A0A087WW48_HUMAN Loading...

PHD finger protein 2

AlphaFold DB , UniProt , Accession A0A087WW48, Species HUMAN (Homo sapiens, Human), Gene PHF2, Length 328 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
1M67.3Low89.2Confident238 Ų23897.9 Ų97.9100%1.17256%0.555SS**  0143.70-71160.5167.100107.9
2A70.3Confident89.7Confident107 Ų10796.1 Ų96.188%0.88454%0.542SS*.  trans-84.6114.7171.400000108.7
3T86.4Confident90.1Very high131 Ų13193.5 Ų93.580%0.80453%0.532SS*.PPolyproline II helixtrans-81.5124.4175.648.40000109.6
4V91.3Very high90.4Very high105 Ų10596.7 Ų96.764%0.63653%0.533SS*.PPolyproline II helixtrans-62.1131.4171-177.40000108.2P13V4-P13 HydrophobicContact CG1-CB 3.87Å
5P93.3Very high90.7Very high77 Ų7792.7 Ų92.750%0.551%0.51SS..PPolyproline II helixtrans-65.8137.6177.828.2-35000110.4Y7P5-Y7 HydrophobicContact CB-CE2 4.02Å; P5-Y7 HydrophobicContact CG-CE2 4.13Å
6V95.7Very high90.8Very high74 Ų7494.6 Ų94.645%0.44853%0.525SS..EExtended strand (participates in β ladder)trans-118.2143.1179.2-66.90000110.5R11 L12V6-R11 HydrophobicContact CB-CB 4.49Å; V6-R11 WeakPolarHBondContact CG1-O 3.4Å; V6-R11 HydrophobicContact CG2-CB 4.38Å; V6-L12 WeakPolarHBondContact CA-O 3.42Å
7Y95.9Very high91Very high68 Ų6896.3 Ų96.327%0.26754%0.538SS..EExtended strand (participates in β ladder)trans-127.9169.9-169.2-56.9-81.2000110.8P5 R11 L12 W29P5-Y7 HydrophobicContact CB-CE2 4.02Å; P5-Y7 HydrophobicContact CG-CE2 4.13Å; Y7-R11 VanDerWaalsContact O-CA 3.28Å; Y7-R11 WeakPolarHBondContact O-CA 3.21Å; Y7-R11 PolarHBondContact O-N 3.15Å; Y7-L12 PolarHBondContact N-O 2.83Å; Y7-L12 PolarHBondContact O-N 2.91Å; Y7-W29 HydrophobicContact CD1-CB 4.1Å; Y7-W29 HydrophobicContact CG-CB 4.44Å
8C96.1Very high91.2Very high0 Ų097.9 Ų97.90%054%0.535CS..THydrogen-bonded Turntrans63.5174.1173.5-166.30000113.8C10 R11 M20 D28 W29 F30 H31 C34C8-C10 PolarHBondContact O-N 3.22Å; C8-R11 WeakPolarHBondContact O-CD 3.15Å; C8-R11 PolarHBondContact O-N 3.41Å; C8-R11 PolarHBondContact O-NH1 3.49Å; C8-M20 HydrophobicContact CB-CE 4.47Å; C8-D28 PolarHBondContact N-OD1 3.33Å; C8-W29 WeakPolarHBondContact CA-O 3.44Å; C8-W29 WeakPolarHBondContact CB-O 3.38Å; C8-W29 PolarHBondContact N-O 3.12Å; C8-F30 HydrophobicContact CB-CD1 4.45Å; C8-H31 PolarHBondContact SG-N 3.13Å; C8-H31 VanDerWaalsContact SG-N 3.39Å; C8-C34 VanDerWaalsContact SG-CB 3.57Å
9V94.8Very high91.5Very high84 Ų8495.8 Ų95.851%0.50952%0.52SS..THydrogen-bonded Turntrans-63.2-25.7174.6-63.90000112.9F30 C34V9-F30 HydrophobicContact CG1-CD1 4.33Å; V9-F30 HydrophobicContact CG1-CE1 4.02Å; V9-C34 HydrophobicContact CG2-CB 4.06Å
10C95.8Very high91.7Very high53 Ų5391.9 Ų91.936%0.35850%0.498SS..THydrogen-bonded Turntrans-82.7-7.6178.759.40000114.6C8 L12 H31C8-C10 PolarHBondContact O-N 3.22Å; C10-L12 VanDerWaalsContact C-N 3.25Å; C10-L12 HydrophobicContact CB-CD1 4.4Å; C10-L12 HydrophobicContact CB-CG 4.34Å; C10-L12 PolarHBondContact O-N 3.32Å; C10-H31 VanDerWaalsContact SG-CE1 3.59Å; C10-H31 PolarHBondContact SG-ND1 3.47Å; C10-H31 VanDerWaalsContact SG-ND1 3.36Å
11R94.9Very high92Very high140 Ų14088.3 Ų88.353%0.52848%0.479SS..THydrogen-bonded Turntrans5142178.1-58.1-58.5-178.9-154.25.5114V6 Y7 C8 D28V6-R11 HydrophobicContact CB-CB 4.49Å; V6-R11 WeakPolarHBondContact CG1-O 3.4Å; V6-R11 HydrophobicContact CG2-CB 4.38Å; Y7-R11 VanDerWaalsContact O-CA 3.28Å; Y7-R11 WeakPolarHBondContact O-CA 3.21Å; Y7-R11 PolarHBondContact O-N 3.15Å; C8-R11 WeakPolarHBondContact O-CD 3.15Å; C8-R11 PolarHBondContact O-N 3.41Å; C8-R11 PolarHBondContact O-NH1 3.49Å; R11-D28 IonicContact CZ-OD2 2.85Å; R11-D28 IonicContact NH1-OD2 3.39Å; R11-D28 PolarHBondContact NH1-OD2 3.17Å; R11-D28 IonicContact NH2-OD2 2.65Å
12L94.3Very high93.4Very high76 Ų7680.7 Ų80.740%0.39844%0.44SS..EExtended strand (participates in β ladder)trans-93.5155.6172.2-68.6176.5000111V6 Y7 C10V6-L12 WeakPolarHBondContact CA-O 3.42Å; Y7-L12 PolarHBondContact N-O 2.83Å; Y7-L12 PolarHBondContact O-N 2.91Å; C10-L12 VanDerWaalsContact C-N 3.25Å; C10-L12 HydrophobicContact CB-CD1 4.4Å; C10-L12 HydrophobicContact CB-CG 4.34Å; C10-L12 PolarHBondContact O-N 3.32Å
13P95Very high94.7Very high63 Ų6375.6 Ų75.641%0.40940%0.398SS..EExtended strand (participates in β ladder)trans-65.5164168.531.2-36.9000111.2V4V4-P13 HydrophobicContact CG1-CB 3.87Å
14Y94.4Very high95.2Very high138 Ų13873.3 Ų73.354%0.54138%0.381SS..PPolyproline II helixtrans-59.9136.6177.2176.1-110.4000112.3V16 M20Y14-V16 HydrophobicContact CE1-CG2 3.87Å; Y14-M20 HydrophobicContact CD2-SD 3.63Å; Y14-M20 HydrophobicContact CE2-SD 3.95Å
15D94.7Very high95.5Very high37 Ų3770.2 Ų70.220%0.19837%0.366CS..  trans-130.4118-177.2-178.7-8.2000110.2T17 R18D15-T17 VanDerWaalsContact CG-OG1 3.28Å; D15-T17 PolarHBondContact O-N 3.18Å; D15-T17 WeakPolarHBondContact OD1-CB 3.31Å; D15-T17 PolarHBondContact OD1-N 3.47Å; D15-T17 PolarHBondContact OD1-OG1 3.49Å; D15-T17 PolarHBondContact OD2-OG1 3.35Å; D15-R18 HydrophobicContact CB-CB 4.49Å; D15-R18 HydrophobicContact CB-CG 4.46Å; D15-R18 PolarHBondContact O-N 2.95Å; D15-R18 WeakPolarHBondContact OD2-CD 3.26Å; D15-R18 IonicContact OD2-CZ 3.6Å; D15-R18 IonicContact OD2-NE 3.54Å; D15-R18 IonicContact OD2-NH1 2.62Å; D15-R18 PolarHBondContact OD2-NH1 3.27Å
16V92.6Very high95.6Very high122 Ų12269.4 Ų69.474%0.73936%0.362SS*.THydrogen-bonded Turntrans-67.1-20.7-177.9-169.20000112.2Y14 R18Y14-V16 HydrophobicContact CE1-CG2 3.87Å; V16-R18 VanDerWaalsContact C-N 3.34Å
17T95.1Very high95.7Very high124 Ų12471.3 Ų71.376%0.76136%0.364SS*.THydrogen-bonded Turntrans-84.7-6.9-177.768.70000113.8D15D15-T17 VanDerWaalsContact CG-OG1 3.28Å; D15-T17 PolarHBondContact O-N 3.18Å; D15-T17 WeakPolarHBondContact OD1-CB 3.31Å; D15-T17 PolarHBondContact OD1-N 3.47Å; D15-T17 PolarHBondContact OD1-OG1 3.49Å; D15-T17 PolarHBondContact OD2-OG1 3.35Å
18R94.3Very high95.7Very high125 Ų12569.6 Ų69.647%0.47236%0.359SS..SBendtrans-116.9126.8-175.6-67.5178.8167.7123.4-7.5110.4D15 V16 M20D15-R18 HydrophobicContact CB-CB 4.49Å; D15-R18 HydrophobicContact CB-CG 4.46Å; D15-R18 PolarHBondContact O-N 2.95Å; D15-R18 WeakPolarHBondContact OD2-CD 3.26Å; D15-R18 IonicContact OD2-CZ 3.6Å; D15-R18 IonicContact OD2-NE 3.54Å; D15-R18 IonicContact OD2-NH1 2.62Å; D15-R18 PolarHBondContact OD2-NH1 3.27Å; V16-R18 VanDerWaalsContact C-N 3.34Å; R18-M20 PolarHBondContact O-N 2.6Å
19F95.9Very high95.8Very high58 Ų5874.3 Ų74.325%0.25438%0.377SS..  trans-57.8131.9169.9168.3-107.5000110.8I21 H31 G32 V37 E39 A42F19-I21 HydrophobicContact CE1-CB 4.35Å; F19-I21 HydrophobicContact CZ-CB 3.9Å; F19-H31 WeakPolarHBondContact O-CA 3.41Å; F19-G32 PolarHBondContact O-N 3.25Å; F19-V37 HydrophobicContact CE1-CG1 4.09Å; F19-E39 HydrophobicContact CB-CB 4.25Å; F19-E39 HydrophobicContact CB-CG 4.26Å; F19-E39 HydrophobicContact CD1-CB 4.37Å; F19-E39 HydrophobicContact CD2-CG 4.12Å; F19-E39 HydrophobicContact CG-CB 4.09Å; F19-E39 HydrophobicContact CG-CG 4.11Å; F19-A42 HydrophobicContact CE1-CB 3.87Å; F19-A42 HydrophobicContact CE2-CB 3.76Å; F19-A42 HydrophobicContact CZ-CB 3.23Å
20M96.8Very high95.9Very high17 Ų1770.7 Ų70.78%0.08436%0.355CS..EExtended strand (participates in β ladder)trans-133.6146.5177.5-59.4-169.680.300111.9C8 Y14 R18 W29 F30C8-M20 HydrophobicContact CB-CE 4.47Å; Y14-M20 HydrophobicContact CD2-SD 3.63Å; Y14-M20 HydrophobicContact CE2-SD 3.95Å; R18-M20 PolarHBondContact O-N 2.6Å; M20-W29 HydrophobicContact CB-CE3 3.88Å; M20-W29 HydrophobicContact CB-CZ3 4.46Å; M20-W29 HydrophobicContact CE-CB 3.9Å; M20-F30 CarbonylContact C-O 3.4Å; M20-F30 WeakPolarHBondContact CA-O 3.29Å
21I97.1Very high96Very high18 Ų1868.3 Ų68.39%0.09234%0.338CS..EExtended strand (participates in β ladder)trans-124.7137.9179.5-167.7163.9000111.2F19 F30 V37 I45 Y48F19-I21 HydrophobicContact CE1-CB 4.35Å; F19-I21 HydrophobicContact CZ-CB 3.9Å; I21-F30 HydrophobicContact CG2-CB 4.41Å; I21-F30 PolarHBondContact N-O 2.77Å; I21-F30 PolarHBondContact O-N 2.98Å; I21-V37 HydrophobicContact CD1-CG1 4.34Å; I21-I45 HydrophobicContact CD1-CD1 3.99Å; I21-Y48 HydrophobicContact CB-CD1 4.42Å; I21-Y48 HydrophobicContact CD1-CD1 4.28Å; I21-Y48 HydrophobicContact CD1-CD2 3.98Å; I21-Y48 HydrophobicContact CD1-CG 3.7Å; I21-Y48 HydrophobicContact CG1-CD1 3.98Å; I21-Y48 HydrophobicContact CG1-CG 3.88Å; I21-Y48 HydrophobicContact CG2-CD1 3.73Å; I21-Y48 HydrophobicContact CG2-CD2 4.5Å; I21-Y48 HydrophobicContact CG2-CE1 3.71Å; I21-Y48 HydrophobicContact CG2-CE2 4.48Å; I21-Y48 HydrophobicContact CG2-CG 4.16Å
22E97.2Very high96Very high78 Ų7861.7 Ų61.736%0.36431%0.314SS..EExtended strand (participates in β ladder)trans-84.7133.8176.7-170.6-176.7140.500110.7K27 W29E22-K27 VanDerWaalsContact OE1-CD 3.25Å; E22-K27 WeakPolarHBondContact OE1-CD 3.36Å; E22-K27 IonicContact OE1-NZ 3.88Å; E22-W29 HydrophobicContact CB-CD2 4.13Å; E22-W29 HydrophobicContact CB-CH2 4.38Å; E22-W29 HydrophobicContact CB-CZ2 3.9Å; E22-W29 HydrophobicContact CG-CZ2 4.36Å; E22-W29 WeakPolarHBondContact OE2-CZ2 3.33Å; E22-W29 PolarHBondContact OE2-NE1 2.83Å
23C97.6Very high96Very high0 Ų063.2 Ų63.20%033%0.331CS..  trans-86.7123.4173.3176.90000111.2A25 C26 K27 D28 F30 Y48 C50C23-A25 VanDerWaalsContact C-N 3.33Å; C23-A25 PolarHBondContact O-N 3.33Å; C23-C26 VanDerWaalsContact CB-SG 3.58Å; C23-C26 PolarHBondContact O-N 3.03Å; C23-K27 VanDerWaalsContact O-CA 3.32Å; C23-K27 WeakPolarHBondContact O-CA 3.27Å; C23-K27 PolarHBondContact O-N 3.46Å; C23-D28 PolarHBondContact N-O 3Å; C23-F30 HydrophobicContact CB-CD2 4.07Å; C23-F30 HydrophobicContact CB-CE2 3.66Å; C23-Y48 CarbonylContact C-O 3.51Å; C23-Y48 WeakPolarHBondContact CA-O 3.45Å; C23-Y48 HydrophobicContact CB-CD1 4.06Å; C23-Y48 HydrophobicContact CB-CE1 4.27Å; C23-C50 HydrophobicContact CB-CB 4.17Å; C23-C50 PolarHBondContact SG-N 3.42Å
