A0A087XRD4_POEFO Loading...

Centrosomal protein 83

AlphaFold DB , UniProt , Accession A0A087XRD4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 717 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
1M38.8Very low36.8Very low235 Ų235132.2 Ų132.2100%1.15881%0.811SS**  0800-46.7-64.7-161.800106.9
2A35.1Very low36.5Very low95 Ų95127.3 Ų127.379%0.78579%0.793SS**  60.8140.254.600000111.6
3S36.8Very low36Very low106 Ų106129.6 Ų129.674%0.74180%0.797SS**  cis-176.1157.8-8420000107.3
4L39.1Very low35.9Very low154 Ų154132.4 Ų132.481%0.80680%0.803SS**  cis-156.2159.53-130.9163.3000108.1Q6L4-Q6 HydrophobicContact CD2-CG 4.48Å
5G31.2Very low36.2Very low71 Ų71132.5 Ų132.573%0.73280%0.804SS**  trans-138.8120.7166.200000111.2
6Q42.3Very low36.8Very low163 Ų163132.1 Ų132.176%0.76281%0.805SS**  trans-145.6149.8166.8-82.2-165.7-19.300107.8L4L4-Q6 HydrophobicContact CD2-CG 4.48Å
7P42.5Very low36.4Very low136 Ų136128.2 Ų128.288%0.88380%0.797SS**  -130.7161.292.832.3-20.1000113.3
8A35.7Very low36.1Very low71 Ų71132 Ų13259%0.58781%0.807SS**  trans-123.6159.7-178.600000112
9S34.5Very low35.9Very low113 Ų113128.9 Ų128.979%0.7981%0.805SS**  trans59.5124.7168.854.30000117.8
10M35.8Very low36Very low180 Ų180132.5 Ų132.589%0.88781%0.808SS**  cis93.812940.7-83.6-14317200115.7
11V33Very low35.8Very low130 Ų130131.7 Ų131.779%0.78881%0.808SS**  trans90.6102150.7175.60000119.5
12A33.2Very low35.5Very low73 Ų73124.9 Ų124.960%0.60379%0.789SS**  trans43.9119.3133.800000121.7
13N30.4Very low35.5Very low158 Ų158125.5 Ų125.585%0.84579%0.794SS**  179.5118.5101.5-88.3-34.4000111.9
14L34.2Very low35.4Very low168 Ų168126.7 Ų126.788%0.8880%0.797SS**  trans-135.1140.2162.1-63.8170.5000104
15V41.3Very low35.3Very low134 Ų134127.8 Ų127.881%0.81280%0.803SS**  cis-146.5-165.529.2-130.90000106.5
16P45.4Very low35.5Very low126 Ų126127.5 Ų127.582%0.81880%0.799SS**  cis-133159.85.539.3-20.7000116.9
17G29.8Very low35.1Very low66 Ų66128.2 Ų128.268%0.6881%0.808SS**  trans174.198.5164.200000118.1
18M30.6Very low34.9Very low197 Ų197127.8 Ų127.897%0.9781%0.808SS**  trans64.4106.5145.2-52.5-169.587.100120.8
19G33.6Very low35.1Very low74 Ų74129.4 Ų129.476%0.76382%0.821SS**  trans-129.384159.400000112.6
20K37.1Very low35.4Very low199 Ų199127.2 Ų127.287%0.86582%0.817SS**  trans50.3113.7153.2-55.1175.5-177177.50119.6
21S32.6Very low36Very low117 Ų117127.9 Ų127.982%0.81882%0.823SS**  166.6148.8104.8-75.80000114.7
22A31.9Very low36.7Very low91 Ų91124.1 Ų124.175%0.75281%0.81SS**  trans50.2101.1154.700000119.8
23A34.3Very low37.6Very low109 Ų109123.1 Ų123.190%0.90181%0.807SS**  trans-87.4112.9146.800000108.9
24V34.9Very low39Very low130 Ų130119.5 Ų119.579%0.78880%0.799SS**  trans-96.6123.7163.9170.30000107.4G26V24-G26 PolarHBondContact O-N 2.8Å
25L38.2Very low40.3Very low178 Ų178118.5 Ų118.593%0.93279%0.789SS**  trans-73.5115.6164.4-83.1170.5000108.5
26G34.9Very low41.6Very low64 Ų64118 Ų11866%0.6678%0.782SS**  trans-82.6141.9178.200000113V24V24-G26 PolarHBondContact O-N 2.8Å
27L34.1Very low42.9Very low179 Ų179118.7 Ų118.794%0.93777%0.774SS**  trans-133.189.7147.5-87.7177.8000108.9
28S37.3Very low45Very low126 Ų126120.2 Ų120.288%0.88177%0.766SS**  trans-170.6149.4144.650.10000109.7
29A39.7Very low47.3Very low106 Ų106116.1 Ų116.188%0.87675%0.745SS**  trans-87.5146.6-16800000113.4
30G42.3Very low49.5Very low67 Ų67118.9 Ų118.969%0.69174%0.736SS**SBendtrans98121.5142.200000118.7
31L47Very low51.7Low194 Ų194114.7 Ų114.7100%1.01672%0.72SS**SBendtrans70.436.9139.1-60.1164.1000119.2
32G49Very low54.1Low50 Ų50114.5 Ų114.552%0.51571%0.71SS.*  trans-133.7-12.4170.200000117.8
33G51.8Low56.5Low52 Ų52115 Ų11554%0.53670%0.698SS.*Hα-helixtrans-75.8-33.9-169.400000116E35 L36 E37G33-E35 VanDerWaalsContact C-N 3.29Å; G33-E35 PolarHBondContact O-N 2.97Å; G33-L36 PolarHBondContact O-N 2.72Å; G33-E37 PolarHBondContact O-N 3.21Å
34A59.5Low58.9Low82 Ų82113.1 Ų113.168%0.67867%0.673SS**Hα-helixtrans-66.3-28.2-172.900000113.6L38A34-L38 WeakPolarHBondContact O-CB 3.36Å; A34-L38 PolarHBondContact O-N 2.95Å; A34-L38 VanDerWaalsContact O-N 3.11Å
35E62.3Low61.3Low147 Ų147111.9 Ų111.969%0.68766%0.659SS**Hα-helixtrans-77.1-35.9-176.7-168.2166.3-168.200112.4G33 L38 Q39G33-E35 VanDerWaalsContact C-N 3.29Å; G33-E35 PolarHBondContact O-N 2.97Å; E35-L38 PolarHBondContact O-N 3.46Å; E35-Q39 PolarHBondContact O-N 3.48Å
36L67.7Low63.6Low124 Ų124111.9 Ų111.965%0.64965%0.646SS**Hα-helixtrans-70.5-38.9175.6-98.6149.6000112.5G33 K40G33-L36 PolarHBondContact O-N 2.72Å; L36-K40 PolarHBondContact O-N 3.37Å
37E71.8Confident66.1Low141 Ų141112.8 Ų112.866%0.65964%0.635SS**Hα-helixtrans-68.5-37.1172.8-69.6-172.3146.400111.8G33 K40 M41G33-E37 PolarHBondContact O-N 3.21Å; E37-K40 PolarHBondContact O-N 2.84Å; E37-M41 WeakPolarHBondContact O-CG 3.42Å; E37-M41 PolarHBondContact O-N 3.05Å
38L75.7Confident68.6Low97 Ų97108.8 Ų108.851%0.50861%0.61SS.*Hα-helixtrans-64.4-43.6174-15690.2000112A34 E35 K40 M41 L42A34-L38 WeakPolarHBondContact O-CB 3.36Å; A34-L38 PolarHBondContact O-N 2.95Å; A34-L38 VanDerWaalsContact O-N 3.11Å; E35-L38 PolarHBondContact O-N 3.46Å; L38-K40 VanDerWaalsContact C-N 3.33Å; L38-K40 PolarHBondContact O-N 2.65Å; L38-M41 HydrophobicContact CD1-CE 4.05Å; L38-M41 PolarHBondContact O-N 2.65Å; L38-L42 HydrophobicContact CD2-CD1 4.47Å; L38-L42 WeakPolarHBondContact O-CG 3.01Å; L38-L42 PolarHBondContact O-N 3.06Å
39Q77.4Confident70.9Confident112 Ų112106.1 Ų106.152%0.52359%0.592SS.*Hα-helixtrans-59.6-42.9173.6-84.4-171-10.600112E35 L42 I43E35-Q39 PolarHBondContact O-N 3.48Å; Q39-L42 PolarHBondContact O-N 2.67Å; Q39-I43 WeakPolarHBondContact O-CG1 3.41Å; Q39-I43 PolarHBondContact O-N 3.32Å
40K80.9Confident73.3Confident132 Ų132106.4 Ų106.457%0.57458%0.575SS**Hα-helixtrans-62.2-47176.5-175.1-177.9172.6-171.40111.6L36 E37 L38 L42 I43 D44L36-K40 PolarHBondContact O-N 3.37Å; E37-K40 PolarHBondContact O-N 2.84Å; L38-K40 VanDerWaalsContact C-N 3.33Å; L38-K40 PolarHBondContact O-N 2.65Å; K40-L42 VanDerWaalsContact C-N 3.3Å; K40-L42 PolarHBondContact O-N 3.24Å; K40-I43 PolarHBondContact O-N 3.12Å; K40-I43 VanDerWaalsContact O-N 3.17Å; K40-D44 PolarHBondContact O-N 3.33Å
41M82.8Confident75.5Confident111 Ų111107.2 Ų107.255%0.54756%0.564SS.*Hα-helixtrans-60.3-38.2175.7-71.9-167.9-63.700112.4E37 L38 D44 E45E37-M41 WeakPolarHBondContact O-CG 3.42Å; E37-M41 PolarHBondContact O-N 3.05Å; L38-M41 HydrophobicContact CD1-CE 4.05Å; L38-M41 PolarHBondContact O-N 2.65Å; M41-D44 PolarHBondContact O-N 3.05Å; M41-E45 WeakPolarHBondContact O-CB 3.3Å; M41-E45 WeakPolarHBondContact O-CG 3.37Å; M41-E45 PolarHBondContact O-N 2.7Å
42L83.2Confident77.6Confident113 Ų113104.2 Ų104.259%0.59254%0.544SS*.Hα-helixtrans-66.7-35.7175.6-75.3166.4000112.9L38 Q39 K40 R46L38-L42 HydrophobicContact CD2-CD1 4.47Å; L38-L42 WeakPolarHBondContact O-CG 3.01Å; L38-L42 PolarHBondContact O-N 3.06Å; Q39-L42 PolarHBondContact O-N 2.67Å; K40-L42 VanDerWaalsContact C-N 3.3Å; K40-L42 PolarHBondContact O-N 3.24Å; L42-R46 VanDerWaalsContact O-CB 3.27Å; L42-R46 WeakPolarHBondContact O-CB 3.33Å; L42-R46 PolarHBondContact O-N 3.36Å
43I81.8Confident79.7Confident101 Ų101109.8 Ų109.852%0.51855%0.55SS..Hα-helixtrans-69.2-46.2173.7-68.1166.4000110.3Q39 K40 E45 R46 I47Q39-I43 WeakPolarHBondContact O-CG1 3.41Å; Q39-I43 PolarHBondContact O-N 3.32Å; K40-I43 PolarHBondContact O-N 3.12Å; K40-I43 VanDerWaalsContact O-N 3.17Å; I43-E45 PolarHBondContact O-N 3.33Å; I43-R46 WeakPolarHBondContact O-CB 3.43Å; I43-R46 PolarHBondContact O-N 3.19Å; I43-I47 HydrophobicContact CG2-CD1 3.85Å; I43-I47 WeakPolarHBondContact O-CG1 3.37Å; I43-I47 PolarHBondContact O-N 3.05Å
44D84.5Confident81.5Confident69 Ų69110.1 Ų110.137%0.36954%0.541SS..Hα-helixtrans-63-41.7178.5-72.1-23.9000111.4K40 M41 I47 K48K40-D44 PolarHBondContact O-N 3.33Å; M41-D44 PolarHBondContact O-N 3.05Å; D44-I47 PolarHBondContact O-N 3.47Å; D44-K48 VanDerWaalsContact O-CG 3.27Å; D44-K48 WeakPolarHBondContact O-CG 3.28Å; D44-K48 PolarHBondContact O-N 2.89Å
45E85.3Confident83Confident104 Ų104111 Ų11149%0.48654%0.535SS..Hα-helixtrans-67-36.5173-75.7-53131.100112.7M41 I43 K48 S49M41-E45 WeakPolarHBondContact O-CB 3.3Å; M41-E45 WeakPolarHBondContact O-CG 3.37Å; M41-E45 PolarHBondContact O-N 2.7Å; I43-E45 PolarHBondContact O-N 3.33Å; E45-K48 PolarHBondContact O-N 3.43Å; E45-K48 WeakPolarHBondContact OE1-CD 3.3Å; E45-K48 WeakPolarHBondContact OE1-CE 3.43Å; E45-K48 IonicContact OE1-NZ 3.94Å; E45-K48 PolarHBondContact OE1-NZ 2.95Å; E45-S49 WeakPolarHBondContact O-CB 3.34Å; E45-S49 PolarHBondContact O-N 2.76Å; E45-S49 PolarHBondContact O-OG 3.22Å
46R87.4Confident84.5Confident178 Ų178111.5 Ų111.567%0.67253%0.531SS*.Hα-helixtrans-62.1-47.5173.4-173.6174.8179.5172.80.7110.8L42 I43 K48 S49 E50L42-R46 VanDerWaalsContact O-CB 3.27Å; L42-R46 WeakPolarHBondContact O-CB 3.33Å; L42-R46 PolarHBondContact O-N 3.36Å; I43-R46 WeakPolarHBondContact O-CB 3.43Å; I43-R46 PolarHBondContact O-N 3.19Å; R46-K48 PolarHBondContact O-N 2.66Å; R46-S49 PolarHBondContact O-N 2.77Å; R46-S49 PolarHBondContact O-OG 3.47Å; R46-E50 WeakPolarHBondContact O-CB 3.11Å; R46-E50 PolarHBondContact O-N 3.3Å
47I86.4Confident85.7Confident84 Ų84110.4 Ų110.443%0.43152%0.523SS..Hα-helixtrans-61.5-42.9176.5-68.2167.4000111I43 D44 E50 N51I43-I47 HydrophobicContact CG2-CD1 3.85Å; I43-I47 WeakPolarHBondContact O-CG1 3.37Å; I43-I47 PolarHBondContact O-N 3.05Å; D44-I47 PolarHBondContact O-N 3.47Å; I47-E50 PolarHBondContact O-N 3.25Å; I47-N51 WeakPolarHBondContact O-CB 3.42Å; I47-N51 PolarHBondContact O-N 3.13Å; I47-N51 PolarHBondContact O-ND2 3.38Å
48K87.9Confident86.7Confident94 Ų94107.1 Ų107.141%0.40951%0.512SS..Hα-helixtrans-60.4-46.5172.9-71.4172.2-154.7169.90111.7D44 E45 R46 E50 N51 H52D44-K48 VanDerWaalsContact O-CG 3.27Å; D44-K48 WeakPolarHBondContact O-CG 3.28Å; D44-K48 PolarHBondContact O-N 2.89Å; E45-K48 PolarHBondContact O-N 3.43Å; E45-K48 WeakPolarHBondContact OE1-CD 3.3Å; E45-K48 WeakPolarHBondContact OE1-CE 3.43Å; E45-K48 IonicContact OE1-NZ 3.94Å; E45-K48 PolarHBondContact OE1-NZ 2.95Å; R46-K48 PolarHBondContact O-N 2.66Å; K48-E50 VanDerWaalsContact C-N 3.28Å; K48-E50 PolarHBondContact O-N 2.64Å; K48-N51 CarbonylContact O-C 3.6Å; K48-N51 PolarHBondContact O-N 3.38Å; K48-H52 WeakPolarHBondContact O-CB 3.24Å; K48-H52 PolarHBondContact O-CD2 3.09Å; K48-H52 VanDerWaalsContact O-CG 3.32Å; K48-H52 PolarHBondContact O-N 3.11Å
49S85.1Confident87.5Confident70 Ų70107.7 Ų107.749%0.4952%0.515SS..Hα-helixtrans-62.2-36.1179.179.20000112.4E45 R46 R53E45-S49 WeakPolarHBondContact O-CB 3.34Å; E45-S49 PolarHBondContact O-N 2.76Å; E45-S49 PolarHBondContact O-OG 3.22Å; R46-S49 PolarHBondContact O-N 2.77Å; R46-S49 PolarHBondContact O-OG 3.47Å; S49-R53 WeakPolarHBondContact O-CB 3.46Å; S49-R53 PolarHBondContact O-N 2.75Å
50E88.8Confident88.4Confident112 Ų112108.4 Ų108.452%0.52352%0.517SS..Hα-helixtrans-72.6-40.7176.7-166.8145.7-144.700111.2R46 I47 K48 R53 T54R46-E50 WeakPolarHBondContact O-CB 3.11Å; R46-E50 PolarHBondContact O-N 3.3Å; I47-E50 PolarHBondContact O-N 3.25Å; K48-E50 VanDerWaalsContact C-N 3.28Å; K48-E50 PolarHBondContact O-N 2.64Å; E50-R53 WeakPolarHBondContact O-CB 3.12Å; E50-R53 PolarHBondContact O-N 3.43Å; E50-T54 WeakPolarHBondContact O-CG2 3.45Å; E50-T54 PolarHBondContact O-N 3.37Å; E50-T54 PolarHBondContact O-OG1 3.15Å
51N89.4Confident88.9Confident85 Ų85104.7 Ų104.746%0.45551%0.511SS..Hα-helixtrans-64.4-38171-72.6-23.3000112.9I47 K48 R53 T54 N55I47-N51 WeakPolarHBondContact O-CB 3.42Å; I47-N51 PolarHBondContact O-N 3.13Å; I47-N51 PolarHBondContact O-ND2 3.38Å; K48-N51 CarbonylContact O-C 3.6Å; K48-N51 PolarHBondContact O-N 3.38Å; N51-R53 VanDerWaalsContact C-N 3.33Å; N51-T54 WeakPolarHBondContact CA-OG1 3.12Å; N51-T54 PolarHBondContact O-OG1 3.19Å; N51-N55 WeakPolarHBondContact O-CB 3.04Å; N51-N55 PolarHBondContact O-N 3.09Å; N51-N55 PolarHBondContact O-ND2 3.46Å
52H90.9Very high89.4Confident131 Ų131104.5 Ų104.561%0.60651%0.508SS*.Hα-helixtrans-67.9-35.9173.4-71.3-53.8000111.3K48 Y56K48-H52 WeakPolarHBondContact O-CB 3.24Å; K48-H52 PolarHBondContact O-CD2 3.09Å; K48-H52 VanDerWaalsContact O-CG 3.32Å; K48-H52 PolarHBondContact O-N 3.11Å; H52-Y56 VanDerWaalsContact O-CB 3.27Å; H52-Y56 WeakPolarHBondContact O-CB 3.14Å; H52-Y56 PolarHBondContact O-N 3.44Å
53R93.1Very high89.9Confident167 Ų167104.6 Ų104.663%0.6351%0.506SS*.Hα-helixtrans-66.8-45.3174178178.5176154-2.5112.1S49 E50 N51 Y56 Q57S49-R53 WeakPolarHBondContact O-CB 3.46Å; S49-R53 PolarHBondContact O-N 2.75Å; E50-R53 WeakPolarHBondContact O-CB 3.12Å; E50-R53 PolarHBondContact O-N 3.43Å; N51-R53 VanDerWaalsContact C-N 3.33Å; R53-Y56 PolarHBondContact O-N 3.47Å; R53-Q57 WeakPolarHBondContact O-CB 3.2Å; R53-Q57 VanDerWaalsContact O-CG 3.28Å; R53-Q57 WeakPolarHBondContact O-CG 3.47Å; R53-Q57 PolarHBondContact O-N 3.25Å
54T89.8Confident90.5Very high58 Ų58103 Ų10336%0.35650%0.5SS..Hα-helixtrans-66.4-45.7176.453.60000110.7E50 N51 Y56 Q57 T58E50-T54 WeakPolarHBondContact O-CG2 3.45Å; E50-T54 PolarHBondContact O-N 3.37Å; E50-T54 PolarHBondContact O-OG1 3.15Å; N51-T54 WeakPolarHBondContact CA-OG1 3.12Å; N51-T54 PolarHBondContact O-OG1 3.19Å; T54-Y56 VanDerWaalsContact C-N 3.31Å; T54-Y56 PolarHBondContact O-N 3.49Å; T54-Q57 CarbonylContact O-C 3.59Å; T54-Q57 WeakPolarHBondContact O-CA 3.48Å; T54-Q57 WeakPolarHBondContact O-CB 3.3Å; T54-Q57 PolarHBondContact O-N 3.25Å; T54-T58 PolarHBondContact O-N 3.46Å; T54-T58 PolarHBondContact O-OG1 2.89Å; T54-T58 VanDerWaalsContact O-OG1 3.09Å
55N91.5Very high91Very high102 Ų102102.1 Ų102.155%0.54550%0.5SS..Hα-helixtrans-57.9-41.4175-72.4-16.4000112.4N51 T58 L59N51-N55 WeakPolarHBondContact O-CB 3.04Å; N51-N55 PolarHBondContact O-N 3.09Å; N51-N55 PolarHBondContact O-ND2 3.46Å; N55-T58 PolarHBondContact O-N 3.45Å; N55-L59 VanDerWaalsContact O-CB 3.27Å; N55-L59 WeakPolarHBondContact O-CB 3.42Å; N55-L59 PolarHBondContact O-N 3.44Å
56Y93.9Very high91.5Very high157 Ų157102.5 Ų102.562%0.61651%0.505SS*.Hα-helixtrans-65.8-37.5174.1177.4-105000112.6H52 R53 T54 K60H52-Y56 VanDerWaalsContact O-CB 3.27Å; H52-Y56 WeakPolarHBondContact O-CB 3.14Å; H52-Y56 PolarHBondContact O-N 3.44Å; R53-Y56 PolarHBondContact O-N 3.47Å; T54-Y56 VanDerWaalsContact C-N 3.31Å; T54-Y56 PolarHBondContact O-N 3.49Å; Y56-K60 WeakPolarHBondContact O-CB 3.47Å; Y56-K60 PolarHBondContact O-N 2.92Å
57Q93.1Very high91.8Very high101 Ų10199 Ų9947%0.47250%0.496SS..Hα-helixtrans-66.8-43.1175.1-74.7174.6-19.400111.9R53 T54 K60 A61R53-Q57 WeakPolarHBondContact O-CB 3.2Å; R53-Q57 VanDerWaalsContact O-CG 3.28Å; R53-Q57 WeakPolarHBondContact O-CG 3.47Å; R53-Q57 PolarHBondContact O-N 3.25Å; T54-Q57 CarbonylContact O-C 3.59Å; T54-Q57 WeakPolarHBondContact O-CA 3.48Å; T54-Q57 WeakPolarHBondContact O-CB 3.3Å; T54-Q57 PolarHBondContact O-N 3.25Å; Q57-K60 PolarHBondContact O-N 3.08Å; Q57-A61 WeakPolarHBondContact O-CB 3.28Å; Q57-A61 PolarHBondContact O-N 3.18Å
58T91.3Very high92.2Very high71 Ų7199.2 Ų99.244%0.43650%0.501SS..Hα-helixtrans-61.8-51.5174.2-53.50000110.8T54 N55 K60 A61 E62T54-T58 PolarHBondContact O-N 3.46Å; T54-T58 PolarHBondContact O-OG1 2.89Å; T54-T58 VanDerWaalsContact O-OG1 3.09Å; N55-T58 PolarHBondContact O-N 3.45Å; T58-K60 VanDerWaalsContact C-N 3.28Å; T58-K60 PolarHBondContact O-N 2.76Å; T58-A61 WeakPolarHBondContact O-CB 3.37Å; T58-A61 PolarHBondContact O-N 2.77Å; T58-E62 WeakPolarHBondContact O-CG 3.45Å; T58-E62 PolarHBondContact O-N 3.46Å
59L93.3Very high92.6Very high110 Ų110100 Ų10058%0.57651%0.506SS*.Hα-helixtrans-61.1-36.3178.8-173.966.9000112.1N55 H63N55-L59 VanDerWaalsContact O-CB 3.27Å; N55-L59 WeakPolarHBondContact O-CB 3.42Å; N55-L59 PolarHBondContact O-N 3.44Å; L59-H63 VanDerWaalsContact O-CB 3.28Å; L59-H63 WeakPolarHBondContact O-CB 3.48Å; L59-H63 PolarHBondContact O-N 3.28Å
