 VanDerWaalsContact O-N 3.13Å; V91-R93 HydrophobicContact CG1-CG 4.48Å; V91-R93 PolarHBondContact O-N 3.16Å
92S53.1Low71.5Confident118 Ų11871 Ų7183%0.82541%0.411SS*.  trans-72.7114.5169.775.30000109
93R66.8Low71.4Confident148 Ų14871.4 Ų71.456%0.55841%0.414SS*.PPolyproline II helixtrans-86.8127.4172-69.1-176.2177.1-172.22.9107.5G85 V91G85-R93 VanDerWaalsContact CA-O 3.22Å; G85-R93 WeakPolarHBondContact CA-O 3.41Å; V91-R93 HydrophobicContact CG1-CG 4.48Å; V91-R93 PolarHBondContact O-N 3.16Å
94T75.4Confident71.2Confident35 Ų3570.3 Ų70.322%0.21541%0.414CS..PPolyproline II helixtrans-69.5145.917151.90000109.5P159T94-P159 HydrophobicContact CG2-CB 4.42Å
95P85Confident71.4Confident29 Ų2966.5 Ų66.519%0.18841%0.406CS..PPolyproline II helixtrans-60.2139.1174.725-33.2000110.2F158P95-F158 WeakPolarHBondContact CD-O 2.99Å; P95-F158 HydrophobicContact CG-CB 4.34Å; P95-F158 PolarHBondContact O-N 3.01Å
96K87.9Confident72.4Confident38 Ų3866.2 Ų66.217%0.16540%0.401CS..EExtended strand (participates in β ladder)trans-126.7137-180-60.4175.5-172.9174.40110.6Y37 E83 K155 L156Y37-K96 HydrophobicContact CE2-CD 4.45Å; E83-K96 HydrophobicContact CB-CB 4.31Å; E83-K96 PolarHBondContact N-O 3.15Å; E83-K96 PolarHBondContact O-N 2.87Å; K96-K155 HydrophobicContact CB-CB 4.4Å; K96-K155 HydrophobicContact CD-CD 4.13Å; K96-L156 CarbonylContact C-O 3.59Å; K96-L156 VanDerWaalsContact CA-O 3.26Å; K96-L156 WeakPolarHBondContact CA-O 3.49Å
97L89.2Confident73.9Confident0 Ų063.8 Ų63.80%038%0.375CS..EExtended strand (participates in β ladder)trans-95.4121166.8-59.9-177.2000108.9K81 V82 K155 L156 F158 F166 L167K81-L97 CarbonylContact O-C 3.44Å; V82-L97 HydrophobicContact CB-CD2 4.37Å; V82-L97 HydrophobicContact CG1-CD2 4.27Å; V82-L97 HydrophobicContact CG2-CD2 3.78Å; L97-K155 CarbonylContact O-C 3.58Å; L97-K155 VanDerWaalsContact O-CA 3.25Å; L97-K155 WeakPolarHBondContact O-CA 3.31Å; L97-L156 HydrophobicContact CB-CB 4.28Å; L97-L156 PolarHBondContact N-O 3.49Å; L97-L156 PolarHBondContact O-N 2.85Å; L97-F158 HydrophobicContact CB-CE2 4.18Å; L97-F158 HydrophobicContact CD1-CD2 4.48Å; L97-F158 HydrophobicContact CD1-CE2 3.49Å; L97-F158 VanDerWaalsContact CD1-CE2 3.49Å; L97-F158 HydrophobicContact CD1-CZ 3.78Å; L97-F158 HydrophobicContact CG-CD2 4.22Å; L97-F158 HydrophobicContact CG-CE2 3.57Å; L97-F158 HydrophobicContact CG-CZ 4.37Å; L97-F166 HydrophobicContact CD1-CD1 3.78Å; L97-F166 HydrophobicContact CD1-CE1 4.5Å; L97-L167 HydrophobicContact CD1-CB 4.1Å; L97-L167 HydrophobicContact CD2-CB 4.3Å; L97-L167 HydrophobicContact CD2-CD1 3.64Å
98I89.6Confident75.5Confident37 Ų3764.4 Ų64.419%0.1936%0.363CS..EExtended strand (participates in β ladder)trans-93112.4177-55.3176.1000108V80 K81 E83 H153 K155V80-I98 CarbonylContact C-O 3.59Å; V80-I98 WeakPolarHBondContact CA-O 3.35Å; K81-I98 HydrophobicContact CB-CB 4.34Å; K81-I98 PolarHBondContact N-O 2.69Å; K81-I98 PolarHBondContact O-N 3.49Å; E83-I98 HydrophobicContact CB-CD1 4.07Å; E83-I98 HydrophobicContact CB-CG1 4.38Å; I98-H153 HydrophobicContact CG2-CB 4.11Å; I98-K155 HydrophobicContact CG1-CD 4.08Å; I98-K155 HydrophobicContact CG1-CG 4.09Å
99L91.1Very high77.4Confident0 Ų064.1 Ų64.10%036%0.355CS..EExtended strand (participates in β ladder)trans-94.2114.5172.8-53.6-178000108.5I57 L72 I77 V80 L101 H153 V154 L156 L170I57-L99 HydrophobicContact CD1-CD1 4.08Å; L72-L99 HydrophobicContact CD2-CD1 4.2Å; I77-L99 HydrophobicContact CD1-CD1 4.21Å; I77-L99 HydrophobicContact CD1-CD2 4.49Å; I77-L99 HydrophobicContact CG2-CD2 4.5Å; V80-L99 HydrophobicContact CB-CD2 4.28Å; V80-L99 HydrophobicContact CG1-CD2 3.89Å; V80-L99 HydrophobicContact CG2-CD2 3.67Å; L99-L101 HydrophobicContact CB-CD2 4.15Å; L99-H153 CarbonylContact O-C 3.48Å; L99-H153 WeakPolarHBondContact O-CA 3.29Å; L99-H153 WeakPolarHBondContact O-CB 3.39Å; L99-V154 PolarHBondContact N-O 3.01Å; L99-V154 PolarHBondContact O-N 2.8Å; L99-L156 HydrophobicContact CD1-CD1 3.84Å; L99-L156 HydrophobicContact CD1-CD2 4.38Å; L99-L156 HydrophobicContact CD1-CG 4.01Å; L99-L156 HydrophobicContact CG-CD1 4.34Å; L99-L156 HydrophobicContact CG-CG 4.35Å; L99-L170 HydrophobicContact CD2-CD2 3.94Å
100R89.1Confident78.9Confident146 Ų14657.7 Ų57.755%0.55132%0.323SS*.EExtended strand (participates in β ladder)trans-84.8127.7169.6-164.8178.8-177.9-179.6-0.1108.6I78 S79I78-R100 PolarHBondContact N-O 2.82Å; S79-R100 PolarHBondContact O-N 2.92Å; S79-R100 WeakPolarHBondContact OG-CB 3.09Å
101L88.6Confident80.2Confident8 Ų851.9 Ų51.94%0.04229%0.287CS..EExtended strand (participates in β ladder)trans-109154.8-172-54.5-179.7000111.4R3 L72 A76 I77 I78 L99 D152 V154R3-L101 HydrophobicContact CB-CD1 4.16Å; L72-L101 HydrophobicContact CD1-CD1 4.2Å; L72-L101 HydrophobicContact CD1-CD2 4.24Å; L72-L101 HydrophobicContact CD2-CD2 3.81Å; A76-L101 CarbonylContact O-C 3.59Å; A76-L101 WeakPolarHBondContact O-CA 3.39Å; I77-L101 HydrophobicContact CG1-CD2 4.04Å; I78-L101 WeakPolarHBondContact CD1-O 3.36Å; L99-L101 HydrophobicContact CB-CD2 4.15Å; L101-D152 PolarHBondContact N-O 3.35Å; L101-V154 HydrophobicContact CD1-CB 4.29Å; L101-V154 HydrophobicContact CD1-CG2 3.83Å
102L85Confident81.4Confident40 Ų4051 Ų5121%0.20929%0.29CS..  trans-63.7151.2165.3-72.4172.6000110.5A75 A76 I78 A106 L107 V110A75-L102 WeakPolarHBondContact O-CD1 3.49Å; A76-L102 PolarHBondContact O-N 2.92Å; I78-L102 HydrophobicContact CD1-CD2 3.83Å; I78-L102 HydrophobicContact CD1-CG 4.26Å; I78-L102 HydrophobicContact CG1-CD2 3.79Å; I78-L102 HydrophobicContact CG1-CG 3.9Å; L102-A106 HydrophobicContact CB-CB 4.18Å; L102-A106 HydrophobicContact CD2-CB 4.17Å; L102-L107 HydrophobicContact CB-CB 4.35Å; L102-V110 HydrophobicContact CD1-CG2 3.9Å
103T84.2Confident82.5Confident67 Ų6749.1 Ų49.141%0.41128%0.276SS..  trans-60.1153.4168.165.40000109.7A105 A106 L107T103-A105 VanDerWaalsContact C-N 3.26Å; T103-A105 PolarHBondContact O-N 3.3Å; T103-A106 PolarHBondContact O-N 3.32Å; T103-A106 VanDerWaalsContact O-N 3.08Å; T103-A106 VanDerWaalsContact OG1-CB 3.25Å; T103-A106 WeakPolarHBondContact OG1-CB 3.05Å; T103-A106 PolarHBondContact OG1-N 3.09Å; T103-L107 PolarHBondContact O-N 3.34Å
104A79.1Confident82.9Confident30 Ų3043 Ų4325%0.24826%0.255CS..Hα-helixtrans-55-42.5-177.900000112.5L107 Q108A104-L107 PolarHBondContact O-N 2.72Å; A104-Q108 PolarHBondContact O-N 3.41Å
105A79.4Confident82.5Confident60 Ų6044.1 Ų44.150%0.49626%0.262SS..Hα-helixtrans-66.1-40.9177.500000112.4T103 Q108 N109T103-A105 VanDerWaalsContact C-N 3.26Å; T103-A105 PolarHBondContact O-N 3.3Å; A105-Q108 PolarHBondContact O-N 3.4Å; A105-N109 VanDerWaalsContact O-CG 3.3Å; A105-N109 PolarHBondContact O-N 2.93Å; A105-N109 VanDerWaalsContact O-N 3.09Å; A105-N109 PolarHBondContact O-ND2 2.87Å
106A82.4Confident81.8Confident30 Ų3045.6 Ų45.625%0.24827%0.268CS..Hα-helixtrans-65.8-40.3176.400000111.5L102 T103 N109 V110L102-A106 HydrophobicContact CB-CB 4.18Å; L102-A106 HydrophobicContact CD2-CB 4.17Å; T103-A106 PolarHBondContact O-N 3.32Å; T103-A106 VanDerWaalsContact O-N 3.08Å; T103-A106 VanDerWaalsContact OG1-CB 3.25Å; T103-A106 WeakPolarHBondContact OG1-CB 3.05Å; T103-A106 PolarHBondContact OG1-N 3.09Å; A106-N109 PolarHBondContact O-N 3.16Å; A106-V110 VanDerWaalsContact O-CG2 3.29Å; A106-V110 WeakPolarHBondContact O-CG2 3.14Å; A106-V110 PolarHBondContact O-N 3.42Å
107L82.7Confident80.9Confident5 Ų547.7 Ų47.73%0.02629%0.286CS..Hα-helixtrans-61.5-45.7175.6-179.856.5000111.7R3 A76 L102 T103 A104 N109 V110 L111 W124R3-L107 HydrophobicContact CB-CD2 4.27Å; R3-L107 HydrophobicContact CG-CD2 4.19Å; A76-L107 HydrophobicContact CB-CD1 3.62Å; A76-L107 HydrophobicContact CB-CD2 3.78Å; A76-L107 HydrophobicContact CB-CG 4.31Å; L102-L107 HydrophobicContact CB-CB 4.35Å; T103-L107 PolarHBondContact O-N 3.34Å; A104-L107 PolarHBondContact O-N 2.72Å; L107-N109 VanDerWaalsContact C-N 3.32Å; L107-N109 PolarHBondContact O-N 3.2Å; L107-V110 PolarHBondContact O-N 2.94Å; L107-V110 VanDerWaalsContact O-N 3.16Å; L107-L111 HydrophobicContact CD1-CD1 4.09Å; L107-L111 HydrophobicContact CD1-CD2 4.4Å; L107-L111 HydrophobicContact CD1-CG 3.99Å; L107-L111 HydrophobicContact CG-CD1 4.04Å; L107-L111 HydrophobicContact CG-CG 4.37Å; L107-L111 WeakPolarHBondContact O-CG 3.43Å; L107-L111 PolarHBondContact O-N 3.22Å; L107-W124 HydrophobicContact CD2-CE3 4.13Å; L107-W124 HydrophobicContact CD2-CZ3 3.55Å; L107-W124 HydrophobicContact CG-CZ3 4.44Å
108Q79.4Confident79.9Confident64 Ų6449 Ų4930%0.29929%0.294SS..Hα-helixtrans-59.1-44177.2-171.7178.85.300111.6A104 A105 V110 L111 A112 F140A104-Q108 PolarHBondContact O-N 3.41Å; A105-Q108 PolarHBondContact O-N 3.4Å; Q108-V110 VanDerWaalsContact C-N 3.34Å; Q108-V110 PolarHBondContact O-N 3.47Å; Q108-L111 PolarHBondContact O-N 2.89Å; Q108-A112 VanDerWaalsContact O-CB 3.31Å; Q108-A112 WeakPolarHBondContact O-CB 3.33Å; Q108-A112 PolarHBondContact O-N 3.02Å; Q108-F140 HydrophobicContact CB-CZ 4.45Å; Q108-F140 HydrophobicContact CG-CE2 4.27Å; Q108-F140 HydrophobicContact CG-CZ 4.46Å
109N80.9Confident78.9Confident91 Ų9153.6 Ų53.649%0.48732%0.315SS..Hα-helixtrans-63.5-39.4176.2-70.7-24.4000112.5A105 A106 L107 S113A105-N109 VanDerWaalsContact O-CG 3.3Å; A105-N109 PolarHBondContact O-N 2.93Å; A105-N109 VanDerWaalsContact O-N 3.09Å; A105-N109 PolarHBondContact O-ND2 2.87Å; A106-N109 PolarHBondContact O-N 3.16Å; L107-N109 VanDerWaalsContact C-N 3.32Å; L107-N109 PolarHBondContact O-N 3.2Å; N109-S113 WeakPolarHBondContact O-CB 3.4Å; N109-S113 PolarHBondContact O-N 3.4Å; N109-S113 PolarHBondContact O-OG 2.85Å
110V81.4Confident78Confident47 Ų4754.4 Ų54.429%0.28532%0.318SS..Hα-helixtrans-65.3-48.2177.1169.30000110.4A75 L102 A106 L107 Q108 A112 S113 L114A75-V110 HydrophobicContact CB-CG1 4Å; L102-V110 HydrophobicContact CD1-CG2 3.9Å; A106-V110 VanDerWaalsContact O-CG2 3.29Å; A106-V110 WeakPolarHBondContact O-CG2 3.14Å; A106-V110 PolarHBondContact O-N 3.42Å; L107-V110 PolarHBondContact O-N 2.94Å; L107-V110 VanDerWaalsContact O-N 3.16Å; Q108-V110 VanDerWaalsContact C-N 3.34Å; Q108-V110 PolarHBondContact O-N 3.47Å; V110-A112 PolarHBondContact O-N 3.43Å; V110-S113 PolarHBondContact O-N 2.78Å; V110-S113 PolarHBondContact O-OG 2.77Å; V110-L114 PolarHBondContact O-N 2.9Å
111L80.3Confident77.2Confident4 Ų447.7 Ų47.72%0.02129%0.293CS..Hα-helixtrans-62.4-42.3179.5-65.8175.5000111.8P73 A75 L107 Q108 S113 L114 I121 W124P73-L111 HydrophobicContact CB-CD2 4.25Å; A75-L111 HydrophobicContact CB-CD2 4.4Å; L107-L111 HydrophobicContact CD1-CD1 4.09Å; L107-L111 HydrophobicContact CD1-CD2 4.4Å; L107-L111 HydrophobicContact CD1-CG 3.99Å; L107-L111 HydrophobicContact CG-CD1 4.04Å; L107-L111 HydrophobicContact CG-CG 4.37Å; L107-L111 WeakPolarHBondContact O-CG 3.43Å; L107-L111 PolarHBondContact O-N 3.22Å; Q108-L111 PolarHBondContact O-N 2.89Å; L111-S113 PolarHBondContact O-N 2.83Å; L111-L114 HydrophobicContact CD2-CD1 3.84Å; L111-L114 PolarHBondContact O-N 3.01Å; L111-I121 HydrophobicContact CB-CG2 4.34Å; L111-I121 HydrophobicContact CD2-CD1 4.1Å; L111-W124 HydrophobicContact CD1-CB 3.58Å; L111-W124 HydrophobicContact CD1-CD2 3.84Å; L111-W124 HydrophobicContact CD1-CE3 3.58Å; L111-W124 HydrophobicContact CD1-CG 3.9Å
112A78.9Confident76Confident75 Ų7553.3 Ų53.362%0.6232%0.319SS*.Hα-helixtrans-64.8-19.217500000113.6Q108 V110Q108-A112 VanDerWaalsContact O-CB 3.31Å; Q108-A112 WeakPolarHBondContact O-CB 3.33Å; Q108-A112 PolarHBondContact O-N 3.02Å; V110-A112 PolarHBondContact O-N 3.43Å
113S76.2Confident75Confident77 Ų7756.5 Ų56.554%0.53833%0.333SS..THydrogen-bonded Turntrans-96.8-0.9-179.874.60000114.4N109 V110 L111N109-S113 WeakPolarHBondContact O-CB 3.4Å; N109-S113 PolarHBondContact O-N 3.4Å; N109-S113 PolarHBondContact O-OG 2.85Å; V110-S113 PolarHBondContact O-N 2.78Å; V110-S113 PolarHBondContact O-OG 2.77Å; L111-S113 PolarHBondContact O-N 2.83Å
114L74.7Confident74.1Confident21 Ų2153.8 Ų53.811%0.1132%0.315CS..  trans-67.2136.1-177.7-69.7172000111.2V110 L111 N116 I121 W179V110-L114 PolarHBondContact O-N 2.9Å; L111-L114 HydrophobicContact CD2-CD1 3.84Å; L111-L114 PolarHBondContact O-N 3.01Å; L114-N116 VanDerWaalsContact C-N 3.31Å; L114-N116 PolarHBondContact O-N 3.03Å; L114-I121 HydrophobicContact CD1-CD1 3.54Å; L114-W179 HydrophobicContact CD2-CB 4.33Å; L114-W179 HydrophobicContact CD2-CG 4.4Å; L114-W179 WeakPolarHBondContact CD2-O 3.32Å
115P68.4Low73Confident58 Ų5854.7 Ų54.738%0.37732%0.319SS..SBendtrans-66.3-32.9-177.124.4-32000112.9
116N69.2Low71.6Confident59 Ų5957.8 Ų57.832%0.31632%0.323SS..SBendtrans-136.795.5177.1-67.9-41.7000107.8L114 P118 L181L114-N116 VanDerWaalsContact C-N 3.31Å; L114-N116 PolarHBondContact O-N 3.03Å; N116-P118 WeakPolarHBondContact O-CD 3.34Å; N116-L181 PolarHBondContact ND2-O 2.98Å
117P68.6Low69.7Low83 Ų8358.4 Ų58.454%0.53933%0.333SS..  trans-72.4123.9178.327.6-31.8000110.5I121P117-I121 HydrophobicContact CB-CB 4.38Å; P117-I121 HydrophobicContact CB-CD1 4.2Å; P117-I121 HydrophobicContact CB-CG2 4.32Å
118P69.6Low67.4Low26 Ų2664.2 Ų64.217%0.16937%0.368CS..  trans-52.2147.8166.4-17.99.1000112.4N116 W120 I121N116-P118 WeakPolarHBondContact O-CD 3.34Å; P118-W120 HydrophobicContact CB-CD2 4.1Å; P118-W120 HydrophobicContact CB-CG 4.21Å; P118-W120 HydrophobicContact CB-CZ2 4Å; P118-W120 VanDerWaalsContact CB-NE1 3.34Å; P118-W120 HydrophobicContact CG-CH2 4.49Å; P118-W120 HydrophobicContact CG-CZ2 3.76Å; P118-W120 PolarHBondContact O-N 2.79Å; P118-W120 VanDerWaalsContact O-N 3.13Å; P118-I121 HydrophobicContact CB-CD1 4.33Å; P118-I121 HydrophobicContact CB-CG1 4.23Å; P118-I121 HydrophobicContact CG-CD1 3.71Å; P118-I121 HydrophobicContact CG-CG1 4.1Å; P118-I121 VanDerWaalsContact O-CB 3.26Å; P118-I121 WeakPolarHBondContact O-CB 3.47Å; P118-I121 PolarHBondContact O-N 2.82Å
119Q68.4Low65.1Low134 Ų13470.2 Ų70.263%0.62640%0.396SS*.G310 helixtrans-54.5-36.5-178-69.5-176.2-14.300113.2Y14 I121 E122Y14-Q119 VanDerWaalsContact CE1-OE1 3.23Å; Q119-I121 PolarHBondContact O-N 2.94Å; Q119-I121 VanDerWaalsContact O-N 3.13Å; Q119-E122 WeakPolarHBondContact O-CG 3.24Å; Q119-E122 PolarHBondContact O-N 3.44Å
120W72Confident62.9Low17 Ų1769.3 Ų69.36%0.06441%0.409CS..G310 helixtrans-68.9-9.2178.757.8-104.8000114.7E25 H55 R56 P73 P118 E122E25-W120 PolarHBondContact OE2-NE1 3.17Å; H55-W120 HydrophobicContact CB-CZ2 3.76Å; R56-W120 HydrophobicContact CB-CH2 4.29Å; R56-W120 HydrophobicContact CB-CZ2 4.29Å; R56-W120 HydrophobicContact CG-CH2 4.48Å; R56-W120 HydrophobicContact CG-CZ2 4.06Å; P73-W120 HydrophobicContact CB-CH2 4.2Å; P73-W120 HydrophobicContact CB-CZ3 4.46Å; P73-W120 HydrophobicContact CG-CH2 4.24Å; P73-W120 HydrophobicContact CG-CZ3 4.02Å; P118-W120 HydrophobicContact CB-CD2 4.1Å; P118-W120 HydrophobicContact CB-CG 4.21Å; P118-W120 HydrophobicContact CB-CZ2 4Å; P118-W120 VanDerWaalsContact CB-NE1 3.34Å; P118-W120 HydrophobicContact CG-CH2 4.49Å; P118-W120 HydrophobicContact CG-CZ2 3.76Å; P118-W120 PolarHBondContact O-N 2.79Å; P118-W120 VanDerWaalsContact O-N 3.13Å; W120-E122 VanDerWaalsContact C-N 3.27Å; W120-E122 PolarHBondContact O-N 3.4Å
121I71.7Confident60.5Low5 Ų573.5 Ų73.53%0.02644%0.44CS..G310 helixtrans-72.5-18.4177.9-69.5-175.9000112.1L111 L114 P117 P118 Q119 H123 W124 C125L111-I121 HydrophobicContact CB-CG2 4.34Å; L111-I121 HydrophobicContact CD2-CD1 4.1Å; L114-I121 HydrophobicContact CD1-CD1 3.54Å; P117-I121 HydrophobicContact CB-CB 4.38Å; P117-I121 HydrophobicContact CB-CD1 4.2Å; P117-I121 HydrophobicContact CB-CG2 4.32Å; P118-I121 HydrophobicContact CB-CD1 4.33Å; P118-I121 HydrophobicContact CB-CG1 4.23Å; P118-I121 HydrophobicContact CG-CD1 3.71Å; P118-I121 HydrophobicContact CG-CG1 4.1Å; P118-I121 VanDerWaalsContact O-CB 3.26Å; P118-I121 WeakPolarHBondContact O-CB 3.47Å; P118-I121 PolarHBondContact O-N 2.82Å; Q119-I121 PolarHBondContact O-N 2.94Å; Q119-I121 VanDerWaalsContact O-N 3.13Å; I121-H123 PolarHBondContact O-N 2.74Å; I121-H123 VanDerWaalsContact O-N 3.11Å; I121-W124 HydrophobicContact CG2-CB 4.46Å; I121-W124 WeakPolarHBondContact O-CA 3.38Å; I121-W124 VanDerWaalsContact O-CB 3.31Å; I121-W124 WeakPolarHBondContact O-CB 3.38Å; I121-W124 PolarHBondContact O-N 3.07Å; I121-C125 PolarHBondContact O-N 3.17Å
122E64.2Low58.2Low126 Ų12676 Ų7659%0.58947%0.467SS*.Hα-helixtrans-51.2-42-178.7-69.7-179.9177.600112Q119 W120 W124 C125 E126Q119-E122 WeakPolarHBondContact O-CG 3.24Å; Q119-E122 PolarHBondContact O-N 3.44Å; W120-E122 VanDerWaalsContact C-N 3.27Å; W120-E122 PolarHBondContact O-N 3.4Å; E122-W124 PolarHBondContact O-N 2.94Å; E122-C125 PolarHBondContact O-N 2.91Å; E122-C125 VanDerWaalsContact O-N 3.11Å; E122-E126 PolarHBondContact O-N 2.78Å; E122-E126 VanDerWaalsContact O-N 3.13Å
123H64.2Low56.1Low108 Ų10878 Ų7850%0.548%0.476SS..Hα-helixtrans-66.4-8.6176.3-56.8-48.1000115.5I121I121-H123 PolarHBondContact O-N 2.74Å; I121-H123 VanDerWaalsContact O-N 3.11Å
124W64.4Low53.9Low10 Ų1078.1 Ų78.14%0.03849%0.489CS..Hα-helixtrans-105.3-13177.3-62.971.9000113.1R3 R5 P73 L107 L111 I121 E122 F140R3-W124 WeakPolarHBondContact O-CH2 3.29Å; R5-W124 HydrophobicContact CB-CH2 4.16Å; R5-W124 HydrophobicContact CB-CZ2 3.52Å; R5-W124 HydrophobicContact CG-CD2 3.88Å; R5-W124 VanDerWaalsContact CG-CE2 3.41Å; R5-W124 HydrophobicContact CG-CE3 4.13Å; R5-W124 HydrophobicContact CG-CH2 3.53Å; R5-W124 HydrophobicContact CG-CZ2 3.24Å; R5-W124 HydrophobicContact CG-CZ3 3.96Å; P73-W124 HydrophobicContact CG-CD2 4.15Å; P73-W124 HydrophobicContact CG-CE3 4.11Å; P73-W124 HydrophobicContact CG-CH2 3.5Å; P73-W124 VanDerWaalsContact CG-CH2 3.5Å; P73-W124 HydrophobicContact CG-CZ2 3.52Å; P73-W124 HydrophobicContact CG-CZ3 3.81Å; L107-W124 HydrophobicContact CD2-CE3 4.13Å; L107-W124 HydrophobicContact CD2-CZ3 3.55Å; L107-W124 HydrophobicContact CG-CZ3 4.44Å; L111-W124 HydrophobicContact CD1-CB 3.58Å; L111-W124 HydrophobicContact CD1-CD2 3.84Å; L111-W124 HydrophobicContact CD1-CE3 3.58Å; L111-W124 HydrophobicContact CD1-CG 3.9Å; I121-W124 HydrophobicContact CG2-CB 4.46Å; I121-W124 WeakPolarHBondContact O-CA 3.38Å; I121-W124 VanDerWaalsContact O-CB 3.31Å; I121-W124 WeakPolarHBondContact O-CB 3.38Å; I121-W124 PolarHBondContact O-N 3.07Å; E122-W124 PolarHBondContact O-N 2.94Å; W124-F140 VanDerWaalsContact O-CE2 3.31Å; W124-F140 WeakPolarHBondContact O-CE2 3.03Å
125C56.6Low52.1Low49 Ų4983.1 Ų83.133%0.33152%0.515SS..Hα-helixtrans-116.3-16.6-174.8-71.90000113.7I121 E122 G127I121-C125 PolarHBondContact O-N 3.17Å; E122-C125 PolarHBondContact O-N 2.91Å; E122-C125 VanDerWaalsContact O-N 3.11Å; C125-G127 PolarHBondContact O-N 3.37Å
126E50.4Low50.4Low125 Ų12586.5 Ų86.558%0.58453%0.53SS*.  trans-64.9104.8177.1-80.9-173.9160.400112.4E122E122-E126 PolarHBondContact O-N 2.78Å; E122-E126 VanDerWaalsContact O-N 3.13Å
127G42.1Very low49Very low43 Ų4389.3 Ų89.344%0.44355%0.554SS.*  trans172.263.3175.100000108.7C125C125-G127 PolarHBondContact O-N 3.37Å
128V34.4Very low47.7Very low126 Ų12690.9 Ų90.976%0.76456%0.557SS**SBendtrans178.2126.5159.8154.90000108
129E30.5Very low46.5Very low190 Ų19093.1 Ų93.189%0.88857%0.57SS**  trans83.261.6163.3-69.6168.3-146.100119.8
130G33.8Very low45.4Very low73 Ų7389.6 Ų89.675%0.75355%0.553SS**  trans-110.1112.1148.900000110.1G132G130-G132 PolarHBondContact O-N 3.35Å
131S31.3Very low44.6Very low134 Ų13491.7 Ų91.794%0.93757%0.57SS**  trans-64.4100.2173.260.20000110.4
132G33.5Very low44Very low58 Ų5895.4 Ų95.460%0.59860%0.602SS**  trans176114.2176.600000112.2G130 G134G130-G132 PolarHBondContact O-N 3.35Å; G132-G134 PolarHBondContact O-N 2.95Å
133S33.6Very low44.2Very low115 Ų11591.4 Ų91.480%0.80459%0.586SS**  trans12.5101.6163.664.60000118.8I135S133-I135 PolarHBondContact O-N 3.21Å
134G30.3Very low44.4Very low80 Ų8087 Ų8783%0.82557%0.569SS**SBendtrans34.963.8132.300000118.9G132G132-G134 PolarHBondContact O-N 2.95Å
135I37.7Very low44.9Very low126 Ų12687.8 Ų87.865%0.64657%0.574SS**  trans-166.4119.5146.7-75.6125000100S133S133-I135 PolarHBondContact O-N 3.21Å
136D32.6Very low45.8Very low130 Ų13087.9 Ų87.970%0.69557%0.573SS**  trans16676.3158.2-79.6-16.3000111.5
137S38.7Very low46.6Very low118 Ų11886.7 Ų86.783%0.82558%0.579SS**SBendtrans-1109.2154.7172.50000110.4
138I41.9Very low48.1Very low115 Ų11592.3 Ų92.359%0.5959%0.588SS**  trans-104.2-16.6-159.3-61.6175000112.6F140 S141I138-F140 PolarHBondContact O-N 3.11Å; I138-S141 PolarHBondContact O-N 3.48Å
139T43.8Very low49.9Very low74 Ų7486.7 Ų86.745%0.45455%0.554SS.*Hα-helixtrans-69.1-35.2-171.222.30000114.4S141 A142T139-S141 PolarHBondContact O-N 3.24Å; T139-S141 VanDerWaalsContact O-N 3.09Å; T139-A142 PolarHBondContact O-N 2.87Å
140F45.6Very low52.1Low60 Ų6085.8 Ų85.826%0.26355%0.547SS..Hα-helixtrans-66-18.3-179.7-152.8-98.6000114R5 Q108 W124 I138R5-F140 PolarHBondContact NH2-O 3Å; Q108-F140 HydrophobicContact CB-CZ 4.45Å; Q108-F140 HydrophobicContact CG-CE2 4.27Å; Q108-F140 HydrophobicContact CG-CZ 4.46Å; W124-F140 VanDerWaalsContact O-CE2 3.31Å; W124-F140 WeakPolarHBondContact O-CE2 3.03Å; I138-F140 PolarHBondContact O-N 3.11Å
141S54.4Low54.3Low60 Ų6086 Ų8642%0.4253%0.529SS..Hα-helixtrans-89.7-26.4-176.7-169.50000113.2I138 T139 T143 A144I138-S141 PolarHBondContact O-N 3.48Å; T139-S141 PolarHBondContact O-N 3.24Å; T139-S141 VanDerWaalsContact O-N 3.09Å; S141-T143 PolarHBondContact O-N 3.23Å; S141-A144 WeakPolarHBondContact O-CB 3.22Å; S141-A144 PolarHBondContact O-N 2.85Å
142A59.2Low56.8Low84 Ų8483.2 Ų83.269%0.69450%0.503SS*.Hα-helixtrans-66-34-164.200000114.2T139T139-A142 PolarHBondContact O-N 2.87Å
143T68.7Low59.3Low42 Ų4282.5 Ų82.526%0.25848%0.484SS..THydrogen-bonded Turntrans-99.2-2.5-179.851.20000112.9R5 W6 S141R5-T143 CarbonylContact C-O 3.58Å; R5-T143 VanDerWaalsContact CA-O 3.3Å; R5-T143 WeakPolarHBondContact CA-O 2.95Å; R5-T143 WeakPolarHBondContact CD-O 3.38Å; R5-T143 WeakPolarHBondContact CD-OG1 3.46Å; W6-T143 PolarHBondContact N-O 2.97Å; S141-T143 PolarHBondContact O-N 3.23Å