24D97.5Very high96.1Very high83 Ų8362.9 Ų62.944%0.44433%0.329SS..THydrogen-bonded Turntrans-62.8-38-174.1-171.758.1000113.2K27 I47 Y48D24-K27 WeakPolarHBondContact O-CD 3.37Å; D24-K27 WeakPolarHBondContact O-CE 2.96Å; D24-K27 PolarHBondContact O-NZ 2.85Å; D24-K27 IonicContact OD1-NZ 3.8Å; D24-K27 PolarHBondContact OD1-NZ 3.42Å; D24-I47 HydrophobicContact CB-CG2 3.54Å; D24-Y48 PolarHBondContact N-O 2.97Å
25A96.6Very high96.1Very high39 Ų3957.7 Ų57.732%0.32231%0.312SS..THydrogen-bonded Turntrans-70.2-41.3-178.300000115C23 C53 H57C23-A25 VanDerWaalsContact C-N 3.33Å; C23-A25 PolarHBondContact O-N 3.33Å; A25-C53 HydrophobicContact CB-CB 3.73Å; A25-H57 WeakPolarHBondContact CB-CD2 3.38Å
26C96.3Very high96.1Very high60 Ų6059.3 Ų59.341%0.40534%0.338SS..THydrogen-bonded Turntrans-111.8-9-174.867.20000115.1C23 D28C23-C26 VanDerWaalsContact CB-SG 3.58Å; C23-C26 PolarHBondContact O-N 3.03Å; C26-D28 PolarHBondContact O-N 3.21Å; C26-D28 VanDerWaalsContact O-N 3.09Å
27K96.7Very high96.2Very high114 Ų11454.4 Ų54.450%0.49631%0.308SS..  trans57.816.8-179.8-49.9-58.9-174.5-173.30115.1E22 C23 D24E22-K27 VanDerWaalsContact OE1-CD 3.25Å; E22-K27 WeakPolarHBondContact OE1-CD 3.36Å; E22-K27 IonicContact OE1-NZ 3.88Å; C23-K27 VanDerWaalsContact O-CA 3.32Å; C23-K27 WeakPolarHBondContact O-CA 3.27Å; C23-K27 PolarHBondContact O-N 3.46Å; D24-K27 WeakPolarHBondContact O-CD 3.37Å; D24-K27 WeakPolarHBondContact O-CE 2.96Å; D24-K27 PolarHBondContact O-NZ 2.85Å; D24-K27 IonicContact OD1-NZ 3.8Å; D24-K27 PolarHBondContact OD1-NZ 3.42Å
28D96.8Very high96.2Very high32 Ų3255.5 Ų55.517%0.17130%0.304CS..  trans-85.9154.2168.3-163.4-6.1000109.6C8 R11 C23 C26 F30C8-D28 PolarHBondContact N-OD1 3.33Å; R11-D28 IonicContact CZ-OD2 2.85Å; R11-D28 IonicContact NH1-OD2 3.39Å; R11-D28 PolarHBondContact NH1-OD2 3.17Å; R11-D28 IonicContact NH2-OD2 2.65Å; C23-D28 PolarHBondContact N-O 3Å; C26-D28 PolarHBondContact O-N 3.21Å; C26-D28 VanDerWaalsContact O-N 3.09Å; D28-F30 HydrophobicContact CB-CE2 3.84Å; D28-F30 HydrophobicContact CB-CZ 3.98Å; D28-F30 WeakPolarHBondContact O-CD2 3.25Å; D28-F30 VanDerWaalsContact O-CE2 3.29Å; D28-F30 WeakPolarHBondContact O-CE2 3.34Å
29W97Very high96.2Very high99 Ų9956.5 Ų56.538%0.37531%0.314SS..EExtended strand (participates in β ladder)trans-106.5133-174.7-78.768.6000110.4Y7 C8 M20 E22Y7-W29 HydrophobicContact CD1-CB 4.1Å; Y7-W29 HydrophobicContact CG-CB 4.44Å; C8-W29 WeakPolarHBondContact CA-O 3.44Å; C8-W29 WeakPolarHBondContact CB-O 3.38Å; C8-W29 PolarHBondContact N-O 3.12Å; M20-W29 HydrophobicContact CB-CE3 3.88Å; M20-W29 HydrophobicContact CB-CZ3 4.46Å; M20-W29 HydrophobicContact CE-CB 3.9Å; E22-W29 HydrophobicContact CB-CD2 4.13Å; E22-W29 HydrophobicContact CB-CH2 4.38Å; E22-W29 HydrophobicContact CB-CZ2 3.9Å; E22-W29 HydrophobicContact CG-CZ2 4.36Å; E22-W29 WeakPolarHBondContact OE2-CZ2 3.33Å; E22-W29 PolarHBondContact OE2-NE1 2.83Å
30F97.4Very high96.1Very high8 Ų862.1 Ų62.14%0.03534%0.341CS..EExtended strand (participates in β ladder)trans-121.9128.9-173.6-62.6-93.8000111C8 V9 M20 I21 C23 D28 G32 V35 Y48 C50C8-F30 HydrophobicContact CB-CD1 4.45Å; V9-F30 HydrophobicContact CG1-CD1 4.33Å; V9-F30 HydrophobicContact CG1-CE1 4.02Å; M20-F30 CarbonylContact C-O 3.4Å; M20-F30 WeakPolarHBondContact CA-O 3.29Å; I21-F30 HydrophobicContact CG2-CB 4.41Å; I21-F30 PolarHBondContact N-O 2.77Å; I21-F30 PolarHBondContact O-N 2.98Å; C23-F30 HydrophobicContact CB-CD2 4.07Å; C23-F30 HydrophobicContact CB-CE2 3.66Å; D28-F30 HydrophobicContact CB-CE2 3.84Å; D28-F30 HydrophobicContact CB-CZ 3.98Å; D28-F30 WeakPolarHBondContact O-CD2 3.25Å; D28-F30 VanDerWaalsContact O-CE2 3.29Å; D28-F30 WeakPolarHBondContact O-CE2 3.34Å; F30-G32 PolarHBondContact O-N 3.42Å; F30-V35 HydrophobicContact CB-CG1 3.81Å; F30-V35 HydrophobicContact CB-CG2 4.26Å; F30-V35 HydrophobicContact CD1-CG1 3.89Å; F30-V35 HydrophobicContact CG-CG1 4.12Å; F30-Y48 HydrophobicContact CD2-CE1 4.17Å; F30-C50 HydrophobicContact CD1-CB 4.29Å; F30-C50 HydrophobicContact CD2-CB 4.03Å; F30-C50 HydrophobicContact CE1-CB 3.92Å; F30-C50 HydrophobicContact CE2-CB 3.65Å; F30-C50 HydrophobicContact CG-CB 4.36Å; F30-C50 HydrophobicContact CZ-CB 3.6Å
31H96.8Very high95.8Very high3 Ų365.7 Ų65.71%0.01436%0.358CS..EExtended strand (participates in β ladder)trans-61.5131.8168.4-55108.2000109.4C8 C10 F19 S33 C34 V35C8-H31 PolarHBondContact SG-N 3.13Å; C8-H31 VanDerWaalsContact SG-N 3.39Å; C10-H31 VanDerWaalsContact SG-CE1 3.59Å; C10-H31 PolarHBondContact SG-ND1 3.47Å; C10-H31 VanDerWaalsContact SG-ND1 3.36Å; F19-H31 WeakPolarHBondContact O-CA 3.41Å; H31-S33 VanDerWaalsContact C-N 3.27Å; H31-S33 PolarHBondContact O-N 3.4Å; H31-C34 HydrophobicContact CB-CB 4.19Å; H31-C34 WeakPolarHBondContact O-CB 3.49Å; H31-C34 PolarHBondContact O-N 3.45Å; H31-V35 PolarHBondContact O-N 3.03Å
32G95.2Very high95.6Very high1 Ų165.6 Ų65.61%0.0136%0.36CS..Hα-helixtrans-54.1-44-178.100000113.1F19 F30 C34 V35 G36 V37F19-G32 PolarHBondContact O-N 3.25Å; F30-G32 PolarHBondContact O-N 3.42Å; G32-C34 PolarHBondContact O-N 3.27Å; G32-V35 CarbonylContact O-C 3.6Å; G32-V35 WeakPolarHBondContact O-CG2 3.42Å; G32-V35 PolarHBondContact O-N 2.83Å; G32-G36 PolarHBondContact O-N 3.08Å; G32-V37 CarbonylContact C-O 3.17Å; G32-V37 WeakPolarHBondContact CA-O 3.32Å; G32-V37 PolarHBondContact O-N 3.15Å
33S95.6Very high95.4Very high109 Ų10965.6 Ų65.676%0.76237%0.367SS*.Hα-helixtrans-64.7-18.6175.755.50000115.2H31H31-S33 VanDerWaalsContact C-N 3.27Å; H31-S33 PolarHBondContact O-N 3.4Å
34C95.7Very high95.2Very high55 Ų5568.7 Ų68.737%0.37238%0.383SS..Hα-helixtrans-87.3-10.5173.1-66.60000113.4C8 V9 H31 G32C8-C34 VanDerWaalsContact SG-CB 3.57Å; V9-C34 HydrophobicContact CG2-CB 4.06Å; H31-C34 HydrophobicContact CB-CB 4.19Å; H31-C34 WeakPolarHBondContact O-CB 3.49Å; H31-C34 PolarHBondContact O-N 3.45Å; G32-C34 PolarHBondContact O-N 3.27Å
35V94.9Very high95.1Very high29 Ų2965.8 Ų65.818%0.17637%0.367CS..Hα-helixtrans-129.64.3-176.7-63.30000114.1F30 H31 G32 V37 Y48F30-V35 HydrophobicContact CB-CG1 3.81Å; F30-V35 HydrophobicContact CB-CG2 4.26Å; F30-V35 HydrophobicContact CD1-CG1 3.89Å; F30-V35 HydrophobicContact CG-CG1 4.12Å; H31-V35 PolarHBondContact O-N 3.03Å; G32-V35 CarbonylContact O-C 3.6Å; G32-V35 WeakPolarHBondContact O-CG2 3.42Å; G32-V35 PolarHBondContact O-N 2.83Å; V35-V37 HydrophobicContact CG2-CB 4.16Å; V35-V37 HydrophobicContact CG2-CG2 3.94Å; V35-Y48 VanDerWaalsContact CB-OH 3.26Å; V35-Y48 WeakPolarHBondContact CB-OH 3.43Å; V35-Y48 WeakPolarHBondContact CG1-OH 3.27Å; V35-Y48 WeakPolarHBondContact CG2-OH 3.48Å
36G94.6Very high95.1Very high72 Ų7269 Ų6974%0.74238%0.379SS*.THydrogen-bonded Turntrans73.224.1-179.800000114.5G32G32-G36 PolarHBondContact O-N 3.08Å
37V95.3Very high95Very high18 Ų1869.1 Ų69.111%0.10938%0.375CS..  trans-105.9117.7175.5178.80000108.9F19 I21 G32 V35 I45 Y48F19-V37 HydrophobicContact CE1-CG1 4.09Å; I21-V37 HydrophobicContact CD1-CG1 4.34Å; G32-V37 CarbonylContact C-O 3.17Å; G32-V37 WeakPolarHBondContact CA-O 3.32Å; G32-V37 PolarHBondContact O-N 3.15Å; V35-V37 HydrophobicContact CG2-CB 4.16Å; V35-V37 HydrophobicContact CG2-CG2 3.94Å; V37-I45 HydrophobicContact CG1-CD1 3.72Å; V37-I45 HydrophobicContact CG2-CD1 4.39Å; V37-Y48 HydrophobicContact CG2-CD2 4.42Å; V37-Y48 HydrophobicContact CG2-CE2 3.81Å
38E94.9Very high95.1Very high148 Ų14864.5 Ų64.569%0.69236%0.355SS*.  trans-84.2155.4176.8-62.3-176.416800111.2E40 E41 A42E38-E40 PolarHBondContact O-N 2.86Å; E38-E41 PolarHBondContact O-N 2.88Å; E38-A42 PolarHBondContact O-N 3.26Å
39E93.9Very high95.1Very high145 Ų14564.1 Ų64.168%0.67835%0.352SS*.THydrogen-bonded Turntrans-64-25.9-177.5-170.4173.316100112.4F19 P43F19-E39 HydrophobicContact CB-CB 4.25Å; F19-E39 HydrophobicContact CB-CG 4.26Å; F19-E39 HydrophobicContact CD1-CB 4.37Å; F19-E39 HydrophobicContact CD2-CG 4.12Å; F19-E39 HydrophobicContact CG-CB 4.09Å; F19-E39 HydrophobicContact CG-CG 4.11Å; E39-P43 VanDerWaalsContact O-CD 3.3Å; E39-P43 WeakPolarHBondContact O-CD 3.26Å
40E93.2Very high95.1Very high176 Ų17659.5 Ų59.582%0.82234%0.335SS*.THydrogen-bonded Turntrans-76.7-31.3177.9-58.8-167.6-177.500113.5E38 P43E38-E40 PolarHBondContact O-N 2.86Å; E40-P43 WeakPolarHBondContact O-CD 3.34Å; E40-P43 WeakPolarHBondContact O-CG 3.49Å
41E91.3Very high95Very high92 Ų9261.9 Ų61.943%0.4335%0.351SS..THydrogen-bonded Turntrans-81.6-33.2177.9-176.967.9-17100111.6E38 P43 D44 I45 L62E38-E41 PolarHBondContact O-N 2.88Å; E41-P43 VanDerWaalsContact C-CD 3.45Å; E41-D44 PolarHBondContact O-N 2.93Å; E41-I45 HydrophobicContact CG-CD1 4.41Å; E41-I45 HydrophobicContact CG-CG1 4.44Å; E41-I45 PolarHBondContact O-N 2.95Å; E41-L62 VanDerWaalsContact OE1-CD2 3.27Å; E41-L62 WeakPolarHBondContact OE1-CD2 3.35Å
42A92.8Very high94.9Very high16 Ų1667 Ų6713%0.13238%0.379CS..G310 helixtrans-44.1-45.8179.300000116.6F19 E38 D44 I45F19-A42 HydrophobicContact CE1-CB 3.87Å; F19-A42 HydrophobicContact CE2-CB 3.76Å; F19-A42 HydrophobicContact CZ-CB 3.23Å; E38-A42 PolarHBondContact O-N 3.26Å; A42-D44 VanDerWaalsContact C-N 3.27Å; A42-D44 PolarHBondContact O-N 2.77Å; A42-I45 PolarHBondContact O-N 2.92Å
43P93.6Very high95Very high79 Ų7967.7 Ų67.751%0.51338%0.383SS..G310 helixtrans-68.5-19.2179.526.6-37.1000115.4E39 E40 E41 K63E39-P43 VanDerWaalsContact O-CD 3.3Å; E39-P43 WeakPolarHBondContact O-CD 3.26Å; E40-P43 WeakPolarHBondContact O-CD 3.34Å; E40-P43 WeakPolarHBondContact O-CG 3.49Å; E41-P43 VanDerWaalsContact C-CD 3.45Å; P43-K63 PolarHBondContact O-NZ 2.88Å; P43-K63 VanDerWaalsContact O-NZ 3.08Å
