A0A087Y1F2_POEFO Loading...

Zinc finger protein 207, b

AlphaFold DB , UniProt , Accession A0A087Y1F2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 473 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
1M46.9Very low70.3Confident246 Ų246150.2 Ų150.2100%1.21271%0.707SS**  0132.20-69.7176175.600109.3
2G59.9Low72.3Confident77 Ų77137.8 Ų137.879%0.79465%0.649SS**  trans-72.2132.3175.600000111.6K4G2-K4 PolarHBondContact O-N 3.35Å
3R58.3Low74.1Confident250 Ų250127.2 Ų127.294%0.94360%0.599SS**  trans-69.195.1175.7-69.1-179.5178.8172.4-0.7109.5K5R3-K5 VanDerWaalsContact C-N 3.3Å; R3-K5 PolarHBondContact O-N 2.87Å
4K63.8Low75.6Confident204 Ų204118.8 Ų118.889%0.88756%0.559SS**  trans-65.287.4175.8-170.3176-176.61790109.5G2 K6G2-K4 PolarHBondContact O-N 3.35Å; K4-K6 PolarHBondContact O-N 3.35Å; K4-K6 VanDerWaalsContact O-N 3.09Å
5K66.4Low76.9Confident191 Ų191110.9 Ų110.983%0.8352%0.521SS*.  trans-50.7117.5179.5-174.9175.6-178.8179.20108.7R3 K7R3-K5 VanDerWaalsContact C-N 3.3Å; R3-K5 PolarHBondContact O-N 2.87Å; K5-K7 PolarHBondContact O-N 3.47Å
6K67.1Low78Confident146 Ų146106.4 Ų106.464%0.63551%0.506SS*.  trans-51.7115.2175.7-175.8178.9-179.7-177.30107.3K4 Q8K4-K6 PolarHBondContact O-N 3.35Å; K4-K6 VanDerWaalsContact O-N 3.09Å; K6-Q8 PolarHBondContact O-N 3.41Å
7K73.5Confident78.9Confident179 Ų179104.4 Ų104.478%0.77850%0.499SS*.PPolyproline II helixtrans-56.5126.3174.5-69.3-176.1177.8-177.70106.5K5 M9K5-K7 PolarHBondContact O-N 3.47Å; K7-M9 PolarHBondContact O-N 3.04Å
8Q71.5Confident79.7Confident193 Ų193107.6 Ų107.690%0.90251%0.505SS*.PPolyproline II helixtrans-62129.6168.2-77.2180-20.800107K6K6-Q8 PolarHBondContact O-N 3.41Å
9M80.3Confident80.5Confident54 Ų54106.1 Ų106.127%0.26650%0.501SS..PPolyproline II helixtrans-68.8134.4177-69.7-78.4-72.500107.7K7 R94 L97K7-M9 PolarHBondContact O-N 3.04Å; M9-R94 HydrophobicContact CE-CB 4.16Å; M9-R94 HydrophobicContact SD-CB 4.42Å; M9-R94 HydrophobicContact SD-CG 4.18Å; M9-L97 HydrophobicContact CE-CD1 3.69Å; M9-L97 HydrophobicContact CE-CG 4.29Å; M9-L97 HydrophobicContact SD-CD1 4.27Å
10K91.2Very high81.2Confident91 Ų91102 Ų10240%0.39648%0.481SS..PPolyproline II helixtrans-62.2129.8174.8-177163.4174.7158.20108.8D19 F20 D21K10-D19 HydrophobicContact CD-CB 4.42Å; K10-D19 HydrophobicContact CG-CB 4.46Å; K10-F20 WeakPolarHBondContact CE-O 3.4Å; K10-F20 WeakPolarHBondContact CG-O 3.14Å; K10-D21 WeakPolarHBondContact CE-OD1 3.4Å; K10-D21 WeakPolarHBondContact CE-OD2 3.38Å; K10-D21 IonicContact NZ-OD1 2.66Å; K10-D21 PolarHBondContact NZ-OD1 3.49Å; K10-D21 IonicContact NZ-OD2 2.66Å; K10-D21 PolarHBondContact NZ-OD2 2.95Å
11P94.3Very high81.8Confident21 Ų21102.8 Ų102.814%0.13649%0.488CS..PPolyproline II helixtrans-65.2138.7-174.222.5-30.9000111.7F20 E23 L26 M82P11-F20 VanDerWaalsContact CD-O 3.25Å; P11-F20 WeakPolarHBondContact CD-O 3.2Å; P11-F20 WeakPolarHBondContact CG-O 3.35Å; P11-F20 PolarHBondContact O-N 3.48Å; P11-E23 HydrophobicContact CB-CB 4.4Å; P11-L26 HydrophobicContact CB-CD2 3.95Å; P11-M82 HydrophobicContact CB-CG 4.11Å; P11-M82 HydrophobicContact CB-SD 4.05Å
12W94.8Very high84Confident2 Ų295.5 Ų95.51%0.00845%0.454CS..EExtended strand (participates in β ladder)trans-152.7144.8-16675.8-95.2000113.9W14 N17 R18 D19 R93W12-W14 AromaticContact CH2-CD1 3.9Å; W12-W14 HydrophobicContact CZ3-CB 4.43Å; W12-W14 PolarHBondContact O-N 3.31Å; W12-N17 HydrophobicContact CZ3-CB 4.36Å; W12-N17 WeakPolarHBondContact CZ3-OD1 3.3Å; W12-R18 CarbonylContact C-O 3.5Å; W12-R18 VanDerWaalsContact CA-O 3.27Å; W12-R18 WeakPolarHBondContact CA-O 3.09Å; W12-D19 HydrophobicContact CB-CB 4.39Å; W12-D19 WeakPolarHBondContact CB-OD1 3.49Å; W12-R93 HydrophobicContact CZ2-CB 3.37Å; W12-R93 HydrophobicContact CZ2-CG 3.65Å
13C95.5Very high85.6Confident0 Ų096 Ų960%044%0.436CS..EExtended strand (participates in β ladder)trans-85.5111.1-167.7-169.60000114.4Y15 C16 N17 R18 F20 L26C13-Y15 VanDerWaalsContact C-N 3.25Å; C13-Y15 PolarHBondContact O-N 3.49Å; C13-Y15 VanDerWaalsContact O-N 3.15Å; C13-C16 PolarHBondContact O-N 2.72Å; C13-N17 PolarHBondContact O-N 3.23Å; C13-R18 PolarHBondContact N-O 2.97Å; C13-F20 HydrophobicContact CB-CE2 3.97Å; C13-L26 VanDerWaalsContact CA-CD1 3.43Å; C13-L26 HydrophobicContact CB-CD1 3.43Å; C13-L26 VanDerWaalsContact CB-CD1 3.43Å
14W94.9Very high87.4Confident9 Ų992 Ų923%0.03443%0.425CS..THydrogen-bonded Turntrans-47.3-43.4-179.3-172.882.1000114.4W12 C16 R72 D74 L77 I79 I85 D89W12-W14 AromaticContact CH2-CD1 3.9Å; W12-W14 HydrophobicContact CZ3-CB 4.43Å; W12-W14 PolarHBondContact O-N 3.31Å; W14-C16 PolarHBondContact O-N 3.3Å; W14-R72 HydrophobicContact CD2-CB 4.14Å; W14-R72 HydrophobicContact CD2-CG 4.23Å; W14-R72 HydrophobicContact CE3-CB 3.93Å; W14-R72 HydrophobicContact CE3-CG 4.5Å; W14-R72 HydrophobicContact CH2-CB 3.71Å; W14-R72 HydrophobicContact CH2-CG 4Å; W14-R72 HydrophobicContact CZ2-CB 3.9Å; W14-R72 HydrophobicContact CZ2-CG 3.65Å; W14-R72 HydrophobicContact CZ3-CB 3.72Å; W14-R72 HydrophobicContact CZ3-CG 4.4Å; W14-R72 WeakPolarHBondContact CZ3-O 3.19Å; W14-R72 WeakPolarHBondContact O-CD 3.39Å; W14-D74 HydrophobicContact CH2-CB 4.34Å; W14-L77 HydrophobicContact CH2-CD1 3.59Å; W14-L77 HydrophobicContact CZ2-CD1 3.9Å; W14-L77 HydrophobicContact CZ3-CD1 4.28Å; W14-I79 HydrophobicContact CB-CD1 3.94Å; W14-I79 HydrophobicContact CD2-CD1 3.38Å; W14-I79 HydrophobicContact CE3-CD1 3.3Å; W14-I79 HydrophobicContact CG-CD1 3.71Å; W14-I79 HydrophobicContact CH2-CD1 4.44Å; W14-I79 HydrophobicContact CZ3-CD1 3.86Å; W14-I85 HydrophobicContact CB-CD1 4.17Å; W14-I85 HydrophobicContact CB-CG1 4.24Å; W14-I85 HydrophobicContact CG-CG2 4.33Å; W14-D89 VanDerWaalsContact NE1-CG 3.27Å; W14-D89 PolarHBondContact NE1-OD2 3.17Å
15Y94.9Very high88.9Confident0 Ų085.8 Ų85.80%040%0.401CS..THydrogen-bonded Turntrans-67.9-25.2-177.5-58.6-75.9000114.9C13 H34 F35 V65 A68 I69 R72 I79C13-Y15 VanDerWaalsContact C-N 3.25Å; C13-Y15 PolarHBondContact O-N 3.49Å; C13-Y15 VanDerWaalsContact O-N 3.15Å; Y15-H34 HydrophobicContact CD2-CB 4.27Å; Y15-H34 HydrophobicContact CG-CB 4.41Å; Y15-F35 AromaticContact CE2-CE1 3.78Å; Y15-F35 HydrophobicContact CE2-CE1 3.78Å; Y15-F35 HydrophobicContact CE2-CE2 4.5Å; Y15-F35 AromaticContact CE2-CZ 3.5Å; Y15-F35 HydrophobicContact CE2-CZ 3.5Å; Y15-F35 AromaticContact CZ-CE1 3.74Å; Y15-F35 AromaticContact CZ-CZ 3.78Å; Y15-F35 WeakPolarHBondContact OH-CZ 3.36Å; Y15-V65 HydrophobicContact CD1-CB 4.15Å; Y15-V65 HydrophobicContact CD1-CG1 3.87Å; Y15-V65 HydrophobicContact CD1-CG2 4.47Å; Y15-V65 HydrophobicContact CE1-CB 4Å; Y15-V65 HydrophobicContact CE1-CG1 3.93Å; Y15-V65 HydrophobicContact CE1-CG2 3.81Å; Y15-V65 HydrophobicContact CG-CG1 4.41Å; Y15-A68 HydrophobicContact CD1-CB 3.87Å; Y15-A68 HydrophobicContact CG-CB 4.34Å; Y15-A68 CarbonylContact O-C 3.5Å; Y15-A68 VanDerWaalsContact O-CA 3.29Å; Y15-A68 WeakPolarHBondContact O-CA 3.49Å; Y15-I69 WeakPolarHBondContact O-CG1 3.39Å; Y15-I69 PolarHBondContact O-N 2.95Å; Y15-R72 WeakPolarHBondContact CD1-O 3.2Å; Y15-I79 HydrophobicContact CE2-CB 4.2Å; Y15-I79 HydrophobicContact CE2-CD1 4.46Å; Y15-I79 HydrophobicContact CE2-CG2 4.34Å
16C94.6Very high90.4Very high40 Ų4076.7 Ų76.727%0.2736%0.362SS..THydrogen-bonded Turntrans-138.413.4-173.771.10000115.7C13 W14 R18 H29C13-C16 PolarHBondContact O-N 2.72Å; W14-C16 PolarHBondContact O-N 3.3Å; C16-R18 PolarHBondContact O-N 3.22Å; C16-H29 PolarHBondContact SG-NE2 3.08Å
17N93.3Very high91.7Very high72 Ų7270.7 Ų70.739%0.38534%0.336SS..THydrogen-bonded Turntrans55.916.3179.4-71.616.5000115.8W12 C13 I69 R72W12-N17 HydrophobicContact CZ3-CB 4.36Å; W12-N17 WeakPolarHBondContact CZ3-OD1 3.3Å; C13-N17 PolarHBondContact O-N 3.23Å; N17-I69 HydrophobicContact CB-CD1 4.01Å; N17-I69 WeakPolarHBondContact OD1-CD1 3.4Å; N17-R72 PolarHBondContact OD1-NH1 2.66Å
18R94.1Very high92.8Very high161 Ų16168.5 Ų68.561%0.60833%0.329SS*.EExtended strand (participates in β ladder)trans-91131.2-173.6-168.4169.7-176.5140.90.5112.8W12 C13 C16 F20W12-R18 CarbonylContact C-O 3.5Å; W12-R18 VanDerWaalsContact CA-O 3.27Å; W12-R18 WeakPolarHBondContact CA-O 3.09Å; C13-R18 PolarHBondContact N-O 2.97Å; C16-R18 PolarHBondContact O-N 3.22Å; R18-F20 HydrophobicContact CB-CE2 4.01Å; R18-F20 HydrophobicContact CB-CZ 4.19Å; R18-F20 HydrophobicContact CG-CE2 4.06Å; R18-F20 HydrophobicContact CG-CZ 3.85Å; R18-F20 VanDerWaalsContact O-CD2 3.31Å; R18-F20 WeakPolarHBondContact O-CD2 3.27Å; R18-F20 WeakPolarHBondContact O-CE2 3.46Å
19D93.8Very high94Very high80 Ų8060.6 Ų60.643%0.42829%0.292SS..EExtended strand (participates in β ladder)trans-86.9149.6179.1-52-53.7000112.8K10 W12K10-D19 HydrophobicContact CD-CB 4.42Å; K10-D19 HydrophobicContact CG-CB 4.46Å; W12-D19 HydrophobicContact CB-CB 4.39Å; W12-D19 WeakPolarHBondContact CB-OD1 3.49Å
20F95.4Very high94.8Very high24 Ų2458 Ų5811%0.10528%0.279CS..  trans-140.7150.7-178.8-62.3-83.3000110.3K10 P11 C13 R18 I25 L26 H29K10-F20 WeakPolarHBondContact CE-O 3.4Å; K10-F20 WeakPolarHBondContact CG-O 3.14Å; P11-F20 VanDerWaalsContact CD-O 3.25Å; P11-F20 WeakPolarHBondContact CD-O 3.2Å; P11-F20 WeakPolarHBondContact CG-O 3.35Å; P11-F20 PolarHBondContact O-N 3.48Å; C13-F20 HydrophobicContact CB-CE2 3.97Å; R18-F20 HydrophobicContact CB-CE2 4.01Å; R18-F20 HydrophobicContact CB-CZ 4.19Å; R18-F20 HydrophobicContact CG-CE2 4.06Å; R18-F20 HydrophobicContact CG-CZ 3.85Å; R18-F20 VanDerWaalsContact O-CD2 3.31Å; R18-F20 WeakPolarHBondContact O-CD2 3.27Å; R18-F20 WeakPolarHBondContact O-CE2 3.46Å; F20-I25 HydrophobicContact CD1-CB 4.5Å; F20-I25 HydrophobicContact CD1-CG2 3.69Å; F20-I25 HydrophobicContact CE1-CG2 4.35Å; F20-I25 HydrophobicContact CG-CG2 4.49Å; F20-L26 HydrophobicContact CB-CB 4.22Å; F20-L26 HydrophobicContact CD2-CB 3.97Å; F20-L26 HydrophobicContact CD2-CD1 3.89Å; F20-L26 HydrophobicContact CE2-CD1 4.09Å; F20-L26 HydrophobicContact CG-CB 4.2Å; F20-H29 HydrophobicContact CE1-CB 3.86Å; F20-H29 AromaticContact CE1-CG 3.93Å; F20-H29 HydrophobicContact CE2-CB 4.28Å; F20-H29 AromaticContact CE2-CD2 3.52Å; F20-H29 AromaticContact CE2-CG 3.87Å; F20-H29 HydrophobicContact CZ-CB 3.63Å; F20-H29 AromaticContact CZ-CD2 3.36Å; F20-H29 WeakPolarHBondContact CZ-CD2 3.34Å; F20-H29 AromaticContact CZ-CE1 3.96Å; F20-H29 AromaticContact CZ-CG 3.23Å; F20-H29 AromaticContact CZ-ND1 3.64Å; F20-H29 AromaticContact CZ-NE2 3.82Å
21D92.9Very high95Very high118 Ų11855.8 Ų55.863%0.63127%0.269SS*.SBendtrans-75.7-39.9179.8-68.6-86.3000112.3K10K10-D21 WeakPolarHBondContact CE-OD1 3.4Å; K10-D21 WeakPolarHBondContact CE-OD2 3.38Å; K10-D21 IonicContact NZ-OD1 2.66Å; K10-D21 PolarHBondContact NZ-OD1 3.49Å; K10-D21 IonicContact NZ-OD2 2.66Å; K10-D21 PolarHBondContact NZ-OD2 2.95Å
22D94.1Very high95Very high93 Ų9356.7 Ų56.750%0.49728%0.278SS..  trans-113.1142.2177.3-66.3-72.3000112.7K24 I25 L26D22-K24 PolarHBondContact O-N 3.28Å; D22-I25 HydrophobicContact CB-CB 4.39Å; D22-I25 HydrophobicContact CB-CD1 3.96Å; D22-I25 HydrophobicContact CB-CG1 3.98Å; D22-I25 PolarHBondContact O-N 3.02Å; D22-L26 PolarHBondContact O-N 2.97Å
23E93.7Very high95Very high89 Ų8962.7 Ų62.742%0.41631%0.305SS..Hα-helixtrans-59-32.8169.2178.5162.9-122.700112.3P11 I25 L26 I27 M82P11-E23 HydrophobicContact CB-CB 4.4Å; E23-I25 VanDerWaalsContact C-N 3.29Å; E23-I25 PolarHBondContact O-N 3.32Å; E23-L26 WeakPolarHBondContact O-CB 3.27Å; E23-L26 PolarHBondContact O-N 3.47Å; E23-I27 HydrophobicContact CG-CD1 3.81Å; E23-I27 HydrophobicContact CG-CG1 4.31Å; E23-I27 WeakPolarHBondContact O-CD1 3.43Å; E23-I27 VanDerWaalsContact O-CG1 3.29Å; E23-I27 WeakPolarHBondContact O-CG1 3.42Å; E23-I27 PolarHBondContact O-N 3.37Å; E23-M82 PolarHBondContact OE1-N 3.38Å
24K95.4Very high95Very high164 Ų16462.8 Ų62.871%0.71331%0.305SS*.Hα-helixtrans-62.7-35.8174.7-67.2-179.9-179.5175.10112.4D22 Q28D22-K24 PolarHBondContact O-N 3.28Å; K24-Q28 WeakPolarHBondContact O-CG 3.29Å; K24-Q28 PolarHBondContact O-N 2.91Å