144A69.9Low61.9Low16 Ų1677 Ų7713%0.13245%0.446CS..BIsolated β-bridgetrans-67.3131.3178.300000111.6R5 S141 V146R5-A144 VanDerWaalsContact NH1-CA 3.31Å; S141-A144 WeakPolarHBondContact O-CB 3.22Å; S141-A144 PolarHBondContact O-N 2.85Å; A144-V146 WeakPolarHBondContact CB-O 3.41Å; A144-V146 PolarHBondContact O-N 2.96Å
145V74.3Confident64.8Low25 Ų2574.6 Ų74.615%0.15241%0.413CS..SBendtrans-63.4-34.5174.9177.20000111.4F4 W6 F45 I70F4-V145 HydrophobicContact CB-CB 4.17Å; F4-V145 HydrophobicContact CB-CG2 3.74Å; F4-V145 PolarHBondContact O-N 3.4Å; W6-V145 HydrophobicContact CD2-CG2 4.5Å; W6-V145 HydrophobicContact CG-CG2 4.43Å; F45-V145 HydrophobicContact CE2-CG1 3.37Å; F45-V145 HydrophobicContact CZ-CG1 3.43Å; F45-V145 VanDerWaalsContact CZ-CG1 3.43Å; I70-V145 HydrophobicContact CB-CG2 4.42Å; I70-V145 HydrophobicContact CD1-CG1 4.29Å; I70-V145 HydrophobicContact CD1-CG2 3.93Å; I70-V145 HydrophobicContact CG1-CG2 4Å; I70-V145 HydrophobicContact CG2-CG2 3.6Å
146V74.9Confident67.2Low52 Ų5268.7 Ų68.732%0.31538%0.382SS..SBendtrans-136.8137.7173.8-174.40000107.8M1 D2 A144 Y148M1-V146 HydrophobicContact CB-CB 4.41Å; M1-V146 HydrophobicContact CB-CG2 3.71Å; D2-V146 WeakPolarHBondContact CA-O 3.47Å; D2-V146 HydrophobicContact CB-CB 4.39Å; D2-V146 WeakPolarHBondContact CB-O 3.29Å; A144-V146 WeakPolarHBondContact CB-O 3.41Å; A144-V146 PolarHBondContact O-N 2.96Å; V146-Y148 VanDerWaalsContact C-N 3.32Å; V146-Y148 WeakPolarHBondContact CG1-O 3.34Å; V146-Y148 PolarHBondContact O-N 3.27Å
147S67.6Low69.8Low100 Ų10062.5 Ų62.570%0.69935%0.349SS*.SBendtrans-68.9-30.1-178.5-43.50000113.2
148Y73.6Confident72.1Confident161 Ų16157.1 Ų57.163%0.63131%0.311SS*.  trans-156.8130.4178.5177.6-104.7000110.4V146 K150V146-Y148 VanDerWaalsContact C-N 3.32Å; V146-Y148 WeakPolarHBondContact CG1-O 3.34Å; V146-Y148 PolarHBondContact O-N 3.27Å; Y148-K150 HydrophobicContact CD1-CG 4.39Å; Y148-K150 HydrophobicContact CE1-CG 3.59Å
149S71.4Confident73.9Confident8 Ų853.6 Ų53.66%0.05630%0.295CS..  trans-116.4134167.2-169.90000110D2 D38 E151D2-S149 VanDerWaalsContact CG-N 3.26Å; D2-S149 WeakPolarHBondContact OD1-CB 3.14Å; D2-S149 PolarHBondContact OD2-N 2.91Å; D2-S149 VanDerWaalsContact OD2-N 3.15Å; D38-S149 PolarHBondContact OD1-OG 3.2Å; D38-S149 WeakPolarHBondContact OD2-CB 3.2Å; D38-S149 PolarHBondContact OD2-OG 2.9Å; S149-E151 PolarHBondContact O-N 3.47Å; S149-E151 PolarHBondContact OG-N 3.42Å
150K76.8Confident75.4Confident171 Ų17156.5 Ų56.574%0.74331%0.306SS*.SBendtrans-71.7-17.8175.2-71.5-176.5179.4-176.30112.7Y148Y148-K150 HydrophobicContact CD1-CG 4.39Å; Y148-K150 HydrophobicContact CE1-CG 3.59Å
151E79.9Confident76.8Confident78 Ų7858.6 Ų58.636%0.36433%0.334SS..  trans-107.8131.2-169.9-61.8-66153.600110.7S149 H153S149-E151 PolarHBondContact O-N 3.47Å; S149-E151 PolarHBondContact OG-N 3.42Å; E151-H153 PolarHBondContact O-N 3.11Å; E151-H153 IonicContact OE2-CE1 3.84Å; E151-H153 PolarHBondContact OE2-CE1 2.93Å; E151-H153 VanDerWaalsContact OE2-CE1 3.3Å; E151-H153 IonicContact OE2-ND1 2.82Å
152D84.6Confident78Confident74 Ų7456.5 Ų56.540%0.39632%0.321SS..SBendtrans-8620.2177.7-63.5-32.6000112.5L101L101-D152 PolarHBondContact N-O 3.35Å
153H86.9Confident79.1Confident44 Ų4453.6 Ų53.620%0.20429%0.294CS..EExtended strand (participates in β ladder)trans-142.4145.9179.572.4-75.3000112.6G39 I98 L99 E151G39-H153 VanDerWaalsContact CA-NE2 3.35Å; G39-H153 WeakPolarHBondContact CA-NE2 3.25Å; G39-H153 VanDerWaalsContact CA-O 3.32Å; G39-H153 WeakPolarHBondContact CA-O 3.49Å; G39-H153 PolarHBondContact N-O 3.3Å; I98-H153 HydrophobicContact CG2-CB 4.11Å; L99-H153 CarbonylContact O-C 3.48Å; L99-H153 WeakPolarHBondContact O-CA 3.29Å; L99-H153 WeakPolarHBondContact O-CB 3.39Å; E151-H153 PolarHBondContact O-N 3.11Å; E151-H153 IonicContact OE2-CE1 3.84Å; E151-H153 PolarHBondContact OE2-CE1 2.93Å; E151-H153 VanDerWaalsContact OE2-CE1 3.3Å; E151-H153 IonicContact OE2-ND1 2.82Å
154V88.3Confident80Confident0 Ų056.8 Ų56.80%031%0.305CS..EExtended strand (participates in β ladder)trans-124.2140.5175.9167.90000108.2M1 F4 Y37 L99 L101M1-V154 HydrophobicContact CG-CG2 4.08Å; M1-V154 HydrophobicContact SD-CG1 3.93Å; M1-V154 HydrophobicContact SD-CG2 4Å; F4-V154 HydrophobicContact CE2-CB 4.22Å; F4-V154 HydrophobicContact CE2-CG1 3.85Å; F4-V154 HydrophobicContact CE2-CG2 3.95Å; F4-V154 HydrophobicContact CZ-CG1 4.04Å; Y37-V154 WeakPolarHBondContact O-CA 3.21Å; Y37-V154 VanDerWaalsContact O-CG1 3.31Å; Y37-V154 WeakPolarHBondContact O-CG1 3.31Å; L99-V154 PolarHBondContact N-O 3.01Å; L99-V154 PolarHBondContact O-N 2.8Å; L101-V154 HydrophobicContact CD1-CB 4.29Å; L101-V154 HydrophobicContact CD1-CG2 3.83Å
155K89.3Confident80.8Confident29 Ų2960.5 Ų60.513%0.12632%0.32CS..EExtended strand (participates in β ladder)trans-107.3136.3176.9-39.4-174.4172.8-167.90110.9L36 Y37 E83 K96 L97 I98L36-K155 CarbonylContact C-O 3.59Å; L36-K155 WeakPolarHBondContact CA-O 3.26Å; Y37-K155 HydrophobicContact CD2-CB 4.1Å; Y37-K155 WeakPolarHBondContact CD2-O 3.19Å; Y37-K155 HydrophobicContact CG-CB 4.22Å; Y37-K155 PolarHBondContact N-O 3.07Å; Y37-K155 PolarHBondContact O-N 3.15Å; E83-K155 IonicContact OE2-NZ 2.83Å; E83-K155 PolarHBondContact OE2-NZ 2.98Å; K96-K155 HydrophobicContact CB-CB 4.4Å; K96-K155 HydrophobicContact CD-CD 4.13Å; L97-K155 CarbonylContact O-C 3.58Å; L97-K155 VanDerWaalsContact O-CA 3.25Å; L97-K155 WeakPolarHBondContact O-CA 3.31Å; I98-K155 HydrophobicContact CG1-CD 4.08Å; I98-K155 HydrophobicContact CG1-CG 4.09Å
156L89.1Confident81.6Confident1 Ų159.3 Ų59.31%0.00531%0.313CS..EExtended strand (participates in β ladder)trans-100.4109.8169.5-52.8-180000107.9I34 R35 L36 L50 K96 L97 L99 F158 F166I34-L156 HydrophobicContact CG2-CB 4.37Å; R35-L156 CarbonylContact O-C 3.22Å; R35-L156 WeakPolarHBondContact O-CA 3.39Å; L36-L156 HydrophobicContact CD2-CD2 3.18Å; L50-L156 HydrophobicContact CD2-CD1 3.76Å; L50-L156 HydrophobicContact CD2-CD2 4.45Å; K96-L156 CarbonylContact C-O 3.59Å; K96-L156 VanDerWaalsContact CA-O 3.26Å; K96-L156 WeakPolarHBondContact CA-O 3.49Å; L97-L156 HydrophobicContact CB-CB 4.28Å; L97-L156 PolarHBondContact N-O 3.49Å; L97-L156 PolarHBondContact O-N 2.85Å; L99-L156 HydrophobicContact CD1-CD1 3.84Å; L99-L156 HydrophobicContact CD1-CD2 4.38Å; L99-L156 HydrophobicContact CD1-CG 4.01Å; L99-L156 HydrophobicContact CG-CD1 4.34Å; L99-L156 HydrophobicContact CG-CG 4.35Å; L156-F158 HydrophobicContact CB-CE2 3.74Å; L156-F158 HydrophobicContact CB-CZ 4.36Å; L156-F158 WeakPolarHBondContact O-CD2 2.94Å; L156-F166 HydrophobicContact CD1-CE1 3.86Å; L156-F166 HydrophobicContact CD1-CZ 4.42Å
157G87.4Confident82.2Confident0 Ų058.4 Ų58.40%031%0.306CS..EExtended strand (participates in β ladder)trans-89126.317600000111.5R35 P159R35-G157 PolarHBondContact N-O 2.92Å; R35-G157 PolarHBondContact O-N 3.43Å; G157-P159 WeakPolarHBondContact O-CD 3.16Å
158F86.5Confident83.3Confident5 Ų559 Ų592%0.02230%0.298CS..  trans-105.7103.4178.5-68-100.3000109I34 P95 L97 L156 M160 H163 F166I34-F158 HydrophobicContact CD1-CD1 4.06Å; I34-F158 HydrophobicContact CD1-CE1 3.52Å; I34-F158 HydrophobicContact CD1-CZ 4.07Å; I34-F158 HydrophobicContact CG1-CD1 4Å; I34-F158 HydrophobicContact CG1-CE1 3.96Å; P95-F158 WeakPolarHBondContact CD-O 2.99Å; P95-F158 HydrophobicContact CG-CB 4.34Å; P95-F158 PolarHBondContact O-N 3.01Å; L97-F158 HydrophobicContact CB-CE2 4.18Å; L97-F158 HydrophobicContact CD1-CD2 4.48Å; L97-F158 HydrophobicContact CD1-CE2 3.49Å; L97-F158 VanDerWaalsContact CD1-CE2 3.49Å; L97-F158 HydrophobicContact CD1-CZ 3.78Å; L97-F158 HydrophobicContact CG-CD2 4.22Å; L97-F158 HydrophobicContact CG-CE2 3.57Å; L97-F158 HydrophobicContact CG-CZ 4.37Å; L156-F158 HydrophobicContact CB-CE2 3.74Å; L156-F158 HydrophobicContact CB-CZ 4.36Å; L156-F158 WeakPolarHBondContact O-CD2 2.94Å; F158-M160 VanDerWaalsContact C-N 3.26Å; F158-H163 HydrophobicContact CB-CB 3.99Å; F158-H163 HydrophobicContact CD1-CB 4.07Å; F158-H163 HydrophobicContact CD2-CB 3.7Å; F158-H163 HydrophobicContact CE2-CB 4.21Å; F158-H163 HydrophobicContact CG-CB 3.65Å; F158-F166 HydrophobicContact CE1-CB 3.91Å; F158-F166 HydrophobicContact CE1-CD1 4.45Å; F158-F166 HydrophobicContact CE1-CG 4.06Å; F158-F166 HydrophobicContact CZ-CB 3.96Å; F158-F166 AromaticContact CZ-CD1 3.75Å; F158-F166 HydrophobicContact CZ-CD1 3.75Å; F158-F166 HydrophobicContact CZ-CE1 4.43Å; F158-F166 AromaticContact CZ-CG 3.81Å; F158-F166 HydrophobicContact CZ-CG 3.81Å
159P79.1Confident84Confident41 Ų4152.2 Ų52.227%0.26627%0.274SS..SBendtrans-72.8-22.4176.128.6-33.1000112.8G33 T94 G157G33-P159 WeakPolarHBondContact O-CD 3.13Å; G33-P159 WeakPolarHBondContact O-CG 3.47Å; T94-P159 HydrophobicContact CG2-CB 4.42Å; G157-P159 WeakPolarHBondContact O-CD 3.16Å
160M76.1Confident84.8Confident136 Ų13651.9 Ų51.967%0.6727%0.271SS*.SBendtrans-109.5160.3176.1-63-62.1132.500110.6F158F158-M160 VanDerWaalsContact C-N 3.26Å
161A74.1Confident85.4Confident103 Ų10346.5 Ų46.585%0.85125%0.251SS*.SBendtrans-59.1146.3170.800000110.6
162G80.4Confident85.8Confident16 Ų1647.5 Ų47.517%0.16526%0.255CS..  trans135.6-4.9-177.400000114.9H164 E165 F166G162-H164 VanDerWaalsContact C-N 3.31Å; G162-H164 PolarHBondContact O-N 3.5Å; G162-E165 PolarHBondContact O-N 2.94Å; G162-F166 PolarHBondContact O-N 3.07Å
163H83.4Confident85.9Confident24 Ų2444.6 Ų44.611%0.11124%0.241CC..Hα-helixtrans-61.9-35.9177.666.9-82.7000112.9F158 L167F158-H163 HydrophobicContact CB-CB 3.99Å; F158-H163 HydrophobicContact CD1-CB 4.07Å; F158-H163 HydrophobicContact CD2-CB 3.7Å; F158-H163 HydrophobicContact CE2-CB 4.21Å; F158-H163 HydrophobicContact CG-CB 3.65Å; H163-L167 VanDerWaalsContact O-CB 3.23Å; H163-L167 WeakPolarHBondContact O-CB 3.22Å; H163-L167 PolarHBondContact O-N 3.08Å
164H85.7Confident85.9Confident109 Ų10943.9 Ų43.951%0.50524%0.238SC..Hα-helixtrans-66.7-43.6176-68-66.1000112.8G162 L167 Q168G162-H164 VanDerWaalsContact C-N 3.31Å; G162-H164 PolarHBondContact O-N 3.5Å; H164-L167 PolarHBondContact O-N 3.24Å; H164-Q168 WeakPolarHBondContact O-CB 3.28Å; H164-Q168 PolarHBondContact O-N 2.88Å
165E88.3Confident85.8Confident93 Ų9352.1 Ų52.144%0.43527%0.274SS..Hα-helixtrans-65.1-41.2178.1-171.9-168.9151.200111.3L29 K31 G162 Q168 S169L29-E165 WeakPolarHBondContact CD1-OE1 3.31Å; L29-E165 HydrophobicContact CD2-CG 4.48Å; K31-E165 WeakPolarHBondContact CE-OE2 3.35Å; K31-E165 IonicContact NZ-OE1 2.79Å; K31-E165 PolarHBondContact NZ-OE1 3.43Å; K31-E165 VanDerWaalsContact NZ-OE1 3.07Å; K31-E165 IonicContact NZ-OE2 3.88Å; K31-E165 PolarHBondContact NZ-OE2 2.67Å; G162-E165 PolarHBondContact O-N 2.94Å; E165-Q168 PolarHBondContact O-N 3.04Å; E165-S169 PolarHBondContact O-N 3.04Å; E165-S169 PolarHBondContact O-OG 2.63Å
166F89.4Confident85.4Confident0 Ų054.6 Ų54.60%029%0.291CS..Hα-helixtrans-63.8-44.9173.8-171.9-88000111.8L29 K31 L50 L52 L97 L156 F158 G162 Q168 S169 L170L29-F166 HydrophobicContact CD2-CB 4.1Å; L29-F166 HydrophobicContact CD2-CD2 3.88Å; L29-F166 HydrophobicContact CD2-CG 4.39Å; K31-F166 HydrophobicContact CG-CD2 4.19Å; L50-F166 HydrophobicContact CD2-CD2 4.38Å; L50-F166 HydrophobicContact CD2-CE1 3.92Å; L50-F166 HydrophobicContact CD2-CE2 3.53Å; L50-F166 HydrophobicContact CD2-CZ 3.26Å; L50-F166 HydrophobicContact CG-CE2 4.24Å; L50-F166 HydrophobicContact CG-CZ 4.21Å; L52-F166 HydrophobicContact CB-CE2 3.83Å; L52-F166 HydrophobicContact CB-CZ 4.18Å; L97-F166 HydrophobicContact CD1-CD1 3.78Å; L97-F166 HydrophobicContact CD1-CE1 4.5Å; L156-F166 HydrophobicContact CD1-CE1 3.86Å; L156-F166 HydrophobicContact CD1-CZ 4.42Å; F158-F166 HydrophobicContact CE1-CB 3.91Å; F158-F166 HydrophobicContact CE1-CD1 4.45Å; F158-F166 HydrophobicContact CE1-CG 4.06Å; F158-F166 HydrophobicContact CZ-CB 3.96Å; F158-F166 AromaticContact CZ-CD1 3.75Å; F158-F166 HydrophobicContact CZ-CD1 3.75Å; F158-F166 HydrophobicContact CZ-CE1 4.43Å; F158-F166 AromaticContact CZ-CG 3.81Å; F158-F166 HydrophobicContact CZ-CG 3.81Å; G162-F166 PolarHBondContact O-N 3.07Å; F166-Q168 PolarHBondContact O-N 3.33Å; F166-S169 PolarHBondContact O-N 3.15Å; F166-L170 HydrophobicContact CE1-CB 4.4Å; F166-L170 HydrophobicContact CE1-CD2 4.12Å; F166-L170 WeakPolarHBondContact O-CB 3.4Å; F166-L170 PolarHBondContact O-N 2.92Å
167L88.5Confident85.1Confident33 Ų3359.5 Ų59.517%0.17331%0.313CS..Hα-helixtrans-63.4-40.1176.9176.9139.9000112.3V80 V82 L97 H163 H164 L170 N171V80-L167 HydrophobicContact CG1-CD1 4.06Å; V82-L167 HydrophobicContact CG2-CD1 3.25Å; L97-L167 HydrophobicContact CD1-CB 4.1Å; L97-L167 HydrophobicContact CD2-CB 4.3Å; L97-L167 HydrophobicContact CD2-CD1 3.64Å; H163-L167 VanDerWaalsContact O-CB 3.23Å; H163-L167 WeakPolarHBondContact O-CB 3.22Å; H163-L167 PolarHBondContact O-N 3.08Å; H164-L167 PolarHBondContact O-N 3.24Å; L167-L170 PolarHBondContact O-N 2.99Å; L167-N171 VanDerWaalsContact CD2-ND2 3.29Å; L167-N171 WeakPolarHBondContact CD2-ND2 3.36Å; L167-N171 VanDerWaalsContact O-CB 3.31Å; L167-N171 WeakPolarHBondContact O-CB 3.47Å; L167-N171 VanDerWaalsContact O-CG 3.26Å; L167-N171 PolarHBondContact O-N 3.33Å; L167-N171 PolarHBondContact O-ND2 3.29Å
168Q89.9Confident84.5Confident113 Ų11361.9 Ų61.953%0.52833%0.325SS..Hα-helixtrans-61.4-51.9176.3-178.9178.8-12.400110.5H164 E165 F166 L170 N171 E172H164-Q168 WeakPolarHBondContact O-CB 3.28Å; H164-Q168 PolarHBondContact O-N 2.88Å; E165-Q168 PolarHBondContact O-N 3.04Å; F166-Q168 PolarHBondContact O-N 3.33Å; Q168-L170 VanDerWaalsContact C-N 3.33Å; Q168-L170 PolarHBondContact O-N 2.81Å; Q168-N171 PolarHBondContact O-N 3.22Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.29Å; Q168-E172 PolarHBondContact NE2-OE1 2.65Å; Q168-E172 VanDerWaalsContact NE2-OE1 3.11Å; Q168-E172 WeakPolarHBondContact O-CG 3.42Å; Q168-E172 PolarHBondContact O-N 2.6Å
169S88.6Confident83.9Confident19 Ų1962.4 Ų62.413%0.13333%0.327CS..Hα-helixtrans-61.6-42179.1-54.60000111.5E165 F166 N171 E172 V173E165-S169 PolarHBondContact O-N 3.04Å; E165-S169 PolarHBondContact O-OG 2.63Å; F166-S169 PolarHBondContact O-N 3.15Å; S169-N171 PolarHBondContact O-N 3.34Å; S169-E172 PolarHBondContact O-N 3.45Å; S169-V173 VanDerWaalsContact O-CG2 3.31Å; S169-V173 WeakPolarHBondContact O-CG2 3.31Å; S169-V173 PolarHBondContact O-N 3.3Å
170L89.4Confident83.6Confident0 Ų064 Ų640%034%0.335CS..Hα-helixtrans-61.8-43.4176.3-179.964.2000111.5L52 I57 L74 I77 V80 L99 F166 L167 Q168 V173 L174L52-L170 HydrophobicContact CD1-CD1 3.73Å; L52-L170 HydrophobicContact CD2-CB 4.23Å; I57-L170 HydrophobicContact CD1-CD1 4.09Å; L74-L170 HydrophobicContact CD2-CD1 3.6Å; I77-L170 HydrophobicContact CD1-CD1 4.3Å; V80-L170 HydrophobicContact CG1-CD2 4.29Å; V80-L170 HydrophobicContact CG2-CD2 3.77Å; V80-L170 HydrophobicContact CG2-CG 4.5Å; L99-L170 HydrophobicContact CD2-CD2 3.94Å; F166-L170 HydrophobicContact CE1-CB 4.4Å; F166-L170 HydrophobicContact CE1-CD2 4.12Å; F166-L170 WeakPolarHBondContact O-CB 3.4Å; F166-L170 PolarHBondContact O-N 2.92Å; L167-L170 PolarHBondContact O-N 2.99Å; Q168-L170 VanDerWaalsContact C-N 3.33Å; Q168-L170 PolarHBondContact O-N 2.81Å; L170-V173 PolarHBondContact O-N 2.89Å; L170-L174 HydrophobicContact CD1-CD1 4.09Å; L170-L174 HydrophobicContact CD1-CG 4.18Å; L170-L174 HydrophobicContact CD2-CD1 4.48Å; L170-L174 HydrophobicContact CG-CD1 3.84Å; L170-L174 HydrophobicContact CG-CG 4.34Å; L170-L174 VanDerWaalsContact O-CB 3.29Å; L170-L174 WeakPolarHBondContact O-CB 3.4Å; L170-L174 WeakPolarHBondContact O-CG 3.17Å; L170-L174 PolarHBondContact O-N 3.34Å
171N88.6Confident83Confident58 Ų5861 Ų6131%0.3132%0.322SS..Hα-helixtrans-66.7-36.8176.8-78.1-31.9000112.2L167 Q168 S169 K175L167-N171 VanDerWaalsContact CD2-ND2 3.29Å; L167-N171 WeakPolarHBondContact CD2-ND2 3.36Å; L167-N171 VanDerWaalsContact O-CB 3.31Å; L167-N171 WeakPolarHBondContact O-CB 3.47Å; L167-N171 VanDerWaalsContact O-CG 3.26Å; L167-N171 PolarHBondContact O-N 3.33Å; L167-N171 PolarHBondContact O-ND2 3.29Å; Q168-N171 PolarHBondContact O-N 3.22Å; S169-N171 PolarHBondContact O-N 3.34Å; N171-K175 WeakPolarHBondContact O-CB 3.37Å; N171-K175 WeakPolarHBondContact O-CG 3.23Å; N171-K175 PolarHBondContact O-N 3.02Å
172E88.5Confident82.3Confident99 Ų9959 Ų5946%0.46330%0.302SS..Hα-helixtrans-62.7-47.3173.9-73.8172.9-168.400110.8Q168 S169 K175 V176Q168-E172 WeakPolarHBondContact CG-OE1 3.29Å; Q168-E172 PolarHBondContact NE2-OE1 2.65Å; Q168-E172 VanDerWaalsContact NE2-OE1 3.11Å; Q168-E172 WeakPolarHBondContact O-CG 3.42Å; Q168-E172 PolarHBondContact O-N 2.6Å; S169-E172 PolarHBondContact O-N 3.45Å; E172-K175 WeakPolarHBondContact O-CB 3.39Å; E172-K175 PolarHBondContact O-N 3.48Å; E172-V176 WeakPolarHBondContact O-CG2 3.46Å; E172-V176 PolarHBondContact O-N 3.29Å; E172-V176 VanDerWaalsContact O-N 3.11Å
173V87.4Confident81Confident14 Ų1463.9 Ų63.99%0.08532%0.316CS..Hα-helixtrans-65.5-42.7177.3-178.80000111.9V28 L52 L74 S169 L170 K175 V176 K177 W179V28-V173 HydrophobicContact CB-CG2 4.31Å; V28-V173 HydrophobicContact CG1-CG2 3.98Å; V28-V173 HydrophobicContact CG2-CG2 3.85Å; L52-V173 HydrophobicContact CD2-CG2 4.24Å; L74-V173 HydrophobicContact CD1-CB 4.4Å; L74-V173 HydrophobicContact CD1-CG1 3.39Å; S169-V173 VanDerWaalsContact O-CG2 3.31Å; S169-V173 WeakPolarHBondContact O-CG2 3.31Å; S169-V173 PolarHBondContact O-N 3.3Å; L170-V173 PolarHBondContact O-N 2.89Å; V173-K175 PolarHBondContact O-N 2.97Å; V173-V176 PolarHBondContact O-N 3.39Å; V173-K177 PolarHBondContact O-N 3.18Å; V173-W179 HydrophobicContact CG1-CZ3 4.06Å
174L86.1Confident79.2Confident28 Ų2870.2 Ų70.215%0.14735%0.345CS..Hα-helixtrans-66.3-22.6176.4-73.1172.5000113.2L74 I77 V80 L170 K177 W179L74-L174 HydrophobicContact CB-CD2 4.39Å; I77-L174 HydrophobicContact CB-CD2 4.21Å; I77-L174 HydrophobicContact CG2-CD1 4.14Å; V80-L174 HydrophobicContact CG2-CD1 3.93Å; L170-L174 HydrophobicContact CD1-CD1 4.09Å; L170-L174 HydrophobicContact CD1-CG 4.18Å; L170-L174 HydrophobicContact CD2-CD1 4.48Å; L170-L174 HydrophobicContact CG-CD1 3.84Å; L170-L174 HydrophobicContact CG-CG 4.34Å; L170-L174 VanDerWaalsContact O-CB 3.29Å; L170-L174 WeakPolarHBondContact O-CB 3.4Å; L170-L174 WeakPolarHBondContact O-CG 3.17Å; L170-L174 PolarHBondContact O-N 3.34Å; L174-K177 VanDerWaalsContact O-CE 3.24Å; L174-K177 WeakPolarHBondContact O-CE 3.34Å; L174-K177 WeakPolarHBondContact O-CG 3.19Å; L174-W179 HydrophobicContact CD2-CH2 4.03Å; L174-W179 HydrophobicContact CD2-CZ2 4.4Å
175K85.6Confident77.1Confident173 Ų17370 Ų7075%0.75236%0.356SS*.Hα-helixtrans-76.7-43.1171.7-79.2170.5-177-179.40111.6N171 E172 V173N171-K175 WeakPolarHBondContact O-CB 3.37Å; N171-K175 WeakPolarHBondContact O-CG 3.23Å; N171-K175 PolarHBondContact O-N 3.02Å; E172-K175 WeakPolarHBondContact O-CB 3.39Å; E172-K175 PolarHBondContact O-N 3.48Å; V173-K175 PolarHBondContact O-N 2.97Å
176V82.1Confident74.5Confident82 Ų8272.8 Ų72.850%0.49737%0.374SS..Hα-helixtrans-71.7-37.2-179-1770000111.3E172 V173 L178E172-V176 WeakPolarHBondContact O-CG2 3.46Å; E172-V176 PolarHBondContact O-N 3.29Å; E172-V176 VanDerWaalsContact O-N 3.11Å; V173-V176 PolarHBondContact O-N 3.39Å; V176-L178 VanDerWaalsContact C-N 3.35Å; V176-L178 HydrophobicContact CB-CG 4.43Å; V176-L178 HydrophobicContact CG1-CD1 4.48Å; V176-L178 HydrophobicContact CG1-CD2 3.42Å; V176-L178 VanDerWaalsContact CG1-CD2 3.42Å; V176-L178 HydrophobicContact CG1-CG 3.57Å; V176-L178 PolarHBondContact O-N 3.09Å
177K80.9Confident72.1Confident104 Ų10481.5 Ų81.545%0.45241%0.412SS..  trans45.555.3-177.7-58.4-171.3176.5175.30112.3V173 L174 W179 T180V173-K177 PolarHBondContact O-N 3.18Å; L174-K177 VanDerWaalsContact O-CE 3.24Å; L174-K177 WeakPolarHBondContact O-CE 3.34Å; L174-K177 WeakPolarHBondContact O-CG 3.19Å; K177-W179 HydrophobicContact CB-CD2 4.47Å; K177-W179 HydrophobicContact CB-CH2 4.36Å; K177-W179 HydrophobicContact CB-CZ2 3.97Å; K177-W179 HydrophobicContact CD-CZ2 4.45Å; K177-W179 HydrophobicContact CG-CH2 4.24Å; K177-W179 HydrophobicContact CG-CZ2 3.82Å; K177-W179 PolarHBondContact O-N 2.82Å; K177-T180 HydrophobicContact CB-CG2 4.03Å; K177-T180 WeakPolarHBondContact CB-OG1 3.38Å; K177-T180 WeakPolarHBondContact O-CB 3.25Å; K177-T180 PolarHBondContact O-N 2.83Å; K177-T180 PolarHBondContact O-OG1 3.32Å
178L75.8Confident69.4Low49 Ų4989.2 Ų89.226%0.25744%0.444SS..G310 helixtrans-51.7-32.6-175.8-71.9171000113.1T54 V176 T180 L181T54-L178 HydrophobicContact CG2-CD1 3.48Å; T54-L178 VanDerWaalsContact CG2-CD1 3.48Å; V176-L178 VanDerWaalsContact C-N 3.35Å; V176-L178 HydrophobicContact CB-CG 4.43Å; V176-L178 HydrophobicContact CG1-CD1 4.48Å; V176-L178 HydrophobicContact CG1-CD2 3.42Å; V176-L178 VanDerWaalsContact CG1-CD2 3.42Å; V176-L178 HydrophobicContact CG1-CG 3.57Å; V176-L178 PolarHBondContact O-N 3.09Å; L178-T180 PolarHBondContact O-N 2.9Å; L178-T180 VanDerWaalsContact O-N 3.12Å; L178-L181 HydrophobicContact CD2-CD1 3.62Å; L178-L181 WeakPolarHBondContact O-CB 3.26Å; L178-L181 PolarHBondContact O-N 3.35Å; L178-L181 VanDerWaalsContact O-N 3.1Å
179W74.6Confident67Low17 Ų1790.8 Ų90.86%0.06446%0.456CS..G310 helixtrans-62-15.917558.788.9000114.8T54 L74 L114 V173 L174 K177T54-W179 VanDerWaalsContact O-CE3 3.26Å; T54-W179 VanDerWaalsContact O-CZ3 3.31Å; T54-W179 WeakPolarHBondContact O-CZ3 3.46Å; L74-W179 HydrophobicContact CB-CE3 4.17Å; L74-W179 HydrophobicContact CB-CH2 3.35Å; L74-W179 HydrophobicContact CB-CZ2 3.94Å; L74-W179 HydrophobicContact CB-CZ3 3.48Å; L74-W179 VanDerWaalsContact CB-CZ3 3.48Å; L74-W179 HydrophobicContact CD1-CE3 4.5Å; L74-W179 HydrophobicContact CD1-CH2 4.04Å; L74-W179 HydrophobicContact CD1-CZ3 3.59Å; L74-W179 HydrophobicContact CG-CH2 4.33Å; L74-W179 HydrophobicContact CG-CZ3 4.18Å; L114-W179 HydrophobicContact CD2-CB 4.33Å; L114-W179 HydrophobicContact CD2-CG 4.4Å; L114-W179 WeakPolarHBondContact CD2-O 3.32Å; V173-W179 HydrophobicContact CG1-CZ3 4.06Å; L174-W179 HydrophobicContact CD2-CH2 4.03Å; L174-W179 HydrophobicContact CD2-CZ2 4.4Å; K177-W179 HydrophobicContact CB-CD2 4.47Å; K177-W179 HydrophobicContact CB-CH2 4.36Å; K177-W179 HydrophobicContact CB-CZ2 3.97Å; K177-W179 HydrophobicContact CD-CZ2 4.45Å; K177-W179 HydrophobicContact CG-CH2 4.24Å; K177-W179 HydrophobicContact CG-CZ2 3.82Å; K177-W179 PolarHBondContact O-N 2.82Å