44D93.9Very high94.9Very high65 Ų6567 Ų6735%0.34837%0.368SS..G310 helixtrans-95.7-0175.6-88.4-14.1000112.4E41 A42 L62 K63E41-D44 PolarHBondContact O-N 2.93Å; A42-D44 VanDerWaalsContact C-N 3.27Å; A42-D44 PolarHBondContact O-N 2.77Å; D44-L62 CarbonylContact O-C 3.53Å; D44-L62 WeakPolarHBondContact O-CA 3.28Å; D44-L62 WeakPolarHBondContact O-CD2 3.41Å; D44-K63 WeakPolarHBondContact O-CB 3.33Å; D44-K63 PolarHBondContact O-N 2.62Å
45I95Very high94.9Very high22 Ų2272 Ų7211%0.11338%0.383CS..EExtended strand (participates in β ladder)trans-83.6130.8164.4-57.8172000109.7I21 V37 E41 A42 L62I21-I45 HydrophobicContact CD1-CD1 3.99Å; V37-I45 HydrophobicContact CG1-CD1 3.72Å; V37-I45 HydrophobicContact CG2-CD1 4.39Å; E41-I45 HydrophobicContact CG-CD1 4.41Å; E41-I45 HydrophobicContact CG-CG1 4.44Å; E41-I45 PolarHBondContact O-N 2.95Å; A42-I45 PolarHBondContact O-N 2.92Å; I45-L62 HydrophobicContact CG1-CD2 3.89Å
46D95.1Very high95Very high105 Ų10575.4 Ų75.456%0.56140%0.404SS*.EExtended strand (participates in β ladder)trans-99.1-39.7179.2-146.641.6000111.7T61 K63D46-T61 WeakPolarHBondContact CB-O 3.35Å; D46-T61 PolarHBondContact N-O 2.83Å; D46-K63 HydrophobicContact CB-CB 3.93Å; D46-K63 HydrophobicContact CB-CG 4.47Å
47I95.9Very high94.9Very high64 Ų6477.4 Ų77.433%0.32839%0.394SS..EExtended strand (participates in β ladder)trans-137117.1174.6-50.4178000108D24 S60 T61D24-I47 HydrophobicContact CB-CG2 3.54Å; I47-S60 CarbonylContact O-C 3.59Å; I47-S60 VanDerWaalsContact O-CA 3.27Å; I47-S60 WeakPolarHBondContact O-CA 3.44Å; I47-S60 VanDerWaalsContact O-CB 3.26Å; I47-S60 WeakPolarHBondContact O-CB 3.43Å; I47-T61 VanDerWaalsContact CB-OG1 3.31Å; I47-T61 WeakPolarHBondContact CB-OG1 3.18Å; I47-T61 WeakPolarHBondContact CG1-OG1 3.45Å; I47-T61 PolarHBondContact N-O 3.03Å; I47-T61 PolarHBondContact O-N 3.09Å
48Y97.6Very high94.9Very high16 Ų1678.3 Ų78.36%0.06341%0.407CS..  trans-94133.9176.8179.2-109.7000111.7I21 C23 D24 F30 V35 V37 C50I21-Y48 HydrophobicContact CB-CD1 4.42Å; I21-Y48 HydrophobicContact CD1-CD1 4.28Å; I21-Y48 HydrophobicContact CD1-CD2 3.98Å; I21-Y48 HydrophobicContact CD1-CG 3.7Å; I21-Y48 HydrophobicContact CG1-CD1 3.98Å; I21-Y48 HydrophobicContact CG1-CG 3.88Å; I21-Y48 HydrophobicContact CG2-CD1 3.73Å; I21-Y48 HydrophobicContact CG2-CD2 4.5Å; I21-Y48 HydrophobicContact CG2-CE1 3.71Å; I21-Y48 HydrophobicContact CG2-CE2 4.48Å; I21-Y48 HydrophobicContact CG2-CG 4.16Å; C23-Y48 CarbonylContact C-O 3.51Å; C23-Y48 WeakPolarHBondContact CA-O 3.45Å; C23-Y48 HydrophobicContact CB-CD1 4.06Å; C23-Y48 HydrophobicContact CB-CE1 4.27Å; D24-Y48 PolarHBondContact N-O 2.97Å; F30-Y48 HydrophobicContact CD2-CE1 4.17Å; V35-Y48 VanDerWaalsContact CB-OH 3.26Å; V35-Y48 WeakPolarHBondContact CB-OH 3.43Å; V35-Y48 WeakPolarHBondContact CG1-OH 3.27Å; V35-Y48 WeakPolarHBondContact CG2-OH 3.48Å; V37-Y48 HydrophobicContact CG2-CD2 4.42Å; V37-Y48 HydrophobicContact CG2-CE2 3.81Å; Y48-C50 HydrophobicContact CE1-CB 4.04Å; Y48-C50 WeakPolarHBondContact OH-CA 3.31Å
49H97.8Very high94.8Very high24 Ų2478.7 Ų78.711%0.11141%0.406CS..  trans-121.8128.5170.2-65.4152.8000109.2C53 G58H49-C53 HydrophobicContact CB-CB 4.41Å; H49-G58 PolarHBondContact ND1-O 3.12Å
50C96.3Very high94.9Very high3 Ų373.9 Ų73.92%0.0239%0.389CS..  trans-75163.4178.5740000111.9C23 F30 Y48 N52 C53 E54C23-C50 HydrophobicContact CB-CB 4.17Å; C23-C50 PolarHBondContact SG-N 3.42Å; F30-C50 HydrophobicContact CD1-CB 4.29Å; F30-C50 HydrophobicContact CD2-CB 4.03Å; F30-C50 HydrophobicContact CE1-CB 3.92Å; F30-C50 HydrophobicContact CE2-CB 3.65Å; F30-C50 HydrophobicContact CG-CB 4.36Å; F30-C50 HydrophobicContact CZ-CB 3.6Å; Y48-C50 HydrophobicContact CE1-CB 4.04Å; Y48-C50 WeakPolarHBondContact OH-CA 3.31Å; C50-N52 CarbonylContact O-C 3.6Å; C50-N52 PolarHBondContact O-N 3.33Å; C50-C53 PolarHBondContact O-N 2.97Å; C50-C53 VanDerWaalsContact SG-SG 3.64Å; C50-E54 PolarHBondContact O-N 3.34Å
51P94.7Very high94.9Very high58 Ų5868.6 Ų68.638%0.37737%0.368SS..THydrogen-bonded Turntrans-60.1-6-175.7-26.836.1000116.6K55P51-K55 WeakPolarHBondContact O-CE 3.34Å; P51-K55 PolarHBondContact O-NZ 3.15Å
52N95.4Very high95Very high111 Ų11169 Ų6959%0.59437%0.373SS*.THydrogen-bonded Turntrans-95.2-41.2169.2-69.3-25.8000112.2C50C50-N52 CarbonylContact O-C 3.6Å; C50-N52 PolarHBondContact O-N 3.33Å
53C96.9Very high94.9Very high15 Ų1573.1 Ų73.110%0.10139%0.388CS..THydrogen-bonded Turntrans-78.3-25.2179.6-64.80000113A25 H49 C50 K55 T56 H57A25-C53 HydrophobicContact CB-CB 3.73Å; H49-C53 HydrophobicContact CB-CB 4.41Å; C50-C53 PolarHBondContact O-N 2.97Å; C50-C53 VanDerWaalsContact SG-SG 3.64Å; C53-K55 PolarHBondContact O-N 3.34Å; C53-K55 VanDerWaalsContact O-N 3.17Å; C53-T56 PolarHBondContact O-N 2.96Å; C53-T56 PolarHBondContact O-OG1 2.8Å; C53-H57 PolarHBondContact O-CD2 3.06Å; C53-H57 PolarHBondContact O-N 3.33Å
54E95.1Very high94.5Very high94 Ų9478.5 Ų78.544%0.43940%0.403SS..Hα-helixtrans-53.8-34.8173.7172.5167.9-141.700112.4C50 T56 G58 K59C50-E54 PolarHBondContact O-N 3.34Å; E54-T56 VanDerWaalsContact C-N 3.26Å; E54-T56 PolarHBondContact O-N 3.48Å; E54-G58 WeakPolarHBondContact CA-O 3.35Å; E54-G58 CarbonylContact O-C 3.55Å; E54-G58 WeakPolarHBondContact O-CA 3.5Å; E54-G58 PolarHBondContact O-N 3.03Å; E54-K59 HydrophobicContact CG-CB 4.44Å; E54-K59 WeakPolarHBondContact OE1-CB 3.33Å
55K94.6Very high93.8Very high159 Ų15983.1 Ų83.169%0.69142%0.42SS*.Hα-helixtrans-71.1-16.5179.8-64.1157-178.1148.40113.7P51 C53P51-K55 WeakPolarHBondContact O-CE 3.34Å; P51-K55 PolarHBondContact O-NZ 3.15Å; C53-K55 PolarHBondContact O-N 3.34Å; C53-K55 VanDerWaalsContact O-N 3.17Å
56T96.7Very high92.5Very high102 Ų10292 Ų9263%0.62645%0.452SS*.Hα-helixtrans-121.2-25.3-176560000113.9C53 E54C53-T56 PolarHBondContact O-N 2.96Å; C53-T56 PolarHBondContact O-OG1 2.8Å; E54-T56 VanDerWaalsContact C-N 3.26Å; E54-T56 PolarHBondContact O-N 3.48Å
57H93.3Very high90.9Very high114 Ų11492.4 Ų92.453%0.52846%0.459SS..Hα-helixtrans-116.1-1.9180-56-82.5000113.2A25 C53A25-H57 WeakPolarHBondContact CB-CD2 3.38Å; C53-H57 PolarHBondContact O-CD2 3.06Å; C53-H57 PolarHBondContact O-N 3.33Å
58G94.4Very high89Confident36 Ų36100.3 Ų100.337%0.37148%0.484SS..  trans81.2170.9-173.100000112.9H49 E54H49-G58 PolarHBondContact ND1-O 3.12Å; E54-G58 WeakPolarHBondContact CA-O 3.35Å; E54-G58 CarbonylContact O-C 3.55Å; E54-G58 WeakPolarHBondContact O-CA 3.5Å; E54-G58 PolarHBondContact O-N 3.03Å
59K93.8Very high86.9Confident156 Ų156106.4 Ų106.468%0.67851%0.513SS*.SBendtrans-58.1158.9177.562.6-178176.91800113.1E54E54-K59 HydrophobicContact CG-CB 4.44Å; E54-K59 WeakPolarHBondContact OE1-CB 3.33Å
60S94.8Very high84.6Confident45 Ų45115.2 Ų115.232%0.31555%0.551SS.*PPolyproline II helixtrans-56147.1173.446.90000112I47I47-S60 CarbonylContact O-C 3.59Å; I47-S60 VanDerWaalsContact O-CA 3.27Å; I47-S60 WeakPolarHBondContact O-CA 3.44Å; I47-S60 VanDerWaalsContact O-CB 3.26Å; I47-S60 WeakPolarHBondContact O-CB 3.43Å
61T94.3Very high82.3Confident64 Ų64122.7 Ų122.739%0.39359%0.585SS.*EExtended strand (participates in β ladder)trans-102.7120.4177.763.80000110.6D46 I47D46-T61 WeakPolarHBondContact CB-O 3.35Å; D46-T61 PolarHBondContact N-O 2.83Å; I47-T61 VanDerWaalsContact CB-OG1 3.31Å; I47-T61 WeakPolarHBondContact CB-OG1 3.18Å; I47-T61 WeakPolarHBondContact CG1-OG1 3.45Å; I47-T61 PolarHBondContact N-O 3.03Å; I47-T61 PolarHBondContact O-N 3.09Å
62L92.6Very high79.6Confident102 Ų102122.7 Ų122.753%0.53460%0.596SS.*EExtended strand (participates in β ladder)trans-72.6142.3171.6-66.9170.5000111.2E41 D44 I45 K64E41-L62 VanDerWaalsContact OE1-CD2 3.27Å; E41-L62 WeakPolarHBondContact OE1-CD2 3.35Å; D44-L62 CarbonylContact O-C 3.53Å; D44-L62 WeakPolarHBondContact O-CA 3.28Å; D44-L62 WeakPolarHBondContact O-CD2 3.41Å; I45-L62 HydrophobicContact CG1-CD2 3.89Å; L62-K64 PolarHBondContact O-N 2.9Å; L62-K64 VanDerWaalsContact O-N 3.14Å
63K91.8Very high77.4Confident102 Ų102123.7 Ų123.744%0.44361%0.609SS.*  trans-66.7106.3179.7-170.8-177.7-148.61500109P43 D44 D46 K65P43-K63 PolarHBondContact O-NZ 2.88Å; P43-K63 VanDerWaalsContact O-NZ 3.08Å; D44-K63 WeakPolarHBondContact O-CB 3.33Å; D44-K63 PolarHBondContact O-N 2.62Å; D46-K63 HydrophobicContact CB-CB 3.93Å; D46-K63 HydrophobicContact CB-CG 4.47Å; K63-K65 PolarHBondContact O-N 3.19Å
64K84.4Confident75.2Confident192 Ų192125.9 Ų125.984%0.83563%0.634SS**  trans-59.898.6-176.3-169.6168.6-171.6169.70110.1L62 R66L62-K64 PolarHBondContact O-N 2.9Å; L62-K64 VanDerWaalsContact O-N 3.14Å; K64-R66 WeakPolarHBondContact O-CG 3.18Å; K64-R66 PolarHBondContact O-N 2.77Å
65K78.6Confident72.6Confident161 Ų161130.8 Ų130.870%0.766%0.657SS**  trans-52.5104.4-174.5-168166.4-163.8145.90109.1K63 T67K63-K65 PolarHBondContact O-N 3.19Å; K65-T67 PolarHBondContact O-N 3.14Å
66R69.3Low70.1Confident209 Ų209127.7 Ų127.779%0.78966%0.661SS**  trans-68.5101.6-173.6-52.2-173.183.6172.87.1106.9K64 W68K64-R66 WeakPolarHBondContact O-CG 3.18Å; K64-R66 PolarHBondContact O-N 2.77Å; R66-W68 VanDerWaalsContact O-CD1 3.29Å; R66-W68 PolarHBondContact O-N 2.88Å
67T61Low67.4Low113 Ų113128.3 Ų128.369%0.69367%0.667SS**  trans-65.787172.539.80000107.7K65 H69K65-T67 PolarHBondContact O-N 3.14Å; T67-H69 VanDerWaalsContact O-CA 3.31Å; T67-H69 WeakPolarHBondContact O-CA 3.2Å; T67-H69 PolarHBondContact O-CD2 3.25Å; T67-H69 VanDerWaalsContact O-CD2 3.25Å; T67-H69 PolarHBondContact O-N 2.9Å
68W55.3Low64.9Low230 Ų230129.7 Ų129.787%0.87168%0.678SS**  trans-51.2110.2174.2-75.493.1000107.8R66 K70R66-W68 VanDerWaalsContact O-CD1 3.29Å; R66-W68 PolarHBondContact O-N 2.88Å; W68-K70 PolarHBondContact O-N 2.75Å