60K95.1Very high93Very high126 Ų126103 Ų10355%0.54851%0.511SS..Hα-helixtrans-66.5-42.2173.3-177.5177.3177.2-177.80111.7Y56 Q57 T58 H63 T64Y56-K60 WeakPolarHBondContact O-CB 3.47Å; Y56-K60 PolarHBondContact O-N 2.92Å; Q57-K60 PolarHBondContact O-N 3.08Å; T58-K60 VanDerWaalsContact C-N 3.28Å; T58-K60 PolarHBondContact O-N 2.76Å; K60-H63 PolarHBondContact O-N 3.46Å; K60-T64 WeakPolarHBondContact O-CG2 3.19Å; K60-T64 PolarHBondContact O-N 3Å; K60-T64 PolarHBondContact O-OG1 2.73Å; K60-T64 VanDerWaalsContact O-OG1 3.1Å
61A93.1Very high93.3Very high54 Ų54101.3 Ų101.345%0.44651%0.508SS..Hα-helixtrans-64-45.4176.800000111.4Q57 T58 T64 S65Q57-A61 WeakPolarHBondContact O-CB 3.28Å; Q57-A61 PolarHBondContact O-N 3.18Å; T58-A61 WeakPolarHBondContact O-CB 3.37Å; T58-A61 PolarHBondContact O-N 2.77Å; A61-T64 WeakPolarHBondContact CA-OG1 3.11Å; A61-T64 PolarHBondContact O-N 3.37Å; A61-T64 PolarHBondContact O-OG1 3.18Å; A61-S65 WeakPolarHBondContact O-CB 3.45Å; A61-S65 PolarHBondContact O-N 3.24Å
62E93.3Very high93.6Very high107 Ų107103.1 Ų103.150%0.551%0.514SS..Hα-helixtrans-61-46.4174.1-72.2176177.600111.8T58 T64 S65 L66T58-E62 WeakPolarHBondContact O-CG 3.45Å; T58-E62 PolarHBondContact O-N 3.46Å; E62-T64 VanDerWaalsContact C-N 3.34Å; E62-T64 PolarHBondContact O-N 3.08Å; E62-S65 WeakPolarHBondContact O-CB 3.44Å; E62-S65 PolarHBondContact O-N 2.73Å; E62-S65 VanDerWaalsContact O-N 3.13Å; E62-L66 WeakPolarHBondContact O-CB 3.44Å; E62-L66 WeakPolarHBondContact O-CG 3.49Å; E62-L66 PolarHBondContact O-N 3.35Å
63H94.1Very high93.7Very high116 Ų11699 Ų9954%0.53750%0.502SS..Hα-helixtrans-58-45173.7179.7-73.2000111.4L59 K60 S65 L66 Q67L59-H63 VanDerWaalsContact O-CB 3.28Å; L59-H63 WeakPolarHBondContact O-CB 3.48Å; L59-H63 PolarHBondContact O-N 3.28Å; K60-H63 PolarHBondContact O-N 3.46Å; H63-S65 VanDerWaalsContact C-N 3.32Å; H63-S65 PolarHBondContact O-N 2.79Å; H63-L66 PolarHBondContact O-N 3.46Å; H63-Q67 PolarHBondContact CE1-OE1 3.4Å; H63-Q67 WeakPolarHBondContact O-CB 3.49Å; H63-Q67 PolarHBondContact O-N 3.14Å
64T94Very high93.7Very high66 Ų6695.1 Ų95.141%0.40549%0.491SS..Hα-helixtrans-65.2-34.7176.350.10000112.7K60 A61 E62 Q67 T68K60-T64 WeakPolarHBondContact O-CG2 3.19Å; K60-T64 PolarHBondContact O-N 3Å; K60-T64 PolarHBondContact O-OG1 2.73Å; K60-T64 VanDerWaalsContact O-OG1 3.1Å; A61-T64 WeakPolarHBondContact CA-OG1 3.11Å; A61-T64 PolarHBondContact O-N 3.37Å; A61-T64 PolarHBondContact O-OG1 3.18Å; E62-T64 VanDerWaalsContact C-N 3.34Å; E62-T64 PolarHBondContact O-N 3.08Å; T64-Q67 PolarHBondContact O-N 3.02Å; T64-T68 WeakPolarHBondContact O-CG2 3.44Å; T64-T68 PolarHBondContact O-N 2.81Å; T64-T68 PolarHBondContact O-OG1 3.3Å
65S94.3Very high94Very high52 Ų5294.1 Ų94.136%0.36449%0.493SS..Hα-helixtrans-68.8-44.9176-170.90000111.9A61 E62 H63 Q67 T68 Q69A61-S65 WeakPolarHBondContact O-CB 3.45Å; A61-S65 PolarHBondContact O-N 3.24Å; E62-S65 WeakPolarHBondContact O-CB 3.44Å; E62-S65 PolarHBondContact O-N 2.73Å; E62-S65 VanDerWaalsContact O-N 3.13Å; H63-S65 VanDerWaalsContact C-N 3.32Å; H63-S65 PolarHBondContact O-N 2.79Å; S65-Q67 VanDerWaalsContact C-N 3.3Å; S65-Q67 PolarHBondContact O-N 3.06Å; S65-T68 PolarHBondContact O-N 3.27Å; S65-T68 PolarHBondContact O-OG1 3.06Å; S65-Q69 WeakPolarHBondContact O-CB 3.42Å; S65-Q69 WeakPolarHBondContact O-CG 3.43Å; S65-Q69 PolarHBondContact O-N 3Å; S65-Q69 PolarHBondContact OG-NE2 2.8Å
66L95.3Very high94.2Very high111 Ų11193.1 Ų93.158%0.58149%0.485SS*.Hα-helixtrans-64.1-36.3173.3-72.4170.9000111.6E62 H63 Q69 F70E62-L66 WeakPolarHBondContact O-CB 3.44Å; E62-L66 WeakPolarHBondContact O-CG 3.49Å; E62-L66 PolarHBondContact O-N 3.35Å; H63-L66 PolarHBondContact O-N 3.46Å; L66-Q69 PolarHBondContact O-N 2.82Å; L66-F70 VanDerWaalsContact O-CB 3.27Å; L66-F70 WeakPolarHBondContact O-CB 3.48Å; L66-F70 PolarHBondContact O-N 2.7Å
67Q95.1Very high94.2Very high106 Ų10689.7 Ų89.750%0.49548%0.48SS..Hα-helixtrans-67.9-41.3176.4-171.1173.410.800112.1H63 T64 S65 F70 T71H63-Q67 PolarHBondContact CE1-OE1 3.4Å; H63-Q67 WeakPolarHBondContact O-CB 3.49Å; H63-Q67 PolarHBondContact O-N 3.14Å; T64-Q67 PolarHBondContact O-N 3.02Å; S65-Q67 VanDerWaalsContact C-N 3.3Å; S65-Q67 PolarHBondContact O-N 3.06Å; Q67-F70 PolarHBondContact O-N 3.44Å; Q67-T71 WeakPolarHBondContact O-CG2 3.32Å; Q67-T71 PolarHBondContact O-N 2.98Å; Q67-T71 PolarHBondContact O-OG1 3.4Å
68T94.7Very high94.4Very high87 Ų8792.9 Ų92.953%0.53449%0.488SS..Hα-helixtrans-69.4-38.1174.354.30000112.1T64 S65 T71 H72T64-T68 WeakPolarHBondContact O-CG2 3.44Å; T64-T68 PolarHBondContact O-N 2.81Å; T64-T68 PolarHBondContact O-OG1 3.3Å; S65-T68 PolarHBondContact O-N 3.27Å; S65-T68 PolarHBondContact O-OG1 3.06Å; T68-T71 PolarHBondContact O-N 3.42Å; T68-T71 PolarHBondContact O-OG1 3.36Å; T68-T71 VanDerWaalsContact O-OG1 3.05Å; T68-H72 VanDerWaalsContact O-CB 3.28Å; T68-H72 WeakPolarHBondContact O-CB 3.39Å; T68-H72 PolarHBondContact O-N 2.97Å
69Q94.6Very high94.7Very high110 Ų11095.5 Ų95.551%0.51449%0.489SS..Hα-helixtrans-62-42.7172.8-71.8170.829.900111.7S65 L66 H72 A73S65-Q69 WeakPolarHBondContact O-CB 3.42Å; S65-Q69 WeakPolarHBondContact O-CG 3.43Å; S65-Q69 PolarHBondContact O-N 3Å; S65-Q69 PolarHBondContact OG-NE2 2.8Å; L66-Q69 PolarHBondContact O-N 2.82Å; Q69-H72 PolarHBondContact O-N 3.41Å; Q69-A73 WeakPolarHBondContact O-CB 3.44Å; Q69-A73 PolarHBondContact O-N 2.8Å
70F94.2Very high94.8Very high134 Ų13494.9 Ų94.959%0.58849%0.486SS*.Hα-helixtrans-64.1-44.1176.3179.4-96.5000112.4L66 Q67 H72 Q74L66-F70 VanDerWaalsContact O-CB 3.27Å; L66-F70 WeakPolarHBondContact O-CB 3.48Å; L66-F70 PolarHBondContact O-N 2.7Å; Q67-F70 PolarHBondContact O-N 3.44Å; F70-H72 VanDerWaalsContact C-N 3.32Å; F70-H72 PolarHBondContact O-N 3.19Å; F70-Q74 VanDerWaalsContact O-CB 3.31Å; F70-Q74 WeakPolarHBondContact O-CB 3.4Å; F70-Q74 PolarHBondContact O-N 3.12Å
71T94.9Very high94.7Very high77 Ų7793.4 Ų93.447%0.47248%0.484SS..Hα-helixtrans-67.8-33.2175.856.80000112.3Q67 T68 G75Q67-T71 WeakPolarHBondContact O-CG2 3.32Å; Q67-T71 PolarHBondContact O-N 2.98Å; Q67-T71 PolarHBondContact O-OG1 3.4Å; T68-T71 PolarHBondContact O-N 3.42Å; T68-T71 PolarHBondContact O-OG1 3.36Å; T68-T71 VanDerWaalsContact O-OG1 3.05Å; T71-G75 PolarHBondContact O-N 3.09Å
72H95.6Very high94.8Very high122 Ų12294.2 Ų94.257%0.56549%0.486SS*.Hα-helixtrans-64.3-53.9173.9-170.665.7000111.2T68 Q69 F70 Q74 G75 E76T68-H72 VanDerWaalsContact O-CB 3.28Å; T68-H72 WeakPolarHBondContact O-CB 3.39Å; T68-H72 PolarHBondContact O-N 2.97Å; Q69-H72 PolarHBondContact O-N 3.41Å; F70-H72 VanDerWaalsContact C-N 3.32Å; F70-H72 PolarHBondContact O-N 3.19Å; H72-Q74 VanDerWaalsContact C-N 3.29Å; H72-Q74 PolarHBondContact O-N 3.1Å; H72-G75 CarbonylContact O-C 3.59Å; H72-G75 WeakPolarHBondContact O-CA 3.26Å; H72-G75 PolarHBondContact O-N 3.38Å; H72-E76 IonicContact NE2-OE1 3.41Å; H72-E76 PolarHBondContact O-N 3.44Å
73A92.6Very high94.9Very high44 Ų4492.6 Ų92.636%0.36448%0.479SS..Hα-helixtrans-58.8-38.5176.700000112.3Q69 G75 E76 V77Q69-A73 WeakPolarHBondContact O-CB 3.44Å; Q69-A73 PolarHBondContact O-N 2.8Å; A73-G75 VanDerWaalsContact C-N 3.32Å; A73-G75 PolarHBondContact O-N 3.5Å; A73-E76 PolarHBondContact O-N 3.46Å; A73-V77 WeakPolarHBondContact O-CG2 3.22Å; A73-V77 PolarHBondContact O-N 3.11Å
74Q94.8Very high95Very high86 Ų8693.2 Ų93.240%0.40248%0.48SS..Hα-helixtrans-64.4-36.5173.2-174.9177.684.300112.3F70 H72 R78F70-Q74 VanDerWaalsContact O-CB 3.31Å; F70-Q74 WeakPolarHBondContact O-CB 3.4Å; F70-Q74 PolarHBondContact O-N 3.12Å; H72-Q74 VanDerWaalsContact C-N 3.29Å; H72-Q74 PolarHBondContact O-N 3.1Å; Q74-R78 WeakPolarHBondContact O-CG 3.41Å; Q74-R78 PolarHBondContact O-N 3.34Å; Q74-R78 VanDerWaalsContact O-N 3.15Å
75G95.9Very high95.1Very high38 Ų3895.5 Ų95.539%0.39249%0.486SS..Hα-helixtrans-65.4-44.4172.700000112.6T71 H72 A73 R78 R79T71-G75 PolarHBondContact O-N 3.09Å; H72-G75 CarbonylContact O-C 3.59Å; H72-G75 WeakPolarHBondContact O-CA 3.26Å; H72-G75 PolarHBondContact O-N 3.38Å; A73-G75 VanDerWaalsContact C-N 3.32Å; A73-G75 PolarHBondContact O-N 3.5Å; G75-R78 PolarHBondContact O-N 3.3Å; G75-R79 PolarHBondContact O-N 3.22Å
76E95.3Very high95.1Very high81 Ų8195.3 Ų95.338%0.37949%0.485SS..Hα-helixtrans-62.6-44.7176.3-67.5-170.5121.700112.2H72 A73 R78 R79 L80H72-E76 IonicContact NE2-OE1 3.41Å; H72-E76 PolarHBondContact O-N 3.44Å; A73-E76 PolarHBondContact O-N 3.46Å; E76-R78 VanDerWaalsContact C-N 3.32Å; E76-R78 PolarHBondContact O-N 3.17Å; E76-R79 WeakPolarHBondContact O-CB 3.36Å; E76-R79 PolarHBondContact O-N 3.05Å; E76-R79 VanDerWaalsContact O-N 3.15Å; E76-L80 WeakPolarHBondContact O-CG 3.47Å; E76-L80 PolarHBondContact O-N 3.35Å
77V94.3Very high95.1Very high84 Ų8495.8 Ų95.851%0.50948%0.484SS..Hα-helixtrans-60.1-41.7175.3169.90000111.2A73 L81A73-V77 WeakPolarHBondContact O-CG2 3.22Å; A73-V77 PolarHBondContact O-N 3.11Å; V77-L81 HydrophobicContact CG1-CD1 4.05Å; V77-L81 WeakPolarHBondContact O-CB 3.42Å; V77-L81 VanDerWaalsContact O-CG 3.25Å; V77-L81 WeakPolarHBondContact O-CG 3.42Å; V77-L81 PolarHBondContact O-N 2.94Å
78R96.3Very high95.2Very high169 Ų16995.5 Ų95.564%0.63848%0.483SS*.Hα-helixtrans-64.3-40.5174.7-74.2176.9-177.9-175.54.3112.3Q74 G75 E76 L81 S82Q74-R78 WeakPolarHBondContact O-CG 3.41Å; Q74-R78 PolarHBondContact O-N 3.34Å; Q74-R78 VanDerWaalsContact O-N 3.15Å; G75-R78 PolarHBondContact O-N 3.3Å; E76-R78 VanDerWaalsContact C-N 3.32Å; E76-R78 PolarHBondContact O-N 3.17Å; R78-L81 PolarHBondContact O-N 3.32Å; R78-S82 PolarHBondContact O-N 3.47Å
79R96.9Very high95.2Very high125 Ų12597.2 Ų97.247%0.47248%0.484SS..Hα-helixtrans-61.6-51.6176-179.9177.466.496.3-6.1111.1G75 E76 L81 S82 E83G75-R79 PolarHBondContact O-N 3.22Å; E76-R79 WeakPolarHBondContact O-CB 3.36Å; E76-R79 PolarHBondContact O-N 3.05Å; E76-R79 VanDerWaalsContact O-N 3.15Å; R79-L81 VanDerWaalsContact C-N 3.3Å; R79-L81 PolarHBondContact O-N 3Å; R79-S82 WeakPolarHBondContact O-CB 3.36Å; R79-S82 PolarHBondContact O-N 3.08Å; R79-S82 VanDerWaalsContact O-N 3.08Å; R79-E83 WeakPolarHBondContact CD-OE1 3.41Å; R79-E83 HydrophobicContact CG-CG 4.34Å; R79-E83 WeakPolarHBondContact CG-OE1 3.42Å; R79-E83 IonicContact CZ-OE1 3.53Å; R79-E83 IonicContact NE-OE1 3.86Å; R79-E83 IonicContact NH1-OE1 2.65Å; R79-E83 PolarHBondContact NH1-OE1 2.8Å; R79-E83 IonicContact NH1-OE2 2.65Å; R79-E83 PolarHBondContact NH1-OE2 2.88Å; R79-E83 WeakPolarHBondContact O-CG 3.41Å; R79-E83 PolarHBondContact O-N 2.78Å
80L95.4Very high95.3Very high98 Ų98100.6 Ų100.651%0.51349%0.493SS..Hα-helixtrans-61-35.9178.8-69.9169.6000112.7E76 K84E76-L80 WeakPolarHBondContact O-CG 3.47Å; E76-L80 PolarHBondContact O-N 3.35Å; L80-K84 VanDerWaalsContact O-CB 3.3Å; L80-K84 WeakPolarHBondContact O-CB 3.31Å; L80-K84 PolarHBondContact O-N 3.16Å
81L95Very high95.3Very high95 Ų9599.3 Ų99.350%0.49749%0.491SS..Hα-helixtrans-65.9-41173.4-74.2170.3000112.2V77 R78 R79 Q85V77-L81 HydrophobicContact CG1-CD1 4.05Å; V77-L81 WeakPolarHBondContact O-CB 3.42Å; V77-L81 VanDerWaalsContact O-CG 3.25Å; V77-L81 WeakPolarHBondContact O-CG 3.42Å; V77-L81 PolarHBondContact O-N 2.94Å; R78-L81 PolarHBondContact O-N 3.32Å; R79-L81 VanDerWaalsContact C-N 3.3Å; R79-L81 PolarHBondContact O-N 3Å; L81-Q85 WeakPolarHBondContact O-CB 3.19Å; L81-Q85 VanDerWaalsContact O-CG 3.26Å; L81-Q85 WeakPolarHBondContact O-CG 3.27Å; L81-Q85 PolarHBondContact O-N 3.29Å
82S95.2Very high95.4Very high71 Ų71101.1 Ų101.150%0.49750%0.495SS..Hα-helixtrans-67.2-43.5175.4-171.50000112.1R78 R79 Q85 S86R78-S82 PolarHBondContact O-N 3.47Å; R79-S82 WeakPolarHBondContact O-CB 3.36Å; R79-S82 PolarHBondContact O-N 3.08Å; R79-S82 VanDerWaalsContact O-N 3.08Å; S82-Q85 PolarHBondContact O-N 2.92Å; S82-S86 PolarHBondContact O-N 3.08Å
83E95.4Very high95.4Very high73 Ų73100.7 Ų100.734%0.34150%0.496SS..Hα-helixtrans-58.3-52.2175.5-73.9167.3-179.600109.9R79 Q85 S86 E87R79-E83 WeakPolarHBondContact CD-OE1 3.41Å; R79-E83 HydrophobicContact CG-CG 4.34Å; R79-E83 WeakPolarHBondContact CG-OE1 3.42Å; R79-E83 IonicContact CZ-OE1 3.53Å; R79-E83 IonicContact NE-OE1 3.86Å; R79-E83 IonicContact NH1-OE1 2.65Å; R79-E83 PolarHBondContact NH1-OE1 2.8Å; R79-E83 IonicContact NH1-OE2 2.65Å; R79-E83 PolarHBondContact NH1-OE2 2.88Å; R79-E83 WeakPolarHBondContact O-CG 3.41Å; R79-E83 PolarHBondContact O-N 2.78Å; E83-Q85 VanDerWaalsContact C-N 3.32Å; E83-Q85 PolarHBondContact O-N 3.23Å; E83-S86 PolarHBondContact O-N 3.36Å; E83-S86 VanDerWaalsContact O-N 3.12Å; E83-S86 PolarHBondContact O-OG 2.84Å; E83-E87 WeakPolarHBondContact O-CG 3.17Å; E83-E87 PolarHBondContact O-N 2.82Å
84K95.6Very high95.6Very high128 Ų128102.7 Ų102.756%0.55750%0.5SS*.Hα-helixtrans-55.9-41.9174.7-179.6-174.5173.7-175.90113.1L80 Q88L80-K84 VanDerWaalsContact O-CB 3.3Å; L80-K84 WeakPolarHBondContact O-CB 3.31Å; L80-K84 PolarHBondContact O-N 3.16Å; K84-Q88 WeakPolarHBondContact O-CB 3.15Å; K84-Q88 PolarHBondContact O-N 3.1Å
85Q95.9Very high95.6Very high115 Ų115103 Ų10354%0.53750%0.504SS..Hα-helixtrans-62.4-46.6176.6-78.6170.7-1600111L81 S82 E83 E87 Q88 E89L81-Q85 WeakPolarHBondContact O-CB 3.19Å; L81-Q85 VanDerWaalsContact O-CG 3.26Å; L81-Q85 WeakPolarHBondContact O-CG 3.27Å; L81-Q85 PolarHBondContact O-N 3.29Å; S82-Q85 PolarHBondContact O-N 2.92Å; E83-Q85 VanDerWaalsContact C-N 3.32Å; E83-Q85 PolarHBondContact O-N 3.23Å; Q85-E87 VanDerWaalsContact C-N 3.34Å; Q85-E87 PolarHBondContact O-N 3.45Å; Q85-Q88 PolarHBondContact O-N 3.05Å; Q85-E89 WeakPolarHBondContact O-CG 3.21Å; Q85-E89 PolarHBondContact O-N 2.98Å
86S94.8Very high95.5Very high48 Ų48103.9 Ų103.934%0.33651%0.507SS..Hα-helixtrans-65.2-34.1178.976.50000113.7S82 E83 R90S82-S86 PolarHBondContact O-N 3.08Å; E83-S86 PolarHBondContact O-N 3.36Å; E83-S86 VanDerWaalsContact O-N 3.12Å; E83-S86 PolarHBondContact O-OG 2.84Å; S86-R90 PolarHBondContact O-N 3.4Å
87E95.1Very high95.6Very high120 Ų120105.7 Ų105.756%0.56152%0.516SS*.Hα-helixtrans-68.6-42.3172.5-71.3-179.5161.200111.4E83 Q85 E89 R90 L91E83-E87 WeakPolarHBondContact O-CG 3.17Å; E83-E87 PolarHBondContact O-N 2.82Å; Q85-E87 VanDerWaalsContact C-N 3.34Å; Q85-E87 PolarHBondContact O-N 3.45Å; E87-E89 VanDerWaalsContact C-N 3.34Å; E87-E89 PolarHBondContact O-N 2.87Å; E87-R90 PolarHBondContact O-N 2.75Å; E87-L91 WeakPolarHBondContact O-CG 3.43Å; E87-L91 PolarHBondContact O-N 2.77Å
88Q95.9Very high95.5Very high101 Ų101106 Ų10647%0.47251%0.514SS..Hα-helixtrans-63.6-39.2176.6-175.4170.9-15.900111.8K84 Q85 L91 Q92K84-Q88 WeakPolarHBondContact O-CB 3.15Å; K84-Q88 PolarHBondContact O-N 3.1Å; Q85-Q88 PolarHBondContact O-N 3.05Å; Q88-L91 PolarHBondContact O-N 3.25Å; Q88-Q92 VanDerWaalsContact O-CG 3.31Å; Q88-Q92 WeakPolarHBondContact O-CG 3.37Å; Q88-Q92 PolarHBondContact O-N 2.88Å
89E95.9Very high95.5Very high122 Ų122106 Ų10657%0.5751%0.514SS*.Hα-helixtrans-64.7-45.2173.1-73172.5-179.700112Q85 E87 L91 Q92 L93Q85-E89 WeakPolarHBondContact O-CG 3.21Å; Q85-E89 PolarHBondContact O-N 2.98Å; E87-E89 VanDerWaalsContact C-N 3.34Å; E87-E89 PolarHBondContact O-N 2.87Å; E89-L91 VanDerWaalsContact C-N 3.34Å; E89-L91 PolarHBondContact O-N 3.13Å; E89-Q92 WeakPolarHBondContact O-CB 3.32Å; E89-Q92 PolarHBondContact O-N 2.86Å; E89-Q92 VanDerWaalsContact O-N 3.16Å; E89-L93 WeakPolarHBondContact O-CG 3.44Å; E89-L93 PolarHBondContact O-N 2.9Å
90R96.1Very high95.5Very high181 Ų181102 Ų10268%0.68351%0.512SS*.Hα-helixtrans-57.5-44.5173.7-85.1-175.6171.2131.6-2.8112.6S86 E87 Q92 L93 L94S86-R90 PolarHBondContact O-N 3.4Å; E87-R90 PolarHBondContact O-N 2.75Å; R90-Q92 VanDerWaalsContact C-N 3.32Å; R90-Q92 PolarHBondContact O-N 3.34Å; R90-L93 PolarHBondContact O-N 3.28Å; R90-L94 PolarHBondContact O-N 2.85Å
91L94.8Very high95.4Very high108 Ų108103.4 Ų103.457%0.56552%0.516SS*.Hα-helixtrans-65.9-35.2177.5-70.4172000111.9E87 Q88 E89 L95E87-L91 WeakPolarHBondContact O-CG 3.43Å; E87-L91 PolarHBondContact O-N 2.77Å; Q88-L91 PolarHBondContact O-N 3.25Å; E89-L91 VanDerWaalsContact C-N 3.34Å; E89-L91 PolarHBondContact O-N 3.13Å; L91-L95 WeakPolarHBondContact O-CB 3.44Å; L91-L95 VanDerWaalsContact O-CG 3.23Å; L91-L95 WeakPolarHBondContact O-CG 3.37Å; L91-L95 PolarHBondContact O-N 2.93Å