180T71Confident64.4Low73 Ų7396.1 Ų96.145%0.44849%0.488SS..G310 helixtrans-93.8-8.4177640000113.8K177 L178 S182K177-T180 HydrophobicContact CB-CG2 4.03Å; K177-T180 WeakPolarHBondContact CB-OG1 3.38Å; K177-T180 WeakPolarHBondContact O-CB 3.25Å; K177-T180 PolarHBondContact O-N 2.83Å; K177-T180 PolarHBondContact O-OG1 3.32Å; L178-T180 PolarHBondContact O-N 2.9Å; L178-T180 VanDerWaalsContact O-N 3.12Å; T180-S182 PolarHBondContact O-N 2.82Å
181L65.4Low62.1Low75 Ų75102.3 Ų102.339%0.39353%0.526SS..  trans-75.9123.6179.7-65.5175.3000110.4N116 L178 Y183N116-L181 PolarHBondContact ND2-O 2.98Å; L178-L181 HydrophobicContact CD2-CD1 3.62Å; L178-L181 WeakPolarHBondContact O-CB 3.26Å; L178-L181 PolarHBondContact O-N 3.35Å; L178-L181 VanDerWaalsContact O-N 3.1Å; L181-Y183 HydrophobicContact CB-CE2 4.4Å
182S58.4Low59.6Low60 Ų60109 Ų10942%0.4255%0.552SS.*  trans-89.4108167.9-169.30000108.5T180 H184T180-S182 PolarHBondContact O-N 2.82Å; S182-H184 PolarHBondContact O-N 2.89Å
183Y53.5Low57.3Low119 Ų119109.3 Ų109.347%0.46757%0.565SS.*  trans-7895.2169.7-61.6-74.9000108.6L181 S185L181-Y183 HydrophobicContact CB-CE2 4.4Å; Y183-S185 PolarHBondContact O-N 2.91Å
184H45.5Very low55.1Low157 Ų157117.8 Ų117.873%0.72760%0.601SS**  trans-74.7100.5163.8-72.9-54.7000107.9S182 D186S182-H184 PolarHBondContact O-N 2.89Å; H184-D186 PolarHBondContact O-N 2.81Å
185S42.4Very low52.9Low104 Ų104119.7 Ų119.773%0.72763%0.627SS**  trans-63.4116.4157.145.70000107.2Y183 F187Y183-S185 PolarHBondContact O-N 2.91Å; S185-F187 PolarHBondContact O-N 3.4Å
186D32Very low50.9Low152 Ų152118.7 Ų118.781%0.81364%0.636SS**  trans-65.674.3172.7-84.8-38.8000110H184H184-D186 PolarHBondContact O-N 2.81Å
187F39.5Very low49.2Very low182 Ų182118.4 Ų118.480%0.79865%0.65SS**  trans-114.191.8159.1-107.4-87.1000108.3S185 L189S185-F187 PolarHBondContact O-N 3.4Å; F187-L189 VanDerWaalsContact C-N 3.35Å; F187-L189 PolarHBondContact O-N 3.26Å
188K32Very low48.5Very low196 Ų196115.4 Ų115.485%0.85265%0.648SS**  trans-6095.9164.5-73.2179178.6173.70109
189L40.4Very low48Very low146 Ų146119.7 Ų119.776%0.76467%0.67SS**  trans-121.4109.7145.7-104.8100.1000109.4F187 T191F187-L189 VanDerWaalsContact C-N 3.35Å; F187-L189 PolarHBondContact O-N 3.26Å; L189-T191 PolarHBondContact O-N 2.99Å; L189-T191 VanDerWaalsContact O-N 3.17Å
190T34.1Very low47.9Very low131 Ų131120.7 Ų120.780%0.80469%0.685SS**  trans-55.9108.8169.450.40000110.6
191T39.4Very low48Very low130 Ų130119.7 Ų119.780%0.79869%0.685SS**  trans-126.7112.5143.452.80000107.8L189 S193L189-T191 PolarHBondContact O-N 2.99Å; L189-T191 VanDerWaalsContact O-N 3.17Å; T191-S193 PolarHBondContact O-N 2.8Å
192K36.6Very low48.4Very low197 Ų197120.6 Ų120.686%0.85769%0.689SS**  trans-62.8100.3173.3-71.6172.5174.4176.20107.9
193S39.7Very low49.5Very low106 Ų106122.1 Ų122.174%0.74169%0.689SS**  trans-97.5110.7159.5179.80000108.3T191T191-S193 PolarHBondContact O-N 2.8Å
194F41.4Very low50.8Low193 Ų193125.3 Ų125.385%0.84670%0.701SS**  trans-55.9131.8168.7-78.7-109.3000109.9
195G39.8Very low52.7Low68 Ų68122.7 Ų122.770%0.70169%0.689SS**  trans144.120.6168.800000116.8G197G195-G197 PolarHBondContact O-N 3.02Å
196T45Very low54.7Low152 Ų152123.6 Ų123.693%0.93368%0.681SS**  trans-70.876.3174.8-30.90000110.2
197G46.9Very low57.3Low76 Ų76119 Ų11978%0.78466%0.664SS**SBendtrans170.231.7-178.100000117G195G195-G197 PolarHBondContact O-N 3.02Å
198G64.4Low59.5Low41 Ų41113.2 Ų113.242%0.42365%0.651SS.*SBendtrans-109.5172.6-176.500000115.1G200 A201G198-G200 PolarHBondContact O-N 3Å; G198-A201 PolarHBondContact O-N 3.44Å
199I66.3Low62.2Low138 Ų138111 Ų11171%0.70864%0.637SS**Hα-helixtrans-42.5-32.2-174.2-62.1165000114.1A201 I202 Q203I199-A201 VanDerWaalsContact C-N 3.31Å; I199-A201 PolarHBondContact O-N 3.47Å; I199-I202 PolarHBondContact O-N 3.48Å; I199-I202 VanDerWaalsContact O-N 3.15Å; I199-Q203 WeakPolarHBondContact O-CB 3.38Å; I199-Q203 PolarHBondContact O-N 2.86Å
200G73.4Confident64.4Low38 Ų38106.2 Ų106.239%0.39262%0.618SS.*Hα-helixtrans-64-25.1176.400000115.6G198 R204G198-G200 PolarHBondContact O-N 3Å; G200-R204 WeakPolarHBondContact O-CG 3.44Å; G200-R204 PolarHBondContact O-N 2.77Å; G200-R204 VanDerWaalsContact O-N 3.16Å; G200-R204 PolarHBondContact O-NE 2.85Å
201A72.3Confident67Low52 Ų52105 Ų10543%0.4361%0.61SS.*Hα-helixtrans-74.6-40.4171.700000111.3G198 I199 R204 Q205G198-A201 PolarHBondContact O-N 3.44Å; I199-A201 VanDerWaalsContact C-N 3.31Å; I199-A201 PolarHBondContact O-N 3.47Å; A201-R204 PolarHBondContact O-N 2.76Å; A201-Q205 WeakPolarHBondContact O-CB 3.47Å; A201-Q205 PolarHBondContact O-N 2.91Å
202I74Confident69.3Low94 Ų94104.8 Ų104.848%0.48260%0.601SS.*Hα-helixtrans-65.7-42.7175-60.3173.1000109.9I199 R204 Q205 Q206I199-I202 PolarHBondContact O-N 3.48Å; I199-I202 VanDerWaalsContact O-N 3.15Å; I202-R204 PolarHBondContact O-N 2.84Å; I202-Q205 CarbonylContact O-C 3.59Å; I202-Q205 PolarHBondContact O-N 2.95Å; I202-Q206 HydrophobicContact CG2-CG 4.23Å; I202-Q206 WeakPolarHBondContact O-CB 3.47Å; I202-Q206 WeakPolarHBondContact O-CG 3.39Å; I202-Q206 PolarHBondContact O-N 2.62Å
203Q81Confident71.6Confident92 Ų9299 Ų9943%0.4358%0.582SS.*Hα-helixtrans-62.8-42.7178-172.1177.3-4.800111.8I199 Q206 A207I199-Q203 WeakPolarHBondContact O-CB 3.38Å; I199-Q203 PolarHBondContact O-N 2.86Å; Q203-Q206 PolarHBondContact O-N 3.43Å; Q203-A207 WeakPolarHBondContact O-CB 3.26Å; Q203-A207 PolarHBondContact O-N 2.79Å
204R80.9Confident73.9Confident187 Ų18799 Ų9971%0.70657%0.573SS**Hα-helixtrans-63.1-41.7172.9-81.8-174.2-80.3170.8-9.9112.3G200 A201 I202 A207 A208G200-R204 WeakPolarHBondContact O-CG 3.44Å; G200-R204 PolarHBondContact O-N 2.77Å; G200-R204 VanDerWaalsContact O-N 3.16Å; G200-R204 PolarHBondContact O-NE 2.85Å; A201-R204 PolarHBondContact O-N 2.76Å; I202-R204 PolarHBondContact O-N 2.84Å; R204-A207 PolarHBondContact O-N 3.19Å; R204-A208 WeakPolarHBondContact O-CB 3.38Å; R204-A208 PolarHBondContact O-N 2.84Å
205Q84.9Confident76.1Confident101 Ų10197.1 Ų97.147%0.47256%0.561SS.*Hα-helixtrans-65.6-39.2175.9-171.3177.718.700112.1A201 I202 R209A201-Q205 WeakPolarHBondContact O-CB 3.47Å; A201-Q205 PolarHBondContact O-N 2.91Å; I202-Q205 CarbonylContact O-C 3.59Å; I202-Q205 PolarHBondContact O-N 2.95Å; Q205-R209 WeakPolarHBondContact O-CB 3.37Å; Q205-R209 VanDerWaalsContact O-CG 3.28Å; Q205-R209 WeakPolarHBondContact O-CG 3.4Å; Q205-R209 PolarHBondContact O-N 2.98Å
206Q84.5Confident78.4Confident123 Ų12398.3 Ų98.358%0.57555%0.551SS**Hα-helixtrans-67.2-43.4176-76.5178.2-24.600111.8I202 Q203 R209 A210I202-Q206 HydrophobicContact CG2-CG 4.23Å; I202-Q206 WeakPolarHBondContact O-CB 3.47Å; I202-Q206 WeakPolarHBondContact O-CG 3.39Å; I202-Q206 PolarHBondContact O-N 2.62Å; Q203-Q206 PolarHBondContact O-N 3.43Å; Q206-R209 PolarHBondContact O-N 3.43Å; Q206-A210 WeakPolarHBondContact O-CB 3.41Å; Q206-A210 PolarHBondContact O-N 2.82Å
207A86.9Confident80.5Confident55 Ų5594.9 Ų94.946%0.45553%0.526SS..Hα-helixtrans-63.8-43.117600000111.9Q203 R204 A210 V211Q203-A207 WeakPolarHBondContact O-CB 3.26Å; Q203-A207 PolarHBondContact O-N 2.79Å; R204-A207 PolarHBondContact O-N 3.19Å; A207-A210 PolarHBondContact O-N 3.5Å; A207-V211 WeakPolarHBondContact O-CG2 3.32Å; A207-V211 PolarHBondContact O-N 3.13Å; A207-V211 VanDerWaalsContact O-N 3.09Å
208A86.2Confident82.5Confident62 Ų6294.2 Ų94.251%0.51251%0.513SS..Hα-helixtrans-62.4-42.5174.800000112R204 V211 E212R204-A208 WeakPolarHBondContact O-CB 3.38Å; R204-A208 PolarHBondContact O-N 2.84Å; A208-V211 PolarHBondContact O-N 3.38Å; A208-E212 PolarHBondContact O-N 2.9Å
209R87.9Confident83.6Confident149 Ų14996.8 Ų96.856%0.56251%0.514SS*.Hα-helixtrans-62.6-41174.5-77.9177.6178.9177.41.1112.3Q205 Q206 E212 T213Q205-R209 WeakPolarHBondContact O-CB 3.37Å; Q205-R209 VanDerWaalsContact O-CG 3.28Å; Q205-R209 WeakPolarHBondContact O-CG 3.4Å; Q205-R209 PolarHBondContact O-N 2.98Å; Q206-R209 PolarHBondContact O-N 3.43Å; R209-E212 PolarHBondContact O-N 2.89Å; R209-T213 WeakPolarHBondContact O-CG2 3.35Å; R209-T213 PolarHBondContact O-N 2.99Å; R209-T213 PolarHBondContact O-OG1 3.48Å; R209-T213 VanDerWaalsContact O-OG1 3.13Å
210A86.7Confident84.5Confident46 Ų4693 Ų9338%0.3850%0.498SS..Hα-helixtrans-61.7-43.8177.600000111.8Q206 A207 E212 T213 D214Q206-A210 WeakPolarHBondContact O-CB 3.41Å; Q206-A210 PolarHBondContact O-N 2.82Å; A207-A210 PolarHBondContact O-N 3.5Å; A210-E212 VanDerWaalsContact C-N 3.35Å; A210-E212 PolarHBondContact O-N 2.77Å; A210-T213 WeakPolarHBondContact CA-OG1 3.46Å; A210-T213 PolarHBondContact O-N 2.99Å; A210-T213 PolarHBondContact O-OG1 3.23Å; A210-D214 WeakPolarHBondContact O-CB 3.21Å; A210-D214 VanDerWaalsContact O-CG 3.26Å; A210-D214 PolarHBondContact O-N 2.85Å
211V88.3Confident85.1Confident104 Ų10497.8 Ų97.863%0.6351%0.508SS*.Hα-helixtrans-64.7-39.7176.3174.50000111.5A207 A208 D214 R215A207-V211 WeakPolarHBondContact O-CG2 3.32Å; A207-V211 PolarHBondContact O-N 3.13Å; A207-V211 VanDerWaalsContact O-N 3.09Å; A208-V211 PolarHBondContact O-N 3.38Å; V211-D214 PolarHBondContact O-N 3.44Å; V211-R215 WeakPolarHBondContact O-CB 3.41Å; V211-R215 PolarHBondContact O-N 2.9Å
212E87.9Confident85.9Confident127 Ų127100.6 Ų100.659%0.59351%0.512SS*.Hα-helixtrans-67.8-41.2176.6-172.7169.7-162.800112.3A208 R209 A210 R215 N216A208-E212 PolarHBondContact O-N 2.9Å; R209-E212 PolarHBondContact O-N 2.89Å; A210-E212 VanDerWaalsContact C-N 3.35Å; A210-E212 PolarHBondContact O-N 2.77Å; E212-R215 PolarHBondContact O-N 2.83Å; E212-N216 WeakPolarHBondContact O-CB 3.33Å; E212-N216 PolarHBondContact O-N 3.3Å
213T85.9Confident86.6Confident75 Ų75100.2 Ų100.246%0.4651%0.511SS..Hα-helixtrans-64.1-41.417452.50000111.5R209 A210 R215 N216 I217R209-T213 WeakPolarHBondContact O-CG2 3.35Å; R209-T213 PolarHBondContact O-N 2.99Å; R209-T213 PolarHBondContact O-OG1 3.48Å; R209-T213 VanDerWaalsContact O-OG1 3.13Å; A210-T213 WeakPolarHBondContact CA-OG1 3.46Å; A210-T213 PolarHBondContact O-N 2.99Å; A210-T213 PolarHBondContact O-OG1 3.23Å; T213-R215 PolarHBondContact O-N 3.32Å; T213-N216 PolarHBondContact O-N 2.99Å; T213-I217 WeakPolarHBondContact O-CB 3.16Å; T213-I217 WeakPolarHBondContact O-CD1 3.22Å; T213-I217 WeakPolarHBondContact O-CG1 3.37Å; T213-I217 PolarHBondContact O-N 2.79Å
214D86.9Confident86.8Confident106 Ų106100.2 Ų100.257%0.56751%0.513SS*.Hα-helixtrans-66.3-38.6178.7-74.5-13.4000111.8A210 V211 I217 A218A210-D214 WeakPolarHBondContact O-CB 3.21Å; A210-D214 VanDerWaalsContact O-CG 3.26Å; A210-D214 PolarHBondContact O-N 2.85Å; V211-D214 PolarHBondContact O-N 3.44Å; D214-I217 PolarHBondContact O-N 3.33Å; D214-A218 WeakPolarHBondContact O-CB 3.4Å; D214-A218 PolarHBondContact O-N 3.44Å
215R87.3Confident87.1Confident153 Ų15393.5 Ų93.558%0.57750%0.495SS*.Hα-helixtrans-63.1-46.8173.9-169.9-174.178.476.61.8111.1V211 E212 T213 I217 A218 E219V211-R215 WeakPolarHBondContact O-CB 3.41Å; V211-R215 PolarHBondContact O-N 2.9Å; E212-R215 PolarHBondContact O-N 2.83Å; T213-R215 PolarHBondContact O-N 3.32Å; R215-I217 VanDerWaalsContact C-N 3.35Å; R215-A218 PolarHBondContact O-N 2.96Å; R215-E219 IonicContact CZ-OE2 3.36Å; R215-E219 IonicContact NH1-OE2 2.75Å; R215-E219 PolarHBondContact NH1-OE2 2.74Å; R215-E219 IonicContact NH2-OE2 3.06Å; R215-E219 WeakPolarHBondContact O-CB 3.42Å; R215-E219 PolarHBondContact O-N 3.31Å
216N89.9Confident87.3Confident93 Ų9393.5 Ų93.550%0.49750%0.495SS..Hα-helixtrans-62.4-43.8177.8-167.3-10.8000110.6E212 T213 A218 E219 T220E212-N216 WeakPolarHBondContact O-CB 3.33Å; E212-N216 PolarHBondContact O-N 3.3Å; T213-N216 PolarHBondContact O-N 2.99Å; N216-A218 PolarHBondContact O-N 3.48Å; N216-E219 PolarHBondContact O-N 2.83Å; N216-T220 WeakPolarHBondContact O-CG2 3.41Å; N216-T220 PolarHBondContact O-N 3.17Å; N216-T220 PolarHBondContact O-OG1 3.42Å
217I88.4Confident87.5Confident81 Ų8192.4 Ų92.442%0.41549%0.493SS..Hα-helixtrans-59.7-46.8175.3-70164.2000110.9T213 D214 R215 E219 T220 F221T213-I217 WeakPolarHBondContact O-CB 3.16Å; T213-I217 WeakPolarHBondContact O-CD1 3.22Å; T213-I217 WeakPolarHBondContact O-CG1 3.37Å; T213-I217 PolarHBondContact O-N 2.79Å; D214-I217 PolarHBondContact O-N 3.33Å; R215-I217 VanDerWaalsContact C-N 3.35Å; I217-E219 PolarHBondContact O-N 2.84Å; I217-T220 WeakPolarHBondContact CA-OG1 3.14Å; I217-T220 PolarHBondContact O-N 2.98Å; I217-T220 PolarHBondContact O-OG1 3.35Å; I217-F221 HydrophobicContact CG2-CD2 3.54Å; I217-F221 HydrophobicContact CG2-CE2 3.3Å; I217-F221 WeakPolarHBondContact O-CD2 3.37Å; I217-F221 PolarHBondContact O-N 3.26Å
218A88.4Confident87.3Confident61 Ų6195.1 Ų95.150%0.50450%0.497SS..Hα-helixtrans-62.9-42178.800000112.8D214 R215 N216 F221 E222D214-A218 WeakPolarHBondContact O-CB 3.4Å; D214-A218 PolarHBondContact O-N 3.44Å; R215-A218 PolarHBondContact O-N 2.96Å; N216-A218 PolarHBondContact O-N 3.48Å; A218-F221 PolarHBondContact O-N 3.31Å; A218-E222 PolarHBondContact O-N 3.06Å; A218-E222 VanDerWaalsContact O-N 3.17Å
219E88.5Confident87.4Confident95 Ų9597.1 Ų97.144%0.44450%0.5SS..Hα-helixtrans-62-46.3174.4-168.8172.4169.600110.9R215 N216 I217 F221 E222 D223R215-E219 IonicContact CZ-OE2 3.36Å; R215-E219 IonicContact NH1-OE2 2.75Å; R215-E219 PolarHBondContact NH1-OE2 2.74Å; R215-E219 IonicContact NH2-OE2 3.06Å; R215-E219 WeakPolarHBondContact O-CB 3.42Å; R215-E219 PolarHBondContact O-N 3.31Å; N216-E219 PolarHBondContact O-N 2.83Å; I217-E219 PolarHBondContact O-N 2.84Å; E219-F221 VanDerWaalsContact C-N 3.34Å; E219-F221 PolarHBondContact O-N 3.23Å; E219-E222 PolarHBondContact O-N 3.34Å; E219-D223 PolarHBondContact O-N 3.03Å
220T85.6Confident87.4Confident60 Ų6095.1 Ų95.137%0.36850%0.5SS..Hα-helixtrans-63.2-34177.461.10000113.8N216 I217 L224N216-T220 WeakPolarHBondContact O-CG2 3.41Å; N216-T220 PolarHBondContact O-N 3.17Å; N216-T220 PolarHBondContact O-OG1 3.42Å; I217-T220 WeakPolarHBondContact CA-OG1 3.14Å; I217-T220 PolarHBondContact O-N 2.98Å; I217-T220 PolarHBondContact O-OG1 3.35Å; T220-L224 WeakPolarHBondContact O-CB 3.28Å; T220-L224 VanDerWaalsContact O-CG 3.28Å; T220-L224 WeakPolarHBondContact O-CG 3.46Å; T220-L224 PolarHBondContact O-N 3.13Å
221F85.3Confident87.3Confident137 Ų13794.2 Ų94.260%0.60149%0.493SS*.Hα-helixtrans-72.3-36.1176.2-82.4-62.3000112.8I217 A218 E219 L224 S225I217-F221 HydrophobicContact CG2-CD2 3.54Å; I217-F221 HydrophobicContact CG2-CE2 3.3Å; I217-F221 WeakPolarHBondContact O-CD2 3.37Å; I217-F221 PolarHBondContact O-N 3.26Å; A218-F221 PolarHBondContact O-N 3.31Å; E219-F221 VanDerWaalsContact C-N 3.34Å; E219-F221 PolarHBondContact O-N 3.23Å; F221-L224 HydrophobicContact CD1-CD1 4.5Å; F221-S225 PolarHBondContact O-N 2.64Å
222E88.7Confident87.2Confident111 Ų11191.7 Ų91.752%0.51948%0.48SS..Hα-helixtrans-63.9-46.4174.4-172.361.2-15200110.3A218 E219 L224 S225 Q226A218-E222 PolarHBondContact O-N 3.06Å; A218-E222 VanDerWaalsContact O-N 3.17Å; E219-E222 PolarHBondContact O-N 3.34Å; E222-L224 PolarHBondContact O-N 2.86Å; E222-S225 WeakPolarHBondContact O-CB 3.44Å; E222-S225 PolarHBondContact O-N 2.87Å; E222-S225 VanDerWaalsContact O-N 3.09Å; E222-S225 PolarHBondContact O-OG 2.66Å; E222-Q226 PolarHBondContact O-N 3Å
223D88.4Confident87.1Confident87 Ų8791.5 Ų91.547%0.46548%0.479SS..Hα-helixtrans-62.8-41.9176.7-74.3-11.4000112.5E219 S225 Q226 L227E219-D223 PolarHBondContact O-N 3.03Å; D223-S225 VanDerWaalsContact C-N 3.26Å; D223-S225 PolarHBondContact O-N 3.28Å; D223-Q226 PolarHBondContact O-N 3.37Å; D223-L227 WeakPolarHBondContact O-CB 3.34Å; D223-L227 PolarHBondContact O-N 3.09Å
224L85.5Confident86.9Confident91 Ų9192 Ų9248%0.47648%0.477SS..Hα-helixtrans-60.3-37.9173.6-78.5174.8000111.5T220 F221 E222 L227 M228T220-L224 WeakPolarHBondContact O-CB 3.28Å; T220-L224 VanDerWaalsContact O-CG 3.28Å; T220-L224 WeakPolarHBondContact O-CG 3.46Å; T220-L224 PolarHBondContact O-N 3.13Å; F221-L224 HydrophobicContact CD1-CD1 4.5Å; E222-L224 PolarHBondContact O-N 2.86Å; L224-L227 PolarHBondContact O-N 3.41Å; L224-M228 WeakPolarHBondContact O-CB 3.2Å; L224-M228 WeakPolarHBondContact O-CG 3.42Å; L224-M228 PolarHBondContact O-N 3.47Å
225S86.2Confident86.7Confident47 Ų4788.4 Ų88.433%0.32946%0.459SS..Hα-helixtrans-67.5-40.7177.782.90000112.2F221 E222 D223 M228 N229F221-S225 PolarHBondContact O-N 2.64Å; E222-S225 WeakPolarHBondContact O-CB 3.44Å; E222-S225 PolarHBondContact O-N 2.87Å; E222-S225 VanDerWaalsContact O-N 3.09Å; E222-S225 PolarHBondContact O-OG 2.66Å; D223-S225 VanDerWaalsContact C-N 3.26Å; D223-S225 PolarHBondContact O-N 3.28Å; S225-M228 PolarHBondContact O-N 3.34Å; S225-N229 PolarHBondContact O-N 3.02Å; S225-N229 PolarHBondContact O-ND2 2.86Å
226Q90.5Very high86.6Confident100 Ų10087.3 Ų87.347%0.46746%0.458SS..Hα-helixtrans-64.2-42.6174-66.9-179.619.300111.1E222 D223 N229 N230E222-Q226 PolarHBondContact O-N 3Å; D223-Q226 PolarHBondContact O-N 3.37Å; Q226-N229 PolarHBondContact O-N 3.3Å; Q226-N230 VanDerWaalsContact O-CG 3.31Å; Q226-N230 PolarHBondContact O-N 3.47Å
227L87.7Confident86.3Confident100 Ų10088 Ų8852%0.52446%0.461SS..Hα-helixtrans-64-41.1176.5-174.2132.9000112.1D223 L224 N230 A231D223-L227 WeakPolarHBondContact O-CB 3.34Å; D223-L227 PolarHBondContact O-N 3.09Å; L224-L227 PolarHBondContact O-N 3.41Å; L227-N230 PolarHBondContact O-N 3.38Å; L227-A231 VanDerWaalsContact O-CB 3.32Å; L227-A231 WeakPolarHBondContact O-CB 3.32Å; L227-A231 PolarHBondContact O-N 2.9Å
228M84.2Confident85.9Confident112 Ų11284.8 Ų84.855%0.55245%0.446SS*.Hα-helixtrans-64.4-38.9174.7-72.8-67.1102.700112.4L224 S225 A231 S232L224-M228 WeakPolarHBondContact O-CB 3.2Å; L224-M228 WeakPolarHBondContact O-CG 3.42Å; L224-M228 PolarHBondContact O-N 3.47Å; S225-M228 PolarHBondContact O-N 3.34Å; M228-A231 PolarHBondContact O-N 3.43Å; M228-S232 VanDerWaalsContact O-CB 3.23Å; M228-S232 WeakPolarHBondContact O-CB 3.23Å; M228-S232 PolarHBondContact O-N 3.04Å
229N88.1Confident85.5Confident105 Ų10589 Ų8956%0.56145%0.449SS*.Hα-helixtrans-62.7-48.2175.6-74-26.2000111.2S225 Q226 A231 S232 E233S225-N229 PolarHBondContact O-N 3.02Å; S225-N229 PolarHBondContact O-ND2 2.86Å; Q226-N229 PolarHBondContact O-N 3.3Å; N229-A231 PolarHBondContact O-N 3.17Å; N229-S232 WeakPolarHBondContact O-CB 3.48Å; N229-S232 PolarHBondContact O-N 3.11Å; N229-E233 PolarHBondContact O-N 2.88Å; N229-E233 VanDerWaalsContact O-N 3.11Å
230N87.4Confident85.2Confident107 Ų10789.9 Ų89.957%0.57246%0.456SS*.Hα-helixtrans-62-43.5177.3-66.5-13.7000111.9Q226 L227 E233 M234Q226-N230 VanDerWaalsContact O-CG 3.31Å; Q226-N230 PolarHBondContact O-N 3.47Å; L227-N230 PolarHBondContact O-N 3.38Å; N230-E233 PolarHBondContact O-N 3.24Å; N230-M234 PolarHBondContact O-N 3.11Å
231A85.2Confident84.9Confident27 Ų2791.2 Ų91.222%0.22346%0.46CS..Hα-helixtrans-63.6-41176.200000111.8L227 M228 N229 E233 M234 V235L227-A231 VanDerWaalsContact O-CB 3.32Å; L227-A231 WeakPolarHBondContact O-CB 3.32Å; L227-A231 PolarHBondContact O-N 2.9Å; M228-A231 PolarHBondContact O-N 3.43Å; N229-A231 PolarHBondContact O-N 3.17Å; A231-E233 PolarHBondContact O-N 3.46Å; A231-M234 PolarHBondContact O-N 3.47Å; A231-V235 VanDerWaalsContact O-CG2 3.25Å; A231-V235 WeakPolarHBondContact O-CG2 3.25Å; A231-V235 PolarHBondContact O-N 3.46Å
232S84.7Confident84.4Confident51 Ų5185.1 Ų85.136%0.35744%0.435SS..Hα-helixtrans-61.2-42.5178.2-177.40000112.5M228 N229 V235 K236M228-S232 VanDerWaalsContact O-CB 3.23Å; M228-S232 WeakPolarHBondContact O-CB 3.23Å; M228-S232 PolarHBondContact O-N 3.04Å; N229-S232 WeakPolarHBondContact O-CB 3.48Å; N229-S232 PolarHBondContact O-N 3.11Å; S232-V235 PolarHBondContact O-N 2.96Å; S232-K236 VanDerWaalsContact O-CG 3.31Å; S232-K236 WeakPolarHBondContact O-CG 3.46Å; S232-K236 PolarHBondContact O-N 3.24Å
233E87Confident83.9Confident123 Ų12385.4 Ų85.458%0.57544%0.435SS*.Hα-helixtrans-61-47173.9-69.9-173.2172.800111.6N229 N230 A231 V235 K236 L237N229-E233 PolarHBondContact O-N 2.88Å; N229-E233 VanDerWaalsContact O-N 3.11Å; N230-E233 PolarHBondContact O-N 3.24Å; A231-E233 PolarHBondContact O-N 3.46Å; E233-V235 VanDerWaalsContact C-N 3.33Å; E233-V235 PolarHBondContact O-N 3.26Å; E233-K236 PolarHBondContact O-N 3.17Å; E233-L237 WeakPolarHBondContact O-CG 3.12Å; E233-L237 PolarHBondContact O-N 2.98Å
234M82.1Confident83.5Confident86 Ų8687.8 Ų87.842%0.42444%0.441SS..Hα-helixtrans-62.3-38.4177.8-178.9165.535.100112.5N230 A231 S238 M268N230-M234 PolarHBondContact O-N 3.11Å; A231-M234 PolarHBondContact O-N 3.47Å; M234-S238 WeakPolarHBondContact O-CB 3.31Å; M234-S238 PolarHBondContact O-N 2.98Å; M234-S238 PolarHBondContact O-OG 3.12Å; M234-M268 HydrophobicContact CB-CE 4.18Å; M234-M268 HydrophobicContact CE-CE 3.28Å; M234-M268 HydrophobicContact CE-CG 4.47Å; M234-M268 HydrophobicContact CE-SD 3.12Å; M234-M268 WeakPolarHBondContact CE-SD 3.41Å; M234-M268 HydrophobicContact CG-CE 3.84Å; M234-M268 HydrophobicContact CG-SD 4.18Å; M234-M268 HydrophobicContact SD-CE 3.89Å; M234-M268 HydrophobicContact SD-CG 4.13Å; M234-M268 HydrophobicContact SD-SD 3.49Å
235V82Confident82.9Confident30 Ų3085.1 Ų85.118%0.18243%0.428CS..Hα-helixtrans-65.5-43175173.10000111.1A231 S232 E233 S238 R239 M268 V270A231-V235 VanDerWaalsContact O-CG2 3.25Å; A231-V235 WeakPolarHBondContact O-CG2 3.25Å; A231-V235 PolarHBondContact O-N 3.46Å; S232-V235 PolarHBondContact O-N 2.96Å; E233-V235 VanDerWaalsContact C-N 3.33Å; E233-V235 PolarHBondContact O-N 3.26Å; V235-S238 PolarHBondContact O-N 3.43Å; V235-R239 WeakPolarHBondContact O-CG 3.18Å; V235-R239 PolarHBondContact O-N 2.96Å; V235-M268 HydrophobicContact CG2-CE 4.05Å; V235-V270 HydrophobicContact CB-CG2 4.3Å; V235-V270 HydrophobicContact CG1-CG2 3.96Å; V235-V270 HydrophobicContact CG2-CG2 3.69Å