69H54.3Low62.9Low145 Ų145133.8 Ų133.867%0.67170%0.695SS**  trans-63.8114-148.3-74-123.1000111.4T67 H71T67-H69 VanDerWaalsContact O-CA 3.31Å; T67-H69 WeakPolarHBondContact O-CA 3.2Å; T67-H69 PolarHBondContact O-CD2 3.25Å; T67-H69 VanDerWaalsContact O-CD2 3.25Å; T67-H69 PolarHBondContact O-N 2.9Å; H69-H71 VanDerWaalsContact CB-CD2 3.48Å; H69-H71 WeakPolarHBondContact CB-CD2 3.43Å; H69-H71 AromaticContact CE1-NE2 3.92Å; H69-H71 AromaticContact CG-CD2 3.81Å; H69-H71 AromaticContact CG-NE2 3.8Å; H69-H71 AromaticContact ND1-CD2 3.44Å; H69-H71 PolarHBondContact ND1-CD2 2.91Å; H69-H71 AromaticContact ND1-CE1 3.95Å; H69-H71 AromaticContact ND1-NE2 2.95Å; H69-H71 PolarHBondContact ND1-NE2 3Å; H69-H71 PolarHBondContact O-N 3.44Å
70K49.8Very low60.4Low208 Ų208135 Ų13590%0.90470%0.701SS**  trans-70.264.5158-83.3-166.3173.6-174.40109.7W68 G72W68-K70 PolarHBondContact O-N 2.75Å; K70-G72 PolarHBondContact O-N 3.43Å
71H48.2Very low57.6Low160 Ų160137.6 Ų137.674%0.74173%0.725SS**  trans-78.758.6157.9-72.3-51.9000109.4H69H69-H71 VanDerWaalsContact CB-CD2 3.48Å; H69-H71 WeakPolarHBondContact CB-CD2 3.43Å; H69-H71 AromaticContact CE1-NE2 3.92Å; H69-H71 AromaticContact CG-CD2 3.81Å; H69-H71 AromaticContact CG-NE2 3.8Å; H69-H71 AromaticContact ND1-CD2 3.44Å; H69-H71 PolarHBondContact ND1-CD2 2.91Å; H69-H71 AromaticContact ND1-CE1 3.95Å; H69-H71 AromaticContact ND1-NE2 2.95Å; H69-H71 PolarHBondContact ND1-NE2 3Å; H69-H71 PolarHBondContact O-N 3.44Å
72G37.5Very low55Low59 Ų59138.5 Ų138.561%0.60874%0.739SS**  trans-93.8119.3158.500000107.2K70K70-G72 PolarHBondContact O-N 3.43Å
73P48.9Very low52.7Low131 Ų131142.6 Ų142.685%0.85175%0.752SS**  trans-72.4141-178.329.5-34.3000111.2
74G50.3Low50.1Low61 Ų61145.5 Ų145.563%0.62977%0.773SS**  trans82.391.7164.600000116.3
75Q40.5Very low48.2Very low197 Ų197141.5 Ų141.592%0.92177%0.769SS**  trans-167.5103132.2-105145.2106.700109.1
76A41.7Very low46.8Very low94 Ų94140 Ų14078%0.77777%0.774SS**PPolyproline II helixtrans-79.6141.1158.300000108.1D78A76-D78 PolarHBondContact O-N 2.6Å
77P41.2Very low45.5Very low116 Ų116137.3 Ų137.375%0.75377%0.774SS**PPolyproline II helixtrans-72121.4169.729.4-31.5000109.6
78D40.4Very low45Very low142 Ų142139.7 Ų139.776%0.75978%0.782SS**PPolyproline II helixtrans-69.8137.5167-169-83.5000109.2A76A76-D78 PolarHBondContact O-N 2.6Å
79V53.2Low44.5Very low122 Ų122136.5 Ų136.574%0.73978%0.782SS**  trans-127.8123.1179.6-169.80000109.5
80K40.9Very low43.8Very low182 Ų182136.7 Ų136.779%0.79179%0.788SS**  trans-136.1133162.7-97.4177-175.860.60111.8
81A36.6Very low43.5Very low99 Ų99136.1 Ų136.182%0.81878%0.782SS**  trans-75176.1176.800000111.3
82A37.8Very low43.7Very low84 Ų84137.2 Ų137.269%0.69479%0.787SS**  cis-148.8177.89.700000109.4
83K44.6Very low44.3Very low187 Ų187143.2 Ų143.281%0.81380%0.799SS**  -166.416161.1-74.3174.6-179.5175.50112.3
84N38Very low44.3Very low164 Ų164143.5 Ų143.588%0.87779%0.789SS**  trans83.7137.8169.6-60.1-27.4000118.3
85S45.2Very low44.1Very low108 Ų108147 Ų14776%0.75579%0.789SS**  trans91.470.6161.9-157.70000120.8
86V48.4Very low44.5Very low130 Ų130143.8 Ų143.879%0.78878%0.779SS**  trans70159144.4-530000122.1
87D42.1Very low45.4Very low151 Ų151145.7 Ų145.781%0.80777%0.771SS**  trans62126.6-179.1-72.4-132.8000118.6
88L49.3Very low45.8Very low164 Ų164145.1 Ų145.186%0.85976%0.761SS**  trans-16143.5-166.4-164.3105.1000115
89D45.6Very low46.3Very low163 Ų163142.8 Ų142.887%0.87275%0.749SS**SBendtrans-128.8-0-171.5-56-93.1000115.7
90D40.6Very low46.3Very low149 Ų149139.9 Ų139.980%0.79774%0.738SS**SBendtrans-116.32.8-166-162.253.1000115
91Y43.5Very low46.7Very low195 Ų195135.5 Ų135.577%0.76573%0.729SS**  trans-116.35.2-161.5-90.7-84.3000117.5
92E51.5Low47.2Very low183 Ų183139.8 Ų139.886%0.85573%0.729SS**SBendtrans-86.7-27.5-178.3-75-168134.900114.9E94 Q95E92-E94 PolarHBondContact O-N 3.07Å; E92-Q95 PolarHBondContact O-N 3.43Å
93E49.7Very low47.9Very low186 Ų186141.4 Ų141.487%0.86972%0.721SS**Hα-helixtrans-74.9-27.1-171.2-167169.3-131.100114.5Q95E93-Q95 VanDerWaalsContact C-N 3.26Å; E93-Q95 PolarHBondContact O-N 3.01Å
94E49.6Very low47.7Very low137 Ų137139.4 Ų139.464%0.6472%0.719SS**Hα-helixtrans-70.9-21.7178.6-167.2176-167.400112.7E92E92-E94 PolarHBondContact O-N 3.07Å
95Q45.8Very low48.3Very low133 Ų133136.8 Ų136.862%0.62171%0.713SS**Hα-helixtrans-73.3-36.7-168.7-171.458.198.200113.4E92 E93 L98E92-Q95 PolarHBondContact O-N 3.43Å; E93-Q95 VanDerWaalsContact C-N 3.26Å; E93-Q95 PolarHBondContact O-N 3.01Å; Q95-L98 PolarHBondContact O-N 3.46Å
96D50Low48.9Very low131 Ų131138.2 Ų138.270%0.70171%0.712SS**Hα-helixtrans-71-33.7178.1-83.6-31.5000112.5L98 D99 A100D96-L98 PolarHBondContact O-N 3.05Å; D96-D99 PolarHBondContact O-N 3.32Å; D96-A100 PolarHBondContact O-N 3.1Å
97H59.8Low49.1Very low134 Ų134141.7 Ų141.762%0.6271%0.713SS**Hα-helixtrans-59.9-30.3177.4177-110.3000112.3C101H97-C101 PolarHBondContact O-SG 3.12Å; H97-C101 VanDerWaalsContact O-SG 3.41Å
98L48.6Very low50.1Low103 Ų103140.3 Ų140.354%0.53971%0.709SS.*Hα-helixtrans-82.3-28.7179.8-80.2160.8000114.4Q95 D96Q95-L98 PolarHBondContact O-N 3.46Å; D96-L98 PolarHBondContact O-N 3.05Å
99D51.8Low50.2Low94 Ų94140.5 Ų140.550%0.50370%0.7SS.*Hα-helixtrans-82.1-24175.9-173.757.1000112.6D96 C101 F102 K103D96-D99 PolarHBondContact O-N 3.32Å; D99-C101 VanDerWaalsContact C-N 3.33Å; D99-C101 PolarHBondContact O-N 3.37Å; D99-F102 PolarHBondContact O-N 2.85Å; D99-K103 PolarHBondContact O-NZ 3.35Å; D99-K103 IonicContact OD1-NZ 2.6Å; D99-K103 PolarHBondContact OD1-NZ 3.41Å; D99-K103 IonicContact OD2-NZ 2.6Å; D99-K103 PolarHBondContact OD2-NZ 3.13Å
100A53.3Low50.4Low61 Ų61137.5 Ų137.550%0.50469%0.689SS.*Hα-helixtrans-60.3-40.1170.900000112.4D96 F102 K103D96-A100 PolarHBondContact O-N 3.1Å; A100-F102 PolarHBondContact O-N 3.03Å; A100-K103 PolarHBondContact O-N 3.34Å
101C49.2Very low50.9Low89 Ų89135.4 Ų135.460%0.60169%0.686SS**THydrogen-bonded Turntrans-63.8-3.7-178.1-66.30000115.6H97 D99H97-C101 PolarHBondContact O-SG 3.12Å; H97-C101 VanDerWaalsContact O-SG 3.41Å; D99-C101 VanDerWaalsContact C-N 3.33Å; D99-C101 PolarHBondContact O-N 3.37Å
102F47.5Very low51.3Low189 Ų189133.5 Ų133.583%0.82969%0.688SS**THydrogen-bonded Turntrans-111.59.9-178.4-126.4-84.6000114.7D99 A100D99-F102 PolarHBondContact O-N 2.85Å; A100-F102 PolarHBondContact O-N 3.03Å
103K51.7Low51.2Low119 Ų119133.4 Ų133.452%0.51769%0.688SS.*  trans-100-18.8179.3-86.859.6165.5-172.10114.9D99 A100 S105D99-K103 PolarHBondContact O-NZ 3.35Å; D99-K103 IonicContact OD1-NZ 2.6Å; D99-K103 PolarHBondContact OD1-NZ 3.41Å; D99-K103 IonicContact OD2-NZ 2.6Å; D99-K103 PolarHBondContact OD2-NZ 3.13Å; A100-K103 PolarHBondContact O-N 3.34Å; K103-S105 VanDerWaalsContact C-N 3.34Å; K103-S105 PolarHBondContact O-N 3.17Å
104D41.6Very low50.9Low144 Ų144130 Ų13077%0.7768%0.684SS**  trans-77.279.4-178.2-71.7-22.5000112.2D106D104-D106 PolarHBondContact O-N 2.87Å; D104-D106 VanDerWaalsContact O-N 3.15Å
105S50.2Low50.5Low109 Ų109131.2 Ų131.276%0.76270%0.696SS**THydrogen-bonded Turntrans-67.5-6.5179.650.50000115.3K103K103-S105 VanDerWaalsContact C-N 3.34Å; K103-S105 PolarHBondContact O-N 3.17Å
106D58Low50.6Low138 Ų138134.1 Ų134.174%0.73871%0.709SS**THydrogen-bonded Turntrans-10515.8-168.1-72.1-54.9000115.1D104 V108D104-D106 PolarHBondContact O-N 2.87Å; D104-D106 VanDerWaalsContact O-N 3.15Å; D106-V108 PolarHBondContact O-N 3.47Å
107Y52.8Low50.4Low203 Ų203134.7 Ų134.780%0.79671%0.712SS**  trans-74.276.9169.6-161.7-92.6000111.7Y109Y107-Y109 PolarHBondContact O-N 3.27Å; Y107-Y109 VanDerWaalsContact O-N 3.13Å
108V63.1Low49.8Very low122 Ų122134.9 Ų134.974%0.73972%0.718SS**  trans-60.8112.5178.4178.40000110.4D106 P110D106-V108 PolarHBondContact O-N 3.47Å; V108-P110 WeakPolarHBondContact O-CD 3.49Å
109Y50.3Low49.9Very low169 Ų169134.7 Ų134.766%0.66372%0.723SS**  trans-68.5124.8176.9-157.2-86.7000110.3Y107 S111 L112Y107-Y109 PolarHBondContact O-N 3.27Å; Y107-Y109 VanDerWaalsContact O-N 3.13Å; Y109-S111 PolarHBondContact O-N 3.36Å; Y109-S111 VanDerWaalsContact O-N 3.12Å; Y109-L112 HydrophobicContact CE1-CD1 4.36Å
110P49.5Very low49.5Very low99 Ų99136.6 Ų136.664%0.64373%0.732SS**  trans-60.7115.9175.9-25.135.6000111.3V108 L112V108-P110 WeakPolarHBondContact O-CD 3.49Å; P110-L112 PolarHBondContact O-N 3.39Å
111S51.8Low49.1Very low105 Ų105141.9 Ų141.973%0.73474%0.743SS**  trans-61.6122.9-168.5-50.70000113.5Y109 E113Y109-S111 PolarHBondContact O-N 3.36Å; Y109-S111 VanDerWaalsContact O-N 3.12Å; S111-E113 PolarHBondContact O-N 3.32Å
112L51.5Low48.9Very low155 Ų155147.5 Ų147.581%0.81276%0.758SS**  trans-82.348.5175.4-72.8172.8000112.6Y109 P110Y109-L112 HydrophobicContact CE1-CD1 4.36Å; P110-L112 PolarHBondContact O-N 3.39Å
113E49.1Very low49.5Very low182 Ų182144.4 Ų144.485%0.8576%0.759SS**  trans-134.361.7-177.5-68.2-167.7122.500112.8S111S111-E113 PolarHBondContact O-N 3.32Å
114S43.1Very low49.3Very low113 Ų113150.3 Ų150.379%0.7978%0.778SS**  trans-168.6109147.6-168.40000112.1
115D41.2Very low49.8Very low164 Ų164149 Ų14988%0.87778%0.781SS**  trans-14041158.7-164.5-137.6000109.3
116E49Very low49.8Very low194 Ų194153.5 Ų153.591%0.90779%0.786SS**  trans-120.453.7-177.7-73.6-166.786.900112.9
117D45.5Very low49.4Very low142 Ų142156.3 Ų156.376%0.75979%0.792SS**  trans-153.9148.7133.7-170.4-126.4000112.3
118N46.9Very low49.6Very low139 Ų139158 Ų15874%0.74380%0.797SS**  trans-134.5107.1-178.1168.9104.7000111.4
119P51.1Low49Very low99 Ų99161.5 Ų161.564%0.64380%0.802SS**  trans-93.4115.816832.1-31000113.6
120I43.5Very low49Very low134 Ų134156.3 Ų156.369%0.68780%0.8SS**  trans74.8102.9144.2-81.460000119
121F45.3Very low48.8Very low171 Ų171156.5 Ų156.575%0.7580%0.804SS**  trans33.4117.8143.6-54.9-79.2000121.7
122K44.2Very low48.8Very low208 Ų208159.7 Ų159.790%0.90481%0.813SS**  -155.7112.9109.9-94.3128.2-162.4163.70112.5
123S61.2Low49.2Very low123 Ų123158.7 Ų158.786%0.8681%0.808SS**  trans-78.8120.4168.6450000110.8
124R47.5Very low50.1Low243 Ų243153.9 Ų153.992%0.91780%0.8SS**  trans-128.1131.4167.1-163.3171.3-175.1177.31.7111.3K126R124-K126 PolarHBondContact O-N 2.86Å