25I96.1Very high95.1Very high75 Ų7562.4 Ų62.439%0.38530%0.304SS..Hα-helixtrans-74.7-39.9176.9-60.1169.2000109.7F20 D22 E23 Q28 H29F20-I25 HydrophobicContact CD1-CB 4.5Å; F20-I25 HydrophobicContact CD1-CG2 3.69Å; F20-I25 HydrophobicContact CE1-CG2 4.35Å; F20-I25 HydrophobicContact CG-CG2 4.49Å; D22-I25 HydrophobicContact CB-CB 4.39Å; D22-I25 HydrophobicContact CB-CD1 3.96Å; D22-I25 HydrophobicContact CB-CG1 3.98Å; D22-I25 PolarHBondContact O-N 3.02Å; E23-I25 VanDerWaalsContact C-N 3.29Å; E23-I25 PolarHBondContact O-N 3.32Å; I25-Q28 PolarHBondContact O-N 3.4Å; I25-H29 WeakPolarHBondContact O-CB 3.35Å; I25-H29 PolarHBondContact O-N 3.22Å
26L96.3Very high95.1Very high0 Ų065 Ų650%032%0.315CS..Hα-helixtrans-56-48.8170.9165.360.6000112.2P11 C13 F20 D22 E23 H29 Q30 G81 M82P11-L26 HydrophobicContact CB-CD2 3.95Å; C13-L26 VanDerWaalsContact CA-CD1 3.43Å; C13-L26 HydrophobicContact CB-CD1 3.43Å; C13-L26 VanDerWaalsContact CB-CD1 3.43Å; F20-L26 HydrophobicContact CB-CB 4.22Å; F20-L26 HydrophobicContact CD2-CB 3.97Å; F20-L26 HydrophobicContact CD2-CD1 3.89Å; F20-L26 HydrophobicContact CE2-CD1 4.09Å; F20-L26 HydrophobicContact CG-CB 4.2Å; D22-L26 PolarHBondContact O-N 2.97Å; E23-L26 WeakPolarHBondContact O-CB 3.27Å; E23-L26 PolarHBondContact O-N 3.47Å; L26-H29 WeakPolarHBondContact O-CB 3.49Å; L26-H29 PolarHBondContact O-N 2.9Å; L26-Q30 HydrophobicContact CD1-CG 4.13Å; L26-Q30 WeakPolarHBondContact O-CG 3.33Å; L26-Q30 PolarHBondContact O-N 3.48Å; L26-G81 VanDerWaalsContact CD2-C 3.48Å; L26-G81 WeakPolarHBondContact CD2-O 3.27Å; L26-M82 HydrophobicContact CD2-CG 4Å
27I95.7Very high95.1Very high20 Ų2063.1 Ų63.110%0.10330%0.302CS..Hα-helixtrans-61.5-46.1176.8-67.2158.9000110.4E23 H29 Q30 K31 Y80E23-I27 HydrophobicContact CG-CD1 3.81Å; E23-I27 HydrophobicContact CG-CG1 4.31Å; E23-I27 WeakPolarHBondContact O-CD1 3.43Å; E23-I27 VanDerWaalsContact O-CG1 3.29Å; E23-I27 WeakPolarHBondContact O-CG1 3.42Å; E23-I27 PolarHBondContact O-N 3.37Å; I27-H29 VanDerWaalsContact C-N 3.27Å; I27-H29 PolarHBondContact O-N 3.49Å; I27-Q30 PolarHBondContact O-N 3.24Å; I27-K31 HydrophobicContact CG2-CD 3.99Å; I27-K31 HydrophobicContact CG2-CG 4.39Å; I27-K31 WeakPolarHBondContact O-CB 3.4Å; I27-K31 WeakPolarHBondContact O-CG 3.5Å; I27-K31 PolarHBondContact O-N 2.91Å; I27-Y80 HydrophobicContact CD1-CD1 4.36Å; I27-Y80 HydrophobicContact CD1-CE1 3.71Å; I27-Y80 HydrophobicContact CD1-CE2 4.25Å; I27-Y80 HydrophobicContact CG1-CE1 4.43Å; I27-Y80 HydrophobicContact CG1-CE2 4.32Å; I27-Y80 HydrophobicContact CG2-CD2 4.5Å; I27-Y80 HydrophobicContact CG2-CE2 3.8Å
28Q97Very high95.1Very high132 Ų13263.8 Ų63.862%0.61730%0.303SS*.Hα-helixtrans-59.6-38175.5-75.2-179.912.100112.5K24 I25 A32K24-Q28 WeakPolarHBondContact O-CG 3.29Å; K24-Q28 PolarHBondContact O-N 2.91Å; I25-Q28 PolarHBondContact O-N 3.4Å; Q28-A32 WeakPolarHBondContact O-CB 3.36Å; Q28-A32 PolarHBondContact O-N 3.31Å
29H96.6Very high95.2Very high27 Ų2759.3 Ų59.313%0.12529%0.29CS..Hα-helixtrans-66.3-48.4174.9162.677.5000112.4C16 F20 I25 L26 I27 K31 A32 K33 H34C16-H29 PolarHBondContact SG-NE2 3.08Å; F20-H29 HydrophobicContact CE1-CB 3.86Å; F20-H29 AromaticContact CE1-CG 3.93Å; F20-H29 HydrophobicContact CE2-CB 4.28Å; F20-H29 AromaticContact CE2-CD2 3.52Å; F20-H29 AromaticContact CE2-CG 3.87Å; F20-H29 HydrophobicContact CZ-CB 3.63Å; F20-H29 AromaticContact CZ-CD2 3.36Å; F20-H29 WeakPolarHBondContact CZ-CD2 3.34Å; F20-H29 AromaticContact CZ-CE1 3.96Å; F20-H29 AromaticContact CZ-CG 3.23Å; F20-H29 AromaticContact CZ-ND1 3.64Å; F20-H29 AromaticContact CZ-NE2 3.82Å; I25-H29 WeakPolarHBondContact O-CB 3.35Å; I25-H29 PolarHBondContact O-N 3.22Å; L26-H29 WeakPolarHBondContact O-CB 3.49Å; L26-H29 PolarHBondContact O-N 2.9Å; I27-H29 VanDerWaalsContact C-N 3.27Å; I27-H29 PolarHBondContact O-N 3.49Å; H29-K31 VanDerWaalsContact C-N 3.33Å; H29-K31 PolarHBondContact O-N 2.96Å; H29-A32 PolarHBondContact O-N 3.22Å; H29-K33 WeakPolarHBondContact O-CB 3.48Å; H29-K33 PolarHBondContact O-N 3.07Å; H29-H34 AromaticContact NE2-CD2 3.94Å; H29-H34 AromaticContact NE2-NE2 3.65Å
30Q96.3Very high95.3Very high1 Ų158.2 Ų58.21%0.00529%0.288CS..Hα-helixtrans-51.9-52.4174.4-76.5163.7-2600110.5L26 I27 A32 K33 H34 F35 G81L26-Q30 HydrophobicContact CD1-CG 4.13Å; L26-Q30 WeakPolarHBondContact O-CG 3.33Å; L26-Q30 PolarHBondContact O-N 3.48Å; I27-Q30 PolarHBondContact O-N 3.24Å; Q30-A32 VanDerWaalsContact C-N 3.26Å; Q30-A32 PolarHBondContact O-N 3.29Å; Q30-K33 PolarHBondContact O-N 3.36Å; Q30-H34 PolarHBondContact O-N 2.94Å; Q30-F35 HydrophobicContact CB-CD2 4.05Å; Q30-F35 HydrophobicContact CB-CE2 3.89Å; Q30-F35 PolarHBondContact O-N 3.5Å; Q30-G81 PolarHBondContact NE2-O 3.04Å
31K95Very high95.3Very high43 Ų4362.7 Ų62.719%0.18731%0.309CS..Hα-helixtrans-60.1-29.6176.7-64.1176.867.5-177.40114.4I27 H29 K43 L44 Y45I27-K31 HydrophobicContact CG2-CD 3.99Å; I27-K31 HydrophobicContact CG2-CG 4.39Å; I27-K31 WeakPolarHBondContact O-CB 3.4Å; I27-K31 WeakPolarHBondContact O-CG 3.5Å; I27-K31 PolarHBondContact O-N 2.91Å; H29-K31 VanDerWaalsContact C-N 3.33Å; H29-K31 PolarHBondContact O-N 2.96Å; K31-K43 WeakPolarHBondContact O-CB 3.36Å; K31-K43 WeakPolarHBondContact O-CG 3.29Å; K31-L44 WeakPolarHBondContact CG-O 3.37Å; K31-Y45 HydrophobicContact CD-CD1 3.68Å; K31-Y45 HydrophobicContact CD-CE1 3.66Å; K31-Y45 HydrophobicContact CD-CG 4.44Å; K31-Y45 HydrophobicContact CG-CD1 4.31Å; K31-Y45 PolarHBondContact NZ-OH 3.39Å
32A94.8Very high95.4Very high40 Ų4062.3 Ų62.333%0.33130%0.302SS..Hα-helixtrans-95.3-22.7-174.500000114.4Q28 H29 Q30Q28-A32 WeakPolarHBondContact O-CB 3.36Å; Q28-A32 PolarHBondContact O-N 3.31Å; H29-A32 PolarHBondContact O-N 3.22Å; Q30-A32 VanDerWaalsContact C-N 3.26Å; Q30-A32 PolarHBondContact O-N 3.29Å
33K95.2Very high95.5Very high128 Ų12863.8 Ų63.856%0.55730%0.304SS*.Hα-helixtrans-115.6-34.1-175.9-76.2-67.3-171.5177.10114.8H29 Q30H29-K33 WeakPolarHBondContact O-CB 3.48Å; H29-K33 PolarHBondContact O-N 3.07Å; Q30-K33 PolarHBondContact O-N 3.36Å
34H95.1Very high95.6Very high3 Ų361 Ų611%0.01429%0.292CS..THydrogen-bonded Turntrans-112.3-47.9-171.9-62.9-60.5000111.5Y15 H29 Q30 K36 V65 P66 N67Y15-H34 HydrophobicContact CD2-CB 4.27Å; Y15-H34 HydrophobicContact CG-CB 4.41Å; H29-H34 AromaticContact NE2-CD2 3.94Å; H29-H34 AromaticContact NE2-NE2 3.65Å; Q30-H34 PolarHBondContact O-N 2.94Å; H34-K36 PolarHBondContact O-N 3.17Å; H34-V65 HydrophobicContact CB-CG1 3.74Å; H34-P66 PolarHBondContact ND1-O 3.05Å; H34-P66 VanDerWaalsContact ND1-O 3.17Å; H34-P66 WeakPolarHBondContact O-CD 3.21Å; H34-P66 WeakPolarHBondContact O-CG 3.29Å; H34-N67 PolarHBondContact CE1-O 2.93Å; H34-N67 VanDerWaalsContact CE1-O 3.29Å
35F96.1Very high95.5Very high0 Ų059.5 Ų59.50%028%0.282CS..SBendtrans-90.835.3179.6-48.7-39.1000113.1Y15 Q30 L44 Y45 G47 V65Y15-F35 AromaticContact CE2-CE1 3.78Å; Y15-F35 HydrophobicContact CE2-CE1 3.78Å; Y15-F35 HydrophobicContact CE2-CE2 4.5Å; Y15-F35 AromaticContact CE2-CZ 3.5Å; Y15-F35 HydrophobicContact CE2-CZ 3.5Å; Y15-F35 AromaticContact CZ-CE1 3.74Å; Y15-F35 AromaticContact CZ-CZ 3.78Å; Y15-F35 WeakPolarHBondContact OH-CZ 3.36Å; Q30-F35 HydrophobicContact CB-CD2 4.05Å; Q30-F35 HydrophobicContact CB-CE2 3.89Å; Q30-F35 PolarHBondContact O-N 3.5Å; F35-L44 HydrophobicContact CB-CB 4.33Å; F35-L44 WeakPolarHBondContact CB-O 3.23Å; F35-L44 PolarHBondContact O-N 2.87Å; F35-Y45 VanDerWaalsContact CD2-C 3.44Å; F35-Y45 WeakPolarHBondContact CD2-O 3.41Å; F35-Y45 WeakPolarHBondContact CE2-O 3.44Å; F35-G47 VanDerWaalsContact CE1-N 3.29Å; F35-V65 HydrophobicContact CD1-CG1 4.48Å; F35-V65 HydrophobicContact CE1-CG1 4.39Å
36K95.1Very high95.4Very high56 Ų5657 Ų5724%0.24327%0.271CS..BIsolated β-bridgetrans-104122176.6-179.9-164.9157.9-70.10109.5H34 H38 H41 K42H34-K36 PolarHBondContact O-N 3.17Å; K36-H38 PolarHBondContact O-N 2.82Å; K36-H41 PolarHBondContact NZ-CD2 3.4Å; K36-H41 PolarHBondContact NZ-NE2 3.07Å; K36-K42 WeakPolarHBondContact CA-O 3.39Å
37C95.6Very high95.3Very high0 Ų057 Ų570%027%0.271CS..  trans-55.4133169.8-175.80000110.9I39 C40 H41 K42 L50 C54C37-I39 VanDerWaalsContact C-N 3.27Å; C37-I39 PolarHBondContact SG-N 3.21Å; C37-C40 PolarHBondContact SG-N 2.98Å; C37-H41 VanDerWaalsContact O-CA 3.27Å; C37-H41 WeakPolarHBondContact O-CA 3.43Å; C37-H41 PolarHBondContact O-CD2 2.87Å; C37-H41 PolarHBondContact O-N 3.19Å; C37-K42 PolarHBondContact N-O 3.4Å; C37-L50 HydrophobicContact CB-CD1 4.26Å; C37-C54 VanDerWaalsContact SG-SG 3.67Å
38H93.4Very high95.2Very high86 Ų8657.5 Ų57.540%0.39828%0.276SS..SBendtrans-73.2-22.4173.560.1-61.4000112.4K36 H41 E60K36-H38 PolarHBondContact O-N 2.82Å; H38-H41 PolarHBondContact O-CD2 3.19Å; H38-H41 PolarHBondContact O-NE2 3.38Å; H38-E60 IonicContact CD2-OE1 3.91Å; H38-E60 IonicContact CE1-OE1 3.3Å; H38-E60 PolarHBondContact CE1-OE1 2.8Å; H38-E60 VanDerWaalsContact CE1-OE1 3.3Å; H38-E60 IonicContact CE1-OE2 3.77Å; H38-E60 IonicContact NE2-OE1 2.72Å; H38-E60 PolarHBondContact NE2-OE1 2.92Å; H38-E60 IonicContact NE2-OE2 3.17Å; H38-E60 PolarHBondContact NE2-OE2 3.15Å
39I95.5Very high95.1Very high66 Ų6652.3 Ų52.334%0.33826%0.258SS..SBendtrans-89.5-76-173.5-43.6165.7000110.9C37 H41 H58 E60C37-I39 VanDerWaalsContact C-N 3.27Å; C37-I39 PolarHBondContact SG-N 3.21Å; I39-H41 PolarHBondContact O-N 3.28Å; I39-H58 HydrophobicContact CD1-CB 3.33Å; I39-H58 HydrophobicContact CG2-CB 4.49Å; I39-E60 HydrophobicContact CD1-CB 4.06Å; I39-E60 WeakPolarHBondContact CD1-OE2 3.42Å
40C96.8Very high95.1Very high58 Ų5851 Ų5139%0.39225%0.252SS..SBendtrans-88.85.518073.60000115.1C37 K42 H53 H58C37-C40 PolarHBondContact SG-N 2.98Å; C40-K42 PolarHBondContact O-N 2.89Å; C40-K42 VanDerWaalsContact SG-CB 3.55Å; C40-H53 VanDerWaalsContact SG-CE1 3.53Å; C40-H53 PolarHBondContact SG-NE2 3.31Å; C40-H58 WeakPolarHBondContact CB-NE2 3.29Å; C40-H58 PolarHBondContact SG-NE2 3Å
41H95Very high95.1Very high118 Ų11852 Ų5255%0.54626%0.26SS..  trans61.19178-69.9-164000116.1K36 C37 H38 I39K36-H41 PolarHBondContact NZ-CD2 3.4Å; K36-H41 PolarHBondContact NZ-NE2 3.07Å; C37-H41 VanDerWaalsContact O-CA 3.27Å; C37-H41 WeakPolarHBondContact O-CA 3.43Å; C37-H41 PolarHBondContact O-CD2 2.87Å; C37-H41 PolarHBondContact O-N 3.19Å; H38-H41 PolarHBondContact O-CD2 3.19Å; H38-H41 PolarHBondContact O-NE2 3.38Å; I39-H41 PolarHBondContact O-N 3.28Å
42K95.6Very high95.1Very high110 Ų11053.7 Ų53.748%0.47827%0.27SS..  trans-58.5139.2172.5-170.4-174.8-63.6-69.50110.7K36 C37 C40 L44K36-K42 WeakPolarHBondContact CA-O 3.39Å; C37-K42 PolarHBondContact N-O 3.4Å; C40-K42 PolarHBondContact O-N 2.89Å; C40-K42 VanDerWaalsContact SG-CB 3.55Å; K42-L44 HydrophobicContact CB-CD2 4.19Å; K42-L44 HydrophobicContact CD-CD1 4.25Å; K42-L44 HydrophobicContact CD-CD2 4.19Å; K42-L44 HydrophobicContact CG-CD2 4.01Å; K42-L44 WeakPolarHBondContact O-CD2 3.19Å
43K96Very high95.2Very high124 Ų12452.4 Ų52.454%0.53926%0.257SS..BIsolated β-bridgetrans-100.4118.9177-60.9-179.9-175.4174.20109.7K31K31-K43 WeakPolarHBondContact O-CB 3.36Å; K31-K43 WeakPolarHBondContact O-CG 3.29Å
44L95.1Very high95.3Very high30 Ų3046.3 Ų46.316%0.15723%0.231CC..  trans-101.1176.8178.7-69.5-56.8000109.2K31 F35 K42 L50 H53K31-L44 WeakPolarHBondContact CG-O 3.37Å; F35-L44 HydrophobicContact CB-CB 4.33Å; F35-L44 WeakPolarHBondContact CB-O 3.23Å; F35-L44 PolarHBondContact O-N 2.87Å; K42-L44 HydrophobicContact CB-CD2 4.19Å; K42-L44 HydrophobicContact CD-CD1 4.25Å; K42-L44 HydrophobicContact CD-CD2 4.19Å; K42-L44 HydrophobicContact CG-CD2 4.01Å; K42-L44 WeakPolarHBondContact O-CD2 3.19Å; L44-L50 HydrophobicContact CD2-CD1 4.23Å; L44-H53 HydrophobicContact CD1-CB 4.19Å; L44-H53 HydrophobicContact CD2-CB 4.22Å; L44-H53 HydrophobicContact CG-CB 4.11Å
45Y93.8Very high95.3Very high132 Ų13251.1 Ų51.152%0.51825%0.254SS..SBendtrans-106.4-25.3-173-74.5-90.8000115K31 F35 Y80K31-Y45 HydrophobicContact CD-CD1 3.68Å; K31-Y45 HydrophobicContact CD-CE1 3.66Å; K31-Y45 HydrophobicContact CD-CG 4.44Å; K31-Y45 HydrophobicContact CG-CD1 4.31Å; K31-Y45 PolarHBondContact NZ-OH 3.39Å; F35-Y45 VanDerWaalsContact CD2-C 3.44Å; F35-Y45 WeakPolarHBondContact CD2-O 3.41Å; F35-Y45 WeakPolarHBondContact CE2-O 3.44Å; Y45-Y80 HydrophobicContact CD1-CE2 4.19Å
46T94.6Very high95.4Very high23 Ų2357.8 Ų57.814%0.14129%0.285CS..SBendtrans-138.6165.9-17963.60000110.9G49 L50 E78T46-G49 PolarHBondContact O-N 2.84Å; T46-G49 PolarHBondContact OG1-N 3.39Å; T46-L50 PolarHBondContact O-N 2.9Å; T46-L50 VanDerWaalsContact O-N 3.16Å; T46-E78 WeakPolarHBondContact CB-OE1 3.49Å; T46-E78 WeakPolarHBondContact CG2-OE1 3.47Å; T46-E78 PolarHBondContact OG1-OE1 3.02Å
