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Mitochondrial fission factor AlphaSync

Plays a role in mitochondrial and peroxisomal fission. Promotes the recruitment and association of the fission mediator dynamin-related protein 1 (DNM1L) to the mitochondrial surface. May be involved in regulation of synaptic vesicle membrane dynamics by recruitment of DNM1L to clathrin-containing vesicles.

AlphaFold DB (Q9GZY8-4), UniProt , Accession A0A096NFC4, Species PAPAN (Papio anubis, Olive baboon), Gene MFF, Length 218 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
1M59.9Low82.6Confident210 Ų210126.3 Ų126.3100%1.03462%0.624SS**  0-49.30-63.2-162.2-168.100112.3E3 I4 S5M1-E3 VanDerWaalsContact C-N 3.32Å; M1-E3 PolarHBondContact O-N 3.01Å; M1-I4 PolarHBondContact O-N 3.12Å; M1-S5 PolarHBondContact O-N 3.15Å; M1-S5 PolarHBondContact O-OG 3.28Å
2A73.4Confident83.5Confident79 Ų79127.3 Ų127.365%0.65363%0.626SS**Hα-helixtrans-60.9-31.3-178.100000115.6S5 R6A2-S5 VanDerWaalsContact C-OG 3.31Å; A2-S5 WeakPolarHBondContact CA-OG 3.07Å; A2-S5 PolarHBondContact O-OG 3.11Å; A2-R6 PolarHBondContact O-N 2.95Å; A2-R6 VanDerWaalsContact O-N 3.17Å
3E77.9Confident84.3Confident157 Ų157128.2 Ų128.273%0.73462%0.62SS**Hα-helixtrans-71.6-38.8179.1-66.2178.3172.500112.6M1 S5 R6 I7M1-E3 VanDerWaalsContact C-N 3.32Å; M1-E3 PolarHBondContact O-N 3.01Å; E3-S5 PolarHBondContact O-N 2.92Å; E3-R6 PolarHBondContact O-N 3.2Å; E3-R6 VanDerWaalsContact O-N 3.16Å; E3-I7 WeakPolarHBondContact O-CG1 3.44Å; E3-I7 PolarHBondContact O-N 3.17Å
4I80.3Confident84.8Confident120 Ų120125.4 Ų125.462%0.61561%0.614SS**Hα-helixtrans-63.8-44.3178.9-61.2167.1000109.9M1 R6 I7 Q8M1-I4 PolarHBondContact O-N 3.12Å; I4-R6 VanDerWaalsContact C-N 3.3Å; I4-R6 PolarHBondContact O-N 3.29Å; I4-I7 PolarHBondContact O-N 3.24Å; I4-Q8 WeakPolarHBondContact O-CB 3.38Å; I4-Q8 PolarHBondContact O-N 3.4Å
5S83.7Confident85.3Confident69 Ų69124.5 Ų124.548%0.48361%0.608SS.*Hα-helixtrans-63.1-35.2174.845.30000112.8M1 A2 E3 Y9M1-S5 PolarHBondContact O-N 3.15Å; M1-S5 PolarHBondContact O-OG 3.28Å; A2-S5 VanDerWaalsContact C-OG 3.31Å; A2-S5 WeakPolarHBondContact CA-OG 3.07Å; A2-S5 PolarHBondContact O-OG 3.11Å; E3-S5 PolarHBondContact O-N 2.92Å; S5-Y9 WeakPolarHBondContact O-CB 3.47Å; S5-Y9 PolarHBondContact O-N 3.49Å
6R86.5Confident85.9Confident160 Ų160118.3 Ų118.360%0.60459%0.586SS**Hα-helixtrans-68.1-45.8177.1-179.2-178.2167.2-149.2-9.6111.4A2 E3 I4 Q8 Y9 E10A2-R6 PolarHBondContact O-N 2.95Å; A2-R6 VanDerWaalsContact O-N 3.17Å; E3-R6 PolarHBondContact O-N 3.2Å; E3-R6 VanDerWaalsContact O-N 3.16Å; I4-R6 VanDerWaalsContact C-N 3.3Å; I4-R6 PolarHBondContact O-N 3.29Å; R6-Q8 VanDerWaalsContact C-N 3.31Å; R6-Q8 PolarHBondContact O-N 3.36Å; R6-Y9 PolarHBondContact O-N 3.47Å; R6-E10 HydrophobicContact CG-CG 4.49Å; R6-E10 IonicContact CZ-OE1 2.81Å; R6-E10 IonicContact NE-OE1 3.43Å; R6-E10 PolarHBondContact NE-OE1 2.83Å; R6-E10 IonicContact NH2-OE1 2.7Å; R6-E10 PolarHBondContact NH2-OE1 3.11Å; R6-E10 WeakPolarHBondContact O-CG 3.44Å; R6-E10 PolarHBondContact O-N 3Å
7I85.7Confident86.3Confident99 Ų99114.6 Ų114.651%0.50857%0.569SS.*Hα-helixtrans-61.8-43.2178.2-66163.3000110.1E3 I4 E10 M11E3-I7 WeakPolarHBondContact O-CG1 3.44Å; E3-I7 PolarHBondContact O-N 3.17Å; I4-I7 PolarHBondContact O-N 3.24Å; I7-E10 PolarHBondContact O-N 3.35Å; I7-M11 HydrophobicContact CG2-CE 4.45Å; I7-M11 VanDerWaalsContact O-CB 3.3Å; I7-M11 WeakPolarHBondContact O-CB 3.07Å; I7-M11 PolarHBondContact O-N 3.09Å
8Q88.4Confident86.6Confident131 Ų131112.2 Ų112.261%0.61257%0.565SS**Hα-helixtrans-63-43.2177.8-167.4172.41.700111.7I4 R6 M11 E12I4-Q8 WeakPolarHBondContact O-CB 3.38Å; I4-Q8 PolarHBondContact O-N 3.4Å; R6-Q8 VanDerWaalsContact C-N 3.31Å; R6-Q8 PolarHBondContact O-N 3.36Å; Q8-M11 PolarHBondContact O-N 2.8Å; Q8-E12 WeakPolarHBondContact O-CB 3.31Å; Q8-E12 PolarHBondContact O-N 3.23Å
9Y88.7Confident86.8Confident151 Ų151113 Ų11359%0.59257%0.566SS**Hα-helixtrans-63.3-45175.1179.7-93.8000112.6S5 R6 M11 E12 Y13S5-Y9 WeakPolarHBondContact O-CB 3.47Å; S5-Y9 PolarHBondContact O-N 3.49Å; R6-Y9 PolarHBondContact O-N 3.47Å; Y9-M11 VanDerWaalsContact C-N 3.32Å; Y9-M11 PolarHBondContact O-N 2.65Å; Y9-E12 PolarHBondContact O-N 3.43Å; Y9-Y13 VanDerWaalsContact O-CB 3.23Å; Y9-Y13 WeakPolarHBondContact O-CB 3.31Å; Y9-Y13 PolarHBondContact O-N 2.72Å
10E92.3Very high87Confident86 Ų86118.2 Ų118.240%0.40258%0.579SS.*Hα-helixtrans-64.2-37.9177.8-75.9178.8-175.600111.6R6 I7 T14R6-E10 HydrophobicContact CG-CG 4.49Å; R6-E10 IonicContact CZ-OE1 2.81Å; R6-E10 IonicContact NE-OE1 3.43Å; R6-E10 PolarHBondContact NE-OE1 2.83Å; R6-E10 IonicContact NH2-OE1 2.7Å; R6-E10 PolarHBondContact NH2-OE1 3.11Å; R6-E10 WeakPolarHBondContact O-CG 3.44Å; R6-E10 PolarHBondContact O-N 3Å; I7-E10 PolarHBondContact O-N 3.35Å; E10-T14 VanDerWaalsContact O-CB 3.3Å; E10-T14 WeakPolarHBondContact O-CB 3.38Å; E10-T14 PolarHBondContact O-N 2.98Å; E10-T14 PolarHBondContact O-OG1 3.14Å
11M92.2Very high87.3Confident127 Ų127119.1 Ų119.163%0.62658%0.584SS**Hα-helixtrans-65.1-50.7176.4-170.9-179.4-60.900111.5I7 Q8 Y9 Y13 T14 E15I7-M11 HydrophobicContact CG2-CE 4.45Å; I7-M11 VanDerWaalsContact O-CB 3.3Å; I7-M11 WeakPolarHBondContact O-CB 3.07Å; I7-M11 PolarHBondContact O-N 3.09Å; Q8-M11 PolarHBondContact O-N 2.8Å; Y9-M11 VanDerWaalsContact C-N 3.32Å; Y9-M11 PolarHBondContact O-N 2.65Å; M11-Y13 PolarHBondContact O-N 2.83Å; M11-T14 PolarHBondContact O-N 3.48Å; M11-E15 WeakPolarHBondContact O-CB 3.35Å; M11-E15 PolarHBondContact O-N 3.38Å
12E92.7Very high88.6Confident138 Ų138118.9 Ų118.965%0.64557%0.571SS**Hα-helixtrans-62.7-40.8177.4-175.9178.5-172.700111.8Q8 Y9 E15 G16Q8-E12 WeakPolarHBondContact O-CB 3.31Å; Q8-E12 PolarHBondContact O-N 3.23Å; Y9-E12 PolarHBondContact O-N 3.43Å; E12-E15 PolarHBondContact O-N 3.12Å; E12-G16 PolarHBondContact O-N 2.71Å
13Y93.7Very high89.4Confident140 Ų140121.3 Ų121.355%0.54958%0.577SS.*Hα-helixtrans-63-45.4176.7-178.8-94.1000111.7Y9 M11 G16 I17Y9-Y13 VanDerWaalsContact O-CB 3.23Å; Y9-Y13 WeakPolarHBondContact O-CB 3.31Å; Y9-Y13 PolarHBondContact O-N 2.72Å; M11-Y13 PolarHBondContact O-N 2.83Å; Y13-G16 PolarHBondContact O-N 3.24Å; Y13-I17 HydrophobicContact CE1-CG2 4.42Å; Y13-I17 WeakPolarHBondContact O-CB 3.45Å; Y13-I17 VanDerWaalsContact O-CG2 3.3Å; Y13-I17 WeakPolarHBondContact O-CG2 3.3Å; Y13-I17 PolarHBondContact O-N 2.85Å
14T92.3Very high89.9Confident89 Ų89117.9 Ų117.955%0.54657%0.569SS.*Hα-helixtrans-63.1-45179.3-590000111E10 M11 I17 S18E10-T14 VanDerWaalsContact O-CB 3.3Å; E10-T14 WeakPolarHBondContact O-CB 3.38Å; E10-T14 PolarHBondContact O-N 2.98Å; E10-T14 PolarHBondContact O-OG1 3.14Å; M11-T14 PolarHBondContact O-N 3.48Å; T14-I17 WeakPolarHBondContact O-CG2 3.23Å; T14-S18 VanDerWaalsContact O-CB 3.31Å; T14-S18 WeakPolarHBondContact O-CB 3.48Å; T14-S18 PolarHBondContact O-N 3.36Å; T14-S18 VanDerWaalsContact O-N 3.13Å; T14-S18 PolarHBondContact O-OG 3.11Å
15E92.4Very high90.2Very high112 Ų112120.9 Ų120.952%0.52358%0.58SS.*Hα-helixtrans-63.1-51.2175.9-176.7178.3178.500110.9M11 E12 I17 S18 Q19M11-E15 WeakPolarHBondContact O-CB 3.35Å; M11-E15 PolarHBondContact O-N 3.38Å; E12-E15 PolarHBondContact O-N 3.12Å; E15-I17 PolarHBondContact O-N 3.09Å; E15-S18 PolarHBondContact O-N 2.9Å; E15-S18 PolarHBondContact O-OG 3.38Å; E15-Q19 WeakPolarHBondContact O-CG 3.3Å; E15-Q19 PolarHBondContact O-N 3.37Å; E15-Q19 VanDerWaalsContact O-N 3.11Å; E15-Q19 PolarHBondContact OE1-NE2 3.33Å; E15-Q19 VanDerWaalsContact OE1-NE2 3.14Å
16G93.9Very high90.3Very high25 Ų25124.7 Ų124.726%0.25859%0.588SS.*Hα-helixtrans-61.2-40.9-177.500000113.4E12 Y13 R20E12-G16 PolarHBondContact O-N 2.71Å; Y13-G16 PolarHBondContact O-N 3.24Å; G16-R20 VanDerWaalsContact O-CG 3.31Å; G16-R20 WeakPolarHBondContact O-CG 3.47Å; G16-R20 PolarHBondContact O-N 3.39Å