125S50.5Low51Low117 Ų117154.3 Ų154.382%0.81880%0.8SS**  trans-69.4128.6-162.4-51.60000114.6K127S125-K127 PolarHBondContact O-N 3.42Å
126K51.9Low52.2Low203 Ų203156 Ų15688%0.88380%0.795SS**  trans-26.791.2166.6-164.2-179.6-168.577.10114.9R124R124-K126 PolarHBondContact O-N 2.86Å
127K48.1Very low52.8Low197 Ų197149.5 Ų149.586%0.85777%0.772SS**  trans-72.6129.5162.2-171.3172.2-176.91790107.9S125 K129S125-K127 PolarHBondContact O-N 3.42Å; K127-K129 PolarHBondContact O-N 2.85Å
128R56.6Low53.6Low239 Ų239148 Ų14890%0.90277%0.77SS**  trans-68.4101.5172.6-72.5-173.3176.6-1451.9109.1
129K52.2Low54Low195 Ų195147.4 Ų147.485%0.84877%0.771SS**  trans-64.6133152-179.677.7176.2-173.10106.3K127 S131K127-K129 PolarHBondContact O-N 2.85Å; K129-S131 PolarHBondContact O-N 3.02Å
130G50.1Low54.6Low60 Ų60145.4 Ų145.462%0.61976%0.763SS**  trans-63.8124169.100000108.5D132G130-D132 VanDerWaalsContact C-N 3.3Å; G130-D132 PolarHBondContact O-N 3.22Å; G130-D132 VanDerWaalsContact O-N 3.1Å
131S45.7Very low55.5Low104 Ų104151 Ų15173%0.72778%0.775SS**  trans-79.187.5171.4-159.80000107K129 D133K129-S131 PolarHBondContact O-N 3.02Å; S131-D133 PolarHBondContact O-N 3.47Å
132D51.6Low56.3Low171 Ų171149 Ų14991%0.91478%0.777SS**  trans-78.454.9168.9-147.9-123.7000109.1G130G130-D132 VanDerWaalsContact C-N 3.3Å; G130-D132 PolarHBondContact O-N 3.22Å; G130-D132 VanDerWaalsContact O-N 3.1Å
133D58.5Low57.8Low135 Ų135141.4 Ų141.472%0.72276%0.758SS**  trans-127.758.1177.8-174.641.2000106.2S131S131-D133 PolarHBondContact O-N 3.47Å
134A69Low58.1Low81 Ų81141.4 Ų141.467%0.66976%0.755SS**  trans-80.5127168.700000107.1Y136A134-Y136 PolarHBondContact O-N 3Å; A134-Y136 VanDerWaalsContact O-N 3.12Å
135P62.3Low58.9Low122 Ų122135.3 Ų135.379%0.79275%0.75SS**  trans-58.2122.8-179.123.7-33.4000109.4S137P135-S137 PolarHBondContact O-N 2.9Å; P135-S137 VanDerWaalsContact O-N 3.08Å
136Y66.6Low60Low198 Ų198135.2 Ų135.278%0.77674%0.744SS**  trans-52.8115.2-170.3178.3-98.6000111.3A134 P138A134-Y136 PolarHBondContact O-N 3Å; A134-Y136 VanDerWaalsContact O-N 3.12Å; Y136-P138 HydrophobicContact CD1-CG 4.4Å; Y136-P138 HydrophobicContact CE1-CG 4.32Å; Y136-P138 WeakPolarHBondContact O-CD 3.01Å
137S60.5Low61.1Low59 Ų59130.9 Ų130.941%0.41374%0.736SS.*  trans-97.6111.1-179.3-178.50000109.7P135 T139 A140P135-S137 PolarHBondContact O-N 2.9Å; P135-S137 VanDerWaalsContact O-N 3.08Å; S137-T139 PolarHBondContact O-N 3.25Å; S137-T139 PolarHBondContact OG-OG1 2.9Å; S137-A140 WeakPolarHBondContact O-CB 3.43Å; S137-A140 PolarHBondContact O-N 3.23Å
138P62.2Low62Low111 Ų111133 Ų13372%0.72174%0.739SS**THydrogen-bonded Turntrans-64.2-12.4-176.4-23.235.1000114.6Y136Y136-P138 HydrophobicContact CD1-CG 4.4Å; Y136-P138 HydrophobicContact CE1-CG 4.32Å; Y136-P138 WeakPolarHBondContact O-CD 3.01Å
139T55.4Low62.8Low125 Ų125130.3 Ų130.377%0.76774%0.737SS**THydrogen-bonded Turntrans-96.9-2.7177.654.80000113.5S137 R141S137-T139 PolarHBondContact O-N 3.25Å; S137-T139 PolarHBondContact OG-OG1 2.9Å; T139-R141 PolarHBondContact O-N 3.38Å
140A64.3Low63.9Low58 Ų58128 Ų12848%0.47973%0.734SS.*SBendtrans-69.4113.6171.700000109.6S137 V142S137-A140 WeakPolarHBondContact O-CB 3.43Å; S137-A140 PolarHBondContact O-N 3.23Å; A140-V142 VanDerWaalsContact C-N 3.33Å; A140-V142 PolarHBondContact O-N 3.35Å
141R61.9Low65Low250 Ų250135.6 Ų135.694%0.94374%0.744SS**  trans-70.789.1173.1-69.8-176.1179178-1109.8T139 G143T139-R141 PolarHBondContact O-N 3.38Å; R141-G143 PolarHBondContact O-N 3.08Å
142V62.5Low66.4Low129 Ų129136.4 Ų136.478%0.78275%0.746SS**  trans-75.164.7173.3-166.80000109.9A140A140-V142 VanDerWaalsContact C-N 3.33Å; A140-V142 PolarHBondContact O-N 3.35Å
143G75.8Confident67.1Low49 Ų49133.9 Ų133.951%0.50574%0.737SS.*  trans-71.5155.9164.600000110.3R141 S145R141-G143 PolarHBondContact O-N 3.08Å; G143-S145 PolarHBondContact O-N 3Å
144P67.1Low67.6Low124 Ų124137.6 Ų137.681%0.80574%0.741SS**  trans-51.2132.1172.7-26.735.2000111.1V146P144-V146 VanDerWaalsContact C-N 3.28Å; P144-V146 PolarHBondContact O-N 3.18Å
145S64.9Low67.6Low115 Ų115141.7 Ų141.780%0.80475%0.746SS**  trans-7185.1178.7173.60000110.3G143G143-S145 PolarHBondContact O-N 3Å
146V72.3Confident67.8Low115 Ų115139.4 Ų139.470%0.69775%0.745SS**  trans-46.8129.4173.4-175.60000109.2P144 R148P144-V146 VanDerWaalsContact C-N 3.28Å; P144-V146 PolarHBondContact O-N 3.18Å; V146-R148 PolarHBondContact O-N 3.04Å; V146-R148 VanDerWaalsContact O-N 3.09Å
147P75.1Confident67.7Low111 Ų111135.1 Ų135.172%0.72174%0.74SS**  trans-50.8120.5176.5-29.136000110.7Q149P147-Q149 PolarHBondContact O-N 2.8Å
148R68.5Low67.9Low241 Ų241141.1 Ų141.191%0.90975%0.753SS**  trans-67.397.6178.4-72.8179.2173-89.5-2.1108.4V146 D150V146-R148 PolarHBondContact O-N 3.04Å; V146-R148 VanDerWaalsContact O-N 3.09Å; R148-D150 PolarHBondContact O-N 2.84Å
149Q72.4Confident68.5Low184 Ų184139.3 Ų139.386%0.8674%0.74SS**  trans-55.9131.2167.7-70.4-168.8-17.200108.7P147 R151P147-Q149 PolarHBondContact O-N 2.8Å; Q149-R151 PolarHBondContact O-N 3.08Å
150D74.9Confident69.4Low146 Ų146136.3 Ų136.378%0.78173%0.728SS**  trans-66132.5-178.9-152.5-34.8000109.3R148 P152R148-D150 PolarHBondContact O-N 2.84Å; D150-P152 WeakPolarHBondContact O-CD 3.39Å
151R74.4Confident70Confident220 Ų220137.5 Ų137.583%0.8373%0.733SS**  trans-86.3114.2-174.3-166.9177.4-163.9172.76.8106.8Q149 V153Q149-R151 PolarHBondContact O-N 3.08Å; R151-V153 PolarHBondContact O-N 3.38Å
152P74.4Confident70.9Confident120 Ų120130.4 Ų130.478%0.77971%0.712SS**  trans-51.6115.9-167.618-32000110.7D150 R154D150-P152 WeakPolarHBondContact O-CD 3.39Å; P152-R154 PolarHBondContact O-N 3.46Å; P152-R154 VanDerWaalsContact O-N 3.14Å
153V67Low71.9Confident119 Ų119128.8 Ų128.872%0.72170%0.696SS**  trans-61.5118.9-172.1174.30000108.5R151 E155R151-V153 PolarHBondContact O-N 3.38Å; V153-E155 VanDerWaalsContact C-N 3.33Å; V153-E155 PolarHBondContact O-N 3.08Å
154R68.8Low72.3Confident212 Ų212130.9 Ų130.980%0.870%0.699SS**  trans-71.793.5173-171.369-177.6-177.22.9108.5P152 G156 T157P152-R154 PolarHBondContact O-N 3.46Å; P152-R154 VanDerWaalsContact O-N 3.14Å; R154-G156 PolarHBondContact O-N 3.48Å; R154-T157 PolarHBondContact O-N 3.12Å
155E68.1Low73.5Confident167 Ų167126.9 Ų126.978%0.7868%0.681SS**THydrogen-bonded Turntrans-53.5123171.1-60.8-160.5125.300109V153V153-E155 VanDerWaalsContact C-N 3.33Å; V153-E155 PolarHBondContact O-N 3.08Å
156G66.5Low74.7Confident74 Ų74127.1 Ų127.176%0.76367%0.672SS**THydrogen-bonded Turntrans134-29.9-166.200000114R154 R158R154-G156 PolarHBondContact O-N 3.48Å; G156-R158 VanDerWaalsContact C-N 3.29Å; G156-R158 PolarHBondContact O-N 3.07Å
157T64.6Low75.3Confident109 Ų109124.6 Ų124.667%0.66966%0.663SS**  trans-9131.2177.3-360000113.8R154 V159R154-T157 PolarHBondContact O-N 3.12Å; T157-V159 HydrophobicContact CG2-CG2 4.5Å; T157-V159 PolarHBondContact O-N 3.04Å; T157-V159 VanDerWaalsContact O-N 3.12Å
158R65.6Low76Confident184 Ų184121.5 Ų121.569%0.69465%0.648SS**  trans-7893.4164.1-67.4-160-168.4179.86.8108.8G156 A160 E163G156-R158 VanDerWaalsContact C-N 3.29Å; G156-R158 PolarHBondContact O-N 3.07Å; R158-A160 PolarHBondContact O-N 3.23Å; R158-A160 VanDerWaalsContact O-N 3.13Å; R158-E163 VanDerWaalsContact CD-OE1 3.28Å; R158-E163 WeakPolarHBondContact CD-OE1 3.39Å; R158-E163 IonicContact NH1-OE1 3.96Å
159V73.4Confident76.8Confident74 Ų74112.8 Ų112.845%0.44863%0.627SS.*  trans-69.4110.1177.6-163.40000108.1T157 S161 I162T157-V159 HydrophobicContact CG2-CG2 4.5Å; T157-V159 PolarHBondContact O-N 3.04Å; T157-V159 VanDerWaalsContact O-N 3.12Å; V159-S161 WeakPolarHBondContact CG1-OG 3.38Å; V159-S161 PolarHBondContact O-N 3.1Å; V159-I162 HydrophobicContact CB-CD1 3.97Å; V159-I162 HydrophobicContact CB-CG1 4.2Å; V159-I162 HydrophobicContact CG2-CD1 4.22Å; V159-I162 WeakPolarHBondContact O-CB 3.44Å; V159-I162 PolarHBondContact O-N 2.93Å
160A75.9Confident77.5Confident62 Ų62107 Ų10751%0.51261%0.611SS.*Hα-helixtrans-56.1-22.8-172.400000114.4R158 I162 E163 T164R158-A160 PolarHBondContact O-N 3.23Å; R158-A160 VanDerWaalsContact O-N 3.13Å; A160-I162 VanDerWaalsContact C-N 3.27Å; A160-I162 PolarHBondContact O-N 3.38Å; A160-E163 PolarHBondContact O-N 2.97Å; A160-T164 VanDerWaalsContact O-CB 3.31Å; A160-T164 WeakPolarHBondContact O-CB 3.36Å; A160-T164 PolarHBondContact O-N 3.26Å; A160-T164 PolarHBondContact O-OG1 3.25Å
161S77.1Confident78Confident83 Ų83102.4 Ų102.458%0.5859%0.593SS**Hα-helixtrans-65.2-25.5172.257.70000113.9V159 G165V159-S161 WeakPolarHBondContact CG1-OG 3.38Å; V159-S161 PolarHBondContact O-N 3.1Å; S161-G165 PolarHBondContact O-N 2.98Å
162I80.8Confident78.4Confident101 Ų10199 Ų9952%0.51858%0.584SS.*Hα-helixtrans-73.3-47.9175.2-60.2172.3000109.9V159 A160 G165 L166V159-I162 HydrophobicContact CB-CD1 3.97Å; V159-I162 HydrophobicContact CB-CG1 4.2Å; V159-I162 HydrophobicContact CG2-CD1 4.22Å; V159-I162 WeakPolarHBondContact O-CB 3.44Å; V159-I162 PolarHBondContact O-N 2.93Å; A160-I162 VanDerWaalsContact C-N 3.27Å; A160-I162 PolarHBondContact O-N 3.38Å; I162-G165 PolarHBondContact O-N 3.33Å; I162-L166 HydrophobicContact CG2-CD1 4.22Å; I162-L166 WeakPolarHBondContact O-CG 3.3Å; I162-L166 PolarHBondContact O-N 2.94Å
163E82Confident78.8Confident94 Ų9498.8 Ų98.844%0.43958%0.576SS.*Hα-helixtrans-63.1-42.9176.1-64.3-179.1155.700110.7R158 A160 G165 L166 A167R158-E163 VanDerWaalsContact CD-OE1 3.28Å; R158-E163 WeakPolarHBondContact CD-OE1 3.39Å; R158-E163 IonicContact NH1-OE1 3.96Å; A160-E163 PolarHBondContact O-N 2.97Å; E163-G165 VanDerWaalsContact C-N 3.34Å; E163-G165 PolarHBondContact O-N 3.42Å; E163-L166 PolarHBondContact O-N 3.48Å; E163-A167 WeakPolarHBondContact O-CB 3.42Å; E163-A167 PolarHBondContact O-N 2.94Å