47G93.3Very high95.5Very high0 Ų059.3 Ų59.30%030%0.299CS..Hα-helixtrans-56.1-55.717500000113.1F35 G49 L50 A51 I75F35-G47 VanDerWaalsContact CE1-N 3.29Å; G47-G49 VanDerWaalsContact C-N 3.26Å; G47-G49 PolarHBondContact O-N 3.06Å; G47-L50 WeakPolarHBondContact O-CB 3.22Å; G47-L50 PolarHBondContact O-N 3.26Å; G47-A51 PolarHBondContact O-N 3.33Å; G47-A51 VanDerWaalsContact O-N 3.15Å; G47-I75 CarbonylContact C-O 3.35Å; G47-I75 VanDerWaalsContact C-O 3.31Å; G47-I75 VanDerWaalsContact O-CG1 3.29Å; G47-I75 WeakPolarHBondContact O-CG1 3.43Å
48P94.2Very high95.5Very high31 Ų3162 Ų6220%0.20131%0.312CS..Hα-helixtrans-60.5-36.8178.6-26.837000112.3L50 A51 I52 I75 E78P48-L50 VanDerWaalsContact C-N 3.26Å; P48-L50 PolarHBondContact O-N 2.86Å; P48-A51 PolarHBondContact O-N 3.17Å; P48-I52 HydrophobicContact CB-CD1 4.5Å; P48-I52 WeakPolarHBondContact O-CB 3.07Å; P48-I52 WeakPolarHBondContact O-CD1 3.19Å; P48-I52 VanDerWaalsContact O-CG1 3.23Å; P48-I52 WeakPolarHBondContact O-CG1 3.19Å; P48-I52 PolarHBondContact O-N 3Å; P48-I75 WeakPolarHBondContact CD-O 3.34Å; P48-I75 VanDerWaalsContact CG-O 3.27Å; P48-I75 WeakPolarHBondContact CG-O 3.25Å; P48-I75 VanDerWaalsContact N-O 3.1Å; P48-E78 HydrophobicContact CG-CG 3.73Å
49G94.9Very high95.7Very high23 Ų2367 Ų6724%0.23733%0.332CS..Hα-helixtrans-59.8-32.7174.200000113.9T46 G47 H53T46-G49 PolarHBondContact O-N 2.84Å; T46-G49 PolarHBondContact OG1-N 3.39Å; G47-G49 VanDerWaalsContact C-N 3.26Å; G47-G49 PolarHBondContact O-N 3.06Å; G49-H53 WeakPolarHBondContact O-CB 3.36Å; G49-H53 PolarHBondContact O-N 3.3Å
50L95.4Very high95.6Very high0 Ų067.9 Ų67.90%034%0.335CS..Hα-helixtrans-71.6-48.3172.317967.8000111.8C37 L44 T46 G47 P48 H53 C54 P66C37-L50 HydrophobicContact CB-CD1 4.26Å; L44-L50 HydrophobicContact CD2-CD1 4.23Å; T46-L50 PolarHBondContact O-N 2.9Å; T46-L50 VanDerWaalsContact O-N 3.16Å; G47-L50 WeakPolarHBondContact O-CB 3.22Å; G47-L50 PolarHBondContact O-N 3.26Å; P48-L50 VanDerWaalsContact C-N 3.26Å; P48-L50 PolarHBondContact O-N 2.86Å; L50-H53 PolarHBondContact O-N 2.85Å; L50-C54 PolarHBondContact O-N 2.96Å; L50-C54 PolarHBondContact O-SG 2.83Å; L50-P66 HydrophobicContact CD2-CG 4.14Å
51A95.8Very high95.3Very high21 Ų2169.5 Ų69.517%0.17434%0.343CS..Hα-helixtrans-59.5-50.9-179.900000111.6G47 P48 H53 C54 M55 I75G47-A51 PolarHBondContact O-N 3.33Å; G47-A51 VanDerWaalsContact O-N 3.15Å; P48-A51 PolarHBondContact O-N 3.17Å; A51-H53 VanDerWaalsContact C-N 3.32Å; A51-H53 PolarHBondContact O-N 3.39Å; A51-C54 PolarHBondContact O-N 3.4Å; A51-M55 WeakPolarHBondContact O-CB 3.4Å; A51-M55 PolarHBondContact O-N 3.03Å; A51-I75 HydrophobicContact CB-CD1 3.85Å; A51-I75 HydrophobicContact CB-CG1 4.1Å
52I96.3Very high95.2Very high79 Ų7965.1 Ų65.141%0.40532%0.323SS..Hα-helixtrans-58.7-43.9177.5-66.3165.9000110.6P48 C54 M55 Q56P48-I52 HydrophobicContact CB-CD1 4.5Å; P48-I52 WeakPolarHBondContact O-CB 3.07Å; P48-I52 WeakPolarHBondContact O-CD1 3.19Å; P48-I52 VanDerWaalsContact O-CG1 3.23Å; P48-I52 WeakPolarHBondContact O-CG1 3.19Å; P48-I52 PolarHBondContact O-N 3Å; I52-C54 PolarHBondContact O-N 2.86Å; I52-M55 PolarHBondContact O-N 2.92Å; I52-Q56 HydrophobicContact CG2-CG 4.17Å; I52-Q56 VanDerWaalsContact O-CB 3.27Å; I52-Q56 WeakPolarHBondContact O-CB 3.27Å; I52-Q56 VanDerWaalsContact O-CG 3.27Å; I52-Q56 WeakPolarHBondContact O-CG 3.33Å; I52-Q56 PolarHBondContact O-N 3.15Å
53H97Very high94.8Very high13 Ų1366.1 Ų66.16%0.0633%0.334CS..Hα-helixtrans-60.5-45.6177.8165.849.7000112.6C40 L44 G49 L50 A51 V57 H58C40-H53 VanDerWaalsContact SG-CE1 3.53Å; C40-H53 PolarHBondContact SG-NE2 3.31Å; L44-H53 HydrophobicContact CD1-CB 4.19Å; L44-H53 HydrophobicContact CD2-CB 4.22Å; L44-H53 HydrophobicContact CG-CB 4.11Å; G49-H53 WeakPolarHBondContact O-CB 3.36Å; G49-H53 PolarHBondContact O-N 3.3Å; L50-H53 PolarHBondContact O-N 2.85Å; A51-H53 VanDerWaalsContact C-N 3.32Å; A51-H53 PolarHBondContact O-N 3.39Å; H53-V57 VanDerWaalsContact ND1-CG2 3.35Å; H53-V57 WeakPolarHBondContact ND1-CG2 3.31Å; H53-V57 VanDerWaalsContact O-CB 3.29Å; H53-V57 WeakPolarHBondContact O-CB 3.16Å; H53-V57 WeakPolarHBondContact O-CG2 3.17Å; H53-V57 PolarHBondContact O-N 3.16Å; H53-H58 AromaticContact CE1-NE2 3.83Å; H53-H58 AromaticContact NE2-NE2 3.92Å
54C96.3Very high94.6Very high0 Ų063 Ų630%033%0.327CS..Hα-helixtrans-69.9-42-178.2-59.30000111.1C37 L50 A51 I52 Q56 H58 K59 E60 I62C37-C54 VanDerWaalsContact SG-SG 3.67Å; L50-C54 PolarHBondContact O-N 2.96Å; L50-C54 PolarHBondContact O-SG 2.83Å; A51-C54 PolarHBondContact O-N 3.4Å; I52-C54 PolarHBondContact O-N 2.86Å; C54-Q56 PolarHBondContact O-N 3.28Å; C54-H58 CarbonylContact O-C 3.31Å; C54-H58 WeakPolarHBondContact O-CA 3.43Å; C54-H58 WeakPolarHBondContact O-CB 3.36Å; C54-H58 PolarHBondContact O-N 3.25Å; C54-K59 PolarHBondContact O-N 3.43Å; C54-E60 CarbonylContact C-O 3.09Å; C54-E60 WeakPolarHBondContact CB-O 3.41Å; C54-E60 PolarHBondContact O-N 3.07Å; C54-I62 HydrophobicContact CB-CD1 3.8Å; C54-I62 HydrophobicContact CB-CG1 4.1Å; C54-I62 WeakPolarHBondContact SG-CD1 3.27Å
55M95.8Very high94.4Very high104 Ų10461.7 Ų61.751%0.51232%0.321SS..Hα-helixtrans-64.1-40.6176.7-176.5171.359.500112.4A51 I52 K59 E60 T61A51-M55 WeakPolarHBondContact O-CB 3.4Å; A51-M55 PolarHBondContact O-N 3.03Å; I52-M55 PolarHBondContact O-N 2.92Å; M55-K59 VanDerWaalsContact O-CA 3.3Å; M55-K59 WeakPolarHBondContact O-CA 3.37Å; M55-K59 PolarHBondContact O-N 3.3Å; M55-E60 WeakPolarHBondContact CA-O 3.32Å; M55-E60 PolarHBondContact N-O 3.25Å; M55-E60 VanDerWaalsContact N-O 3.08Å; M55-T61 HydrophobicContact SD-CG2 4.37Å
56Q97.4Very high93.8Very high140 Ų14057.3 Ų57.365%0.65431%0.309SS*.Hα-helixtrans-79.7-46.9-178.9-70.7179.3-8.900113.7I52 C54I52-Q56 HydrophobicContact CG2-CG 4.17Å; I52-Q56 VanDerWaalsContact O-CB 3.27Å; I52-Q56 WeakPolarHBondContact O-CB 3.27Å; I52-Q56 VanDerWaalsContact O-CG 3.27Å; I52-Q56 WeakPolarHBondContact O-CG 3.33Å; I52-Q56 PolarHBondContact O-N 3.15Å; C54-Q56 PolarHBondContact O-N 3.28Å
57V97.4Very high93.3Very high87 Ų8762.7 Ų62.753%0.52734%0.336SS..Hα-helixtrans-88-28.5-171.2-176.20000112.1H53H53-V57 VanDerWaalsContact ND1-CG2 3.35Å; H53-V57 WeakPolarHBondContact ND1-CG2 3.31Å; H53-V57 VanDerWaalsContact O-CB 3.29Å; H53-V57 WeakPolarHBondContact O-CB 3.16Å; H53-V57 WeakPolarHBondContact O-CG2 3.17Å; H53-V57 PolarHBondContact O-N 3.16Å
58H97.1Very high93.2Very high57 Ų5763.6 Ų63.626%0.26434%0.344SS..THydrogen-bonded Turntrans-121.8-7.6-174.4-59.8-59.5000114.5I39 C40 H53 C54 E60I39-H58 HydrophobicContact CD1-CB 3.33Å; I39-H58 HydrophobicContact CG2-CB 4.49Å; C40-H58 WeakPolarHBondContact CB-NE2 3.29Å; C40-H58 PolarHBondContact SG-NE2 3Å; H53-H58 AromaticContact CE1-NE2 3.83Å; H53-H58 AromaticContact NE2-NE2 3.92Å; C54-H58 CarbonylContact O-C 3.31Å; C54-H58 WeakPolarHBondContact O-CA 3.43Å; C54-H58 WeakPolarHBondContact O-CB 3.36Å; C54-H58 PolarHBondContact O-N 3.25Å; H58-E60 PolarHBondContact O-N 2.8Å
59K97.1Very high93Very high190 Ų19065 Ų6583%0.82635%0.349SS*.  trans61.726-177.4-53.2170.3178.2-67.30113.2C54 M55C54-K59 PolarHBondContact O-N 3.43Å; M55-K59 VanDerWaalsContact O-CA 3.3Å; M55-K59 WeakPolarHBondContact O-CA 3.37Å; M55-K59 PolarHBondContact O-N 3.3Å
60E93Very high92.6Very high85 Ų8569.5 Ų69.540%0.39737%0.374SS..  trans-114.4125.4178.3-168.4180151.300109.9H38 I39 C54 M55 H58H38-E60 IonicContact CD2-OE1 3.91Å; H38-E60 IonicContact CE1-OE1 3.3Å; H38-E60 PolarHBondContact CE1-OE1 2.8Å; H38-E60 VanDerWaalsContact CE1-OE1 3.3Å; H38-E60 IonicContact CE1-OE2 3.77Å; H38-E60 IonicContact NE2-OE1 2.72Å; H38-E60 PolarHBondContact NE2-OE1 2.92Å; H38-E60 IonicContact NE2-OE2 3.17Å; H38-E60 PolarHBondContact NE2-OE2 3.15Å; I39-E60 HydrophobicContact CD1-CB 4.06Å; I39-E60 WeakPolarHBondContact CD1-OE2 3.42Å; C54-E60 CarbonylContact C-O 3.09Å; C54-E60 WeakPolarHBondContact CB-O 3.41Å; C54-E60 PolarHBondContact O-N 3.07Å; M55-E60 WeakPolarHBondContact CA-O 3.32Å; M55-E60 PolarHBondContact N-O 3.25Å; M55-E60 VanDerWaalsContact N-O 3.08Å; H58-E60 PolarHBondContact O-N 2.8Å
61T91Very high92.1Very high92 Ų9273.1 Ų73.156%0.56441%0.412SS*.  trans-81.9139.5174.947.80000110.5M55M55-T61 HydrophobicContact SD-CG2 4.37Å
62I91.3Very high91.7Very high26 Ų2673.5 Ų73.513%0.13341%0.409CS..  trans-127.2113.2173.8-57.4-179.3000107.9C54 S64 I75C54-I62 HydrophobicContact CB-CD1 3.8Å; C54-I62 HydrophobicContact CB-CG1 4.1Å; C54-I62 WeakPolarHBondContact SG-CD1 3.27Å; I62-S64 WeakPolarHBondContact CG2-O 3.46Å; I62-I75 HydrophobicContact CB-CD1 4.41Å; I62-I75 HydrophobicContact CG2-CD1 3.96Å
63D88.3Confident91.4Very high132 Ų13271.7 Ų71.771%0.70640%0.401SS*.  trans-95.56.8-178.9-48.2-85.8000112.9
64S91Very high91Very high57 Ų5774.3 Ų74.340%0.39942%0.416SS..SBendtrans-159.3136.9-179.6-85.20000113.3I62 T73I62-S64 WeakPolarHBondContact CG2-O 3.46Å; S64-T73 CarbonylContact C-O 3.41Å; S64-T73 WeakPolarHBondContact CA-O 3.39Å; S64-T73 PolarHBondContact OG-OG1 3.17Å
65V90.8Very high90.7Very high4 Ų475.1 Ų75.12%0.02442%0.42CS..  trans-65124.5-179.7177.80000110.9Y15 H34 F35 A68 T73 I75Y15-V65 HydrophobicContact CD1-CB 4.15Å; Y15-V65 HydrophobicContact CD1-CG1 3.87Å; Y15-V65 HydrophobicContact CD1-CG2 4.47Å; Y15-V65 HydrophobicContact CE1-CB 4Å; Y15-V65 HydrophobicContact CE1-CG1 3.93Å; Y15-V65 HydrophobicContact CE1-CG2 3.81Å; Y15-V65 HydrophobicContact CG-CG1 4.41Å; H34-V65 HydrophobicContact CB-CG1 3.74Å; F35-V65 HydrophobicContact CD1-CG1 4.48Å; F35-V65 HydrophobicContact CE1-CG1 4.39Å; V65-A68 HydrophobicContact CB-CB 4.4Å; V65-A68 HydrophobicContact CG1-CB 4.42Å; V65-A68 WeakPolarHBondContact O-CB 3.39Å; V65-T73 PolarHBondContact N-O 2.71Å; V65-I75 HydrophobicContact CG2-CB 3.99Å; V65-I75 HydrophobicContact CG2-CD1 4.13Å; V65-I75 HydrophobicContact CG2-CG1 3.87Å
66P82.5Confident90.4Very high40 Ų4078 Ų7826%0.2643%0.432SS..THydrogen-bonded Turntrans-67.1151.9-177.926.9-34.3000112.5H34 L50 A68H34-P66 PolarHBondContact ND1-O 3.05Å; H34-P66 VanDerWaalsContact ND1-O 3.17Å; H34-P66 WeakPolarHBondContact O-CD 3.21Å; H34-P66 WeakPolarHBondContact O-CG 3.29Å; L50-P66 HydrophobicContact CD2-CG 4.14Å; P66-A68 PolarHBondContact O-N 2.84Å
67N84.6Confident90Very high135 Ų13573.7 Ų73.772%0.72241%0.413SS*.THydrogen-bonded Turntrans58.314.3-179.4-64.989.5000115.4H34H34-N67 PolarHBondContact CE1-O 2.93Å; H34-N67 VanDerWaalsContact CE1-O 3.29Å
68A90.4Very high89.7Confident20 Ų2075.2 Ų75.217%0.16542%0.415CS..PPolyproline II helixtrans-84.1159.7174.200000113Y15 V65 P66 R72 T73Y15-A68 HydrophobicContact CD1-CB 3.87Å; Y15-A68 HydrophobicContact CG-CB 4.34Å; Y15-A68 CarbonylContact O-C 3.5Å; Y15-A68 VanDerWaalsContact O-CA 3.29Å; Y15-A68 WeakPolarHBondContact O-CA 3.49Å; V65-A68 HydrophobicContact CB-CB 4.4Å; V65-A68 HydrophobicContact CG1-CB 4.42Å; V65-A68 WeakPolarHBondContact O-CB 3.39Å; P66-A68 PolarHBondContact O-N 2.84Å; A68-R72 WeakPolarHBondContact CB-O 3.38Å; A68-T73 HydrophobicContact CB-CG2 4.14Å
69I90.3Very high89.5Confident60 Ų6072.5 Ų72.531%0.30840%0.402SS..PPolyproline II helixtrans-68.2135.2173.9-68.4164.3000109.3Y15 N17 G71 R72Y15-I69 WeakPolarHBondContact O-CG1 3.39Å; Y15-I69 PolarHBondContact O-N 2.95Å; N17-I69 HydrophobicContact CB-CD1 4.01Å; N17-I69 WeakPolarHBondContact OD1-CD1 3.4Å; I69-G71 PolarHBondContact O-N 3.23Å; I69-R72 CarbonylContact O-C 3.55Å; I69-R72 WeakPolarHBondContact O-CA 3.44Å; I69-R72 PolarHBondContact O-N 2.91Å
70P85.9Confident89.3Confident117 Ų11768 Ų6876%0.7638%0.381SS*.THydrogen-bonded Turntrans-57.5133.917724-34.8000111.4R72P70-R72 VanDerWaalsContact C-N 3.28Å
71G84.4Confident89.3Confident76 Ų7664 Ų6478%0.78436%0.362SS*.THydrogen-bonded Turntrans85.1-8.1-170.600000114.7I69I69-G71 PolarHBondContact O-N 3.23Å