17I93.2Very high90.1Very high56 Ų56124.7 Ų124.729%0.28760%0.599SS.*Hα-helixtrans-72.2-35178.9-159.667.4000111.7Y13 T14 E15 Q19 R20 M21Y13-I17 HydrophobicContact CE1-CG2 4.42Å; Y13-I17 WeakPolarHBondContact O-CB 3.45Å; Y13-I17 VanDerWaalsContact O-CG2 3.3Å; Y13-I17 WeakPolarHBondContact O-CG2 3.3Å; Y13-I17 PolarHBondContact O-N 2.85Å; T14-I17 WeakPolarHBondContact O-CG2 3.23Å; E15-I17 PolarHBondContact O-N 3.09Å; I17-Q19 VanDerWaalsContact C-N 3.34Å; I17-Q19 PolarHBondContact O-N 2.88Å; I17-R20 PolarHBondContact O-N 3.47Å; I17-M21 HydrophobicContact CD1-CE 4.1Å; I17-M21 HydrophobicContact CD1-CG 3.95Å; I17-M21 HydrophobicContact CD1-SD 3.75Å; I17-M21 HydrophobicContact CG1-CE 3.45Å; I17-M21 VanDerWaalsContact CG1-CE 3.45Å; I17-M21 HydrophobicContact CG1-CG 4.09Å; I17-M21 HydrophobicContact CG1-SD 3.81Å; I17-M21 WeakPolarHBondContact O-CB 3.31Å; I17-M21 PolarHBondContact O-N 3.42Å
18S91.1Very high89.8Confident71 Ų71129.6 Ų129.650%0.49762%0.617SS.*Hα-helixtrans-65.7-35.8177.275.60000112.8T14 E15T14-S18 VanDerWaalsContact O-CB 3.31Å; T14-S18 WeakPolarHBondContact O-CB 3.48Å; T14-S18 PolarHBondContact O-N 3.36Å; T14-S18 VanDerWaalsContact O-N 3.13Å; T14-S18 PolarHBondContact O-OG 3.11Å; E15-S18 PolarHBondContact O-N 2.9Å; E15-S18 PolarHBondContact O-OG 3.38Å
19Q90.9Very high89.4Confident127 Ų127129.1 Ų129.159%0.59362%0.623SS**Hα-helixtrans-72.4-38.3177.2-67.1-179.722.600112.2E15 I17E15-Q19 WeakPolarHBondContact O-CG 3.3Å; E15-Q19 PolarHBondContact O-N 3.37Å; E15-Q19 VanDerWaalsContact O-N 3.11Å; E15-Q19 PolarHBondContact OE1-NE2 3.33Å; E15-Q19 VanDerWaalsContact OE1-NE2 3.14Å; I17-Q19 VanDerWaalsContact C-N 3.34Å; I17-Q19 PolarHBondContact O-N 2.88Å
20R90.7Very high88.7Confident217 Ų217125.7 Ų125.782%0.81963%0.626SS**Hα-helixtrans-77.1-37-178.4-69176.3-174.2-170.33.5113.6G16 I17 R22G16-R20 VanDerWaalsContact O-CG 3.31Å; G16-R20 WeakPolarHBondContact O-CG 3.47Å; G16-R20 PolarHBondContact O-N 3.39Å; I17-R20 PolarHBondContact O-N 3.47Å; R20-R22 VanDerWaalsContact C-N 3.33Å; R20-R22 PolarHBondContact O-N 3.13Å
21M92.7Very high87.3Confident137 Ų137126.9 Ų126.968%0.67564%0.641SS**THydrogen-bonded Turntrans-96.629.1-177.7-56.1-166.2-46.800112.9I17 V23I17-M21 HydrophobicContact CD1-CE 4.1Å; I17-M21 HydrophobicContact CD1-CG 3.95Å; I17-M21 HydrophobicContact CD1-SD 3.75Å; I17-M21 HydrophobicContact CG1-CE 3.45Å; I17-M21 VanDerWaalsContact CG1-CE 3.45Å; I17-M21 HydrophobicContact CG1-CG 4.09Å; I17-M21 HydrophobicContact CG1-SD 3.81Å; I17-M21 WeakPolarHBondContact O-CB 3.31Å; I17-M21 PolarHBondContact O-N 3.42Å; M21-V23 PolarHBondContact O-N 2.82Å
22R88.7Confident85.8Confident206 Ų206126.7 Ų126.778%0.77765%0.649SS**PPolyproline II helixtrans-72.3122.6-179.1-172.2173.6-179.71790.1110.5R20 P24R20-R22 VanDerWaalsContact C-N 3.33Å; R20-R22 PolarHBondContact O-N 3.13Å; R22-P24 WeakPolarHBondContact O-CD 3.49Å
23V88.7Confident83.6Confident129 Ų129127.6 Ų127.678%0.78266%0.658SS**PPolyproline II helixtrans-63124.3172.1-178.40000108.8M21M21-V23 PolarHBondContact O-N 2.82Å
24P89.5Confident81.6Confident86 Ų86125.4 Ų125.456%0.55867%0.67SS**PPolyproline II helixtrans-62145.2177.6-21.732.5000111.9R22 K26R22-P24 WeakPolarHBondContact O-CD 3.49Å; P24-K26 VanDerWaalsContact C-N 3.33Å
25E86.4Confident79.4Confident183 Ų183128.6 Ų128.686%0.85568%0.683SS**SBendtrans-68.6-33.2176.7-168.3-168.7147.400112.3
26K84.9Confident77.3Confident148 Ų148131.1 Ų131.164%0.64370%0.699SS**SBendtrans-141135.2180-61.1-177.9-175.4177.90110.1P24P24-K26 VanDerWaalsContact C-N 3.33Å
27L82.4Confident74.6Confident160 Ų160139.1 Ų139.184%0.83873%0.73SS**  trans-84.5114.8171.3-59.6177.2000108.4
28K80.8Confident72.2Confident202 Ų202144.6 Ų144.688%0.87875%0.754SS**PPolyproline II helixtrans-87.8120.7170.8-66.2-176.7179.3-178.20108.1A30K28-A30 PolarHBondContact O-N 3.48Å
29V78.5Confident69.6Low121 Ų121144.8 Ų144.873%0.73377%0.768SS**PPolyproline II helixtrans-72.6123.4164.8-176.60000105.9
30A74.5Confident67.3Low80 Ų80147.1 Ų147.166%0.66178%0.776SS**PPolyproline II helixtrans-54.2130.9176.400000108.6K28K28-A30 PolarHBondContact O-N 3.48Å
31P63.2Low64.9Low110 Ų110145.4 Ų145.471%0.71478%0.778SS**PPolyproline II helixtrans-57.3137.4173.922.5-29.4000108.1N33P31-N33 PolarHBondContact O-N 3.21Å
32P60.5Low62.5Low124 Ų124148.6 Ų148.681%0.80579%0.791SS**PPolyproline II helixtrans-56133.8176.724.9-32.3000107.9A34P32-A34 PolarHBondContact O-N 3.47Å
33N47.2Very low60.2Low156 Ų156142 Ų14283%0.83479%0.786SS**  trans-39.4123.2-172.6-64.5-48.9000111.7P31 D35P31-N33 PolarHBondContact O-N 3.21Å; N33-D35 VanDerWaalsContact C-N 3.3Å; N33-D35 PolarHBondContact O-N 3.4Å
34A50.3Low58.3Low95 Ų95142 Ų14279%0.78579%0.787SS**SBendtrans-70.784.317800000110P32P32-A34 PolarHBondContact O-N 3.47Å
35D47.1Very low56.5Low156 Ų156143 Ų14383%0.83479%0.793SS**  trans-109.510.6152.5-77.6-26000111.3N33N33-D35 VanDerWaalsContact C-N 3.3Å; N33-D35 PolarHBondContact O-N 3.4Å
36L47.5Very low54.7Low164 Ų164140.4 Ų140.486%0.85979%0.785SS**  trans-121.787.1176.5-76.1161.5000110.4Q38L36-Q38 PolarHBondContact O-N 2.7Å
37E36.9Very low53.4Low194 Ų194138.1 Ų138.191%0.90779%0.794SS**  trans-38.597.5155.1-66.1-83.2112.600111.5
38Q43.4Very low52.2Low170 Ų170134.8 Ų134.879%0.79478%0.784SS**  trans-157.4107.2153.5-133.2166.19.400111.3L36 F40L36-Q38 PolarHBondContact O-N 2.7Å; Q38-F40 PolarHBondContact O-N 2.98Å
39G37.2Very low51.4Low75 Ų75130.6 Ų130.677%0.77378%0.775SS**  trans-59.8121.7178.900000112.4
40F42.6Very low51.1Low176 Ų176131.3 Ų131.377%0.77277%0.773SS**  trans-138.792.6157.1-81.9-80000109.5Q38Q38-F40 PolarHBondContact O-N 2.98Å
41Q39.8Very low51.1Low182 Ų182135.7 Ų135.785%0.8578%0.782SS**  trans27.1104141.7-61.2-173.567.100117.6G43Q41-G43 PolarHBondContact O-N 3.13Å
42E41.3Very low51.9Low204 Ų204138.5 Ų138.595%0.95379%0.786SS**SBend-5.5110.9129.4-164.4166.1-157.600114.4
43G42.2Very low52.7Low66 Ų66138.6 Ų138.668%0.6878%0.784SS**  trans1550.2165.900000120.9Q41Q41-G43 PolarHBondContact O-N 3.13Å
44V47.1Very low54.4Low131 Ų131135.6 Ų135.679%0.79477%0.772SS**  trans-130.3100.5177.9-165.80000111.6
45P52.5Low55.9Low106 Ų106140.2 Ų140.269%0.68878%0.778SS**SBendtrans-72.3135.8171.731.2-29.4000107.5
46N49.8Very low57.5Low129 Ų129141.7 Ų141.769%0.6977%0.772SS**  trans87.762.5-176.2-38.1-37.8000113.6S48N46-S48 PolarHBondContact O-N 2.7Å
47A56Low59Low100 Ų100141.7 Ų141.783%0.82677%0.771SS**  trans-64.273145.200000108.1V49A47-V49 PolarHBondContact O-N 2.91Å; A47-V49 VanDerWaalsContact O-N 3.09Å
48S58.5Low60.9Low89 Ų89137.6 Ų137.662%0.62276%0.759SS**  trans-61.8111.9166.353.90000105.8N46 I50N46-S48 PolarHBondContact O-N 2.7Å; S48-I50 VanDerWaalsContact C-N 3.3Å; S48-I50 PolarHBondContact O-N 2.99Å
49V64.2Low62.5Low115 Ų115135.8 Ų135.870%0.69776%0.759SS**  trans-57.9100.6169.5175.80000106.1A47 M51A47-V49 PolarHBondContact O-N 2.91Å; A47-V49 VanDerWaalsContact O-N 3.09Å; V49-M51 PolarHBondContact O-N 3.4Å; V49-M51 VanDerWaalsContact O-N 3.11Å
50I70.6Confident63.9Low136 Ų136136.6 Ų136.670%0.69776%0.758SS**  trans-67.1111.2172.546.5165.4000106.4S48 Q52S48-I50 VanDerWaalsContact C-N 3.3Å; S48-I50 PolarHBondContact O-N 2.99Å; I50-Q52 PolarHBondContact O-N 3.46Å
51M76.1Confident64.8Low172 Ų172131.3 Ų131.385%0.84775%0.754SS**  trans-71.199.1172.5-65.4-168.7-62.500107.4V49 V53V49-M51 PolarHBondContact O-N 3.4Å; V49-M51 VanDerWaalsContact O-N 3.11Å; M51-V53 PolarHBondContact O-N 3.29Å
52Q78.1Confident65.5Low169 Ų169129.1 Ų129.179%0.7975%0.748SS**  trans-85.5102.2176.7-163.4166.13.900108.8I50 P54I50-Q52 PolarHBondContact O-N 3.46Å; Q52-P54 WeakPolarHBondContact O-CD 3.29Å