164T83.9Confident79.3Confident94 Ų9496.9 Ų96.958%0.57757%0.568SS**Hα-helixtrans-60.3-41.6172.3-55.90000111.9A160 A168A160-T164 VanDerWaalsContact O-CB 3.31Å; A160-T164 WeakPolarHBondContact O-CB 3.36Å; A160-T164 PolarHBondContact O-N 3.26Å; A160-T164 PolarHBondContact O-OG1 3.25Å; T164-A168 VanDerWaalsContact O-CB 3.26Å; T164-A168 WeakPolarHBondContact O-CB 3.5Å; T164-A168 PolarHBondContact O-N 2.65Å
165G92.6Very high79.7Confident40 Ų4092.7 Ų92.741%0.41256%0.557SS.*Hα-helixtrans-65.3-41.117700000113.1S161 I162 E163 A169S161-G165 PolarHBondContact O-N 2.98Å; I162-G165 PolarHBondContact O-N 3.33Å; E163-G165 VanDerWaalsContact C-N 3.34Å; E163-G165 PolarHBondContact O-N 3.42Å; G165-A169 WeakPolarHBondContact O-CB 3.32Å; G165-A169 PolarHBondContact O-N 2.68Å
166L91.5Very high80.1Confident119 Ų11989.9 Ų89.962%0.62354%0.544SS*.Hα-helixtrans-64.8-47.2174.8-77.9164.5000111.7I162 E163 A168 A169 A170I162-L166 HydrophobicContact CG2-CD1 4.22Å; I162-L166 WeakPolarHBondContact O-CG 3.3Å; I162-L166 PolarHBondContact O-N 2.94Å; E163-L166 PolarHBondContact O-N 3.48Å; L166-A168 PolarHBondContact O-N 2.94Å; L166-A169 PolarHBondContact O-N 3.21Å; L166-A170 PolarHBondContact O-N 3.27Å
167A84.9Confident80.3Confident62 Ų6293.1 Ų93.151%0.51254%0.539SS..Hα-helixtrans-60.6-45176.200000111.8E163 A169 A170 A171E163-A167 WeakPolarHBondContact O-CB 3.42Å; E163-A167 PolarHBondContact O-N 2.94Å; A167-A169 VanDerWaalsContact C-N 3.32Å; A167-A169 PolarHBondContact O-N 3.27Å; A167-A170 PolarHBondContact O-N 3.32Å; A167-A171 WeakPolarHBondContact O-CB 3.35Å; A167-A171 PolarHBondContact O-N 3.12Å
168A88.9Confident80.5Confident47 Ų4793 Ų9339%0.38853%0.531SS..Hα-helixtrans-66-30.9176.600000113.2T164 L166 K172T164-A168 VanDerWaalsContact O-CB 3.26Å; T164-A168 WeakPolarHBondContact O-CB 3.5Å; T164-A168 PolarHBondContact O-N 2.65Å; L166-A168 PolarHBondContact O-N 2.94Å; A168-K172 WeakPolarHBondContact O-CG 3.48Å; A168-K172 PolarHBondContact O-N 3.26Å
169A85.4Confident80.4Confident57 Ų5790.9 Ų90.947%0.47153%0.529SS..Hα-helixtrans-70.7-44.3173.400000111.8G165 L166 A167 K172 L173G165-A169 WeakPolarHBondContact O-CB 3.32Å; G165-A169 PolarHBondContact O-N 2.68Å; L166-A169 PolarHBondContact O-N 3.21Å; A167-A169 VanDerWaalsContact C-N 3.32Å; A167-A169 PolarHBondContact O-N 3.27Å; A169-K172 PolarHBondContact O-N 2.86Å; A169-L173 PolarHBondContact O-N 3.08Å
170A86.3Confident79.9Confident63 Ų6393.4 Ų93.452%0.52153%0.534SS..Hα-helixtrans-61.1-44.6176.200000112L166 A167 K172 L173 S174L166-A170 PolarHBondContact O-N 3.27Å; A167-A170 PolarHBondContact O-N 3.32Å; A170-K172 VanDerWaalsContact C-N 3.32Å; A170-K172 PolarHBondContact O-N 3.27Å; A170-L173 WeakPolarHBondContact O-CB 3.34Å; A170-L173 PolarHBondContact O-N 3.35Å; A170-L173 VanDerWaalsContact O-N 3.12Å; A170-S174 PolarHBondContact O-N 3.02Å; A170-S174 VanDerWaalsContact O-N 3.08Å
171A85.6Confident79.1Confident49 Ų4993.5 Ų93.541%0.40553%0.531SS..Hα-helixtrans-58.9-40.8175.600000112.6A167 S174 Q175A167-A171 WeakPolarHBondContact O-CB 3.35Å; A167-A171 PolarHBondContact O-N 3.12Å; A171-S174 PolarHBondContact O-N 2.85Å; A171-Q175 WeakPolarHBondContact O-CG 3.42Å; A171-Q175 PolarHBondContact O-N 2.95Å; A171-Q175 VanDerWaalsContact O-N 3.08Å
172K83.9Confident78.4Confident148 Ų14895.6 Ų95.664%0.64353%0.53SS*.Hα-helixtrans-68.1-32.2175.7-74.9174.1-179.1177.40113A168 A169 A170 Q176A168-K172 WeakPolarHBondContact O-CG 3.48Å; A168-K172 PolarHBondContact O-N 3.26Å; A169-K172 PolarHBondContact O-N 2.86Å; A170-K172 VanDerWaalsContact C-N 3.32Å; A170-K172 PolarHBondContact O-N 3.27Å; K172-Q176 PolarHBondContact O-N 3.17Å
173L82.4Confident77.3Confident116 Ų11699 Ų9961%0.60754%0.541SS*.Hα-helixtrans-66.1-46.7175.1-151.279.6000111A169 A170 Q175 Q176 E177A169-L173 PolarHBondContact O-N 3.08Å; A170-L173 WeakPolarHBondContact O-CB 3.34Å; A170-L173 PolarHBondContact O-N 3.35Å; A170-L173 VanDerWaalsContact O-N 3.12Å; L173-Q175 PolarHBondContact O-N 3.2Å; L173-Q176 WeakPolarHBondContact O-CB 3.41Å; L173-Q176 PolarHBondContact O-N 3.02Å; L173-Q176 VanDerWaalsContact O-N 3.13Å; L173-E177 PolarHBondContact O-N 3.46Å
174S76.4Confident76.1Confident80 Ų80102.8 Ų102.856%0.55956%0.556SS**Hα-helixtrans-57.8-47.3175173.20000112.2A170 A171 Q176 E177 E178A170-S174 PolarHBondContact O-N 3.02Å; A170-S174 VanDerWaalsContact O-N 3.08Å; A171-S174 PolarHBondContact O-N 2.85Å; S174-Q176 VanDerWaalsContact C-N 3.29Å; S174-Q176 PolarHBondContact O-N 3.31Å; S174-E177 PolarHBondContact O-N 2.81Å; S174-E177 VanDerWaalsContact O-N 3.1Å; S174-E178 PolarHBondContact O-N 3.49Å
175Q78.1Confident74.8Confident123 Ų123105.9 Ų105.958%0.57556%0.561SS**Hα-helixtrans-61.2-35.6175.5-70.2175.87.500112.8A171 L173 E177 Q179A171-Q175 WeakPolarHBondContact O-CG 3.42Å; A171-Q175 PolarHBondContact O-N 2.95Å; A171-Q175 VanDerWaalsContact O-N 3.08Å; L173-Q175 PolarHBondContact O-N 3.2Å; Q175-E177 VanDerWaalsContact C-N 3.35Å; Q175-Q179 WeakPolarHBondContact O-CG 3.28Å; Q175-Q179 PolarHBondContact O-N 3.46Å; Q175-Q179 VanDerWaalsContact O-N 3.12Å
176Q76.4Confident72.9Confident108 Ų108108.5 Ų108.551%0.50557%0.573SS.*Hα-helixtrans-68.1-34.1175.6-163.7-169.45500112.2K172 L173 S174 K180K172-Q176 PolarHBondContact O-N 3.17Å; L173-Q176 WeakPolarHBondContact O-CB 3.41Å; L173-Q176 PolarHBondContact O-N 3.02Å; L173-Q176 VanDerWaalsContact O-N 3.13Å; S174-Q176 VanDerWaalsContact C-N 3.29Å; S174-Q176 PolarHBondContact O-N 3.31Å; Q176-K180 WeakPolarHBondContact O-CG 3.49Å; Q176-K180 PolarHBondContact O-N 3.19Å
177E70Confident71.1Confident142 Ų142107 Ų10766%0.66458%0.578SS**Hα-helixtrans-71.4-44.2176.8-168.2168.2151.400111.8L173 S174 Q175 Q179 K180 S181L173-E177 PolarHBondContact O-N 3.46Å; S174-E177 PolarHBondContact O-N 2.81Å; S174-E177 VanDerWaalsContact O-N 3.1Å; Q175-E177 VanDerWaalsContact C-N 3.35Å; E177-Q179 VanDerWaalsContact C-N 3.35Å; E177-Q179 PolarHBondContact O-N 3.1Å; E177-K180 WeakPolarHBondContact O-CA 3.38Å; E177-K180 WeakPolarHBondContact O-CB 3.46Å; E177-K180 PolarHBondContact O-N 2.92Å; E177-K180 VanDerWaalsContact O-N 3.07Å; E177-S181 PolarHBondContact O-N 3.18Å
178E69.4Low69.7Low107 Ų107112.9 Ų112.950%0.559%0.592SS.*Hα-helixtrans-69.3-31.7179.8-160.8-179.278.100112.9S174 K180 S181 K182S174-E178 PolarHBondContact O-N 3.49Å; E178-K180 VanDerWaalsContact C-N 3.31Å; E178-K180 PolarHBondContact O-N 3.37Å; E178-S181 PolarHBondContact O-N 3.33Å; E178-S181 PolarHBondContact O-OG 3.15Å; E178-K182 HydrophobicContact CG-CD 4.11Å; E178-K182 HydrophobicContact CG-CG 4.46Å; E178-K182 WeakPolarHBondContact O-CB 3.28Å; E178-K182 WeakPolarHBondContact O-CG 3.47Å; E178-K182 PolarHBondContact O-N 3.32Å; E178-K182 WeakPolarHBondContact OE1-CE 3.26Å; E178-K182 IonicContact OE1-NZ 2.8Å; E178-K182 PolarHBondContact OE1-NZ 2.89Å
179Q64.1Low68.1Low140 Ų140121.3 Ų121.365%0.65461%0.614SS**Hα-helixtrans-64.1-35.5169.8-73.7-178.911.300112.2Q175 E177 K183Q175-Q179 WeakPolarHBondContact O-CG 3.28Å; Q175-Q179 PolarHBondContact O-N 3.46Å; Q175-Q179 VanDerWaalsContact O-N 3.12Å; E177-Q179 VanDerWaalsContact C-N 3.35Å; E177-Q179 PolarHBondContact O-N 3.1Å; Q179-K183 WeakPolarHBondContact O-CB 3.5Å; Q179-K183 PolarHBondContact O-N 3.44Å; Q179-K183 VanDerWaalsContact O-N 3.15Å
180K63Low65.9Low126 Ų126128 Ų12855%0.54863%0.632SS.*Hα-helixtrans-68.8-39173.6-71.4166.8-178.31660112Q176 E177 E178 K184Q176-K180 WeakPolarHBondContact O-CG 3.49Å; Q176-K180 PolarHBondContact O-N 3.19Å; E177-K180 WeakPolarHBondContact O-CA 3.38Å; E177-K180 WeakPolarHBondContact O-CB 3.46Å; E177-K180 PolarHBondContact O-N 2.92Å; E177-K180 VanDerWaalsContact O-N 3.07Å; E178-K180 VanDerWaalsContact C-N 3.31Å; E178-K180 PolarHBondContact O-N 3.37Å; K180-K184 PolarHBondContact O-N 3.19Å
181S58.8Low63.6Low65 Ų65132.5 Ų132.546%0.45565%0.647SS.*Hα-helixtrans-70.3-42.8178.676.10000111.9E177 E178 K183 K184 K185E177-S181 PolarHBondContact O-N 3.18Å; E178-S181 PolarHBondContact O-N 3.33Å; E178-S181 PolarHBondContact O-OG 3.15Å; S181-K183 PolarHBondContact O-N 3.04Å; S181-K184 PolarHBondContact O-N 3.06Å; S181-K184 VanDerWaalsContact O-N 3.12Å; S181-K185 PolarHBondContact O-N 2.91Å; S181-K185 VanDerWaalsContact O-N 3.15Å
182K61.4Low61.4Low126 Ų126136.6 Ų136.655%0.54867%0.667SS.*Hα-helixtrans-59.7-41.9174.8-75.2168.8173.3169.50112.1E178 K184 K185 S186E178-K182 HydrophobicContact CG-CD 4.11Å; E178-K182 HydrophobicContact CG-CG 4.46Å; E178-K182 WeakPolarHBondContact O-CB 3.28Å; E178-K182 WeakPolarHBondContact O-CG 3.47Å; E178-K182 PolarHBondContact O-N 3.32Å; E178-K182 WeakPolarHBondContact OE1-CE 3.26Å; E178-K182 IonicContact OE1-NZ 2.8Å; E178-K182 PolarHBondContact OE1-NZ 2.89Å; K182-K184 VanDerWaalsContact C-N 3.28Å; K182-K184 PolarHBondContact O-N 2.88Å; K182-K185 PolarHBondContact O-N 3.45Å; K182-K185 VanDerWaalsContact O-N 3.08Å; K182-S186 PolarHBondContact O-N 3.4Å
183K57.2Low60.3Low173 Ų173135.2 Ų135.275%0.75267%0.673SS**Hα-helixtrans-66.9-21.7176.2-168.1168-176.8174.70114.3Q179 S181 S186Q179-K183 WeakPolarHBondContact O-CB 3.5Å; Q179-K183 PolarHBondContact O-N 3.44Å; Q179-K183 VanDerWaalsContact O-N 3.15Å; S181-K183 PolarHBondContact O-N 3.04Å; K183-S186 PolarHBondContact O-OG 3.35Å
184K58.4Low57.8Low173 Ų173136.3 Ų136.375%0.75268%0.679SS**Hα-helixtrans-78.7-34.6168.5-72-177.4175.3-176.30112.4K180 S181 K182K180-K184 PolarHBondContact O-N 3.19Å; S181-K184 PolarHBondContact O-N 3.06Å; S181-K184 VanDerWaalsContact O-N 3.12Å; K182-K184 VanDerWaalsContact C-N 3.28Å; K182-K184 PolarHBondContact O-N 2.88Å
185K56.8Low55.7Low159 Ų159137.7 Ų137.769%0.69169%0.685SS**Hα-helixtrans-76.4-26.5-173.5-152.4167.8-173.1173.80113.6S181 K182 A187S181-K185 PolarHBondContact O-N 2.91Å; S181-K185 VanDerWaalsContact O-N 3.15Å; K182-K185 PolarHBondContact O-N 3.45Å; K182-K185 VanDerWaalsContact O-N 3.08Å; K185-A187 VanDerWaalsContact C-N 3.28Å; K185-A187 PolarHBondContact O-N 2.94Å