72R87.3Confident89.3Confident30 Ų3061.7 Ų61.711%0.11335%0.345CS..  trans-124.437166.7-67.4-169.9174134.48111W14 Y15 N17 A68 I69 P70 D89 E92W14-R72 HydrophobicContact CD2-CB 4.14Å; W14-R72 HydrophobicContact CD2-CG 4.23Å; W14-R72 HydrophobicContact CE3-CB 3.93Å; W14-R72 HydrophobicContact CE3-CG 4.5Å; W14-R72 HydrophobicContact CH2-CB 3.71Å; W14-R72 HydrophobicContact CH2-CG 4Å; W14-R72 HydrophobicContact CZ2-CB 3.9Å; W14-R72 HydrophobicContact CZ2-CG 3.65Å; W14-R72 HydrophobicContact CZ3-CB 3.72Å; W14-R72 HydrophobicContact CZ3-CG 4.4Å; W14-R72 WeakPolarHBondContact CZ3-O 3.19Å; W14-R72 WeakPolarHBondContact O-CD 3.39Å; Y15-R72 WeakPolarHBondContact CD1-O 3.2Å; N17-R72 PolarHBondContact OD1-NH1 2.66Å; A68-R72 WeakPolarHBondContact CB-O 3.38Å; I69-R72 CarbonylContact O-C 3.55Å; I69-R72 WeakPolarHBondContact O-CA 3.44Å; I69-R72 PolarHBondContact O-N 2.91Å; P70-R72 VanDerWaalsContact C-N 3.28Å; R72-D89 IonicContact CZ-OD1 3.34Å; R72-D89 IonicContact NE-OD1 3.25Å; R72-D89 PolarHBondContact NE-OD1 2.77Å; R72-D89 IonicContact NH2-OD1 2.77Å; R72-D89 PolarHBondContact NH2-OD1 2.66Å; R72-E92 IonicContact CZ-OE2 3.89Å; R72-E92 IonicContact NH2-OE2 2.71Å; R72-E92 PolarHBondContact NH2-OE2 3.31Å
73T91.4Very high89.3Confident40 Ų4067.3 Ų67.325%0.24537%0.371CS..  trans-96.6-4.6179.254.30000113.6S64 V65 A68 I75S64-T73 CarbonylContact C-O 3.41Å; S64-T73 WeakPolarHBondContact CA-O 3.39Å; S64-T73 PolarHBondContact OG-OG1 3.17Å; V65-T73 PolarHBondContact N-O 2.71Å; A68-T73 HydrophobicContact CB-CG2 4.14Å; T73-I75 PolarHBondContact O-N 2.91Å
74D88.6Confident89.4Confident69 Ų6963.1 Ų63.137%0.36936%0.358SS..  trans-52.4130.8-175.6-166.8-21.7000111.8W14 E76 L77W14-D74 HydrophobicContact CH2-CB 4.34Å; D74-E76 PolarHBondContact OD1-N 3.01Å; D74-L77 HydrophobicContact CB-CD1 4.01Å; D74-L77 HydrophobicContact CB-CG 4.19Å
75I89.3Confident89.4Confident16 Ų1660.8 Ų60.88%0.08234%0.341CS..SBendtrans-104.9-9.5-175.3-159.2154.1000113G47 P48 A51 I62 V65 T73G47-I75 CarbonylContact C-O 3.35Å; G47-I75 VanDerWaalsContact C-O 3.31Å; G47-I75 VanDerWaalsContact O-CG1 3.29Å; G47-I75 WeakPolarHBondContact O-CG1 3.43Å; P48-I75 WeakPolarHBondContact CD-O 3.34Å; P48-I75 VanDerWaalsContact CG-O 3.27Å; P48-I75 WeakPolarHBondContact CG-O 3.25Å; P48-I75 VanDerWaalsContact N-O 3.1Å; A51-I75 HydrophobicContact CB-CD1 3.85Å; A51-I75 HydrophobicContact CB-CG1 4.1Å; I62-I75 HydrophobicContact CB-CD1 4.41Å; I62-I75 HydrophobicContact CG2-CD1 3.96Å; V65-I75 HydrophobicContact CG2-CB 3.99Å; V65-I75 HydrophobicContact CG2-CD1 4.13Å; V65-I75 HydrophobicContact CG2-CG1 3.87Å; T73-I75 PolarHBondContact O-N 2.91Å
76E88.6Confident89.4Confident165 Ų16562.6 Ų62.677%0.77135%0.353SS*.SBendtrans-80-24.7173.5-60.2-163.4146.900111.9D74 E78D74-E76 PolarHBondContact OD1-N 3.01Å; E76-E78 PolarHBondContact O-N 2.8Å
77L90.3Very high89.7Confident49 Ų4965.8 Ų65.826%0.25737%0.365SS..  trans-70.7111178.3-62.2178.9000112.3W14 D74 I79 P86W14-L77 HydrophobicContact CH2-CD1 3.59Å; W14-L77 HydrophobicContact CZ2-CD1 3.9Å; W14-L77 HydrophobicContact CZ3-CD1 4.28Å; D74-L77 HydrophobicContact CB-CD1 4.01Å; D74-L77 HydrophobicContact CB-CG 4.19Å; L77-I79 VanDerWaalsContact C-N 3.25Å; L77-I79 HydrophobicContact CB-CD1 4.28Å; L77-I79 HydrophobicContact CB-CG1 4.16Å; L77-I79 PolarHBondContact O-N 3.35Å; L77-P86 HydrophobicContact CD1-CG 4.15Å
78E90.6Very high89.9Confident119 Ų11968.1 Ų68.156%0.55637%0.368SS*.  trans-75.671.3172.3-67-141.999.800112.5T46 P48 E76T46-E78 WeakPolarHBondContact CB-OE1 3.49Å; T46-E78 WeakPolarHBondContact CG2-OE1 3.47Å; T46-E78 PolarHBondContact OG1-OE1 3.02Å; P48-E78 HydrophobicContact CG-CG 3.73Å; E76-E78 PolarHBondContact O-N 2.8Å
79I92.8Very high89.9Confident0 Ų068.5 Ų68.50%037%0.368CS..  trans-82.1118.2174-61.5173.9000110W14 Y15 L77 E83 I85W14-I79 HydrophobicContact CB-CD1 3.94Å; W14-I79 HydrophobicContact CD2-CD1 3.38Å; W14-I79 HydrophobicContact CE3-CD1 3.3Å; W14-I79 HydrophobicContact CG-CD1 3.71Å; W14-I79 HydrophobicContact CH2-CD1 4.44Å; W14-I79 HydrophobicContact CZ3-CD1 3.86Å; Y15-I79 HydrophobicContact CE2-CB 4.2Å; Y15-I79 HydrophobicContact CE2-CD1 4.46Å; Y15-I79 HydrophobicContact CE2-CG2 4.34Å; L77-I79 VanDerWaalsContact C-N 3.25Å; L77-I79 HydrophobicContact CB-CD1 4.28Å; L77-I79 HydrophobicContact CB-CG1 4.16Å; L77-I79 PolarHBondContact O-N 3.35Å; I79-E83 WeakPolarHBondContact CA-O 3.46Å; I79-I85 HydrophobicContact CD1-CG1 4.42Å; I79-I85 HydrophobicContact CG1-CG1 4.4Å; I79-I85 HydrophobicContact CG2-CD1 4.41Å; I79-I85 HydrophobicContact CG2-CG1 3.68Å
80Y92.9Very high89.8Confident97 Ų9767.7 Ų67.738%0.3836%0.363SS..BIsolated β-bridgetrans-129.1110.9178.2178.8-97.2000110.1I27 Y45 M82 E83I27-Y80 HydrophobicContact CD1-CD1 4.36Å; I27-Y80 HydrophobicContact CD1-CE1 3.71Å; I27-Y80 HydrophobicContact CD1-CE2 4.25Å; I27-Y80 HydrophobicContact CG1-CE1 4.43Å; I27-Y80 HydrophobicContact CG1-CE2 4.32Å; I27-Y80 HydrophobicContact CG2-CD2 4.5Å; I27-Y80 HydrophobicContact CG2-CE2 3.8Å; Y45-Y80 HydrophobicContact CD1-CE2 4.19Å; Y80-M82 PolarHBondContact O-N 3.04Å; Y80-E83 PolarHBondContact N-O 3.2Å; Y80-E83 WeakPolarHBondContact O-CA 3.49Å; Y80-E83 VanDerWaalsContact O-CB 3.32Å; Y80-E83 WeakPolarHBondContact O-CB 3.32Å; Y80-E83 PolarHBondContact O-N 3.28Å
81G93.1Very high90.1Very high0 Ų065.8 Ų65.80%034%0.344CS..THydrogen-bonded Turntrans63.8-121.9-170.900000110.1L26 Q30L26-G81 VanDerWaalsContact CD2-C 3.48Å; L26-G81 WeakPolarHBondContact CD2-O 3.27Å; Q30-G81 PolarHBondContact NE2-O 3.04Å
82M91.6Very high90.4Very high44 Ų4467 Ų6722%0.21733%0.33CS..THydrogen-bonded Turntrans-95-10.2166.2-73.1-157.868.300114.5P11 E23 L26 Y80 I85 M90P11-M82 HydrophobicContact CB-CG 4.11Å; P11-M82 HydrophobicContact CB-SD 4.05Å; E23-M82 PolarHBondContact OE1-N 3.38Å; L26-M82 HydrophobicContact CD2-CG 4Å; Y80-M82 PolarHBondContact O-N 3.04Å; M82-I85 HydrophobicContact CB-CD1 4.45Å; M82-I85 WeakPolarHBondContact O-CG1 3.47Å; M82-M90 HydrophobicContact CE-SD 4.15Å
83E91.4Very high90.4Very high144 Ų14466.4 Ų66.467%0.67333%0.327SS*.BIsolated β-bridgetrans-70.6149.9176.1-163.1168.7-174.400110.8I79 Y80 I85I79-E83 WeakPolarHBondContact CA-O 3.46Å; Y80-E83 PolarHBondContact N-O 3.2Å; Y80-E83 WeakPolarHBondContact O-CA 3.49Å; Y80-E83 VanDerWaalsContact O-CB 3.32Å; Y80-E83 WeakPolarHBondContact O-CB 3.32Å; Y80-E83 PolarHBondContact O-N 3.28Å; E83-I85 PolarHBondContact O-N 2.87Å
84G89.2Confident90.3Very high43 Ų4367.4 Ų67.444%0.44333%0.327SS..THydrogen-bonded Turntrans75.1-7.8-177.400000116
85I91.9Very high90.4Very high8 Ų872 Ų724%0.04134%0.339CS..  trans-66.7129174.5-59.2179.6000109.6W14 I79 M82 E83 E87 D89 M90W14-I85 HydrophobicContact CB-CD1 4.17Å; W14-I85 HydrophobicContact CB-CG1 4.24Å; W14-I85 HydrophobicContact CG-CG2 4.33Å; I79-I85 HydrophobicContact CD1-CG1 4.42Å; I79-I85 HydrophobicContact CG1-CG1 4.4Å; I79-I85 HydrophobicContact CG2-CD1 4.41Å; I79-I85 HydrophobicContact CG2-CG1 3.68Å; M82-I85 HydrophobicContact CB-CD1 4.45Å; M82-I85 WeakPolarHBondContact O-CG1 3.47Å; E83-I85 PolarHBondContact O-N 2.87Å; I85-E87 PolarHBondContact O-N 3.24Å; I85-D89 HydrophobicContact CG2-CB 4.16Å; I85-M90 HydrophobicContact CB-CG 3.94Å; I85-M90 HydrophobicContact CB-SD 4.16Å; I85-M90 HydrophobicContact CG2-CG 3.54Å; I85-M90 HydrophobicContact CG2-SD 4.41Å
86P90.3Very high90.4Very high42 Ų4274.3 Ų74.327%0.27335%0.353SS..  trans-55.7131.2176.6-26.935.3000112.8L77 K88 D89 M90L77-P86 HydrophobicContact CD1-CG 4.15Å; P86-K88 PolarHBondContact O-N 2.9Å; P86-D89 PolarHBondContact O-N 2.92Å; P86-M90 PolarHBondContact O-N 3.46Å
87E88.5Confident90.3Very high108 Ų10869.8 Ų69.851%0.50533%0.334SS..Hα-helixtrans-54.9-30.3-177-17068.5-158.800112.4I85 M90 Q91I85-E87 PolarHBondContact O-N 3.24Å; E87-M90 PolarHBondContact O-N 3Å; E87-M90 WeakPolarHBondContact OE2-CE 3.33Å; E87-Q91 WeakPolarHBondContact O-CB 3.45Å; E87-Q91 PolarHBondContact O-N 3.46Å; E87-Q91 PolarHBondContact OE1-NE2 2.83Å; E87-Q91 PolarHBondContact OE1-OE1 3.32Å
88K88.1Confident90.2Very high183 Ų18372.5 Ų72.580%0.79635%0.346SS*.Hα-helixtrans-59-47.9173.6-69.6-177.3179.11770112.3P86 Q91 E92P86-K88 PolarHBondContact O-N 2.9Å; K88-Q91 PolarHBondContact O-N 2.69Å; K88-E92 WeakPolarHBondContact O-CB 3.49Å; K88-E92 PolarHBondContact O-N 2.9Å
89D90.4Very high90.1Very high29 Ų2971.2 Ų71.216%0.15534%0.34CS..Hα-helixtrans-69.8-35.3177.8-67-60000111.8W14 R72 I85 P86 R93W14-D89 VanDerWaalsContact NE1-CG 3.27Å; W14-D89 PolarHBondContact NE1-OD2 3.17Å; R72-D89 IonicContact CZ-OD1 3.34Å; R72-D89 IonicContact NE-OD1 3.25Å; R72-D89 PolarHBondContact NE-OD1 2.77Å; R72-D89 IonicContact NH2-OD1 2.77Å; R72-D89 PolarHBondContact NH2-OD1 2.66Å; I85-D89 HydrophobicContact CG2-CB 4.16Å; P86-D89 PolarHBondContact O-N 2.92Å; D89-R93 WeakPolarHBondContact O-CB 3.42Å; D89-R93 PolarHBondContact O-N 3.16Å
90M89.8Confident89.8Confident43 Ų4377.9 Ų77.921%0.21237%0.369CS..Hα-helixtrans-65.4-38.8175.2-65.6-151.9-73.700112.1M82 I85 P86 E87 R94M82-M90 HydrophobicContact CE-SD 4.15Å; I85-M90 HydrophobicContact CB-CG 3.94Å; I85-M90 HydrophobicContact CB-SD 4.16Å; I85-M90 HydrophobicContact CG2-CG 3.54Å; I85-M90 HydrophobicContact CG2-SD 4.41Å; P86-M90 PolarHBondContact O-N 3.46Å; E87-M90 PolarHBondContact O-N 3Å; E87-M90 WeakPolarHBondContact OE2-CE 3.33Å; M90-R94 PolarHBondContact O-N 2.97Å; M90-R94 VanDerWaalsContact O-N 3.16Å
91Q90.6Very high89.5Confident76 Ų7675.7 Ų75.736%0.35537%0.368SS..Hα-helixtrans-71.8-43.5174.4-105.658.1-54.800112.3E87 K88 R93 R94 R95E87-Q91 WeakPolarHBondContact O-CB 3.45Å; E87-Q91 PolarHBondContact O-N 3.46Å; E87-Q91 PolarHBondContact OE1-NE2 2.83Å; E87-Q91 PolarHBondContact OE1-OE1 3.32Å; K88-Q91 PolarHBondContact O-N 2.69Å; Q91-R93 VanDerWaalsContact C-N 3.35Å; Q91-R93 PolarHBondContact O-N 3.46Å; Q91-R94 PolarHBondContact O-N 3.08Å; Q91-R95 PolarHBondContact O-N 3.32Å
92E90.8Very high89Confident103 Ų10381.8 Ų81.848%0.48140%0.396SS..Hα-helixtrans-53.4-53.7173.7-178.2-173-115.100109.9R72 K88 R94 R95 T96R72-E92 IonicContact CZ-OE2 3.89Å; R72-E92 IonicContact NH2-OE2 2.71Å; R72-E92 PolarHBondContact NH2-OE2 3.31Å; K88-E92 WeakPolarHBondContact O-CB 3.49Å; K88-E92 PolarHBondContact O-N 2.9Å; E92-R94 VanDerWaalsContact C-N 3.33Å; E92-R94 PolarHBondContact O-N 2.98Å; E92-R95 CarbonylContact O-C 3.57Å; E92-R95 WeakPolarHBondContact O-CA 3.47Å; E92-R95 WeakPolarHBondContact O-CB 2.99Å; E92-R95 PolarHBondContact O-N 3.34Å; E92-R95 VanDerWaalsContact O-N 3.08Å; E92-T96 PolarHBondContact O-N 2.87Å; E92-T96 PolarHBondContact O-OG1 3.36Å
93R88.7Confident88.6Confident17 Ų1786.4 Ų86.46%0.06442%0.417CS..Hα-helixtrans-64-37.2-177.7-15388.975.456.639.8113.3W12 D89 Q91 R95 T96 L97W12-R93 HydrophobicContact CZ2-CB 3.37Å; W12-R93 HydrophobicContact CZ2-CG 3.65Å; D89-R93 WeakPolarHBondContact O-CB 3.42Å; D89-R93 PolarHBondContact O-N 3.16Å; Q91-R93 VanDerWaalsContact C-N 3.35Å; Q91-R93 PolarHBondContact O-N 3.46Å; R93-R95 VanDerWaalsContact C-N 3.32Å; R93-T96 PolarHBondContact O-N 3.41Å; R93-L97 WeakPolarHBondContact O-CG 3.39Å; R93-L97 PolarHBondContact O-N 3.02Å
94R89.6Confident87.9Confident61 Ų6182.9 Ų82.923%0.2341%0.409CS..Hα-helixtrans-57.7-49.4173.2-169.3-174.8-56.8141.113.6109.9M9 M90 Q91 E92 T96 L97 E98M9-R94 HydrophobicContact CE-CB 4.16Å; M9-R94 HydrophobicContact SD-CB 4.42Å; M9-R94 HydrophobicContact SD-CG 4.18Å; M90-R94 PolarHBondContact O-N 2.97Å; M90-R94 VanDerWaalsContact O-N 3.16Å; Q91-R94 PolarHBondContact O-N 3.08Å; E92-R94 VanDerWaalsContact C-N 3.33Å; E92-R94 PolarHBondContact O-N 2.98Å; R94-T96 PolarHBondContact O-N 2.89Å; R94-L97 PolarHBondContact O-N 3.38Å; R94-E98 WeakPolarHBondContact O-CB 3.14Å; R94-E98 WeakPolarHBondContact O-CG 3.34Å; R94-E98 PolarHBondContact O-N 3.39Å
95R90.6Very high87.3Confident166 Ų16687.1 Ų87.163%0.62642%0.417SS*.Hα-helixtrans-60.3-43.6176.6-167.9177.3-172.2-1145.4112Q91 E92 R93 E98 Q99Q91-R95 PolarHBondContact O-N 3.32Å; E92-R95 CarbonylContact O-C 3.57Å; E92-R95 WeakPolarHBondContact O-CA 3.47Å; E92-R95 WeakPolarHBondContact O-CB 2.99Å; E92-R95 PolarHBondContact O-N 3.34Å; E92-R95 VanDerWaalsContact O-N 3.08Å; R93-R95 VanDerWaalsContact C-N 3.32Å; R95-E98 PolarHBondContact O-N 2.9Å; R95-Q99 WeakPolarHBondContact O-CB 3.43Å; R95-Q99 VanDerWaalsContact O-CG 3.23Å; R95-Q99 WeakPolarHBondContact O-CG 3.39Å; R95-Q99 PolarHBondContact O-N 3.32Å
96T88.9Confident86.7Confident63 Ų6393.6 Ų93.639%0.38744%0.444SS..Hα-helixtrans-62.4-44.1177.1-50.10000112.4E92 R93 R94 K100E92-T96 PolarHBondContact O-N 2.87Å; E92-T96 PolarHBondContact O-OG1 3.36Å; R93-T96 PolarHBondContact O-N 3.41Å; R94-T96 PolarHBondContact O-N 2.89Å; T96-K100 WeakPolarHBondContact O-CB 3.32Å; T96-K100 PolarHBondContact O-N 3.49Å