53V78.1Confident65.8Low126 Ų126125.6 Ų125.676%0.76474%0.736SS**  trans-78.8118176.3-179.20000108.5M51M51-V53 PolarHBondContact O-N 3.29Å
54P82.1Confident66.3Low92 Ų92130.3 Ų130.360%0.59774%0.74SS**  trans-68144.7178.1-16.230.1000111.4Q52 R56Q52-P54 WeakPolarHBondContact O-CD 3.29Å; P54-R56 VanDerWaalsContact C-N 3.32Å; P54-R56 PolarHBondContact O-N 3.4Å
55E82.8Confident66.2Low193 Ų193131.5 Ų131.590%0.90274%0.742SS**SBendtrans-71.4-25.7175.8-64.3-178.3168.300113
56R80.8Confident66.2Low187 Ų187131.8 Ų131.871%0.70674%0.742SS**  trans-150.1136176.463.7178.8-175.9-88.5-0.3111.5P54 V58P54-R56 VanDerWaalsContact C-N 3.32Å; P54-R56 PolarHBondContact O-N 3.4Å; R56-V58 HydrophobicContact CG-CG2 4.11Å
57I77.9Confident66.2Low163 Ų163131 Ų13184%0.83675%0.746SS**  trans-91.6115.3170.4-57.7172.5000106.7
58V77.2Confident66Low108 Ų108136.6 Ų136.666%0.65575%0.752SS**  trans-101.1122.1175.7-177.10000108.1R56 A60R56-V58 HydrophobicContact CG-CG2 4.11Å; V58-A60 PolarHBondContact O-N 2.91Å; V58-A60 VanDerWaalsContact O-N 3.15Å
59V78.3Confident65.4Low132 Ų132136.5 Ų136.580%0.875%0.752SS**  trans-74.6101.2171.2-179.70000107.2G61V59-G61 PolarHBondContact O-N 3.38Å; V59-G61 VanDerWaalsContact O-N 3.12Å
60A66.4Low64.8Low92 Ų92138.8 Ų138.876%0.7675%0.748SS**  trans-71.4103.2169.700000108V58V58-A60 PolarHBondContact O-N 2.91Å; V58-A60 VanDerWaalsContact O-N 3.15Å
61G61.5Low63.9Low66 Ų66137.7 Ų137.768%0.6875%0.749SS**  trans-61.3138.1166.400000109.6V59V59-G61 PolarHBondContact O-N 3.38Å; V59-G61 VanDerWaalsContact O-N 3.12Å
62N54.2Low63Low136 Ų136133.6 Ų133.673%0.72774%0.743SS**SBendtrans-65.2135.4-179.552.1-10.2000112.2
63N46.8Very low61.4Low130 Ų130132.8 Ų132.870%0.69574%0.744SS**SBendtrans73.1121.4160.8-51-42.1000117.1
64E52.4Low60.1Low164 Ų164132.2 Ų132.277%0.76674%0.736SS**SBendtrans53105.715368.3-142.3147.800118.9
65D46.8Very low58.4Low156 Ų156132.8 Ų132.883%0.83473%0.734SS**  trans68.767.4144.5-52.7-27.1000119
66V52.4Low56.9Low113 Ų113131.3 Ų131.369%0.68573%0.732SS**  trans-141.6107149.3-1630000113.1F68 S69V66-F68 PolarHBondContact O-N 2.88Å; V66-F68 VanDerWaalsContact O-N 3.11Å; V66-S69 WeakPolarHBondContact CG1-OG 3.41Å
67S48.9Very low55.6Low112 Ų112127.9 Ų127.978%0.78373%0.726SS**  trans-50.7106.5161.7-52.40000111S69S67-S69 PolarHBondContact O-N 3.48Å
68F52.7Low54.4Low218 Ų218126 Ų12696%0.95671%0.714SS**SBendtrans32.255.3161.6-65.9-82.8000116.8V66V66-F68 PolarHBondContact O-N 2.88Å; V66-F68 VanDerWaalsContact O-N 3.11Å
69S45.2Very low53Low87 Ų87125.6 Ų125.661%0.60872%0.716SS**  trans-106.385.6165.860.70000110.2V66 S67V66-S69 WeakPolarHBondContact CG1-OG 3.41Å; S67-S69 PolarHBondContact O-N 3.48Å
70R52Low51.7Low163 Ų163124 Ų12462%0.61571%0.707SS**  trans9.4118.3142.7178170.9-82.6-173.3-14.8115.8A72 Q78R70-A72 PolarHBondContact O-N 2.97Å; R70-Q78 VanDerWaalsContact NH2-CD 3.25Å
71P51.7Low50.9Low112 Ų112125.2 Ų125.273%0.72771%0.707SS**  trans-62.4123.4170.225.7-30.8000109.6D73P71-D73 VanDerWaalsContact C-N 3.26Å; P71-D73 PolarHBondContact O-N 2.7Å; P71-D73 VanDerWaalsContact O-N 3.17Å
72A56.1Low50.6Low87 Ų87131.9 Ų131.972%0.71972%0.717SS**THydrogen-bonded Turntrans-84.330-168.800000114.6R70R70-A72 PolarHBondContact O-N 2.97Å
73D45Very low50.6Low151 Ų151133.7 Ų133.781%0.80772%0.719SS**THydrogen-bonded Turntrans-148.831.3178.8-147.98.3000114.1P71P71-D73 VanDerWaalsContact C-N 3.26Å; P71-D73 PolarHBondContact O-N 2.7Å; P71-D73 VanDerWaalsContact O-N 3.17Å
74L50.6Low51.2Low114 Ų114132.9 Ų132.960%0.59772%0.721SS**  trans-122.342.7164.3-153.965.9000110.6L76 I77L74-L76 PolarHBondContact O-N 2.96Å; L74-I77 HydrophobicContact CD1-CD1 4.19Å; L74-I77 HydrophobicContact CD2-CD1 3.54Å; L74-I77 HydrophobicContact CD2-CG1 4.39Å; L74-I77 HydrophobicContact CG-CD1 3.68Å; L74-I77 HydrophobicContact CG-CG1 4.04Å; L74-I77 PolarHBondContact O-N 3.32Å
75D47.1Very low51.4Low105 Ų105132 Ų13256%0.56172%0.72SS**THydrogen-bonded Turntrans-72.7-3.5179.5-72.3-10.9000113.1I77D75-I77 VanDerWaalsContact C-N 3.27Å; D75-I77 PolarHBondContact O-N 3.04Å
76L51Low52.1Low161 Ų161129.2 Ų129.284%0.84372%0.719SS**THydrogen-bonded Turntrans-73-14.9170.9-117.281.6000113.9L74L74-L76 PolarHBondContact O-N 2.96Å
77I53.5Low52.5Low116 Ų116131.2 Ų131.260%0.59573%0.725SS**SBendtrans-103.8-7.2-174.4-45.7-178.3000112.3L74 D75L74-I77 HydrophobicContact CD1-CD1 4.19Å; L74-I77 HydrophobicContact CD2-CD1 3.54Å; L74-I77 HydrophobicContact CD2-CG1 4.39Å; L74-I77 HydrophobicContact CG-CD1 3.68Å; L74-I77 HydrophobicContact CG-CG1 4.04Å; L74-I77 PolarHBondContact O-N 3.32Å; D75-I77 VanDerWaalsContact C-N 3.27Å; D75-I77 PolarHBondContact O-N 3.04Å
78Q53.3Low53.5Low122 Ų122134.9 Ų134.957%0.5773%0.727SS**SBendtrans-102.6-5.8-173.8-127.5-162.8-30.400116.6R70R70-Q78 VanDerWaalsContact NH2-CD 3.25Å
79S46.6Very low54.4Low100 Ų100130 Ų13070%0.69972%0.715SS**SBendtrans-105.90.6-17861.80000115.6
80T50.8Low55.5Low100 Ų100131.1 Ų131.161%0.61372%0.72SS**SBendtrans-101.8110.3164.360.90000109F82T80-F82 PolarHBondContact O-N 3.48Å; T80-F82 VanDerWaalsContact O-N 3.12Å
81P50.2Low56.4Low117 Ų117127.7 Ų127.776%0.7672%0.719SS**  trans-51.4127.317020.5-29.9000107.4K83P81-K83 VanDerWaalsContact C-N 3.27Å; P81-K83 PolarHBondContact O-N 3.25Å
82F54.6Low57.4Low206 Ų206134.3 Ų134.390%0.90473%0.73SS**  trans-36.889.9-177.7-69-92.1000110.5T80 P84T80-F82 PolarHBondContact O-N 3.48Å; T80-F82 VanDerWaalsContact O-N 3.12Å; F82-P84 WeakPolarHBondContact O-CD 3.35Å; F82-P84 VanDerWaalsContact O-N 3.11Å
83K54.7Low57.7Low174 Ų174135.1 Ų135.176%0.75773%0.726SS**  trans-69.6109.8165.1-177.5163.4-178.1159.40101.4P81 L85P81-K83 VanDerWaalsContact C-N 3.27Å; P81-K83 PolarHBondContact O-N 3.25Å; K83-L85 VanDerWaalsContact C-N 3.25Å; K83-L85 PolarHBondContact O-N 3.44Å
84P58.7Low58.7Low113 Ų113135 Ų13573%0.73472%0.724SS**  trans-56.3106.517424.1-30.9000104.1F82 A86F82-P84 WeakPolarHBondContact O-CD 3.35Å; F82-P84 VanDerWaalsContact O-N 3.11Å; P84-A86 VanDerWaalsContact C-N 3.28Å; P84-A86 PolarHBondContact O-N 3.47Å
85L58.3Low59.5Low144 Ų144133.1 Ų133.175%0.75472%0.718SS**  trans-56.3110.2170.7-69173.6000102.3K83 L87K83-L85 VanDerWaalsContact C-N 3.25Å; K83-L85 PolarHBondContact O-N 3.44Å; L85-L87 PolarHBondContact O-N 3.5Å
86A61.1Low60.2Low98 Ų98137 Ų13781%0.8174%0.737SS**  trans-66.887.6177.800000104.9P84 K88P84-A86 VanDerWaalsContact C-N 3.28Å; P84-A86 PolarHBondContact O-N 3.47Å; A86-K88 VanDerWaalsContact C-N 3.27Å; A86-K88 PolarHBondContact O-N 3.14Å
87L61.4Low60.7Low155 Ų155134.3 Ų134.381%0.81273%0.732SS**  trans-6597.7175.1-65.6176.7000105L85 T89L85-L87 PolarHBondContact O-N 3.5Å; L87-T89 PolarHBondContact O-N 3.45Å; L87-T89 VanDerWaalsContact O-N 3.09Å
88K69.2Low60.8Low190 Ų190136.4 Ų136.483%0.82674%0.739SS**PPolyproline II helixtrans-59.2118.2174.6-171.879.5176.2-169.30105.9A86A86-K88 VanDerWaalsContact C-N 3.27Å; A86-K88 PolarHBondContact O-N 3.14Å
89T72Confident61.3Low116 Ų116141.5 Ų141.571%0.71275%0.753SS**PPolyproline II helixtrans-54.3131.3175.831.80000109L87L87-T89 PolarHBondContact O-N 3.45Å; L87-T89 VanDerWaalsContact O-N 3.09Å
90P67.3Low61.7Low110 Ų110142.1 Ų142.171%0.71476%0.755SS**PPolyproline II helixtrans-59.9141.5-174.921.6-31.1000110.2R92P90-R92 PolarHBondContact O-N 3.07Å
91P72.1Confident61.8Low91 Ų91143.5 Ų143.559%0.59176%0.757SS**PPolyproline II helixtrans-59.3135-176.323.3-32.5000110.5V93 L94P91-V93 PolarHBondContact O-N 2.87Å; P91-V93 VanDerWaalsContact O-N 3.17Å; P91-L94 HydrophobicContact CG-CD2 3.94Å
92R71.4Confident61.7Low250 Ų250145.3 Ų145.394%0.94376%0.761SS**SBendtrans-66.6-16.3-175.4-68.9-176.1177.3128.3-1.4113.8P90P90-R92 PolarHBondContact O-N 3.07Å
93V63.5Low61.7Low105 Ų105143.4 Ų143.464%0.63675%0.753SS**  trans-140.4121.1177.4-170.50000108.1P91 T95P91-V93 PolarHBondContact O-N 2.87Å; P91-V93 VanDerWaalsContact O-N 3.17Å; V93-T95 HydrophobicContact CB-CG2 4.49Å; V93-T95 HydrophobicContact CG1-CG2 3.56Å; V93-T95 PolarHBondContact O-N 2.89Å