92Q96.3Very high95.4Very high115 Ų115104.5 Ų104.554%0.53752%0.522SS..Hα-helixtrans-66.6-40.4174-75.61766.600112.6Q88 E89 R90 L95 A96Q88-Q92 VanDerWaalsContact O-CG 3.31Å; Q88-Q92 WeakPolarHBondContact O-CG 3.37Å; Q88-Q92 PolarHBondContact O-N 2.88Å; E89-Q92 WeakPolarHBondContact O-CB 3.32Å; E89-Q92 PolarHBondContact O-N 2.86Å; E89-Q92 VanDerWaalsContact O-N 3.16Å; R90-Q92 VanDerWaalsContact C-N 3.32Å; R90-Q92 PolarHBondContact O-N 3.34Å; Q92-L95 PolarHBondContact O-N 3.47Å; Q92-A96 PolarHBondContact O-N 3.41Å
93L96Very high95.4Very high112 Ų112105.6 Ų105.659%0.58652%0.522SS*.Hα-helixtrans-63.1-49.5174.8-70.4170.5000111.3E89 R90 L95 A96 E97E89-L93 WeakPolarHBondContact O-CG 3.44Å; E89-L93 PolarHBondContact O-N 2.9Å; R90-L93 PolarHBondContact O-N 3.28Å; L93-L95 VanDerWaalsContact C-N 3.3Å; L93-L95 PolarHBondContact O-N 3.34Å; L93-A96 WeakPolarHBondContact O-CA 3.41Å; L93-A96 WeakPolarHBondContact O-CB 3.43Å; L93-A96 PolarHBondContact O-N 2.94Å; L93-E97 WeakPolarHBondContact O-CG 3.5Å; L93-E97 PolarHBondContact O-N 3.24Å
94L96.4Very high95.4Very high86 Ų86103.2 Ų103.245%0.4552%0.517SS..Hα-helixtrans-59.3-39.8177-17863.6000112.2R90 A96 E97 L98R90-L94 PolarHBondContact O-N 2.85Å; L94-A96 VanDerWaalsContact C-N 3.3Å; L94-A96 PolarHBondContact O-N 3.21Å; L94-E97 PolarHBondContact O-N 3.08Å; L94-L98 HydrophobicContact CD1-CD1 4.39Å; L94-L98 HydrophobicContact CD1-CG 4.42Å; L94-L98 HydrophobicContact CG-CD1 4.14Å; L94-L98 WeakPolarHBondContact O-CB 3.41Å; L94-L98 VanDerWaalsContact O-CG 3.3Å; L94-L98 WeakPolarHBondContact O-CG 3.43Å; L94-L98 PolarHBondContact O-N 3.45Å
95L94.6Very high95.3Very high94 Ų94102.6 Ų102.649%0.49251%0.514SS..Hα-helixtrans-66.1-30.3174-75.9171000112.9L91 Q92 L93 R99L91-L95 WeakPolarHBondContact O-CB 3.44Å; L91-L95 VanDerWaalsContact O-CG 3.23Å; L91-L95 WeakPolarHBondContact O-CG 3.37Å; L91-L95 PolarHBondContact O-N 2.93Å; Q92-L95 PolarHBondContact O-N 3.47Å; L93-L95 VanDerWaalsContact C-N 3.3Å; L93-L95 PolarHBondContact O-N 3.34Å; L95-R99 WeakPolarHBondContact O-CB 3.44Å; L95-R99 VanDerWaalsContact O-CD 3.27Å; L95-R99 WeakPolarHBondContact O-CD 3.24Å; L95-R99 WeakPolarHBondContact O-CG 3.22Å; L95-R99 PolarHBondContact O-N 3.13Å
96A95.3Very high95.1Very high56 Ų5699.9 Ų99.946%0.46351%0.505SS..Hα-helixtrans-74.3-41.8174.500000111.7Q92 L93 L94 R99 G100Q92-A96 PolarHBondContact O-N 3.41Å; L93-A96 WeakPolarHBondContact O-CA 3.41Å; L93-A96 WeakPolarHBondContact O-CB 3.43Å; L93-A96 PolarHBondContact O-N 2.94Å; L94-A96 VanDerWaalsContact C-N 3.3Å; L94-A96 PolarHBondContact O-N 3.21Å; A96-R99 PolarHBondContact O-N 3.19Å; A96-G100 PolarHBondContact O-N 3Å
97E95.4Very high95.1Very high118 Ų118104.9 Ų104.955%0.55152%0.517SS*.Hα-helixtrans-58.6-53.7174.6-71.2169.1173.100111L93 L94 R99 G100 E101L93-E97 WeakPolarHBondContact O-CG 3.5Å; L93-E97 PolarHBondContact O-N 3.24Å; L94-E97 PolarHBondContact O-N 3.08Å; E97-R99 VanDerWaalsContact C-N 3.28Å; E97-R99 PolarHBondContact O-N 3.5Å; E97-G100 CarbonylContact O-C 3.6Å; E97-G100 WeakPolarHBondContact O-CA 3.48Å; E97-G100 PolarHBondContact O-N 2.96Å; E97-E101 PolarHBondContact O-N 2.84Å
98L93.5Very high94.9Very high91 Ų91103.2 Ų103.248%0.47651%0.509SS..Hα-helixtrans-59.9-34.6178.4-69.6170.2000113L94 L102L94-L98 HydrophobicContact CD1-CD1 4.39Å; L94-L98 HydrophobicContact CD1-CG 4.42Å; L94-L98 HydrophobicContact CG-CD1 4.14Å; L94-L98 WeakPolarHBondContact O-CB 3.41Å; L94-L98 VanDerWaalsContact O-CG 3.3Å; L94-L98 WeakPolarHBondContact O-CG 3.43Å; L94-L98 PolarHBondContact O-N 3.45Å; L98-L102 WeakPolarHBondContact O-CB 3.47Å; L98-L102 PolarHBondContact O-N 3.4Å
99R96Very high94.4Very high169 Ų169103.5 Ų103.564%0.63851%0.513SS*.Hα-helixtrans-69.1-37.9172.4-75.7169-179.6171.10.2111.9L95 A96 E97 L103L95-R99 WeakPolarHBondContact O-CB 3.44Å; L95-R99 VanDerWaalsContact O-CD 3.27Å; L95-R99 WeakPolarHBondContact O-CD 3.24Å; L95-R99 WeakPolarHBondContact O-CG 3.22Å; L95-R99 PolarHBondContact O-N 3.13Å; A96-R99 PolarHBondContact O-N 3.19Å; E97-R99 VanDerWaalsContact C-N 3.28Å; E97-R99 PolarHBondContact O-N 3.5Å; R99-L103 WeakPolarHBondContact O-CG 3.49Å; R99-L103 PolarHBondContact O-N 3.18Å; R99-L103 VanDerWaalsContact O-N 3.08Å
100G95.9Very high94Very high42 Ų42102.8 Ų102.843%0.43351%0.51SS..Hα-helixtrans-63.2-46.517400000112.2A96 E97 L103 G104A96-G100 PolarHBondContact O-N 3Å; E97-G100 CarbonylContact O-C 3.6Å; E97-G100 WeakPolarHBondContact O-CA 3.48Å; E97-G100 PolarHBondContact O-N 2.96Å; G100-L103 PolarHBondContact O-N 2.87Å; G100-G104 PolarHBondContact O-N 3.45Å
101E95.3Very high93.6Very high126 Ų12699.5 Ų99.559%0.58950%0.502SS*.Hα-helixtrans-60.7-45.9175.1-70.1-176.1169.300112E97 L103 G104 K105E97-E101 PolarHBondContact O-N 2.84Å; E101-L103 VanDerWaalsContact C-N 3.31Å; E101-L103 PolarHBondContact O-N 3.22Å; E101-G104 PolarHBondContact O-N 3.17Å; E101-G104 VanDerWaalsContact O-N 3.16Å; E101-K105 WeakPolarHBondContact O-CG 3.31Å; E101-K105 PolarHBondContact O-N 2.87Å
102L94.1Very high93Very high119 Ų11999 Ų9962%0.62350%0.499SS*.Hα-helixtrans-57.9-43.6176.3-169.485.9000111.7L98 K105 T106L98-L102 WeakPolarHBondContact O-CB 3.47Å; L98-L102 PolarHBondContact O-N 3.4Å; L102-K105 PolarHBondContact O-N 3.26Å; L102-T106 WeakPolarHBondContact O-CB 3.39Å; L102-T106 PolarHBondContact O-N 3.42Å; L102-T106 PolarHBondContact O-OG1 2.77Å
103L95.9Very high92.4Very high94 Ų94102.5 Ų102.549%0.49251%0.508SS..Hα-helixtrans-66.7-39.3176.2-73.6169.9000112R99 G100 E101 T106 R107R99-L103 WeakPolarHBondContact O-CG 3.49Å; R99-L103 PolarHBondContact O-N 3.18Å; R99-L103 VanDerWaalsContact O-N 3.08Å; G100-L103 PolarHBondContact O-N 2.87Å; E101-L103 VanDerWaalsContact C-N 3.31Å; E101-L103 PolarHBondContact O-N 3.22Å; L103-T106 PolarHBondContact O-N 3.24Å; L103-R107 WeakPolarHBondContact O-CG 3.28Å; L103-R107 PolarHBondContact O-N 3.37Å
104G94.4Very high91.5Very high23 Ų23104.4 Ų104.424%0.23752%0.518CS..Hα-helixtrans-58.6-51.9172.500000111.8G100 E101 T106 R107 E108G100-G104 PolarHBondContact O-N 3.45Å; E101-G104 PolarHBondContact O-N 3.17Å; E101-G104 VanDerWaalsContact O-N 3.16Å; G104-T106 VanDerWaalsContact C-N 3.29Å; G104-T106 PolarHBondContact O-N 2.86Å; G104-R107 WeakPolarHBondContact O-CB 3.48Å; G104-R107 PolarHBondContact O-N 3.31Å; G104-R107 VanDerWaalsContact O-N 3.14Å; G104-E108 WeakPolarHBondContact O-CG 3.28Å; G104-E108 PolarHBondContact O-N 3.47Å
105K93.1Very high90.7Very high114 Ų114107.1 Ų107.150%0.49653%0.528SS..Hα-helixtrans-62.4-33.7177.4-67.3-72.6161-123.80113.1E101 L102 E108 L109E101-K105 WeakPolarHBondContact O-CG 3.31Å; E101-K105 PolarHBondContact O-N 2.87Å; L102-K105 PolarHBondContact O-N 3.26Å; K105-E108 WeakPolarHBondContact CD-OE2 3.48Å; K105-E108 IonicContact NZ-OE1 2.72Å; K105-E108 PolarHBondContact NZ-OE1 2.93Å; K105-E108 IonicContact NZ-OE2 2.67Å; K105-E108 PolarHBondContact NZ-OE2 2.77Å; K105-L109 WeakPolarHBondContact O-CB 3.32Å; K105-L109 VanDerWaalsContact O-CG 3.3Å; K105-L109 WeakPolarHBondContact O-CG 3.42Å; K105-L109 PolarHBondContact O-N 2.91Å
106T92.6Very high90Very high58 Ų58107.4 Ų107.436%0.35653%0.534SS..Hα-helixtrans-65.9-44.3174.3-55.60000111.1L102 L103 G104 L109 E110L102-T106 WeakPolarHBondContact O-CB 3.39Å; L102-T106 PolarHBondContact O-N 3.42Å; L102-T106 PolarHBondContact O-OG1 2.77Å; L103-T106 PolarHBondContact O-N 3.24Å; G104-T106 VanDerWaalsContact C-N 3.29Å; G104-T106 PolarHBondContact O-N 2.86Å; T106-L109 PolarHBondContact O-N 3.39Å; T106-E110 WeakPolarHBondContact O-CG 3.3Å; T106-E110 PolarHBondContact O-N 3.34Å
107R93.7Very high89.1Confident153 Ų153108.5 Ų108.558%0.57753%0.534SS*.Hα-helixtrans-64-45.5175.1-68.2167.7-173.6159.12.4112.1L103 G104 L109 E110 E111L103-R107 WeakPolarHBondContact O-CG 3.28Å; L103-R107 PolarHBondContact O-N 3.37Å; G104-R107 WeakPolarHBondContact O-CB 3.48Å; G104-R107 PolarHBondContact O-N 3.31Å; G104-R107 VanDerWaalsContact O-N 3.14Å; R107-L109 VanDerWaalsContact C-N 3.26Å; R107-L109 PolarHBondContact O-N 3.41Å; R107-E110 PolarHBondContact O-N 2.96Å; R107-E110 VanDerWaalsContact O-N 3.08Å; R107-E111 WeakPolarHBondContact O-CG 3.38Å; R107-E111 PolarHBondContact O-N 2.86Å
108E91.1Very high88.5Confident86 Ų86105.8 Ų105.840%0.40253%0.526SS..Hα-helixtrans-55.8-41.5174.5-71.1170.7-149.700111.6G104 K105 L112G104-E108 WeakPolarHBondContact O-CG 3.28Å; G104-E108 PolarHBondContact O-N 3.47Å; K105-E108 WeakPolarHBondContact CD-OE2 3.48Å; K105-E108 IonicContact NZ-OE1 2.72Å; K105-E108 PolarHBondContact NZ-OE1 2.93Å; K105-E108 IonicContact NZ-OE2 2.67Å; K105-E108 PolarHBondContact NZ-OE2 2.77Å; E108-L112 WeakPolarHBondContact O-CB 3.34Å; E108-L112 VanDerWaalsContact O-CG 3.23Å; E108-L112 WeakPolarHBondContact O-CG 3.48Å; E108-L112 PolarHBondContact O-N 3.43Å
109L85.3Confident88Confident106 Ų106105.8 Ų105.856%0.55553%0.531SS*.Hα-helixtrans-67.8-35.4175.9-76.9168.4000113.1K105 T106 R107 R113K105-L109 WeakPolarHBondContact O-CB 3.32Å; K105-L109 VanDerWaalsContact O-CG 3.3Å; K105-L109 WeakPolarHBondContact O-CG 3.42Å; K105-L109 PolarHBondContact O-N 2.91Å; T106-L109 PolarHBondContact O-N 3.39Å; R107-L109 VanDerWaalsContact C-N 3.26Å; R107-L109 PolarHBondContact O-N 3.41Å; L109-R113 WeakPolarHBondContact O-CB 3.38Å; L109-R113 VanDerWaalsContact O-CG 3.25Å; L109-R113 WeakPolarHBondContact O-CG 3.39Å; L109-R113 PolarHBondContact O-N 3.45Å
110E87.8Confident87.5Confident107 Ų107103.7 Ų103.750%0.553%0.529SS..Hα-helixtrans-69.6-43.2174.4-72.7172.6171.900111.6T106 R107 R113 L114T106-E110 WeakPolarHBondContact O-CG 3.3Å; T106-E110 PolarHBondContact O-N 3.34Å; R107-E110 PolarHBondContact O-N 2.96Å; R107-E110 VanDerWaalsContact O-N 3.08Å; E110-R113 WeakPolarHBondContact O-CB 3.34Å; E110-R113 PolarHBondContact O-N 3.43Å; E110-L114 WeakPolarHBondContact O-CG 3.35Å; E110-L114 PolarHBondContact O-N 2.85Å; E110-L114 VanDerWaalsContact O-N 3.08Å
111E87.4Confident87Confident112 Ų112109.8 Ų109.852%0.52354%0.539SS..Hα-helixtrans-61-46173.9-72.4174.2-166.800111.7R107 R113 L114 Q115R107-E111 WeakPolarHBondContact O-CG 3.38Å; R107-E111 PolarHBondContact O-N 2.86Å; E111-R113 VanDerWaalsContact C-N 3.34Å; E111-R113 PolarHBondContact O-N 2.86Å; E111-L114 PolarHBondContact O-N 3.01Å; E111-L114 VanDerWaalsContact O-N 3.14Å; E111-Q115 WeakPolarHBondContact O-CG 3.5Å; E111-Q115 PolarHBondContact O-N 2.74Å
112L83.9Confident86.6Confident97 Ų97107.3 Ų107.351%0.50853%0.529SS..Hα-helixtrans-62.1-39.6175.2-73.8169.7000111.9E108 L114 Q115 V116E108-L112 WeakPolarHBondContact O-CB 3.34Å; E108-L112 VanDerWaalsContact O-CG 3.23Å; E108-L112 WeakPolarHBondContact O-CG 3.48Å; E108-L112 PolarHBondContact O-N 3.43Å; L112-L114 VanDerWaalsContact C-N 3.26Å; L112-L114 PolarHBondContact O-N 3.42Å; L112-Q115 PolarHBondContact O-N 3.43Å; L112-V116 WeakPolarHBondContact O-CG2 2.84Å; L112-V116 PolarHBondContact O-N 3.15Å
113R81.7Confident86.3Confident190 Ų190107.3 Ų107.372%0.71753%0.526SS*.Hα-helixtrans-62.7-30.2174.3-80.8171.5173.2175.8-0.6113.4L109 E110 E111L109-R113 WeakPolarHBondContact O-CB 3.38Å; L109-R113 VanDerWaalsContact O-CG 3.25Å; L109-R113 WeakPolarHBondContact O-CG 3.39Å; L109-R113 PolarHBondContact O-N 3.45Å; E110-R113 WeakPolarHBondContact O-CB 3.34Å; E110-R113 PolarHBondContact O-N 3.43Å; E111-R113 VanDerWaalsContact C-N 3.34Å; E111-R113 PolarHBondContact O-N 2.86Å
114L78.8Confident86.1Confident151 Ų151108.3 Ų108.379%0.79153%0.531SS*.Hα-helixtrans-80.2-27.8175.3-68.5167.9000112.8E110 E111 L112E110-L114 WeakPolarHBondContact O-CG 3.35Å; E110-L114 PolarHBondContact O-N 2.85Å; E110-L114 VanDerWaalsContact O-N 3.08Å; E111-L114 PolarHBondContact O-N 3.01Å; E111-L114 VanDerWaalsContact O-N 3.14Å; L112-L114 VanDerWaalsContact C-N 3.26Å; L112-L114 PolarHBondContact O-N 3.42Å
115Q78.8Confident85.7Confident143 Ų143111 Ų11167%0.66854%0.54SS*.Hα-helixtrans-79.3-32.1176-69.8176.329.500113.1E111 L112 V117E111-Q115 WeakPolarHBondContact O-CG 3.5Å; E111-Q115 PolarHBondContact O-N 2.74Å; L112-Q115 PolarHBondContact O-N 3.43Å; Q115-V117 PolarHBondContact O-N 3.01Å
116V79.5Confident85.6Confident101 Ų101113.3 Ų113.361%0.61255%0.545SS*.SBendtrans-63.6127.1174.1170.90000109.7L112 T118L112-V116 WeakPolarHBondContact O-CG2 2.84Å; L112-V116 PolarHBondContact O-N 3.15Å; V116-T118 PolarHBondContact O-N 3.44Å
117V76.8Confident85.5Confident79 Ų79113.1 Ų113.148%0.47955%0.549SS..  trans-57.6113.7178.51790000109.5Q115 R121 L122Q115-V117 PolarHBondContact O-N 3.01Å; V117-R121 HydrophobicContact CG1-CB 4.21Å; V117-R121 HydrophobicContact CG1-CG 4.45Å; V117-L122 HydrophobicContact CG1-CB 4.19Å; V117-L122 HydrophobicContact CG1-CD1 4.33Å
118T83.1Confident85.3Confident61 Ų61110.7 Ų110.737%0.37455%0.545SS..  trans-67151.8179.164.90000111V116 Q120 R121 L122V116-T118 PolarHBondContact O-N 3.44Å; T118-Q120 VanDerWaalsContact C-N 3.25Å; T118-Q120 PolarHBondContact O-N 2.91Å; T118-Q120 PolarHBondContact OG1-OE1 3.46Å; T118-R121 PolarHBondContact O-N 2.95Å; T118-R121 WeakPolarHBondContact OG1-CB 3.41Å; T118-R121 PolarHBondContact OG1-N 3.42Å; T118-L122 PolarHBondContact O-N 2.94Å
119P83.4Confident85.1Confident91 Ų91110.5 Ų110.559%0.59155%0.549SS*.Hα-helixtrans-53.3-40.4177.6-28.336.1000113.2R121 L122 E123P119-R121 VanDerWaalsContact C-N 3.32Å; P119-R121 PolarHBondContact O-N 3.49Å; P119-L122 WeakPolarHBondContact O-CB 3.22Å; P119-L122 PolarHBondContact O-N 3.2Å; P119-E123 WeakPolarHBondContact O-CG 3.47Å; P119-E123 PolarHBondContact O-N 3.01Å
120Q84.5Confident85.3Confident124 Ų124110.8 Ų110.858%0.57955%0.548SS*.Hα-helixtrans-64.8-35.9177.5-5392.6-11.200112.2T118 E123 L124T118-Q120 VanDerWaalsContact C-N 3.25Å; T118-Q120 PolarHBondContact O-N 2.91Å; T118-Q120 PolarHBondContact OG1-OE1 3.46Å; Q120-E123 PolarHBondContact O-N 2.93Å; Q120-L124 WeakPolarHBondContact O-CB 3.44Å; Q120-L124 WeakPolarHBondContact O-CG 3.35Å; Q120-L124 PolarHBondContact O-N 3.43Å
121R85.6Confident85.5Confident170 Ų170112.3 Ų112.364%0.64256%0.555SS**Hα-helixtrans-73.6-32.5177.1-168.4166.6-174.91660.8111.7V117 T118 P119 L125V117-R121 HydrophobicContact CG1-CB 4.21Å; V117-R121 HydrophobicContact CG1-CG 4.45Å; T118-R121 PolarHBondContact O-N 2.95Å; T118-R121 WeakPolarHBondContact OG1-CB 3.41Å; T118-R121 PolarHBondContact OG1-N 3.42Å; P119-R121 VanDerWaalsContact C-N 3.32Å; P119-R121 PolarHBondContact O-N 3.49Å; R121-L125 HydrophobicContact CG-CD1 4.46Å; R121-L125 WeakPolarHBondContact O-CB 3.45Å; R121-L125 WeakPolarHBondContact O-CD1 3.44Å; R121-L125 VanDerWaalsContact O-CG 3.29Å; R121-L125 WeakPolarHBondContact O-CG 3.39Å; R121-L125 PolarHBondContact O-N 3.49Å
122L85.9Confident85.4Confident74 Ų74113.2 Ų113.239%0.38756%0.559SS.*Hα-helixtrans-65.8-41.8170.7-166.882000111.5V117 T118 P119 L125 R126V117-L122 HydrophobicContact CG1-CB 4.19Å; V117-L122 HydrophobicContact CG1-CD1 4.33Å; T118-L122 PolarHBondContact O-N 2.94Å; P119-L122 WeakPolarHBondContact O-CB 3.22Å; P119-L122 PolarHBondContact O-N 3.2Å; L122-L125 PolarHBondContact O-N 3.25Å; L122-R126 WeakPolarHBondContact O-CB 3.25Å; L122-R126 VanDerWaalsContact O-CG 3.32Å; L122-R126 WeakPolarHBondContact O-CG 3.47Å; L122-R126 PolarHBondContact O-N 3.42Å
123E88.9Confident85.5Confident120 Ų120115 Ų11556%0.56157%0.566SS**Hα-helixtrans-65.5-43.5175.8-74.4168.4176.900111.9P119 Q120 R126 A127P119-E123 WeakPolarHBondContact O-CG 3.47Å; P119-E123 PolarHBondContact O-N 3.01Å; Q120-E123 PolarHBondContact O-N 2.93Å; E123-R126 PolarHBondContact O-N 3.11Å; E123-A127 WeakPolarHBondContact O-CB 3.45Å; E123-A127 PolarHBondContact O-N 3.17Å
124L91.3Very high86Confident115 Ų115109.1 Ų109.160%0.60255%0.547SS*.Hα-helixtrans-60.7-43.2172.4-76.6166.4000112.1Q120 A127 Q128Q120-L124 WeakPolarHBondContact O-CB 3.44Å; Q120-L124 WeakPolarHBondContact O-CG 3.35Å; Q120-L124 PolarHBondContact O-N 3.43Å; L124-A127 PolarHBondContact O-N 3.44Å; L124-Q128 WeakPolarHBondContact O-CB 3.35Å; L124-Q128 WeakPolarHBondContact O-CG 3.49Å; L124-Q128 PolarHBondContact O-N 3.13Å