236K84.7Confident82.1Confident130 Ų13089.1 Ų89.157%0.56544%0.436SS*.Hα-helixtrans-61-47.5176.3-72.4169.4-172.4170.70111.2S232 E233 S238 R239 L240S232-K236 VanDerWaalsContact O-CG 3.31Å; S232-K236 WeakPolarHBondContact O-CG 3.46Å; S232-K236 PolarHBondContact O-N 3.24Å; E233-K236 PolarHBondContact O-N 3.17Å; K236-S238 PolarHBondContact O-N 3.45Å; K236-R239 PolarHBondContact O-N 3.01Å; K236-L240 WeakPolarHBondContact O-CG 3.44Å; K236-L240 PolarHBondContact O-N 2.9Å
237L83.8Confident81.3Confident108 Ų10889.8 Ų89.857%0.56544%0.443SS*.Hα-helixtrans-60.3-45.2176.5-69.3175.9000111.3E233 R239 L240 L241E233-L237 WeakPolarHBondContact O-CG 3.12Å; E233-L237 PolarHBondContact O-N 2.98Å; L237-R239 VanDerWaalsContact C-N 3.34Å; L237-R239 PolarHBondContact O-N 3.48Å; L237-L240 PolarHBondContact O-N 2.97Å; L237-L241 WeakPolarHBondContact O-CG 3.46Å; L237-L241 PolarHBondContact O-N 3.13Å
238S79.5Confident80.3Confident13 Ų1388.2 Ų88.29%0.09144%0.437CS..Hα-helixtrans-59.9-42.6178.2-60.10000112.1M234 V235 K236 L241 A242M234-S238 WeakPolarHBondContact O-CB 3.31Å; M234-S238 PolarHBondContact O-N 2.98Å; M234-S238 PolarHBondContact O-OG 3.12Å; V235-S238 PolarHBondContact O-N 3.43Å; K236-S238 PolarHBondContact O-N 3.45Å; S238-L241 PolarHBondContact O-N 3.43Å; S238-A242 WeakPolarHBondContact O-CB 3.3Å; S238-A242 PolarHBondContact O-N 2.96Å
239R79.8Confident78.9Confident149 Ų14992.3 Ų92.356%0.56245%0.452SS*.Hα-helixtrans-66.3-40175.4-71.8178.4-174.5176.22.9112.5V235 K236 L237 A242 K243V235-R239 WeakPolarHBondContact O-CG 3.18Å; V235-R239 PolarHBondContact O-N 2.96Å; K236-R239 PolarHBondContact O-N 3.01Å; L237-R239 VanDerWaalsContact C-N 3.34Å; L237-R239 PolarHBondContact O-N 3.48Å; R239-A242 PolarHBondContact O-N 3.31Å; R239-K243 WeakPolarHBondContact O-CB 3.48Å; R239-K243 PolarHBondContact O-N 3.1Å
240L83.1Confident77.3Confident114 Ų11491.3 Ų91.360%0.59747%0.467SS*.Hα-helixtrans-64.4-41.8175.8-72.4175.8000111.5K236 L237 K243 K244K236-L240 WeakPolarHBondContact O-CG 3.44Å; K236-L240 PolarHBondContact O-N 2.9Å; L237-L240 PolarHBondContact O-N 2.97Å; L240-K243 PolarHBondContact O-N 3.38Å; L240-K244 WeakPolarHBondContact O-CB 3.15Å; L240-K244 PolarHBondContact O-N 3.45Å
241L78.5Confident75.7Confident88 Ų8891 Ų9146%0.46147%0.473SS..Hα-helixtrans-62.4-47.6174.1-71.9171.4000111L237 S238 K243 K244 V245 L261L237-L241 WeakPolarHBondContact O-CG 3.46Å; L237-L241 PolarHBondContact O-N 3.13Å; S238-L241 PolarHBondContact O-N 3.43Å; L241-K243 VanDerWaalsContact C-N 3.31Å; L241-K243 PolarHBondContact O-N 2.92Å; L241-K244 PolarHBondContact O-N 2.67Å; L241-K244 VanDerWaalsContact O-N 3.14Å; L241-V245 WeakPolarHBondContact O-CG2 3.22Å; L241-V245 PolarHBondContact O-N 3.28Å; L241-L261 HydrophobicContact CB-CD1 4.2Å; L241-L261 HydrophobicContact CB-CD2 4.17Å; L241-L261 HydrophobicContact CD1-CD1 4.11Å
242A75.3Confident74.5Confident9 Ų996.4 Ų96.47%0.07450%0.498CS..Hα-helixtrans-60.7-38.5177.100000112.7S238 R239 R246 M265 E272S238-A242 WeakPolarHBondContact O-CB 3.3Å; S238-A242 PolarHBondContact O-N 2.96Å; R239-A242 PolarHBondContact O-N 3.31Å; A242-R246 PolarHBondContact O-N 2.99Å; A242-M265 HydrophobicContact CB-CE 4.3Å; A242-M265 HydrophobicContact CB-SD 4.06Å; A242-E272 WeakPolarHBondContact CB-OE2 3.36Å
243K79.2Confident73.4Confident116 Ų11697.6 Ų97.650%0.50450%0.5SS..Hα-helixtrans-65.2-47.2172-170.8-178.5177-176.30111.8R239 L240 L241 V245 R246 D247R239-K243 WeakPolarHBondContact O-CB 3.48Å; R239-K243 PolarHBondContact O-N 3.1Å; L240-K243 PolarHBondContact O-N 3.38Å; L241-K243 VanDerWaalsContact C-N 3.31Å; L241-K243 PolarHBondContact O-N 2.92Å; K243-V245 VanDerWaalsContact C-N 3.31Å; K243-V245 PolarHBondContact O-N 3.1Å; K243-R246 WeakPolarHBondContact O-CB 3.47Å; K243-R246 PolarHBondContact O-N 3.04Å; K243-D247 PolarHBondContact O-N 3.26Å
244K79.1Confident72.5Confident138 Ų13894.6 Ų94.660%0.649%0.493SS*.Hα-helixtrans-58.8-43.1178.5-171.7174.3-179.2-179.50111.6L240 L241 R246 D247 T248L240-K244 WeakPolarHBondContact O-CB 3.15Å; L240-K244 PolarHBondContact O-N 3.45Å; L241-K244 PolarHBondContact O-N 2.67Å; L241-K244 VanDerWaalsContact O-N 3.14Å; K244-R246 VanDerWaalsContact C-N 3.26Å; K244-R246 PolarHBondContact O-N 3.41Å; K244-D247 PolarHBondContact O-N 3.27Å; K244-T248 HydrophobicContact CG-CG2 4.38Å; K244-T248 PolarHBondContact O-N 3.18Å; K244-T248 PolarHBondContact O-OG1 2.98Å
245V72.9Confident71.8Confident35 Ų3593.8 Ų93.821%0.21250%0.5CS..Hα-helixtrans-59.4-34.9175.6173.60000111.9L241 K243 L253 I258 L261L241-V245 WeakPolarHBondContact O-CG2 3.22Å; L241-V245 PolarHBondContact O-N 3.28Å; K243-V245 VanDerWaalsContact C-N 3.31Å; K243-V245 PolarHBondContact O-N 3.1Å; V245-L253 HydrophobicContact CB-CD1 4.49Å; V245-L253 HydrophobicContact CG2-CD1 3.88Å; V245-I258 HydrophobicContact CG1-CD1 4.21Å; V245-I258 HydrophobicContact CG1-CG1 4.25Å; V245-I258 HydrophobicContact CG1-CG2 4.38Å; V245-L261 HydrophobicContact CG2-CD2 3.89Å
246R70.1Confident71.5Confident131 Ų13197.7 Ų97.749%0.49452%0.52SS..Hα-helixtrans-74.9-41.8174.7-74.5-177.4-69.1-156.7-8.7112.7A242 K243 K244 E272A242-R246 PolarHBondContact O-N 2.99Å; K243-R246 WeakPolarHBondContact O-CB 3.47Å; K243-R246 PolarHBondContact O-N 3.04Å; K244-R246 VanDerWaalsContact C-N 3.26Å; K244-R246 PolarHBondContact O-N 3.41Å; R246-E272 IonicContact CZ-OE1 3.02Å; R246-E272 IonicContact NH1-OE1 3.23Å; R246-E272 PolarHBondContact NH1-OE1 3.42Å; R246-E272 IonicContact NH2-OE1 2.66Å; R246-E272 PolarHBondContact NH2-OE1 3.36Å; R246-E272 IonicContact NH2-OE2 3.75Å
247D72.2Confident70.9Confident114 Ų11496 Ų9661%0.6151%0.514SS*.Hα-helixtrans-72.1-34.5-176.1-67.9-16.7000111.6K243 K244 K249K243-D247 PolarHBondContact O-N 3.26Å; K244-D247 PolarHBondContact O-N 3.27Å; D247-K249 PolarHBondContact O-N 2.98Å
248T67Low70.4Confident66 Ų6692.9 Ų92.941%0.40550%0.497SS..SBendtrans-79.795.3171.6570000109.7K244 G250K244-T248 HydrophobicContact CG-CG2 4.38Å; K244-T248 PolarHBondContact O-N 3.18Å; K244-T248 PolarHBondContact O-OG1 2.98Å; T248-G250 PolarHBondContact O-N 3.27Å
249K54.8Low70Confident199 Ų19993.2 Ų93.287%0.86550%0.501SS*.  trans-54.794.4170.9-75.5-178.8176.2179.20111.3D247 S251D247-K249 PolarHBondContact O-N 2.98Å; K249-S251 VanDerWaalsContact C-N 3.33Å; K249-S251 PolarHBondContact O-N 3.38Å
250G55.1Low69.8Low84 Ų8492.5 Ų92.587%0.86650%0.504SS*.SBendtrans60.86.4145.300000121.1T248T248-G250 PolarHBondContact O-N 3.27Å
251S54.2Low69.4Low100 Ų10088.8 Ų88.870%0.69948%0.484SS*.SBendtrans-98.6-37.8-173.3177.40000115.1K249K249-S251 VanDerWaalsContact C-N 3.33Å; K249-S251 PolarHBondContact O-N 3.38Å
252D59.2Low68.9Low141 Ų14189.3 Ų89.375%0.75448%0.48SS*.SBendtrans-1171-160.4-63.3-7.8000115.2
253L61Low68.8Low75 Ų7591.2 Ų91.239%0.39349%0.493SS..  trans-120.3124.4-179-71.2161.7000110.8V245 E257 I258V245-L253 HydrophobicContact CB-CD1 4.49Å; V245-L253 HydrophobicContact CG2-CD1 3.88Å; L253-E257 WeakPolarHBondContact CA-OE2 3.38Å; L253-I258 HydrophobicContact CB-CG1 4.37Å
254S68.2Low68.6Low61 Ų6188 Ų8843%0.42749%0.488SS..  trans-65.3145176.6174.60000110.4N256 E257 I258S254-N256 PolarHBondContact O-N 3.39Å; S254-N256 PolarHBondContact OG-N 2.74Å; S254-E257 PolarHBondContact N-OE2 3.09Å; S254-E257 PolarHBondContact O-N 3.4Å; S254-I258 PolarHBondContact O-N 2.97Å
255A68.8Low68.4Low69 Ų6982.1 Ų82.157%0.5746%0.463SS*.Hα-helixtrans-53.6-27.9173.900000112.6A259A255-A259 WeakPolarHBondContact O-CB 3.4Å; A255-A259 PolarHBondContact O-N 3.11Å; A255-A259 VanDerWaalsContact O-N 3.09Å
256N75Confident68.4Low112 Ų11284.5 Ų84.560%0.59947%0.474SS*.Hα-helixtrans-69.4-41.9176.3-68.3-4.8000112.3S254 I258 A259 E260S254-N256 PolarHBondContact O-N 3.39Å; S254-N256 PolarHBondContact OG-N 2.74Å; N256-I258 VanDerWaalsContact C-N 3.32Å; N256-I258 PolarHBondContact O-N 2.91Å; N256-A259 WeakPolarHBondContact O-CB 3.32Å; N256-A259 PolarHBondContact O-N 2.93Å; N256-A259 VanDerWaalsContact O-N 3.16Å; N256-E260 WeakPolarHBondContact O-CG 2.93Å; N256-E260 PolarHBondContact O-N 3.2Å
257E72.2Confident68.6Low95 Ų9583.4 Ų83.444%0.44449%0.486SS..Hα-helixtrans-66.7-37.7179.8-64.5171.1134.100111L253 S254 A259 E260 L261L253-E257 WeakPolarHBondContact CA-OE2 3.38Å; S254-E257 PolarHBondContact N-OE2 3.09Å; S254-E257 PolarHBondContact O-N 3.4Å; E257-A259 VanDerWaalsContact C-N 3.33Å; E257-E260 PolarHBondContact O-N 3.19Å; E257-L261 WeakPolarHBondContact O-CB 3.45Å; E257-L261 PolarHBondContact O-N 2.83Å
258I72.5Confident68.6Low41 Ų4180.7 Ų80.721%0.2147%0.471CS..Hα-helixtrans-68-36.9175.1-53.3175.2000110.4V245 L253 S254 N256 R262V245-I258 HydrophobicContact CG1-CD1 4.21Å; V245-I258 HydrophobicContact CG1-CG1 4.25Å; V245-I258 HydrophobicContact CG1-CG2 4.38Å; L253-I258 HydrophobicContact CB-CG1 4.37Å; S254-I258 PolarHBondContact O-N 2.97Å; N256-I258 VanDerWaalsContact C-N 3.32Å; N256-I258 PolarHBondContact O-N 2.91Å; I258-R262 VanDerWaalsContact CG2-CZ 3.48Å; I258-R262 WeakPolarHBondContact O-CG 3.38Å; I258-R262 PolarHBondContact O-N 2.75Å
259A71Confident68.7Low20 Ų2080.4 Ų80.417%0.16548%0.48CS..Hα-helixtrans-65.4-41.5175.800000112.6A255 N256 E257 R262 S263A255-A259 WeakPolarHBondContact O-CB 3.4Å; A255-A259 PolarHBondContact O-N 3.11Å; A255-A259 VanDerWaalsContact O-N 3.09Å; N256-A259 WeakPolarHBondContact O-CB 3.32Å; N256-A259 PolarHBondContact O-N 2.93Å; N256-A259 VanDerWaalsContact O-N 3.16Å; E257-A259 VanDerWaalsContact C-N 3.33Å; A259-R262 PolarHBondContact O-N 3.44Å; A259-S263 PolarHBondContact O-N 3.32Å
260E76.9Confident69.2Low134 Ų13471.8 Ų71.863%0.62644%0.444SS*.Hα-helixtrans-67.2-41.4174.3-73.5177.2-172.300111.9N256 E257 R262 S263 A264N256-E260 WeakPolarHBondContact O-CG 2.93Å; N256-E260 PolarHBondContact O-N 3.2Å; E257-E260 PolarHBondContact O-N 3.19Å; E260-R262 VanDerWaalsContact C-N 3.32Å; E260-R262 PolarHBondContact O-N 2.89Å; E260-S263 PolarHBondContact O-N 3.45Å; E260-S263 PolarHBondContact O-OG 3.39Å; E260-A264 WeakPolarHBondContact O-CB 3.4Å; E260-A264 PolarHBondContact O-N 3.49Å
261L74.2Confident69.4Low36 Ų3672.2 Ų72.219%0.18843%0.43CS..Hα-helixtrans-60.5-44174.6-179.664.5000111L241 V245 E257 A264 M265L241-L261 HydrophobicContact CB-CD1 4.2Å; L241-L261 HydrophobicContact CB-CD2 4.17Å; L241-L261 HydrophobicContact CD1-CD1 4.11Å; V245-L261 HydrophobicContact CG2-CD2 3.89Å; E257-L261 WeakPolarHBondContact O-CB 3.45Å; E257-L261 PolarHBondContact O-N 2.83Å; L261-A264 PolarHBondContact O-N 3.35Å; L261-M265 HydrophobicContact CD1-CG 4.5Å; L261-M265 HydrophobicContact CG-SD 4.47Å; L261-M265 VanDerWaalsContact O-CG 3.32Å; L261-M265 WeakPolarHBondContact O-CG 3.43Å; L261-M265 PolarHBondContact O-N 3.5Å
262R68Low69.4Low100 Ų10070.5 Ų70.538%0.37741%0.411SS..Hα-helixtrans-65.6-39.3177.9-75.1-175.5-175.7117.20.8112.6I258 A259 E260 A264 M265 L266 S288I258-R262 VanDerWaalsContact CG2-CZ 3.48Å; I258-R262 WeakPolarHBondContact O-CG 3.38Å; I258-R262 PolarHBondContact O-N 2.75Å; A259-R262 PolarHBondContact O-N 3.44Å; E260-R262 VanDerWaalsContact C-N 3.32Å; E260-R262 PolarHBondContact O-N 2.89Å; R262-A264 VanDerWaalsContact C-N 3.34Å; R262-M265 PolarHBondContact O-N 3.27Å; R262-L266 WeakPolarHBondContact O-CB 3.29Å; R262-L266 WeakPolarHBondContact O-CG 3.42Å; R262-L266 PolarHBondContact O-N 2.75Å; R262-S288 VanDerWaalsContact CZ-O 3.26Å; R262-S288 PolarHBondContact NH1-O 2.93Å
263S73.5Confident68.8Low49 Ų4969.2 Ų69.234%0.34341%0.408SS..Hα-helixtrans-66.6-38.317666.90000111.5A259 E260 L266 S267A259-S263 PolarHBondContact O-N 3.32Å; E260-S263 PolarHBondContact O-N 3.45Å; E260-S263 PolarHBondContact O-OG 3.39Å; S263-L266 PolarHBondContact O-N 2.89Å; S263-S267 WeakPolarHBondContact O-CB 3.48Å; S263-S267 PolarHBondContact O-N 2.89Å; S263-S267 PolarHBondContact O-OG 3.21Å
264A73.9Confident68Low49 Ų4970.5 Ų70.541%0.40542%0.419SS..Hα-helixtrans-63.6-44173.300000111.7E260 L261 R262 L266 S267 M268E260-A264 WeakPolarHBondContact O-CB 3.4Å; E260-A264 PolarHBondContact O-N 3.49Å; L261-A264 PolarHBondContact O-N 3.35Å; R262-A264 VanDerWaalsContact C-N 3.34Å; A264-L266 PolarHBondContact O-N 2.93Å; A264-S267 PolarHBondContact O-N 3.42Å; A264-M268 WeakPolarHBondContact O-CB 3.4Å; A264-M268 VanDerWaalsContact O-CG 3.3Å; A264-M268 WeakPolarHBondContact O-CG 3.4Å; A264-M268 PolarHBondContact O-N 3.4Å
265M74.9Confident66.4Low13 Ų1372.3 Ų72.36%0.06443%0.432CS..Hα-helixtrans-64.7-39.2176.8-72.5-169.78000113.1A242 L261 R262 M268 G269 V270 E272A242-M265 HydrophobicContact CB-CE 4.3Å; A242-M265 HydrophobicContact CB-SD 4.06Å; L261-M265 HydrophobicContact CD1-CG 4.5Å; L261-M265 HydrophobicContact CG-SD 4.47Å; L261-M265 VanDerWaalsContact O-CG 3.32Å; L261-M265 WeakPolarHBondContact O-CG 3.43Å; L261-M265 PolarHBondContact O-N 3.5Å; R262-M265 PolarHBondContact O-N 3.27Å; M265-M268 WeakPolarHBondContact O-CB 3.28Å; M265-M268 PolarHBondContact O-N 2.89Å; M265-G269 PolarHBondContact O-N 3.11Å; M265-V270 HydrophobicContact CE-CB 4.14Å; M265-V270 HydrophobicContact CE-CG1 3.61Å; M265-V270 PolarHBondContact O-N 3.24Å; M265-E272 HydrophobicContact CE-CB 4.34Å
266L74.3Confident64.7Low85 Ų8572.3 Ų72.345%0.44544%0.438SS..Hα-helixtrans-65.3-43.5174-76.1168.8000111.7R262 S263 A264 M268 G269R262-L266 WeakPolarHBondContact O-CB 3.29Å; R262-L266 WeakPolarHBondContact O-CG 3.42Å; R262-L266 PolarHBondContact O-N 2.75Å; S263-L266 PolarHBondContact O-N 2.89Å; A264-L266 PolarHBondContact O-N 2.93Å; L266-M268 PolarHBondContact O-N 3.31Å; L266-G269 PolarHBondContact O-N 3.49Å
267S74Confident62.4Low108 Ų10870 Ų7076%0.75544%0.441SS*.Hα-helixtrans-60.9-31.4175.5-55.40000112S263 A264 G269S263-S267 WeakPolarHBondContact O-CB 3.48Å; S263-S267 PolarHBondContact O-N 2.89Å; S263-S267 PolarHBondContact O-OG 3.21Å; A264-S267 PolarHBondContact O-N 3.42Å; S267-G269 VanDerWaalsContact C-N 3.3Å
268M71.8Confident60.4Low58 Ų5873.3 Ų73.329%0.28646%0.462SS..THydrogen-bonded Turntrans-79.3-5.2175.1-78-61.6-60.500114.6M234 V235 A264 M265 L266 V270M234-M268 HydrophobicContact CB-CE 4.18Å; M234-M268 HydrophobicContact CE-CE 3.28Å; M234-M268 HydrophobicContact CE-CG 4.47Å; M234-M268 HydrophobicContact CE-SD 3.12Å; M234-M268 WeakPolarHBondContact CE-SD 3.41Å; M234-M268 HydrophobicContact CG-CE 3.84Å; M234-M268 HydrophobicContact CG-SD 4.18Å; M234-M268 HydrophobicContact SD-CE 3.89Å; M234-M268 HydrophobicContact SD-CG 4.13Å; M234-M268 HydrophobicContact SD-SD 3.49Å; V235-M268 HydrophobicContact CG2-CE 4.05Å; A264-M268 WeakPolarHBondContact O-CB 3.4Å; A264-M268 VanDerWaalsContact O-CG 3.3Å; A264-M268 WeakPolarHBondContact O-CG 3.4Å; A264-M268 PolarHBondContact O-N 3.4Å; M265-M268 WeakPolarHBondContact O-CB 3.28Å; M265-M268 PolarHBondContact O-N 2.89Å; L266-M268 PolarHBondContact O-N 3.31Å; M268-V270 HydrophobicContact CB-CG2 4.05Å; M268-V270 PolarHBondContact O-N 2.62Å
269G68.3Low58.5Low59 Ų5978.2 Ų78.261%0.60849%0.489SS*.THydrogen-bonded Turntrans68.912-174.500000114.1M265 L266 S267 V271M265-G269 PolarHBondContact O-N 3.11Å; L266-G269 PolarHBondContact O-N 3.49Å; S267-G269 VanDerWaalsContact C-N 3.3Å; G269-V271 PolarHBondContact O-N 3.25Å; G269-V271 VanDerWaalsContact O-N 3.09Å
270V66.1Low56.6Low18 Ų1887.9 Ų87.911%0.10952%0.521CS..  trans-8585.7177.3-173.80000108.2V235 M265 M268 E272V235-V270 HydrophobicContact CB-CG2 4.3Å; V235-V270 HydrophobicContact CG1-CG2 3.96Å; V235-V270 HydrophobicContact CG2-CG2 3.69Å; M265-V270 HydrophobicContact CE-CB 4.14Å; M265-V270 HydrophobicContact CE-CG1 3.61Å; M265-V270 PolarHBondContact O-N 3.24Å; M268-V270 HydrophobicContact CB-CG2 4.05Å; M268-V270 PolarHBondContact O-N 2.62Å; V270-E272 VanDerWaalsContact C-N 3.33Å; V270-E272 PolarHBondContact O-N 3.12Å
271V60.3Low54.2Low93 Ų9385.2 Ų85.256%0.56453%0.529SS*.  trans-73.893.7166.2-175.60000107G269 V273G269-V271 PolarHBondContact O-N 3.25Å; G269-V271 VanDerWaalsContact O-N 3.09Å; V271-V273 HydrophobicContact CG1-CG2 4.36Å; V271-V273 PolarHBondContact O-N 2.62Å
272E53.3Low52.1Low65 Ų6588.8 Ų88.830%0.30456%0.557SS.*  trans-67.3107161.5-154.6-179-16000106.2A242 R246 M265 V270 V274A242-E272 WeakPolarHBondContact CB-OE2 3.36Å; R246-E272 IonicContact CZ-OE1 3.02Å; R246-E272 IonicContact NH1-OE1 3.23Å; R246-E272 PolarHBondContact NH1-OE1 3.42Å; R246-E272 IonicContact NH2-OE1 2.66Å; R246-E272 PolarHBondContact NH2-OE1 3.36Å; R246-E272 IonicContact NH2-OE2 3.75Å; M265-E272 HydrophobicContact CE-CB 4.34Å; V270-E272 VanDerWaalsContact C-N 3.33Å; V270-E272 PolarHBondContact O-N 3.12Å; E272-V274 HydrophobicContact CB-CG2 4.13Å; E272-V274 HydrophobicContact CG-CG2 4.15Å; E272-V274 PolarHBondContact O-N 2.91Å
273V46.2Very low50.3Low114 Ų11489.6 Ų89.669%0.69158%0.578SS**  trans-66.279.8171-177.90000106.7V271 S275V271-V273 HydrophobicContact CG1-CG2 4.36Å; V271-V273 PolarHBondContact O-N 2.62Å; V273-S275 PolarHBondContact O-N 3.49Å
274V44.7Very low48.2Very low101 Ų10192 Ų9261%0.61259%0.594SS**  trans-79.657163.9-156.30000107.3E272E272-V274 HydrophobicContact CB-CG2 4.13Å; E272-V274 HydrophobicContact CG-CG2 4.15Å; E272-V274 PolarHBondContact O-N 2.91Å
275S35.4Very low46.1Very low100 Ų10094.9 Ų94.970%0.69961%0.612SS**  trans-115.465.5153.8-60.90000105V273 G277V273-S275 PolarHBondContact O-N 3.49Å; S275-G277 PolarHBondContact O-N 3.19Å
276G31.3Very low44.2Very low69 Ų6998.8 Ų98.871%0.71164%0.64SS**  trans-54118.7151.900000105.6D278G276-D278 PolarHBondContact O-N 2.87Å
277G26.8Very low42.5Very low64 Ų64101.2 Ų101.266%0.6666%0.661SS**  trans-54.6134.2175.500000109.2S275S275-G277 PolarHBondContact O-N 3.19Å
278D31.5Very low41Very low163 Ų16399.1 Ų99.187%0.87265%0.647SS**  trans-147.8107.9135.1-84.5-33.4000106.3G276G276-D278 PolarHBondContact O-N 2.87Å
279D33Very low39.8Very low145 Ų14599.6 Ų99.678%0.77566%0.656SS**  trans-35.5133.5153.1-139.9-10.7000109.6
280R30.8Very low38.7Very low223 Ų223103.2 Ų103.284%0.84266%0.66SS**SBendtrans73.399.6165.7-52.9179.4172.7-157.6-5.4117.8
281G26.6Very low37.8Very low77 Ų77104.2 Ų104.279%0.79467%0.668SS**  trans44.391.1132.900000117.3
282S30.3Very low37.7Very low111 Ų111100.6 Ų100.678%0.77665%0.65SS**  trans-157.8102.3146.5-85.60000110.4S284S282-S284 PolarHBondContact O-N 3.4Å
283S28.8Very low38.5Very low118 Ų11898.4 Ų98.483%0.82564%0.641SS**  trans-36117.6147.847.50000111.9
284S29.7Very low39.9Very low98 Ų9895.9 Ų95.969%0.68563%0.626SS**  trans-178114142.838.70000111.3S282S282-S284 PolarHBondContact O-N 3.4Å
285S29Very low41.8Very low110 Ų11095.9 Ų95.977%0.76962%0.618SS**  trans45.395.9138.659.40000118.3
286S36.9Very low44.3Very low95 Ų9592.1 Ų92.166%0.66459%0.588SS**  trans-153.3125.4146.5-790000110S288S286-S288 PolarHBondContact O-N 2.67Å; S286-S288 PolarHBondContact O-OG 2.87Å
287P37.9Very low47.1Very low137 Ų13790.8 Ų90.889%0.8956%0.564SS**  trans-79.257-172.933.4-35.2000112.3
288S42Very low50.1Low63 Ų6396.4 Ų96.444%0.44157%0.566SS.*  trans-113.121.6-158.8570000116.1R262 S286R262-S288 VanDerWaalsContact CZ-O 3.26Å; R262-S288 PolarHBondContact NH1-O 2.93Å; S286-S288 PolarHBondContact O-N 2.67Å; S286-S288 PolarHBondContact O-OG 2.87Å
289S47.6Very low53Low68 Ų6888.8 Ų88.848%0.47653%0.525SS..  trans-119.3-12.1-163.6-1490000116.5S291 T293S289-S291 PolarHBondContact O-N 2.79Å; S289-T293 WeakPolarHBondContact O-CB 3.26Å; S289-T293 WeakPolarHBondContact O-CG2 3.09Å; S289-T293 PolarHBondContact O-N 3.22Å; S289-T293 PolarHBondContact O-OG1 3.45Å; S289-T293 WeakPolarHBondContact OG-CG2 3.34Å
290L44.2Very low55.8Low136 Ų13681.9 Ų81.971%0.71249%0.488SS*.Hα-helixtrans-61.9-43.9-153.5-133.672.8000116.9T293 T294L290-T293 WeakPolarHBondContact CA-OG1 3.45Å; L290-T293 PolarHBondContact O-OG1 2.88Å; L290-T294 WeakPolarHBondContact O-CG2 3.44Å; L290-T294 PolarHBondContact O-N 3.03Å
291S48Very low58.8Low38 Ų3875.4 Ų75.427%0.26647%0.467SS..Hα-helixtrans-73.4-49.9-173.5-1720000112.8S289 T293 T294 F295S289-S291 PolarHBondContact O-N 2.79Å; S291-T293 VanDerWaalsContact C-N 3.3Å; S291-T293 PolarHBondContact O-N 3.21Å; S291-T294 PolarHBondContact O-N 3.06Å; S291-T294 PolarHBondContact O-OG1 3.36Å; S291-F295 PolarHBondContact O-N 2.98Å
292G58.1Low61.9Low18 Ų1876.3 Ų76.319%0.18645%0.451CS..Hα-helixtrans-61.9-37.9173.900000112.2T294 F295 Y296G292-T294 PolarHBondContact O-N 3.33Å; G292-F295 PolarHBondContact O-N 3.24Å; G292-Y296 WeakPolarHBondContact O-CD2 3.41Å; G292-Y296 WeakPolarHBondContact O-CE2 3.39Å; G292-Y296 PolarHBondContact O-N 3.46Å
293T68.7Low64.9Low18 Ų1871.1 Ų71.111%0.1141%0.414CS..Hα-helixtrans-62.1-41.5175.549.90000112.5S289 L290 S291 F295 Y296 I297 Y357S289-T293 WeakPolarHBondContact O-CB 3.26Å; S289-T293 WeakPolarHBondContact O-CG2 3.09Å; S289-T293 PolarHBondContact O-N 3.22Å; S289-T293 PolarHBondContact O-OG1 3.45Å; S289-T293 WeakPolarHBondContact OG-CG2 3.34Å; L290-T293 WeakPolarHBondContact CA-OG1 3.45Å; L290-T293 PolarHBondContact O-OG1 2.88Å; S291-T293 VanDerWaalsContact C-N 3.3Å; S291-T293 PolarHBondContact O-N 3.21Å; T293-F295 VanDerWaalsContact C-N 3.27Å; T293-F295 PolarHBondContact O-N 3.05Å; T293-Y296 PolarHBondContact O-N 3.37Å; T293-I297 WeakPolarHBondContact O-CB 3.27Å; T293-I297 WeakPolarHBondContact O-CD1 3.38Å; T293-I297 WeakPolarHBondContact O-CG1 3.43Å; T293-I297 PolarHBondContact O-N 2.88Å; T293-Y357 HydrophobicContact CG2-CE1 4.19Å; T293-Y357 WeakPolarHBondContact CG2-OH 3.35Å
294T77Confident67.9Low61 Ų6165.8 Ų65.837%0.37438%0.377SS..Hα-helixtrans-63.5-36-176.8650000112.1L290 S291 G292 R298L290-T294 WeakPolarHBondContact O-CG2 3.44Å; L290-T294 PolarHBondContact O-N 3.03Å; S291-T294 PolarHBondContact O-N 3.06Å; S291-T294 PolarHBondContact O-OG1 3.36Å; G292-T294 PolarHBondContact O-N 3.33Å; T294-R298 WeakPolarHBondContact O-CB 3.47Å; T294-R298 WeakPolarHBondContact O-CG 3.12Å; T294-R298 PolarHBondContact O-N 2.99Å