97L87.3Confident85.9Confident70 Ų7099.3 Ų99.337%0.36647%0.465SS..Hα-helixtrans-70.6-36177.5-66.4-166.8000112M9 R93 R94 S101M9-L97 HydrophobicContact CE-CD1 3.69Å; M9-L97 HydrophobicContact CE-CG 4.29Å; M9-L97 HydrophobicContact SD-CD1 4.27Å; R93-L97 WeakPolarHBondContact O-CG 3.39Å; R93-L97 PolarHBondContact O-N 3.02Å; R94-L97 PolarHBondContact O-N 3.38Å; L97-S101 VanDerWaalsContact O-CB 3.22Å; L97-S101 WeakPolarHBondContact O-CB 3.35Å; L97-S101 PolarHBondContact O-N 3.09Å
98E87.9Confident84.8Confident106 Ų106101.2 Ų101.250%0.49547%0.472SS..Hα-helixtrans-66.6-41.1174.3-73.8176.9142.800111.8R94 R95 S101 Q102R94-E98 WeakPolarHBondContact O-CB 3.14Å; R94-E98 WeakPolarHBondContact O-CG 3.34Å; R94-E98 PolarHBondContact O-N 3.39Å; R95-E98 PolarHBondContact O-N 2.9Å; E98-S101 PolarHBondContact O-N 3.32Å; E98-Q102 VanDerWaalsContact O-CG 3.28Å; E98-Q102 WeakPolarHBondContact O-CG 3.49Å; E98-Q102 PolarHBondContact O-N 2.92Å; E98-Q102 PolarHBondContact O-NE2 3.4Å
99Q87.4Confident83.5Confident93 Ų9395.6 Ų95.644%0.43546%0.456SS..Hα-helixtrans-62.8-51.3173-75.9171.2-30.700111.6R95 S101 Q102 E103R95-Q99 WeakPolarHBondContact O-CB 3.43Å; R95-Q99 VanDerWaalsContact O-CG 3.23Å; R95-Q99 WeakPolarHBondContact O-CG 3.39Å; R95-Q99 PolarHBondContact O-N 3.32Å; Q99-S101 VanDerWaalsContact C-N 3.26Å; Q99-S101 PolarHBondContact O-N 3.21Å; Q99-Q102 PolarHBondContact O-N 3.17Å; Q99-E103 PolarHBondContact O-N 3.06Å
100K86.3Confident82Confident140 Ų14099.8 Ų99.861%0.60948%0.478SS*.Hα-helixtrans-61.8-34.4178.6-169.4171.9-177.6176.40112.3T96 S104T96-K100 WeakPolarHBondContact O-CB 3.32Å; T96-K100 PolarHBondContact O-N 3.49Å; K100-S104 VanDerWaalsContact O-CB 3.32Å; K100-S104 WeakPolarHBondContact O-CB 3.34Å; K100-S104 PolarHBondContact O-N 3Å; K100-S104 VanDerWaalsContact O-N 3.09Å; K100-S104 PolarHBondContact O-OG 2.9Å
101S86.5Confident80.5Confident51 Ų51103.9 Ų103.936%0.35750%0.501SS..Hα-helixtrans-68.1-38.3173-174.20000112.6L97 E98 Q99 Q105L97-S101 VanDerWaalsContact O-CB 3.22Å; L97-S101 WeakPolarHBondContact O-CB 3.35Å; L97-S101 PolarHBondContact O-N 3.09Å; E98-S101 PolarHBondContact O-N 3.32Å; Q99-S101 VanDerWaalsContact C-N 3.26Å; Q99-S101 PolarHBondContact O-N 3.21Å; S101-Q105 WeakPolarHBondContact O-CG 3.22Å; S101-Q105 PolarHBondContact O-N 2.85Å; S101-Q105 VanDerWaalsContact O-N 3.17Å
102Q83.8Confident78.9Confident128 Ų128107.4 Ų107.460%0.59852%0.517SS*.Hα-helixtrans-71.1-43.7178.2-74.9170.849.700111.7E98 Q99 S104 Q105 K106E98-Q102 VanDerWaalsContact O-CG 3.28Å; E98-Q102 WeakPolarHBondContact O-CG 3.49Å; E98-Q102 PolarHBondContact O-N 2.92Å; E98-Q102 PolarHBondContact O-NE2 3.4Å; Q99-Q102 PolarHBondContact O-N 3.17Å; Q102-S104 PolarHBondContact O-N 3.48Å; Q102-Q105 PolarHBondContact O-N 3.4Å; Q102-K106 PolarHBondContact O-N 2.85Å
103E82.4Confident77Confident140 Ų140109.4 Ų109.465%0.65453%0.531SS*.Hα-helixtrans-60.4-45.7175.4-174.3178.191.200111.5Q99 Q105 K106 K107Q99-E103 PolarHBondContact O-N 3.06Å; E103-Q105 VanDerWaalsContact C-N 3.26Å; E103-Q105 PolarHBondContact O-N 2.89Å; E103-K106 PolarHBondContact O-N 3.31Å; E103-K107 WeakPolarHBondContact O-CB 3.28Å; E103-K107 PolarHBondContact O-N 3.38Å
104S77.7Confident75.1Confident71 Ų71116.3 Ų116.350%0.49757%0.569SS.*Hα-helixtrans-61.9-32.6176.9-57.30000112.9K100 Q102 K108K100-S104 VanDerWaalsContact O-CB 3.32Å; K100-S104 WeakPolarHBondContact O-CB 3.34Å; K100-S104 PolarHBondContact O-N 3Å; K100-S104 VanDerWaalsContact O-N 3.09Å; K100-S104 PolarHBondContact O-OG 2.9Å; Q102-S104 PolarHBondContact O-N 3.48Å; S104-K108 WeakPolarHBondContact O-CB 3.23Å; S104-K108 PolarHBondContact O-N 3.38Å
105Q75.6Confident72.9Confident132 Ų132119.1 Ų119.162%0.61760%0.598SS**Hα-helixtrans-77.7-44.7175.4-75.4-176.9-42.800112.1S101 Q102 E103 K107 K108 S109S101-Q105 WeakPolarHBondContact O-CG 3.22Å; S101-Q105 PolarHBondContact O-N 2.85Å; S101-Q105 VanDerWaalsContact O-N 3.17Å; Q102-Q105 PolarHBondContact O-N 3.4Å; E103-Q105 VanDerWaalsContact C-N 3.26Å; E103-Q105 PolarHBondContact O-N 2.89Å; Q105-K107 VanDerWaalsContact C-N 3.31Å; Q105-K107 PolarHBondContact O-N 3.31Å; Q105-K108 WeakPolarHBondContact O-CA 3.4Å; Q105-K108 WeakPolarHBondContact O-CB 3.37Å; Q105-K108 PolarHBondContact O-N 2.68Å; Q105-S109 PolarHBondContact O-N 3.17Å
106K79.6Confident71Confident143 Ų143118.9 Ų118.962%0.62261%0.61SS**Hα-helixtrans-62.5-38.7177.6-170.6177-179.8-176.20111.7Q102 E103 K108 S109 N110Q102-K106 PolarHBondContact O-N 2.85Å; E103-K106 PolarHBondContact O-N 3.31Å; K106-K108 PolarHBondContact O-N 3.21Å; K106-S109 PolarHBondContact O-N 2.83Å; K106-S109 PolarHBondContact O-OG 2.94Å; K106-S109 VanDerWaalsContact O-OG 3.1Å; K106-N110 WeakPolarHBondContact O-CB 3.32Å; K106-N110 PolarHBondContact O-N 3.1Å
107K73.3Confident68.9Low163 Ų163123.4 Ų123.471%0.70963%0.631SS**Hα-helixtrans-72.4-15.5175.1-164.2166.1-175172.20113.5E103 Q105E103-K107 WeakPolarHBondContact O-CB 3.28Å; E103-K107 PolarHBondContact O-N 3.38Å; Q105-K107 VanDerWaalsContact C-N 3.31Å; Q105-K107 PolarHBondContact O-N 3.31Å
108K66.8Low67Low148 Ų148127.3 Ų127.364%0.64365%0.653SS**Hα-helixtrans-84.4-36.8172.4-176.662.7175.8171.40111.9S104 Q105 K106S104-K108 WeakPolarHBondContact O-CB 3.23Å; S104-K108 PolarHBondContact O-N 3.38Å; Q105-K108 WeakPolarHBondContact O-CA 3.4Å; Q105-K108 WeakPolarHBondContact O-CB 3.37Å; Q105-K108 PolarHBondContact O-N 2.68Å; K106-K108 PolarHBondContact O-N 3.21Å
109S60.8Low64.9Low65 Ų65129.9 Ų129.946%0.45567%0.67SS.*Hα-helixtrans-77.9-42.8176.260.30000112.7Q105 K106 N111 Q112Q105-S109 PolarHBondContact O-N 3.17Å; K106-S109 PolarHBondContact O-N 2.83Å; K106-S109 PolarHBondContact O-OG 2.94Å; K106-S109 VanDerWaalsContact O-OG 3.1Å; S109-N111 PolarHBondContact O-N 3.04Å; S109-Q112 PolarHBondContact O-N 3.41Å; S109-Q112 VanDerWaalsContact O-N 3.17Å
110N58.9Low63.1Low117 Ų117133 Ų13363%0.62669%0.689SS**THydrogen-bonded Turntrans-72.622.6-179.3-148.6125.5000113.6K106K106-N110 WeakPolarHBondContact O-CB 3.32Å; K106-N110 PolarHBondContact O-N 3.1Å
111N57.3Low61.1Low129 Ų129133.7 Ų133.769%0.6970%0.7SS**THydrogen-bonded Turntrans-138.224.2177.9-153.1120.4000110.1S109S109-N111 PolarHBondContact O-N 3.04Å
112Q57.6Low59.3Low149 Ų149138.1 Ų138.170%0.69672%0.72SS**SBendtrans-132.110.4173.6-57.7-166.8-106.900111.8S109S109-Q112 PolarHBondContact O-N 3.41Å; S109-Q112 VanDerWaalsContact O-N 3.17Å
113D49.7Very low57.5Low145 Ų145140.5 Ų140.578%0.77573%0.731SS**SBendtrans-11623.7-174.4-97.2-113000110.8
114D48.5Very low55.6Low162 Ų162137.8 Ų137.887%0.86673%0.732SS**SBendtrans-140.555.1-171.4-144.5-48.9000108.7
115S45.3Very low53.7Low120 Ų120137.9 Ų137.984%0.83974%0.744SS**  trans-16755.6-178.3-179.40000109
116D49.3Very low52.5Low162 Ų162137.2 Ų137.287%0.86675%0.752SS**  trans-119.7102.2179.5-169.135.7000107.5
117D44.9Very low50.6Low157 Ų157136 Ų13684%0.8476%0.761SS**  trans-158.5135.2170.3-152.1-115.6000105.9
118D48.1Very low48.9Very low153 Ų153133.6 Ų133.682%0.81876%0.76SS**  trans-61.1144.9-155.6-56.6-123.5000117.1
119D43.1Very low47.5Very low160 Ų160134.1 Ų134.186%0.85676%0.764SS**  -164.9137.6108.8-144.4-145.4000110.5
120D49.8Very low46.5Very low158 Ų158138 Ų13885%0.84578%0.775SS**  trans-139.5101.1-178.5-167.5-20.1000109.7
121D45Very low45.2Very low155 Ų155138.9 Ų138.983%0.82979%0.785SS**  trans-151.1165.9170.8-151.7-82.8000111.3
122D48.9Very low44.1Very low144 Ų144136.7 Ų136.777%0.7778%0.784SS**  trans-103.4134-153.4-145-55.6000112.7
123E44.5Very low43.1Very low178 Ų178134.1 Ų134.183%0.83279%0.789SS**  trans-171.9160.4151.2-113.2-77.463.100114.7
124A42.6Very low42.4Very low82 Ų82134.2 Ų134.268%0.67879%0.794SS**  trans-113.277.1-161.100000116.2
125G37.8Very low41.9Very low74 Ų74134.9 Ų134.976%0.76379%0.792SS**  trans70.3-14916700000114.5
126P51.5Low42.2Very low118 Ų118133.3 Ų133.377%0.76678%0.779SS**  cis-134.9160.7-17.340.1-25000115.4
127S38.5Very low41.5Very low116 Ų116134.8 Ų134.881%0.81178%0.781SS**  trans68.8-174.6154.1-155.80000118.9
128V38.9Very low41.4Very low114 Ų114131.6 Ų131.669%0.69178%0.777SS**  trans70.4108.6176.2-159.50000112.7
129Q37.5Very low40.7Very low159 Ų159128.1 Ų128.174%0.74378%0.776SS**  58.1143.875.5-62.6-173.59.300112.8
130Q38Very low40.2Very low146 Ų146130.7 Ų130.768%0.68278%0.776SS**  cis-166.6163.75.2-128.6-178.622.700109.6
131V33.3Very low39.5Very low135 Ų135130 Ų13082%0.81878%0.777SS**  trans52.5-172155.6-54.10000119
132A34Very low39.4Very low83 Ų83127 Ų12769%0.68677%0.773SS**  -160.5155.5-78.200000113.1
133A35.7Very low39.8Very low95 Ų95125.5 Ų125.579%0.78577%0.772SS**  trans70.4172.6147.600000120.8
134V35.4Very low39.5Very low147 Ų147125.4 Ų125.489%0.89177%0.773SS**  trans81.1146.1171.7-167.40000116.3
135Q36.9Very low39.2Very low176 Ų176127.9 Ų127.982%0.82278%0.78SS**  trans-135.3-159.6-165-157.7-156.929.200109.4
136P52.9Low39.1Very low88 Ų88132.9 Ų132.957%0.57178%0.784SS**  -92170.4-114.639.2-26.2000115.3
137Q34.5Very low39.1Very low192 Ų192132.2 Ų132.290%0.89778%0.779SS**  trans-135.4153.5150.6-77.2-61.3-77.400110.2
138A41.8Very low38.8Very low91 Ų91130.1 Ų130.175%0.75278%0.775SS**  trans-109.3141.7175.500000110.2
139G33.3Very low38.8Very low79 Ų79133.2 Ų133.281%0.81479%0.785SS**  trans-141.6132.8-176.800000111.6
140Y33.4Very low39.9Very low215 Ų215131.2 Ų131.284%0.84379%0.786SS**  trans-92.7173.4-169.3-74.1-106.8000113.5
141V34.6Very low40.8Very low144 Ų144129.2 Ų129.287%0.87379%0.785SS**  trans66127.4158.8-67.20000121.3
142A42.4Very low41.4Very low90 Ų90129.7 Ų129.774%0.74479%0.788SS**  trans-98.8170.7148.600000108.6
143P58.9Low41.4Very low114 Ų114130.4 Ų130.474%0.7479%0.794SS**  -152.5-1486942.7-21000113.7
144M38.5Very low41.4Very low176 Ų176129.8 Ų129.887%0.86780%0.797SS**  trans86.8137.4169.792-158.2156.400117
145T35.9Very low41.3Very low133 Ų133127.4 Ų127.482%0.81679%0.793SS**  cis-137.1169.610.745.80000115
146Q35.7Very low41.7Very low180 Ų180125.4 Ų125.484%0.84180%0.795SS**  trans-122.1-171.4162.3-121.6-153.627.600108.1
147P50.5Low40.9Very low104 Ų104124.9 Ų124.968%0.67581%0.806SS**  cis-129.2-171.2241.6-23.5000114.8
148G32.6Very low41.4Very low71 Ų71124.2 Ų124.273%0.73281%0.805SS**  trans-155.4-9.7-175.400000122.5
149M39.8Very low42.1Very low180 Ų180124.9 Ų124.989%0.88780%0.801SS**  trans69.3159.2167.4-51.2-167.6-16900120.8
150P58.8Low43.1Very low117 Ų117126.7 Ų126.776%0.7680%0.798SS**  trans-126-154.1-166.844.4-25.1000112.3
151P57Low43.6Very low104 Ų104121.1 Ų121.168%0.67580%0.797SS**  cis-143.8158.8-1.441.7-22000120
152V46.1Very low43.6Very low145 Ų145117.6 Ų117.688%0.87979%0.79SS**  trans56.8151138.1970000120
153A35.3Very low43.5Very low97 Ų97123.6 Ų123.680%0.80280%0.795SS**  cis-151.5162.615.800000112.9
154G34.6Very low42.7Very low82 Ų82126.7 Ų126.785%0.84580%0.8SS**  trans139.8144.8165.100000114.9
155A34.8Very low42.7Very low98 Ų98121.5 Ų121.581%0.8179%0.792SS**  trans-138.8-176.3178.600000109.3
156P44.7Very low43.2Very low133 Ų133123.6 Ų123.686%0.86479%0.794SS**  cis-129.3167.2-14.338.7-23.5000114.3
157G35.1Very low44.2Very low78 Ų78119.5 Ų119.580%0.80478%0.783SS**  trans178156.8169.500000117.4
158M46.4Very low44.5Very low178 Ų178120.8 Ų120.888%0.87779%0.792SS**  trans-146.8167.4172.9-69.5-163.379.800109.9
159P55.9Low45.5Very low104 Ų104125.5 Ų125.568%0.67580%0.797SS**  cis-106-133.5-13.144.4-32.7000108.4
160P54.9Low45.8Very low117 Ų117125.3 Ų125.376%0.7680%0.796SS**  cis-67.7-177.8-10.2-18.934.9000113.8
161A43.5Very low45.1Very low98 Ų98125.7 Ų125.781%0.8180%0.798SS**  cis84.780.5-0.600000120
162G34.9Very low44.8Very low71 Ų71124.3 Ų124.373%0.73280%0.802SS**  trans-160.3112.1165.700000115.4
163Y39.7Very low45.2Very low215 Ų215124 Ų12484%0.84380%0.8SS**  trans60.9156.2161.4-83.2-97.9000121.6
164Q42.3Very low45.7Very low179 Ų179125 Ų12584%0.83680%0.799SS**  trans63.7151.3177.7-33.2-52.915.500116.6
165G38.9Very low46.6Very low68 Ų68126.9 Ų126.970%0.70180%0.797SS**  cis165.5105.2-1200000114
166M44.8Very low47.4Very low176 Ų176130.2 Ų130.287%0.86780%0.797SS**  trans65.6133.3168.7-148.576.182.200118.2
167P56.5Low47.3Very low95 Ų95133 Ų13362%0.61780%0.801SS**  trans-86.4144.8171.433.9-33.8000113