94L64.3Low61.2Low149 Ų149141.8 Ų141.878%0.7875%0.751SS**  trans-88.495.2169.3-59.6174.2000106.9P91P91-L94 HydrophobicContact CG-CD2 3.94Å
95T68.5Low60.4Low74 Ų74144.6 Ų144.645%0.45476%0.76SS.*  trans-94.3129172.455.60000109.3V93 S97V93-T95 HydrophobicContact CB-CG2 4.49Å; V93-T95 HydrophobicContact CG1-CG2 3.56Å; V93-T95 PolarHBondContact O-N 2.89Å; T95-S97 PolarHBondContact O-N 2.92Å
96L61.3Low59.8Low187 Ų187145 Ų14598%0.97976%0.762SS**THydrogen-bonded Turntrans-74.70.3-177.8-63.3177.1000113.9
97S62.7Low58.4Low103 Ų103148.8 Ų148.872%0.7276%0.763SS**THydrogen-bonded Turntrans-99.8-17.1-171.255.60000114.6T95T95-S97 PolarHBondContact O-N 2.92Å
98E54.6Low57.4Low161 Ų161152.8 Ų152.875%0.75277%0.768SS**SBendtrans-107.6103.1-177.5-68.2-174.6-170.100109.7
99R63.4Low55.7Low228 Ų228148.7 Ų148.786%0.8676%0.76SS**  trans29.4124.6160.1-92.6176.6173.1130.2-2.2118.1L101R99-L101 PolarHBondContact O-N 3.33Å
100P55.1Low53.9Low113 Ų113149.1 Ų149.173%0.73477%0.765SS**  trans-54.5132.2174.626.1-33.2000109.6D102P100-D102 PolarHBondContact O-N 2.74Å
101L54.3Low52.7Low129 Ų129150.7 Ų150.768%0.67577%0.773SS**  trans-50.2106.3174-110.241000108.5R99 F103R99-L101 PolarHBondContact O-N 3.33Å; L101-F103 HydrophobicContact CB-CD2 3.62Å; L101-F103 HydrophobicContact CB-CE2 3.77Å; L101-F103 HydrophobicContact CB-CG 4.43Å; L101-F103 HydrophobicContact CD2-CD2 3.87Å; L101-F103 HydrophobicContact CD2-CE2 3.08Å; L101-F103 HydrophobicContact CD2-CZ 3.61Å; L101-F103 HydrophobicContact CG-CD2 3.94Å; L101-F103 HydrophobicContact CG-CE2 3.57Å; L101-F103 HydrophobicContact CG-CZ 4.03Å; L101-F103 PolarHBondContact O-N 2.78Å
102D48.2Very low50.9Low156 Ų156152.9 Ų152.983%0.83479%0.785SS**  trans-65.672.8163.9-73.2-26.9000107.6P100 L104P100-D102 PolarHBondContact O-N 2.74Å; D102-L104 PolarHBondContact O-N 3.17Å
103F53.8Low49.6Very low166 Ų166146.7 Ų146.773%0.72878%0.777SS**  trans-75.281.8165.2-81.5-62.1000107.4L101L101-F103 HydrophobicContact CB-CD2 3.62Å; L101-F103 HydrophobicContact CB-CE2 3.77Å; L101-F103 HydrophobicContact CB-CG 4.43Å; L101-F103 HydrophobicContact CD2-CD2 3.87Å; L101-F103 HydrophobicContact CD2-CE2 3.08Å; L101-F103 HydrophobicContact CD2-CZ 3.61Å; L101-F103 HydrophobicContact CG-CD2 3.94Å; L101-F103 HydrophobicContact CG-CE2 3.57Å; L101-F103 HydrophobicContact CG-CZ 4.03Å; L101-F103 PolarHBondContact O-N 2.78Å
104L44.9Very low48.4Very low139 Ų139150.7 Ų150.773%0.72879%0.789SS**  trans37.694.8141.3-72.4154.8000113.5D102 L106D102-L104 PolarHBondContact O-N 3.17Å; L104-L106 PolarHBondContact O-N 2.8Å
105D41.5Very low46.9Very low173 Ų173150.8 Ų150.893%0.92579%0.79SS**  trans-48.878.8147.9-73.4-41.1000109.4E107D105-E107 PolarHBondContact O-N 2.81Å; D105-E107 VanDerWaalsContact O-N 3.13Å
106L45.5Very low45.5Very low151 Ų151156 Ų15679%0.79181%0.809SS**  trans-86.777.6167.9-144.673.4000106.9L104L104-L106 PolarHBondContact O-N 2.8Å
107E32.3Very low44.3Very low178 Ų178154.1 Ų154.183%0.83280%0.795SS**  trans52.286.1137.8-147.5-174.3-167.900115.6D105D105-E107 PolarHBondContact O-N 2.81Å; D105-E107 VanDerWaalsContact O-N 3.13Å
108R39Very low43Very low240 Ų240155.3 Ų155.391%0.90679%0.792SS**  trans-113.9116.2153.6-170.4174-74.5171.7-2.4108.8
109P34.3Very low42.5Very low104 Ų104158.7 Ų158.768%0.67580%0.798SS**  trans-67.7156.8-178.922.1-25.3000112.1
110P34.5Very low41.2Very low125 Ų125152.4 Ų152.481%0.81280%0.795SS**  trans-79.7132.1-157.431.5-33.6000112
111T40.8Very low40.6Very low142 Ų142153.8 Ų153.887%0.87180%0.801SS**  trans-125.3143156.748.50000109.4
112T36.1Very low39.8Very low138 Ų138150.6 Ų150.685%0.84780%0.8SS**  trans-84.5171.3-152.337.80000115.2
113P42.3Very low39.3Very low119 Ų119153.9 Ų153.977%0.77380%0.8SS**  trans-105.4150.1-15238.9-31.9000115.6
114Q39.3Very low38.5Very low190 Ų190152.8 Ų152.889%0.88880%0.801SS**  trans-157.4106.2155.3-93.9-179.9-12.400104.4
115N32.7Very low38.3Very low151 Ų151155 Ų15581%0.80781%0.805SS**  54.794.556.1-144.920.6000113.2
116E40Very low38.5Very low182 Ų182155.2 Ų155.285%0.8579%0.793SS**  trans-172.9101142.3-100.5-173.5174.700107
117E34.6Very low38.6Very low148 Ų148156.8 Ų156.869%0.69280%0.796SS**  80.1116.481.2-95.7-160131.300116
118I35.3Very low39.3Very low128 Ų128157.4 Ų157.466%0.65679%0.791SS**  trans70.6108.6137.9-46.9158.1000118.6
119R45.4Very low39.9Very low232 Ų232151.5 Ų151.588%0.87579%0.787SS**  -167.999.2107.6-106.4-174179.9106.8-1.6111.8
120A34.9Very low40.1Very low97 Ų97154.4 Ų154.480%0.80279%0.793SS**  trans-81.3121.7156.500000109.5
121V43Very low40.2Very low142 Ų142153.5 Ų153.586%0.86179%0.79SS**  trans-161.2125.4152.7-1700000105.3
122G37.1Very low40.2Very low62 Ų62155 Ų15564%0.63979%0.787SS**  cis139.5110.518.400000108.5
123R36.9Very low40.4Very low225 Ų225155.9 Ų155.985%0.84979%0.786SS**  trans59.7122.3139.9-83-174.2144.8175.8-4121.5
124L37Very low40.3Very low143 Ų143154.5 Ų154.575%0.74979%0.785SS**  68125.4122.1-60.1169.1000118.4
125K41.8Very low40.3Very low186 Ų186151.6 Ų151.681%0.80978%0.78SS**  171103.699.8-176.2167.5174.8-176.70111.1
126R44.6Very low40.9Very low177 Ų177155.7 Ų155.767%0.66878%0.784SS**  trans-5.2129.2141.1-179.8-163.6-153.7108-15.4115.1
127E48.8Very low41Very low183 Ų183156.3 Ų156.386%0.85579%0.787SS**  trans-138.6138.1136.3-72.6-133.6153.900110.4
128R46.9Very low41Very low191 Ų191157.1 Ų157.172%0.72180%0.796SS**  trans-110.4133.8177.3-61.6171.8172.6-173.8-9106.1
129S51.2Low41.2Very low117 Ų117154.4 Ų154.482%0.81880%0.799SS**  trans-169.9100.4151-144.90000106.8
130M39.5Very low40.7Very low165 Ų165151.9 Ų151.981%0.81380%0.797SS**  50121.288.4-63.8-153.684.800115.5
131S36Very low41Very low106 Ų106153.4 Ų153.474%0.74179%0.791SS**  trans65.5145.2148.164.80000116.9
132E41.3Very low41Very low174 Ų174153.3 Ų153.381%0.81379%0.791SS**  cis-168.5163.536.2-166.9169.7140.400109.5
133N38.9Very low41.4Very low156 Ų156159.4 Ų159.483%0.83480%0.795SS**  trans-51.4132.5176.6-63.9-54.3000115.1
134A41.5Very low41.8Very low89 Ų89154 Ų15474%0.73678%0.782SS**  trans-161.9100.8148.500000108.3
135V38.7Very low42Very low129 Ų129153.9 Ų153.978%0.78278%0.783SS**  56.910399.6177.50000112.5
136R45.5Very low42Very low237 Ų237149.2 Ų149.289%0.89477%0.773SS**  trans85.498.2160.8-55.7168.6102162.48.1117.5
137Q41.1Very low42.1Very low195 Ų195146.5 Ų146.591%0.91177%0.771SS**  -155.4118.1115.7-146.8172.421.400110.3
138N36.2Very low42.2Very low165 Ų165147.8 Ų147.888%0.88277%0.77SS**  trans-61.7137.8163.1-90-52.9000109.7
139G39.6Very low42Very low71 Ų71142 Ų14273%0.73277%0.77SS**  trans87.266.7147.900000117.1
140Q34.2Very low41.7Very low179 Ų179143 Ų14384%0.83677%0.765SS**SBendtrans-162.9120.6141.5-116.4175.8-70.200110.2
141L40.6Very low41.9Very low129 Ų129139.2 Ų139.268%0.67576%0.755SS**  trans62.269.2152.5-54.2171.4000116.5R143L141-R143 PolarHBondContact O-N 3.17Å
142V43.4Very low42.3Very low140 Ų140141.9 Ų141.985%0.84876%0.76SS**  trans-73.769.7141.5-178.50000107.2N144V142-N144 VanDerWaalsContact C-N 3.29Å
143R46.5Very low42.6Very low191 Ų191140.4 Ų140.472%0.72176%0.757SS**  trans-95.569.3158.9-174.4177.2-173.9152.41.2105.9L141L141-R143 PolarHBondContact O-N 3.17Å
144N43.5Very low42.3Very low110 Ų110139.3 Ų139.359%0.58875%0.751SS**  trans-151.286.7171.7-78.4-51.8000103.1V142V142-N144 VanDerWaalsContact C-N 3.29Å
145D41.5Very low42.1Very low141 Ų141141.5 Ų141.575%0.75476%0.755SS**SBend-156.815.3103.3-77.7-29.9000114.1L147D145-L147 VanDerWaalsContact C-N 3.28Å
146S43.4Very low42.1Very low88 Ų88140.8 Ų140.862%0.61575%0.752SS**SBendtrans-84.20.5171.258.60000114Y148S146-Y148 VanDerWaalsContact C-N 3.35Å; S146-Y148 PolarHBondContact O-N 3.42Å