125L87.5Confident86.6Confident79 Ų79103.8 Ų103.841%0.41452%0.524SS..Hα-helixtrans-64-40.7175.1-78.9165.3000112R121 L122 Q128 V129R121-L125 HydrophobicContact CG-CD1 4.46Å; R121-L125 WeakPolarHBondContact O-CB 3.45Å; R121-L125 WeakPolarHBondContact O-CD1 3.44Å; R121-L125 VanDerWaalsContact O-CG 3.29Å; R121-L125 WeakPolarHBondContact O-CG 3.39Å; R121-L125 PolarHBondContact O-N 3.49Å; L122-L125 PolarHBondContact O-N 3.25Å; L125-Q128 PolarHBondContact O-N 2.88Å; L125-V129 WeakPolarHBondContact O-CB 3.22Å; L125-V129 VanDerWaalsContact O-CG2 3.3Å; L125-V129 WeakPolarHBondContact O-CG2 3.46Å; L125-V129 PolarHBondContact O-N 2.85Å
126R89.6Confident87.2Confident163 Ų163100.4 Ų100.462%0.61552%0.515SS*.Hα-helixtrans-62.3-44.8173.7-76.2172.3177.5179.5-1111.5L122 E123 V129 Q130L122-R126 WeakPolarHBondContact O-CB 3.25Å; L122-R126 VanDerWaalsContact O-CG 3.32Å; L122-R126 WeakPolarHBondContact O-CG 3.47Å; L122-R126 PolarHBondContact O-N 3.42Å; E123-R126 PolarHBondContact O-N 3.11Å; R126-V129 PolarHBondContact O-N 3.35Å; R126-Q130 WeakPolarHBondContact O-CB 3.11Å; R126-Q130 PolarHBondContact O-N 3Å
127A90.6Very high87.8Confident53 Ų5399.4 Ų99.444%0.43851%0.509SS..Hα-helixtrans-64.8-40.2177.200000112.1E123 L124 Q131E123-A127 WeakPolarHBondContact O-CB 3.45Å; E123-A127 PolarHBondContact O-N 3.17Å; L124-A127 PolarHBondContact O-N 3.44Å; A127-Q131 VanDerWaalsContact O-CB 3.24Å; A127-Q131 WeakPolarHBondContact O-CB 3.38Å; A127-Q131 PolarHBondContact O-N 3.48Å
128Q89.6Confident88.5Confident103 Ų103103 Ų10348%0.48151%0.514SS..Hα-helixtrans-63.8-51.1173.8-78.2-175.7-56.500111.7L124 L125 Q130 Q131 E132L124-Q128 WeakPolarHBondContact O-CB 3.35Å; L124-Q128 WeakPolarHBondContact O-CG 3.49Å; L124-Q128 PolarHBondContact O-N 3.13Å; L125-Q128 PolarHBondContact O-N 2.88Å; Q128-Q130 VanDerWaalsContact C-N 3.29Å; Q128-Q130 PolarHBondContact O-N 3.01Å; Q128-Q131 PolarHBondContact O-N 3.3Å; Q128-Q131 VanDerWaalsContact O-N 3.12Å; Q128-E132 WeakPolarHBondContact O-CB 3.41Å; Q128-E132 WeakPolarHBondContact O-CG 3.26Å; Q128-E132 PolarHBondContact O-N 3.48Å
129V87.8Confident89Confident82 Ų82105.1 Ų105.150%0.49752%0.52SS..Hα-helixtrans-60-41177.5170.10000111L125 R126 E132 M133L125-V129 WeakPolarHBondContact O-CB 3.22Å; L125-V129 VanDerWaalsContact O-CG2 3.3Å; L125-V129 WeakPolarHBondContact O-CG2 3.46Å; L125-V129 PolarHBondContact O-N 2.85Å; R126-V129 PolarHBondContact O-N 3.35Å; V129-E132 PolarHBondContact O-N 3.17Å; V129-M133 WeakPolarHBondContact O-CB 3.33Å; V129-M133 WeakPolarHBondContact O-CG 3.4Å; V129-M133 PolarHBondContact O-N 2.95Å
130Q88.6Confident89.6Confident112 Ų112109.5 Ų109.552%0.52352%0.524SS..Hα-helixtrans-64.9-42175.7-173.3170.20.600111.7R126 Q128 M133 E134R126-Q130 WeakPolarHBondContact O-CB 3.11Å; R126-Q130 PolarHBondContact O-N 3Å; Q128-Q130 VanDerWaalsContact C-N 3.29Å; Q128-Q130 PolarHBondContact O-N 3.01Å; Q130-M133 PolarHBondContact O-N 3.31Å; Q130-E134 HydrophobicContact CG-CG 4.29Å; Q130-E134 WeakPolarHBondContact CG-OE1 3.37Å; Q130-E134 PolarHBondContact NE2-OE1 3.38Å; Q130-E134 VanDerWaalsContact O-CB 3.28Å; Q130-E134 WeakPolarHBondContact O-CB 3.36Å; Q130-E134 VanDerWaalsContact O-CG 3.32Å; Q130-E134 WeakPolarHBondContact O-CG 3.3Å; Q130-E134 PolarHBondContact O-N 2.89Å
131Q92.2Very high89.9Confident138 Ų138109.6 Ų109.665%0.64552%0.523SS*.Hα-helixtrans-65.7-43.3175.9-175.31759.700112.3A127 Q128 M133 E134 A135A127-Q131 VanDerWaalsContact O-CB 3.24Å; A127-Q131 WeakPolarHBondContact O-CB 3.38Å; A127-Q131 PolarHBondContact O-N 3.48Å; Q128-Q131 PolarHBondContact O-N 3.3Å; Q128-Q131 VanDerWaalsContact O-N 3.12Å; Q131-M133 VanDerWaalsContact C-N 3.28Å; Q131-M133 PolarHBondContact O-N 3.18Å; Q131-E134 PolarHBondContact O-N 2.87Å; Q131-A135 WeakPolarHBondContact O-CB 3.44Å; Q131-A135 PolarHBondContact O-N 3.18Å
132E85.8Confident90.4Very high132 Ų132105.7 Ų105.762%0.61752%0.515SS*.Hα-helixtrans-64.1-31.2177.4-74.9173.9-175.800112.5Q128 V129 P136Q128-E132 WeakPolarHBondContact O-CB 3.41Å; Q128-E132 WeakPolarHBondContact O-CG 3.26Å; Q128-E132 PolarHBondContact O-N 3.48Å; V129-E132 PolarHBondContact O-N 3.17Å; E132-P136 WeakPolarHBondContact O-CD 3.29Å; E132-P136 WeakPolarHBondContact O-CG 3.3Å
133M86.3Confident90.8Very high133 Ų133107.4 Ų107.466%0.65552%0.519SS*.Hα-helixtrans-83.9-39.7175.7-67.6-62.4-64.700112.7V129 Q130 Q131 V137V129-M133 WeakPolarHBondContact O-CB 3.33Å; V129-M133 WeakPolarHBondContact O-CG 3.4Å; V129-M133 PolarHBondContact O-N 2.95Å; Q130-M133 PolarHBondContact O-N 3.31Å; Q131-M133 VanDerWaalsContact C-N 3.28Å; Q131-M133 PolarHBondContact O-N 3.18Å; M133-V137 WeakPolarHBondContact O-CG2 3.44Å
134E91.4Very high91Very high68 Ų68105.8 Ų105.832%0.31851%0.514SS..Hα-helixtrans-80.4-37.3-177-71.7-176.3-159.600113.5Q130 Q131 V137 R138Q130-E134 HydrophobicContact CG-CG 4.29Å; Q130-E134 WeakPolarHBondContact CG-OE1 3.37Å; Q130-E134 PolarHBondContact NE2-OE1 3.38Å; Q130-E134 VanDerWaalsContact O-CB 3.28Å; Q130-E134 WeakPolarHBondContact O-CB 3.36Å; Q130-E134 VanDerWaalsContact O-CG 3.32Å; Q130-E134 WeakPolarHBondContact O-CG 3.3Å; Q130-E134 PolarHBondContact O-N 2.89Å; Q131-E134 PolarHBondContact O-N 2.87Å; E134-V137 PolarHBondContact O-N 3.29Å; E134-R138 VanDerWaalsContact O-CG 3.28Å; E134-R138 WeakPolarHBondContact O-CG 3.44Å; E134-R138 PolarHBondContact O-N 2.82Å; E134-R138 IonicContact OE2-CZ 3.92Å; E134-R138 IonicContact OE2-NE 2.68Å; E134-R138 IonicContact OE2-NH2 3.67Å; E134-R138 PolarHBondContact OE2-NH2 3.29Å
135A91.1Very high91.2Very high38 Ų38106.2 Ų106.231%0.31451%0.513SS..Hα-helixtrans-56.5-52-179.300000114Q131 V137 R138 E139Q131-A135 WeakPolarHBondContact O-CB 3.44Å; Q131-A135 PolarHBondContact O-N 3.18Å; A135-V137 VanDerWaalsContact C-N 3.27Å; A135-V137 PolarHBondContact O-N 3.3Å; A135-R138 PolarHBondContact O-N 2.93Å; A135-E139 PolarHBondContact O-N 3.42Å
136P92.4Very high91.6Very high73 Ų73107.6 Ų107.647%0.47452%0.517SS..Hα-helixtrans-66.7-28.8179.927-35.6000112.6E132 R140E132-P136 WeakPolarHBondContact O-CD 3.29Å; E132-P136 WeakPolarHBondContact O-CG 3.3Å; P136-R140 WeakPolarHBondContact O-CB 3.46Å; P136-R140 PolarHBondContact O-N 2.9Å
137V90.8Very high92Very high80 Ų80104 Ų10449%0.48551%0.508SS..Hα-helixtrans-68.6-47.8173.7175.30000110.2M133 E134 A135 E139 R140 F141M133-V137 WeakPolarHBondContact O-CG2 3.44Å; E134-V137 PolarHBondContact O-N 3.29Å; A135-V137 VanDerWaalsContact C-N 3.27Å; A135-V137 PolarHBondContact O-N 3.3Å; V137-E139 PolarHBondContact O-N 3.28Å; V137-R140 PolarHBondContact O-N 3.19Å; V137-F141 HydrophobicContact CG1-CD2 3.86Å; V137-F141 HydrophobicContact CG1-CE2 3.84Å; V137-F141 WeakPolarHBondContact O-CD2 3.35Å; V137-F141 PolarHBondContact O-N 2.78Å
138R92.8Very high92.1Very high154 Ų154103.2 Ų103.258%0.58150%0.501SS*.Hα-helixtrans-59.7-45.2175.2-68172.4-169.2-163.26.2111.7E134 A135 R140 F141 N142E134-R138 VanDerWaalsContact O-CG 3.28Å; E134-R138 WeakPolarHBondContact O-CG 3.44Å; E134-R138 PolarHBondContact O-N 2.82Å; E134-R138 IonicContact OE2-CZ 3.92Å; E134-R138 IonicContact OE2-NE 2.68Å; E134-R138 IonicContact OE2-NH2 3.67Å; E134-R138 PolarHBondContact OE2-NH2 3.29Å; A135-R138 PolarHBondContact O-N 2.93Å; R138-R140 VanDerWaalsContact C-N 3.31Å; R138-R140 PolarHBondContact O-N 3.4Å; R138-F141 PolarHBondContact O-N 3.14Å; R138-N142 VanDerWaalsContact O-CG 3.25Å; R138-N142 PolarHBondContact O-N 3.27Å; R138-N142 PolarHBondContact O-OD1 3.19Å
139E93.1Very high92.5Very high106 Ų106103.5 Ų103.550%0.49550%0.502SS..Hα-helixtrans-60.2-39.8175-77.8-172.3-155.900113A135 V137 N142 K143A135-E139 PolarHBondContact O-N 3.42Å; V137-E139 PolarHBondContact O-N 3.28Å; E139-N142 PolarHBondContact O-N 2.87Å; E139-K143 WeakPolarHBondContact O-CB 3.41Å; E139-K143 WeakPolarHBondContact O-CD 3.3Å; E139-K143 VanDerWaalsContact O-CG 3.29Å; E139-K143 WeakPolarHBondContact O-CG 3.41Å; E139-K143 PolarHBondContact O-N 3.41Å; E139-K143 IonicContact OE2-NZ 2.72Å; E139-K143 PolarHBondContact OE2-NZ 2.87Å
140R95.2Very high93Very high182 Ų182104.5 Ų104.569%0.68750%0.5SS*.Hα-helixtrans-66.4-40.4176.7-173.6179.9179-162.8-1.5111.5P136 V137 R138 K143 L144P136-R140 WeakPolarHBondContact O-CB 3.46Å; P136-R140 PolarHBondContact O-N 2.9Å; V137-R140 PolarHBondContact O-N 3.19Å; R138-R140 VanDerWaalsContact C-N 3.31Å; R138-R140 PolarHBondContact O-N 3.4Å; R140-K143 PolarHBondContact O-N 2.93Å; R140-L144 HydrophobicContact CG-CD1 4.25Å; R140-L144 VanDerWaalsContact O-CG 3.3Å; R140-L144 WeakPolarHBondContact O-CG 3.44Å; R140-L144 PolarHBondContact O-N 3.02Å; R140-L144 VanDerWaalsContact O-N 3.08Å
141F91.7Very high93.3Very high126 Ų126106.4 Ų106.455%0.55350%0.503SS*.Hα-helixtrans-61.4-49.8172.7-89.5-74.7000111.5V137 R138 K143 L144 E145V137-F141 HydrophobicContact CG1-CD2 3.86Å; V137-F141 HydrophobicContact CG1-CE2 3.84Å; V137-F141 WeakPolarHBondContact O-CD2 3.35Å; V137-F141 PolarHBondContact O-N 2.78Å; R138-F141 PolarHBondContact O-N 3.14Å; F141-K143 VanDerWaalsContact C-N 3.31Å; F141-K143 PolarHBondContact O-N 2.99Å; F141-L144 PolarHBondContact O-N 3.1Å; F141-L144 VanDerWaalsContact O-N 3.1Å; F141-E145 WeakPolarHBondContact O-CG 3.47Å; F141-E145 PolarHBondContact O-N 3.11Å
142N95.1Very high93.6Very high89 Ų89106.8 Ų106.848%0.47650%0.499SS..Hα-helixtrans-57.1-43.3178.1-65.70.4000112.1R138 E139 E145 E146R138-N142 VanDerWaalsContact O-CG 3.25Å; R138-N142 PolarHBondContact O-N 3.27Å; R138-N142 PolarHBondContact O-OD1 3.19Å; E139-N142 PolarHBondContact O-N 2.87Å; N142-E145 PolarHBondContact O-N 2.93Å; N142-E146 WeakPolarHBondContact O-CG 3.46Å; N142-E146 PolarHBondContact O-N 3.07Å
143K95.8Very high94.1Very high109 Ų109102.8 Ų102.847%0.47449%0.486SS..Hα-helixtrans-62.2-42.5176.4-73.6163.6-175.1158.30112.1E139 R140 F141 E146 E147E139-K143 WeakPolarHBondContact O-CB 3.41Å; E139-K143 WeakPolarHBondContact O-CD 3.3Å; E139-K143 VanDerWaalsContact O-CG 3.29Å; E139-K143 WeakPolarHBondContact O-CG 3.41Å; E139-K143 PolarHBondContact O-N 3.41Å; E139-K143 IonicContact OE2-NZ 2.72Å; E139-K143 PolarHBondContact OE2-NZ 2.87Å; R140-K143 PolarHBondContact O-N 2.93Å; F141-K143 VanDerWaalsContact C-N 3.31Å; F141-K143 PolarHBondContact O-N 2.99Å; K143-E146 PolarHBondContact O-N 2.99Å; K143-E147 WeakPolarHBondContact O-CB 3.41Å; K143-E147 WeakPolarHBondContact O-CG 3.35Å; K143-E147 PolarHBondContact O-N 2.89Å
144L92.8Very high94.6Very high86 Ų86101.7 Ų101.745%0.4548%0.479SS..Hα-helixtrans-67.3-36176.1-71.2168.7000112.5R140 F141 A148R140-L144 HydrophobicContact CG-CD1 4.25Å; R140-L144 VanDerWaalsContact O-CG 3.3Å; R140-L144 WeakPolarHBondContact O-CG 3.44Å; R140-L144 PolarHBondContact O-N 3.02Å; R140-L144 VanDerWaalsContact O-N 3.08Å; F141-L144 PolarHBondContact O-N 3.1Å; F141-L144 VanDerWaalsContact O-N 3.1Å; L144-A148 WeakPolarHBondContact O-CB 3.49Å; L144-A148 PolarHBondContact O-N 2.85Å
145E95Very high94.9Very high125 Ų125105.5 Ų105.558%0.58449%0.492SS*.Hα-helixtrans-67.1-44173.5-73-178.1175.300111.6F141 N142 E147 A148 E149F141-E145 WeakPolarHBondContact O-CG 3.47Å; F141-E145 PolarHBondContact O-N 3.11Å; N142-E145 PolarHBondContact O-N 2.93Å; E145-E147 PolarHBondContact O-N 3.38Å; E145-A148 PolarHBondContact O-N 3.19Å; E145-E149 WeakPolarHBondContact O-CB 3.19Å; E145-E149 PolarHBondContact O-N 2.76Å
146E97Very high95.2Very high107 Ų107107.6 Ų107.650%0.550%0.498SS..Hα-helixtrans-60.6-42.1173.2-76.7-176.8-15300112.7N142 K143 E149 K150N142-E146 WeakPolarHBondContact O-CG 3.46Å; N142-E146 PolarHBondContact O-N 3.07Å; K143-E146 PolarHBondContact O-N 2.99Å; E146-E149 PolarHBondContact O-N 2.99Å; E146-K150 WeakPolarHBondContact O-CB 3.45Å; E146-K150 VanDerWaalsContact O-CD 3.31Å; E146-K150 WeakPolarHBondContact O-CD 3.36Å; E146-K150 WeakPolarHBondContact O-CG 3.41Å; E146-K150 PolarHBondContact O-N 3.21Å; E146-K150 IonicContact OE2-NZ 3.87Å; E146-K150 PolarHBondContact OE2-NZ 3.44Å
147E96.4Very high95.5Very high89 Ų89110.5 Ų110.542%0.41650%0.502SS..Hα-helixtrans-63-44.9175-76.6170.8-167.700111.2K143 E145 E149 K150 Y151K143-E147 WeakPolarHBondContact O-CB 3.41Å; K143-E147 WeakPolarHBondContact O-CG 3.35Å; K143-E147 PolarHBondContact O-N 2.89Å; E145-E147 PolarHBondContact O-N 3.38Å; E147-E149 VanDerWaalsContact C-N 3.32Å; E147-E149 PolarHBondContact O-N 3.2Å; E147-K150 PolarHBondContact O-N 3.38Å; E147-Y151 HydrophobicContact CB-CE2 4.35Å; E147-Y151 WeakPolarHBondContact O-CD2 3.33Å; E147-Y151 PolarHBondContact O-N 3.36Å
148A94.4Very high95.8Very high36 Ų36112.4 Ų112.430%0.29851%0.509SS..Hα-helixtrans-60.7-40.6175.100000112.1L144 E145 Y151 R152L144-A148 WeakPolarHBondContact O-CB 3.49Å; L144-A148 PolarHBondContact O-N 2.85Å; E145-A148 PolarHBondContact O-N 3.19Å; A148-Y151 PolarHBondContact O-N 2.94Å; A148-R152 WeakPolarHBondContact O-CB 3.43Å; A148-R152 VanDerWaalsContact O-CG 3.26Å; A148-R152 WeakPolarHBondContact O-CG 3.26Å; A148-R152 PolarHBondContact O-N 3.29Å
149E97.3Very high96.1Very high109 Ų109111.9 Ų111.951%0.50951%0.507SS..Hα-helixtrans-70.7-38178.3-152.661.7-159.100112.1E145 E146 E147 R152 S153E145-E149 WeakPolarHBondContact O-CB 3.19Å; E145-E149 PolarHBondContact O-N 2.76Å; E146-E149 PolarHBondContact O-N 2.99Å; E147-E149 VanDerWaalsContact C-N 3.32Å; E147-E149 PolarHBondContact O-N 3.2Å; E149-R152 PolarHBondContact O-N 3.46Å; E149-R152 VanDerWaalsContact OE2-CD 3.32Å; E149-R152 WeakPolarHBondContact OE2-CD 3.49Å; E149-R152 IonicContact OE2-CZ 2.82Å; E149-R152 IonicContact OE2-NE 3.45Å; E149-R152 IonicContact OE2-NH1 3.54Å; E149-R152 PolarHBondContact OE2-NH1 3.11Å; E149-S153 WeakPolarHBondContact O-CB 3.35Å; E149-S153 PolarHBondContact O-N 2.87Å
150K97.6Very high96.3Very high102 Ų102114.6 Ų114.644%0.44351%0.514SS..Hα-helixtrans-57.5-52.4170.2-72.7158.4-164.2158.50110.1E146 E147 R152 S153 E154E146-K150 WeakPolarHBondContact O-CB 3.45Å; E146-K150 VanDerWaalsContact O-CD 3.31Å; E146-K150 WeakPolarHBondContact O-CD 3.36Å; E146-K150 WeakPolarHBondContact O-CG 3.41Å; E146-K150 PolarHBondContact O-N 3.21Å; E146-K150 IonicContact OE2-NZ 3.87Å; E146-K150 PolarHBondContact OE2-NZ 3.44Å; E147-K150 PolarHBondContact O-N 3.38Å; K150-R152 PolarHBondContact O-N 3.37Å; K150-S153 WeakPolarHBondContact O-CB 3.21Å; K150-S153 PolarHBondContact O-N 2.84Å; K150-S153 PolarHBondContact O-OG 3.31Å; K150-E154 WeakPolarHBondContact O-CG 3.38Å; K150-E154 PolarHBondContact O-N 3.4Å
151Y96.1Very high96.4Very high152 Ų152110 Ų11060%0.59650%0.504SS*.Hα-helixtrans-62.8-37.7178.4-67.4-48.6000113.4E147 A148 S153 E154 Y155E147-Y151 HydrophobicContact CB-CE2 4.35Å; E147-Y151 WeakPolarHBondContact O-CD2 3.33Å; E147-Y151 PolarHBondContact O-N 3.36Å; A148-Y151 PolarHBondContact O-N 2.94Å; Y151-S153 VanDerWaalsContact C-N 3.34Å; Y151-S153 PolarHBondContact O-N 2.9Å; Y151-E154 PolarHBondContact O-N 2.86Å; Y151-Y155 VanDerWaalsContact O-CB 3.28Å; Y151-Y155 WeakPolarHBondContact O-CB 3.41Å; Y151-Y155 PolarHBondContact O-N 3.36Å
152R98Very high96.6Very high146 Ų146110.7 Ų110.755%0.55151%0.507SS*.Hα-helixtrans-59.9-43.7171-74.9167-176.11533.9111.4A148 E149 K150 N156A148-R152 WeakPolarHBondContact O-CB 3.43Å; A148-R152 VanDerWaalsContact O-CG 3.26Å; A148-R152 WeakPolarHBondContact O-CG 3.26Å; A148-R152 PolarHBondContact O-N 3.29Å; E149-R152 PolarHBondContact O-N 3.46Å; E149-R152 VanDerWaalsContact OE2-CD 3.32Å; E149-R152 WeakPolarHBondContact OE2-CD 3.49Å; E149-R152 IonicContact OE2-CZ 2.82Å; E149-R152 IonicContact OE2-NE 3.45Å; E149-R152 IonicContact OE2-NH1 3.54Å; E149-R152 PolarHBondContact OE2-NH1 3.11Å; K150-R152 PolarHBondContact O-N 3.37Å; R152-N156 WeakPolarHBondContact O-CB 3.39Å; R152-N156 VanDerWaalsContact O-CG 3.28Å; R152-N156 PolarHBondContact O-N 3.23Å; R152-N156 PolarHBondContact O-ND2 2.91Å; R152-N156 VanDerWaalsContact O-ND2 3.16Å
153S96.9Very high96.7Very high49 Ų49110.4 Ų110.434%0.34351%0.508SS..Hα-helixtrans-66.2-40.6179860000112.5E149 K150 Y151 N156 K157E149-S153 WeakPolarHBondContact O-CB 3.35Å; E149-S153 PolarHBondContact O-N 2.87Å; K150-S153 WeakPolarHBondContact O-CB 3.21Å; K150-S153 PolarHBondContact O-N 2.84Å; K150-S153 PolarHBondContact O-OG 3.31Å; Y151-S153 VanDerWaalsContact C-N 3.34Å; Y151-S153 PolarHBondContact O-N 2.9Å; S153-N156 PolarHBondContact O-N 3.34Å; S153-K157 WeakPolarHBondContact O-CG 3.36Å; S153-K157 PolarHBondContact O-N 3.15Å