168P58.3Low47.6Very low131 Ų131136.9 Ų136.985%0.85180%0.798SS**  trans-75.2158.917132.6-35000112
169M52.4Low47.1Very low170 Ų170131.9 Ų131.984%0.83779%0.792SS**  trans-115.7154.1-170.6-59.9-172.9-178.700113.1
170M47.6Very low46.6Very low176 Ų176135.4 Ų135.487%0.86780%0.801SS**  trans-65.3139.5-178.2-79.5-84.1-76.700112.9
171P43.5Very low46.3Very low125 Ų125135.6 Ų135.681%0.81280%0.803SS**SBendtrans-72.2133.5169.7-11.327.2000111.1
172G50.3Low46.7Very low74 Ų74137.1 Ų137.176%0.76380%0.804SS**  trans157.919.8171.900000120.3
173V55.6Low47.5Very low138 Ų138138.2 Ų138.284%0.83681%0.806SS**  trans-146.5144.7173.9-96.30000112.3
174P45.9Very low48Very low120 Ų120136.5 Ų136.578%0.77981%0.808SS**  trans-76.9153.8-178.631.7-35.4000113.1
175P52.3Low48Very low121 Ų121134.2 Ų134.279%0.78681%0.809SS**  trans-90.5140.4-167.934.1-35.5000115.6
176M51.1Low48.5Very low167 Ų167134.4 Ų134.482%0.82381%0.811SS**  trans46.8127.4151.9-70.4-166169.700121.6
177M42.8Very low49Very low191 Ų191134.6 Ų134.694%0.94181%0.812SS**  -138.5147.1124.3-159.3171-172.900110.6
178H41.2Very low48.5Very low161 Ų161136 Ų13675%0.74582%0.821SS**  trans-89.9139.9171.3-73.968.4000110.1
179G37.3Very low48.3Very low72 Ų72135.9 Ų135.974%0.74282%0.82SS**  trans137.9126.1160.500000116.3
180M44.8Very low47.7Very low179 Ų179131.7 Ų131.788%0.88281%0.812SS**  trans34.7126.1150.9-71.6152.55800120.8
181P47.8Very low48Very low121 Ų121132.1 Ų132.179%0.78681%0.814SS**PPolyproline II helixtrans-67.1139.5159.831.2-33.2000110.1
182P52.8Low48.3Very low129 Ų129135.1 Ų135.184%0.83882%0.82SS**PPolyproline II helixtrans-70.7135.8-179.928.1-34.2000111.6
183A51.6Low48.5Very low94 Ų94137 Ų13778%0.77782%0.819SS**PPolyproline II helixtrans-75.1144.3172.700000111.3P185A183-P185 WeakPolarHBondContact O-CD 3.22Å
184M50.5Low47.8Very low180 Ų180139.5 Ų139.589%0.88782%0.824SS**PPolyproline II helixtrans-62.6122.8173.4-74.2-87-74.900110.8G186M184-G186 PolarHBondContact O-N 3.02Å
185P41.5Very low47.3Very low130 Ų130137.1 Ų137.184%0.84482%0.821SS**PPolyproline II helixtrans-70.7124.7169.2-13.629.3000109.7A183A183-P185 WeakPolarHBondContact O-CD 3.22Å
186G49.3Very low46.9Very low73 Ų73134.9 Ų134.975%0.75382%0.82SS**  trans174.3-2.6178.900000120.7M184M184-G186 PolarHBondContact O-N 3.02Å
187M56.1Low46.7Very low180 Ų180135 Ų13589%0.88782%0.82SS**  trans-134.6131.4178.4-69.6-178.169.600112.3
188P45.4Very low47Very low124 Ų124133.5 Ų133.581%0.80581%0.813SS**  trans-80.3132.8179.731.5-33.5000111.8
189P53.8Low47.8Very low129 Ų129131.6 Ų131.684%0.83882%0.815SS**  trans-87.8135.2175.433.6-32.3000111.7
190A41.1Very low48.7Very low81 Ų81134.2 Ų134.267%0.66982%0.819SS**  trans-148130.6172.900000112.3
191M52.7Low49Very low185 Ų185134 Ų13491%0.91182%0.818SS**  trans63.999.1154-53.9174.7-157.700118.7
192M49.8Very low49.1Very low188 Ų188136.4 Ų136.493%0.92682%0.821SS**  trans-106.2143.2136.2-62.717017800106.1
193P54.3Low49.1Very low115 Ų115135.6 Ų135.675%0.74782%0.816SS**  -156.2164.192.840.4-22.5000117.4
194M42Very low49.2Very low189 Ų189134.8 Ų134.893%0.93182%0.816SS**  trans63.6157.3148.3-79.3-67-175.700121.1
195G35.6Very low49.1Very low71 Ų71134.8 Ų134.873%0.73282%0.816SS**  trans84142.3-179.100000113.1
196G44.2Very low49.5Very low73 Ų73134 Ų13475%0.75381%0.811SS**  cis97.5127.42.600000112.9
197M45.3Very low49.3Very low169 Ų169135.4 Ų135.483%0.83382%0.815SS**  trans70.7131.7176.9-101.664.8163.200118.6
198M50.3Low49.5Very low161 Ų161134.3 Ų134.379%0.79381%0.811SS**  trans32.4136.6151.465.2-130.5175.700123.4
199P56.9Low49.8Very low121 Ų121133.9 Ų133.979%0.78681%0.808SS**PPolyproline II helixtrans-74.6139.7164.932.8-33.4000111.5
200P56.8Low49.5Very low127 Ų127134.3 Ų134.383%0.82581%0.812SS**PPolyproline II helixtrans-77.2128.6178.529.8-33.7000112.4
201M52.2Low49.6Very low173 Ų173133.8 Ų133.885%0.85281%0.814SS**PPolyproline II helixtrans-79.6117.1171173.4178.8169.400110P203M201-P203 WeakPolarHBondContact O-CD 3.38Å
202M49.3Very low49.4Very low173 Ų173132.9 Ų132.985%0.85281%0.811SS**PPolyproline II helixtrans-76.8121.2171.7-86.1-71.6-72.400110.7
203P51.7Low49.7Very low112 Ų112129.2 Ų129.273%0.72780%0.801SS**PPolyproline II helixtrans-81133175.3-9.927.9000111.6M201M201-P203 WeakPolarHBondContact O-CD 3.38Å
204G53.8Low49.2Very low76 Ų76129 Ų12978%0.78480%0.8SS**  trans103.574.6158.700000117.6
205M49.7Very low49.7Very low180 Ų180128.6 Ų128.689%0.88780%0.796SS**  trans-138150.9143.2-75.9-151.277.200110.3
206P48.9Very low49.8Very low115 Ų115134 Ų13475%0.74780%0.804SS**  trans-71.3151.4-177.8-16.832.1000113.1
207A46.1Very low49.8Very low101 Ų101134.9 Ų134.984%0.83580%0.804SS**  trans-73.3142.3179.900000113
208I59.3Low49.9Very low157 Ų157132.6 Ų132.681%0.80580%0.802SS**  trans-131131169.5-57.9179.5000107.4
209P51.4Low49.5Very low115 Ų115136.3 Ų136.375%0.74781%0.807SS**  trans-75157.5-176.430.6-35.7000113.1
210P48.3Very low48.9Very low139 Ų139137.1 Ų137.190%0.90381%0.813SS**  trans-84.3130.9-173.132.4-34.6000113.5
211G42.4Very low47.8Very low70 Ų70134.2 Ų134.272%0.72281%0.805SS**  trans171.7133.7165.300000116.1
212I49.1Very low47.2Very low165 Ų165134.9 Ų134.985%0.84681%0.809SS**  trans72.2128.4160.2-49.9175.3000116.4
213P55.8Low46.6Very low111 Ų111131.1 Ų131.172%0.72180%0.797SS**  trans-84.6160174.636-36000112.5
214P45.1Very low46.1Very low112 Ų112134.4 Ų134.473%0.72780%0.803SS**  -147163.1116.237.7-22.9000117
215H51.7Low45.4Very low180 Ų180139.2 Ų139.283%0.83381%0.809SS**  trans-39.2141.1169.1-39.8-87.3000116.7
216M37.5Very low44.7Very low183 Ų183134.8 Ų134.890%0.90180%0.801SS**  trans-145.3127.1163.6-91.6-65.4161.200112.1
217A44Very low44.8Very low92 Ų92135.1 Ų135.176%0.7680%0.802SS**  trans145.474.9144.800000115
218P47Very low44.2Very low122 Ų122136.9 Ų136.979%0.79280%0.803SS**PPolyproline II helixtrans-75.2154.8154.433.5-32.3000111
219R43.4Very low43.5Very low238 Ų238135.6 Ų135.690%0.89881%0.805SS**PPolyproline II helixtrans-90.2147.5-178.2-58.3172.679.5-122.57.3110.9
220P42.5Very low42.6Very low139 Ų139135.1 Ų135.190%0.90381%0.811SS**PPolyproline II helixtrans-77.5147-171.4-14.630.6000114.6
221G34.5Very low42.1Very low65 Ų65133.3 Ų133.367%0.6781%0.808SS**  trans139.786.5157.200000117.3
222M40.1Very low41.7Very low188 Ų188133.6 Ų133.693%0.92681%0.811SS**  trans176.9169.3148-110.840.9119.400108.7
223P37.1Very low41.4Very low94 Ų94131.9 Ų131.961%0.6181%0.81SS**  trans-111.3155.6-139.85.319.7000117.2
224H39.5Very low40.6Very low181 Ų181134.5 Ų134.584%0.83882%0.816SS**  trans-4131.2157.842.1-109.5000121.3
225I39.2Very low40.8Very low177 Ų177134.3 Ų134.391%0.90882%0.815SS**  -140.9160.1122.9-163.1159.6000110
226A36.2Very low39.8Very low87 Ų87131.2 Ų131.272%0.71981%0.814SS**  trans-91.6166.3-161.700000115
227P49.6Very low39.5Very low121 Ų121133.9 Ų133.979%0.78681%0.814SS**  trans-110164.9-164.940.9-34000115.6
228T33.9Very low39.6Very low139 Ų139135.6 Ų135.685%0.85382%0.817SS**  trans-143.3145.8157.242.10000111.7
229P45.5Very low38.8Very low129 Ų129134.4 Ų134.484%0.83882%0.818SS**  trans-111.7-162.6-178.143.7-36.8000113.6
230A32.7Very low38.6Very low106 Ų106127.4 Ų127.488%0.87681%0.81SS**  trans98.5160.1164.700000117.5
231A37.1Very low38.9Very low101 Ų101126.3 Ų126.384%0.83580%0.803SS**  trans-137.6128.9-160.100000114.2
232G35.2Very low38.8Very low76 Ų76129.6 Ų129.678%0.78481%0.81SS**  trans61.6-173.4169.600000116.2
233P41.6Very low38.5Very low129 Ų129126.7 Ų126.784%0.83880%0.802SS**  cis-113.1176.2-24.238.8-27.3000112.3
234I40Very low38.5Very low166 Ų166131 Ų13185%0.85182%0.815SS**  trans-85.9148.8177.4-26.5176.3000111.1
235P47.9Very low38.9Very low108 Ų108127.8 Ų127.870%0.70181%0.809SS**  -145.9148.712634.7-18.7000117.5
236S31.6Very low38.9Very low114 Ų114123.6 Ų123.680%0.79780%0.801SS**  trans67.2105.3144-60.30000123.4
237R30.7Very low38.8Very low240 Ų240126.1 Ų126.191%0.90681%0.807SS**  17.6139.9129.2-90175.1145.2-176.7-7.7119.5
238P45.7Very low38.1Very low128 Ų128126.1 Ų126.183%0.83181%0.806SS**  cis-108.7-155.646.737.2-29.4000113.3
239A31.7Very low38.4Very low97 Ų97128.9 Ų128.980%0.80281%0.806SS**  cis-148.2-146.68.200000113.4
240A38.3Very low38.8Very low90 Ų90128.8 Ų128.874%0.74481%0.805SS**  trans-159.5172.4-168.800000111.5
241P47.9Very low39.4Very low117 Ų117129.9 Ų129.976%0.7680%0.795SS**  cis-136.2168.1-35.535.8-19.3000114.8
242V32.4Very low39.7Very low134 Ų134133.6 Ų133.681%0.81279%0.793SS**  177.2122.6128.5146.80000113.9
243V35Very low40.4Very low126 Ų126135.5 Ų135.576%0.76479%0.792SS**  trans25.6120.2150.3-168.50000122.6
244Q37.8Very low39.9Very low186 Ų186135.1 Ų135.187%0.86979%0.792SS**  trans-151145.7133.9-71.6-161.4100111.4
245P47.4Very low39.5Very low112 Ų112131.7 Ų131.773%0.72779%0.789SS**  trans-86.9137.616634.2-31.2000111.2
246A38Very low38.8Very low89 Ų89131.1 Ų131.174%0.73679%0.793SS**  78.6130.859.600000113.5
247V35.3Very low38.8Very low140 Ų140134.5 Ų134.585%0.84880%0.796SS**  cis-124.3-128.81.7-123.40000111.3
248T35Very low38.8Very low122 Ų122132.1 Ų132.175%0.74880%0.798SS**  cis-156.8159.4-0.8-38.30000110.4
249K40.4Very low38.2Very low197 Ų197129.6 Ų129.686%0.85779%0.794SS**  trans-171.5178.5-175.8-103.9163.3-174.6173.20108.1
250P53.3Low38.3Very low126 Ų126131.2 Ų131.282%0.81880%0.8SS**  cis-130.1-105.9-19.433.6-10.8000113.2
251L44.8Very low37.8Very low129 Ų129130.8 Ų130.868%0.67580%0.804SS**  trans-161.4142.8-149.9-169.870.4000113.9
252F42.6Very low37Very low179 Ų179129.9 Ų129.979%0.78581%0.807SS**  trans69.8163.4165.6-65.1-32.9000120.3
253P50.2Low36.8Very low116 Ų116130.8 Ų130.875%0.75381%0.807SS**  cis-143.4167.7-29.936.6-17.5000118.7
254S31.6Very low36.6Very low122 Ų122129.6 Ų129.685%0.85380%0.804SS**  trans94.5149.8140.5-143.20000124.6
255A31.6Very low36.4Very low94 Ų94124.9 Ų124.978%0.77779%0.792SS**  trans102.3119.1151.600000124
256A32.7Very low35.7Very low95 Ų95125.3 Ų125.379%0.78579%0.793SS**  trans73.1106.3137.900000125.7
257Q31.9Very low35.5Very low185 Ų185128 Ų12886%0.86480%0.8SS**  49.3139.6130-69.1-169.2-700126.3
258M32.1Very low35.3Very low191 Ų191124.3 Ų124.394%0.94179%0.791SS**  trans74141.7148.788.6169.7-165.600122.2
259G32.9Very low35.2Very low74 Ų74125.1 Ų125.176%0.76380%0.795SS**  trans155.7147.6177.500000111.7
260S32.6Very low34.7Very low132 Ų132121.3 Ų121.392%0.92379%0.793SS**  trans-134141.9-164.2-58.60000115.4
261G29.3Very low33.8Very low81 Ų81120.8 Ų120.884%0.83579%0.793SS**  trans81.6167.7162.700000116.6
262A29.3Very low34.8Very low98 Ų98120.2 Ų120.281%0.8180%0.797SS**  cis-161.8152.5-17.100000111
263N28.9Very low35.3Very low152 Ų152117.2 Ų117.281%0.81380%0.795SS**  trans26.9138.5157.2-86.318.7000123.9
264S30.5Very low34.5Very low101 Ų101116.4 Ų116.471%0.70680%0.798SS**  trans75.6159.9137-69.30000120.3
265S33.7Very low34.3Very low87 Ų87117 Ų11761%0.60879%0.791SS**  cis-171.1131.9-29.4-92.80000110.6
266T32.9Very low34.4Very low122 Ų122119.6 Ų119.675%0.74879%0.787SS**  trans58.7161.2144.361.60000122.1
267T33.4Very low34.4Very low145 Ų145123 Ų12389%0.8979%0.787SS**  trans70.5147.116879.70000117.7
268G32.5Very low34.4Very low63 Ų63119.2 Ų119.265%0.64978%0.781SS**  cis179.9155.8-1200000116.2
269V31.1Very low34.2Very low138 Ų138115.1 Ų115.184%0.83678%0.777SS**  trans46120136.1-1760000119.9
270S29.9Very low34Very low117 Ų117116.6 Ų116.682%0.81878%0.776SS**  -169.2160.2124.4-83.10000111.8
271S35.8Very low34Very low116 Ų116115.2 Ų115.281%0.81177%0.767SS**  trans-120.8-129.7-170.7-59.80000114
272P64.5Low34.3Very low117 Ų117120.8 Ų120.876%0.7677%0.771SS**  -117.8-140.8-116.340.2-19.9000110.5
273P54.8Low35.7Very low116 Ų116120.5 Ų120.575%0.75376%0.761SS**  cis-133.5-175.1-20.740.6-23.3000114.4
274A32.6Very low36.7Very low99 Ų99118.6 Ų118.682%0.81876%0.757SS**  trans-178.1155.213600000113
275D28Very low36.8Very low133 Ų133122.7 Ų122.771%0.71176%0.762SS**  trans-100.6162.1-174.7-87.9-106.6000114.8
276H33.8Very low36.7Very low149 Ų149123.6 Ų123.669%0.6977%0.769SS**  154.5124.5109.3-80.8-59.3000116
277Q31.8Very low36.5Very low168 Ų168124.5 Ų124.579%0.78577%0.769SS**  trans59.2168.6136.4-58.917992.600120.7
278S31.6Very low36.5Very low104 Ų104125.2 Ų125.273%0.72776%0.764SS**  cis-170.5151.9-47.7-890000109.8
279A28.2Very low37.4Very low105 Ų105127 Ų12787%0.86876%0.764SS**  trans64.1169.2167.700000118.1