147L45.5Very low42.1Very low120 Ų120136.8 Ų136.863%0.62875%0.746SS**THydrogen-bonded Turntrans-95.642.8177.4-144.981.2000113D145D145-L147 VanDerWaalsContact C-N 3.28Å
148Y51.7Low42.2Very low210 Ų210137 Ų13782%0.82475%0.747SS**THydrogen-bonded Turntrans-131.80.5162.6-74.4-71.5000113.3S146S146-Y148 VanDerWaalsContact C-N 3.35Å; S146-Y148 PolarHBondContact O-N 3.42Å
149G41.3Very low42.6Very low71 Ų71131.9 Ų131.973%0.73273%0.734SS**SBendtrans-99.5-15.9177.900000115.5
150I45.9Very low43Very low138 Ų138133.1 Ų133.171%0.70873%0.727SS**SBendtrans-127-7.9-165.7-54.3-175.7000114.5N152I150-N152 PolarHBondContact O-N 3.46Å
151S43.9Very low43.9Very low85 Ų85129 Ų12959%0.59472%0.718SS**THydrogen-bonded Turntrans-89.513.5-176.867.60000116.6
152N43.4Very low44.6Very low161 Ų161128.6 Ų128.686%0.86172%0.716SS**THydrogen-bonded Turntrans-114.13.9177.1-74.616.8000113.9I150I150-N152 PolarHBondContact O-N 3.46Å
153I48.2Very low45.2Very low143 Ų143127 Ų12773%0.73370%0.703SS**SBendtrans-111.47.3-172.4-121.7162.7000115.5
154D32.4Very low45.6Very low133 Ų133123.9 Ų123.971%0.71170%0.7SS**  trans-14978.3174.7-78.4-50.6000113
155T37.9Very low46.7Very low135 Ų135122.4 Ų122.483%0.82870%0.695SS**  trans-161.774.8142.852.20000105.4
156T37.8Very low47.8Very low115 Ų115120.4 Ų120.471%0.70669%0.688SS**  15.2128.896.358.90000113.8
157I46.1Very low49.2Very low153 Ų153121 Ų12179%0.78569%0.688SS**SBendtrans100.879.5170.7-51.6161.2000113.9G159I157-G159 PolarHBondContact O-N 3.49Å
158E43.6Very low51.1Low199 Ų199119.7 Ų119.793%0.9368%0.681SS**  51.866.4122.6-150.4174.7-161.700116.5
159G44Very low52.6Low58 Ų58111.9 Ų111.960%0.59866%0.66SS**  trans-137.2101.4167.900000109.9I157I157-G159 PolarHBondContact O-N 3.49Å
160T47.8Very low54.7Low96 Ų96110.6 Ų110.659%0.58964%0.643SS**  trans29.397153.450.20000116.3D162 D163T160-D162 PolarHBondContact O-N 3.32Å; T160-D163 PolarHBondContact O-N 3Å; T160-D163 PolarHBondContact OG1-OD2 2.95Å
161S53.5Low56.7Low93 Ų93105.8 Ų105.865%0.6562%0.622SS**Hα-helixtrans-41.5-30.1178.4-178.20000115.3L164 T165S161-L164 PolarHBondContact O-N 3.42Å; S161-T165 WeakPolarHBondContact O-CG2 3.42Å; S161-T165 PolarHBondContact O-N 3.29Å
162D55.9Low59Low120 Ų120106 Ų10664%0.64262%0.616SS**Hα-helixtrans-67.8-36.9-176.7-58.4-35.7000112.8T160 L164 T165 V166T160-D162 PolarHBondContact O-N 3.32Å; D162-L164 VanDerWaalsContact C-N 3.33Å; D162-L164 PolarHBondContact O-N 3.16Å; D162-T165 PolarHBondContact O-N 2.76Å; D162-T165 PolarHBondContact O-OG1 3.29Å; D162-V166 PolarHBondContact O-N 2.94Å
163D56Low61.4Low106 Ų106107 Ų10757%0.56761%0.607SS**Hα-helixtrans-69.6-33.8-178.8-71.3-44.7000111.8T160 T165 V166 V167T160-D163 PolarHBondContact O-N 3Å; T160-D163 PolarHBondContact OG1-OD2 2.95Å; D163-T165 VanDerWaalsContact C-N 3.33Å; D163-T165 PolarHBondContact O-N 3.05Å; D163-V166 PolarHBondContact O-N 3.47Å; D163-V167 VanDerWaalsContact O-CG2 3.31Å; D163-V167 WeakPolarHBondContact O-CG2 3.3Å; D163-V167 PolarHBondContact O-N 3.39Å; D163-V167 VanDerWaalsContact O-N 3.14Å
164L55.5Low63.4Low127 Ų127109.4 Ų109.467%0.66561%0.607SS**Hα-helixtrans-63.6-40.6175.1-176.761.2000111.1S161 D162 V167 D168S161-L164 PolarHBondContact O-N 3.42Å; D162-L164 VanDerWaalsContact C-N 3.33Å; D162-L164 PolarHBondContact O-N 3.16Å; L164-V167 PolarHBondContact O-N 3.31Å; L164-D168 VanDerWaalsContact O-CB 3.29Å; L164-D168 WeakPolarHBondContact O-CB 3.48Å; L164-D168 PolarHBondContact O-N 3.47Å
165T65.3Low66.3Low79 Ų79109.2 Ų109.249%0.48560%0.602SS.*Hα-helixtrans-68.2-35.3-179.5690000113.1S161 D162 D163 D168 A169S161-T165 WeakPolarHBondContact O-CG2 3.42Å; S161-T165 PolarHBondContact O-N 3.29Å; D162-T165 PolarHBondContact O-N 2.76Å; D162-T165 PolarHBondContact O-OG1 3.29Å; D163-T165 VanDerWaalsContact C-N 3.33Å; D163-T165 PolarHBondContact O-N 3.05Å; T165-D168 PolarHBondContact O-N 3.39Å; T165-A169 VanDerWaalsContact O-CB 3.3Å; T165-A169 WeakPolarHBondContact O-CB 3.47Å; T165-A169 PolarHBondContact O-N 3.04Å
166V64.2Low69Low99 Ų99107.5 Ų107.560%0.659%0.587SS**Hα-helixtrans-70.6-43.3177.61780000110.6D162 D163 D168 A169 A170D162-V166 PolarHBondContact O-N 2.94Å; D163-V166 PolarHBondContact O-N 3.47Å; V166-D168 VanDerWaalsContact C-N 3.31Å; V166-D168 PolarHBondContact O-N 3.06Å; V166-A169 PolarHBondContact O-N 3.5Å; V166-A170 PolarHBondContact O-N 3.25Å
167V74.2Confident71.7Confident101 Ų101107.8 Ų107.861%0.61258%0.583SS**Hα-helixtrans-61.4-43.3174.9173.20000110.1D163 L164 A170 S171D163-V167 VanDerWaalsContact O-CG2 3.31Å; D163-V167 WeakPolarHBondContact O-CG2 3.3Å; D163-V167 PolarHBondContact O-N 3.39Å; D163-V167 VanDerWaalsContact O-N 3.14Å; L164-V167 PolarHBondContact O-N 3.31Å; V167-A170 PolarHBondContact O-N 2.95Å; V167-S171 WeakPolarHBondContact O-CB 3.3Å; V167-S171 PolarHBondContact O-N 3.1Å
168D84.4Confident74Confident91 Ų91106.5 Ų106.549%0.48757%0.571SS.*Hα-helixtrans-66.1-44178.4-170.637.8000112.2L164 T165 V166 A170 S171 L172L164-D168 VanDerWaalsContact O-CB 3.29Å; L164-D168 WeakPolarHBondContact O-CB 3.48Å; L164-D168 PolarHBondContact O-N 3.47Å; T165-D168 PolarHBondContact O-N 3.39Å; V166-D168 VanDerWaalsContact C-N 3.31Å; V166-D168 PolarHBondContact O-N 3.06Å; D168-A170 VanDerWaalsContact C-N 3.3Å; D168-A170 PolarHBondContact O-N 2.87Å; D168-S171 CarbonylContact O-C 3.58Å; D168-S171 WeakPolarHBondContact O-CA 3.31Å; D168-S171 WeakPolarHBondContact O-CB 3.39Å; D168-S171 PolarHBondContact O-N 3.47Å; D168-S171 PolarHBondContact O-OG 3.43Å; D168-S171 PolarHBondContact OD1-OG 2.78Å; D168-L172 VanDerWaalsContact O-CB 3.31Å; D168-L172 WeakPolarHBondContact O-CB 3.45Å; D168-L172 PolarHBondContact O-N 2.86Å
169A83.9Confident76.4Confident47 Ų47102.7 Ų102.739%0.38856%0.557SS.*Hα-helixtrans-60.2-39176.400000112.4T165 V166 R173T165-A169 VanDerWaalsContact O-CB 3.3Å; T165-A169 WeakPolarHBondContact O-CB 3.47Å; T165-A169 PolarHBondContact O-N 3.04Å; V166-A169 PolarHBondContact O-N 3.5Å; A169-R173 VanDerWaalsContact O-CG 3.27Å; A169-R173 WeakPolarHBondContact O-CG 3.43Å; A169-R173 PolarHBondContact O-N 3.48Å
170A84.9Confident78.9Confident44 Ų44104.4 Ų104.436%0.36455%0.552SS.*Hα-helixtrans-68.5-39.3174.200000111.9V166 V167 D168 R174V166-A170 PolarHBondContact O-N 3.25Å; V167-A170 PolarHBondContact O-N 2.95Å; D168-A170 VanDerWaalsContact C-N 3.3Å; D168-A170 PolarHBondContact O-N 2.87Å; A170-R174 WeakPolarHBondContact O-CG 3.34Å; A170-R174 PolarHBondContact O-N 3.22Å; A170-R174 VanDerWaalsContact O-N 3.11Å
171S88.8Confident81.1Confident37 Ų37108.8 Ų108.826%0.25956%0.558SS.*Hα-helixtrans-63.4-45.1176.2103.10000111.2V167 D168 R173 R174 Q175V167-S171 WeakPolarHBondContact O-CB 3.3Å; V167-S171 PolarHBondContact O-N 3.1Å; D168-S171 CarbonylContact O-C 3.58Å; D168-S171 WeakPolarHBondContact O-CA 3.31Å; D168-S171 WeakPolarHBondContact O-CB 3.39Å; D168-S171 PolarHBondContact O-N 3.47Å; D168-S171 PolarHBondContact O-OG 3.43Å; D168-S171 PolarHBondContact OD1-OG 2.78Å; S171-R173 PolarHBondContact O-N 3.46Å; S171-R174 WeakPolarHBondContact O-CB 3.27Å; S171-R174 PolarHBondContact O-N 3.11Å; S171-R174 VanDerWaalsContact O-N 3.1Å; S171-Q175 WeakPolarHBondContact O-CG 3.41Å; S171-Q175 PolarHBondContact O-N 2.93Å
172L92.3Very high83.1Confident90 Ų90111.8 Ų111.847%0.47156%0.555SS.*Hα-helixtrans-62.5-43.8178.8-177.1140000111D168 R174 Q175 I176D168-L172 VanDerWaalsContact O-CB 3.31Å; D168-L172 WeakPolarHBondContact O-CB 3.45Å; D168-L172 PolarHBondContact O-N 2.86Å; L172-R174 VanDerWaalsContact C-N 3.34Å; L172-R174 PolarHBondContact O-N 3.42Å; L172-Q175 PolarHBondContact O-N 3.19Å; L172-I176 HydrophobicContact CD2-CD1 3.56Å; L172-I176 HydrophobicContact CG-CD1 4.31Å; L172-I176 WeakPolarHBondContact O-CG1 3.42Å; L172-I176 PolarHBondContact O-N 3.07Å