154E97Very high96.8Very high110 Ų110107.4 Ų107.451%0.51450%0.499SS..Hα-helixtrans-68-44177.1-72176.7178.300111.7K150 Y151 N156 K157 L158K150-E154 WeakPolarHBondContact O-CG 3.38Å; K150-E154 PolarHBondContact O-N 3.4Å; Y151-E154 PolarHBondContact O-N 2.86Å; E154-N156 VanDerWaalsContact C-N 3.32Å; E154-N156 PolarHBondContact O-N 3.48Å; E154-K157 PolarHBondContact O-N 3.39Å; E154-L158 WeakPolarHBondContact O-CB 3.27Å; E154-L158 PolarHBondContact O-N 2.87Å
155Y96.9Very high96.9Very high148 Ų148107.4 Ų107.458%0.5850%0.502SS*.Hα-helixtrans-58.1-44.5173175.1-95.4000111.7Y151 L158 R159Y151-Y155 VanDerWaalsContact O-CB 3.28Å; Y151-Y155 WeakPolarHBondContact O-CB 3.41Å; Y151-Y155 PolarHBondContact O-N 3.36Å; Y155-L158 PolarHBondContact O-N 3.46Å; Y155-R159 VanDerWaalsContact O-CB 3.27Å; Y155-R159 WeakPolarHBondContact O-CB 3.46Å; Y155-R159 PolarHBondContact O-N 2.95Å
156N97.9Very high97Very high82 Ų82106.5 Ų106.544%0.43950%0.496SS..Hα-helixtrans-64.6-40.5178.5-77.6-31.3000112.6R152 S153 E154 Y160R152-N156 WeakPolarHBondContact O-CB 3.39Å; R152-N156 VanDerWaalsContact O-CG 3.28Å; R152-N156 PolarHBondContact O-N 3.23Å; R152-N156 PolarHBondContact O-ND2 2.91Å; R152-N156 VanDerWaalsContact O-ND2 3.16Å; S153-N156 PolarHBondContact O-N 3.34Å; E154-N156 VanDerWaalsContact C-N 3.32Å; E154-N156 PolarHBondContact O-N 3.48Å; N156-Y160 PolarHBondContact O-N 3.41Å; N156-Y160 VanDerWaalsContact O-N 3.11Å
157K98.2Very high96.9Very high133 Ų133104.3 Ų104.358%0.57849%0.493SS*.Hα-helixtrans-61.5-53.5172.1-71.8168.1-178.9171.60111.1S153 E154 R159 Y160 D161S153-K157 WeakPolarHBondContact O-CG 3.36Å; S153-K157 PolarHBondContact O-N 3.15Å; E154-K157 PolarHBondContact O-N 3.39Å; K157-R159 VanDerWaalsContact C-N 3.27Å; K157-R159 PolarHBondContact O-N 2.9Å; K157-Y160 WeakPolarHBondContact O-CA 3.43Å; K157-Y160 WeakPolarHBondContact O-CB 3.49Å; K157-Y160 PolarHBondContact O-N 3.18Å; K157-D161 PolarHBondContact O-N 3.44Å
158L96.9Very high96.9Very high120 Ų120105.2 Ų105.263%0.62850%0.497SS*.Hα-helixtrans-59.7-36.3-179.3-175.763.2000112.4E154 Y155 F162E154-L158 WeakPolarHBondContact O-CB 3.27Å; E154-L158 PolarHBondContact O-N 2.87Å; Y155-L158 PolarHBondContact O-N 3.46Å; L158-F162 WeakPolarHBondContact O-CB 3.18Å; L158-F162 PolarHBondContact O-N 2.93Å
159R98.1Very high97Very high143 Ų143107.2 Ų107.254%0.5450%0.503SS..Hα-helixtrans-66.6-38.2174.3-170.1-174.172.9166.62.4112.3Y155 K157 T163Y155-R159 VanDerWaalsContact O-CB 3.27Å; Y155-R159 WeakPolarHBondContact O-CB 3.46Å; Y155-R159 PolarHBondContact O-N 2.95Å; K157-R159 VanDerWaalsContact C-N 3.27Å; K157-R159 PolarHBondContact O-N 2.9Å; R159-T163 PolarHBondContact O-N 2.73Å; R159-T163 PolarHBondContact O-OG1 3.02Å
160Y98.1Very high97Very high163 Ų163106.1 Ų106.164%0.63950%0.497SS*.Hα-helixtrans-66.6-51.7174.2-178.8-94.2000110.6N156 K157 F162 T163 V164N156-Y160 PolarHBondContact O-N 3.41Å; N156-Y160 VanDerWaalsContact O-N 3.11Å; K157-Y160 WeakPolarHBondContact O-CA 3.43Å; K157-Y160 WeakPolarHBondContact O-CB 3.49Å; K157-Y160 PolarHBondContact O-N 3.18Å; Y160-F162 VanDerWaalsContact C-N 3.33Å; Y160-F162 PolarHBondContact O-N 3.42Å; Y160-T163 WeakPolarHBondContact O-CA 3.35Å; Y160-T163 WeakPolarHBondContact O-CB 3.41Å; Y160-T163 PolarHBondContact O-N 2.76Å; Y160-V164 HydrophobicContact CD1-CG2 4.1Å; Y160-V164 HydrophobicContact CE1-CG2 3.7Å; Y160-V164 PolarHBondContact O-N 3.19Å
161D96.7Very high96.9Very high87 Ų87105.8 Ų105.847%0.46550%0.497SS..Hα-helixtrans-59.4-42.5179.5-62.5-24.4000111.8K157 T163 V164 V165K157-D161 PolarHBondContact O-N 3.44Å; D161-T163 VanDerWaalsContact C-N 3.29Å; D161-T163 PolarHBondContact O-N 3.16Å; D161-V164 PolarHBondContact O-N 3.11Å; D161-V165 WeakPolarHBondContact O-CB 3.45Å; D161-V165 WeakPolarHBondContact O-CG2 3.35Å; D161-V165 PolarHBondContact O-N 3.42Å
162F96.2Very high97Very high140 Ų140103.9 Ų103.961%0.61449%0.494SS*.Hα-helixtrans-58.6-40.3173.5174.9-99.7000112.3L158 Y160 K166L158-F162 WeakPolarHBondContact O-CB 3.18Å; L158-F162 PolarHBondContact O-N 2.93Å; Y160-F162 VanDerWaalsContact C-N 3.33Å; Y160-F162 PolarHBondContact O-N 3.42Å; F162-K166 WeakPolarHBondContact O-CB 3.32Å; F162-K166 PolarHBondContact O-N 3Å
163T97.6Very high96.9Very high83 Ų83104.9 Ų104.951%0.50950%0.497SS..Hα-helixtrans-68.2-43178.7-57.10000110.9R159 Y160 D161 K166 S167R159-T163 PolarHBondContact O-N 2.73Å; R159-T163 PolarHBondContact O-OG1 3.02Å; Y160-T163 WeakPolarHBondContact O-CA 3.35Å; Y160-T163 WeakPolarHBondContact O-CB 3.41Å; Y160-T163 PolarHBondContact O-N 2.76Å; D161-T163 VanDerWaalsContact C-N 3.29Å; D161-T163 PolarHBondContact O-N 3.16Å; T163-K166 PolarHBondContact O-N 3.3Å; T163-S167 PolarHBondContact O-N 2.87Å; T163-S167 PolarHBondContact O-OG 2.87Å
164V97.4Very high96.9Very high46 Ų46107.3 Ų107.328%0.27950%0.503SS..Hα-helixtrans-61.6-52.7175.3174.80000110.6Y160 D161 K166 S167 Q168Y160-V164 HydrophobicContact CD1-CG2 4.1Å; Y160-V164 HydrophobicContact CE1-CG2 3.7Å; Y160-V164 PolarHBondContact O-N 3.19Å; D161-V164 PolarHBondContact O-N 3.11Å; V164-K166 VanDerWaalsContact C-N 3.31Å; V164-K166 PolarHBondContact O-N 3.43Å; V164-S167 PolarHBondContact O-N 3.41Å; V164-S167 VanDerWaalsContact O-N 3.15Å; V164-S167 PolarHBondContact O-OG 2.98Å; V164-Q168 HydrophobicContact CG1-CG 4.48Å; V164-Q168 WeakPolarHBondContact O-CG 3.35Å; V164-Q168 PolarHBondContact O-N 3.24Å
165V96.1Very high96.9Very high86 Ų86106.1 Ų106.152%0.52150%0.498SS..Hα-helixtrans-60.7-39.3179.31720000111.7D161 Q168 L169D161-V165 WeakPolarHBondContact O-CB 3.45Å; D161-V165 WeakPolarHBondContact O-CG2 3.35Å; D161-V165 PolarHBondContact O-N 3.42Å; V165-Q168 PolarHBondContact O-N 2.86Å; V165-L169 WeakPolarHBondContact O-CB 3.48Å; V165-L169 PolarHBondContact O-N 3.06Å
166K97.1Very high96.8Very high105 Ų105104.6 Ų104.646%0.45750%0.496SS..Hα-helixtrans-60.9-48.1174.8-176.4-178165.1-173.30111.3F162 T163 V164 Q168 L169 E170F162-K166 WeakPolarHBondContact O-CB 3.32Å; F162-K166 PolarHBondContact O-N 3Å; T163-K166 PolarHBondContact O-N 3.3Å; V164-K166 VanDerWaalsContact C-N 3.31Å; V164-K166 PolarHBondContact O-N 3.43Å; K166-Q168 PolarHBondContact O-N 3.22Å; K166-L169 PolarHBondContact O-N 3.19Å; K166-E170 WeakPolarHBondContact CE-OE1 3.33Å; K166-E170 IonicContact NZ-OE1 3.52Å; K166-E170 WeakPolarHBondContact O-CG 3.5Å; K166-E170 PolarHBondContact O-N 3.45Å
167S94.6Very high96.7Very high62 Ų62104.5 Ų104.543%0.43450%0.502SS..Hα-helixtrans-63.9-37.8178.669.50000113.1T163 V164 E170 H171T163-S167 PolarHBondContact O-N 2.87Å; T163-S167 PolarHBondContact O-OG 2.87Å; V164-S167 PolarHBondContact O-N 3.41Å; V164-S167 VanDerWaalsContact O-N 3.15Å; V164-S167 PolarHBondContact O-OG 2.98Å; S167-E170 PolarHBondContact O-N 2.88Å; S167-H171 WeakPolarHBondContact O-CB 3.46Å; S167-H171 PolarHBondContact O-N 3.29Å
168Q96.6Very high96.7Very high107 Ų107104.7 Ų104.750%0.550%0.499SS..Hα-helixtrans-64-41174.3-71.9173.6-8.900112.1V164 V165 K166 H171 Q172V164-Q168 HydrophobicContact CG1-CG 4.48Å; V164-Q168 WeakPolarHBondContact O-CG 3.35Å; V164-Q168 PolarHBondContact O-N 3.24Å; V165-Q168 PolarHBondContact O-N 2.86Å; K166-Q168 PolarHBondContact O-N 3.22Å; Q168-H171 PolarHBondContact O-N 3.43Å; Q168-Q172 WeakPolarHBondContact O-CG 3.39Å; Q168-Q172 PolarHBondContact O-N 3.39Å
169L94.9Very high96.7Very high79 Ų79102.4 Ų102.441%0.41449%0.486SS..Hα-helixtrans-70.4-35.2177.7178.1134.4000112.5V165 K166 R173V165-L169 WeakPolarHBondContact O-CB 3.48Å; V165-L169 PolarHBondContact O-N 3.06Å; K166-L169 PolarHBondContact O-N 3.19Å; L169-R173 WeakPolarHBondContact O-CD 3.42Å; L169-R173 VanDerWaalsContact O-CG 3.22Å; L169-R173 WeakPolarHBondContact O-CG 3.49Å; L169-R173 PolarHBondContact O-N 2.97Å
170E97.1Very high96.5Very high86 Ų86101.2 Ų101.240%0.40249%0.49SS..Hα-helixtrans-65.4-46.7171.3-73.8168.8168.700110.6K166 S167 R173 E174K166-E170 WeakPolarHBondContact CE-OE1 3.33Å; K166-E170 IonicContact NZ-OE1 3.52Å; K166-E170 WeakPolarHBondContact O-CG 3.5Å; K166-E170 PolarHBondContact O-N 3.45Å; S167-E170 PolarHBondContact O-N 2.88Å; E170-R173 WeakPolarHBondContact O-CB 3.45Å; E170-R173 PolarHBondContact O-N 3.39Å; E170-E174 PolarHBondContact O-N 2.87Å; E170-E174 VanDerWaalsContact O-N 3.08Å
171H97.3Very high96.4Very high95 Ų9598 Ų9844%0.4448%0.481SS..Hα-helixtrans-59.6-48.3176.2-17942.5000113.1S167 Q168 R173 E174 E175S167-H171 WeakPolarHBondContact O-CB 3.46Å; S167-H171 PolarHBondContact O-N 3.29Å; Q168-H171 PolarHBondContact O-N 3.43Å; H171-R173 VanDerWaalsContact C-N 3.29Å; H171-R173 PolarHBondContact O-N 3.02Å; H171-E174 WeakPolarHBondContact O-CB 3.37Å; H171-E174 PolarHBondContact O-N 3.37Å; H171-E174 VanDerWaalsContact O-N 3.13Å; H171-E175 IonicContact CE1-OE1 3.56Å; H171-E175 PolarHBondContact CE1-OE1 2.88Å; H171-E175 IonicContact NE2-OE1 2.65Å; H171-E175 PolarHBondContact O-N 3.39Å
172Q96.4Very high96.4Very high111 Ų11199.6 Ų99.652%0.51949%0.485SS..Hα-helixtrans-61-36.1177.1-76.5-179.4-10.100112.7Q168 E175 H176Q168-Q172 WeakPolarHBondContact O-CG 3.39Å; Q168-Q172 PolarHBondContact O-N 3.39Å; Q172-E175 PolarHBondContact O-N 3.17Å; Q172-H176 WeakPolarHBondContact O-CB 3.25Å; Q172-H176 PolarHBondContact O-CD2 3.44Å; Q172-H176 VanDerWaalsContact O-CG 3.23Å; Q172-H176 PolarHBondContact O-N 2.89Å
173R96.9Very high96.3Very high167 Ų167100.2 Ų100.263%0.6348%0.484SS*.Hα-helixtrans-64.3-42.7174.5-76.2168.6172.4-172.3-2.6111.7L169 E170 H171 S177L169-R173 WeakPolarHBondContact O-CD 3.42Å; L169-R173 VanDerWaalsContact O-CG 3.22Å; L169-R173 WeakPolarHBondContact O-CG 3.49Å; L169-R173 PolarHBondContact O-N 2.97Å; E170-R173 WeakPolarHBondContact O-CB 3.45Å; E170-R173 PolarHBondContact O-N 3.39Å; H171-R173 VanDerWaalsContact C-N 3.29Å; H171-R173 PolarHBondContact O-N 3.02Å; R173-S177 WeakPolarHBondContact O-CB 3.48Å; R173-S177 PolarHBondContact O-N 2.91Å
174E96.8Very high96.3Very high100 Ų100102.5 Ų102.547%0.46748%0.483SS..Hα-helixtrans-63.9-45.5175-70.6-175.6-160.200112.1E170 H171 H176 S177 R178E170-E174 PolarHBondContact O-N 2.87Å; E170-E174 VanDerWaalsContact O-N 3.08Å; H171-E174 WeakPolarHBondContact O-CB 3.37Å; H171-E174 PolarHBondContact O-N 3.37Å; H171-E174 VanDerWaalsContact O-N 3.13Å; E174-H176 PolarHBondContact O-N 2.92Å; E174-S177 WeakPolarHBondContact O-CB 3.34Å; E174-S177 PolarHBondContact O-N 2.93Å; E174-R178 WeakPolarHBondContact O-CG 3.32Å; E174-R178 PolarHBondContact O-N 2.99Å; E174-R178 IonicContact OE2-CZ 2.74Å; E174-R178 IonicContact OE2-NH2 3.88Å; E174-R178 PolarHBondContact OE2-NH2 3.47Å
175E96.9Very high96.2Very high85 Ų85104.1 Ų104.140%0.39749%0.493SS..Hα-helixtrans-60.7-45.7177.5-70.4-167.9137.900111.9H171 Q172 S177 R178 I179H171-E175 IonicContact CE1-OE1 3.56Å; H171-E175 PolarHBondContact CE1-OE1 2.88Å; H171-E175 IonicContact NE2-OE1 2.65Å; H171-E175 PolarHBondContact O-N 3.39Å; Q172-E175 PolarHBondContact O-N 3.17Å; E175-S177 VanDerWaalsContact C-N 3.31Å; E175-S177 PolarHBondContact O-N 2.95Å; E175-R178 PolarHBondContact O-N 3.02Å; E175-I179 VanDerWaalsContact O-CG1 3.31Å; E175-I179 WeakPolarHBondContact O-CG1 3.24Å; E175-I179 PolarHBondContact O-N 3.24Å
176H95.3Very high96.2Very high117 Ų117105.9 Ų105.954%0.54250%0.499SS..Hα-helixtrans-61.4-38.8174.8-69.4-33.9000112.3Q172 E174 L180Q172-H176 WeakPolarHBondContact O-CB 3.25Å; Q172-H176 PolarHBondContact O-CD2 3.44Å; Q172-H176 VanDerWaalsContact O-CG 3.23Å; Q172-H176 PolarHBondContact O-N 2.89Å; E174-H176 PolarHBondContact O-N 2.92Å; H176-L180 WeakPolarHBondContact O-CB 3.36Å; H176-L180 VanDerWaalsContact O-CG 3.28Å; H176-L180 WeakPolarHBondContact O-CG 3.46Å; H176-L180 PolarHBondContact O-N 2.84Å; H176-L180 VanDerWaalsContact O-N 3.08Å
177S95.6Very high96Very high80 Ų80107.3 Ų107.356%0.55951%0.507SS*.Hα-helixtrans-63.7-40.5174.7-167.10000112.4R173 E174 E175 E181R173-S177 WeakPolarHBondContact O-CB 3.48Å; R173-S177 PolarHBondContact O-N 2.91Å; E174-S177 WeakPolarHBondContact O-CB 3.34Å; E174-S177 PolarHBondContact O-N 2.93Å; E175-S177 VanDerWaalsContact C-N 3.31Å; E175-S177 PolarHBondContact O-N 2.95Å; S177-E181 PolarHBondContact O-N 3.33Å
178R97.8Very high95.9Very high137 Ų137109.1 Ų109.152%0.51751%0.508SS..Hα-helixtrans-66-48.1177.1-67.7171-160.7-178.28.1111.4E174 E175 L180 E181 E182E174-R178 WeakPolarHBondContact O-CG 3.32Å; E174-R178 PolarHBondContact O-N 2.99Å; E174-R178 IonicContact OE2-CZ 2.74Å; E174-R178 IonicContact OE2-NH2 3.88Å; E174-R178 PolarHBondContact OE2-NH2 3.47Å; E175-R178 PolarHBondContact O-N 3.02Å; R178-L180 VanDerWaalsContact C-N 3.27Å; R178-L180 PolarHBondContact O-N 2.95Å; R178-E181 PolarHBondContact O-N 2.82Å; R178-E181 VanDerWaalsContact O-N 3.16Å; R178-E182 WeakPolarHBondContact O-CB 3.34Å; R178-E182 WeakPolarHBondContact O-CG 3.45Å; R178-E182 PolarHBondContact O-N 3.48Å
179I97.1Very high95.8Very high71 Ų71106.9 Ų106.936%0.36451%0.508SS..Hα-helixtrans-60.4-35.9178.6-67.3162.9000111.8E175 R183E175-I179 VanDerWaalsContact O-CG1 3.31Å; E175-I179 WeakPolarHBondContact O-CG1 3.24Å; E175-I179 PolarHBondContact O-N 3.24Å; I179-R183 WeakPolarHBondContact O-CB 3.26Å; I179-R183 WeakPolarHBondContact O-CG 3.49Å; I179-R183 PolarHBondContact O-N 3.47Å
180L94.6Very high95.8Very high118 Ų118107 Ų10762%0.61851%0.507SS*.Hα-helixtrans-67.5-43.7176.3-75.2170.5000112H176 R178 R183 R184H176-L180 WeakPolarHBondContact O-CB 3.36Å; H176-L180 VanDerWaalsContact O-CG 3.28Å; H176-L180 WeakPolarHBondContact O-CG 3.46Å; H176-L180 PolarHBondContact O-N 2.84Å; H176-L180 VanDerWaalsContact O-N 3.08Å; R178-L180 VanDerWaalsContact C-N 3.27Å; R178-L180 PolarHBondContact O-N 2.95Å; L180-R183 PolarHBondContact O-N 3.03Å; L180-R184 WeakPolarHBondContact O-CB 3.28Å; L180-R184 PolarHBondContact O-N 2.88Å
181E96.1Very high95.3Very high95 Ų95106.8 Ų106.844%0.44451%0.511SS..Hα-helixtrans-70.5-39.9178.5-164.165.4-173.700111.9S177 R178 R183 R184 V185S177-E181 PolarHBondContact O-N 3.33Å; R178-E181 PolarHBondContact O-N 2.82Å; R178-E181 VanDerWaalsContact O-N 3.16Å; E181-R183 PolarHBondContact O-N 3.33Å; E181-R184 WeakPolarHBondContact O-CB 3.36Å; E181-R184 PolarHBondContact O-N 2.85Å; E181-R184 IonicContact OE1-CZ 2.79Å; E181-R184 IonicContact OE1-NH1 3.92Å; E181-R184 PolarHBondContact OE1-NH1 2.68Å; E181-R184 IonicContact OE2-NH1 3.6Å; E181-V185 WeakPolarHBondContact O-CG2 3.48Å; E181-V185 PolarHBondContact O-N 3.37Å
182E95.8Very high95.1Very high121 Ų121105 Ų10557%0.56551%0.513SS*.Hα-helixtrans-56.7-47.2171.7-74.5171.2-171.500111.7R178 R184 V185 L186R178-E182 WeakPolarHBondContact O-CB 3.34Å; R178-E182 WeakPolarHBondContact O-CG 3.45Å; R178-E182 PolarHBondContact O-N 3.48Å; E182-R184 VanDerWaalsContact C-N 3.33Å; E182-R184 PolarHBondContact O-N 3.1Å; E182-V185 PolarHBondContact O-N 2.92Å; E182-L186 WeakPolarHBondContact O-CG 3.49Å; E182-L186 PolarHBondContact O-N 3.07Å; E182-L186 VanDerWaalsContact O-N 3.09Å
183R94.4Very high95.1Very high154 Ų154104.7 Ų104.758%0.58151%0.507SS*.Hα-helixtrans-62.1-41.4176.3-77.4174.4-179-154.40.4111.8I179 L180 E181 L186 H187I179-R183 WeakPolarHBondContact O-CB 3.26Å; I179-R183 WeakPolarHBondContact O-CG 3.49Å; I179-R183 PolarHBondContact O-N 3.47Å; L180-R183 PolarHBondContact O-N 3.03Å; E181-R183 PolarHBondContact O-N 3.33Å; R183-L186 PolarHBondContact O-N 3.37Å; R183-H187 PolarHBondContact O-N 2.91Å; R183-H187 VanDerWaalsContact O-N 3.1Å; R183-H187 PolarHBondContact O-ND1 2.93Å