280S28.8Very low37.5Very low106 Ų106128.7 Ų128.774%0.74176%0.763SS**  cis-167.8159.1-40.9-170.40000111.6
281S31.8Very low37.6Very low103 Ų103127 Ų12772%0.7276%0.756SS**  trans72.486.7150.3-53.90000124
282Q36.5Very low37.4Very low197 Ų197129.7 Ų129.792%0.92176%0.756SS**  62.9-179.4116-112.3-165.83500122.6
283P58.3Low36Very low93 Ų93133 Ų13360%0.60476%0.761SS**  -125.8-169.8-127.445.5-27.5000116.5
284P49.9Very low35Very low111 Ų111133.4 Ų133.472%0.72176%0.757SS**  -149.7134.5122.633.1-14000119.2
285F32.6Very low35.5Very low187 Ų187134.5 Ų134.582%0.8276%0.756SS**  trans50122.8132.2-60.2-63.6000127.1
286S31.2Very low35.9Very low107 Ų107132.7 Ų132.775%0.74875%0.753SS**  91112.6120.2-67.40000125.8
287N30.3Very low35.7Very low141 Ų141133.1 Ų133.175%0.75477%0.766SS**  81.9104.5117.7-157.659.3000123.4
288M33.1Very low35.7Very low159 Ų159130.1 Ų130.178%0.78377%0.77SS**  59149.2119.4-161.770.385.500121.4
289P50.7Low35.6Very low101 Ų101130.3 Ų130.366%0.65678%0.778SS**  cis-132.1-154.8-1834.2-11.3000114.3
290Q33Very low35.7Very low174 Ų174129.8 Ų129.881%0.81377%0.774SS**  trans91.699.7146.9-148165.6-14.200116.7
291A32.1Very low36Very low81 Ų81130.4 Ų130.467%0.66978%0.778SS**  62.595.174.300000113.2
292Q32.4Very low36Very low173 Ų173133.4 Ų133.481%0.80879%0.786SS**  73.8102.473.7-171.1-161.5-16.300113.8
293Q34.9Very low35.6Very low187 Ų187128 Ų12887%0.87478%0.775SS**  -171.6166.5118-1011796000113.3
294N34Very low34.3Very low123 Ų123131.1 Ų131.166%0.65879%0.786SS**  trans-76.9164.7-164.2-16840.9000114.2S296N294-S296 PolarHBondContact ND2-N 3.09Å; N294-S296 PolarHBondContact ND2-OG 2.81Å
295P43.3Very low33.3Very low123 Ų123130.6 Ų130.680%0.79979%0.785SS**  -136.2147116.238.1-29.6000114.8
296S35Very low33.1Very low94 Ų94128.4 Ų128.466%0.65779%0.787SS**  trans-98.8140.7174.5-550000112.1N294N294-S296 PolarHBondContact ND2-N 3.09Å; N294-S296 PolarHBondContact ND2-OG 2.81Å
297V30.9Very low32.9Very low158 Ų158127.9 Ų127.996%0.95879%0.789SS**  trans-160.8163.8136-99.40000109.5
298A30.9Very low32.9Very low106 Ų106126.3 Ų126.388%0.87680%0.796SS**  trans-97.6151.4-164.300000115.2
299A29.4Very low32.6Very low108 Ų108124.5 Ų124.589%0.89380%0.799SS**  trans-150.3155.9152.800000108.8
300A31Very low31.8Very low94 Ų94125.5 Ų125.578%0.77781%0.808SS**  trans-120.7144.1-179.200000111.4
301S33.8Very low31.9Very low119 Ų119126 Ų12683%0.83281%0.81SS**  trans178.2119.2144.4-84.70000114
302N31.8Very low32.5Very low166 Ų166127 Ų12789%0.88881%0.81SS**  53.2157.3128.9-129.7-12000124.3
303A29.8Very low33Very low84 Ų84125 Ų12569%0.69481%0.812SS**  trans80.291157.300000122.7
304L29.4Very low32.8Very low157 Ų157125.5 Ų125.582%0.82281%0.812SS**  63.8117.9106.1-16766.7000123
305S29.9Very low32.9Very low101 Ų101124.2 Ų124.271%0.70682%0.818SS**  trans63.7146153.1-590000118.8
306T28.8Very low32.4Very low140 Ų140124.7 Ų124.786%0.85982%0.819SS**  cis-154.3168.137.6-52.80000111.4
307A27.4Very low32.1Very low97 Ų97129.7 Ų129.780%0.80283%0.829SS**  trans-89.1158.7-17700000115.6
308A29.6Very low32.5Very low108 Ų108128.3 Ų128.389%0.89382%0.823SS**  trans-147.1156.9155.200000109
309S27.7Very low32.3Very low120 Ų120128.1 Ų128.184%0.83982%0.822SS**  trans-132.9136.6-169.8178.30000113
310S33.8Very low32.4Very low122 Ų122132.1 Ų132.185%0.85382%0.815SS**  trans-169.9129.4149.237.30000113.5
311E34.7Very low32.7Very low184 Ų184133.5 Ų133.586%0.8681%0.814SS**  trans-100.3176.2163.7-95.9-173.99100109.7
312P43.7Very low32.9Very low102 Ų102135.4 Ų135.466%0.66281%0.81SS**  cis-125.3-161.4-22.632.3-11.2000110.6
313P44.3Very low33.4Very low131 Ų131132.5 Ų132.585%0.85180%0.8SS**  -143.6167.494.938-23000115.2
314K30.1Very low33.6Very low199 Ų199134 Ų13487%0.86581%0.805SS**  trans-110144.9-175.4-172.8174.8-179.7176.40111.6
315A35.4Very low33.6Very low96 Ų96133.5 Ų133.579%0.79381%0.809SS**  trans-76.1146.9-176.100000114.3
316T32.9Very low33.6Very low133 Ų133134.1 Ų134.182%0.81681%0.813SS**  trans-141.4141.3171.7-64.90000109.8
317F28.8Very low33.6Very low199 Ų199132.7 Ų132.787%0.87381%0.808SS**  trans-82.6150180-71.7-106.3000112.4
318P39.3Very low33.7Very low128 Ų128132.5 Ų132.583%0.83180%0.801SS**  trans-82.6134.8170.233.1-32.5000111.9
319A26.9Very low33.6Very low102 Ų102133.7 Ų133.784%0.84380%0.797SS**  trans-126.3125161.900000108
320Y32Very low33.7Very low193 Ų193132.7 Ų132.776%0.75779%0.791SS**  trans-112.8131.5-172.2179.3-92.3000111.1
321T37.2Very low33.5Very low123 Ų123132.2 Ų132.276%0.75579%0.787SS**  trans-112.8137.1-178.4-55.50000110.6
322Q38.5Very low33.4Very low158 Ų158128.5 Ų128.574%0.73878%0.781SS**  trans-75.2144179.8-68.9-93.9-28.300112.7
323P42.3Very low32.9Very low105 Ų105128.9 Ų128.968%0.68279%0.787SS**  trans-98153.2160.736.5-30.5000112.4
324S33.4Very low32.7Very low115 Ų115129.7 Ų129.780%0.80478%0.784SS**  trans-128.3141.1179-54.80000111.9
325V28.9Very low33.7Very low148 Ų148125.1 Ų125.190%0.89777%0.774SS**  trans-145.6150.4163.2-75.30000112.2
326S29.2Very low33.7Very low113 Ų113126 Ų12679%0.7978%0.775SS**  trans-84.7179.2-179.3-48.30000111.9
327S29.7Very low33.7Very low110 Ų110124.5 Ų124.577%0.76977%0.77SS**  cis-156.1-160.916.4-350000109
328S29.4Very low34Very low94 Ų94120 Ų12066%0.65776%0.763SS**  cis-172.9161-6.735.60000109.8
329T28.3Very low33.8Very low132 Ų132120.1 Ų120.181%0.8176%0.761SS**  trans63.7151.3153.843.70000119.4
330S29.3Very low34Very low100 Ų100121.9 Ų121.970%0.69976%0.762SS**  cis-167.3172.2-5.945.40000112.4
331S29.8Very low34.3Very low111 Ų111117.4 Ų117.478%0.77676%0.764SS**  trans76.6152.6162.3800000119.5
332S32.4Very low34.1Very low106 Ų106120.8 Ų120.874%0.74177%0.769SS**  cis-170.8152.1-22.9-960000113.2
333S32.5Very low34.7Very low110 Ų110118.6 Ų118.677%0.76977%0.768SS**  trans71.9153.7159.487.50000118
334N40.3Very low34.9Very low149 Ų149119.6 Ų119.680%0.79777%0.774SS**  cis-154.5-170.5-5.3-131.73.8000112.2
335P52Low34.8Very low102 Ų102117.8 Ų117.866%0.66277%0.767SS**  -132.4-166.8-122.544.7-25.6000117.9
336S33.7Very low34.9Very low116 Ų116116.7 Ų116.781%0.81176%0.76SS**  trans107.1138165.7-47.90000115.5
337S34Very low35.1Very low101 Ų101117.4 Ų117.471%0.70676%0.76SS**  cis-163155-9.5173.90000111.3
338S34.3Very low35.7Very low104 Ų104118.5 Ų118.573%0.72776%0.762SS**  trans59.3136.8155.234.10000120.1
339T35.3Very low36.1Very low130 Ų130119.5 Ų119.580%0.79877%0.769SS**  cis-150.81520.435.90000112
340V32.2Very low36.6Very low140 Ų140122.7 Ų122.785%0.84877%0.772SS**  trans14.7130.8138.4177.80000117.6
341A37.2Very low37.2Very low98 Ų98124.3 Ų124.381%0.8178%0.779SS**  cis-143.6-16229.100000115.6
342K33.8Very low37.5Very low195 Ų195123.3 Ų123.385%0.84878%0.778SS**  trans-146.9171.6-171.9-173.6172.5-179.7177.70107
343P49.8Very low37.8Very low111 Ų111124.8 Ų124.872%0.72178%0.783SS**  cis-97.7-144.8-13.144.4-35.2000109.7
344P46.2Very low38.2Very low126 Ų126127.5 Ų127.582%0.81879%0.788SS**  cis-131.3-113.7-8.537.6-14.2000115.2
345A31.9Very low38.1Very low78 Ų78126.4 Ų126.465%0.64579%0.787SS**  trans-162.4179.4-163.700000108.5
346T31.1Very low37.7Very low124 Ų124128.1 Ų128.176%0.76180%0.796SS**  cis-164.813730.4-300000112.7
347V34.8Very low38.3Very low129 Ų129128.6 Ų128.678%0.78279%0.794SS**  trans55.1140.4143.4171.30000122.4
348T41.7Very low38.9Very low133 Ų133129.1 Ų129.182%0.81680%0.797SS**  trans-93.1142.9165.6175.80000112
349S36.4Very low39.7Very low114 Ų114128.7 Ų128.780%0.79780%0.8SS**  trans-150.3154.2167.6530000112.9
350K38.7Very low40.5Very low200 Ų200128.9 Ų128.987%0.8780%0.801SS**  trans-86.3161.4-176.5-76.5178.3-179.5178.10111.2
351P43.5Very low40.9Very low133 Ų133127.7 Ų127.786%0.86480%0.799SS**  trans-70.2147.5-16327.7-36.5000113.9
352A36.3Very low41.5Very low91 Ų91131.5 Ų131.575%0.75280%0.797SS**  trans-105.3127.5172.700000110.7
353T38.7Very low42.3Very low137 Ų137129.3 Ų129.384%0.8479%0.794SS**  trans-70.2128.1172.3-54.90000110.2
354L40.7Very low42.5Very low166 Ų166131.4 Ų131.487%0.86980%0.798SS**  trans-133.2126.8166.9-75.4178.2000111.6
355T38.6Very low42.5Very low127 Ų127130.9 Ų130.978%0.77978%0.784SS**  trans-80.3135.2171.3-53.30000109.8
356T42.5Very low43.8Very low138 Ų138131.4 Ų131.485%0.84778%0.781SS**  trans-147.7143.5154.1-154.60000111.4
357T45.7Very low44.8Very low126 Ų126132.8 Ų132.877%0.77378%0.784SS**  trans-136.8103.3-176-58.60000110
358S47.8Very low45.7Very low111 Ų111135.4 Ų135.478%0.77679%0.787SS**  trans-173.2154.4150.834.10000110.8
359A51.3Low46Very low96 Ų96134.6 Ų134.679%0.79378%0.778SS**SBendtrans-3133.817700000120.1
360T51Low46.8Very low134 Ų134133.3 Ų133.382%0.82276%0.762SS**  trans81.145169.1-135.90000117.6K362T360-K362 PolarHBondContact O-N 2.93Å; T360-K362 VanDerWaalsContact O-N 3.08Å
361S40.3Very low47.5Very low115 Ų115126.5 Ų126.580%0.80474%0.739SS**  trans-67.9104.3165.4-170.70000111.2
362K50.5Low48.1Very low177 Ų177126.9 Ų126.977%0.7773%0.733SS**  trans-74.4134.4161.1-70.5-176.7177-178.60108.3T360 I364T360-K362 PolarHBondContact O-N 2.93Å; T360-K362 VanDerWaalsContact O-N 3.08Å; K362-I364 PolarHBondContact O-N 2.85Å
363L50.2Low49.2Very low150 Ų150129.9 Ų129.979%0.78573%0.732SS**  trans-65.4106.9166-78.982.2000108.4H365L363-H365 PolarHBondContact O-N 3.39Å
364I54.1Low50.6Low154 Ų154128.8 Ų128.879%0.7972%0.717SS**  trans-8099.6163.7-60.9170.3000105.5K362K362-I364 PolarHBondContact O-N 2.85Å
365H47.5Very low51.7Low115 Ų115126.2 Ų126.253%0.53270%0.702SS.*  trans-63.6141160.2-86.7-122.4000108.2L363 D369L363-H365 PolarHBondContact O-N 3.39Å; H365-D369 IonicContact CE1-OD2 3.63Å; H365-D369 IonicContact CG-OD2 3.79Å; H365-D369 IonicContact ND1-OD2 2.75Å; H365-D369 PolarHBondContact ND1-OD2 3.36Å
366P57.8Low52.9Low90 Ų90126.1 Ų126.158%0.58469%0.691SS**  trans-63.2154.5172.729.4-34.8000110.3E368 D369P366-E368 PolarHBondContact O-N 2.95Å; P366-D369 PolarHBondContact O-N 3.31Å
367D53.3Low54.1Low152 Ų152122 Ų12281%0.81367%0.67SS**THydrogen-bonded Turntrans-69.65.8-165.8-35.3-81.9000114.8
368E53.9Low55.1Low184 Ų184122.1 Ų122.186%0.8666%0.662SS**THydrogen-bonded Turntrans-92.2-5.8-179.2-54.3-156.1121.700113.4P366 I370P366-E368 PolarHBondContact O-N 2.95Å; E368-I370 PolarHBondContact O-N 3.19Å
369D46.6Very low56.2Low116 Ų116121.1 Ų121.162%0.6265%0.648SS**  trans-76.746.9170.8-106.1-39000112.4H365 P366 S371H365-D369 IonicContact CE1-OD2 3.63Å; H365-D369 IonicContact CG-OD2 3.79Å; H365-D369 IonicContact ND1-OD2 2.75Å; H365-D369 PolarHBondContact ND1-OD2 3.36Å; P366-D369 PolarHBondContact O-N 3.31Å; D369-S371 PolarHBondContact O-N 2.95Å; D369-S371 VanDerWaalsContact O-N 3.08Å
370I53.9Low56.8Low88 Ų88122.4 Ų122.445%0.45165%0.648SS.*  trans-67107.3169.3-58.6173.8000107.5E368 L372 M375E368-I370 PolarHBondContact O-N 3.19Å; I370-L372 PolarHBondContact O-N 3.33Å; I370-M375 HydrophobicContact CG2-CE 4.24Å
371S54.1Low57.2Low57 Ų57127 Ų12740%0.39965%0.65SS.*  trans-54.7134.4178.31770000110.8D369 E373 E374 M375D369-S371 PolarHBondContact O-N 2.95Å; D369-S371 VanDerWaalsContact O-N 3.08Å; S371-E373 PolarHBondContact O-N 2.89Å; S371-E373 PolarHBondContact OG-N 3.08Å; S371-E374 PolarHBondContact O-N 3.31Å; S371-M375 PolarHBondContact O-N 2.75Å
372L55.8Low58Low141 Ų141128.9 Ų128.974%0.73864%0.641SS**THydrogen-bonded Turntrans-59.4-12.8176.2-63175.6000113I370 K376I370-L372 PolarHBondContact O-N 3.33Å; L372-K376 WeakPolarHBondContact O-CD 3.39Å; L372-K376 WeakPolarHBondContact O-CG 3.37Å
373E59.3Low58.6Low154 Ų154127.8 Ų127.872%0.7264%0.639SS**THydrogen-bonded Turntrans-80.2-36.7172.7-61.2179.6113.900112.2S371 K376 A377S371-E373 PolarHBondContact O-N 2.89Å; S371-E373 PolarHBondContact OG-N 3.08Å; E373-K376 PolarHBondContact O-N 3.31Å; E373-A377 PolarHBondContact O-N 2.87Å
374E68.3Low58.5Low114 Ų114131.1 Ų131.153%0.53364%0.641SS.*Hα-helixtrans-69.8-44.8178-169.1178.7127.600111.2S371 K376 A377 Q378S371-E374 PolarHBondContact O-N 3.31Å; E374-K376 PolarHBondContact O-N 3.01Å; E374-A377 WeakPolarHBondContact O-CA 3.33Å; E374-A377 WeakPolarHBondContact O-CB 3.44Å; E374-A377 PolarHBondContact O-N 3.43Å; E374-Q378 PolarHBondContact O-N 2.89Å; E374-Q378 VanDerWaalsContact O-N 3.11Å
375M62.9Low58.6Low111 Ų111131.3 Ų131.355%0.54764%0.643SS.*Hα-helixtrans-63.7-23.7175.5-165.3173.2-69.900112.5I370 S371I370-M375 HydrophobicContact CG2-CE 4.24Å; S371-M375 PolarHBondContact O-N 2.75Å