173R92.1Very high85Confident181 Ų181110.8 Ų110.868%0.68355%0.549SS*.Hα-helixtrans-58.2-44.1172.2-74.8174.3-175.4-89.41.4112.1A169 S171 I176 I177A169-R173 VanDerWaalsContact O-CG 3.27Å; A169-R173 WeakPolarHBondContact O-CG 3.43Å; A169-R173 PolarHBondContact O-N 3.48Å; S171-R173 PolarHBondContact O-N 3.46Å; R173-I176 PolarHBondContact O-N 3.44Å; R173-I177 WeakPolarHBondContact O-CG1 3.34Å; R173-I177 PolarHBondContact O-N 3.05Å
174R90.1Very high86.9Confident193 Ų193110.5 Ų110.573%0.72854%0.544SS*.Hα-helixtrans-64.8-39.4176.9-69.1173-173.5-149.24.2111.9A170 S171 L172 I177 K178A170-R174 WeakPolarHBondContact O-CG 3.34Å; A170-R174 PolarHBondContact O-N 3.22Å; A170-R174 VanDerWaalsContact O-N 3.11Å; S171-R174 WeakPolarHBondContact O-CB 3.27Å; S171-R174 PolarHBondContact O-N 3.11Å; S171-R174 VanDerWaalsContact O-N 3.1Å; L172-R174 VanDerWaalsContact C-N 3.34Å; L172-R174 PolarHBondContact O-N 3.42Å; R174-I177 PolarHBondContact O-N 3.2Å; R174-K178 PolarHBondContact O-N 3.49Å
175Q93.7Very high88.7Confident130 Ų130109.4 Ų109.461%0.60754%0.539SS*.Hα-helixtrans-65.8-43177.7-71.3-175.739.400112.2S171 L172 I177 K178 L179S171-Q175 WeakPolarHBondContact O-CG 3.41Å; S171-Q175 PolarHBondContact O-N 2.93Å; L172-Q175 PolarHBondContact O-N 3.19Å; Q175-I177 VanDerWaalsContact C-N 3.33Å; Q175-I177 PolarHBondContact O-N 3.47Å; Q175-K178 PolarHBondContact O-N 3.38Å; Q175-L179 WeakPolarHBondContact O-CB 3.33Å; Q175-L179 PolarHBondContact O-N 3.32Å
176I94.3Very high89.9Confident99 Ų99110.7 Ų110.751%0.50854%0.542SS..Hα-helixtrans-58.9-44.5175.6-69.7168.2000110.9L172 R173 L179 N180L172-I176 HydrophobicContact CD2-CD1 3.56Å; L172-I176 HydrophobicContact CG-CD1 4.31Å; L172-I176 WeakPolarHBondContact O-CG1 3.42Å; L172-I176 PolarHBondContact O-N 3.07Å; R173-I176 PolarHBondContact O-N 3.44Å; I176-L179 PolarHBondContact O-N 2.87Å; I176-N180 WeakPolarHBondContact O-CB 3.34Å; I176-N180 PolarHBondContact O-N 2.95Å
177I94.5Very high91.3Very high120 Ų120110.6 Ų110.662%0.61554%0.535SS*.Hα-helixtrans-63.7-43.2177.8-65.3165.5000110.9R173 R174 Q175 L179 N180 R181R173-I177 WeakPolarHBondContact O-CG1 3.34Å; R173-I177 PolarHBondContact O-N 3.05Å; R174-I177 PolarHBondContact O-N 3.2Å; Q175-I177 VanDerWaalsContact C-N 3.33Å; Q175-I177 PolarHBondContact O-N 3.47Å; I177-L179 VanDerWaalsContact C-N 3.33Å; I177-L179 PolarHBondContact O-N 3.09Å; I177-N180 PolarHBondContact O-N 3.21Å; I177-R181 PolarHBondContact O-N 3.42Å
178K94.6Very high92.2Very high127 Ų127109.9 Ų109.955%0.55253%0.525SS*.Hα-helixtrans-63.3-39.7177.2-172176.2-177.7176.80111.7R174 Q175 R182R174-K178 PolarHBondContact O-N 3.49Å; Q175-K178 PolarHBondContact O-N 3.38Å; K178-R182 WeakPolarHBondContact O-CG 3.4Å; K178-R182 PolarHBondContact O-N 3.47Å; K178-R182 VanDerWaalsContact O-N 3.09Å
179L95.4Very high92.6Very high118 Ų118109.9 Ų109.962%0.61852%0.522SS*.Hα-helixtrans-67.7-43.5177-174.1139.5000111.3Q175 I176 I177 R181 R182 L183Q175-L179 WeakPolarHBondContact O-CB 3.33Å; Q175-L179 PolarHBondContact O-N 3.32Å; I176-L179 PolarHBondContact O-N 2.87Å; I177-L179 VanDerWaalsContact C-N 3.33Å; I177-L179 PolarHBondContact O-N 3.09Å; L179-R181 PolarHBondContact O-N 2.86Å; L179-R182 PolarHBondContact O-N 3.17Å; L179-L183 WeakPolarHBondContact O-CB 3.5Å; L179-L183 PolarHBondContact O-N 3.36Å
180N95.3Very high93Very high94 Ų94112.9 Ų112.950%0.50353%0.532SS..Hα-helixtrans-60.6-44.6175.6-168.9-41.8000111.1I176 I177 R182 L183 Q184I176-N180 WeakPolarHBondContact O-CB 3.34Å; I176-N180 PolarHBondContact O-N 2.95Å; I177-N180 PolarHBondContact O-N 3.21Å; N180-R182 VanDerWaalsContact C-N 3.33Å; N180-R182 PolarHBondContact O-N 3.42Å; N180-L183 WeakPolarHBondContact O-CB 3.48Å; N180-L183 PolarHBondContact O-N 3.21Å; N180-L183 VanDerWaalsContact O-N 3.17Å; N180-Q184 PolarHBondContact O-N 3.46Å
181R94.7Very high93.4Very high188 Ų188116.5 Ų116.571%0.70954%0.539SS*.Hα-helixtrans-60.4-40.8175.3-171.2175.4-178.1-178.70.6112.8I177 L179 L185I177-R181 PolarHBondContact O-N 3.42Å; L179-R181 PolarHBondContact O-N 2.86Å; R181-L185 WeakPolarHBondContact O-CG 3.41Å; R181-L185 PolarHBondContact O-N 2.85Å
182R95.8Very high93.5Very high156 Ų156120.2 Ų120.259%0.58955%0.552SS**Hα-helixtrans-65.8-42.5175-74.8177.8173.7-179.3-4.5111.6K178 L179 N180 L185 L186K178-R182 WeakPolarHBondContact O-CG 3.4Å; K178-R182 PolarHBondContact O-N 3.47Å; K178-R182 VanDerWaalsContact O-N 3.09Å; L179-R182 PolarHBondContact O-N 3.17Å; N180-R182 VanDerWaalsContact C-N 3.33Å; N180-R182 PolarHBondContact O-N 3.42Å; R182-L185 PolarHBondContact O-N 3.01Å; R182-L186 WeakPolarHBondContact O-CB 3.46Å; R182-L186 VanDerWaalsContact O-CG 3.32Å; R182-L186 WeakPolarHBondContact O-CG 3.32Å; R182-L186 PolarHBondContact O-N 3.22Å
183L95.3Very high93.4Very high99 Ų99123.3 Ų123.352%0.51856%0.558SS.*Hα-helixtrans-61.5-44.7177.3-178.865.9000111.3L179 N180 L185 L186 E187L179-L183 WeakPolarHBondContact O-CB 3.5Å; L179-L183 PolarHBondContact O-N 3.36Å; N180-L183 WeakPolarHBondContact O-CB 3.48Å; N180-L183 PolarHBondContact O-N 3.21Å; N180-L183 VanDerWaalsContact O-N 3.17Å; L183-L185 PolarHBondContact O-N 2.7Å; L183-L186 PolarHBondContact O-N 3.32Å; L183-E187 WeakPolarHBondContact O-CB 3.37Å; L183-E187 PolarHBondContact O-N 2.85Å
184Q95.4Very high93.5Very high101 Ų101116.2 Ų116.247%0.47254%0.538SS..Hα-helixtrans-60.5-46.2177.9-175.2-178.3-10.600111.8N180 L186 E187 E188N180-Q184 PolarHBondContact O-N 3.46Å; Q184-L186 VanDerWaalsContact C-N 3.33Å; Q184-L186 PolarHBondContact O-N 3.49Å; Q184-E187 PolarHBondContact O-N 3.24Å; Q184-E188 WeakPolarHBondContact CG-OE1 3.36Å; Q184-E188 PolarHBondContact NE2-OE1 2.91Å; Q184-E188 WeakPolarHBondContact O-CG 3.5Å; Q184-E188 PolarHBondContact O-N 2.97Å
185L93.3Very high93.7Very high104 Ų104114.1 Ų114.155%0.54553%0.534SS..Hα-helixtrans-61.7-41.4176.2-72.8175.7000112.1R181 R182 L183 E187 E188 E189R181-L185 WeakPolarHBondContact O-CG 3.41Å; R181-L185 PolarHBondContact O-N 2.85Å; R182-L185 PolarHBondContact O-N 3.01Å; L183-L185 PolarHBondContact O-N 2.7Å; L185-E187 VanDerWaalsContact C-N 3.34Å; L185-E188 PolarHBondContact O-N 3.43Å; L185-E189 PolarHBondContact O-N 3.23Å
186L91.9Very high93.7Very high106 Ų106116.5 Ų116.556%0.55554%0.537SS*.Hα-helixtrans-66.6-36.1176.1-73.4169.4000112.2R182 L183 Q184 N190R182-L186 WeakPolarHBondContact O-CB 3.46Å; R182-L186 VanDerWaalsContact O-CG 3.32Å; R182-L186 WeakPolarHBondContact O-CG 3.32Å; R182-L186 PolarHBondContact O-N 3.22Å; L183-L186 PolarHBondContact O-N 3.32Å; Q184-L186 VanDerWaalsContact C-N 3.33Å; Q184-L186 PolarHBondContact O-N 3.49Å; L186-N190 VanDerWaalsContact O-CB 3.23Å; L186-N190 WeakPolarHBondContact O-CB 3.36Å; L186-N190 PolarHBondContact O-N 3.11Å
187E93.1Very high93.8Very high96 Ų96117 Ų11745%0.44954%0.538SS..Hα-helixtrans-67.5-41.7176-169-173.1154.100111.2L183 Q184 L185 N190 K191L183-E187 WeakPolarHBondContact O-CB 3.37Å; L183-E187 PolarHBondContact O-N 2.85Å; Q184-E187 PolarHBondContact O-N 3.24Å; L185-E187 VanDerWaalsContact C-N 3.34Å; E187-N190 PolarHBondContact O-N 3.32Å; E187-K191 HydrophobicContact CG-CD 4.47Å; E187-K191 WeakPolarHBondContact O-CB 3.23Å; E187-K191 VanDerWaalsContact O-CG 3.25Å; E187-K191 WeakPolarHBondContact O-CG 3.25Å; E187-K191 PolarHBondContact O-N 2.94Å; E187-K191 WeakPolarHBondContact OE1-CE 3.43Å; E187-K191 IonicContact OE1-NZ 2.8Å; E187-K191 PolarHBondContact OE1-NZ 3.47Å
188E92.2Very high93.8Very high87 Ų87117.8 Ų117.841%0.40754%0.54SS..Hα-helixtrans-61.7-48.6173.7-73.2170.4-167.600111.2Q184 L185 N190 K191 E192Q184-E188 WeakPolarHBondContact CG-OE1 3.36Å; Q184-E188 PolarHBondContact NE2-OE1 2.91Å; Q184-E188 WeakPolarHBondContact O-CG 3.5Å; Q184-E188 PolarHBondContact O-N 2.97Å; L185-E188 PolarHBondContact O-N 3.43Å; E188-N190 PolarHBondContact O-N 3.3Å; E188-K191 PolarHBondContact O-N 3.43Å; E188-E192 PolarHBondContact O-N 2.92Å; E188-E192 VanDerWaalsContact O-N 3.11Å