184R97.1Very high94.7Very high130 Ų130100.9 Ų100.949%0.49150%0.499SS..Hα-helixtrans-59.4-51.5178177.9-174.3167.7-154.6-4.9111.1L180 E181 E182 L186 H187 E188L180-R184 WeakPolarHBondContact O-CB 3.28Å; L180-R184 PolarHBondContact O-N 2.88Å; E181-R184 WeakPolarHBondContact O-CB 3.36Å; E181-R184 PolarHBondContact O-N 2.85Å; E181-R184 IonicContact OE1-CZ 2.79Å; E181-R184 IonicContact OE1-NH1 3.92Å; E181-R184 PolarHBondContact OE1-NH1 2.68Å; E181-R184 IonicContact OE2-NH1 3.6Å; E182-R184 VanDerWaalsContact C-N 3.33Å; E182-R184 PolarHBondContact O-N 3.1Å; R184-L186 VanDerWaalsContact C-N 3.3Å; R184-L186 PolarHBondContact O-N 3.41Å; R184-H187 PolarHBondContact O-N 2.89Å; R184-H187 VanDerWaalsContact O-N 3.12Å; R184-E188 WeakPolarHBondContact CG-OE1 3.29Å; R184-E188 IonicContact CZ-OE1 3.58Å; R184-E188 IonicContact NE-OE1 3.44Å; R184-E188 PolarHBondContact NE-OE1 2.75Å; R184-E188 IonicContact NH2-OE1 2.7Å; R184-E188 PolarHBondContact NH2-OE1 3.5Å; R184-E188 WeakPolarHBondContact O-CG 3.42Å; R184-E188 PolarHBondContact O-N 3.48Å
185V95.3Very high94.3Very high80 Ų80100.7 Ų100.749%0.48550%0.497SS..Hα-helixtrans-58.9-40.1178.7173.20000111.7E181 E182 H187 E188 A189E181-V185 WeakPolarHBondContact O-CG2 3.48Å; E181-V185 PolarHBondContact O-N 3.37Å; E182-V185 PolarHBondContact O-N 2.92Å; V185-H187 PolarHBondContact O-N 3.43Å; V185-E188 PolarHBondContact O-N 2.76Å; V185-A189 WeakPolarHBondContact O-CB 3.48Å; V185-A189 PolarHBondContact O-N 3.17Å
186L96.6Very high94Very high124 Ų124102.5 Ų102.565%0.64950%0.504SS*.Hα-helixtrans-64.3-38.2176.2-71.4172.6000113.2E182 R183 R184 E190E182-L186 WeakPolarHBondContact O-CG 3.49Å; E182-L186 PolarHBondContact O-N 3.07Å; E182-L186 VanDerWaalsContact O-N 3.09Å; R183-L186 PolarHBondContact O-N 3.37Å; R184-L186 VanDerWaalsContact C-N 3.3Å; R184-L186 PolarHBondContact O-N 3.41Å; L186-E190 PolarHBondContact O-N 3.19Å; L186-E190 VanDerWaalsContact O-N 3.17Å
187H92.1Very high93.7Very high134 Ų134100.9 Ų100.962%0.6250%0.497SS*.Hα-helixtrans-70.6-41.6176-73.274.1000111.6R183 R184 V185 A189 E190 V191R183-H187 PolarHBondContact O-N 2.91Å; R183-H187 VanDerWaalsContact O-N 3.1Å; R183-H187 PolarHBondContact O-ND1 2.93Å; R184-H187 PolarHBondContact O-N 2.89Å; R184-H187 VanDerWaalsContact O-N 3.12Å; V185-H187 PolarHBondContact O-N 3.43Å; H187-A189 VanDerWaalsContact C-N 3.28Å; H187-A189 PolarHBondContact O-N 3.45Å; H187-E190 PolarHBondContact O-N 2.87Å; H187-V191 WeakPolarHBondContact O-CG2 3.4Å; H187-V191 PolarHBondContact O-N 3.4Å; H187-V191 VanDerWaalsContact O-N 3.11Å
188E94Very high93.3Very high101 Ų101103.4 Ų103.447%0.47249%0.494SS..Hα-helixtrans-59.8-39.1176-70.6175-176.900111.2R184 V185 A192R184-E188 WeakPolarHBondContact CG-OE1 3.29Å; R184-E188 IonicContact CZ-OE1 3.58Å; R184-E188 IonicContact NE-OE1 3.44Å; R184-E188 PolarHBondContact NE-OE1 2.75Å; R184-E188 IonicContact NH2-OE1 2.7Å; R184-E188 PolarHBondContact NH2-OE1 3.5Å; R184-E188 WeakPolarHBondContact O-CG 3.42Å; R184-E188 PolarHBondContact O-N 3.48Å; V185-E188 PolarHBondContact O-N 2.76Å; E188-A192 PolarHBondContact O-N 3.17Å
189A93.6Very high92.6Very high60 Ų60102.2 Ų102.250%0.49649%0.494SS..Hα-helixtrans-68.2-39.7175.900000114V185 H187 A192 R193V185-A189 WeakPolarHBondContact O-CB 3.48Å; V185-A189 PolarHBondContact O-N 3.17Å; H187-A189 VanDerWaalsContact C-N 3.28Å; H187-A189 PolarHBondContact O-N 3.45Å; A189-A192 PolarHBondContact O-N 2.93Å; A189-R193 PolarHBondContact O-N 3.45Å; A189-R193 VanDerWaalsContact O-N 3.14Å
190E94.2Very high92Very high81 Ų81103 Ų10338%0.37950%0.497SS..Hα-helixtrans-69.8-36.7179.7177.759.6-170.300112.3L186 H187 R193 L194L186-E190 PolarHBondContact O-N 3.19Å; L186-E190 VanDerWaalsContact O-N 3.17Å; H187-E190 PolarHBondContact O-N 2.87Å; E190-R193 WeakPolarHBondContact O-CB 3.43Å; E190-R193 PolarHBondContact O-N 3.49Å; E190-R193 IonicContact OE1-CZ 3.81Å; E190-R193 IonicContact OE1-NE 3.52Å; E190-R193 PolarHBondContact OE1-NE 3.01Å; E190-R193 IonicContact OE1-NH2 3.46Å; E190-R193 PolarHBondContact OE1-NH2 3.29Å; E190-R193 IonicContact OE2-CZ 3.35Å; E190-R193 IonicContact OE2-NE 3.49Å; E190-R193 PolarHBondContact OE2-NE 3.16Å; E190-R193 IonicContact OE2-NH2 2.77Å; E190-L194 HydrophobicContact CG-CD1 4.19Å; E190-L194 WeakPolarHBondContact O-CG 3.4Å; E190-L194 PolarHBondContact O-N 3.23Å; E190-L194 VanDerWaalsContact O-N 3.08Å
191V88.3Confident91.2Very high82 Ų82102.1 Ų102.150%0.49749%0.492SS..Hα-helixtrans-59.3-49.4173.3171.40000110.5H187 R193 L194 E195H187-V191 WeakPolarHBondContact O-CG2 3.4Å; H187-V191 PolarHBondContact O-N 3.4Å; H187-V191 VanDerWaalsContact O-N 3.11Å; V191-R193 PolarHBondContact O-N 3Å; V191-L194 PolarHBondContact O-N 2.89Å; V191-E195 WeakPolarHBondContact O-CG 3.28Å; V191-E195 PolarHBondContact O-N 2.88Å
192A92.9Very high90Very high58 Ų58101.9 Ų101.948%0.47950%0.497SS..Hα-helixtrans-61.1-32.1178.200000113.1E188 A189E188-A192 PolarHBondContact O-N 3.17Å; A189-A192 PolarHBondContact O-N 2.93Å
193R96.4Very high88.7Confident104 Ų10499 Ų9939%0.39249%0.493SS..Hα-helixtrans-66.5-48.1174.7-167.5-172.970.871.613.4111.6A189 E190 V191 K196 E197A189-R193 PolarHBondContact O-N 3.45Å; A189-R193 VanDerWaalsContact O-N 3.14Å; E190-R193 WeakPolarHBondContact O-CB 3.43Å; E190-R193 PolarHBondContact O-N 3.49Å; E190-R193 IonicContact OE1-CZ 3.81Å; E190-R193 IonicContact OE1-NE 3.52Å; E190-R193 PolarHBondContact OE1-NE 3.01Å; E190-R193 IonicContact OE1-NH2 3.46Å; E190-R193 PolarHBondContact OE1-NH2 3.29Å; E190-R193 IonicContact OE2-CZ 3.35Å; E190-R193 IonicContact OE2-NE 3.49Å; E190-R193 PolarHBondContact OE2-NE 3.16Å; E190-R193 IonicContact OE2-NH2 2.77Å; V191-R193 PolarHBondContact O-N 3Å; R193-K196 WeakPolarHBondContact O-CB 3.49Å; R193-K196 PolarHBondContact O-N 2.97Å; R193-E197 IonicContact CZ-OE1 3.59Å; R193-E197 IonicContact CZ-OE2 2.75Å; R193-E197 IonicContact NH1-OE1 2.69Å; R193-E197 PolarHBondContact NH1-OE1 3.47Å; R193-E197 IonicContact NH1-OE2 3.95Å; R193-E197 PolarHBondContact NH1-OE2 3.17Å; R193-E197 IonicContact NH2-OE2 2.73Å; R193-E197 PolarHBondContact O-N 2.81Å
194L88.6Confident87.5Confident87 Ų8797.4 Ų97.446%0.45549%0.493SS..Hα-helixtrans-67.5-35.4-177.5-70.4169000113E190 V191 K196 E197 R198E190-L194 HydrophobicContact CG-CD1 4.19Å; E190-L194 WeakPolarHBondContact O-CG 3.4Å; E190-L194 PolarHBondContact O-N 3.23Å; E190-L194 VanDerWaalsContact O-N 3.08Å; V191-L194 PolarHBondContact O-N 2.89Å; L194-K196 VanDerWaalsContact C-N 3.29Å; L194-K196 PolarHBondContact O-N 2.96Å; L194-E197 PolarHBondContact O-N 3.4Å; L194-R198 PolarHBondContact O-N 3.45Å; L194-R198 VanDerWaalsContact O-N 3.15Å
195E87.9Confident85.4Confident95 Ų95101 Ų10144%0.44451%0.508SS..Hα-helixtrans-61.3-38.6174.8-71.9-177.2139.800112.2V191 R198 E199V191-E195 WeakPolarHBondContact O-CG 3.28Å; V191-E195 PolarHBondContact O-N 2.88Å; E195-R198 PolarHBondContact O-NE 2.84Å; E195-E199 PolarHBondContact O-N 3.18Å
196K90.7Very high83.3Confident124 Ų124104.6 Ų104.654%0.53952%0.519SS..Hα-helixtrans-68.6-44.4176.1-167.3-174.1-179.1-110.60112.5R193 L194 R198 E199 E200R193-K196 WeakPolarHBondContact O-CB 3.49Å; R193-K196 PolarHBondContact O-N 2.97Å; L194-K196 VanDerWaalsContact C-N 3.29Å; L194-K196 PolarHBondContact O-N 2.96Å; K196-R198 VanDerWaalsContact C-N 3.29Å; K196-R198 PolarHBondContact O-N 3.45Å; K196-E199 PolarHBondContact O-N 3.32Å; K196-E199 VanDerWaalsContact O-N 3.09Å; K196-E200 VanDerWaalsContact CE-OE1 3.3Å; K196-E200 WeakPolarHBondContact CE-OE1 3.25Å; K196-E200 IonicContact NZ-OE1 3.08Å; K196-E200 PolarHBondContact NZ-OE1 2.8Å; K196-E200 PolarHBondContact O-N 3.05Å; K196-E200 VanDerWaalsContact O-N 3.11Å
197E88.6Confident80.9Confident82 Ų82105.7 Ų105.738%0.38353%0.525SS..Hα-helixtrans-62.7-36179.7-70.4-174.5150.200112.4R193 L194 E199 E200 L201R193-E197 IonicContact CZ-OE1 3.59Å; R193-E197 IonicContact CZ-OE2 2.75Å; R193-E197 IonicContact NH1-OE1 2.69Å; R193-E197 PolarHBondContact NH1-OE1 3.47Å; R193-E197 IonicContact NH1-OE2 3.95Å; R193-E197 PolarHBondContact NH1-OE2 3.17Å; R193-E197 IonicContact NH2-OE2 2.73Å; R193-E197 PolarHBondContact O-N 2.81Å; L194-E197 PolarHBondContact O-N 3.4Å; E197-E199 VanDerWaalsContact C-N 3.33Å; E197-E199 PolarHBondContact O-N 3.36Å; E197-E200 PolarHBondContact O-N 2.99Å; E197-L201 WeakPolarHBondContact O-CG 3.42Å; E197-L201 PolarHBondContact O-N 3.47Å; E197-L201 VanDerWaalsContact O-N 3.09Å
198R86.4Confident79Confident133 Ų133104.1 Ų104.150%0.50253%0.53SS..Hα-helixtrans-56.8-45171.3171.9-158.566.9-162.8-2.3111.9L194 E195 K196 L201 V202L194-R198 PolarHBondContact O-N 3.45Å; L194-R198 VanDerWaalsContact O-N 3.15Å; E195-R198 PolarHBondContact O-NE 2.84Å; K196-R198 VanDerWaalsContact C-N 3.29Å; K196-R198 PolarHBondContact O-N 3.45Å; R198-L201 PolarHBondContact O-N 2.92Å; R198-V202 WeakPolarHBondContact O-CG2 3.42Å; R198-V202 PolarHBondContact O-N 2.89Å
199E84.5Confident76.3Confident113 Ų113108.9 Ų108.953%0.52855%0.552SS.*Hα-helixtrans-68.8-40.6-177.7-71.5165.3-163.600111.7E195 K196 E197 L201 V202 A203E195-E199 PolarHBondContact O-N 3.18Å; K196-E199 PolarHBondContact O-N 3.32Å; K196-E199 VanDerWaalsContact O-N 3.09Å; E197-E199 VanDerWaalsContact C-N 3.33Å; E197-E199 PolarHBondContact O-N 3.36Å; E199-L201 VanDerWaalsContact C-N 3.33Å; E199-L201 PolarHBondContact O-N 3.3Å; E199-V202 PolarHBondContact O-N 2.83Å; E199-A203 PolarHBondContact O-N 3.33Å
200E83.4Confident74.1Confident88 Ų88110.6 Ų110.641%0.41157%0.566SS.*Hα-helixtrans-63.1-37.2175.8-67.9178.6-172.700112.3K196 E197 Q204K196-E200 VanDerWaalsContact CE-OE1 3.3Å; K196-E200 WeakPolarHBondContact CE-OE1 3.25Å; K196-E200 IonicContact NZ-OE1 3.08Å; K196-E200 PolarHBondContact NZ-OE1 2.8Å; K196-E200 PolarHBondContact O-N 3.05Å; K196-E200 VanDerWaalsContact O-N 3.11Å; E197-E200 PolarHBondContact O-N 2.99Å; E200-Q204 WeakPolarHBondContact O-CG 3.44Å; E200-Q204 PolarHBondContact O-NE2 2.84Å
201L77.5Confident72.3Confident98 Ų98112.7 Ų112.751%0.51358%0.58SS.*Hα-helixtrans-69.8-34.7177-74.6170000113.4E197 R198 E199 A203 Q204E197-L201 WeakPolarHBondContact O-CG 3.42Å; E197-L201 PolarHBondContact O-N 3.47Å; E197-L201 VanDerWaalsContact O-N 3.09Å; R198-L201 PolarHBondContact O-N 2.92Å; E199-L201 VanDerWaalsContact C-N 3.33Å; E199-L201 PolarHBondContact O-N 3.3Å; L201-A203 VanDerWaalsContact C-N 3.3Å; L201-A203 PolarHBondContact O-N 2.84Å; L201-Q204 PolarHBondContact O-N 3.14Å
202V71.9Confident70.6Confident91 Ų91112.3 Ų112.355%0.55258%0.58SS**Hα-helixtrans-65.7-33.7178.2169.10000111.8R198 E199R198-V202 WeakPolarHBondContact O-CG2 3.42Å; R198-V202 PolarHBondContact O-N 2.89Å; E199-V202 PolarHBondContact O-N 2.83Å
203A67.4Low68.7Low59 Ų59114.7 Ų114.749%0.48858%0.584SS.*Hα-helixtrans-67-43.1175.700000112.3E199 L201 Y205 Q206E199-A203 PolarHBondContact O-N 3.33Å; L201-A203 VanDerWaalsContact C-N 3.3Å; L201-A203 PolarHBondContact O-N 2.84Å; A203-Y205 VanDerWaalsContact C-N 3.27Å; A203-Y205 PolarHBondContact O-N 3.15Å; A203-Q206 PolarHBondContact O-N 3.08Å
204Q70.8Confident66.7Low122 Ų122112.8 Ų112.857%0.5760%0.597SS**Hα-helixtrans-66.2-25-173.2-68.7172.831.300114.1E200 L201 Q206E200-Q204 WeakPolarHBondContact O-CG 3.44Å; E200-Q204 PolarHBondContact O-NE2 2.84Å; L201-Q204 PolarHBondContact O-N 3.14Å; Q204-Q206 VanDerWaalsContact C-N 3.26Å; Q204-Q206 PolarHBondContact O-N 3.47Å
205Y51.9Low65.3Low206 Ų206114.5 Ų114.581%0.80860%0.601SS**THydrogen-bonded Turntrans-72.3-11.8-179.5-98.3-82.9000114.7A203A203-Y205 VanDerWaalsContact C-N 3.27Å; A203-Y205 PolarHBondContact O-N 3.15Å
206Q52.2Low64Low154 Ų154116 Ų11672%0.7260%0.603SS**THydrogen-bonded Turntrans-91.2-19.9-171.6-59.5-175.511.800114.3A203 Q204A203-Q206 PolarHBondContact O-N 3.08Å; Q204-Q206 VanDerWaalsContact C-N 3.26Å; Q204-Q206 PolarHBondContact O-N 3.47Å
207D46.1Very low62.6Low147 Ų147114.7 Ų114.779%0.78661%0.605SS**SBendtrans-100.60.3-162.4-71.3-29.8000116.4
208S50.8Low61.6Low102 Ų102116.2 Ų116.271%0.71361%0.611SS**  trans-105.81.3-151.4-68.10000119.3
209E39.1Very low60.8Low200 Ų200111.3 Ų111.394%0.93560%0.599SS**SBendtrans-95.9-12.5-157-137.1178.9-164.800119.3
210A47Very low60.4Low97 Ų97110.4 Ų110.480%0.80260%0.598SS**SBendtrans-113.4-18-153.500000121.3
211L55.4Low60.1Low125 Ų125111.4 Ų111.465%0.65461%0.606SS**  trans-129.33.6-148.3-105.3170.2000119.6
212C53.2Low60.4Low74 Ų74113.4 Ų113.450%0.561%0.606SS.*  trans-101.3-21.7-146.3-68.90000118.9G214 K215 R216C212-G214 PolarHBondContact O-N 2.81Å; C212-K215 CarbonylContact O-C 3.56Å; C212-K215 VanDerWaalsContact O-C 3.24Å; C212-K215 VanDerWaalsContact O-CA 3.3Å; C212-K215 WeakPolarHBondContact O-CA 3.46Å; C212-K215 WeakPolarHBondContact O-CB 3.38Å; C212-K215 PolarHBondContact O-N 2.92Å; C212-R216 WeakPolarHBondContact O-CB 3.47Å; C212-R216 PolarHBondContact O-N 3.07Å
213D52.5Low61Low107 Ų107112.7 Ų112.757%0.57260%0.597SS**Hα-helixtrans-59.7-30.5-161.9-99.348000117.8R216D213-R216 VanDerWaalsContact CG-CZ 3.44Å; D213-R216 WeakPolarHBondContact O-CB 3.29Å; D213-R216 IonicContact OD1-CZ 2.7Å; D213-R216 IonicContact OD1-NH1 2.67Å; D213-R216 PolarHBondContact OD1-NH1 3.02Å; D213-R216 IonicContact OD1-NH2 3.06Å; D213-R216 IonicContact OD2-CZ 2.72Å; D213-R216 IonicContact OD2-NH1 2.64Å; D213-R216 PolarHBondContact OD2-NH1 3.2Å; D213-R216 IonicContact OD2-NH2 3.4Å; D213-R216 PolarHBondContact OD2-NH2 2.83Å
214G54.8Low61.6Low64 Ų64115.2 Ų115.266%0.6660%0.597SS**Hα-helixtrans-81.1-41.2169.300000113.1C212 R216 V217C212-G214 PolarHBondContact O-N 2.81Å; G214-R216 PolarHBondContact O-N 3.5Å; G214-R216 VanDerWaalsContact O-N 3.12Å; G214-V217 PolarHBondContact O-N 3.03Å
215K58.7Low62.3Low124 Ų124112.1 Ų112.154%0.53959%0.592SS.*Hα-helixtrans-58.7-19.1166.9-62.9176.7178.1175.80111.5C212 E218 A219C212-K215 CarbonylContact O-C 3.56Å; C212-K215 VanDerWaalsContact O-C 3.24Å; C212-K215 VanDerWaalsContact O-CA 3.3Å; C212-K215 WeakPolarHBondContact O-CA 3.46Å; C212-K215 WeakPolarHBondContact O-CB 3.38Å; C212-K215 PolarHBondContact O-N 2.92Å; K215-E218 CarbonylContact O-C 3.58Å; K215-E218 PolarHBondContact O-N 2.92Å; K215-A219 WeakPolarHBondContact O-CA 3.47Å; K215-A219 WeakPolarHBondContact O-CB 3.43Å; K215-A219 PolarHBondContact O-N 3.35Å
216R62.1Low64.1Low127 Ų127107.9 Ų107.948%0.47958%0.58SS.*Hα-helixtrans-72.4-35.2-177-170.816976-153.3-5.4111.6C212 D213 G214 L220C212-R216 WeakPolarHBondContact O-CB 3.47Å; C212-R216 PolarHBondContact O-N 3.07Å; D213-R216 VanDerWaalsContact CG-CZ 3.44Å; D213-R216 WeakPolarHBondContact O-CB 3.29Å; D213-R216 IonicContact OD1-CZ 2.7Å; D213-R216 IonicContact OD1-NH1 2.67Å; D213-R216 PolarHBondContact OD1-NH1 3.02Å; D213-R216 IonicContact OD1-NH2 3.06Å; D213-R216 IonicContact OD2-CZ 2.72Å; D213-R216 IonicContact OD2-NH1 2.64Å; D213-R216 PolarHBondContact OD2-NH1 3.2Å; D213-R216 IonicContact OD2-NH2 3.4Å; D213-R216 PolarHBondContact OD2-NH2 2.83Å; G214-R216 PolarHBondContact O-N 3.5Å; G214-R216 VanDerWaalsContact O-N 3.12Å; R216-L220 HydrophobicContact CG-CD1 4.07Å; R216-L220 HydrophobicContact CG-CG 4.4Å; R216-L220 WeakPolarHBondContact O-CB 3.26Å; R216-L220 VanDerWaalsContact O-CD1 3.3Å; R216-L220 WeakPolarHBondContact O-CD1 3.48Å; R216-L220 WeakPolarHBondContact O-CG 3.47Å; R216-L220 PolarHBondContact O-N 3.04Å
217V59.8Low65.8Low96 Ų96105.9 Ų105.958%0.58257%0.573SS**Hα-helixtrans-73.6-40174.7-178.80000110.5G214 L220 L221G214-V217 PolarHBondContact O-N 3.03Å; V217-L220 PolarHBondContact O-N 3.48Å; V217-L221 PolarHBondContact O-N 3.18Å
218E67.1Low67.8Low113 Ų113106.7 Ų106.753%0.52857%0.566SS.*Hα-helixtrans-72.1-28.7175.8-107.5-162.7-120.900113.5K215 R222K215-E218 CarbonylContact O-C 3.58Å; K215-E218 PolarHBondContact O-N 2.92Å; E218-R222 WeakPolarHBondContact O-CG 3.4Å; E218-R222 PolarHBondContact O-N 3.08Å; E218-R222 PolarHBondContact O-NH1 3.49Å; E218-R222 IonicContact OE2-CZ 3.24Å; E218-R222 VanDerWaalsContact OE2-CZ 3.24Å; E218-R222 IonicContact OE2-NH1 2.72Å; E218-R222 PolarHBondContact OE2-NH1 2.93Å; E218-R222 IonicContact OE2-NH2 2.8Å; E218-R222 PolarHBondContact OE2-NH2 2.94Å
219A71.3Confident69.7Low30 Ų30108.9 Ų108.925%0.24857%0.565CS.*Hα-helixtrans-72.5-54.1168.200000108.6K215 L221 R222 E223K215-A219 WeakPolarHBondContact O-CA 3.47Å; K215-A219 WeakPolarHBondContact O-CB 3.43Å; K215-A219 PolarHBondContact O-N 3.35Å; A219-L221 CarbonylContact O-C 3.58Å; A219-L221 PolarHBondContact O-N 2.87Å; A219-R222 CarbonylContact O-C 3.55Å; A219-R222 WeakPolarHBondContact O-CA 3.49Å; A219-R222 PolarHBondContact O-N 3.03Å; A219-E223 WeakPolarHBondContact CB-OE1 3.48Å; A219-E223 WeakPolarHBondContact O-CA 3.42Å; A219-E223 WeakPolarHBondContact O-CB 3.28Å; A219-E223 VanDerWaalsContact O-CG 3.24Å; A219-E223 WeakPolarHBondContact O-CG 3.3Å; A219-E223 PolarHBondContact O-N 3.41Å