376K64.3Low58.6Low125 Ų125133.5 Ų133.554%0.54366%0.657SS.*Hα-helixtrans-81.4-31.2169.5-77.4172.562.8-165.50113.2L372 E373 E374 Q378 L379 Y382L372-K376 WeakPolarHBondContact O-CD 3.39Å; L372-K376 WeakPolarHBondContact O-CG 3.37Å; E373-K376 PolarHBondContact O-N 3.31Å; E374-K376 PolarHBondContact O-N 3.01Å; K376-Q378 VanDerWaalsContact C-N 3.25Å; K376-Q378 PolarHBondContact O-N 3.34Å; K376-L379 WeakPolarHBondContact O-CB 3.4Å; K376-L379 PolarHBondContact O-N 3.22Å; K376-Y382 WeakPolarHBondContact O-CD2 3.48Å
377A67.5Low57.7Low51 Ų51134.9 Ų134.942%0.42167%0.665SS.*Hα-helixtrans-67-27.4175.200000112.5E373 E374 L379E373-A377 PolarHBondContact O-N 2.87Å; E374-A377 WeakPolarHBondContact O-CA 3.33Å; E374-A377 WeakPolarHBondContact O-CB 3.44Å; E374-A377 PolarHBondContact O-N 3.43Å; A377-L379 PolarHBondContact O-N 3.11Å
378Q66.4Low57.2Low130 Ų130139.7 Ų139.761%0.60767%0.672SS**THydrogen-bonded Turntrans-71.7-7.9173.4-65.2179.724.800114.1E374 K376E374-Q378 PolarHBondContact O-N 2.89Å; E374-Q378 VanDerWaalsContact O-N 3.11Å; K376-Q378 VanDerWaalsContact C-N 3.25Å; K376-Q378 PolarHBondContact O-N 3.34Å
379L71.3Confident56.4Low90 Ų90135.8 Ų135.847%0.47167%0.671SS.*SBendtrans-69.1137173.3-67.2170.3000110.4K376 A377 R381 Y382K376-L379 WeakPolarHBondContact O-CB 3.4Å; K376-L379 PolarHBondContact O-N 3.22Å; A377-L379 PolarHBondContact O-N 3.11Å; L379-R381 PolarHBondContact O-N 2.96Å; L379-Y382 HydrophobicContact CB-CD2 4.28Å; L379-Y382 PolarHBondContact O-N 2.93Å
380P63Low56Low123 Ų123133.6 Ų133.680%0.79968%0.676SS**THydrogen-bonded Turntrans-54.8-21.1-175.8-29.935.6000115.9Y382P380-Y382 VanDerWaalsContact C-N 3.28Å; P380-Y382 PolarHBondContact O-N 3.45Å
381R60.3Low55Low231 Ų231139.1 Ų139.187%0.87270%0.7SS**THydrogen-bonded Turntrans-73.2-12.8176.1-64.9-69.8-70.8-177.2-4.6114.3L379L379-R381 PolarHBondContact O-N 2.96Å
382Y57Low54Low154 Ų154139.9 Ų139.960%0.60471%0.71SS**THydrogen-bonded Turntrans-117.3-0.2-177.7-65.2-68.6000114.4K376 L379 P380 R384K376-Y382 WeakPolarHBondContact O-CD2 3.48Å; L379-Y382 HydrophobicContact CB-CD2 4.28Å; L379-Y382 PolarHBondContact O-N 2.93Å; P380-Y382 VanDerWaalsContact C-N 3.28Å; P380-Y382 PolarHBondContact O-N 3.45Å; Y382-R384 PolarHBondContact O-N 3.08Å
383Q63.1Low53.1Low154 Ų154142.4 Ų142.472%0.7272%0.717SS**  trans-72.862.5177-167.684.795.300112.2
384R47.1Very low51.8Low219 Ų219139.7 Ų139.783%0.82672%0.722SS**  trans-101.2100.4-178.4-165.1171.373.1158.82112.3Y382Y382-R384 PolarHBondContact O-N 3.08Å
385L57.3Low50Low159 Ų159139.1 Ų139.183%0.83274%0.736SS**  trans8.9111.6163.3-6088.3000116.8
386I46.5Very low48.5Very low161 Ų161138.7 Ų138.783%0.82675%0.75SS**  trans-106.6111.2168.3-57.8174.6000108.8R388I386-R388 PolarHBondContact O-N 2.79Å
387P40.1Very low47.1Very low118 Ų118137 Ų13777%0.76676%0.76SS**  trans-65.9130.3168.8-19.633.1000110.8A389P387-A389 PolarHBondContact O-N 3.5Å
388R43Very low46.2Very low254 Ų254139.6 Ų139.696%0.95877%0.772SS**  trans-82107.2179.2178178.5169.3108.3-6.9110.7I386I386-R388 PolarHBondContact O-N 2.79Å
389A35.8Very low44.9Very low101 Ų101141.5 Ų141.584%0.83578%0.781SS**  trans-137.8145.4164.600000109.6P387P387-A389 PolarHBondContact O-N 3.5Å
390G38Very low43.1Very low71 Ų71143.8 Ų143.873%0.73280%0.799SS**  trans-150.5129.5174.100000110.2
391Q34.5Very low41.7Very low203 Ų203143.1 Ų143.195%0.94980%0.804SS**  trans-158.7150.2165.8-111.5162.71.700108.3
392A32.6Very low40.4Very low73 Ų73137.3 Ų137.360%0.60381%0.805SS**  trans-92.7160.7177.200000110.6
393H36.6Very low39.1Very low194 Ų194133.4 Ų133.490%0.89881%0.811SS**  169.1-179.1115.5-82-59.9000109
394A32.3Very low37.9Very low98 Ų98134.3 Ų134.381%0.8182%0.819SS**  trans-131.4174.1-159.600000114.1
395A31.1Very low37.5Very low101 Ų101132 Ų13284%0.83582%0.82SS**  trans97.1155.3156.100000120
396A30Very low37.4Very low102 Ų102130.1 Ų130.184%0.84382%0.817SS**  trans72.5116.716300000120.7
397A35.1Very low38.1Very low91 Ų91127.4 Ų127.475%0.75281%0.81SS**  trans-91.3165.4139.100000107.7
398P50Low37.9Very low105 Ų105129 Ų12968%0.68281%0.807SS**  -137.7-174.455.327.3-1000113
399Q37.2Very low37.5Very low170 Ų170125 Ų12579%0.79480%0.799SS**  -174.217976.6-83.7-78.9-8900111.4
400V35.3Very low37.5Very low138 Ų138123.7 Ų123.784%0.83680%0.796SS**  trans-106.2154.6-170-66.70000114.8
401A33.4Very low37.5Very low109 Ų109128.3 Ų128.390%0.90180%0.803SS**  trans-161.2161.9153.200000110.7
402A32.2Very low38.6Very low109 Ų109124 Ų12490%0.90179%0.793SS**  trans-117.7167.9-159.300000116.3
403G30.5Very low39.7Very low71 Ų71126.3 Ų126.373%0.73280%0.801SS**  trans106.6155.1169.100000114.9
404I36.8Very low40Very low174 Ų174125.3 Ų125.389%0.89280%0.797SS**  cis-148.6154.9-8.5-43.9173.2000108
405M39.1Very low40.3Very low169 Ų169128.7 Ų128.783%0.83380%0.796SS**  trans-139.8157.617158.6-173.7169.800107.7
406P55.1Low41.2Very low120 Ų120128.9 Ų128.978%0.77979%0.789SS**  cis-145.3-126.640.434.7-6.9000114.9
407P61.4Low41.4Very low105 Ų105127.6 Ų127.668%0.68279%0.786SS**  -127.7-175.9-87.433.3-12.9000116.7
408Q36.3Very low41.8Very low150 Ų150132.4 Ų132.470%0.70180%0.795SS**  trans129.3119.7137-71.5-10093.500119.9
409Q35.2Very low41.3Very low171 Ų171138.6 Ų138.680%0.79980%0.804SS**  trans59.4147.4136.7-58.5-172.318.600124.1
410G34.5Very low41.2Very low73 Ų73138.5 Ų138.575%0.75380%0.804SS**  trans161.485.6162.800000117.5
411L37.5Very low42Very low169 Ų169138.3 Ų138.389%0.88581%0.805SS**  trans-144.2166.3165.5-100.3100.2000109.4
412P58.4Low42Very low113 Ų113141.4 Ų141.473%0.73480%0.803SS**  cis-101.8-95.90.319.53.4000112.5
413P55.5Low42.6Very low121 Ų121145.4 Ų145.479%0.78680%0.803SS**  cis-108.6-157.7-4.343.8-33.1000113.3
414Q44.1Very low42.9Very low172 Ų172144.6 Ų144.680%0.80480%0.795SS**  trans-153.4155.9167.9-137.7-137.8103.200111.1
415Q38.6Very low42.7Very low169 Ų169143.4 Ų143.479%0.7979%0.785SS**  trans-155.3163.9171.5-90.5-52.611.500111
416P48.8Very low42.5Very low106 Ų106145 Ų14569%0.68878%0.783SS**  -123.6175.1-124.142.1-28.4000115.9
417G34.9Very low41.6Very low75 Ų75143.2 Ų143.277%0.77379%0.787SS**  trans-82.5160.8178.400000115.7
418M44Very low40.6Very low192 Ų192142.8 Ų142.895%0.94679%0.792SS**  trans-111.1163.2174.7-93.6-68.6-177.900112.5
419R37.7Very low41.2Very low234 Ų234141.3 Ų141.388%0.88380%0.795SS**  trans-103.5169.6-165.2-61.6175.871.4-1602.9113.8
420H35.7Very low41.9Very low169 Ų169139.4 Ų139.478%0.78280%0.798SS**  trans-62.8169.7-178.3-36.2145.1000114.2
421P51.5Low42.4Very low134 Ų134145.4 Ų145.487%0.8781%0.807SS**  -116.7171.7116.1-9.228.5000115.7
422M34.5Very low42.3Very low173 Ų173140.5 Ų140.585%0.85280%0.797SS**  trans-101.7152.7-177.2-88.4-87.8-157.900113.3
423H45Very low41.5Very low194 Ų194144 Ų14490%0.89881%0.806SS**  trans-151.6138.4146.4-119.5-111.4000105.3
424G35.7Very low41.3Very low54 Ų54144 Ų14456%0.55781%0.806SS**  cis113.874.739.200000106.8
425Q34.3Very low41Very low149 Ų149139.7 Ų139.770%0.69681%0.807SS**  77.9147.289.9-83.9-117.267.700115.2
426Y33.4Very low41.1Very low202 Ų202141 Ų14179%0.79281%0.806SS**  trans42.9124.2167.423.6-114.3000121.6
427G36.2Very low40.9Very low83 Ų83142.8 Ų142.886%0.85681%0.807SS**  trans174.7102.3163.700000112.1
428A41.8Very low41.7Very low96 Ų96144.9 Ų144.979%0.79381%0.807SS**  trans-110.2142.9-173.900000113
429P47.5Very low41.4Very low118 Ų118139.6 Ų139.677%0.76680%0.802SS**PPolyproline II helixtrans-88.2135.817233.9-31.8000112
430P50.5Low41.3Very low132 Ų132132.5 Ų132.586%0.85780%0.802SS**PPolyproline II helixtrans-77.5154.717332.1-34.4000112.3
431Q45Very low42.1Very low199 Ų199133.3 Ų133.393%0.9381%0.808SS**PPolyproline II helixtrans-100.9145.7176.2-90.4-15158.600113.4
432G35.8Very low42.2Very low66 Ų66130.8 Ų130.868%0.6879%0.792SS**  trans91.6123.713100000118.9
433M41.9Very low43.4Very low186 Ų186128.7 Ų128.792%0.91679%0.791SS**  -167.3152.8114.4-95.4-58.717100109.8
434P50.9Low43.3Very low121 Ų121129.6 Ų129.679%0.78679%0.788SS**  trans-96.2150.3-176.636.6-32.2000113.6
435G38.3Very low43.6Very low81 Ų81130.3 Ų130.384%0.83580%0.795SS**  trans-119.2147.2169.800000111.6
436Y40.2Very low44Very low196 Ų196132.6 Ų132.677%0.76981%0.806SS**  trans-131.1118.8-163.3169.2-90.2000113
437M45.1Very low44.6Very low144 Ų144125.8 Ų125.871%0.70980%0.797SS**  trans60.1177.2158.7-70.4-156-178.300118.3
438P51.9Low45.5Very low119 Ų119128 Ų12877%0.77380%0.796SS**  cis-129168.9-19.616.96.3000115.2
439G36Very low46.1Very low82 Ų82128.4 Ų128.485%0.84579%0.791SS**  trans95.4143.4135.900000119
440G36.7Very low46.3Very low85 Ų85131.1 Ų131.188%0.87680%0.796SS**  trans14171.4172.600000114.8
441M51Low46.7Very low186 Ų186131.5 Ų131.592%0.91680%0.795SS**  trans-104.1161.8167.8-111.2-141.9160.600111.6
442P55Low47.3Very low81 Ų81127.8 Ų127.853%0.52679%0.788SS.*  trans-90.6158.5-152.335.5-38.3000115.3
443P60Low48.2Very low128 Ų128130.5 Ų130.583%0.83179%0.794SS**  trans-75.5157.6159.633.9-33.8000111.5
444Y43.1Very low48.3Very low214 Ų214132.7 Ų132.784%0.83979%0.793SS**  trans-106.8150.7-169.5-67.7-113.1000112.4
445G41.1Very low48Very low69 Ų69136 Ų13671%0.71180%0.798SS**  trans59.7111.414100000120.2
446Q43Very low48.1Very low197 Ų197135.7 Ų135.792%0.92180%0.796SS**  trans-134.5142.3140.7-76.5-61.8-7.100109.9
447G46Very low48.6Very low58 Ų58129.8 Ų129.860%0.59880%0.795SS**  trans-100.9163.4176.700000112.7
448P55.6Low49Very low129 Ų129129.1 Ų129.184%0.83880%0.801SS**  trans-76151.5176.434.5-36.1000111
449P53.9Low49.2Very low105 Ų105129.2 Ų129.268%0.68280%0.802SS**  -143.1158.593.137.8-24.4000114.6
450M52.2Low49.9Very low176 Ų176133.7 Ų133.787%0.86780%0.803SS**  -177.9149.3120.8-89.1-41.5164.700111
451V58.5Low50.7Low140 Ų140133.2 Ų133.285%0.84880%0.798SS**  trans-118.3133.6176.5-76.60000111.2
452P57Low50.5Low121 Ų121133.1 Ų133.179%0.78680%0.797SS**PPolyproline II helixtrans-84.5158.7157.8-14.932.5000111.9
453P55.8Low50.5Low123 Ų123140.5 Ų140.580%0.79982%0.815SS**PPolyproline II helixtrans-87.3165.3-164.734.2-37.3000116.1
454Y43.5Very low50.4Low231 Ų231140 Ų14091%0.90681%0.811SS**PPolyproline II helixtrans-57.3137.2167-105-115.9000112.7
455Q44.8Very low51.1Low190 Ų190135.2 Ų135.289%0.88881%0.806SS**  trans-154.7121162.7-166.780.26100111.3
456G39.8Very low51.6Low76 Ų76138.2 Ų138.278%0.78481%0.811SS**  trans89.3131.7164.800000117
457G50.9Low52.1Low72 Ų72137 Ų13774%0.74281%0.807SS**  trans-97.3178.5173.200000113.9
458P53.7Low52.4Low129 Ų129139 Ų13984%0.83881%0.812SS**  trans-93.3142.8-167.134.8-34.9000115.1
459P55.8Low52.6Low122 Ų122139.2 Ų139.279%0.79281%0.813SS**  trans-94108.6163.833.4-28.9000112.5
460M50.3Low52.3Low176 Ų176138.6 Ų138.687%0.86782%0.817SS**  trans25.1105143.8-60.8-66.2-97.900120
461G53.5Low51.9Low75 Ų75133.8 Ų133.877%0.77381%0.813SS**  47.8106.912600000121.1
462M48.2Very low51.7Low184 Ų184137.7 Ų137.791%0.90681%0.812SS**  trans-118.2102.3158-75.8-69163.500110.6
463R54.7Low51.1Low236 Ų236146 Ų14689%0.89183%0.83SS**PPolyproline II helixtrans-83.4131.2164.6-80.717059.8-172-0.6108.5
464P57.1Low50.9Low118 Ų118147.2 Ų147.277%0.76683%0.832SS**PPolyproline II helixtrans-65.5138.9166.928.6-33.2000109.7
465P59.1Low51.2Low113 Ų113142.8 Ų142.873%0.73483%0.828SS**PPolyproline II helixtrans-72.1140.6175.629.7-33.8000110.9
466V51.5Low51.6Low132 Ų132140.2 Ų140.280%0.882%0.824SS**PPolyproline II helixtrans-79.4127.3168.962.70000109.2
467M51.8Low52.3Low172 Ų172143.9 Ų143.985%0.84783%0.827SS**  trans-10297176.2-78168.356.900109.9
468S53.1Low52.4Low99 Ų99148.4 Ų148.469%0.69283%0.832SS**  trans-76.5125.2172.3-57.90000110.5A470S468-A470 PolarHBondContact O-N 3.35Å
469P59.6Low52.3Low133 Ų133149.7 Ų149.786%0.86483%0.832SS**  trans-76.786170.431.3-33000110.1
470A47.8Very low52.1Low93 Ų93151.7 Ų151.777%0.76983%0.834SS**  trans-69.9127.9162.100000108.9S468S468-A470 PolarHBondContact O-N 3.35Å
471G43.9Very low52.2Low75 Ų75149.8 Ų149.877%0.77383%0.832SS**  trans-71165.4-170.400000114.9
472R55Low52.1Low222 Ų222156.1 Ų156.184%0.83884%0.837SS**  trans-139.3128.9164.1-71.9-170.4179-82.3-0109.1
473Y43.3Very low52.4Low296 Ų296153.5 Ų153.5100%1.16183%0.83SS**  trans40.30160.2-68.5-89.5000117

Retrieved 473 of 473 residues in 196.5 ms (Link to these results)