295F84.2Confident70.9Confident101 Ų10164.7 Ų64.744%0.44337%0.369SS..Hα-helixtrans-62.5-53.6173.7173.1-101.8000111.4S291 G292 T293 I297 R298 L299S291-F295 PolarHBondContact O-N 2.98Å; G292-F295 PolarHBondContact O-N 3.24Å; T293-F295 VanDerWaalsContact C-N 3.27Å; T293-F295 PolarHBondContact O-N 3.05Å; F295-I297 VanDerWaalsContact C-N 3.33Å; F295-I297 PolarHBondContact O-N 3.32Å; F295-R298 PolarHBondContact O-N 3.26Å; F295-L299 HydrophobicContact CE1-CD2 4.05Å; F295-L299 HydrophobicContact CZ-CD2 4.14Å; F295-L299 WeakPolarHBondContact O-CB 3.37Å; F295-L299 PolarHBondContact O-N 3.37Å
296Y88.9Confident73.8Confident21 Ų2161.6 Ų61.68%0.08234%0.344CS..Hα-helixtrans-66.3-33.5-178.7-62.1-60.3000113G292 T293 L299 A300 D350 R353 Y357G292-Y296 WeakPolarHBondContact O-CD2 3.41Å; G292-Y296 WeakPolarHBondContact O-CE2 3.39Å; G292-Y296 PolarHBondContact O-N 3.46Å; T293-Y296 PolarHBondContact O-N 3.37Å; Y296-L299 PolarHBondContact O-N 3.1Å; Y296-A300 WeakPolarHBondContact O-CB 3.36Å; Y296-A300 PolarHBondContact O-N 3.36Å; Y296-D350 HydrophobicContact CE1-CB 4.37Å; Y296-R353 HydrophobicContact CD1-CB 3.86Å; Y296-R353 HydrophobicContact CE1-CB 3.85Å; Y296-R353 HydrophobicContact CG-CB 4.35Å; Y296-R353 PolarHBondContact OH-NE 2.93Å; Y296-R353 PolarHBondContact OH-NH1 2.86Å; Y296-R353 PolarHBondContact OH-NH2 3.38Å; Y296-Y357 HydrophobicContact CD2-CE2 4.29Å; Y296-Y357 HydrophobicContact CG-CE2 4.21Å
297I88.9Confident76.4Confident41 Ų4157.1 Ų57.121%0.2131%0.312CS..Hα-helixtrans-63.6-51.7174.4-70.2163.6000109.8T293 F295 L299 A300 H301 Y357 E361T293-I297 WeakPolarHBondContact O-CB 3.27Å; T293-I297 WeakPolarHBondContact O-CD1 3.38Å; T293-I297 WeakPolarHBondContact O-CG1 3.43Å; T293-I297 PolarHBondContact O-N 2.88Å; F295-I297 VanDerWaalsContact C-N 3.33Å; F295-I297 PolarHBondContact O-N 3.32Å; I297-L299 VanDerWaalsContact C-N 3.26Å; I297-L299 PolarHBondContact O-N 3.41Å; I297-A300 WeakPolarHBondContact O-CB 3.49Å; I297-A300 PolarHBondContact O-N 3.37Å; I297-A300 VanDerWaalsContact O-N 3.09Å; I297-H301 PolarHBondContact O-CD2 3.11Å; I297-H301 PolarHBondContact O-N 3.02Å; I297-Y357 HydrophobicContact CG1-CD1 3.85Å; I297-Y357 HydrophobicContact CG1-CE1 4.31Å; I297-Y357 HydrophobicContact CG1-CG 4.26Å; I297-E361 HydrophobicContact CG2-CG 4.19Å
298R90.9Very high78.8Confident182 Ų18253.5 Ų53.569%0.68728%0.283SS*.Hα-helixtrans-59.2-40.2176.3-74.2179.2-178163.52.4111.8T294 F295 A300 H301 Q302T294-R298 WeakPolarHBondContact O-CB 3.47Å; T294-R298 WeakPolarHBondContact O-CG 3.12Å; T294-R298 PolarHBondContact O-N 2.99Å; F295-R298 PolarHBondContact O-N 3.26Å; R298-A300 VanDerWaalsContact C-N 3.34Å; R298-H301 PolarHBondContact O-N 3.41Å; R298-Q302 WeakPolarHBondContact O-CG 3.48Å; R298-Q302 PolarHBondContact O-N 3.37Å
299L91.7Very high80.9Confident3 Ų352.3 Ų52.32%0.01627%0.273CS..Hα-helixtrans-63.8-40176.4-169.557.4000111.6F295 Y296 I297 H301 Q302 V303 R341 I346 D350 A354F295-L299 HydrophobicContact CE1-CD2 4.05Å; F295-L299 HydrophobicContact CZ-CD2 4.14Å; F295-L299 WeakPolarHBondContact O-CB 3.37Å; F295-L299 PolarHBondContact O-N 3.37Å; Y296-L299 PolarHBondContact O-N 3.1Å; I297-L299 VanDerWaalsContact C-N 3.26Å; I297-L299 PolarHBondContact O-N 3.41Å; L299-H301 PolarHBondContact O-N 3.16Å; L299-Q302 PolarHBondContact O-N 3.05Å; L299-V303 HydrophobicContact CG-CG2 4.46Å; L299-V303 WeakPolarHBondContact O-CB 3.45Å; L299-V303 VanDerWaalsContact O-CG2 3.24Å; L299-V303 WeakPolarHBondContact O-CG2 3.45Å; L299-V303 PolarHBondContact O-N 2.87Å; L299-R341 VanDerWaalsContact CD1-NH1 3.29Å; L299-I346 HydrophobicContact CD1-CD1 3.63Å; L299-I346 HydrophobicContact CD1-CG1 4.23Å; L299-I346 HydrophobicContact CD2-CG2 4Å; L299-I346 HydrophobicContact CG-CD1 4.46Å; L299-D350 HydrophobicContact CD2-CB 4.28Å; L299-A354 HydrophobicContact CB-CB 3.87Å; L299-A354 HydrophobicContact CD2-CB 3.79Å; L299-A354 HydrophobicContact CG-CB 3.72Å
300A92.5Very high82.7Confident0 Ų050.8 Ų50.80%026%0.26CS..Hα-helixtrans-60.8-43.7175.500000111.6Y296 I297 R298 Q302 V303 S304 A354 L358 L363Y296-A300 WeakPolarHBondContact O-CB 3.36Å; Y296-A300 PolarHBondContact O-N 3.36Å; I297-A300 WeakPolarHBondContact O-CB 3.49Å; I297-A300 PolarHBondContact O-N 3.37Å; I297-A300 VanDerWaalsContact O-N 3.09Å; R298-A300 VanDerWaalsContact C-N 3.34Å; A300-Q302 PolarHBondContact O-N 3.21Å; A300-V303 PolarHBondContact O-N 3.38Å; A300-S304 WeakPolarHBondContact O-CB 3.43Å; A300-S304 PolarHBondContact O-N 3.15Å; A300-A354 HydrophobicContact CB-CB 4.49Å; A300-A354 WeakPolarHBondContact CB-O 3.41Å; A300-L358 HydrophobicContact CB-CD2 4.01Å; A300-L358 HydrophobicContact CB-CG 4.4Å; A300-L358 WeakPolarHBondContact O-CD2 3.1Å; A300-L363 HydrophobicContact CB-CD1 4.2Å
301H92.9Very high84.6Confident87 Ų8744.4 Ų44.440%0.40323%0.226SC..Hα-helixtrans-60.2-43.8173.2-77.6-82.5000112.4I297 R298 L299 S304 S305I297-H301 PolarHBondContact O-CD2 3.11Å; I297-H301 PolarHBondContact O-N 3.02Å; R298-H301 PolarHBondContact O-N 3.41Å; L299-H301 PolarHBondContact O-N 3.16Å; H301-S304 PolarHBondContact O-N 2.68Å; H301-S305 WeakPolarHBondContact O-CB 3.39Å; H301-S305 PolarHBondContact O-N 3.46Å
302Q92.1Very high86.3Confident97 Ų9747.8 Ų47.845%0.45324%0.236SC..Hα-helixtrans-63.3-48.5177.4-72.2178.4-15.500111.8R298 L299 A300 S304 S305 I306R298-Q302 WeakPolarHBondContact O-CG 3.48Å; R298-Q302 PolarHBondContact O-N 3.37Å; L299-Q302 PolarHBondContact O-N 3.05Å; A300-Q302 PolarHBondContact O-N 3.21Å; Q302-S304 VanDerWaalsContact C-N 3.27Å; Q302-S304 PolarHBondContact O-N 3.47Å; Q302-S305 PolarHBondContact O-N 3.33Å; Q302-S305 VanDerWaalsContact O-N 3.11Å; Q302-S305 PolarHBondContact O-OG 3.38Å; Q302-I306 WeakPolarHBondContact O-CG1 3.24Å; Q302-I306 PolarHBondContact O-N 3.45Å
303V92.9Very high86.9Confident1 Ų149 Ų491%0.00625%0.249CC..Hα-helixtrans-57.1-44.6176.7171.10000110.3L299 A300 S305 I306 L307 V337 L351L299-V303 HydrophobicContact CG-CG2 4.46Å; L299-V303 WeakPolarHBondContact O-CB 3.45Å; L299-V303 VanDerWaalsContact O-CG2 3.24Å; L299-V303 WeakPolarHBondContact O-CG2 3.45Å; L299-V303 PolarHBondContact O-N 2.87Å; A300-V303 PolarHBondContact O-N 3.38Å; V303-S305 PolarHBondContact O-N 2.92Å; V303-I306 PolarHBondContact O-N 3.13Å; V303-L307 HydrophobicContact CG1-CD1 3.65Å; V303-L307 HydrophobicContact CG1-CG 4.34Å; V303-L307 WeakPolarHBondContact O-CB 3.49Å; V303-L307 WeakPolarHBondContact O-CG 3.35Å; V303-L307 PolarHBondContact O-N 2.89Å; V303-V337 HydrophobicContact CG1-CG2 4.38Å; V303-V337 HydrophobicContact CG2-CG1 4.39Å; V303-V337 HydrophobicContact CG2-CG2 4.49Å; V303-L351 HydrophobicContact CG1-CD1 4.21Å; V303-L351 HydrophobicContact CG2-CD1 3.54Å
304S92.8Very high86.4Confident6 Ų654.4 Ų54.44%0.04227%0.273CS..Hα-helixtrans-60.8-44.9175.5-173.10000112.2A300 H301 Q302 I306 L307 F308 P364A300-S304 WeakPolarHBondContact O-CB 3.43Å; A300-S304 PolarHBondContact O-N 3.15Å; H301-S304 PolarHBondContact O-N 2.68Å; Q302-S304 VanDerWaalsContact C-N 3.27Å; Q302-S304 PolarHBondContact O-N 3.47Å; S304-I306 VanDerWaalsContact C-N 3.32Å; S304-I306 PolarHBondContact O-N 3.34Å; S304-L307 PolarHBondContact O-N 3.48Å; S304-F308 WeakPolarHBondContact O-CB 3.46Å; S304-F308 PolarHBondContact O-N 2.98Å; S304-P364 WeakPolarHBondContact OG-CD 3.38Å; S304-P364 WeakPolarHBondContact OG-CG 3.45Å
305S91.4Very high85.2Confident75 Ų7554.5 Ų54.552%0.52428%0.275SS..Hα-helixtrans-63.6-33.6179.574.20000113.9H301 Q302 V303 P309H301-S305 WeakPolarHBondContact O-CB 3.39Å; H301-S305 PolarHBondContact O-N 3.46Å; Q302-S305 PolarHBondContact O-N 3.33Å; Q302-S305 VanDerWaalsContact O-N 3.11Å; Q302-S305 PolarHBondContact O-OG 3.38Å; V303-S305 PolarHBondContact O-N 2.92Å; S305-P309 WeakPolarHBondContact O-CD 3.32Å
306I90.6Very high83.6Confident45 Ų4551.9 Ų51.923%0.23127%0.269CS..Hα-helixtrans-79.9-43.2-179.6-66.5166.9000110.9Q302 V303 S304 V337 A340Q302-I306 WeakPolarHBondContact O-CG1 3.24Å; Q302-I306 PolarHBondContact O-N 3.45Å; V303-I306 PolarHBondContact O-N 3.13Å; S304-I306 VanDerWaalsContact C-N 3.32Å; S304-I306 PolarHBondContact O-N 3.34Å; I306-V337 HydrophobicContact CD1-CG1 4.29Å; I306-V337 HydrophobicContact CG2-CG2 4.47Å; I306-A340 HydrophobicContact CD1-CB 4.28Å; I306-A340 HydrophobicContact CG2-CB 3.84Å
307L90.6Very high81.7Confident1 Ų158.7 Ų58.71%0.00531%0.307CS..Hα-helixtrans-82.8-28.3-174.7-65.1179.7000112.9V303 S304 L310 L311 A333 R336 V337 I365 L377V303-L307 HydrophobicContact CG1-CD1 3.65Å; V303-L307 HydrophobicContact CG1-CG 4.34Å; V303-L307 WeakPolarHBondContact O-CB 3.49Å; V303-L307 WeakPolarHBondContact O-CG 3.35Å; V303-L307 PolarHBondContact O-N 2.89Å; S304-L307 PolarHBondContact O-N 3.48Å; L307-L310 HydrophobicContact CD2-CD1 4.23Å; L307-L310 WeakPolarHBondContact O-CB 3.41Å; L307-L310 PolarHBondContact O-N 3.41Å; L307-L310 VanDerWaalsContact O-N 3.13Å; L307-L311 WeakPolarHBondContact O-CG 3.35Å; L307-L311 PolarHBondContact O-N 3.32Å; L307-A333 HydrophobicContact CD1-CB 3.95Å; L307-A333 HydrophobicContact CD2-CB 4.41Å; L307-R336 HydrophobicContact CD2-CB 4.31Å; L307-V337 HydrophobicContact CD1-CG2 4.28Å; L307-V337 HydrophobicContact CD2-CG2 4.05Å; L307-V337 HydrophobicContact CG-CG2 4.07Å; L307-I365 HydrophobicContact CB-CD1 3.57Å; L307-L377 HydrophobicContact CD1-CD1 3.48Å; L307-L377 VanDerWaalsContact CD1-CD1 3.48Å
308F89.4Confident80.3Confident62 Ų6263.7 Ų63.727%0.27233%0.33SS..Hα-helixtrans-59.2-46.1-176.8176.9-98000113.5S304 L310 L311 K312 P364 I365 L379S304-F308 WeakPolarHBondContact O-CB 3.46Å; S304-F308 PolarHBondContact O-N 2.98Å; F308-L310 VanDerWaalsContact C-N 3.26Å; F308-L310 PolarHBondContact O-N 2.86Å; F308-L311 PolarHBondContact O-N 3.41Å; F308-K312 HydrophobicContact CE1-CD 4.1Å; F308-K312 HydrophobicContact CZ-CD 3.93Å; F308-K312 WeakPolarHBondContact O-CB 3.47Å; F308-K312 PolarHBondContact O-N 2.89Å; F308-P364 HydrophobicContact CD2-CB 3.58Å; F308-P364 HydrophobicContact CD2-CG 3.59Å; F308-P364 HydrophobicContact CE2-CB 3.57Å; F308-P364 HydrophobicContact CE2-CG 3.97Å; F308-P364 HydrophobicContact CG-CG 4.23Å; F308-I365 HydrophobicContact CB-CD1 4.29Å; F308-L379 HydrophobicContact CD2-CD1 3.71Å; F308-L379 HydrophobicContact CE2-CD1 3.76Å
309P85.8Confident78.5Confident37 Ų3760 Ų6024%0.2433%0.332CS..Hα-helixtrans-63.6-31.1176-21.133.2000113.5S305 G313 Q314 C315S305-P309 WeakPolarHBondContact O-CD 3.32Å; P309-G313 PolarHBondContact O-N 3.32Å; P309-Q314 PolarHBondContact O-N 3.02Å; P309-Q314 VanDerWaalsContact O-N 3.16Å; P309-C315 HydrophobicContact CB-CB 4.44Å; P309-C315 WeakPolarHBondContact CB-SG 3.41Å
310L84.9Confident76.8Confident37 Ų3763 Ų6319%0.19436%0.356CS..Hα-helixtrans-71-48.1177-60.1177000110.9L307 F308 K312 G313 C315 R336L307-L310 HydrophobicContact CD2-CD1 4.23Å; L307-L310 WeakPolarHBondContact O-CB 3.41Å; L307-L310 PolarHBondContact O-N 3.41Å; L307-L310 VanDerWaalsContact O-N 3.13Å; F308-L310 VanDerWaalsContact C-N 3.26Å; F308-L310 PolarHBondContact O-N 2.86Å; L310-K312 VanDerWaalsContact C-N 3.35Å; L310-K312 PolarHBondContact O-N 3.48Å; L310-G313 PolarHBondContact O-N 3.41Å; L310-G313 VanDerWaalsContact O-N 3.15Å; L310-C315 HydrophobicContact CD2-CB 4.33Å; L310-R336 HydrophobicContact CD1-CB 4.4Å
311L85.3Confident75.1Confident2 Ų264.9 Ų64.91%0.0137%0.367CS..Hα-helixtrans-66.9-34.4-179.6-68.5179.9000112.9L307 F308 G313 H324 G326 I328 I365L307-L311 WeakPolarHBondContact O-CG 3.35Å; L307-L311 PolarHBondContact O-N 3.32Å; F308-L311 PolarHBondContact O-N 3.41Å; L311-G313 PolarHBondContact O-N 3.3Å; L311-H324 WeakPolarHBondContact CD2-O 3.14Å; L311-G326 PolarHBondContact O-N 2.82Å; L311-I328 HydrophobicContact CD2-CB 4Å; L311-I328 HydrophobicContact CD2-CG2 3.87Å; L311-I365 HydrophobicContact CD1-CD1 3.85Å; L311-I365 HydrophobicContact CD1-CG1 4.04Å; L311-I365 HydrophobicContact CD1-CG2 4.12Å
312K82.7Confident73.5Confident108 Ų10867.5 Ų67.547%0.4737%0.373SS..THydrogen-bonded Turntrans-75.7-7.6176.5-163.5170.2173.6-178.30113F308 L310 Q314F308-K312 HydrophobicContact CE1-CD 4.1Å; F308-K312 HydrophobicContact CZ-CD 3.93Å; F308-K312 WeakPolarHBondContact O-CB 3.47Å; F308-K312 PolarHBondContact O-N 2.89Å; L310-K312 VanDerWaalsContact C-N 3.35Å; L310-K312 PolarHBondContact O-N 3.48Å; K312-Q314 VanDerWaalsContact C-N 3.3Å; K312-Q314 HydrophobicContact CB-CG 4.23Å; K312-Q314 HydrophobicContact CD-CG 4.26Å; K312-Q314 HydrophobicContact CG-CG 3.99Å; K312-Q314 PolarHBondContact O-N 2.94Å
313G71.1Confident72Confident44 Ų4466.3 Ų66.345%0.45437%0.37SS..THydrogen-bonded Turntrans71.719.5179.300000114.4P309 L310 L311P309-G313 PolarHBondContact O-N 3.32Å; L310-G313 PolarHBondContact O-N 3.41Å; L310-G313 VanDerWaalsContact O-N 3.15Å; L311-G313 PolarHBondContact O-N 3.3Å
314Q59Low70.5Confident131 Ų13167.2 Ų67.261%0.61237%0.374SS*.  trans-85.9-13.4-177.1-64.7-171.3-55.500113.2P309 K312P309-Q314 PolarHBondContact O-N 3.02Å; P309-Q314 VanDerWaalsContact O-N 3.16Å; K312-Q314 VanDerWaalsContact C-N 3.3Å; K312-Q314 HydrophobicContact CB-CG 4.23Å; K312-Q314 HydrophobicContact CD-CG 4.26Å; K312-Q314 HydrophobicContact CG-CG 3.99Å; K312-Q314 PolarHBondContact O-N 2.94Å
315C51.3Low69.6Low63 Ų6371.6 Ų71.643%0.42640%0.396SS..SBendtrans-119.172.6-174-65.80000111.3P309 L310P309-C315 HydrophobicContact CB-CB 4.44Å; P309-C315 WeakPolarHBondContact CB-SG 3.41Å; L310-C315 HydrophobicContact CD2-CB 4.33Å
316S49.7Very low69Low46 Ų4668.5 Ų68.532%0.32238%0.375SS..  trans163.8142.9134.9600000113H318 D321S316-H318 PolarHBondContact O-N 3.41Å; S316-D321 WeakPolarHBondContact OG-CB 3.35Å
317N49.9Very low68.9Low164 Ų16467.4 Ų67.488%0.87737%0.372SS*.SBendtrans-80.90.8167.7-66.9-29.4000112.5
318H58.6Low68.9Low147 Ų14767.5 Ų67.568%0.68137%0.372SS*.SBendtrans-92.3129-178.1-87.7-69.9000111S316 A320 D321S316-H318 PolarHBondContact O-N 3.41Å; H318-A320 PolarHBondContact O-N 3.45Å; H318-A320 VanDerWaalsContact O-N 3.11Å; H318-D321 PolarHBondContact O-N 3.01Å
319S53.7Low69Low104 Ų10465.4 Ų65.473%0.72736%0.364SS*.G310 helixtrans-54.8-30-178.948.10000114D321S319-D321 PolarHBondContact O-N 2.9Å
320A56.5Low69.3Low65 Ų6564.9 Ų64.954%0.53736%0.359SS..G310 helixtrans-72.5-24.4-177.600000114.3H318 L323H318-A320 PolarHBondContact O-N 3.45Å; H318-A320 VanDerWaalsContact O-N 3.11Å; A320-L323 WeakPolarHBondContact O-CD1 3.45Å
321D55.3Low69.7Low41 Ų4166.3 Ų66.322%0.21938%0.376CS..G310 helixtrans-90.3-4.3-178.4-121.512.6000113.3S316 H318 S319 L323 R336S316-D321 WeakPolarHBondContact OG-CB 3.35Å; H318-D321 PolarHBondContact O-N 3.01Å; S319-D321 PolarHBondContact O-N 2.9Å; D321-L323 PolarHBondContact O-N 3.35Å; D321-R336 IonicContact OD1-CZ 2.86Å; D321-R336 IonicContact OD1-NH1 3.54Å; D321-R336 PolarHBondContact OD1-NH1 3.44Å; D321-R336 IonicContact OD1-NH2 3.63Å; D321-R336 PolarHBondContact OD1-NH2 3.28Å; D321-R336 IonicContact OD2-NH1 2.62Å
322R60.4Low70Confident142 Ų14268.1 Ų68.154%0.53639%0.387SS..G310 helixtrans-74.7-3174.9-62.7-172.5-1701773.2113.6H324 I325R322-H324 PolarHBondContact O-N 3.25Å; R322-I325 HydrophobicContact CB-CD1 4.3Å; R322-I325 WeakPolarHBondContact O-CD1 3.36Å
323L59.4Low70.4Confident72 Ų7263 Ų6338%0.37736%0.364SS..G310 helixtrans-73.1-5.7-178.4-76.8164.8000114.5A320 D321 N411A320-L323 WeakPolarHBondContact O-CD1 3.45Å; D321-L323 PolarHBondContact O-N 3.35Å; L323-N411 CarbonylContact C-O 3.59Å; L323-N411 VanDerWaalsContact C-O 3.22Å; L323-N411 VanDerWaalsContact CA-O 3.26Å; L323-N411 WeakPolarHBondContact CA-O 3.46Å; L323-N411 HydrophobicContact CD2-CB 4.45Å
324H62.4Low71.5Confident20 Ų2064.2 Ų64.29%0.09336%0.356CS..G310 helixtrans-125.525.6-169.2-54.8-53.5000113.3L311 R322 G326 I328 R336L311-H324 WeakPolarHBondContact CD2-O 3.14Å; R322-H324 PolarHBondContact O-N 3.25Å; H324-G326 PolarHBondContact O-N 3.22Å; H324-I328 HydrophobicContact CB-CD1 4.39Å; H324-R336 PolarHBondContact CD2-NH2 3.39Å; H324-R336 PolarHBondContact NE2-NH2 3.27Å; H324-R336 VanDerWaalsContact NE2-NH2 3.1Å
325I72.7Confident73.1Confident98 Ų9861.8 Ų61.850%0.50335%0.352SS..SBendtrans-71.1124.9-179.5-60.9167.3000108.6R322 C327R322-I325 HydrophobicContact CB-CD1 4.3Å; R322-I325 WeakPolarHBondContact O-CD1 3.36Å; I325-C327 VanDerWaalsContact C-N 3.29Å; I325-C327 PolarHBondContact O-N 2.9Å; I325-C327 VanDerWaalsContact O-N 3.11Å
326G80Confident75Confident9 Ų962 Ų629%0.09334%0.344CS..SBendtrans83-41.4175.600000115.8L311 H324 Q378 L379L311-G326 PolarHBondContact O-N 2.82Å; H324-G326 PolarHBondContact O-N 3.22Å; G326-Q378 WeakPolarHBondContact O-CA 3.22Å; G326-L379 PolarHBondContact O-N 2.93Å
327C87.8Confident77.1Confident23 Ų2359.9 Ų59.916%0.15533%0.329CS..EExtended strand (participates in β ladder)trans-144.8152.417967.40000114.2I325 V376 L377 Q378I325-C327 VanDerWaalsContact C-N 3.29Å; I325-C327 PolarHBondContact O-N 2.9Å; I325-C327 VanDerWaalsContact O-N 3.11Å; C327-V376 HydrophobicContact CB-CG1 3.96Å; C327-L377 WeakPolarHBondContact CA-O 3.31Å; C327-Q378 HydrophobicContact CB-CB 4.23Å
328I90.5Very high79.2Confident2 Ų252.8 Ų52.81%0.0129%0.291CS..EExtended strand (participates in β ladder)trans-144.1138.7179.5-166.7169.9000110.3L311 H324 T332 A333 R336 V376 L377L311-I328 HydrophobicContact CD2-CB 4Å; L311-I328 HydrophobicContact CD2-CG2 3.87Å; H324-I328 HydrophobicContact CB-CD1 4.39Å; I328-T332 HydrophobicContact CD1-CG2 3.87Å; I328-T332 HydrophobicContact CG1-CG2 4.06Å; I328-A333 HydrophobicContact CD1-CB 4.48Å; I328-A333 HydrophobicContact CG2-CB 4.1Å; I328-R336 HydrophobicContact CD1-CG 4.26Å; I328-V376 WeakPolarHBondContact O-CA 3.46Å; I328-V376 VanDerWaalsContact O-CG1 3.31Å; I328-V376 WeakPolarHBondContact O-CG1 3.37Å; I328-L377 HydrophobicContact CG2-CB 3.89Å; I328-L377 PolarHBondContact N-O 3.41Å; I328-L377 PolarHBondContact O-N 3.43Å
329D91.6Very high80.8Confident19 Ų1956 Ų5610%0.10230%0.297CS..EExtended strand (participates in β ladder)trans-68.3147.8174.163.4-72.5000111A331 T332 A333D329-A331 PolarHBondContact O-N 3.5Å; D329-T332 PolarHBondContact O-N 3.42Å; D329-T332 WeakPolarHBondContact OD1-CB 3.33Å; D329-T332 PolarHBondContact OD1-OG1 2.98Å; D329-T332 WeakPolarHBondContact OD2-CB 3.42Å; D329-T332 PolarHBondContact OD2-N 3.36Å; D329-T332 PolarHBondContact OD2-OG1 3.14Å; D329-A333 WeakPolarHBondContact O-CB 3.33Å; D329-A333 PolarHBondContact O-N 2.97Å
330L92.8Very high82.5Confident26 Ų2654.1 Ų54.114%0.13629%0.288CS..Hα-helixtrans-60.8-31.9-175.6-174.664.7000112.6A333 Y334 L351 L352 L375 L377L330-A333 PolarHBondContact O-N 3Å; L330-Y334 WeakPolarHBondContact O-CB 3.3Å; L330-Y334 PolarHBondContact O-N 2.91Å; L330-L351 HydrophobicContact CD1-CD2 4.1Å; L330-L352 HydrophobicContact CD2-CD1 3.75Å; L330-L375 HydrophobicContact CB-CB 4.03Å; L330-L375 WeakPolarHBondContact CB-O 3.4Å; L330-L375 HydrophobicContact CD2-CB 3.9Å; L330-L375 HydrophobicContact CD2-CD1 3.8Å; L330-L375 PolarHBondContact N-O 3.4Å; L330-L377 HydrophobicContact CD1-CD1 4.2Å; L330-L377 HydrophobicContact CD1-CG 4.35Å
331A92.6Very high84Confident67 Ų6753.7 Ų53.755%0.55427%0.273SS*.Hα-helixtrans-68.7-4617800000111.7D329 A333 Y334 C335D329-A331 PolarHBondContact O-N 3.5Å; A331-A333 VanDerWaalsContact C-N 3.33Å; A331-Y334 WeakPolarHBondContact O-CB 3.34Å; A331-Y334 PolarHBondContact O-N 2.96Å; A331-C335 PolarHBondContact O-N 2.82Å; A331-C335 VanDerWaalsContact O-N 3.1Å; A331-C335 PolarHBondContact O-SG 2.73Å; A331-C335 VanDerWaalsContact O-SG 3.4Å
332T91Very high85.4Confident39 Ų3954.1 Ų54.124%0.23929%0.287CS..Hα-helixtrans-65-40173.2-57.30000110.8I328 D329 Y334 C335 R336I328-T332 HydrophobicContact CD1-CG2 3.87Å; I328-T332 HydrophobicContact CG1-CG2 4.06Å; D329-T332 PolarHBondContact O-N 3.42Å; D329-T332 WeakPolarHBondContact OD1-CB 3.33Å; D329-T332 PolarHBondContact OD1-OG1 2.98Å; D329-T332 WeakPolarHBondContact OD2-CB 3.42Å; D329-T332 PolarHBondContact OD2-N 3.36Å; D329-T332 PolarHBondContact OD2-OG1 3.14Å; T332-Y334 VanDerWaalsContact C-N 3.32Å; T332-Y334 PolarHBondContact O-N 2.86Å; T332-C335 WeakPolarHBondContact O-CB 3.42Å; T332-C335 PolarHBondContact O-N 3.2Å; T332-R336 HydrophobicContact CG2-CG 4.22Å; T332-R336 VanDerWaalsContact O-CG 3.28Å; T332-R336 WeakPolarHBondContact O-CG 3.37Å; T332-R336 PolarHBondContact O-N 2.66Å
333A92.4Very high86.6Confident0 Ų056.5 Ų56.50%031%0.307CS..Hα-helixtrans-57.2-45174.300000111.9L307 I328 D329 L330 A331 C335 R336 V337 L377L307-A333 HydrophobicContact CD1-CB 3.95Å; L307-A333 HydrophobicContact CD2-CB 4.41Å; I328-A333 HydrophobicContact CD1-CB 4.48Å; I328-A333 HydrophobicContact CG2-CB 4.1Å; D329-A333 WeakPolarHBondContact O-CB 3.33Å; D329-A333 PolarHBondContact O-N 2.97Å; L330-A333 PolarHBondContact O-N 3Å; A331-A333 VanDerWaalsContact C-N 3.33Å; A333-C335 PolarHBondContact O-N 2.99Å; A333-R336 PolarHBondContact O-N 3.41Å; A333-V337 VanDerWaalsContact O-CG2 3.29Å; A333-V337 WeakPolarHBondContact O-CG2 3.47Å; A333-V337 PolarHBondContact O-N 2.84Å; A333-L377 HydrophobicContact CB-CD1 3.75Å
334Y94.7Very high87.9Confident71 Ų7158.4 Ų58.428%0.27832%0.317SS..Hα-helixtrans-55.6-49.3173.9171.6-98.4000112.2L330 A331 T332 R336 V337 N338 I346 P348 L351L330-Y334 WeakPolarHBondContact O-CB 3.3Å; L330-Y334 PolarHBondContact O-N 2.91Å; A331-Y334 WeakPolarHBondContact O-CB 3.34Å; A331-Y334 PolarHBondContact O-N 2.96Å; T332-Y334 VanDerWaalsContact C-N 3.32Å; T332-Y334 PolarHBondContact O-N 2.86Å; Y334-R336 VanDerWaalsContact C-N 3.34Å; Y334-R336 PolarHBondContact O-N 2.9Å; Y334-V337 PolarHBondContact O-N 2.63Å; Y334-N338 WeakPolarHBondContact CE2-ND2 3.47Å; Y334-N338 WeakPolarHBondContact O-CB 3.33Å; Y334-N338 PolarHBondContact O-N 2.84Å; Y334-N338 PolarHBondContact OH-ND2 3.09Å; Y334-I346 WeakPolarHBondContact CE2-O 3.37Å; Y334-I346 PolarHBondContact OH-O 3.39Å; Y334-P348 HydrophobicContact CD2-CG 4.47Å; Y334-P348 HydrophobicContact CE1-CG 4.48Å; Y334-P348 HydrophobicContact CE2-CB 4.22Å; Y334-P348 HydrophobicContact CE2-CG 3.78Å; Y334-L351 VanDerWaalsContact CA-CD2 3.47Å; Y334-L351 VanDerWaalsContact CB-CD2 3.5Å; Y334-L351 HydrophobicContact CD2-CB 4.43Å; Y334-L351 HydrophobicContact CD2-CD2 3.88Å; Y334-L351 HydrophobicContact CG-CD2 4.2Å