186S51.3Low53.5Low95 Ų95138.2 Ų138.266%0.66470%0.696SS**G310 helixtrans-69.3-20.1175.2550000114.3K182 K183 K188K182-S186 PolarHBondContact O-N 3.4Å; K183-S186 PolarHBondContact O-OG 3.35Å; S186-K188 VanDerWaalsContact C-N 3.31Å; S186-K188 PolarHBondContact O-N 2.89Å
187A53.7Low51.6Low87 Ų87137.9 Ų137.972%0.71971%0.706SS**G310 helixtrans-81.5-0.4-178.200000114.8K185K185-A187 VanDerWaalsContact C-N 3.28Å; K185-A187 PolarHBondContact O-N 2.94Å
188K55.2Low50.9Low186 Ų186136.4 Ų136.481%0.80971%0.709SS**G310 helixtrans-132.938.5-171.1-163.761.9178.1-177.70113.6S186S186-K188 VanDerWaalsContact C-N 3.31Å; S186-K188 PolarHBondContact O-N 2.89Å
189R55.6Low49.3Very low225 Ų225136.3 Ų136.385%0.84972%0.72SS**  trans-142.496.1168.3-69.2-165176.6-144.7-7.9113.5
190K40.6Very low47.8Very low198 Ų198136 Ų13686%0.86173%0.728SS**  trans-144.8152.6147.2-159.7-176.4-179.3-170.80108
191L37.4Very low46.5Very low157 Ų157134.8 Ų134.882%0.82274%0.735SS**  trans83.1129179-51.5178.2000116.8
192T40.1Very low45.4Very low135 Ų135138 Ų13883%0.82875%0.752SS**  trans-157.7175173.650.80000104.8
193P59.3Low44.2Very low118 Ų118136.8 Ų136.877%0.76676%0.759SS**  cis-115.2-162.2-0.346.1-31.1000110.9
194N31.3Very low43.3Very low139 Ų139136.5 Ų136.574%0.74377%0.765SS**  -160.6144.558.6-166.223000114.5
195T32.3Very low42.3Very low110 Ų110133.4 Ų133.468%0.67576%0.764SS**  trans1.7130.7155.2-49.10000121.5
196T31.8Very low41.2Very low133 Ų133131.3 Ų131.382%0.81678%0.777SS**  -171.8153.2112.5-67.90000110.6
197S35.1Very low40.3Very low101 Ų101129.8 Ų129.871%0.70678%0.777SS**  trans-131.7-178.2-172.6-52.60000109.7
198P56.6Low39.3Very low112 Ų112132 Ų13273%0.72778%0.781SS**  cis-139.8-168.95.843.7-24.5000117.1
199S35.1Very low38.4Very low105 Ų105129 Ų12973%0.73478%0.779SS**  trans80157.4166.2-550000116.2
200T32.3Very low37.4Very low133 Ų133123.4 Ų123.482%0.81677%0.774SS**  cis-140.9-176.17-26.60000111.6
201S35.6Very low37.1Very low100 Ų100120 Ų12070%0.69977%0.77SS**  trans-71.3169.6170.660.40000112.1
202T35.8Very low37.1Very low132 Ų132117.2 Ų117.281%0.8176%0.764SS**  cis-159.1161.947.6-62.10000112.5
203S37.1Very low36.8Very low101 Ų101117 Ų11771%0.70676%0.762SS**  trans-119.8138-173.155.90000114.6
204I38Very low35.8Very low168 Ų168117.9 Ų117.986%0.86277%0.766SS**  trans-174.4172.6152.437174.6000109.4
205S37.8Very low37.3Very low107 Ų107117.1 Ų117.175%0.74877%0.768SS**  165.7117.6-53.8-86.80000111.3
206A33.3Very low37.3Very low115 Ų115116.3 Ų116.395%0.9577%0.773SS**  trans65.6165155.600000121.9
207G33.6Very low37.4Very low64 Ų64115.2 Ų115.266%0.6677%0.77SS**  trans109114.9-179.300000112.7
208T31.8Very low37.4Very low134 Ų134117 Ų11782%0.82278%0.777SS**  cis58.1119.336.877.50000112.6
209T35.2Very low36.6Very low123 Ų123117.8 Ų117.876%0.75578%0.78SS**  cis-153.4159.847.338.90000111.8
210S36.4Very low37.2Very low106 Ų106118.5 Ų118.574%0.74178%0.782SS**  51.7143.5101.9-35.80000115.8
211T33.7Very low37.4Very low128 Ų128116.6 Ų116.679%0.78578%0.78SS**  cis-149.417827.8400000115.1
212S36.9Very low37.2Very low98 Ų98117 Ų11769%0.68578%0.783SS**  trans-46.2165.2164.249.30000116.3
213T34.8Very low37.3Very low131 Ų131117.4 Ų117.480%0.80479%0.785SS**  -160.1179.461.740.90000115
214T38.2Very low37.4Very low136 Ų136118.9 Ų118.983%0.83479%0.79SS**  trans-115.3-147.5-173.952.60000112.3
215P61.3Low38Very low123 Ų123117 Ų11780%0.79979%0.789SS**  -129.9168.4-118.839.7-19.5000118.3
216A32.3Very low37.9Very low93 Ų93116.1 Ų116.177%0.76979%0.788SS**  trans-156.1145.9157.600000107.7
217S34.4Very low38.3Very low109 Ų109115.9 Ų115.976%0.76278%0.779SS**  cis75.4105.434-167.40000115.2
218T36Very low38.3Very low139 Ų139120.1 Ų120.185%0.85379%0.793SS**  -178.4143129.929.80000112
219T38.6Very low38.6Very low129 Ų129118.9 Ų118.979%0.79179%0.79SS**  trans-94.4165.6152.5540000109
220P48.3Very low38.5Very low120 Ų120120.3 Ų120.378%0.77980%0.798SS**  -157.4161.698.640.3-21.3000118.6
221A36Very low38.3Very low93 Ų93119.7 Ų119.777%0.76980%0.8SS**  trans55.2122136.400000125.3
222S32.8Very low38.5Very low108 Ų108118.8 Ų118.876%0.75580%0.799SS**  70.3131.1122.4-160.40000123
223T36.8Very low38.6Very low140 Ų140119 Ų11986%0.85980%0.8SS**  -171.6157.1117.717.50000112.9
224T39Very low38.7Very low132 Ų132121.6 Ų121.681%0.8180%0.803SS**  trans-117.2168.4168.546.50000110.3
225P51.4Low38.4Very low129 Ų129118.9 Ų118.984%0.83879%0.794SS**  -145.4171.6120.937.3-22.1000116.6
226A34.9Very low37.2Very low88 Ų88118.4 Ų118.473%0.72779%0.794SS**  trans-76.5178.8168.900000112.6
227S41.3Very low37.4Very low110 Ų110122 Ų12277%0.76980%0.795SS**  cis-173.9156.6-19.7-92.80000108.5
228T34Very low37.1Very low153 Ų153126 Ų12694%0.93980%0.801SS**  trans-151.2165.4159.6-11.40000112.5
229S39.3Very low36.9Very low109 Ų109123.2 Ų123.276%0.76280%0.8SS**  trans-137.3155-159.252.90000115.2
230T32.3Very low36.6Very low152 Ų152123.1 Ų123.193%0.93381%0.805SS**  trans-158.3156.9158.516.20000111
231A32.6Very low36.6Very low93 Ų93122.4 Ų122.477%0.76980%0.803SS**  trans-152.2172.7-17900000109.2
232S37.1Very low37.6Very low110 Ų110123.9 Ų123.977%0.76980%0.804SS**  cis-131.8-144.214.6-61.10000110.1
233S39.1Very low37.6Very low101 Ų101127.1 Ų127.171%0.70681%0.808SS**  cis-157.6158.615.7-59.90000113.6
234Q38.1Very low38.7Very low187 Ų187125.3 Ų125.387%0.87480%0.798SS**  trans14151137.4-67.8176.6-59.700122
235A30.9Very low40.1Very low78 Ų78124.2 Ų124.265%0.64579%0.793SS**  cis-172.2164.4-9.900000113
236S36.6Very low40.2Very low114 Ų114123.6 Ų123.680%0.79779%0.789SS**  trans68157.2159.1-51.10000117.1
237Q35.1Very low40.2Very low167 Ų167127.1 Ų127.178%0.7879%0.791SS**  cis-153.8143.819.257.7-142.1-13.500113
238E29.7Very low39.8Very low194 Ų194126.6 Ų126.691%0.90779%0.787SS**  trans51.1153.9152.5-59.1177.8111.200119.5
239G30.7Very low39.7Very low80 Ų80127.2 Ų127.283%0.82578%0.779SS**  cis124.2129.422.500000107.4
240S32.6Very low39.4Very low127 Ų127127.9 Ų127.989%0.88878%0.784SS**  cis-158.7177.125.5-1790000112.5
241S49.1Very low39.7Very low106 Ų106126.2 Ų126.274%0.74178%0.778SS**  trans-92.8-177.2161.5-130.20000110.8
242P55.8Low40.2Very low123 Ų123127.2 Ų127.280%0.79978%0.78SS**  cis-146.7-163.528.244.8-22.5000118.2
243E33Very low40.4Very low177 Ų177129.1 Ų129.183%0.82778%0.78SS**  trans-116.3-176.1171.6-126.9-17266.500109.4
244P60.3Low40.6Very low102 Ų102128 Ų12866%0.66278%0.777SS**  cis-127.2-116-1623.63.8000115.9
245P68Low40.4Very low108 Ų108125.6 Ų125.670%0.70177%0.77SS**  -123.8-168.5-11944.4-25.3000115
246P53.7Low41Very low116 Ų116130.9 Ų130.975%0.75378%0.781SS**  -153.3160.48439.6-19.3000119.3
247E33.9Very low40.9Very low163 Ų163132.9 Ų132.976%0.76278%0.778SS**  trans8.5152.5143.9-42.5-170.2128.100121.4
248S33.9Very low41.1Very low98 Ų98135.3 Ų135.369%0.68578%0.781SS**  -173.5156.762.8-85.60000116.7
249H32.7Very low41.4Very low166 Ų166130.5 Ų130.577%0.76977%0.766SS**  trans-10.2151.2163-37.6-70000123.8
250S32Very low41.7Very low124 Ų124131 Ų13187%0.86776%0.762SS**  -163.6165.2113.6-161.70000113
251S38.2Very low41.8Very low117 Ų117129.7 Ų129.782%0.81876%0.759SS**  trans-132.3141.8-172.6-55.20000113.1
252S44.3Very low41.1Very low114 Ų114128.5 Ų128.580%0.79776%0.763SS**  trans-162.5133.7163.7-147.70000107.3
253L40.3Very low40Very low150 Ų150129.2 Ų129.279%0.78577%0.765SS**  cis73.8143.218.9-120175.2000114.2
254A43.3Very low40.1Very low77 Ų77130.1 Ų130.164%0.63677%0.767SS**  trans64.7124-148.400000112
255D34.7Very low39Very low136 Ų136130.6 Ų130.673%0.72777%0.768SS**  cis68107.744.5-58.7-72.1000113.1
256H43Very low37.4Very low189 Ų189128.8 Ų128.888%0.87577%0.769SS**  -170.4130.2115.6-108.5-74.4000113.2
257E34.3Very low36.6Very low157 Ų157127.8 Ų127.873%0.73477%0.771SS**  trans-70.3145.7166.4-178-169135.400110.9T259E257-T259 PolarHBondContact OE1-OG1 3.09Å
258Y39.7Very low36.8Very low217 Ų217128.9 Ų128.985%0.85178%0.776SS**  trans-121114.4158.7-175.6-99.8000111.5
259T36.8Very low36.9Very low94 Ų94129 Ų12958%0.57778%0.782SS**  trans-77.7135.6-178.2-440000112.1E257E257-T259 PolarHBondContact OE1-OG1 3.09Å
260A37Very low37.1Very low90 Ų90125 Ų12574%0.74479%0.787SS**  trans-137126.1160.900000109.8
261A33.9Very low37.5Very low100 Ų100131.2 Ų131.283%0.82679%0.791SS**  trans-75.3151.9-16100000115.5
262G34.6Very low37.5Very low81 Ų81132.6 Ų132.684%0.83580%0.795SS**  trans-158.265.8175.800000112.5
263T33.1Very low37.4Very low137 Ų137132.1 Ų132.184%0.8479%0.792SS**  trans-74.8125.7-172.543.90000114.9
264F35.3Very low37.7Very low196 Ų196133.9 Ų133.986%0.8680%0.796SS**  trans-152.4164.3136.6-157.6-111.6000112.3
265T37.1Very low38.3Very low113 Ų113135.4 Ų135.469%0.69380%0.799SS**  trans-75.9162.1-177.657.10000112.3
266G32.8Very low38.6Very low69 Ų69138.3 Ų138.371%0.71181%0.811SS**  cis164.4-167.5-100000111.5
267A37.8Very low38.5Very low96 Ų96133.5 Ų133.579%0.79380%0.804SS**  trans76.3105.3171.600000120.2
268Q38.8Very low39Very low186 Ų186131.9 Ų131.987%0.86981%0.807SS**  46.3111.4129.8-54.1-111.3-60.800118.8
269A35.2Very low39.1Very low99 Ų99125 Ų12582%0.81880%0.802SS**  77.312564.700000115.1
270G37.8Very low39.6Very low84 Ų84127.4 Ų127.487%0.86682%0.816SS**  trans154.787174.800000114.7
271R39.3Very low40.2Very low253 Ų253132.1 Ų132.196%0.95582%0.82SS**  trans-97122.5167.7-72.8-176.4175.8-161.90.7110.3
272T38.1Very low40.9Very low146 Ų146135.6 Ų135.690%0.89682%0.824SS**  trans-144.7153.1146.765.10000110
273S42.3Very low41.3Very low105 Ų105137.2 Ų137.273%0.73482%0.818SS**  trans-153.1111.4177.456.30000110.5
274Q46.2Very low41.7Very low186 Ų186139.8 Ų139.887%0.86982%0.82SS**  trans-147.2147.8165.6-80.8-56-64.300110.5
275P57.7Low42Very low109 Ų109141.7 Ų141.771%0.70882%0.822SS**  trans-104159.7-178.239.2-33.3000113.3