220L76.4Confident72.3Confident94 Ų94108.1 Ų108.149%0.49255%0.553SS.*Hα-helixtrans-50.2-31.2175.6-78164.5000113.7R216 V217 K224R216-L220 HydrophobicContact CG-CD1 4.07Å; R216-L220 HydrophobicContact CG-CG 4.4Å; R216-L220 WeakPolarHBondContact O-CB 3.26Å; R216-L220 VanDerWaalsContact O-CD1 3.3Å; R216-L220 WeakPolarHBondContact O-CD1 3.48Å; R216-L220 WeakPolarHBondContact O-CG 3.47Å; R216-L220 PolarHBondContact O-N 3.04Å; V217-L220 PolarHBondContact O-N 3.48Å; L220-K224 WeakPolarHBondContact O-CB 3.48Å; L220-K224 PolarHBondContact O-N 3.42Å
221L77.1Confident74.3Confident110 Ų110108.1 Ų108.158%0.57654%0.539SS*.Hα-helixtrans-78.8-40.4171.8-72.7176.2000114.1V217 A219 K224 A225V217-L221 PolarHBondContact O-N 3.18Å; A219-L221 CarbonylContact O-C 3.58Å; A219-L221 PolarHBondContact O-N 2.87Å; L221-K224 PolarHBondContact O-N 3.3Å; L221-A225 PolarHBondContact O-N 2.93Å; L221-A225 VanDerWaalsContact O-N 3.13Å
222R82.9Confident76.1Confident139 Ų139109.2 Ų109.253%0.52554%0.539SS..Hα-helixtrans-67.5-46.5172.4-72.4-179.3-173.485.6-8.6111.2E218 A219 K224 A225 Q226E218-R222 WeakPolarHBondContact O-CG 3.4Å; E218-R222 PolarHBondContact O-N 3.08Å; E218-R222 PolarHBondContact O-NH1 3.49Å; E218-R222 IonicContact OE2-CZ 3.24Å; E218-R222 VanDerWaalsContact OE2-CZ 3.24Å; E218-R222 IonicContact OE2-NH1 2.72Å; E218-R222 PolarHBondContact OE2-NH1 2.93Å; E218-R222 IonicContact OE2-NH2 2.8Å; E218-R222 PolarHBondContact OE2-NH2 2.94Å; A219-R222 CarbonylContact O-C 3.55Å; A219-R222 WeakPolarHBondContact O-CA 3.49Å; A219-R222 PolarHBondContact O-N 3.03Å; R222-K224 PolarHBondContact O-N 3.42Å; R222-A225 CarbonylContact O-C 3.57Å; R222-A225 WeakPolarHBondContact O-CA 3.23Å; R222-A225 WeakPolarHBondContact O-CB 3.36Å; R222-A225 PolarHBondContact O-N 3.33Å; R222-Q226 WeakPolarHBondContact O-CB 3.45Å; R222-Q226 VanDerWaalsContact O-CG 3.28Å; R222-Q226 WeakPolarHBondContact O-CG 3.16Å; R222-Q226 PolarHBondContact O-N 3.45Å
223E84.8Confident78Confident77 Ų77107 Ų10736%0.3653%0.529SS..Hα-helixtrans-50.8-48.1165.4-70.2167-157.100110.9A219 A225 Q226 L227A219-E223 WeakPolarHBondContact CB-OE1 3.48Å; A219-E223 WeakPolarHBondContact O-CA 3.42Å; A219-E223 WeakPolarHBondContact O-CB 3.28Å; A219-E223 VanDerWaalsContact O-CG 3.24Å; A219-E223 WeakPolarHBondContact O-CG 3.3Å; A219-E223 PolarHBondContact O-N 3.41Å; E223-A225 PolarHBondContact O-N 2.89Å; E223-Q226 CarbonylContact O-C 3.57Å; E223-Q226 PolarHBondContact O-N 2.94Å; E223-L227 WeakPolarHBondContact O-CA 3.39Å; E223-L227 WeakPolarHBondContact O-CB 3.31Å; E223-L227 WeakPolarHBondContact O-CG 3.42Å; E223-L227 PolarHBondContact O-N 2.89Å
224K79Confident79.8Confident111 Ų111106 Ų10648%0.48352%0.523SS..Hα-helixtrans-60-33.9175.8179.6178.2-179.11780112.9L220 L221 R222 R228L220-K224 WeakPolarHBondContact O-CB 3.48Å; L220-K224 PolarHBondContact O-N 3.42Å; L221-K224 PolarHBondContact O-N 3.3Å; R222-K224 PolarHBondContact O-N 3.42Å; K224-R228 WeakPolarHBondContact O-CD 3.47Å; K224-R228 VanDerWaalsContact O-CG 3.28Å; K224-R228 WeakPolarHBondContact O-CG 3.41Å; K224-R228 PolarHBondContact O-N 3.32Å
225A86.4Confident81.7Confident58 Ų58108.4 Ų108.448%0.47952%0.517SS..Hα-helixtrans-75.2-44.4173.900000112.1L221 R222 E223 R228 Q229L221-A225 PolarHBondContact O-N 2.93Å; L221-A225 VanDerWaalsContact O-N 3.13Å; R222-A225 CarbonylContact O-C 3.57Å; R222-A225 WeakPolarHBondContact O-CA 3.23Å; R222-A225 WeakPolarHBondContact O-CB 3.36Å; R222-A225 PolarHBondContact O-N 3.33Å; E223-A225 PolarHBondContact O-N 2.89Å; A225-R228 WeakPolarHBondContact O-CB 3.37Å; A225-R228 PolarHBondContact O-N 3.48Å; A225-Q229 PolarHBondContact O-N 2.91Å
226Q89.1Confident83.3Confident117 Ų117104.9 Ų104.955%0.54751%0.51SS..Hα-helixtrans-63-39.8175.6-71.4166.1-15.100111.7R222 E223 Q229 R230R222-Q226 WeakPolarHBondContact O-CB 3.45Å; R222-Q226 VanDerWaalsContact O-CG 3.28Å; R222-Q226 WeakPolarHBondContact O-CG 3.16Å; R222-Q226 PolarHBondContact O-N 3.45Å; E223-Q226 CarbonylContact O-C 3.57Å; E223-Q226 PolarHBondContact O-N 2.94Å; Q226-Q229 CarbonylContact O-C 3.58Å; Q226-Q229 PolarHBondContact O-N 3.29Å; Q226-R230 WeakPolarHBondContact O-CB 3.06Å; Q226-R230 PolarHBondContact O-N 2.87Å
227L89.3Confident84.8Confident111 Ų111103.8 Ų103.858%0.58151%0.511SS*.Hα-helixtrans-65.7-38.4173.3-74.1169.6000110.8E223 R230 L231E223-L227 WeakPolarHBondContact O-CA 3.39Å; E223-L227 WeakPolarHBondContact O-CB 3.31Å; E223-L227 WeakPolarHBondContact O-CG 3.42Å; E223-L227 PolarHBondContact O-N 2.89Å; L227-R230 PolarHBondContact O-N 3.34Å; L227-L231 WeakPolarHBondContact O-CB 3.48Å; L227-L231 PolarHBondContact O-N 3.38Å
228R87.4Confident86.4Confident165 Ų165101.9 Ų101.962%0.62350%0.499SS*.Hα-helixtrans-65.6-39.4171.6-79.5169.6168.8-177.8-6.9112.3K224 A225 K232K224-R228 WeakPolarHBondContact O-CD 3.47Å; K224-R228 VanDerWaalsContact O-CG 3.28Å; K224-R228 WeakPolarHBondContact O-CG 3.41Å; K224-R228 PolarHBondContact O-N 3.32Å; A225-R228 WeakPolarHBondContact O-CB 3.37Å; A225-R228 PolarHBondContact O-N 3.48Å; R228-K232 WeakPolarHBondContact O-CG 3.44Å; R228-K232 PolarHBondContact O-N 2.86Å; R228-K232 VanDerWaalsContact O-N 3.08Å
229Q90.6Very high87.7Confident148 Ų14899 Ų9969%0.69250%0.495SS*.Hα-helixtrans-69-40.7175.1-175.2173.8-1.400111.6A225 Q226 K232 G233A225-Q229 PolarHBondContact O-N 2.91Å; Q226-Q229 CarbonylContact O-C 3.58Å; Q226-Q229 PolarHBondContact O-N 3.29Å; Q229-K232 WeakPolarHBondContact O-CB 3.42Å; Q229-K232 PolarHBondContact O-N 2.79Å; Q229-G233 PolarHBondContact O-N 3.32Å
230R92.8Very high88.8Confident184 Ų184103.3 Ų103.369%0.69451%0.51SS*.Hα-helixtrans-68.3-34.2175.7-167.6167.5-171.5157.82.5111.7Q226 L227 G233 L234Q226-R230 WeakPolarHBondContact O-CB 3.06Å; Q226-R230 PolarHBondContact O-N 2.87Å; L227-R230 PolarHBondContact O-N 3.34Å; R230-G233 PolarHBondContact O-N 2.91Å; R230-L234 HydrophobicContact CG-CD1 4.38Å; R230-L234 WeakPolarHBondContact O-CB 3.32Å; R230-L234 WeakPolarHBondContact O-CG 3.4Å; R230-L234 PolarHBondContact O-N 3.44Å
231L90.2Very high89.6Confident97 Ų97103.8 Ų103.851%0.50851%0.512SS..Hα-helixtrans-68.2-38.4173.5-164.8151.6000110.8L227 L234 E235L227-L231 WeakPolarHBondContact O-CB 3.48Å; L227-L231 PolarHBondContact O-N 3.38Å; L231-L234 PolarHBondContact O-N 3.16Å; L231-E235 HydrophobicContact CD2-CG 4.17Å; L231-E235 VanDerWaalsContact CD2-OE1 3.32Å; L231-E235 WeakPolarHBondContact CD2-OE1 3.33Å; L231-E235 WeakPolarHBondContact O-CB 3.29Å; L231-E235 VanDerWaalsContact O-CG 3.26Å; L231-E235 WeakPolarHBondContact O-CG 3.47Å; L231-E235 PolarHBondContact O-N 3.24Å
232K92.6Very high90.4Very high148 Ų148105.5 Ų105.564%0.64351%0.511SS*.Hα-helixtrans-64.5-37.3168-73.5-177.9174.7-169.60113.4R228 Q229 E235 A236R228-K232 WeakPolarHBondContact O-CG 3.44Å; R228-K232 PolarHBondContact O-N 2.86Å; R228-K232 VanDerWaalsContact O-N 3.08Å; Q229-K232 WeakPolarHBondContact O-CB 3.42Å; Q229-K232 PolarHBondContact O-N 2.79Å; K232-E235 PolarHBondContact O-N 3.31Å; K232-A236 PolarHBondContact O-N 2.92Å
233G92.9Very high91Very high28 Ų28101.4 Ų101.429%0.28951%0.507SS..Hα-helixtrans-60.8-51172.100000111.2Q229 R230 E235 A236 E237Q229-G233 PolarHBondContact O-N 3.32Å; R230-G233 PolarHBondContact O-N 2.91Å; G233-E235 VanDerWaalsContact C-N 3.31Å; G233-E235 PolarHBondContact O-N 3.03Å; G233-A236 CarbonylContact O-C 3.58Å; G233-A236 WeakPolarHBondContact O-CA 3.41Å; G233-A236 WeakPolarHBondContact O-CB 3.37Å; G233-A236 PolarHBondContact O-N 3.19Å; G233-E237 WeakPolarHBondContact O-CG 3.46Å; G233-E237 PolarHBondContact O-N 3.35Å
234L91.4Very high91.4Very high86 Ų86103 Ų10345%0.4552%0.515SS..Hα-helixtrans-61.4-34.3174.7-69.4165.4000112.6R230 L231 V238R230-L234 HydrophobicContact CG-CD1 4.38Å; R230-L234 WeakPolarHBondContact O-CB 3.32Å; R230-L234 WeakPolarHBondContact O-CG 3.4Å; R230-L234 PolarHBondContact O-N 3.44Å; L231-L234 PolarHBondContact O-N 3.16Å; L234-V238 WeakPolarHBondContact O-CB 3.5Å; L234-V238 WeakPolarHBondContact O-CG2 3.4Å; L234-V238 PolarHBondContact O-N 2.85Å
235E93.1Very high92.2Very high114 Ų114105 Ų10553%0.53352%0.519SS..Hα-helixtrans-65.2-39.6172.3-78.2169.6164.700111.8L231 K232 G233 A239L231-E235 HydrophobicContact CD2-CG 4.17Å; L231-E235 VanDerWaalsContact CD2-OE1 3.32Å; L231-E235 WeakPolarHBondContact CD2-OE1 3.33Å; L231-E235 WeakPolarHBondContact O-CB 3.29Å; L231-E235 VanDerWaalsContact O-CG 3.26Å; L231-E235 WeakPolarHBondContact O-CG 3.47Å; L231-E235 PolarHBondContact O-N 3.24Å; K232-E235 PolarHBondContact O-N 3.31Å; G233-E235 VanDerWaalsContact C-N 3.31Å; G233-E235 PolarHBondContact O-N 3.03Å; E235-A239 PolarHBondContact O-N 3.48Å
236A92.9Very high92.6Very high49 Ų49105.6 Ų105.641%0.40551%0.514SS..Hα-helixtrans-69.5-46.6174.200000111.7K232 G233 V238 A239 E240K232-A236 PolarHBondContact O-N 2.92Å; G233-A236 CarbonylContact O-C 3.58Å; G233-A236 WeakPolarHBondContact O-CA 3.41Å; G233-A236 WeakPolarHBondContact O-CB 3.37Å; G233-A236 PolarHBondContact O-N 3.19Å; A236-V238 VanDerWaalsContact C-N 3.28Å; A236-V238 PolarHBondContact O-N 2.99Å; A236-A239 CarbonylContact O-C 3.56Å; A236-A239 WeakPolarHBondContact O-CA 3.45Å; A236-A239 WeakPolarHBondContact O-CB 3.35Å; A236-A239 PolarHBondContact O-N 3.25Å; A236-E240 WeakPolarHBondContact O-CG 3.43Å; A236-E240 PolarHBondContact O-N 2.88Å
237E94.1Very high92.9Very high104 Ų104103.4 Ų103.449%0.48651%0.509SS..Hα-helixtrans-56.3-42.2172.4-70.6167.4-143.400111G233 A239 E240 L241G233-E237 WeakPolarHBondContact O-CG 3.46Å; G233-E237 PolarHBondContact O-N 3.35Å; E237-A239 VanDerWaalsContact C-N 3.33Å; E237-A239 PolarHBondContact O-N 3.25Å; E237-E240 PolarHBondContact O-N 2.89Å; E237-L241 VanDerWaalsContact O-CB 3.27Å; E237-L241 WeakPolarHBondContact O-CB 3.44Å; E237-L241 WeakPolarHBondContact O-CG 3.3Å; E237-L241 PolarHBondContact O-N 3.33Å
238V93.4Very high93.1Very high57 Ų57101 Ų10135%0.34550%0.502SS..Hα-helixtrans-67-32.6175.1164.50000112.1L234 A236 R242L234-V238 WeakPolarHBondContact O-CB 3.5Å; L234-V238 WeakPolarHBondContact O-CG2 3.4Å; L234-V238 PolarHBondContact O-N 2.85Å; A236-V238 VanDerWaalsContact C-N 3.28Å; A236-V238 PolarHBondContact O-N 2.99Å; V238-R242 WeakPolarHBondContact O-CB 3.37Å; V238-R242 WeakPolarHBondContact O-CD 3.39Å; V238-R242 WeakPolarHBondContact O-CG 3.27Å; V238-R242 PolarHBondContact O-N 3.29Å; V238-R242 VanDerWaalsContact O-N 3.08Å
239A94.5Very high93.5Very high53 Ų5394.6 Ų94.644%0.43849%0.486SS..Hα-helixtrans-70.9-42.2173.100000111.8E235 A236 E237 R242 A243E235-A239 PolarHBondContact O-N 3.48Å; A236-A239 CarbonylContact O-C 3.56Å; A236-A239 WeakPolarHBondContact O-CA 3.45Å; A236-A239 WeakPolarHBondContact O-CB 3.35Å; A236-A239 PolarHBondContact O-N 3.25Å; E237-A239 VanDerWaalsContact C-N 3.33Å; E237-A239 PolarHBondContact O-N 3.25Å; A239-R242 PolarHBondContact O-N 2.84Å; A239-A243 PolarHBondContact O-N 3.34Å
240E93.9Very high93.7Very high120 Ų12093.6 Ų93.656%0.56148%0.482SS*.Hα-helixtrans-65-45.4175-72.2178.7-170.900111.7A236 E237 R242 A243 Q244A236-E240 WeakPolarHBondContact O-CG 3.43Å; A236-E240 PolarHBondContact O-N 2.88Å; E237-E240 PolarHBondContact O-N 2.89Å; E240-R242 VanDerWaalsContact C-N 3.28Å; E240-R242 PolarHBondContact O-N 3.47Å; E240-A243 CarbonylContact O-C 3.56Å; E240-A243 PolarHBondContact O-N 3.41Å; E240-A243 VanDerWaalsContact O-N 3.13Å; E240-Q244 WeakPolarHBondContact O-CB 3.36Å; E240-Q244 VanDerWaalsContact O-CG 3.31Å; E240-Q244 WeakPolarHBondContact O-CG 3.45Å; E240-Q244 PolarHBondContact O-N 3.46Å
241L93.1Very high93.8Very high103 Ų10391 Ų9154%0.53948%0.477SS..Hα-helixtrans-62-34174.5-73.1169.9000112.2E237 R245E237-L241 VanDerWaalsContact O-CB 3.27Å; E237-L241 WeakPolarHBondContact O-CB 3.44Å; E237-L241 WeakPolarHBondContact O-CG 3.3Å; E237-L241 PolarHBondContact O-N 3.33Å; L241-R245 VanDerWaalsContact O-CB 3.24Å; L241-R245 WeakPolarHBondContact O-CB 3.39Å; L241-R245 PolarHBondContact O-N 3.48Å
242R94.8Very high93.9Very high146 Ų14689.2 Ų89.255%0.55148%0.477SS*.Hα-helixtrans-67.5-45171.2-76.6166.6-175.81592.9111.4V238 A239 E240 R245 D246V238-R242 WeakPolarHBondContact O-CB 3.37Å; V238-R242 WeakPolarHBondContact O-CD 3.39Å; V238-R242 WeakPolarHBondContact O-CG 3.27Å; V238-R242 PolarHBondContact O-N 3.29Å; V238-R242 VanDerWaalsContact O-N 3.08Å; A239-R242 PolarHBondContact O-N 2.84Å; E240-R242 VanDerWaalsContact C-N 3.28Å; E240-R242 PolarHBondContact O-N 3.47Å; R242-R245 PolarHBondContact O-N 2.86Å; R242-D246 WeakPolarHBondContact O-CB 3.42Å; R242-D246 PolarHBondContact O-N 3.46Å
243A94.6Very high94.1Very high53 Ų5387 Ų8744%0.43847%0.469SS..Hα-helixtrans-62.7-42.8175.800000112A239 E240 D246 T247A239-A243 PolarHBondContact O-N 3.34Å; E240-A243 CarbonylContact O-C 3.56Å; E240-A243 PolarHBondContact O-N 3.41Å; E240-A243 VanDerWaalsContact O-N 3.13Å; A243-D246 PolarHBondContact O-N 2.92Å; A243-T247 WeakPolarHBondContact O-CG2 3.24Å; A243-T247 PolarHBondContact O-N 3.27Å; A243-T247 PolarHBondContact O-OG1 3.11Å; A243-T247 VanDerWaalsContact O-OG1 3.1Å
244Q94Very high94.3Very high112 Ų11288.4 Ų88.452%0.52347%0.474SS..Hα-helixtrans-61.2-46.5174.1-72.4175.413.800111.3E240 D246 T247 S248E240-Q244 WeakPolarHBondContact O-CB 3.36Å; E240-Q244 VanDerWaalsContact O-CG 3.31Å; E240-Q244 WeakPolarHBondContact O-CG 3.45Å; E240-Q244 PolarHBondContact O-N 3.46Å; Q244-D246 VanDerWaalsContact C-N 3.33Å; Q244-D246 PolarHBondContact O-N 3.41Å; Q244-T247 WeakPolarHBondContact CA-OG1 3.38Å; Q244-T247 PolarHBondContact O-N 3.42Å; Q244-T247 PolarHBondContact O-OG1 2.92Å; Q244-S248 WeakPolarHBondContact O-CB 3.44Å; Q244-S248 PolarHBondContact O-N 3.44Å; Q244-S248 PolarHBondContact O-OG 2.93Å
245R95.4Very high94.5Very high151 Ų15187.9 Ų87.957%0.5747%0.474SS*.Hα-helixtrans-58-43.3173.1-177.9-155.867.8-176.1-2.8112L241 R242 S248 G249L241-R245 VanDerWaalsContact O-CB 3.24Å; L241-R245 WeakPolarHBondContact O-CB 3.39Å; L241-R245 PolarHBondContact O-N 3.48Å; R242-R245 PolarHBondContact O-N 2.86Å; R245-S248 PolarHBondContact O-N 3.25Å; R245-S248 PolarHBondContact O-OG 2.82Å; R245-G249 PolarHBondContact O-N 2.95Å
246D94.9Very high94.7Very high72 Ų7288 Ų8839%0.38548%0.475SS..Hα-helixtrans-72.2-37.4-176.6-66-10.3000110.9R242 A243 Q244 G249 Q250R242-D246 WeakPolarHBondContact O-CB 3.42Å; R242-D246 PolarHBondContact O-N 3.46Å; A243-D246 PolarHBondContact O-N 2.92Å; Q244-D246 VanDerWaalsContact C-N 3.33Å; Q244-D246 PolarHBondContact O-N 3.41Å; D246-G249 PolarHBondContact O-N 2.89Å; D246-Q250 WeakPolarHBondContact O-CG 3.41Å; D246-Q250 PolarHBondContact O-N 3.26Å
247T95.3Very high94.9Very high71 Ų7192 Ų9244%0.43648%0.479SS..Hα-helixtrans-67.2-39.517156.50000113A243 Q244 G249 Q250 Q251A243-T247 WeakPolarHBondContact O-CG2 3.24Å; A243-T247 PolarHBondContact O-N 3.27Å; A243-T247 PolarHBondContact O-OG1 3.11Å; A243-T247 VanDerWaalsContact O-OG1 3.1Å; Q244-T247 WeakPolarHBondContact CA-OG1 3.38Å; Q244-T247 PolarHBondContact O-N 3.42Å; Q244-T247 PolarHBondContact O-OG1 2.92Å; T247-G249 VanDerWaalsContact C-N 3.34Å; T247-Q250 PolarHBondContact O-N 3.25Å; T247-Q251 WeakPolarHBondContact O-CB 3.28Å; T247-Q251 VanDerWaalsContact O-CG 3.3Å; T247-Q251 WeakPolarHBondContact O-CG 3.26Å; T247-Q251 PolarHBondContact O-N 2.89Å
248S92.7Very high95Very high61 Ų6190.8 Ų90.843%0.42748%0.476SS..Hα-helixtrans-69.6-33175.6710000111.9Q244 R245 Q251 A252Q244-S248 WeakPolarHBondContact O-CB 3.44Å; Q244-S248 PolarHBondContact O-N 3.44Å; Q244-S248 PolarHBondContact O-OG 2.93Å; R245-S248 PolarHBondContact O-N 3.25Å; R245-S248 PolarHBondContact O-OG 2.82Å; S248-Q251 PolarHBondContact O-N 3.14Å; S248-A252 WeakPolarHBondContact O-CB 3.41Å; S248-A252 PolarHBondContact O-N 3Å