335C92.6Very high89.3Confident79 Ų7962.7 Ų62.753%0.53434%0.34SS..Hα-helixtrans-60.7-42.2177.2-68.10000112.2A331 T332 A333 R339A331-C335 PolarHBondContact O-N 2.82Å; A331-C335 VanDerWaalsContact O-N 3.1Å; A331-C335 PolarHBondContact O-SG 2.73Å; A331-C335 VanDerWaalsContact O-SG 3.4Å; T332-C335 WeakPolarHBondContact O-CB 3.42Å; T332-C335 PolarHBondContact O-N 3.2Å; A333-C335 PolarHBondContact O-N 2.99Å; C335-R339 WeakPolarHBondContact O-CB 3.14Å; C335-R339 PolarHBondContact O-N 3.05Å
336R90.9Very high90.2Very high68 Ų6858.5 Ų58.526%0.25732%0.318SS..Hα-helixtrans-67.5-44-180-66.7-64.4-176.2151.18.7112.1L307 L310 D321 H324 I328 T332 A333 Y334 R339 A340L307-R336 HydrophobicContact CD2-CB 4.31Å; L310-R336 HydrophobicContact CD1-CB 4.4Å; D321-R336 IonicContact OD1-CZ 2.86Å; D321-R336 IonicContact OD1-NH1 3.54Å; D321-R336 PolarHBondContact OD1-NH1 3.44Å; D321-R336 IonicContact OD1-NH2 3.63Å; D321-R336 PolarHBondContact OD1-NH2 3.28Å; D321-R336 IonicContact OD2-NH1 2.62Å; H324-R336 PolarHBondContact CD2-NH2 3.39Å; H324-R336 PolarHBondContact NE2-NH2 3.27Å; H324-R336 VanDerWaalsContact NE2-NH2 3.1Å; I328-R336 HydrophobicContact CD1-CG 4.26Å; T332-R336 HydrophobicContact CG2-CG 4.22Å; T332-R336 VanDerWaalsContact O-CG 3.28Å; T332-R336 WeakPolarHBondContact O-CG 3.37Å; T332-R336 PolarHBondContact O-N 2.66Å; A333-R336 PolarHBondContact O-N 3.41Å; Y334-R336 VanDerWaalsContact C-N 3.34Å; Y334-R336 PolarHBondContact O-N 2.9Å; R336-R339 PolarHBondContact O-N 3.11Å; R336-A340 WeakPolarHBondContact O-CB 3.24Å; R336-A340 PolarHBondContact O-N 2.98Å
337V93.1Very high90.7Very high2 Ų260.1 Ų60.11%0.01233%0.328CS..Hα-helixtrans-64.7-47.1178.8174.50000110.8V303 I306 L307 A333 Y334 R339 A340 R341 I346V303-V337 HydrophobicContact CG1-CG2 4.38Å; V303-V337 HydrophobicContact CG2-CG1 4.39Å; V303-V337 HydrophobicContact CG2-CG2 4.49Å; I306-V337 HydrophobicContact CD1-CG1 4.29Å; I306-V337 HydrophobicContact CG2-CG2 4.47Å; L307-V337 HydrophobicContact CD1-CG2 4.28Å; L307-V337 HydrophobicContact CD2-CG2 4.05Å; L307-V337 HydrophobicContact CG-CG2 4.07Å; A333-V337 VanDerWaalsContact O-CG2 3.29Å; A333-V337 WeakPolarHBondContact O-CG2 3.47Å; A333-V337 PolarHBondContact O-N 2.84Å; Y334-V337 PolarHBondContact O-N 2.63Å; V337-R339 VanDerWaalsContact C-N 3.33Å; V337-R339 PolarHBondContact O-N 2.94Å; V337-A340 PolarHBondContact O-N 3.3Å; V337-A340 VanDerWaalsContact O-N 3.13Å; V337-R341 WeakPolarHBondContact O-CG 3.47Å; V337-R341 PolarHBondContact O-N 3.12Å; V337-I346 HydrophobicContact CG1-CD1 3.54Å
338N94.5Very high91Very high14 Ų1463 Ų638%0.07535%0.347CS..Hα-helixtrans-66.4-36.4178.7-84.2-11000112.3Y334 A340 R341 G342 L345 I346Y334-N338 WeakPolarHBondContact CE2-ND2 3.47Å; Y334-N338 WeakPolarHBondContact O-CB 3.33Å; Y334-N338 PolarHBondContact O-N 2.84Å; Y334-N338 PolarHBondContact OH-ND2 3.09Å; N338-A340 VanDerWaalsContact C-N 3.3Å; N338-A340 PolarHBondContact O-N 2.87Å; N338-R341 PolarHBondContact O-N 3.03Å; N338-G342 PolarHBondContact O-N 2.86Å; N338-G342 VanDerWaalsContact O-N 3.12Å; N338-L345 HydrophobicContact CB-CD2 3.87Å; N338-I346 PolarHBondContact ND2-O 3.03Å; N338-I346 PolarHBondContact OD1-N 3.01Å
339R91.5Very high90.9Very high214 Ų21467.4 Ų67.481%0.80837%0.368SS*.Hα-helixtrans-62.5-36.6172-171.9178.5-178.3103.40.5112.3C335 R336 V337C335-R339 WeakPolarHBondContact O-CB 3.14Å; C335-R339 PolarHBondContact O-N 3.05Å; R336-R339 PolarHBondContact O-N 3.11Å; V337-R339 VanDerWaalsContact C-N 3.33Å; V337-R339 PolarHBondContact O-N 2.94Å
340A89.6Confident90.9Very high65 Ų6568.2 Ų68.254%0.53737%0.372SS..Hα-helixtrans-73.7-29.4176.500000113.1I306 R336 V337 N338I306-A340 HydrophobicContact CD1-CB 4.28Å; I306-A340 HydrophobicContact CG2-CB 3.84Å; R336-A340 WeakPolarHBondContact O-CB 3.24Å; R336-A340 PolarHBondContact O-N 2.98Å; V337-A340 PolarHBondContact O-N 3.3Å; V337-A340 VanDerWaalsContact O-N 3.13Å; N338-A340 VanDerWaalsContact C-N 3.3Å; N338-A340 PolarHBondContact O-N 2.87Å
341R87.5Confident90.9Very high57 Ų5767.1 Ų67.122%0.21537%0.366CS..Hα-helixtrans-80.8-26179.9-73.7178.558.5142.2-10.7114.2L299 V337 N338 M343 D344 I346L299-R341 VanDerWaalsContact CD1-NH1 3.29Å; V337-R341 WeakPolarHBondContact O-CG 3.47Å; V337-R341 PolarHBondContact O-N 3.12Å; N338-R341 PolarHBondContact O-N 3.03Å; R341-M343 PolarHBondContact O-N 3.3Å; R341-M343 VanDerWaalsContact O-N 3.11Å; R341-D344 WeakPolarHBondContact CB-O 3.34Å; R341-D344 IonicContact CZ-OD2 2.75Å; R341-D344 PolarHBondContact NE-O 3.44Å; R341-D344 PolarHBondContact NH2-O 2.97Å; R341-D344 IonicContact NH2-OD1 3.47Å; R341-D344 PolarHBondContact NH2-OD1 3.39Å; R341-D344 IonicContact NH2-OD2 3.88Å; R341-D344 PolarHBondContact NH2-OD2 3.02Å; R341-I346 VanDerWaalsContact CD-CD1 3.43Å; R341-I346 VanDerWaalsContact NH1-CD1 3.31Å
342G86.2Confident90.9Very high50 Ų5065.2 Ų65.252%0.51535%0.347SS..THydrogen-bonded Turntrans75.9-95.8176.100000113.1N338 L345N338-G342 PolarHBondContact O-N 2.86Å; N338-G342 VanDerWaalsContact O-N 3.12Å; G342-L345 WeakPolarHBondContact O-CD2 3.04Å
343M85.2Confident90.9Very high192 Ų19266.3 Ų66.395%0.94635%0.346SS*.THydrogen-bonded Turntrans-92.3-30.7-174.6-67.7-173.6-77.300113.7R341 L345R341-M343 PolarHBondContact O-N 3.3Å; R341-M343 VanDerWaalsContact O-N 3.11Å; M343-L345 PolarHBondContact O-N 3.47Å; M343-L345 VanDerWaalsContact O-N 3.17Å
344D86.4Confident90.9Very high111 Ų11166.3 Ų66.359%0.59435%0.346SS*.SBendtrans-88.978.1-178.7-1769000109.6R341R341-D344 WeakPolarHBondContact CB-O 3.34Å; R341-D344 IonicContact CZ-OD2 2.75Å; R341-D344 PolarHBondContact NE-O 3.44Å; R341-D344 PolarHBondContact NH2-O 2.97Å; R341-D344 IonicContact NH2-OD1 3.47Å; R341-D344 PolarHBondContact NH2-OD1 3.39Å; R341-D344 IonicContact NH2-OD2 3.88Å; R341-D344 PolarHBondContact NH2-OD2 3.02Å
345L91.8Very high90.8Very high111 Ų11162.9 Ų62.958%0.58133%0.333SS*.PPolyproline II helixtrans-76.1143.8-174.6-59.9175.6000112.2N338 G342 M343N338-L345 HydrophobicContact CB-CD2 3.87Å; G342-L345 WeakPolarHBondContact O-CD2 3.04Å; M343-L345 PolarHBondContact O-N 3.47Å; M343-L345 VanDerWaalsContact O-N 3.17Å
346I91.8Very high90.8Very high9 Ų965.5 Ų65.55%0.04633%0.331CS..PPolyproline II helixtrans-95.3144.1173.8-51.8164.1000108.9L299 Y334 V337 N338 R341 D350 L351L299-I346 HydrophobicContact CD1-CD1 3.63Å; L299-I346 HydrophobicContact CD1-CG1 4.23Å; L299-I346 HydrophobicContact CD2-CG2 4Å; L299-I346 HydrophobicContact CG-CD1 4.46Å; Y334-I346 WeakPolarHBondContact CE2-O 3.37Å; Y334-I346 PolarHBondContact OH-O 3.39Å; V337-I346 HydrophobicContact CG1-CD1 3.54Å; N338-I346 PolarHBondContact ND2-O 3.03Å; N338-I346 PolarHBondContact OD1-N 3.01Å; R341-I346 VanDerWaalsContact CD-CD1 3.43Å; R341-I346 VanDerWaalsContact NH1-CD1 3.31Å; I346-D350 HydrophobicContact CG2-CB 3.59Å; I346-L351 HydrophobicContact CG2-CB 4.34Å
347S91.2Very high90.7Very high43 Ų4364.3 Ų64.330%0.30133%0.327SS..PPolyproline II helixtrans-73.8153.6169.579.70000112.3E349 D350 L351S347-E349 PolarHBondContact O-N 3.4Å; S347-D350 PolarHBondContact O-N 3.32Å; S347-D350 WeakPolarHBondContact OG-CB 3.42Å; S347-D350 PolarHBondContact OG-N 2.98Å; S347-D350 VanDerWaalsContact OG-N 3.12Å; S347-D350 PolarHBondContact OG-OD2 2.92Å; S347-L351 PolarHBondContact O-N 2.8Å; S347-L351 VanDerWaalsContact O-N 3.11Å
348P93Very high90.6Very high84 Ų8464.2 Ų64.255%0.54533%0.327SS..Hα-helixtrans-57.1-36.7177.2-25.333.8000113.3Y334 L351 L352Y334-P348 HydrophobicContact CD2-CG 4.47Å; Y334-P348 HydrophobicContact CE1-CG 4.48Å; Y334-P348 HydrophobicContact CE2-CB 4.22Å; Y334-P348 HydrophobicContact CE2-CG 3.78Å; P348-L351 PolarHBondContact O-N 2.92Å; P348-L352 PolarHBondContact O-N 2.95Å
349E89.1Confident90.3Very high95 Ų9566.9 Ų66.944%0.44434%0.341SS..Hα-helixtrans-73.8-35-178.6-172.256.4-144.900112.3S347 R353S347-E349 PolarHBondContact O-N 3.4Å; E349-R353 WeakPolarHBondContact O-CB 3.04Å; E349-R353 WeakPolarHBondContact O-CG 3.41Å; E349-R353 PolarHBondContact O-N 3.39Å; E349-R353 PolarHBondContact O-NE 3.05Å; E349-R353 IonicContact OE1-NE 3.81Å
350D91.2Very high90.1Very high36 Ų3663.3 Ų63.319%0.19333%0.331CS..Hα-helixtrans-67.4-40.4173.7-67.3-38.2000111.5Y296 L299 I346 S347 R353 A354Y296-D350 HydrophobicContact CE1-CB 4.37Å; L299-D350 HydrophobicContact CD2-CB 4.28Å; I346-D350 HydrophobicContact CG2-CB 3.59Å; S347-D350 PolarHBondContact O-N 3.32Å; S347-D350 WeakPolarHBondContact OG-CB 3.42Å; S347-D350 PolarHBondContact OG-N 2.98Å; S347-D350 VanDerWaalsContact OG-N 3.12Å; S347-D350 PolarHBondContact OG-OD2 2.92Å; D350-R353 PolarHBondContact O-N 2.97Å; D350-R353 IonicContact OD1-CZ 3.83Å; D350-R353 IonicContact OD1-NE 4Å; D350-R353 IonicContact OD1-NH2 3.35Å; D350-R353 PolarHBondContact OD1-NH2 3.13Å; D350-A354 WeakPolarHBondContact O-CB 3.47Å; D350-A354 PolarHBondContact O-N 2.82Å
351L93.4Very high90.1Very high2 Ų264 Ų641%0.0132%0.323CS..Hα-helixtrans-61.3-49.1174.8-176.374.5000110.6V303 L330 Y334 I346 S347 P348 R353 A354 C355V303-L351 HydrophobicContact CG1-CD1 4.21Å; V303-L351 HydrophobicContact CG2-CD1 3.54Å; L330-L351 HydrophobicContact CD1-CD2 4.1Å; Y334-L351 VanDerWaalsContact CA-CD2 3.47Å; Y334-L351 VanDerWaalsContact CB-CD2 3.5Å; Y334-L351 HydrophobicContact CD2-CB 4.43Å; Y334-L351 HydrophobicContact CD2-CD2 3.88Å; Y334-L351 HydrophobicContact CG-CD2 4.2Å; I346-L351 HydrophobicContact CG2-CB 4.34Å; S347-L351 PolarHBondContact O-N 2.8Å; S347-L351 VanDerWaalsContact O-N 3.11Å; P348-L351 PolarHBondContact O-N 2.92Å; L351-R353 VanDerWaalsContact C-N 3.33Å; L351-R353 PolarHBondContact O-N 2.9Å; L351-A354 PolarHBondContact O-N 3.16Å; L351-C355 WeakPolarHBondContact O-CB 3.39Å; L351-C355 PolarHBondContact O-N 3.5Å; L351-C355 PolarHBondContact O-SG 2.83Å
352L92.9Very high90.1Very high28 Ų2868.4 Ų68.415%0.14735%0.351CS..Hα-helixtrans-59-44.9179177.863.1000111.6L330 P348 C355 R356 L375L330-L352 HydrophobicContact CD2-CD1 3.75Å; P348-L352 PolarHBondContact O-N 2.95Å; L352-C355 PolarHBondContact O-N 3.44Å; L352-R356 PolarHBondContact O-N 3.01Å; L352-L375 HydrophobicContact CD1-CD1 3.57Å
353R90.7Very high90.3Very high61 Ų6167 Ų6723%0.2333%0.332CS..Hα-helixtrans-62.2-43176.6-76.8-178.8-72.5-176.10.6111.9Y296 E349 D350 L351 R356 Y357Y296-R353 HydrophobicContact CD1-CB 3.86Å; Y296-R353 HydrophobicContact CE1-CB 3.85Å; Y296-R353 HydrophobicContact CG-CB 4.35Å; Y296-R353 PolarHBondContact OH-NE 2.93Å; Y296-R353 PolarHBondContact OH-NH1 2.86Å; Y296-R353 PolarHBondContact OH-NH2 3.38Å; E349-R353 WeakPolarHBondContact O-CB 3.04Å; E349-R353 WeakPolarHBondContact O-CG 3.41Å; E349-R353 PolarHBondContact O-N 3.39Å; E349-R353 PolarHBondContact O-NE 3.05Å; E349-R353 IonicContact OE1-NE 3.81Å; D350-R353 PolarHBondContact O-N 2.97Å; D350-R353 IonicContact OD1-CZ 3.83Å; D350-R353 IonicContact OD1-NE 4Å; D350-R353 IonicContact OD1-NH2 3.35Å; D350-R353 PolarHBondContact OD1-NH2 3.13Å; L351-R353 VanDerWaalsContact C-N 3.33Å; L351-R353 PolarHBondContact O-N 2.9Å; R353-R356 PolarHBondContact O-N 3.21Å; R353-Y357 WeakPolarHBondContact O-CD2 3.37Å
354A92.1Very high90.6Very high0 Ų060.3 Ų60.30%030%0.302CS..Hα-helixtrans-63-41.9174.400000112.3L299 A300 D350 L351 R356 Y357L299-A354 HydrophobicContact CB-CB 3.87Å; L299-A354 HydrophobicContact CD2-CB 3.79Å; L299-A354 HydrophobicContact CG-CB 3.72Å; A300-A354 HydrophobicContact CB-CB 4.49Å; A300-A354 WeakPolarHBondContact CB-O 3.41Å; D350-A354 WeakPolarHBondContact O-CB 3.47Å; D350-A354 PolarHBondContact O-N 2.82Å; L351-A354 PolarHBondContact O-N 3.16Å; A354-R356 PolarHBondContact O-N 2.91Å; A354-Y357 WeakPolarHBondContact O-CB 3.35Å; A354-Y357 PolarHBondContact O-N 2.89Å
355C92.9Very high90.9Very high0 Ų055 Ų550%027%0.274CS..Hα-helixtrans-59.9-30.6178.1-72.40000112.9L351 L352 Y357 L358 L367 L377L351-C355 WeakPolarHBondContact O-CB 3.39Å; L351-C355 PolarHBondContact O-N 3.5Å; L351-C355 PolarHBondContact O-SG 2.83Å; L352-C355 PolarHBondContact O-N 3.44Å; C355-Y357 PolarHBondContact O-N 3.06Å; C355-L358 HydrophobicContact CB-CD1 4.07Å; C355-L358 VanDerWaalsContact O-CB 3.27Å; C355-L358 WeakPolarHBondContact O-CB 3.34Å; C355-L358 WeakPolarHBondContact O-CG 3.34Å; C355-L358 PolarHBondContact O-N 2.98Å; C355-L358 VanDerWaalsContact O-N 3.16Å; C355-L367 HydrophobicContact CB-CD1 4.35Å; C355-L367 HydrophobicContact CB-CD2 4.1Å; C355-L377 HydrophobicContact CB-CD2 4.29Å
356R91.4Very high90.9Very high134 Ų13455 Ų5551%0.50627%0.267SS..Hα-helixtrans-68.5-18.2173.7-67.4176.8179.8148.92.1114.1L352 R353 A354 L367L352-R356 PolarHBondContact O-N 3.01Å; R353-R356 PolarHBondContact O-N 3.21Å; A354-R356 PolarHBondContact O-N 2.91Å; R356-L367 HydrophobicContact CG-CD2 4.21Å
357Y90.1Very high90.9Very high42 Ų4256.2 Ų56.217%0.16527%0.273CS..Hα-helixtrans-87.5-13.4173.1-70.7-86.9000112.6T293 Y296 I297 R353 A354 C355 D359 K360 E361T293-Y357 HydrophobicContact CG2-CE1 4.19Å; T293-Y357 WeakPolarHBondContact CG2-OH 3.35Å; Y296-Y357 HydrophobicContact CD2-CE2 4.29Å; Y296-Y357 HydrophobicContact CG-CE2 4.21Å; I297-Y357 HydrophobicContact CG1-CD1 3.85Å; I297-Y357 HydrophobicContact CG1-CE1 4.31Å; I297-Y357 HydrophobicContact CG1-CG 4.26Å; R353-Y357 WeakPolarHBondContact O-CD2 3.37Å; A354-Y357 WeakPolarHBondContact O-CB 3.35Å; A354-Y357 PolarHBondContact O-N 2.89Å; C355-Y357 PolarHBondContact O-N 3.06Å; Y357-D359 VanDerWaalsContact C-N 3.3Å; Y357-D359 PolarHBondContact O-N 3.09Å; Y357-K360 HydrophobicContact CD1-CD 3.98Å; Y357-K360 HydrophobicContact CE1-CD 4.31Å; Y357-K360 PolarHBondContact O-N 2.83Å; Y357-K360 VanDerWaalsContact O-N 3.1Å; Y357-E361 WeakPolarHBondContact O-CG 3.38Å; Y357-E361 PolarHBondContact O-N 2.84Å
358L90.6Very high90.9Very high1 Ų155.3 Ų55.31%0.00526%0.264CS..Hα-helixtrans-57.6-44.3177.8-67.7171.3000111.8A300 C355 K360 N362 L363 I365 L377A300-L358 HydrophobicContact CB-CD2 4.01Å; A300-L358 HydrophobicContact CB-CG 4.4Å; A300-L358 WeakPolarHBondContact O-CD2 3.1Å; C355-L358 HydrophobicContact CB-CD1 4.07Å; C355-L358 VanDerWaalsContact O-CB 3.27Å; C355-L358 WeakPolarHBondContact O-CB 3.34Å; C355-L358 WeakPolarHBondContact O-CG 3.34Å; C355-L358 PolarHBondContact O-N 2.98Å; C355-L358 VanDerWaalsContact O-N 3.16Å; L358-K360 VanDerWaalsContact C-N 3.33Å; L358-N362 PolarHBondContact O-N 3.24Å; L358-L363 HydrophobicContact CD2-CB 4.14Å; L358-L363 HydrophobicContact CD2-CD1 3.6Å; L358-L363 PolarHBondContact O-N 3.32Å; L358-L363 VanDerWaalsContact O-N 3.16Å; L358-I365 WeakPolarHBondContact CB-O 3.35Å; L358-I365 HydrophobicContact CD1-CG2 4.4Å; L358-L377 HydrophobicContact CD1-CD2 3.79Å
359D87.5Confident90.7Very high70 Ų7053.7 Ų53.737%0.37426%0.262SS..THydrogen-bonded Turntrans-69.7-32.3178.2-57.8-37.2000112Y357 R366 L367Y357-D359 VanDerWaalsContact C-N 3.3Å; Y357-D359 PolarHBondContact O-N 3.09Å; D359-R366 VanDerWaalsContact OD1-CA 3.28Å; D359-R366 WeakPolarHBondContact OD1-CA 2.96Å; D359-R366 VanDerWaalsContact OD1-CB 3.28Å; D359-R366 WeakPolarHBondContact OD1-CB 3.48Å; D359-L367 PolarHBondContact OD1-N 3.21Å
360K88.1Confident90.6Very high138 Ų13851.2 Ų51.260%0.625%0.249SC*.THydrogen-bonded Turntrans-74.2-37.8-179.4-65-178.2-178.8177.80112.5Y357 L358 N362Y357-K360 HydrophobicContact CD1-CD 3.98Å; Y357-K360 HydrophobicContact CE1-CD 4.31Å; Y357-K360 PolarHBondContact O-N 2.83Å; Y357-K360 VanDerWaalsContact O-N 3.1Å; L358-K360 VanDerWaalsContact C-N 3.33Å; K360-N362 VanDerWaalsContact C-N 3.29Å; K360-N362 PolarHBondContact O-N 3.27Å
361E88.8Confident90.2Very high79 Ų7953.6 Ų53.637%0.36927%0.274SS..THydrogen-bonded Turntrans-876-179.4-63.2-61.5142.900112.9I297 Y357 L363I297-E361 HydrophobicContact CG2-CG 4.19Å; Y357-E361 WeakPolarHBondContact O-CG 3.38Å; Y357-E361 PolarHBondContact O-N 2.84Å; E361-L363 HydrophobicContact CB-CD1 4.12Å; E361-L363 HydrophobicContact CB-CG 4.04Å; E361-L363 PolarHBondContact O-N 3.41Å
362N87.7Confident89.6Confident150 Ų15058.2 Ų58.280%0.80230%0.298SS*.THydrogen-bonded Turntrans5141.7-177.3-65.8-55.4000113.4L358 K360L358-N362 PolarHBondContact O-N 3.24Å; K360-N362 VanDerWaalsContact C-N 3.29Å; K360-N362 PolarHBondContact O-N 3.27Å
363L90.6Very high89.4Confident22 Ų2259.8 Ų59.812%0.11532%0.321CS..  trans-73.7158.5178.2-73.6170.9000111A300 L358 E361 I365A300-L363 HydrophobicContact CB-CD1 4.2Å; L358-L363 HydrophobicContact CD2-CB 4.14Å; L358-L363 HydrophobicContact CD2-CD1 3.6Å; L358-L363 PolarHBondContact O-N 3.32Å; L358-L363 VanDerWaalsContact O-N 3.16Å; E361-L363 HydrophobicContact CB-CD1 4.12Å; E361-L363 HydrophobicContact CB-CG 4.04Å; E361-L363 PolarHBondContact O-N 3.41Å; L363-I365 PolarHBondContact O-N 3.45Å
364P91.1Very high89.4Confident50 Ų5058.7 Ų58.733%0.32532%0.32SS..SBendtrans-681.9-176.328.5-37.6000114.2S304 F308 L379 A380S304-P364 WeakPolarHBondContact OG-CD 3.38Å; S304-P364 WeakPolarHBondContact OG-CG 3.45Å; F308-P364 HydrophobicContact CD2-CB 3.58Å; F308-P364 HydrophobicContact CD2-CG 3.59Å; F308-P364 HydrophobicContact CE2-CB 3.57Å; F308-P364 HydrophobicContact CE2-CG 3.97Å; F308-P364 HydrophobicContact CG-CG 4.23Å; P364-L379 WeakPolarHBondContact O-CD1 3.27Å; P364-A380 WeakPolarHBondContact O-CB 3.14Å; P364-A380 PolarHBondContact O-N 3.45Å
365I92.2Very high89.4Confident0 Ų061.5 Ų61.50%034%0.335CS..EExtended strand (participates in β ladder)trans-125.5137.5179.1-54.4-178.6000107.4L307 F308 L311 L358 L363 L377 Q378L307-I365 HydrophobicContact CB-CD1 3.57Å; F308-I365 HydrophobicContact CB-CD1 4.29Å; L311-I365 HydrophobicContact CD1-CD1 3.85Å; L311-I365 HydrophobicContact CD1-CG1 4.04Å; L311-I365 HydrophobicContact CD1-CG2 4.12Å; L358-I365 WeakPolarHBondContact CB-O 3.35Å; L358-I365 HydrophobicContact CD1-CG2 4.4Å; L363-I365 PolarHBondContact O-N 3.45Å; I365-L377 HydrophobicContact CG2-CB 3.86Å; I365-L377 HydrophobicContact CG2-CD2 4.26Å; I365-Q378 CarbonylContact C-O 3.49Å; I365-Q378 WeakPolarHBondContact CA-O 3.44Å
366R92.2Very high89.4Confident112 Ų11261.5 Ų61.542%0.42334%0.335SS..EExtended strand (participates in β ladder)trans-119.2148.9178.5-59.3-169.2-131.2174.45111.3D359 L377 Q378 A380D359-R366 VanDerWaalsContact OD1-CA 3.28Å; D359-R366 WeakPolarHBondContact OD1-CA 2.96Å; D359-R366 VanDerWaalsContact OD1-CB 3.28Å; D359-R366 WeakPolarHBondContact OD1-CB 3.48Å; R366-L377 WeakPolarHBondContact O-CA 3.48Å; R366-Q378 HydrophobicContact CB-CG 4.48Å; R366-Q378 PolarHBondContact N-O 3.34Å; R366-Q378 PolarHBondContact O-N 3.01Å; R366-A380 HydrophobicContact CG-CB 4Å; R366-A380 PolarHBondContact NH2-O 3.16Å
367L93Very high89.4Confident33 Ų3355.1 Ų55.117%0.17331%0.311CS..EExtended strand (participates in β ladder)trans-92121175.118067.6000109.7C355 R356 D359 L375 L377C355-L367 HydrophobicContact CB-CD1 4.35Å; C355-L367 HydrophobicContact CB-CD2 4.1Å; R356-L367 HydrophobicContact CG-CD2 4.21Å; D359-L367 PolarHBondContact OD1-N 3.21Å; L367-L375 HydrophobicContact CD1-CB 4.3Å; L367-L377 HydrophobicContact CB-CD2 4.11Å; L367-L377 HydrophobicContact CD1-CD2 3.72Å; L367-L377 HydrophobicContact CD1-CG 4.5Å
368K89.8Confident89.5Confident25 Ų2554.5 Ų54.511%0.10931%0.309CS..EExtended strand (participates in β ladder)trans-114.6138.6176.9-179.1174.1174.51700110.8Y370 L375 V376 E384K368-Y370 HydrophobicContact CD-CE2 4.26Å; K368-Y370 HydrophobicContact CG-CE2 4.47Å; K368-L375 CarbonylContact O-C 3.56Å; K368-L375 WeakPolarHBondContact O-CA 3.35Å; K368-V376 PolarHBondContact N-O 3.02Å; K368-V376 PolarHBondContact O-N 3.29Å; K368-E384 IonicContact NZ-OE1 2.81Å; K368-E384 PolarHBondContact NZ-OE1 3.11Å; K368-E384 IonicContact NZ-OE2 3.71Å; K368-E384 PolarHBondContact NZ-OE2 3.07Å
369G90.3Very high89.5Confident49 Ų4955.3 Ų55.351%0.50531%0.314SS..EExtended strand (participates in β ladder)trans-108.9138168.300000111.4L374G369-L374 WeakPolarHBondContact CA-O 3.36Å
370Y87.1Confident89.5Confident43 Ų4353.2 Ų53.217%0.16931%0.306CS..  trans-95.4159.4170-72.8-95.2000110.6K368 N372 G373 L374 V376 A419 A423K368-Y370 HydrophobicContact CD-CE2 4.26Å; K368-Y370 HydrophobicContact CG-CE2 4.47Å; Y370-N372 VanDerWaalsContact CB-OD1 3.24Å; Y370-N372 WeakPolarHBondContact CB-OD1 3.38Å; Y370-N372 PolarHBondContact O-N 3.39Å; Y370-N372 VanDerWaalsContact O-N 3.12Å; Y370-G373 PolarHBondContact O-N 2.72Å; Y370-L374 HydrophobicContact CD2-CD2 4.4Å; Y370-L374 PolarHBondContact N-O 2.87Å; Y370-V376 HydrophobicContact CD2-CB 4.5Å; Y370-V376 HydrophobicContact CD2-CG2 3.8Å; Y370-V376 HydrophobicContact CE2-CB 3.97Å; Y370-V376 HydrophobicContact CE2-CG2 3.51Å; Y370-A419 HydrophobicContact CD1-CB 3.93Å; Y370-A419 HydrophobicContact CD2-CB 4.47Å; Y370-A419 HydrophobicContact CE1-CB 4.01Å; Y370-A419 HydrophobicContact CG-CB 4.16Å; Y370-A423 HydrophobicContact CE1-CB 4.26Å
371A82.2Confident89.4Confident87 Ų8750.8 Ų50.872%0.71931%0.306SS*.THydrogen-bonded Turntrans-58.9-26.5-177.800000113.9G373A371-G373 PolarHBondContact O-N 3.29Å
372N81.2Confident89Confident98 Ų9850.8 Ų50.852%0.52431%0.306SS..THydrogen-bonded Turntrans-77.61.6175.665.6-1.2000114.3Y370 L374Y370-N372 VanDerWaalsContact CB-OD1 3.24Å; Y370-N372 WeakPolarHBondContact CB-OD1 3.38Å; Y370-N372 PolarHBondContact O-N 3.39Å; Y370-N372 VanDerWaalsContact O-N 3.12Å; N372-L374 WeakPolarHBondContact OD1-CB 3.16Å; N372-L374 PolarHBondContact OD1-N 3.03Å
373G87.8Confident88.8Confident62 Ų6247.9 Ų47.964%0.63929%0.29SS*.SBendtrans85.12.3-176.600000114.9Y370 A371 L375Y370-G373 PolarHBondContact O-N 2.72Å; A371-G373 PolarHBondContact O-N 3.29Å; G373-L375 PolarHBondContact O-N 3.09Å
374L90.1Very high88.6Confident38 Ų3850.7 Ų50.720%0.19930%0.303CS..  trans-70.2127175-177.170.7000110.3G369 Y370 N372 V376 V415 L416 A419G369-L374 WeakPolarHBondContact CA-O 3.36Å; Y370-L374 HydrophobicContact CD2-CD2 4.4Å; Y370-L374 PolarHBondContact N-O 2.87Å; N372-L374 WeakPolarHBondContact OD1-CB 3.16Å; N372-L374 PolarHBondContact OD1-N 3.03Å; L374-V376 HydrophobicContact CD2-CG2 3.88Å; L374-V376 HydrophobicContact CG-CG2 3.88Å; L374-V415 HydrophobicContact CD1-CG1 4Å; L374-V415 HydrophobicContact CD2-CG1 3.86Å; L374-L416 HydrophobicContact CD2-CD2 4.2Å; L374-A419 HydrophobicContact CD2-CB 3.87Å