189E92.2Very high93.9Very high91 Ų91115.1 Ų115.143%0.42553%0.534SS..Hα-helixtrans-62.1-41.4177.3-167.4-166.7157.100112L185 E192 R193L185-E189 PolarHBondContact O-N 3.23Å; E189-E192 PolarHBondContact O-N 3.18Å; E189-R193 PolarHBondContact O-N 2.81Å; E189-R193 IonicContact OE1-CZ 3.32Å; E189-R193 IonicContact OE1-NE 2.66Å; E189-R193 PolarHBondContact OE1-NE 3.31Å; E189-R193 IonicContact OE1-NH2 3.21Å; E189-R193 PolarHBondContact OE1-NH2 3.03Å
190N93Very high93.9Very high110 Ų110115 Ų11559%0.58853%0.532SS*.Hα-helixtrans-65.3-42.6177.8-168.6-45.5000111.4L186 E187 E188 E192 R193 A194L186-N190 VanDerWaalsContact O-CB 3.23Å; L186-N190 WeakPolarHBondContact O-CB 3.36Å; L186-N190 PolarHBondContact O-N 3.11Å; E187-N190 PolarHBondContact O-N 3.32Å; E188-N190 PolarHBondContact O-N 3.3Å; N190-E192 VanDerWaalsContact C-N 3.27Å; N190-E192 PolarHBondContact O-N 3.14Å; N190-R193 PolarHBondContact O-N 3.36Å; N190-R193 VanDerWaalsContact O-N 3.11Å; N190-A194 PolarHBondContact O-N 2.66Å
191K93.1Very high94Very high120 Ų120117.8 Ų117.852%0.52254%0.537SS..Hα-helixtrans-57.5-39.5174.5-78.3170-176.7164.20112.1E187 E188 K195E187-K191 HydrophobicContact CG-CD 4.47Å; E187-K191 WeakPolarHBondContact O-CB 3.23Å; E187-K191 VanDerWaalsContact O-CG 3.25Å; E187-K191 WeakPolarHBondContact O-CG 3.25Å; E187-K191 PolarHBondContact O-N 2.94Å; E187-K191 WeakPolarHBondContact OE1-CE 3.43Å; E187-K191 IonicContact OE1-NZ 2.8Å; E187-K191 PolarHBondContact OE1-NZ 3.47Å; E188-K191 PolarHBondContact O-N 3.43Å; K191-K195 VanDerWaalsContact O-CB 3.26Å; K191-K195 WeakPolarHBondContact O-CB 3.5Å; K191-K195 PolarHBondContact O-N 3.48Å
192E90.9Very high94.1Very high115 Ų115112 Ų11254%0.53753%0.526SS..Hα-helixtrans-64.7-41.5176.1-71.4-171.9-179.700112.5E188 E189 N190 R196E188-E192 PolarHBondContact O-N 2.92Å; E188-E192 VanDerWaalsContact O-N 3.11Å; E189-E192 PolarHBondContact O-N 3.18Å; N190-E192 VanDerWaalsContact C-N 3.27Å; N190-E192 PolarHBondContact O-N 3.14Å; E192-R196 WeakPolarHBondContact O-CG 3.35Å; E192-R196 PolarHBondContact O-N 3.11Å
193R90.6Very high94.2Very high154 Ų154109.2 Ų109.258%0.58152%0.521SS*.Hα-helixtrans-65.2-48.9176.1-66.2179.6-173.9-129.36.2111.4E189 N190 K195 R196 E197E189-R193 PolarHBondContact O-N 2.81Å; E189-R193 IonicContact OE1-CZ 3.32Å; E189-R193 IonicContact OE1-NE 2.66Å; E189-R193 PolarHBondContact OE1-NE 3.31Å; E189-R193 IonicContact OE1-NH2 3.21Å; E189-R193 PolarHBondContact OE1-NH2 3.03Å; N190-R193 PolarHBondContact O-N 3.36Å; N190-R193 VanDerWaalsContact O-N 3.11Å; R193-K195 VanDerWaalsContact C-N 3.31Å; R193-K195 PolarHBondContact O-N 3.11Å; R193-R196 WeakPolarHBondContact O-CB 3.26Å; R193-R196 PolarHBondContact O-N 3.19Å; R193-R196 VanDerWaalsContact O-N 3.14Å; R193-E197 PolarHBondContact O-N 2.9Å; R193-E197 VanDerWaalsContact O-N 3.11Å
194A94Very high94.2Very high32 Ų32107.7 Ų107.726%0.26452%0.516SS..Hα-helixtrans-60.6-39.1177.900000112.3N190 R196 E197 M198N190-A194 PolarHBondContact O-N 2.66Å; A194-R196 PolarHBondContact O-N 3.18Å; A194-E197 PolarHBondContact O-N 2.99Å; A194-M198 WeakPolarHBondContact O-CG 3.35Å; A194-M198 PolarHBondContact O-N 3.33Å
195K94.4Very high94.3Very high150 Ų150106.8 Ų106.865%0.65252%0.517SS*.Hα-helixtrans-62.2-41.9175.8-175.6178.8-179.9-179.30111.9K191 R193 M198 V199K191-K195 VanDerWaalsContact O-CB 3.26Å; K191-K195 WeakPolarHBondContact O-CB 3.5Å; K191-K195 PolarHBondContact O-N 3.48Å; R193-K195 VanDerWaalsContact C-N 3.31Å; R193-K195 PolarHBondContact O-N 3.11Å; K195-M198 PolarHBondContact O-N 2.92Å; K195-V199 VanDerWaalsContact O-CG2 3.32Å; K195-V199 WeakPolarHBondContact O-CG2 3.21Å; K195-V199 PolarHBondContact O-N 3.4Å
196R94.2Very high94.5Very high179 Ų179103.9 Ų103.968%0.67551%0.508SS*.Hα-helixtrans-63-43.2177.1-69.6174.4-169.1-153.75.4111.2E192 R193 A194 V199 M200E192-R196 WeakPolarHBondContact O-CG 3.35Å; E192-R196 PolarHBondContact O-N 3.11Å; R193-R196 WeakPolarHBondContact O-CB 3.26Å; R193-R196 PolarHBondContact O-N 3.19Å; R193-R196 VanDerWaalsContact O-N 3.14Å; A194-R196 PolarHBondContact O-N 3.18Å; R196-V199 PolarHBondContact O-N 2.93Å; R196-M200 WeakPolarHBondContact O-CG 3.14Å; R196-M200 PolarHBondContact O-N 2.96Å
197E95.3Very high94.7Very high111 Ų111105.3 Ų105.352%0.51951%0.51SS..Hα-helixtrans-62.4-45.6176.3-68.8176.4-174.100111.9R193 A194 V199 M200 Y201R193-E197 PolarHBondContact O-N 2.9Å; R193-E197 VanDerWaalsContact O-N 3.11Å; A194-E197 PolarHBondContact O-N 2.99Å; E197-V199 VanDerWaalsContact C-N 3.31Å; E197-V199 PolarHBondContact O-N 3.45Å; E197-M200 PolarHBondContact O-N 2.99Å; E197-Y201 HydrophobicContact CB-CD2 4.49Å; E197-Y201 HydrophobicContact CB-CE2 4.16Å; E197-Y201 WeakPolarHBondContact O-CD2 3.32Å; E197-Y201 PolarHBondContact O-N 3.37Å
198M95.1Very high94.9Very high136 Ų136109.9 Ų109.967%0.6752%0.523SS*.Hα-helixtrans-59-41.6175.9-72.6-178.4-17500112.2A194 K195 Y201 S202A194-M198 WeakPolarHBondContact O-CG 3.35Å; A194-M198 PolarHBondContact O-N 3.33Å; K195-M198 PolarHBondContact O-N 2.92Å; M198-Y201 PolarHBondContact O-N 3.01Å; M198-S202 WeakPolarHBondContact O-CB 3.33Å; M198-S202 PolarHBondContact O-N 2.9Å; M198-S202 PolarHBondContact O-OG 3.33Å
199V96.7Very high95.1Very high70 Ų70111 Ų11142%0.42453%0.532SS..Hα-helixtrans-62.7-47.2175.8171.10000110.4K195 R196 E197 Y201 S202 I203K195-V199 VanDerWaalsContact O-CG2 3.32Å; K195-V199 WeakPolarHBondContact O-CG2 3.21Å; K195-V199 PolarHBondContact O-N 3.4Å; R196-V199 PolarHBondContact O-N 2.93Å; E197-V199 VanDerWaalsContact C-N 3.31Å; E197-V199 PolarHBondContact O-N 3.45Å; V199-Y201 PolarHBondContact O-N 3.48Å; V199-S202 PolarHBondContact O-N 3.29Å; V199-S202 PolarHBondContact O-OG 3.48Å; V199-I203 HydrophobicContact CG1-CD1 3.75Å; V199-I203 HydrophobicContact CG1-CG1 4.47Å; V199-I203 VanDerWaalsContact O-CG1 3.32Å; V199-I203 WeakPolarHBondContact O-CG1 3.38Å; V199-I203 PolarHBondContact O-N 3.31Å
200M96.2Very high95.3Very high117 Ų117111.9 Ų111.958%0.57654%0.539SS*.Hα-helixtrans-59.9-45.9178.1-69.2-59.4-65.100112R196 E197 S202 I203 T204R196-M200 WeakPolarHBondContact O-CG 3.14Å; R196-M200 PolarHBondContact O-N 2.96Å; E197-M200 PolarHBondContact O-N 2.99Å; M200-S202 PolarHBondContact O-N 2.68Å; M200-I203 PolarHBondContact O-N 3.21Å; M200-T204 WeakPolarHBondContact O-CG2 3.32Å; M200-T204 PolarHBondContact O-N 3.45Å; M200-T204 PolarHBondContact O-OG1 2.89Å
201Y96.2Very high95.5Very high151 Ų151110.2 Ų110.259%0.59253%0.53SS*.Hα-helixtrans-63.8-39175.8-67.1-47.9000112.7E197 M198 V199 I203 T204 V205E197-Y201 HydrophobicContact CB-CD2 4.49Å; E197-Y201 HydrophobicContact CB-CE2 4.16Å; E197-Y201 WeakPolarHBondContact O-CD2 3.32Å; E197-Y201 PolarHBondContact O-N 3.37Å; M198-Y201 PolarHBondContact O-N 3.01Å; V199-Y201 PolarHBondContact O-N 3.48Å; Y201-I203 VanDerWaalsContact C-N 3.31Å; Y201-I203 PolarHBondContact O-N 3.35Å; Y201-T204 WeakPolarHBondContact CA-OG1 3.13Å; Y201-T204 PolarHBondContact O-N 3.44Å; Y201-T204 PolarHBondContact O-OG1 2.9Å; Y201-V205 WeakPolarHBondContact O-CB 3.09Å; Y201-V205 VanDerWaalsContact O-CG2 3.25Å; Y201-V205 WeakPolarHBondContact O-CG2 3.33Å; Y201-V205 PolarHBondContact O-N 2.9Å
202S96.8Very high95.6Very high68 Ų68107.8 Ų107.848%0.47653%0.528SS..Hα-helixtrans-62.7-40.2176.574.50000111.8M198 V199 M200 A206M198-S202 WeakPolarHBondContact O-CB 3.33Å; M198-S202 PolarHBondContact O-N 2.9Å; M198-S202 PolarHBondContact O-OG 3.33Å; V199-S202 PolarHBondContact O-N 3.29Å; V199-S202 PolarHBondContact O-OG 3.48Å; M200-S202 PolarHBondContact O-N 2.68Å; S202-A206 WeakPolarHBondContact O-CB 3.37Å; S202-A206 PolarHBondContact O-N 2.94Å