276M39.7Very low42.4Very low198 Ų198148.5 Ų148.598%0.97584%0.835SS**  trans-159.9155.2156.3-121.9175.2177.400113.7
277A40.8Very low43.1Very low87 Ų87150.4 Ų150.472%0.71983%0.834SS**  trans-148.4175.8173.600000106.9
278P46Very low42.9Very low123 Ų123151.8 Ų151.880%0.79984%0.839SS**  cis-136.8163.55.641.6-25000116.7
279G41Very low42.8Very low73 Ų73147.5 Ų147.575%0.75384%0.835SS**  trans75.2136.5141.200000120.6
280V47.7Very low42.9Very low145 Ų145148.5 Ų148.588%0.87984%0.836SS**  -176.2141.9128.8143.80000108.3
281F48.5Very low43Very low189 Ų189149.7 Ų149.783%0.82983%0.831SS**  trans-76.6145.9173.5-81.8-119.1000110.8
282L48.3Very low43.8Very low173 Ų173143.2 Ų143.291%0.90682%0.822SS**  trans-150.6127.8137.7-138.970.6000112.9
283T43.3Very low43.7Very low114 Ų114142.1 Ų142.170%0.69981%0.81SS**  trans-95136.1174.1-76.80000109.8
284Q41.8Very low43.5Very low191 Ų191144.6 Ų144.689%0.89382%0.815SS**  trans-168.6166.3132.5-109.8167.9106.500115.5
285R42.6Very low43.3Very low236 Ų236141.9 Ų141.989%0.89181%0.807SS**  trans-96.4159.6-179.3-56.5176.2-178.3-163.2-0.6110.3
286R45.1Very low42.5Very low256 Ų256143.9 Ų143.997%0.96682%0.817SS**  trans-126.8105.3174.3-164.2179.7-163.7-124.65.4112.5
287P47.5Very low42.6Very low109 Ų109139.5 Ų139.571%0.70881%0.813SS**  trans-121.8140.8166.336.7-25.6000112.8
288S34.1Very low42.8Very low126 Ų126140.3 Ų140.388%0.88182%0.819SS**  trans-175.1161.3159.7-99.50000114.3
289A36.5Very low42.6Very low95 Ų95145 Ų14579%0.78583%0.827SS**  trans69.4138.6170.200000118.5
290S36.4Very low42.8Very low120 Ų120144.6 Ų144.684%0.83982%0.823SS**  cis-162.7162.4-21.741.20000111.4
291S40.9Very low43.3Very low109 Ų109147.9 Ų147.976%0.76283%0.825SS**  trans-77.2177.5176.7-123.30000112.5
292P55.4Low43Very low118 Ų118150.5 Ų150.577%0.76683%0.83SS**  cis-143.5144.83839.5-18.2000120.7
293N36.8Very low43.2Very low123 Ų123148.3 Ų148.366%0.65882%0.823SS**  34127.4126.6-16930.7000122.3
294N37.7Very low43.9Very low157 Ų157152.8 Ų152.884%0.8483%0.833SS**  trans-148.6152.6131.2-157.6-6.2000111.3
295N40.8Very low44.7Very low128 Ų128153.3 Ų153.368%0.68483%0.832SS**  trans-99145.7-177-89.8-58.9000113
296T41.9Very low45.3Very low151 Ų151145 Ų14593%0.92682%0.82SS**  trans-162.2141.4145.612.40000109.5
297A42.1Very low46Very low107 Ų107141.8 Ų141.888%0.88482%0.818SS**  trans-104.1132.5-175.900000112.1
298A43.4Very low46.7Very low103 Ų103139 Ų13985%0.85180%0.804SS**  trans-149.1144.7168.900000111.8
299K43.7Very low48.4Very low223 Ų223137.1 Ų137.197%0.9779%0.788SS**  trans-68.3133.1179.2-67.4171179169.80110.9
300G45Very low49.4Very low64 Ų64136 Ų13666%0.6678%0.778SS**  trans-173.698.5170.600000114.9R302G300-R302 PolarHBondContact O-N 2.81Å
301K56.8Low50.7Low213 Ų213138.8 Ų138.893%0.92678%0.775SS**  trans-70.278168.2-69.2-179.5179.7177.40109.9T303K301-T303 PolarHBondContact O-N 2.87Å
302R42.1Very low51.9Low245 Ų245139.4 Ų139.493%0.92577%0.766SS**  trans-66.791.5175.4-86.2172.460.1170.3-4.8110.1G300G300-R302 PolarHBondContact O-N 2.81Å
303T53.9Low52.2Low126 Ų126142.4 Ų142.477%0.77376%0.762SS**  trans-54.8143.7168.447.70000110.1K301 K305K301-T303 PolarHBondContact O-N 2.87Å; T303-K305 PolarHBondContact O-N 2.9Å
304K57.3Low53.5Low209 Ų209141.2 Ų141.291%0.90976%0.755SS**  trans-62.6103.5-178.5-170170.8-176.1173.80108.6G306K304-G306 PolarHBondContact O-N 3.1Å
305K58.2Low54.8Low201 Ų201135.6 Ų135.687%0.87474%0.735SS**  trans-55.9103.6-173.9-173.7174.1-1771760109.5T303 M307T303-K305 PolarHBondContact O-N 2.9Å; K305-M307 PolarHBondContact O-N 3.23Å
306G55.9Low55.8Low61 Ų61137.3 Ų137.363%0.62974%0.736SS**  trans-55.8138.6-177.800000110.7K304 A308K304-G306 PolarHBondContact O-N 3.1Å; G306-A308 VanDerWaalsContact C-N 3.35Å; G306-A308 PolarHBondContact O-N 2.88Å
307M58.9Low56.7Low189 Ų189135 Ų13593%0.93172%0.717SS**  trans-68.295.1178-161.6172.5-166.200108K305 T309K305-M307 PolarHBondContact O-N 3.23Å; M307-T309 PolarHBondContact O-N 3.02Å; M307-T309 VanDerWaalsContact O-N 3.1Å
308A62Low57.6Low50 Ų50135.5 Ų135.541%0.41370%0.704SS.*  trans-55.3118.4-176.700000109.2G306 Q312G306-A308 VanDerWaalsContact C-N 3.35Å; G306-A308 PolarHBondContact O-N 2.88Å; A308-Q312 HydrophobicContact CB-CB 4.46Å
309T71.6Confident58.4Low87 Ų87137.8 Ų137.853%0.53470%0.695SS.*  trans-59.7151.5-173.4580000110.1M307 K311 Q312 R313M307-T309 PolarHBondContact O-N 3.02Å; M307-T309 VanDerWaalsContact O-N 3.1Å; T309-K311 PolarHBondContact O-N 3.48Å; T309-Q312 WeakPolarHBondContact O-CA 3.48Å; T309-Q312 WeakPolarHBondContact O-CB 3.47Å; T309-Q312 PolarHBondContact O-N 2.91Å; T309-R313 PolarHBondContact O-N 3.02Å
310A57.3Low59Low71 Ų71133.2 Ų133.259%0.58768%0.68SS**Hα-helixtrans-50.9-37.7-175.300000112.4Q312 R313 L314A310-Q312 VanDerWaalsContact C-N 3.32Å; A310-Q312 PolarHBondContact O-N 3.32Å; A310-R313 PolarHBondContact O-N 3.38Å; A310-L314 WeakPolarHBondContact O-CB 3.37Å; A310-L314 WeakPolarHBondContact O-CG 3.45Å; A310-L314 PolarHBondContact O-N 3.29Å
311K63.3Low59.6Low180 Ų180137.8 Ų137.878%0.78368%0.684SS**Hα-helixtrans-56.8-36.3174.8-159167.1-173.6172.50113.7T309 G315T309-K311 PolarHBondContact O-N 3.48Å; K311-G315 PolarHBondContact O-N 2.73Å
312Q65.3Low59.8Low122 Ų122138 Ų13857%0.5768%0.679SS**Hα-helixtrans-75.5-25.7174.7-69.6-176.4-2700113.6A308 T309 A310A308-Q312 HydrophobicContact CB-CB 4.46Å; T309-Q312 WeakPolarHBondContact O-CA 3.48Å; T309-Q312 WeakPolarHBondContact O-CB 3.47Å; T309-Q312 PolarHBondContact O-N 2.91Å; A310-Q312 VanDerWaalsContact C-N 3.32Å; A310-Q312 PolarHBondContact O-N 3.32Å
313R61.9Low60.7Low180 Ų180132.4 Ų132.468%0.67967%0.667SS**Hα-helixtrans-80.1-48.8174.8-59.2-175.676.3-175.51.8110.5T309 A310 G315 K316 I317T309-R313 PolarHBondContact O-N 3.02Å; A310-R313 PolarHBondContact O-N 3.38Å; R313-G315 PolarHBondContact O-N 2.97Å; R313-K316 PolarHBondContact O-N 3.41Å; R313-I317 PolarHBondContact O-N 3.31Å
314L63.4Low61.1Low99 Ų99129.6 Ų129.652%0.51866%0.663SS.*Hα-helixtrans-58.1-44.6174.4-69.2170000112A310 K316 I317 L318A310-L314 WeakPolarHBondContact O-CB 3.37Å; A310-L314 WeakPolarHBondContact O-CG 3.45Å; A310-L314 PolarHBondContact O-N 3.29Å; L314-K316 PolarHBondContact O-N 3Å; L314-I317 PolarHBondContact O-N 3.13Å; L314-I317 VanDerWaalsContact O-N 3.1Å; L314-L318 WeakPolarHBondContact O-CG 3.47Å; L314-L318 PolarHBondContact O-N 2.83Å
315G65.1Low61.2Low39 Ų39128.9 Ų128.940%0.40266%0.66SS.*Hα-helixtrans-58.9-30.3177.700000113.8K311 R313 K319K311-G315 PolarHBondContact O-N 2.73Å; R313-G315 PolarHBondContact O-N 2.97Å; G315-K319 VanDerWaalsContact O-CB 3.28Å; G315-K319 WeakPolarHBondContact O-CB 3.36Å; G315-K319 PolarHBondContact O-N 3.12Å
316K63.3Low61.1Low163 Ų163126.9 Ų126.971%0.70966%0.658SS**Hα-helixtrans-76.6-37.2174.6-73.8-172.5175-167.60112.9R313 L314 I320R313-K316 PolarHBondContact O-N 3.41Å; L314-K316 PolarHBondContact O-N 3Å; K316-I320 WeakPolarHBondContact O-CG1 3.36Å
317I60.8Low60.6Low103 Ų103131.9 Ų131.953%0.52867%0.669SS.*Hα-helixtrans-66.2-49.3176.3-64.5159.5000110R313 L314 K319 I320 H321R313-I317 PolarHBondContact O-N 3.31Å; L314-I317 PolarHBondContact O-N 3.13Å; L314-I317 VanDerWaalsContact O-N 3.1Å; I317-K319 VanDerWaalsContact C-N 3.29Å; I317-K319 PolarHBondContact O-N 3.17Å; I317-I320 WeakPolarHBondContact O-CB 3.31Å; I317-I320 PolarHBondContact O-N 3.35Å; I317-H321 PolarHBondContact O-N 3.14Å
318L60Low59.9Low118 Ų118134 Ų13462%0.61868%0.683SS**Hα-helixtrans-66.4-27.5179.9-68.3168.1000113.4L314 I320 H321 R322L314-L318 WeakPolarHBondContact O-CG 3.47Å; L314-L318 PolarHBondContact O-N 2.83Å; L318-I320 VanDerWaalsContact C-N 3.29Å; L318-I320 PolarHBondContact O-N 2.89Å; L318-H321 PolarHBondContact O-N 3.49Å; L318-R322 PolarHBondContact O-N 2.92Å
319K59.8Low59.8Low150 Ų150138.3 Ų138.365%0.65270%0.697SS**Hα-helixtrans-68.6-27.6175.8-164.569.4172.5179.80112.6G315 I317G315-K319 VanDerWaalsContact O-CB 3.28Å; G315-K319 WeakPolarHBondContact O-CB 3.36Å; G315-K319 PolarHBondContact O-N 3.12Å; I317-K319 VanDerWaalsContact C-N 3.29Å; I317-K319 PolarHBondContact O-N 3.17Å
320I58.1Low59.2Low127 Ų127140.9 Ų140.965%0.65171%0.705SS**Hα-helixtrans-71-46.2173.9-58.1161.2000109.4K316 I317 L318 R322 N323K316-I320 WeakPolarHBondContact O-CG1 3.36Å; I317-I320 WeakPolarHBondContact O-CB 3.31Å; I317-I320 PolarHBondContact O-N 3.35Å; L318-I320 VanDerWaalsContact C-N 3.29Å; L318-I320 PolarHBondContact O-N 2.89Å; I320-R322 PolarHBondContact O-N 2.89Å; I320-N323 PolarHBondContact O-N 2.84Å
321H55.9Low59.3Low161 Ų161144.8 Ų144.875%0.74571%0.712SS**Hα-helixtrans-60.9-17.7-178.2-113.5-85.5000115.4I317 L318I317-H321 PolarHBondContact O-N 3.14Å; L318-H321 PolarHBondContact O-N 3.49Å
322R61.8Low59.1Low218 Ų218142.8 Ų142.882%0.82371%0.708SS**THydrogen-bonded Turntrans-90.5-12177.2-165.3163.8178.9124.8-1.5113.9L318 I320L318-R322 PolarHBondContact O-N 2.92Å; I320-R322 PolarHBondContact O-N 2.89Å
323N60.5Low58.7Low127 Ų127144.1 Ų144.168%0.67972%0.716SS**SBendtrans-106.359.2177.4-69.617.3000109.3I320 K325I320-N323 PolarHBondContact O-N 2.84Å; N323-K325 PolarHBondContact O-N 2.94Å; N323-K325 VanDerWaalsContact O-N 3.15Å
324G62.4Low58.5Low66 Ų66141.7 Ų141.768%0.6872%0.719SS**  trans-56.9113.4-163.600000114.8
325K59.2Low58.1Low195 Ų195144.7 Ų144.785%0.84873%0.733SS**  trans-148.197.1158.1-135.6175-172.81800108.4N323N323-K325 PolarHBondContact O-N 2.94Å; N323-K325 VanDerWaalsContact O-N 3.15Å
326L55.9Low57.6Low159 Ų159152.8 Ų152.883%0.83276%0.758SS**  trans-67.4132.1163.4-88.281.8000107.8
327L45.4Very low57.1Low165 Ų165152 Ų15286%0.86476%0.763SS**  trans-112.2140.1147.6-76.1165000105.8
328L45.4Very low56.8Low235 Ų235156.5 Ų156.5100%1.2378%0.784SS**  trans-72.40163.4-85.764.2000108.9

Retrieved 328 of 328 residues in 111.3 ms (Link to these results)