375L92.8Very high88.4Confident59 Ų5953.8 Ų53.831%0.30932%0.316SS..EExtended strand (participates in β ladder)trans-101.1132.1173.6-62.6176.7000110.4L330 L352 L367 K368 G373L330-L375 HydrophobicContact CB-CB 4.03Å; L330-L375 WeakPolarHBondContact CB-O 3.4Å; L330-L375 HydrophobicContact CD2-CB 3.9Å; L330-L375 HydrophobicContact CD2-CD1 3.8Å; L330-L375 PolarHBondContact N-O 3.4Å; L352-L375 HydrophobicContact CD1-CD1 3.57Å; L367-L375 HydrophobicContact CD1-CB 4.3Å; K368-L375 CarbonylContact O-C 3.56Å; K368-L375 WeakPolarHBondContact O-CA 3.35Å; G373-L375 PolarHBondContact O-N 3.09Å
376V92.2Very high88.2Confident0 Ų059.8 Ų59.80%034%0.344CS..EExtended strand (participates in β ladder)trans-133.7140.6-173.9-179.20000109.3C327 I328 K368 Y370 L374 L416C327-V376 HydrophobicContact CB-CG1 3.96Å; I328-V376 WeakPolarHBondContact O-CA 3.46Å; I328-V376 VanDerWaalsContact O-CG1 3.31Å; I328-V376 WeakPolarHBondContact O-CG1 3.37Å; K368-V376 PolarHBondContact N-O 3.02Å; K368-V376 PolarHBondContact O-N 3.29Å; Y370-V376 HydrophobicContact CD2-CB 4.5Å; Y370-V376 HydrophobicContact CD2-CG2 3.8Å; Y370-V376 HydrophobicContact CE2-CB 3.97Å; Y370-V376 HydrophobicContact CE2-CG2 3.51Å; L374-V376 HydrophobicContact CD2-CG2 3.88Å; L374-V376 HydrophobicContact CG-CG2 3.88Å; V376-L416 HydrophobicContact CB-CD2 4.29Å; V376-L416 HydrophobicContact CG1-CD2 3.78Å; V376-L416 HydrophobicContact CG2-CD2 3.43Å; V376-L416 VanDerWaalsContact CG2-CD2 3.43Å
377L92.2Very high88Confident0 Ų055.6 Ų55.60%033%0.33CS..EExtended strand (participates in β ladder)trans-99.4122.7170.3-65.4175.4000108.4L307 C327 I328 L330 A333 C355 L358 I365 R366 L367L307-L377 HydrophobicContact CD1-CD1 3.48Å; L307-L377 VanDerWaalsContact CD1-CD1 3.48Å; C327-L377 WeakPolarHBondContact CA-O 3.31Å; I328-L377 HydrophobicContact CG2-CB 3.89Å; I328-L377 PolarHBondContact N-O 3.41Å; I328-L377 PolarHBondContact O-N 3.43Å; L330-L377 HydrophobicContact CD1-CD1 4.2Å; L330-L377 HydrophobicContact CD1-CG 4.35Å; A333-L377 HydrophobicContact CB-CD1 3.75Å; C355-L377 HydrophobicContact CB-CD2 4.29Å; L358-L377 HydrophobicContact CD1-CD2 3.79Å; I365-L377 HydrophobicContact CG2-CB 3.86Å; I365-L377 HydrophobicContact CG2-CD2 4.26Å; R366-L377 WeakPolarHBondContact O-CA 3.48Å; L367-L377 HydrophobicContact CB-CD2 4.11Å; L367-L377 HydrophobicContact CD1-CD2 3.72Å; L367-L377 HydrophobicContact CD1-CG 4.5Å
378Q91.3Very high87.9Confident28 Ų2854.8 Ų54.813%0.13133%0.326CS..EExtended strand (participates in β ladder)trans-122.3153.1-179.568.5-177.217.600110.9G326 C327 I365 R366G326-Q378 WeakPolarHBondContact O-CA 3.22Å; C327-Q378 HydrophobicContact CB-CB 4.23Å; I365-Q378 CarbonylContact C-O 3.49Å; I365-Q378 WeakPolarHBondContact CA-O 3.44Å; R366-Q378 HydrophobicContact CB-CG 4.48Å; R366-Q378 PolarHBondContact N-O 3.34Å; R366-Q378 PolarHBondContact O-N 3.01Å
379L90.8Very high88.1Confident19 Ų1959.4 Ų59.410%0.09935%0.347CS..EExtended strand (participates in β ladder)trans-64.9138.1173.9-162.967.1000109.9F308 G326 P364 S381 E382F308-L379 HydrophobicContact CD2-CD1 3.71Å; F308-L379 HydrophobicContact CE2-CD1 3.76Å; G326-L379 PolarHBondContact O-N 2.93Å; P364-L379 WeakPolarHBondContact O-CD1 3.27Å; L379-S381 WeakPolarHBondContact CD2-OG 3.5Å; L379-S381 WeakPolarHBondContact CG-OG 3.21Å; L379-S381 PolarHBondContact O-N 3.28Å; L379-E382 WeakPolarHBondContact O-CB 3.46Å; L379-E382 PolarHBondContact O-N 3.34Å
380A88Confident88.1Confident26 Ų2659.5 Ų59.522%0.21534%0.339CS..THydrogen-bonded Turntrans-67.1-15.5179.800000113.1P364 R366 E382P364-A380 WeakPolarHBondContact O-CB 3.14Å; P364-A380 PolarHBondContact O-N 3.45Å; R366-A380 HydrophobicContact CG-CB 4Å; R366-A380 PolarHBondContact NH2-O 3.16Å; A380-E382 VanDerWaalsContact C-N 3.33Å
381S85.9Confident88.3Confident86 Ų8657.5 Ų57.560%0.60133%0.331SS*.THydrogen-bonded Turntrans-83-10.8173.259.50000113.5L379 D383L379-S381 WeakPolarHBondContact CD2-OG 3.5Å; L379-S381 WeakPolarHBondContact CG-OG 3.21Å; L379-S381 PolarHBondContact O-N 3.28Å; S381-D383 PolarHBondContact O-N 3.22Å
382E81.4Confident88.8Confident80 Ų8054.1 Ų54.137%0.37430%0.302SS..  trans-84.4115-176.7-163.276.5-177.400109.9L379 A380 T387L379-E382 WeakPolarHBondContact O-CB 3.46Å; L379-E382 PolarHBondContact O-N 3.34Å; A380-E382 VanDerWaalsContact C-N 3.33Å; E382-T387 HydrophobicContact CG-CG2 3.56Å; E382-T387 WeakPolarHBondContact OE1-CG2 3.39Å
383D83.6Confident89.4Confident88 Ų8855.4 Ų55.447%0.47131%0.305SS..  trans-85.5121.4175.4-78.5-27.4000110.6S381 I385 E386 T387S381-D383 PolarHBondContact O-N 3.22Å; D383-I385 VanDerWaalsContact C-N 3.25Å; D383-I385 PolarHBondContact O-N 2.97Å; D383-E386 HydrophobicContact CB-CB 4.29Å; D383-E386 HydrophobicContact CB-CG 3.95Å; D383-E386 PolarHBondContact O-N 2.9Å; D383-E386 VanDerWaalsContact O-N 3.1Å; D383-T387 PolarHBondContact O-N 3.38Å; D383-T387 VanDerWaalsContact O-N 3.09Å
384E84.8Confident89.6Confident81 Ų8154.5 Ų54.538%0.37929%0.285SS..Hα-helixtrans-54.8-42.9-179.3171.1164.5-160.600112K368 E386 T387 L388K368-E384 IonicContact NZ-OE1 2.81Å; K368-E384 PolarHBondContact NZ-OE1 3.11Å; K368-E384 IonicContact NZ-OE2 3.71Å; K368-E384 PolarHBondContact NZ-OE2 3.07Å; E384-E386 VanDerWaalsContact C-N 3.3Å; E384-E386 PolarHBondContact O-N 3.01Å; E384-T387 PolarHBondContact O-N 2.8Å; E384-T387 PolarHBondContact O-OG1 3.22Å; E384-L388 HydrophobicContact CG-CD1 4.02Å; E384-L388 HydrophobicContact CG-CG 4.3Å; E384-L388 VanDerWaalsContact O-CG 3.31Å; E384-L388 WeakPolarHBondContact O-CG 3.36Å; E384-L388 PolarHBondContact O-N 3.34Å
385I88.2Confident89.8Confident115 Ų11552.7 Ų52.759%0.5928%0.276SS*.Hα-helixtrans-62.1-39.7-178.3-61.2171.4000111.1D383 L388 K389D383-I385 VanDerWaalsContact C-N 3.25Å; D383-I385 PolarHBondContact O-N 2.97Å; I385-L388 PolarHBondContact O-N 3.04Å; I385-K389 HydrophobicContact CG2-CD 4.27Å; I385-K389 WeakPolarHBondContact O-CG 3.45Å; I385-K389 PolarHBondContact O-N 2.94Å
386E88.6Confident89.7Confident127 Ų12755.2 Ų55.259%0.59329%0.286SS*.Hα-helixtrans-68.2-40.7177.8-62.1-168161.600111.1D383 E384 L388 K389 S390D383-E386 HydrophobicContact CB-CB 4.29Å; D383-E386 HydrophobicContact CB-CG 3.95Å; D383-E386 PolarHBondContact O-N 2.9Å; D383-E386 VanDerWaalsContact O-N 3.1Å; E384-E386 VanDerWaalsContact C-N 3.3Å; E384-E386 PolarHBondContact O-N 3.01Å; E386-L388 VanDerWaalsContact C-N 3.32Å; E386-L388 PolarHBondContact O-N 3.22Å; E386-K389 PolarHBondContact O-N 2.91Å; E386-S390 WeakPolarHBondContact O-CB 3.34Å; E386-S390 PolarHBondContact O-N 2.87Å
387T87.6Confident89.8Confident23 Ų2363.8 Ų63.814%0.14132%0.323CS..Hα-helixtrans-61.2-41.8174.668.10000111.9E382 D383 E384 T391 R420E382-T387 HydrophobicContact CG-CG2 3.56Å; E382-T387 WeakPolarHBondContact OE1-CG2 3.39Å; D383-T387 PolarHBondContact O-N 3.38Å; D383-T387 VanDerWaalsContact O-N 3.09Å; E384-T387 PolarHBondContact O-N 2.8Å; E384-T387 PolarHBondContact O-OG1 3.22Å; T387-T391 PolarHBondContact O-N 3.25Å; T387-T391 PolarHBondContact O-OG1 3.08Å; T387-R420 PolarHBondContact O-NH2 3.25Å
388L91.2Very high89.7Confident17 Ų1769.3 Ų69.39%0.08934%0.344CS..Hα-helixtrans-64.2-48178.3-64.8175000110.5E384 I385 E386 S390 T391 V392 A423 V424 V427E384-L388 HydrophobicContact CG-CD1 4.02Å; E384-L388 HydrophobicContact CG-CG 4.3Å; E384-L388 VanDerWaalsContact O-CG 3.31Å; E384-L388 WeakPolarHBondContact O-CG 3.36Å; E384-L388 PolarHBondContact O-N 3.34Å; I385-L388 PolarHBondContact O-N 3.04Å; E386-L388 VanDerWaalsContact C-N 3.32Å; E386-L388 PolarHBondContact O-N 3.22Å; L388-S390 PolarHBondContact O-N 3.33Å; L388-T391 WeakPolarHBondContact O-CA 3.45Å; L388-T391 VanDerWaalsContact O-CB 3.3Å; L388-T391 WeakPolarHBondContact O-CB 3.47Å; L388-T391 PolarHBondContact O-N 3.05Å; L388-V392 WeakPolarHBondContact O-CG2 3.34Å; L388-V392 PolarHBondContact O-N 2.98Å; L388-A423 HydrophobicContact CD2-CB 4.01Å; L388-V424 HydrophobicContact CB-CG2 4.2Å; L388-V424 HydrophobicContact CD2-CB 4.34Å; L388-V424 HydrophobicContact CD2-CG2 3.39Å; L388-V424 HydrophobicContact CG-CG2 4.37Å; L388-V427 HydrophobicContact CD1-CG2 4.23Å
389K92.1Very high89.6Confident122 Ų12273.5 Ų73.553%0.5337%0.366SS..Hα-helixtrans-57.3-47.8176.6-73.1174.2-179.91780112.6I385 E386 T391 V392 E393I385-K389 HydrophobicContact CG2-CD 4.27Å; I385-K389 WeakPolarHBondContact O-CG 3.45Å; I385-K389 PolarHBondContact O-N 2.94Å; E386-K389 PolarHBondContact O-N 2.91Å; K389-T391 PolarHBondContact O-N 3.01Å; K389-V392 WeakPolarHBondContact O-CB 3.43Å; K389-V392 PolarHBondContact O-N 2.72Å; K389-E393 WeakPolarHBondContact O-CG 3.34Å; K389-E393 PolarHBondContact O-N 2.82Å
390S91.1Very high89.7Confident51 Ų5173.5 Ų73.536%0.35737%0.367SS..Hα-helixtrans-59.6-33.3176.3173.90000112.4E386 L388 L394E386-S390 WeakPolarHBondContact O-CB 3.34Å; E386-S390 PolarHBondContact O-N 2.87Å; L388-S390 PolarHBondContact O-N 3.33Å; S390-L394 WeakPolarHBondContact O-CG 3.33Å; S390-L394 PolarHBondContact O-N 3.33Å
391T91.9Very high90Very high0 Ų072.4 Ų72.40%036%0.358CS..Hα-helixtrans-68.6-42.5175.2-41.70000111.2T387 L388 K389 L394 V395 L406 R420 L421 V424T387-T391 PolarHBondContact O-N 3.25Å; T387-T391 PolarHBondContact O-OG1 3.08Å; L388-T391 WeakPolarHBondContact O-CA 3.45Å; L388-T391 VanDerWaalsContact O-CB 3.3Å; L388-T391 WeakPolarHBondContact O-CB 3.47Å; L388-T391 PolarHBondContact O-N 3.05Å; K389-T391 PolarHBondContact O-N 3.01Å; T391-L394 WeakPolarHBondContact O-CB 3.43Å; T391-L394 PolarHBondContact O-N 2.93Å; T391-V395 WeakPolarHBondContact O-CG2 3.21Å; T391-V395 PolarHBondContact O-N 3.12Å; T391-L406 HydrophobicContact CG2-CD1 4.2Å; T391-L406 HydrophobicContact CG2-CD2 4.15Å; T391-R420 HydrophobicContact CG2-CG 4.37Å; T391-R420 PolarHBondContact OG1-NE 2.86Å; T391-R420 PolarHBondContact OG1-NH2 3.28Å; T391-L421 HydrophobicContact CG2-CD2 4.17Å; T391-V424 HydrophobicContact CG2-CG2 4.17Å
392V92.8Very high90.4Very high16 Ų1669.1 Ų69.110%0.09734%0.335CS..Hα-helixtrans-62.2-46177.91760000110.4L388 K389 L394 V395 E396 V424 L429 I430L388-V392 WeakPolarHBondContact O-CG2 3.34Å; L388-V392 PolarHBondContact O-N 2.98Å; K389-V392 WeakPolarHBondContact O-CB 3.43Å; K389-V392 PolarHBondContact O-N 2.72Å; V392-L394 PolarHBondContact O-N 3.33Å; V392-V395 PolarHBondContact O-N 3.17Å; V392-E396 HydrophobicContact CG1-CG 4.34Å; V392-E396 WeakPolarHBondContact O-CG 3.35Å; V392-E396 PolarHBondContact O-N 3.4Å; V392-V424 HydrophobicContact CG2-CG1 3.46Å; V392-V424 VanDerWaalsContact CG2-CG1 3.46Å; V392-L429 HydrophobicContact CG2-CB 3.73Å; V392-L429 HydrophobicContact CG2-CD1 3.87Å; V392-L429 HydrophobicContact CG2-CG 4.39Å; V392-I430 HydrophobicContact CG2-CG2 4.4Å
393E93.3Very high91Very high126 Ų12666.2 Ų66.259%0.58932%0.323SS*.Hα-helixtrans-57.2-37.6175.7-69.8173.2-17200112.2K389 K397K389-E393 WeakPolarHBondContact O-CG 3.34Å; K389-E393 PolarHBondContact O-N 2.82Å; E393-K397 VanDerWaalsContact O-CB 3.29Å; E393-K397 WeakPolarHBondContact O-CB 3.31Å; E393-K397 PolarHBondContact O-N 3.28Å
394L92.4Very high91.4Very high43 Ų4366.9 Ų66.923%0.22533%0.326CS..Hα-helixtrans-68.4-39.7175.3-74171.8000112.7S390 T391 V392 R398 L406 T409 V410S390-L394 WeakPolarHBondContact O-CG 3.33Å; S390-L394 PolarHBondContact O-N 3.33Å; T391-L394 WeakPolarHBondContact O-CB 3.43Å; T391-L394 PolarHBondContact O-N 2.93Å; V392-L394 PolarHBondContact O-N 3.33Å; L394-R398 PolarHBondContact O-N 2.83Å; L394-L406 HydrophobicContact CD1-CD1 4.32Å; L394-T409 HydrophobicContact CD2-CG2 4.27Å; L394-V410 HydrophobicContact CD1-CG2 3.72Å
395V93Very high91.8Very high0 Ų065.6 Ų65.60%032%0.32CS..Hα-helixtrans-66.3-44.3176.7175.10000110.1T391 V392 K397 R398 I399 L401 L421 I430 P443T391-V395 WeakPolarHBondContact O-CG2 3.21Å; T391-V395 PolarHBondContact O-N 3.12Å; V392-V395 PolarHBondContact O-N 3.17Å; V395-K397 PolarHBondContact O-N 2.99Å; V395-R398 PolarHBondContact O-N 2.93Å; V395-I399 CarbonylContact O-C 3.51Å; V395-I399 PolarHBondContact O-N 2.92Å; V395-L401 HydrophobicContact CG2-CB 3.99Å; V395-L401 HydrophobicContact CG2-CD2 3.94Å; V395-L421 HydrophobicContact CG2-CD2 4.32Å; V395-I430 HydrophobicContact CB-CG2 4.49Å; V395-I430 HydrophobicContact CG1-CG2 4.22Å; V395-I430 HydrophobicContact CG2-CG2 4.45Å; V395-P443 HydrophobicContact CG1-CG 4.03Å
396E91.8Very high92Very high112 Ų11260.2 Ų60.252%0.52329%0.293SS..Hα-helixtrans-61.4-43.4175.9-72.3-179.1165.600112V392 R398 I399 P443V392-E396 HydrophobicContact CG1-CG 4.34Å; V392-E396 WeakPolarHBondContact O-CG 3.35Å; V392-E396 PolarHBondContact O-N 3.4Å; E396-R398 VanDerWaalsContact C-N 3.29Å; E396-R398 PolarHBondContact O-N 2.93Å; E396-I399 PolarHBondContact O-N 3.02Å; E396-P443 HydrophobicContact CG-CB 4.2Å; E396-P443 HydrophobicContact CG-CG 3.93Å
397K93.4Very high92.1Very high179 Ų17954.5 Ų54.578%0.77827%0.267SS*.Hα-helixtrans-61.9-34.6179.4-176.8175-179.7176.40113.2E393 V395E393-K397 VanDerWaalsContact O-CB 3.29Å; E393-K397 WeakPolarHBondContact O-CB 3.31Å; E393-K397 PolarHBondContact O-N 3.28Å; V395-K397 PolarHBondContact O-N 2.99Å
398R90.1Very high92.2Very high117 Ų11759.9 Ų59.944%0.44229%0.294SS..Hα-helixtrans-97.9-0.6-179.8-69.7-159.6179.5167.86.4114L394 V395 E396 S400 T409L394-R398 PolarHBondContact O-N 2.83Å; V395-R398 PolarHBondContact O-N 2.93Å; E396-R398 VanDerWaalsContact C-N 3.29Å; E396-R398 PolarHBondContact O-N 2.93Å; R398-S400 WeakPolarHBondContact CB-O 3.37Å; R398-S400 PolarHBondContact O-N 3.38Å; R398-T409 VanDerWaalsContact CZ-OG1 3.22Å; R398-T409 PolarHBondContact NH1-OG1 3.36Å; R398-T409 VanDerWaalsContact NH1-OG1 3.09Å; R398-T409 PolarHBondContact NH2-OG1 2.88Å
399I90.4Very high92.1Very high115 Ų11561.4 Ų61.459%0.5930%0.304SS*.SBendtrans67.6-41-172.7-54.2165.8000112.8V395 E396 Y442 P443V395-I399 CarbonylContact O-C 3.51Å; V395-I399 PolarHBondContact O-N 2.92Å; E396-I399 PolarHBondContact O-N 3.02Å; I399-Y442 VanDerWaalsContact O-CD1 3.31Å; I399-Y442 WeakPolarHBondContact O-CD1 3.39Å; I399-P443 WeakPolarHBondContact O-CD 3.46Å
400S92.2Very high91.8Very high19 Ų1957.7 Ų57.713%0.13329%0.292CS..SBendtrans-142.8156.1174.275.30000110.1R398 R440 F441R398-S400 WeakPolarHBondContact CB-O 3.37Å; R398-S400 PolarHBondContact O-N 3.38Å; S400-R440 PolarHBondContact OG-NH1 3.34Å; S400-F441 CarbonylContact C-O 3.55Å; S400-F441 WeakPolarHBondContact CA-O 3.31Å
401L93.5Very high91.5Very high3 Ų359 Ų592%0.01630%0.295CS..EExtended strand (participates in β ladder)trans-142.6128.4176.4-160.366.8000110.9V395 E405 L406 F441V395-L401 HydrophobicContact CG2-CB 3.99Å; V395-L401 HydrophobicContact CG2-CD2 3.94Å; L401-E405 HydrophobicContact CD1-CB 3.66Å; L401-E405 HydrophobicContact CG-CB 4.32Å; L401-L406 HydrophobicContact CD2-CB 3.6Å; L401-L406 HydrophobicContact CD2-CD1 3.54Å; L401-L406 HydrophobicContact CD2-CG 4.07Å; L401-L406 HydrophobicContact CG-CB 4.04Å; L401-F441 PolarHBondContact N-O 3.34Å; L401-F441 PolarHBondContact O-N 2.66Å
402S94.3Very high91.2Very high17 Ų1759.4 Ų59.412%0.11930%0.297CS..EExtended strand (participates in β ladder)trans-84.4163.2166.167.10000111.4D404 E405 L406S402-D404 VanDerWaalsContact C-N 3.28Å; S402-D404 PolarHBondContact O-N 2.67Å; S402-E405 PolarHBondContact N-OE2 2.78Å; S402-E405 VanDerWaalsContact N-OE2 3.13Å; S402-E405 PolarHBondContact O-N 3.03Å; S402-E405 WeakPolarHBondContact OG-CB 3.35Å; S402-E405 WeakPolarHBondContact OG-CG 3.05Å; S402-E405 PolarHBondContact OG-N 3.36Å; S402-E405 PolarHBondContact OG-OE1 2.92Å; S402-L406 PolarHBondContact O-N 3.16Å
403V94Very high91Very high19 Ų1959.8 Ų59.812%0.11530%0.301CS..Hα-helixtrans-56.4-43.9176.5176.40000111.3L406 A407 P414 A417 K418 L421 F441V403-L406 PolarHBondContact O-N 3.26Å; V403-A407 WeakPolarHBondContact O-CB 3.37Å; V403-A407 PolarHBondContact O-N 2.93Å; V403-P414 WeakPolarHBondContact CG1-O 3.28Å; V403-A417 HydrophobicContact CG1-CB 4.23Å; V403-K418 HydrophobicContact CG1-CB 3.79Å; V403-K418 HydrophobicContact CG2-CB 4.26Å; V403-K418 HydrophobicContact CG2-CG 4.29Å; V403-L421 HydrophobicContact CG2-CD1 4.07Å; V403-F441 HydrophobicContact CG2-CE2 4.1Å
404D93Very high90.8Very high103 Ų10357.1 Ų57.155%0.55129%0.294SS*.Hα-helixtrans-69.8-39.7-178.3-60.1-49.8000111.8S402 L406 A407 L408S402-D404 VanDerWaalsContact C-N 3.28Å; S402-D404 PolarHBondContact O-N 2.67Å; D404-L406 VanDerWaalsContact C-N 3.33Å; D404-L406 PolarHBondContact O-N 3.25Å; D404-A407 PolarHBondContact O-N 3.05Å; D404-L408 WeakPolarHBondContact O-CG 3.48Å; D404-L408 PolarHBondContact O-N 3.19Å
405E93Very high90.7Very high54 Ų5459.1 Ų59.125%0.25231%0.308SS..Hα-helixtrans-62.6-39.9175-74.2163.6-161.100111.6L401 S402 T409 R440L401-E405 HydrophobicContact CD1-CB 3.66Å; L401-E405 HydrophobicContact CG-CB 4.32Å; S402-E405 PolarHBondContact N-OE2 2.78Å; S402-E405 VanDerWaalsContact N-OE2 3.13Å; S402-E405 PolarHBondContact O-N 3.03Å; S402-E405 WeakPolarHBondContact OG-CB 3.35Å; S402-E405 WeakPolarHBondContact OG-CG 3.05Å; S402-E405 PolarHBondContact OG-N 3.36Å; S402-E405 PolarHBondContact OG-OE1 2.92Å; E405-T409 WeakPolarHBondContact O-CB 3.19Å; E405-T409 PolarHBondContact O-N 3.1Å; E405-T409 PolarHBondContact O-OG1 2.8Å; E405-R440 IonicContact OE1-CZ 2.66Å; E405-R440 IonicContact OE1-NH1 3.41Å; E405-R440 IonicContact OE1-NH2 2.86Å; E405-R440 PolarHBondContact OE1-NH2 3.03Å; E405-R440 IonicContact OE2-NH1 2.67Å
406L92.4Very high90.5Very high1 Ų159.3 Ų59.31%0.00531%0.309CS..Hα-helixtrans-65.2-46.8174.5-178.966.5000111.1T391 L394 L401 S402 V403 D404 L408 T409 V410 A417 L421T391-L406 HydrophobicContact CG2-CD1 4.2Å; T391-L406 HydrophobicContact CG2-CD2 4.15Å; L394-L406 HydrophobicContact CD1-CD1 4.32Å; L401-L406 HydrophobicContact CD2-CB 3.6Å; L401-L406 HydrophobicContact CD2-CD1 3.54Å; L401-L406 HydrophobicContact CD2-CG 4.07Å; L401-L406 HydrophobicContact CG-CB 4.04Å; S402-L406 PolarHBondContact O-N 3.16Å; V403-L406 PolarHBondContact O-N 3.26Å; D404-L406 VanDerWaalsContact C-N 3.33Å; D404-L406 PolarHBondContact O-N 3.25Å; L406-L408 VanDerWaalsContact C-N 3.3Å; L406-L408 PolarHBondContact O-N 2.85Å; L406-T409 PolarHBondContact O-N 3.36Å; L406-T409 VanDerWaalsContact O-N 3.11Å; L406-V410 HydrophobicContact CD1-CG2 3.57Å; L406-V410 HydrophobicContact CG-CG2 4.34Å; L406-V410 PolarHBondContact O-N 3.28Å; L406-A417 HydrophobicContact CB-CB 4.34Å; L406-A417 HydrophobicContact CD2-CB 4.05Å; L406-A417 HydrophobicContact CG-CB 4.22Å; L406-L421 HydrophobicContact CB-CD1 4.28Å; L406-L421 HydrophobicContact CD2-CD1 3.67Å; L406-L421 HydrophobicContact CD2-CD2 3.94Å; L406-L421 HydrophobicContact CD2-CG 3.5Å
407A91.5Very high90.5Very high7 Ų754 Ų546%0.05828%0.284CS..Hα-helixtrans-55.6-45.6179.500000111.5V403 D404 N411 L412 P414 A417V403-A407 WeakPolarHBondContact O-CB 3.37Å; V403-A407 PolarHBondContact O-N 2.93Å; D404-A407 PolarHBondContact O-N 3.05Å; A407-N411 CarbonylContact O-C 3.49Å; A407-N411 VanDerWaalsContact O-CA 3.22Å; A407-N411 WeakPolarHBondContact O-CA 3.36Å; A407-N411 PolarHBondContact O-N 3.18Å; A407-L412 WeakPolarHBondContact CB-O 3.36Å; A407-L412 PolarHBondContact O-N 3.18Å; A407-P414 HydrophobicContact CB-CG 4.36Å; A407-A417 HydrophobicContact CB-CB 3.87Å
408L89.6Confident90.5Very high136 Ų13650.3 Ų50.371%0.71227%0.268SS*.Hα-helixtrans-68.7-35.5177-69.2172.2000113.1D404 L406D404-L408 WeakPolarHBondContact O-CG 3.48Å; D404-L408 PolarHBondContact O-N 3.19Å; L406-L408 VanDerWaalsContact C-N 3.3Å; L406-L408 PolarHBondContact O-N 2.85Å
409T88.2Confident90.5Very high49 Ų4944.9 Ų44.930%0.30125%0.248SC..Hα-helixtrans-75.3-40.3-176-55.70000112.1L394 R398 E405 L406L394-T409 HydrophobicContact CD2-CG2 4.27Å; R398-T409 VanDerWaalsContact CZ-OG1 3.22Å; R398-T409 PolarHBondContact NH1-OG1 3.36Å; R398-T409 VanDerWaalsContact NH1-OG1 3.09Å; R398-T409 PolarHBondContact NH2-OG1 2.88Å; E405-T409 WeakPolarHBondContact O-CB 3.19Å; E405-T409 PolarHBondContact O-N 3.1Å; E405-T409 PolarHBondContact O-OG1 2.8Å; L406-T409 PolarHBondContact O-N 3.36Å; L406-T409 VanDerWaalsContact O-N 3.11Å
410V85.7Confident90.5Very high45 Ų4541 Ų4127%0.27323%0.226SC..Hα-helixtrans-94.9-7.5-177.1-171.10000111.8L394 L406 L412L394-V410 HydrophobicContact CD1-CG2 3.72Å; L406-V410 HydrophobicContact CD1-CG2 3.57Å; L406-V410 HydrophobicContact CG-CG2 4.34Å; L406-V410 PolarHBondContact O-N 3.28Å; V410-L412 HydrophobicContact CB-CD1 3.97Å; V410-L412 HydrophobicContact CB-CG 4.17Å; V410-L412 HydrophobicContact CG1-CD1 3.55Å; V410-L412 HydrophobicContact CG1-CG 3.84Å
411N84.9Confident90.6Very high79 Ų7940 Ų4042%0.42222%0.22SC..THydrogen-bonded Turntrans55.254.4-169.9-59.5-72.7000111.5L323 A407L323-N411 CarbonylContact C-O 3.59Å; L323-N411 VanDerWaalsContact C-O 3.22Å; L323-N411 VanDerWaalsContact CA-O 3.26Å; L323-N411 WeakPolarHBondContact CA-O 3.46Å; L323-N411 HydrophobicContact CD2-CB 4.45Å; A407-N411 CarbonylContact O-C 3.49Å; A407-N411 VanDerWaalsContact O-CA 3.22Å; A407-N411 WeakPolarHBondContact O-CA 3.36Å; A407-N411 PolarHBondContact O-N 3.18Å
412L85.6Confident90.5Very high7 Ų741.5 Ų41.54%0.03723%0.227CC..  trans-112.4159.5174.5-74169.3000110.3A407 V410 L416A407-L412 WeakPolarHBondContact CB-O 3.36Å; A407-L412 PolarHBondContact O-N 3.18Å; V410-L412 HydrophobicContact CB-CD1 3.97Å; V410-L412 HydrophobicContact CB-CG 4.17Å; V410-L412 HydrophobicContact CG1-CD1 3.55Å; V410-L412 HydrophobicContact CG1-CG 3.84Å; L412-L416 HydrophobicContact CD2-CD1 4.42Å
413S87.7Confident90.4Very high25 Ų2541.2 Ų41.218%0.17523%0.226CC..  trans-64.1145.5168.176.20000110V415 L416 A417S413-V415 PolarHBondContact O-N 2.67Å; S413-V415 VanDerWaalsContact O-N 3.12Å; S413-L416 PolarHBondContact O-N 3.24Å; S413-L416 WeakPolarHBondContact OG-CB 3.41Å; S413-L416 VanDerWaalsContact OG-CG 3.27Å; S413-L416 WeakPolarHBondContact OG-CG 3.35Å; S413-L416 PolarHBondContact OG-N 3.05Å; S413-A417 PolarHBondContact O-N 2.74Å