203I97.5Very high95.9Very high97 Ų97109.9 Ų109.950%0.49753%0.531SS..Hα-helixtrans-67.7-43177.2-67164.6000110.5V199 M200 Y201 A206 F207V199-I203 HydrophobicContact CG1-CD1 3.75Å; V199-I203 HydrophobicContact CG1-CG1 4.47Å; V199-I203 VanDerWaalsContact O-CG1 3.32Å; V199-I203 WeakPolarHBondContact O-CG1 3.38Å; V199-I203 PolarHBondContact O-N 3.31Å; M200-I203 PolarHBondContact O-N 3.21Å; Y201-I203 VanDerWaalsContact C-N 3.31Å; Y201-I203 PolarHBondContact O-N 3.35Å; I203-A206 PolarHBondContact O-N 2.85Å; I203-F207 VanDerWaalsContact O-CB 3.3Å; I203-F207 WeakPolarHBondContact O-CB 3.3Å; I203-F207 PolarHBondContact O-N 2.78Å
204T96.7Very high96.1Very high66 Ų66107.1 Ų107.141%0.40553%0.527SS..Hα-helixtrans-67.5-42.1179.556.40000111.9M200 Y201 F207 W208M200-T204 WeakPolarHBondContact O-CG2 3.32Å; M200-T204 PolarHBondContact O-N 3.45Å; M200-T204 PolarHBondContact O-OG1 2.89Å; Y201-T204 WeakPolarHBondContact CA-OG1 3.13Å; Y201-T204 PolarHBondContact O-N 3.44Å; Y201-T204 PolarHBondContact O-OG1 2.9Å; T204-F207 PolarHBondContact O-N 3.01Å; T204-W208 WeakPolarHBondContact O-CB 3.21Å; T204-W208 PolarHBondContact O-N 3.46Å
205V97.5Very high96.2Very high83 Ų83115.1 Ų115.150%0.50355%0.551SS.*Hα-helixtrans-63.8-45.1174.6172.20000110.6Y201 F207 W208 L209Y201-V205 WeakPolarHBondContact O-CB 3.09Å; Y201-V205 VanDerWaalsContact O-CG2 3.25Å; Y201-V205 WeakPolarHBondContact O-CG2 3.33Å; Y201-V205 PolarHBondContact O-N 2.9Å; V205-F207 PolarHBondContact O-N 3.42Å; V205-W208 WeakPolarHBondContact O-CB 3.25Å; V205-W208 PolarHBondContact O-N 3.39Å; V205-L209 HydrophobicContact CG1-CD1 4.03Å; V205-L209 HydrophobicContact CG1-CG 4.34Å; V205-L209 WeakPolarHBondContact O-CG 3.39Å; V205-L209 PolarHBondContact O-N 3.44Å
206A97.1Very high96.1Very high43 Ų43116.3 Ų116.336%0.35556%0.556SS.*Hα-helixtrans-60.4-44.8176.100000111.6S202 I203 W208 L209 L210S202-A206 WeakPolarHBondContact O-CB 3.37Å; S202-A206 PolarHBondContact O-N 2.94Å; I203-A206 PolarHBondContact O-N 2.85Å; A206-W208 VanDerWaalsContact C-N 3.33Å; A206-W208 PolarHBondContact O-N 2.86Å; A206-L209 PolarHBondContact O-N 3.23Å; A206-L210 WeakPolarHBondContact O-CD1 3.33Å; A206-L210 PolarHBondContact O-N 2.92Å
207F96.8Very high96.1Very high135 Ų135116.8 Ų116.859%0.59256%0.558SS**Hα-helixtrans-59.7-43.5175.5-179.8-101.1000111.7I203 T204 V205 L210 N211I203-F207 VanDerWaalsContact O-CB 3.3Å; I203-F207 WeakPolarHBondContact O-CB 3.3Å; I203-F207 PolarHBondContact O-N 2.78Å; T204-F207 PolarHBondContact O-N 3.01Å; V205-F207 PolarHBondContact O-N 3.42Å; F207-L210 PolarHBondContact O-N 2.86Å; F207-N211 VanDerWaalsContact CD1-ND2 3.33Å; F207-N211 WeakPolarHBondContact CD1-ND2 3.32Å; F207-N211 WeakPolarHBondContact CE1-ND2 3.49Å; F207-N211 WeakPolarHBondContact CE2-ND2 3.3Å; F207-N211 WeakPolarHBondContact CZ-ND2 3.48Å; F207-N211 PolarHBondContact O-N 3.38Å; F207-N211 PolarHBondContact O-ND2 2.9Å
208W96.7Very high95.6Very high193 Ų193125 Ų12573%0.73158%0.584SS**Hα-helixtrans-61.5-45.2174.5-98.290.8000112.6T204 V205 A206 N211 S212T204-W208 WeakPolarHBondContact O-CB 3.21Å; T204-W208 PolarHBondContact O-N 3.46Å; V205-W208 WeakPolarHBondContact O-CB 3.25Å; V205-W208 PolarHBondContact O-N 3.39Å; A206-W208 VanDerWaalsContact C-N 3.33Å; A206-W208 PolarHBondContact O-N 2.86Å; W208-N211 PolarHBondContact O-N 2.85Å; W208-S212 VanDerWaalsContact O-CB 3.28Å; W208-S212 WeakPolarHBondContact O-CB 3.4Å; W208-S212 PolarHBondContact O-N 3.25Å
209L96.7Very high95.7Very high111 Ų111124.5 Ų124.558%0.58158%0.58SS**Hα-helixtrans-63.2-42.4177.2-71.4174.3000111.7V205 A206 S212 W213V205-L209 HydrophobicContact CG1-CD1 4.03Å; V205-L209 HydrophobicContact CG1-CG 4.34Å; V205-L209 WeakPolarHBondContact O-CG 3.39Å; V205-L209 PolarHBondContact O-N 3.44Å; A206-L209 PolarHBondContact O-N 3.23Å; L209-S212 PolarHBondContact O-N 3.44Å; L209-W213 WeakPolarHBondContact O-CB 3.28Å; L209-W213 PolarHBondContact O-N 2.86Å
210L96.9Very high95.6Very high109 Ų109127.3 Ų127.357%0.57159%0.588SS**Hα-helixtrans-63-44.3176.8-94.973.7000111.6A206 F207 W213 L214A206-L210 WeakPolarHBondContact O-CD1 3.33Å; A206-L210 PolarHBondContact O-N 2.92Å; F207-L210 PolarHBondContact O-N 2.86Å; L210-W213 PolarHBondContact O-N 3.44Å; L210-L214 WeakPolarHBondContact O-CB 3.13Å; L210-L214 VanDerWaalsContact O-CG 3.3Å; L210-L214 WeakPolarHBondContact O-CG 3.3Å; L210-L214 PolarHBondContact O-N 2.8Å
211N96.3Very high95.6Very high74 Ų74127.9 Ų127.940%0.39659%0.589SS.*Hα-helixtrans-65.6-44.2176.8-77.3-66.7000111.9F207 W208 W213 L214 W215F207-N211 VanDerWaalsContact CD1-ND2 3.33Å; F207-N211 WeakPolarHBondContact CD1-ND2 3.32Å; F207-N211 WeakPolarHBondContact CE1-ND2 3.49Å; F207-N211 WeakPolarHBondContact CE2-ND2 3.3Å; F207-N211 WeakPolarHBondContact CZ-ND2 3.48Å; F207-N211 PolarHBondContact O-N 3.38Å; F207-N211 PolarHBondContact O-ND2 2.9Å; W208-N211 PolarHBondContact O-N 2.85Å; N211-W213 VanDerWaalsContact C-N 3.33Å; N211-W213 PolarHBondContact O-N 3.42Å; N211-L214 PolarHBondContact O-N 3.48Å; N211-W215 VanDerWaalsContact O-CB 3.3Å; N211-W215 WeakPolarHBondContact O-CB 3.14Å; N211-W215 PolarHBondContact O-N 3.31Å
212S96Very high95.5Very high69 Ų69126.5 Ų126.548%0.48359%0.588SS.*Hα-helixtrans-62.3-40.8176.2179.90000111.7W208 L209 W215 F216W208-S212 VanDerWaalsContact O-CB 3.28Å; W208-S212 WeakPolarHBondContact O-CB 3.4Å; W208-S212 PolarHBondContact O-N 3.25Å; L209-S212 PolarHBondContact O-N 3.44Å; S212-W215 PolarHBondContact O-N 3.42Å; S212-F216 WeakPolarHBondContact O-CB 3.37Å; S212-F216 PolarHBondContact O-N 3.46Å
213W96.3Very high95.4Very high160 Ų160130.2 Ų130.261%0.60660%0.595SS**Hα-helixtrans-68.4-43.3177.1-176.478000112.5L209 L210 N211 W215 F216 R217L209-W213 WeakPolarHBondContact O-CB 3.28Å; L209-W213 PolarHBondContact O-N 2.86Å; L210-W213 PolarHBondContact O-N 3.44Å; N211-W213 VanDerWaalsContact C-N 3.33Å; N211-W213 PolarHBondContact O-N 3.42Å; W213-W215 VanDerWaalsContact C-N 3.3Å; W213-W215 PolarHBondContact O-N 3.37Å; W213-F216 PolarHBondContact O-N 3.42Å; W213-R217 WeakPolarHBondContact O-CB 3.47Å; W213-R217 PolarHBondContact O-N 3.42Å
214L95.7Very high95.3Very high95 Ų95132.4 Ų132.450%0.49760%0.602SS.*Hα-helixtrans-63-37.5174.3-78.4170.6000112L210 N211 R218L210-L214 WeakPolarHBondContact O-CB 3.13Å; L210-L214 VanDerWaalsContact O-CG 3.3Å; L210-L214 WeakPolarHBondContact O-CG 3.3Å; L210-L214 PolarHBondContact O-N 2.8Å; N211-L214 PolarHBondContact O-N 3.48Å; L214-R218 PolarHBondContact O-N 2.89Å
215W94.9Very high95.2Very high201 Ų201137.1 Ų137.176%0.76162%0.616SS**Hα-helixtrans-68.7-41.4175.2-173.177.8000111.9N211 S212 W213 R217 R218N211-W215 VanDerWaalsContact O-CB 3.3Å; N211-W215 WeakPolarHBondContact O-CB 3.14Å; N211-W215 PolarHBondContact O-N 3.31Å; S212-W215 PolarHBondContact O-N 3.42Å; W213-W215 VanDerWaalsContact C-N 3.3Å; W213-W215 PolarHBondContact O-N 3.37Å; W215-R217 VanDerWaalsContact C-N 3.3Å; W215-R217 PolarHBondContact O-N 2.98Å; W215-R218 PolarHBondContact O-N 3.31Å
216F93.4Very high95Very high174 Ų174141.3 Ų141.376%0.76363%0.625SS**Hα-helixtrans-67.3-28.7176.7-173.2-98.4000113.4S212 W213S212-F216 WeakPolarHBondContact O-CB 3.37Å; S212-F216 PolarHBondContact O-N 3.46Å; W213-F216 PolarHBondContact O-N 3.42Å
217R93Very high94.9Very high190 Ų190149.5 Ų149.572%0.71765%0.647SS**Hα-helixtrans-79.4-18177.8-158.4-178.485.6128.60.2113.2W213 W215W213-R217 WeakPolarHBondContact O-CB 3.47Å; W213-R217 PolarHBondContact O-N 3.42Å; W215-R217 VanDerWaalsContact C-N 3.3Å; W215-R217 PolarHBondContact O-N 2.98Å
218R85.8Confident94.7Very high283 Ų283150.8 Ų150.8100%1.06865%0.652SS**  trans-88.80-179.2179171.7177.4130.70.4110.7L214 W215L214-R218 PolarHBondContact O-N 2.89Å; W215-R218 PolarHBondContact O-N 3.31Å

Retrieved 218 of 218 residues in 29.8 ms (Link to these results)

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