414P89.8Confident90.3Very high70 Ų7040.3 Ų40.346%0.45522%0.22SC..Hα-helixtrans-55.3-32177.4-27.434.7000113.2V403 A407 K418V403-P414 WeakPolarHBondContact CG1-O 3.28Å; A407-P414 HydrophobicContact CB-CG 4.36Å; P414-K418 WeakPolarHBondContact O-CB 2.97Å; P414-K418 PolarHBondContact O-N 3.07Å
415V90.8Very high90.3Very high85 Ų8537.3 Ų37.352%0.51520%0.203SC..Hα-helixtrans-66-45.5176.8-177.80000111.2L374 S413 A419L374-V415 HydrophobicContact CD1-CG1 4Å; L374-V415 HydrophobicContact CD2-CG1 3.86Å; S413-V415 PolarHBondContact O-N 2.67Å; S413-V415 VanDerWaalsContact O-N 3.12Å; V415-A419 WeakPolarHBondContact O-CB 3.11Å; V415-A419 PolarHBondContact O-N 2.65Å
416L89.4Confident90.2Very high4 Ų441.5 Ų41.52%0.02122%0.223CC..Hα-helixtrans-69.5-39.4176.3-70.2172.8000111.7L374 V376 L412 S413 K418 A419 R420L374-L416 HydrophobicContact CD2-CD2 4.2Å; V376-L416 HydrophobicContact CB-CD2 4.29Å; V376-L416 HydrophobicContact CG1-CD2 3.78Å; V376-L416 HydrophobicContact CG2-CD2 3.43Å; V376-L416 VanDerWaalsContact CG2-CD2 3.43Å; L412-L416 HydrophobicContact CD2-CD1 4.42Å; S413-L416 PolarHBondContact O-N 3.24Å; S413-L416 WeakPolarHBondContact OG-CB 3.41Å; S413-L416 VanDerWaalsContact OG-CG 3.27Å; S413-L416 WeakPolarHBondContact OG-CG 3.35Å; S413-L416 PolarHBondContact OG-N 3.05Å; L416-K418 VanDerWaalsContact C-N 3.34Å; L416-K418 PolarHBondContact O-N 3.19Å; L416-A419 PolarHBondContact O-N 2.92Å; L416-R420 VanDerWaalsContact O-CB 3.3Å; L416-R420 WeakPolarHBondContact O-CB 3.28Å; L416-R420 PolarHBondContact O-N 3.44Å
417A91.4Very high90.1Very high0 Ų045.8 Ų45.80%025%0.249CC..Hα-helixtrans-59.5-45.1175.400000111.3V403 L406 A407 S413 R420 L421V403-A417 HydrophobicContact CG1-CB 4.23Å; L406-A417 HydrophobicContact CB-CB 4.34Å; L406-A417 HydrophobicContact CD2-CB 4.05Å; L406-A417 HydrophobicContact CG-CB 4.22Å; A407-A417 HydrophobicContact CB-CB 3.87Å; S413-A417 PolarHBondContact O-N 2.74Å; A417-R420 PolarHBondContact O-N 3.41Å; A417-L421 WeakPolarHBondContact O-CG 3.41Å; A417-L421 PolarHBondContact O-N 2.94Å
418K92.5Very high90.1Very high102 Ų10246.4 Ų46.444%0.44326%0.256SS..Hα-helixtrans-61.7-48174.8-172.2174.9180175.40111.8V403 P414 L416 R420 L421 L422V403-K418 HydrophobicContact CG1-CB 3.79Å; V403-K418 HydrophobicContact CG2-CB 4.26Å; V403-K418 HydrophobicContact CG2-CG 4.29Å; P414-K418 WeakPolarHBondContact O-CB 2.97Å; P414-K418 PolarHBondContact O-N 3.07Å; L416-K418 VanDerWaalsContact C-N 3.34Å; L416-K418 PolarHBondContact O-N 3.19Å; K418-R420 VanDerWaalsContact C-N 3.29Å; K418-R420 PolarHBondContact O-N 3.42Å; K418-L421 PolarHBondContact O-N 2.66Å; K418-L422 HydrophobicContact CG-CD1 4.12Å; K418-L422 WeakPolarHBondContact O-CG 3.29Å; K418-L422 PolarHBondContact O-N 3.17Å
419A91Very high90.1Very high3 Ų343.5 Ų43.53%0.02524%0.241CC..Hα-helixtrans-61.3-38.3179.300000112.2Y370 L374 V415 L416 A423Y370-A419 HydrophobicContact CD1-CB 3.93Å; Y370-A419 HydrophobicContact CD2-CB 4.47Å; Y370-A419 HydrophobicContact CE1-CB 4.01Å; Y370-A419 HydrophobicContact CG-CB 4.16Å; L374-A419 HydrophobicContact CD2-CB 3.87Å; V415-A419 WeakPolarHBondContact O-CB 3.11Å; V415-A419 PolarHBondContact O-N 2.65Å; L416-A419 PolarHBondContact O-N 2.92Å; A419-A423 WeakPolarHBondContact O-CB 3.45Å; A419-A423 PolarHBondContact O-N 2.81Å
420R90.5Very high90.4Very high32 Ų3241.3 Ų41.312%0.12123%0.227CC..Hα-helixtrans-65.8-45.8176.2-173.7170.3177.3172.1-4.9112T387 T391 L416 A417 K418 A423 V424T387-R420 PolarHBondContact O-NH2 3.25Å; T391-R420 HydrophobicContact CG2-CG 4.37Å; T391-R420 PolarHBondContact OG1-NE 2.86Å; T391-R420 PolarHBondContact OG1-NH2 3.28Å; L416-R420 VanDerWaalsContact O-CB 3.3Å; L416-R420 WeakPolarHBondContact O-CB 3.28Å; L416-R420 PolarHBondContact O-N 3.44Å; A417-R420 PolarHBondContact O-N 3.41Å; K418-R420 VanDerWaalsContact C-N 3.29Å; K418-R420 PolarHBondContact O-N 3.42Å; R420-A423 PolarHBondContact O-N 3.48Å; R420-V424 WeakPolarHBondContact O-CG2 3.47Å; R420-V424 PolarHBondContact O-N 2.99Å; R420-V424 VanDerWaalsContact O-N 3.08Å
421L93.2Very high90.8Very high0 Ų040.5 Ų40.50%022%0.223CC..Hα-helixtrans-62.1-45.2176-73.5161.8000111.7T391 V395 V403 L406 A417 K418 A423 V424 E425 I430 F441T391-L421 HydrophobicContact CG2-CD2 4.17Å; V395-L421 HydrophobicContact CG2-CD2 4.32Å; V403-L421 HydrophobicContact CG2-CD1 4.07Å; L406-L421 HydrophobicContact CB-CD1 4.28Å; L406-L421 HydrophobicContact CD2-CD1 3.67Å; L406-L421 HydrophobicContact CD2-CD2 3.94Å; L406-L421 HydrophobicContact CD2-CG 3.5Å; A417-L421 WeakPolarHBondContact O-CG 3.41Å; A417-L421 PolarHBondContact O-N 2.94Å; K418-L421 PolarHBondContact O-N 2.66Å; L421-A423 VanDerWaalsContact C-N 3.3Å; L421-A423 PolarHBondContact O-N 3.22Å; L421-V424 PolarHBondContact O-N 3.49Å; L421-V424 VanDerWaalsContact O-N 3.16Å; L421-E425 PolarHBondContact O-N 3.04Å; L421-I430 HydrophobicContact CB-CD1 4.36Å; L421-I430 HydrophobicContact CD2-CD1 3.8Å; L421-I430 WeakPolarHBondContact O-CD1 3.48Å; L421-F441 HydrophobicContact CB-CD1 4.31Å; L421-F441 HydrophobicContact CB-CD2 4.03Å; L421-F441 HydrophobicContact CB-CE1 4.07Å; L421-F441 HydrophobicContact CB-CE2 3.77Å; L421-F441 HydrophobicContact CB-CG 4.28Å; L421-F441 HydrophobicContact CB-CZ 3.78Å; L421-F441 HydrophobicContact CD1-CD2 3.66Å; L421-F441 HydrophobicContact CD1-CE2 3.74Å; L421-F441 HydrophobicContact CD1-CG 4.45Å; L421-F441 HydrophobicContact CD2-CB 4.2Å; L421-F441 HydrophobicContact CD2-CD2 4.09Å; L421-F441 HydrophobicContact CD2-CG 4.06Å; L421-F441 HydrophobicContact CG-CD2 4.12Å; L421-F441 HydrophobicContact CG-CE2 4.24Å; L421-F441 HydrophobicContact CG-CG 4.48Å
422L92.7Very high91.3Very high34 Ų3443 Ų4318%0.17823%0.226CC..Hα-helixtrans-61.3-38.3176.2-68.7174.5000112.1K418 V424 E425 E426 F441K418-L422 HydrophobicContact CG-CD1 4.12Å; K418-L422 WeakPolarHBondContact O-CG 3.29Å; K418-L422 PolarHBondContact O-N 3.17Å; L422-V424 PolarHBondContact O-N 3.26Å; L422-E425 WeakPolarHBondContact CD2-OE2 3.3Å; L422-E425 WeakPolarHBondContact O-CB 3.25Å; L422-E425 PolarHBondContact O-N 3.47Å; L422-E426 WeakPolarHBondContact O-CG 3.45Å; L422-E426 PolarHBondContact O-N 2.83Å; L422-F441 HydrophobicContact CD2-CZ 4.28Å
423A91Very high91.7Very high10 Ų1045.8 Ų45.88%0.08324%0.242CC..Hα-helixtrans-65-37.7175.200000112.6Y370 L388 A419 R420 L421 E425 E426 V427Y370-A423 HydrophobicContact CE1-CB 4.26Å; L388-A423 HydrophobicContact CD2-CB 4.01Å; A419-A423 WeakPolarHBondContact O-CB 3.45Å; A419-A423 PolarHBondContact O-N 2.81Å; R420-A423 PolarHBondContact O-N 3.48Å; L421-A423 VanDerWaalsContact C-N 3.3Å; L421-A423 PolarHBondContact O-N 3.22Å; A423-E425 VanDerWaalsContact C-N 3.33Å; A423-E426 PolarHBondContact O-N 3.47Å; A423-V427 WeakPolarHBondContact O-CG2 3.49Å; A423-V427 PolarHBondContact O-N 3.16Å
424V93Very high92.1Very high0 Ų050.4 Ų50.40%026%0.264CS..Hα-helixtrans-67.7-36.9174.71800000111.1L388 T391 V392 R420 L421 L422 V427 G428 L429 I430L388-V424 HydrophobicContact CB-CG2 4.2Å; L388-V424 HydrophobicContact CD2-CB 4.34Å; L388-V424 HydrophobicContact CD2-CG2 3.39Å; L388-V424 HydrophobicContact CG-CG2 4.37Å; T391-V424 HydrophobicContact CG2-CG2 4.17Å; V392-V424 HydrophobicContact CG2-CG1 3.46Å; V392-V424 VanDerWaalsContact CG2-CG1 3.46Å; R420-V424 WeakPolarHBondContact O-CG2 3.47Å; R420-V424 PolarHBondContact O-N 2.99Å; R420-V424 VanDerWaalsContact O-N 3.08Å; L421-V424 PolarHBondContact O-N 3.49Å; L421-V424 VanDerWaalsContact O-N 3.16Å; L422-V424 PolarHBondContact O-N 3.26Å; V424-V427 PolarHBondContact O-N 3.25Å; V424-G428 PolarHBondContact O-N 3.32Å; V424-L429 HydrophobicContact CG1-CB 3.8Å; V424-L429 HydrophobicContact CG1-CD1 4.43Å; V424-L429 PolarHBondContact O-N 3.38Å; V424-I430 HydrophobicContact CB-CD1 3.76Å; V424-I430 HydrophobicContact CB-CG1 4.06Å; V424-I430 HydrophobicContact CG1-CB 4.24Å; V424-I430 HydrophobicContact CG1-CD1 3.79Å; V424-I430 HydrophobicContact CG1-CG1 3.75Å; V424-I430 HydrophobicContact CG1-CG2 3.72Å
425E93.1Very high92.3Very high41 Ų4149.6 Ų49.619%0.19226%0.26CS..Hα-helixtrans-67.2-40.3176-172-169.5-176.800112.1L421 L422 A423 V427 G428 I430 R432L421-E425 PolarHBondContact O-N 3.04Å; L422-E425 WeakPolarHBondContact CD2-OE2 3.3Å; L422-E425 WeakPolarHBondContact O-CB 3.25Å; L422-E425 PolarHBondContact O-N 3.47Å; A423-E425 VanDerWaalsContact C-N 3.33Å; E425-V427 PolarHBondContact O-N 2.86Å; E425-G428 VanDerWaalsContact O-CA 3.32Å; E425-G428 WeakPolarHBondContact O-CA 3.2Å; E425-G428 PolarHBondContact O-N 3.4Å; E425-I430 HydrophobicContact CB-CD1 4.5Å; E425-I430 HydrophobicContact CB-CG1 3.94Å; E425-R432 VanDerWaalsContact CD-NH2 3.27Å; E425-R432 WeakPolarHBondContact OE1-CG 3.33Å; E425-R432 IonicContact OE1-CZ 3.25Å; E425-R432 IonicContact OE1-NE 2.6Å; E425-R432 PolarHBondContact OE1-NE 3.49Å; E425-R432 IonicContact OE1-NH2 2.65Å; E425-R432 PolarHBondContact OE1-NH2 2.89Å; E425-R432 IonicContact OE2-CZ 2.67Å; E425-R432 VanDerWaalsContact OE2-CZ 3.23Å; E425-R432 IonicContact OE2-NE 3.07Å; E425-R432 PolarHBondContact OE2-NE 2.67Å; E425-R432 IonicContact OE2-NH2 3.33Å; E425-R432 PolarHBondContact OE2-NH2 3.36Å
426E91.3Very high92.4Very high141 Ų14155.6 Ų55.666%0.65928%0.283SS*.Hα-helixtrans-59.7-31.9175.1-77.1174.5-173.100112.2L422 A423 G428L422-E426 WeakPolarHBondContact O-CG 3.45Å; L422-E426 PolarHBondContact O-N 2.83Å; A423-E426 PolarHBondContact O-N 3.47Å; E426-G428 VanDerWaalsContact C-N 3.26Å
427V90.1Very high92.3Very high91 Ų9160 Ų6055%0.55232%0.32SS*.THydrogen-bonded Turntrans-76.2-15.8172.8-178.40000112L388 A423 V424 E425 L429L388-V427 HydrophobicContact CD1-CG2 4.23Å; A423-V427 WeakPolarHBondContact O-CG2 3.49Å; A423-V427 PolarHBondContact O-N 3.16Å; V424-V427 PolarHBondContact O-N 3.25Å; E425-V427 PolarHBondContact O-N 2.86Å; V427-L429 HydrophobicContact CB-CD1 4.44Å; V427-L429 HydrophobicContact CB-CG 4.43Å; V427-L429 HydrophobicContact CG1-CD1 3.93Å; V427-L429 HydrophobicContact CG1-CG 3.97Å
428G91Very high92.3Very high20 Ų2061.5 Ų61.521%0.20634%0.335CS..THydrogen-bonded Turntrans85.812.6178.900000114.6V424 E425 E426 N444 L447V424-G428 PolarHBondContact O-N 3.32Å; E425-G428 VanDerWaalsContact O-CA 3.32Å; E425-G428 WeakPolarHBondContact O-CA 3.2Å; E425-G428 PolarHBondContact O-N 3.4Å; E426-G428 VanDerWaalsContact C-N 3.26Å; G428-N444 WeakPolarHBondContact O-CB 3.45Å; G428-N444 PolarHBondContact O-ND2 3.23Å; G428-L447 WeakPolarHBondContact O-CD1 3.38Å
429L90.3Very high92.3Very high76 Ų7658.7 Ų58.740%0.39832%0.324SS..SBendtrans-80.3-27.4-177.9-63.9169.6000112.9V392 V424 V427 N444V392-L429 HydrophobicContact CG2-CB 3.73Å; V392-L429 HydrophobicContact CG2-CD1 3.87Å; V392-L429 HydrophobicContact CG2-CG 4.39Å; V424-L429 HydrophobicContact CG1-CB 3.8Å; V424-L429 HydrophobicContact CG1-CD1 4.43Å; V424-L429 PolarHBondContact O-N 3.38Å; V427-L429 HydrophobicContact CB-CD1 4.44Å; V427-L429 HydrophobicContact CB-CG 4.43Å; V427-L429 HydrophobicContact CG1-CD1 3.93Å; V427-L429 HydrophobicContact CG1-CG 3.97Å; L429-N444 VanDerWaalsContact O-CB 3.31Å; L429-N444 WeakPolarHBondContact O-CB 3.37Å; L429-N444 PolarHBondContact O-N 3.5Å
430I94.2Very high92.5Very high3 Ų362.4 Ų62.42%0.01534%0.338CS..EExtended strand (participates in β ladder)trans-125157.5175.467.6-178.1000110V392 V395 L421 V424 E425 F441 Y442V392-I430 HydrophobicContact CG2-CG2 4.4Å; V395-I430 HydrophobicContact CB-CG2 4.49Å; V395-I430 HydrophobicContact CG1-CG2 4.22Å; V395-I430 HydrophobicContact CG2-CG2 4.45Å; L421-I430 HydrophobicContact CB-CD1 4.36Å; L421-I430 HydrophobicContact CD2-CD1 3.8Å; L421-I430 WeakPolarHBondContact O-CD1 3.48Å; V424-I430 HydrophobicContact CB-CD1 3.76Å; V424-I430 HydrophobicContact CB-CG1 4.06Å; V424-I430 HydrophobicContact CG1-CB 4.24Å; V424-I430 HydrophobicContact CG1-CD1 3.79Å; V424-I430 HydrophobicContact CG1-CG1 3.75Å; V424-I430 HydrophobicContact CG1-CG2 3.72Å; E425-I430 HydrophobicContact CB-CD1 4.5Å; E425-I430 HydrophobicContact CB-CG1 3.94Å; I430-F441 HydrophobicContact CD1-CB 3.99Å; I430-F441 HydrophobicContact CD1-CD1 3.58Å; I430-F441 HydrophobicContact CD1-CE1 4.36Å; I430-F441 HydrophobicContact CD1-CG 4.01Å; I430-F441 HydrophobicContact CG1-CD1 4.09Å; I430-Y442 CarbonylContact C-O 3.53Å; I430-Y442 WeakPolarHBondContact CA-O 3.44Å; I430-Y442 VanDerWaalsContact CB-O 3.25Å; I430-Y442 WeakPolarHBondContact CB-O 3.32Å
431C94.3Very high92.7Very high28 Ų2860.9 Ų60.919%0.18933%0.332CS..EExtended strand (participates in β ladder)trans-117.5149.2172.356.30000110.4F441 Y442 F446C431-F441 WeakPolarHBondContact O-CA 3.31Å; C431-Y442 PolarHBondContact N-O 3.04Å; C431-Y442 PolarHBondContact O-N 3.32Å; C431-F446 HydrophobicContact CB-CE2 4.43Å
432R94.5Very high92.8Very high130 Ų13064.4 Ų64.449%0.49135%0.346SS..EExtended strand (participates in β ladder)trans-90.1142.6174.871.7174.368.6169.68.3111.4E425 L439 F441E425-R432 VanDerWaalsContact CD-NH2 3.27Å; E425-R432 WeakPolarHBondContact OE1-CG 3.33Å; E425-R432 IonicContact OE1-CZ 3.25Å; E425-R432 IonicContact OE1-NE 2.6Å; E425-R432 PolarHBondContact OE1-NE 3.49Å; E425-R432 IonicContact OE1-NH2 2.65Å; E425-R432 PolarHBondContact OE1-NH2 2.89Å; E425-R432 IonicContact OE2-CZ 2.67Å; E425-R432 VanDerWaalsContact OE2-CZ 3.23Å; E425-R432 IonicContact OE2-NE 3.07Å; E425-R432 PolarHBondContact OE2-NE 2.67Å; E425-R432 IonicContact OE2-NH2 3.33Å; E425-R432 PolarHBondContact OE2-NH2 3.36Å; R432-L439 HydrophobicContact CB-CD1 4Å; R432-F441 HydrophobicContact CB-CD1 4.24Å; R432-F441 HydrophobicContact CB-CE1 4.05Å
433D94.8Very high92.9Very high67 Ų6763 Ų6336%0.35834%0.339SS..EExtended strand (participates in β ladder)trans-119106.2166.7177.228.3000107.2R440 Y442D433-R440 PolarHBondContact N-O 2.97Å; D433-R440 PolarHBondContact O-N 3.06Å; D433-Y442 HydrophobicContact CB-CD2 3.89Å; D433-Y442 HydrophobicContact CB-CE2 3.65Å
434D95Very high92.9Very high122 Ų12263.5 Ų63.565%0.65234%0.34SS*.EExtended strand (participates in β ladder)trans-107.2104.2-179.2-164.90.3000108.6L439D434-L439 HydrophobicContact CB-CD1 4.11Å
435S93.7Very high92.8Very high53 Ų5368.1 Ų68.137%0.37136%0.358SS..EExtended strand (participates in β ladder)trans-128.8173.3-176.969.70000110.5A437 G438S435-A437 PolarHBondContact O-N 2.91Å; S435-A437 VanDerWaalsContact O-N 3.1Å; S435-A437 PolarHBondContact OG-N 3.1Å; S435-G438 WeakPolarHBondContact O-CA 3.47Å; S435-G438 PolarHBondContact O-N 3.09Å
436E93Very high92.6Very high211 Ų21174.7 Ų74.799%0.98639%0.386SS*.THydrogen-bonded Turntrans-58.5-23.3174-62.8-176.3173.400113G438E436-G438 PolarHBondContact O-N 3.23Å
437A87.9Confident92.4Very high96 Ų9673.8 Ų73.879%0.79339%0.385SS*.THydrogen-bonded Turntrans-75.3-10.7175.200000113.3S435S435-A437 PolarHBondContact O-N 2.91Å; S435-A437 VanDerWaalsContact O-N 3.1Å; S435-A437 PolarHBondContact OG-N 3.1Å
438G91Very high92Very high31 Ų3174.3 Ų74.332%0.3239%0.389SS..EExtended strand (participates in β ladder)trans113.4178.8-179.800000113.5S435 E436S435-G438 WeakPolarHBondContact O-CA 3.47Å; S435-G438 PolarHBondContact O-N 3.09Å; E436-G438 PolarHBondContact O-N 3.23Å
439L92.8Very high91.5Very high43 Ų4380.7 Ų80.723%0.22541%0.407CS..EExtended strand (participates in β ladder)trans-83.2115.4-177.6-178.366.5000111R432 D434 F441R432-L439 HydrophobicContact CB-CD1 4Å; D434-L439 HydrophobicContact CB-CD1 4.11Å; L439-F441 HydrophobicContact CD1-CZ 4.44Å; L439-F441 HydrophobicContact CD2-CE2 3.84Å; L439-F441 HydrophobicContact CD2-CZ 3.87Å; L439-F441 HydrophobicContact CG-CE2 3.85Å; L439-F441 HydrophobicContact CG-CZ 4.12Å
440R94.6Very high90.2Very high82 Ų8286.1 Ų86.131%0.30943%0.43SS..EExtended strand (participates in β ladder)trans-117.9152.5172.9-74.7-174.2166.5-91-13.8110.7S400 E405 D433 Y442S400-R440 PolarHBondContact OG-NH1 3.34Å; E405-R440 IonicContact OE1-CZ 2.66Å; E405-R440 IonicContact OE1-NH1 3.41Å; E405-R440 IonicContact OE1-NH2 2.86Å; E405-R440 PolarHBondContact OE1-NH2 3.03Å; E405-R440 IonicContact OE2-NH1 2.67Å; D433-R440 PolarHBondContact N-O 2.97Å; D433-R440 PolarHBondContact O-N 3.06Å; R440-Y442 HydrophobicContact CB-CE2 3.93Å
441F95.7Very high88.4Confident0 Ų096 Ų960%048%0.483CS..EExtended strand (participates in β ladder)trans-117.2139.5175.6-65.4-93000110.6S400 L401 V403 L421 L422 I430 C431 R432 L439S400-F441 CarbonylContact C-O 3.55Å; S400-F441 WeakPolarHBondContact CA-O 3.31Å; L401-F441 PolarHBondContact N-O 3.34Å; L401-F441 PolarHBondContact O-N 2.66Å; V403-F441 HydrophobicContact CG2-CE2 4.1Å; L421-F441 HydrophobicContact CB-CD1 4.31Å; L421-F441 HydrophobicContact CB-CD2 4.03Å; L421-F441 HydrophobicContact CB-CE1 4.07Å; L421-F441 HydrophobicContact CB-CE2 3.77Å; L421-F441 HydrophobicContact CB-CG 4.28Å; L421-F441 HydrophobicContact CB-CZ 3.78Å; L421-F441 HydrophobicContact CD1-CD2 3.66Å; L421-F441 HydrophobicContact CD1-CE2 3.74Å; L421-F441 HydrophobicContact CD1-CG 4.45Å; L421-F441 HydrophobicContact CD2-CB 4.2Å; L421-F441 HydrophobicContact CD2-CD2 4.09Å; L421-F441 HydrophobicContact CD2-CG 4.06Å; L421-F441 HydrophobicContact CG-CD2 4.12Å; L421-F441 HydrophobicContact CG-CE2 4.24Å; L421-F441 HydrophobicContact CG-CG 4.48Å; L422-F441 HydrophobicContact CD2-CZ 4.28Å; I430-F441 HydrophobicContact CD1-CB 3.99Å; I430-F441 HydrophobicContact CD1-CD1 3.58Å; I430-F441 HydrophobicContact CD1-CE1 4.36Å; I430-F441 HydrophobicContact CD1-CG 4.01Å; I430-F441 HydrophobicContact CG1-CD1 4.09Å; C431-F441 WeakPolarHBondContact O-CA 3.31Å; R432-F441 HydrophobicContact CB-CD1 4.24Å; R432-F441 HydrophobicContact CB-CE1 4.05Å; L439-F441 HydrophobicContact CD1-CZ 4.44Å; L439-F441 HydrophobicContact CD2-CE2 3.84Å; L439-F441 HydrophobicContact CD2-CZ 3.87Å; L439-F441 HydrophobicContact CG-CE2 3.85Å; L439-F441 HydrophobicContact CG-CZ 4.12Å
442Y94.9Very high88.1Confident73 Ų7399.4 Ų99.429%0.28650%0.498SS..EExtended strand (participates in β ladder)trans-126.6155.2-179.2-69.7-94.3000110.6I399 I430 C431 D433 R440 N444I399-Y442 VanDerWaalsContact O-CD1 3.31Å; I399-Y442 WeakPolarHBondContact O-CD1 3.39Å; I430-Y442 CarbonylContact C-O 3.53Å; I430-Y442 WeakPolarHBondContact CA-O 3.44Å; I430-Y442 VanDerWaalsContact CB-O 3.25Å; I430-Y442 WeakPolarHBondContact CB-O 3.32Å; C431-Y442 PolarHBondContact N-O 3.04Å; C431-Y442 PolarHBondContact O-N 3.32Å; D433-Y442 HydrophobicContact CB-CD2 3.89Å; D433-Y442 HydrophobicContact CB-CE2 3.65Å; R440-Y442 HydrophobicContact CB-CE2 3.93Å; Y442-N444 PolarHBondContact O-N 3.28Å
443P93.8Very high87.8Confident4 Ų497.8 Ų97.83%0.02650%0.498CS..EExtended strand (participates in β ladder)trans-56.8138.3168.7-20.232.5000110.1V395 E396 I399 Y445V395-P443 HydrophobicContact CG1-CG 4.03Å; E396-P443 HydrophobicContact CG-CB 4.2Å; E396-P443 HydrophobicContact CG-CG 3.93Å; I399-P443 WeakPolarHBondContact O-CD 3.46Å; P443-Y445 VanDerWaalsContact C-N 3.29Å; P443-Y445 HydrophobicContact CB-CE1 4.01Å; P443-Y445 HydrophobicContact CB-CE2 4.39Å; P443-Y445 PolarHBondContact O-N 2.83Å
444N92.9Very high87.4Confident21 Ų2199.5 Ų99.511%0.11251%0.506CS..  trans-76.779.7-176.1-169.2-3.1000112.2G428 L429 Y442 F446 L447 T448G428-N444 WeakPolarHBondContact O-CB 3.45Å; G428-N444 PolarHBondContact O-ND2 3.23Å; L429-N444 VanDerWaalsContact O-CB 3.31Å; L429-N444 WeakPolarHBondContact O-CB 3.37Å; L429-N444 PolarHBondContact O-N 3.5Å; Y442-N444 PolarHBondContact O-N 3.28Å; N444-F446 PolarHBondContact O-N 3.46Å; N444-F446 WeakPolarHBondContact OD1-CB 3.36Å; N444-F446 WeakPolarHBondContact OD1-CD2 3.4Å; N444-F446 PolarHBondContact OD1-N 3.26Å; N444-L447 VanDerWaalsContact ND2-CD1 3.3Å; N444-L447 WeakPolarHBondContact ND2-CD1 3.45Å; N444-L447 WeakPolarHBondContact ND2-CG 3.39Å; N444-L447 PolarHBondContact O-N 3.28Å; N444-T448 PolarHBondContact O-N 2.8Å; N444-T448 PolarHBondContact O-OG1 2.93Å
445Y89.5Confident87Confident97 Ų9798.2 Ų98.238%0.3850%0.497SS..Hα-helixtrans-65.7-20.9177.7-63.3-50000113.7P443 L447 T448 R449P443-Y445 VanDerWaalsContact C-N 3.29Å; P443-Y445 HydrophobicContact CB-CE1 4.01Å; P443-Y445 HydrophobicContact CB-CE2 4.39Å; P443-Y445 PolarHBondContact O-N 2.83Å; Y445-L447 PolarHBondContact O-N 3.35Å; Y445-T448 WeakPolarHBondContact CA-OG1 3.47Å; Y445-T448 PolarHBondContact O-N 3.26Å; Y445-R449 HydrophobicContact CD1-CG 4.48Å; Y445-R449 WeakPolarHBondContact O-CB 3.3Å; Y445-R449 PolarHBondContact O-N 3.41Å
446F89.4Confident86.5Confident179 Ų179101 Ų10179%0.78551%0.505SS*.Hα-helixtrans-63-25.8176.2-55.4-72.1000112.7C431 N444C431-F446 HydrophobicContact CB-CE2 4.43Å; N444-F446 PolarHBondContact O-N 3.46Å; N444-F446 WeakPolarHBondContact OD1-CB 3.36Å; N444-F446 WeakPolarHBondContact OD1-CD2 3.4Å; N444-F446 PolarHBondContact OD1-N 3.26Å
447L86.9Confident86.1Confident122 Ų12293.7 Ų93.764%0.63947%0.473SS*.Hα-helixtrans-98.2-33176.4-63.9-177.6000112.9G428 N444 Y445G428-L447 WeakPolarHBondContact O-CD1 3.38Å; N444-L447 VanDerWaalsContact ND2-CD1 3.3Å; N444-L447 WeakPolarHBondContact ND2-CD1 3.45Å; N444-L447 WeakPolarHBondContact ND2-CG 3.39Å; N444-L447 PolarHBondContact O-N 3.28Å; Y445-L447 PolarHBondContact O-N 3.35Å
448T82.6Confident86Confident102 Ų10293.5 Ų93.563%0.62645%0.45SS*.Hα-helixtrans-88.3-29.7-174.361.50000113.9N444 Y445N444-T448 PolarHBondContact O-N 2.8Å; N444-T448 PolarHBondContact O-OG1 2.93Å; Y445-T448 WeakPolarHBondContact CA-OG1 3.47Å; Y445-T448 PolarHBondContact O-N 3.26Å
449R79.2Confident85.6Confident154 Ų15498.3 Ų98.358%0.58146%0.46SS*.  trans-100.2104177.7-70.2-170.5178.3173.61.1109.2Y445 D451Y445-R449 HydrophobicContact CD1-CG 4.48Å; Y445-R449 WeakPolarHBondContact O-CB 3.3Å; Y445-R449 PolarHBondContact O-N 3.41Å; R449-D451 VanDerWaalsContact C-N 3.27Å; R449-D451 PolarHBondContact O-N 3.24Å
450Q62.6Low85Confident190 Ų190102.9 Ų102.989%0.88848%0.48SS*.  trans-83.276.5163.3-66.4-178.9-8.900107.8
451D57.9Low84.1Confident211 Ų211104.8 Ų104.8100%1.12850%0.496SS*.  trans-86.10166.3-71.8-28.6000110.5R449R449-D451 VanDerWaalsContact C-N 3.27Å; R449-D451 PolarHBondContact O-N 3.24Å

Retrieved 451 of 451 residues in 142.3 ms (Link to these results)

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