249G96.3Very high95.2Very high29 Ų2993 Ų9330%0.29948%0.482SS..Hα-helixtrans-61-49.7168.600000112.2R245 D246 T247 Q251 A252 E253R245-G249 PolarHBondContact O-N 2.95Å; D246-G249 PolarHBondContact O-N 2.89Å; T247-G249 VanDerWaalsContact C-N 3.34Å; G249-Q251 VanDerWaalsContact C-N 3.31Å; G249-Q251 PolarHBondContact O-N 2.92Å; G249-A252 PolarHBondContact O-N 3.09Å; G249-E253 WeakPolarHBondContact O-CG 3.44Å; G249-E253 PolarHBondContact O-N 2.81Å
250Q94.9Very high95.3Very high127 Ų12794.9 Ų94.959%0.59348%0.484SS*.Hα-helixtrans-60.9-38.1175.4-72172.81200112.6D246 T247 S254D246-Q250 WeakPolarHBondContact O-CG 3.41Å; D246-Q250 PolarHBondContact O-N 3.26Å; T247-Q250 PolarHBondContact O-N 3.25Å; Q250-S254 VanDerWaalsContact O-CB 3.3Å; Q250-S254 WeakPolarHBondContact O-CB 3.49Å; Q250-S254 PolarHBondContact O-N 2.85Å
251Q94.3Very high95.5Very high129 Ų12997 Ų9760%0.60349%0.487SS*.Hα-helixtrans-65.1-44.8173.5-73.8173.41.400111.7T247 S248 G249 S254 V255T247-Q251 WeakPolarHBondContact O-CB 3.28Å; T247-Q251 VanDerWaalsContact O-CG 3.3Å; T247-Q251 WeakPolarHBondContact O-CG 3.26Å; T247-Q251 PolarHBondContact O-N 2.89Å; S248-Q251 PolarHBondContact O-N 3.14Å; G249-Q251 VanDerWaalsContact C-N 3.31Å; G249-Q251 PolarHBondContact O-N 2.92Å; Q251-S254 WeakPolarHBondContact O-CB 3.32Å; Q251-S254 PolarHBondContact O-N 3.35Å; Q251-V255 WeakPolarHBondContact O-CG2 3.48Å; Q251-V255 PolarHBondContact O-N 3.3Å
252A93.5Very high95.7Very high60 Ų6097 Ų9750%0.49648%0.484SS..Hα-helixtrans-61.4-45.6176.200000111.8S248 G249 S254 V255 Q256S248-A252 WeakPolarHBondContact O-CB 3.41Å; S248-A252 PolarHBondContact O-N 3Å; G249-A252 PolarHBondContact O-N 3.09Å; A252-S254 VanDerWaalsContact C-N 3.3Å; A252-S254 PolarHBondContact O-N 3.31Å; A252-V255 PolarHBondContact O-N 2.99Å; A252-Q256 VanDerWaalsContact O-CB 3.3Å; A252-Q256 WeakPolarHBondContact O-CB 3.27Å; A252-Q256 PolarHBondContact O-N 3.16Å
253E96.4Very high95.8Very high102 Ų10295.5 Ų95.548%0.47749%0.486SS..Hα-helixtrans-64-32.7174.2-70.2179.9-172.900113.1G249 R257G249-E253 WeakPolarHBondContact O-CG 3.44Å; G249-E253 PolarHBondContact O-N 2.81Å; E253-R257 VanDerWaalsContact CB-NH2 3.35Å; E253-R257 WeakPolarHBondContact O-CB 3.44Å; E253-R257 VanDerWaalsContact O-CG 3.29Å; E253-R257 WeakPolarHBondContact O-CG 3.27Å; E253-R257 PolarHBondContact O-N 3.24Å; E253-R257 PolarHBondContact O-NE 2.75Å; E253-R257 IonicContact OE2-CZ 3.52Å; E253-R257 IonicContact OE2-NH2 3.05Å; E253-R257 PolarHBondContact OE2-NH2 3.49Å; E253-R257 VanDerWaalsContact OE2-NH2 3.11Å
254S96.3Very high95.9Very high57 Ų5796.7 Ų96.740%0.39949%0.488SS..Hα-helixtrans-65.8-51.8174.8-179.60000110.5Q250 Q251 A252 Q256 R257 I258Q250-S254 VanDerWaalsContact O-CB 3.3Å; Q250-S254 WeakPolarHBondContact O-CB 3.49Å; Q250-S254 PolarHBondContact O-N 2.85Å; Q251-S254 WeakPolarHBondContact O-CB 3.32Å; Q251-S254 PolarHBondContact O-N 3.35Å; A252-S254 VanDerWaalsContact C-N 3.3Å; A252-S254 PolarHBondContact O-N 3.31Å; S254-Q256 VanDerWaalsContact C-N 3.35Å; S254-Q256 PolarHBondContact O-N 2.99Å; S254-R257 PolarHBondContact O-N 3.3Å; S254-I258 WeakPolarHBondContact O-CG1 3.47Å; S254-I258 PolarHBondContact O-N 3.45Å
255V97.4Very high96Very high76 Ų7696.9 Ų96.946%0.46149%0.489SS..Hα-helixtrans-59.6-44.7176.5172.10000111Q251 A252 R257 I258 Q259Q251-V255 WeakPolarHBondContact O-CG2 3.48Å; Q251-V255 PolarHBondContact O-N 3.3Å; A252-V255 PolarHBondContact O-N 2.99Å; V255-R257 PolarHBondContact O-N 3.5Å; V255-I258 PolarHBondContact O-N 3.42Å; V255-Q259 HydrophobicContact CG1-CG 4.36Å; V255-Q259 WeakPolarHBondContact O-CG 3.5Å; V255-Q259 PolarHBondContact O-N 3.44Å
256Q96.8Very high96.1Very high115 Ų11595 Ų9554%0.53749%0.49SS..Hα-helixtrans-62.1-41177.5-169.4-179.712.500112A252 S254 Q259 I260A252-Q256 VanDerWaalsContact O-CB 3.3Å; A252-Q256 WeakPolarHBondContact O-CB 3.27Å; A252-Q256 PolarHBondContact O-N 3.16Å; S254-Q256 VanDerWaalsContact C-N 3.35Å; S254-Q256 PolarHBondContact O-N 2.99Å; Q256-Q259 PolarHBondContact O-N 3.33Å; Q256-I260 HydrophobicContact CG-CD1 4.02Å; Q256-I260 WeakPolarHBondContact O-CB 3.42Å; Q256-I260 VanDerWaalsContact O-CG1 3.26Å; Q256-I260 WeakPolarHBondContact O-CG1 3.5Å; Q256-I260 PolarHBondContact O-N 2.92Å
257R97.4Very high96.2Very high134 Ų13496.9 Ų96.951%0.50650%0.496SS..Hα-helixtrans-63.6-38.6174.3-81.3177.7-79.8-152.5-10.1112.5E253 S254 V255 R261E253-R257 VanDerWaalsContact CB-NH2 3.35Å; E253-R257 WeakPolarHBondContact O-CB 3.44Å; E253-R257 VanDerWaalsContact O-CG 3.29Å; E253-R257 WeakPolarHBondContact O-CG 3.27Å; E253-R257 PolarHBondContact O-N 3.24Å; E253-R257 PolarHBondContact O-NE 2.75Å; E253-R257 IonicContact OE2-CZ 3.52Å; E253-R257 IonicContact OE2-NH2 3.05Å; E253-R257 PolarHBondContact OE2-NH2 3.49Å; E253-R257 VanDerWaalsContact OE2-NH2 3.11Å; S254-R257 PolarHBondContact O-N 3.3Å; V255-R257 PolarHBondContact O-N 3.5Å; R257-R261 WeakPolarHBondContact O-CG 3.32Å; R257-R261 PolarHBondContact O-N 2.94Å; R257-R261 VanDerWaalsContact O-N 3.15Å
258I96.5Very high96.3Very high79 Ų7996.9 Ų96.941%0.40550%0.499SS..Hα-helixtrans-66.2-46.6175.2-67.3165000110.4S254 V255 I260 R261 Q262S254-I258 WeakPolarHBondContact O-CG1 3.47Å; S254-I258 PolarHBondContact O-N 3.45Å; V255-I258 PolarHBondContact O-N 3.42Å; I258-I260 PolarHBondContact O-N 3.43Å; I258-R261 WeakPolarHBondContact O-CB 3.36Å; I258-R261 PolarHBondContact O-N 3.43Å; I258-Q262 HydrophobicContact CG2-CG 4.4Å; I258-Q262 WeakPolarHBondContact O-CG 3.45Å; I258-Q262 PolarHBondContact O-N 2.94Å
259Q95.8Very high96.5Very high103 Ų10397.1 Ų97.148%0.48150%0.498SS..Hα-helixtrans-60.4-42177.4-72.8174-7.500112.2V255 Q256 R261 Q262 L263V255-Q259 HydrophobicContact CG1-CG 4.36Å; V255-Q259 WeakPolarHBondContact O-CG 3.5Å; V255-Q259 PolarHBondContact O-N 3.44Å; Q256-Q259 PolarHBondContact O-N 3.33Å; Q259-R261 VanDerWaalsContact C-N 3.35Å; Q259-R261 PolarHBondContact O-N 2.92Å; Q259-Q262 PolarHBondContact O-N 2.68Å; Q259-L263 WeakPolarHBondContact O-CB 3.49Å; Q259-L263 VanDerWaalsContact O-CG 3.25Å; Q259-L263 WeakPolarHBondContact O-CG 3.35Å; Q259-L263 PolarHBondContact O-N 3.16Å
260I97.5Very high96.6Very high93 Ų9399.2 Ų99.248%0.47751%0.505SS..Hα-helixtrans-63.6-39.1176.3-69.9165.3000111.5Q256 I258 T264Q256-I260 HydrophobicContact CG-CD1 4.02Å; Q256-I260 WeakPolarHBondContact O-CB 3.42Å; Q256-I260 VanDerWaalsContact O-CG1 3.26Å; Q256-I260 WeakPolarHBondContact O-CG1 3.5Å; Q256-I260 PolarHBondContact O-N 2.92Å; I258-I260 PolarHBondContact O-N 3.43Å; I260-T264 PolarHBondContact O-N 2.92Å; I260-T264 PolarHBondContact O-OG1 2.91Å
261R97.5Very high96.7Very high164 Ų16499.3 Ų99.362%0.61950%0.503SS*.Hα-helixtrans-63.9-50.2173.5-73.4176.3-178.3171.30.4111.5R257 I258 Q259 L263 T264 E265R257-R261 WeakPolarHBondContact O-CG 3.32Å; R257-R261 PolarHBondContact O-N 2.94Å; R257-R261 VanDerWaalsContact O-N 3.15Å; I258-R261 WeakPolarHBondContact O-CB 3.36Å; I258-R261 PolarHBondContact O-N 3.43Å; Q259-R261 VanDerWaalsContact C-N 3.35Å; Q259-R261 PolarHBondContact O-N 2.92Å; R261-L263 VanDerWaalsContact C-N 3.31Å; R261-L263 PolarHBondContact O-N 3.39Å; R261-T264 WeakPolarHBondContact CA-OG1 3.44Å; R261-T264 PolarHBondContact O-N 3.04Å; R261-T264 VanDerWaalsContact O-N 3.1Å; R261-T264 PolarHBondContact O-OG1 3.01Å; R261-E265 WeakPolarHBondContact O-CB 3.31Å; R261-E265 WeakPolarHBondContact O-CG 3.47Å; R261-E265 PolarHBondContact O-N 3.44Å
262Q97.2Very high96.8Very high104 Ų10495.8 Ų95.849%0.48649%0.493SS..Hα-helixtrans-59.2-40.5177.3-71.3174.1-23.500112.4I258 Q259 E265 L266I258-Q262 HydrophobicContact CG2-CG 4.4Å; I258-Q262 WeakPolarHBondContact O-CG 3.45Å; I258-Q262 PolarHBondContact O-N 2.94Å; Q259-Q262 PolarHBondContact O-N 2.68Å; Q262-E265 PolarHBondContact O-N 3.26Å; Q262-L266 WeakPolarHBondContact O-CB 3.49Å; Q262-L266 VanDerWaalsContact O-CG 3.24Å; Q262-L266 WeakPolarHBondContact O-CG 3.32Å; Q262-L266 PolarHBondContact O-N 2.91Å
263L96.5Very high96.9Very high114 Ų11498.1 Ų98.160%0.59749%0.493SS*.Hα-helixtrans-64.7-39.5175.3-75.1169.8000112.4Q259 R261 Q267Q259-L263 WeakPolarHBondContact O-CB 3.49Å; Q259-L263 VanDerWaalsContact O-CG 3.25Å; Q259-L263 WeakPolarHBondContact O-CG 3.35Å; Q259-L263 PolarHBondContact O-N 3.16Å; R261-L263 VanDerWaalsContact C-N 3.31Å; R261-L263 PolarHBondContact O-N 3.39Å; L263-Q267 VanDerWaalsContact O-CB 3.23Å; L263-Q267 WeakPolarHBondContact O-CB 2.79Å; L263-Q267 PolarHBondContact O-N 3.32Å
264T97.3Very high96.9Very high78 Ų7897.4 Ų97.448%0.47949%0.49SS..Hα-helixtrans-74.5-33.317844.40000112.8I260 R261 Q267 S268I260-T264 PolarHBondContact O-N 2.92Å; I260-T264 PolarHBondContact O-OG1 2.91Å; R261-T264 WeakPolarHBondContact CA-OG1 3.44Å; R261-T264 PolarHBondContact O-N 3.04Å; R261-T264 VanDerWaalsContact O-N 3.1Å; R261-T264 PolarHBondContact O-OG1 3.01Å; T264-Q267 PolarHBondContact O-N 3.36Å; T264-S268 PolarHBondContact O-N 3.42Å
265E97.3Very high96.9Very high115 Ų11597.4 Ų97.454%0.53749%0.493SS..Hα-helixtrans-63.3-51.5169.1-72.8162.8-163.600111.2R261 Q262 Q267 S268 V269R261-E265 WeakPolarHBondContact O-CB 3.31Å; R261-E265 WeakPolarHBondContact O-CG 3.47Å; R261-E265 PolarHBondContact O-N 3.44Å; Q262-E265 PolarHBondContact O-N 3.26Å; E265-Q267 VanDerWaalsContact C-N 3.28Å; E265-Q267 PolarHBondContact O-N 2.97Å; E265-S268 PolarHBondContact O-N 3.21Å; E265-S268 VanDerWaalsContact O-N 3.08Å; E265-S268 PolarHBondContact O-OG 2.87Å; E265-V269 WeakPolarHBondContact O-CG2 3.47Å; E265-V269 PolarHBondContact O-N 3.31Å
266L96.3Very high96.9Very high112 Ų11299.4 Ų99.459%0.58650%0.498SS*.Hα-helixtrans-59.5-39.4175.4-71.6170.8000111.9Q262 S268 V269 V270Q262-L266 WeakPolarHBondContact O-CB 3.49Å; Q262-L266 VanDerWaalsContact O-CG 3.24Å; Q262-L266 WeakPolarHBondContact O-CG 3.32Å; Q262-L266 PolarHBondContact O-N 2.91Å; L266-S268 VanDerWaalsContact C-N 3.3Å; L266-S268 PolarHBondContact O-N 2.96Å; L266-V269 PolarHBondContact O-N 3.5Å; L266-V270 WeakPolarHBondContact O-CG2 3.33Å; L266-V270 PolarHBondContact O-N 3.26Å
267Q98Very high96.9Very high112 Ų11299.7 Ų99.752%0.52349%0.494SS..Hα-helixtrans-66.8-29.3176.7-166.6-179.532.600112.8L263 T264 E265 K271L263-Q267 VanDerWaalsContact O-CB 3.23Å; L263-Q267 WeakPolarHBondContact O-CB 2.79Å; L263-Q267 PolarHBondContact O-N 3.32Å; T264-Q267 PolarHBondContact O-N 3.36Å; E265-Q267 VanDerWaalsContact C-N 3.28Å; E265-Q267 PolarHBondContact O-N 2.97Å; Q267-K271 WeakPolarHBondContact O-CG 3.46Å; Q267-K271 PolarHBondContact O-N 2.88Å
268S96.6Very high96.9Very high71 Ų7198.5 Ų98.550%0.49749%0.494SS..Hα-helixtrans-74.9-40174.279.60000111.6T264 E265 L266 K271 S272T264-S268 PolarHBondContact O-N 3.42Å; E265-S268 PolarHBondContact O-N 3.21Å; E265-S268 VanDerWaalsContact O-N 3.08Å; E265-S268 PolarHBondContact O-OG 2.87Å; L266-S268 VanDerWaalsContact C-N 3.3Å; L266-S268 PolarHBondContact O-N 2.96Å; S268-K271 PolarHBondContact O-N 3.3Å; S268-S272 PolarHBondContact O-N 2.91Å
269V97.8Very high97Very high65 Ų6597.5 Ų97.539%0.39449%0.494SS..Hα-helixtrans-61.6-44173.9174.30000111.6E265 L266 K271 S272 Q273E265-V269 WeakPolarHBondContact O-CG2 3.47Å; E265-V269 PolarHBondContact O-N 3.31Å; L266-V269 PolarHBondContact O-N 3.5Å; V269-K271 VanDerWaalsContact C-N 3.33Å; V269-K271 PolarHBondContact O-N 2.99Å; V269-S272 PolarHBondContact O-N 3.1Å; V269-S272 PolarHBondContact O-OG 2.93Å; V269-Q273 HydrophobicContact CG1-CG 4.38Å; V269-Q273 WeakPolarHBondContact O-CB 3.33Å; V269-Q273 WeakPolarHBondContact O-CG 3.47Å; V269-Q273 PolarHBondContact O-N 3.48Å
270V97Very high97Very high73 Ų7397.7 Ų97.744%0.44250%0.498SS..Hα-helixtrans-58.7-45.5175.41690000110.8L266 S272 Q273 E274L266-V270 WeakPolarHBondContact O-CG2 3.33Å; L266-V270 PolarHBondContact O-N 3.26Å; V270-S272 PolarHBondContact O-N 2.94Å; V270-Q273 PolarHBondContact O-N 3.24Å; V270-E274 HydrophobicContact CG1-CG 4.39Å; V270-E274 WeakPolarHBondContact O-CB 3.34Å; V270-E274 WeakPolarHBondContact O-CG 3.44Å; V270-E274 PolarHBondContact O-N 2.89Å
271K97.9Very high97Very high129 Ų12999.8 Ų99.856%0.56150%0.5SS*.Hα-helixtrans-63-38.4178.1-74.3170.2177.8174.90112.9Q267 S268 V269 A275Q267-K271 WeakPolarHBondContact O-CG 3.46Å; Q267-K271 PolarHBondContact O-N 2.88Å; S268-K271 PolarHBondContact O-N 3.3Å; V269-K271 VanDerWaalsContact C-N 3.33Å; V269-K271 PolarHBondContact O-N 2.99Å; K271-A275 PolarHBondContact O-N 3.47Å; K271-A275 VanDerWaalsContact O-N 3.14Å
272S96.4Very high97Very high55 Ų5596.7 Ų96.739%0.38549%0.492SS..Hα-helixtrans-68.5-44.5176.866.30000111.5S268 V269 V270 E274 A275 E276S268-S272 PolarHBondContact O-N 2.91Å; V269-S272 PolarHBondContact O-N 3.1Å; V269-S272 PolarHBondContact O-OG 2.93Å; V270-S272 PolarHBondContact O-N 2.94Å; S272-E274 VanDerWaalsContact C-N 3.3Å; S272-E274 PolarHBondContact O-N 3.42Å; S272-A275 WeakPolarHBondContact O-CB 3.28Å; S272-A275 PolarHBondContact O-N 3.08Å; S272-A275 VanDerWaalsContact O-N 3.16Å; S272-E276 WeakPolarHBondContact O-CG 3.49Å; S272-E276 PolarHBondContact O-N 2.99Å
273Q95.6Very high97Very high110 Ų11096.4 Ų96.451%0.51449%0.491SS..Hα-helixtrans-63.3-34.4175.5-70.7178.2-10.700112.6V269 V270 R277V269-Q273 HydrophobicContact CG1-CG 4.38Å; V269-Q273 WeakPolarHBondContact O-CB 3.33Å; V269-Q273 WeakPolarHBondContact O-CG 3.47Å; V269-Q273 PolarHBondContact O-N 3.48Å; V270-Q273 PolarHBondContact O-N 3.24Å; Q273-R277 VanDerWaalsContact O-CB 3.28Å; Q273-R277 WeakPolarHBondContact O-CB 3.39Å; Q273-R277 PolarHBondContact O-N 3.27Å
274E96.9Very high97Very high87 Ų8795.6 Ų95.641%0.40749%0.487SS..Hα-helixtrans-66.3-38.9173.5-77-175.2142.200112.5V270 S272 Q278V270-E274 HydrophobicContact CG1-CG 4.39Å; V270-E274 WeakPolarHBondContact O-CB 3.34Å; V270-E274 WeakPolarHBondContact O-CG 3.44Å; V270-E274 PolarHBondContact O-N 2.89Å; S272-E274 VanDerWaalsContact C-N 3.3Å; S272-E274 PolarHBondContact O-N 3.42Å; E274-Q278 VanDerWaalsContact O-CG 3.31Å; E274-Q278 WeakPolarHBondContact O-CG 3.46Å; E274-Q278 PolarHBondContact O-N 2.95Å
275A95.7Very high97Very high56 Ų5696.1 Ų96.146%0.46349%0.487SS..Hα-helixtrans-68.2-43.4174.700000112K271 S272 R277 Q278 S279K271-A275 PolarHBondContact O-N 3.47Å; K271-A275 VanDerWaalsContact O-N 3.14Å; S272-A275 WeakPolarHBondContact O-CB 3.28Å; S272-A275 PolarHBondContact O-N 3.08Å; S272-A275 VanDerWaalsContact O-N 3.16Å; A275-R277 PolarHBondContact O-N 2.89Å; A275-Q278 PolarHBondContact O-N 3.32Å; A275-S279 PolarHBondContact O-N 3.48Å
276E96.8Very high97Very high119 Ų11997 Ų9756%0.55649%0.485SS*.Hα-helixtrans-58.5-46.7172.6-73.4172.6-176.400111.3S272 Q278 S279 L280S272-E276 WeakPolarHBondContact O-CG 3.49Å; S272-E276 PolarHBondContact O-N 2.99Å; E276-Q278 VanDerWaalsContact C-N 3.29Å; E276-Q278 PolarHBondContact O-N 3.3Å; E276-S279 WeakPolarHBondContact O-CB 3.39Å; E276-S279 PolarHBondContact O-N 2.9Å; E276-S279 VanDerWaalsContact O-N 3.14Å; E276-L280 WeakPolarHBondContact O-CG 3.43Å; E276-L280 PolarHBondContact O-N 3.33Å
277R97.3Very high97.1Very high120 Ų12097.4 Ų97.445%0.45349%0.485SS..Hα-helixtrans-59.7-37.4175.5-174-173.966.8173.4-6.3112.4Q273 A275 R281Q273-R277 VanDerWaalsContact O-CB 3.28Å; Q273-R277 WeakPolarHBondContact O-CB 3.39Å; Q273-R277 PolarHBondContact O-N 3.27Å; A275-R277 PolarHBondContact O-N 2.89Å; R277-R281 VanDerWaalsContact O-CG 3.28Å; R277-R281 WeakPolarHBondContact O-CG 3.41Å; R277-R281 PolarHBondContact O-N 3.42Å; R277-R281 VanDerWaalsContact O-N 3.14Å
278Q97.8Very high97.1Very high109 Ų10996.8 Ų96.851%0.50948%0.482SS..Hα-helixtrans-69.4-40.7175-73.3174.721.300111.8E274 A275 E276 R281 Q282E274-Q278 VanDerWaalsContact O-CG 3.31Å; E274-Q278 WeakPolarHBondContact O-CG 3.46Å; E274-Q278 PolarHBondContact O-N 2.95Å; A275-Q278 PolarHBondContact O-N 3.32Å; E276-Q278 VanDerWaalsContact C-N 3.29Å; E276-Q278 PolarHBondContact O-N 3.3Å; Q278-R281 PolarHBondContact O-N 3.09Å; Q278-Q282 WeakPolarHBondContact O-CG 3.42Å; Q278-Q282 PolarHBondContact O-N 3.35Å; Q278-Q282 VanDerWaalsContact O-N 3.11Å
279S97.3Very high97.1Very high58 Ų5896 Ų9641%0.40648%0.477SS..Hα-helixtrans-62.3-47.5175.8-171.80000112A275 E276 R281 Q282 Q283A275-S279 PolarHBondContact O-N 3.48Å; E276-S279 WeakPolarHBondContact O-CB 3.39Å; E276-S279 PolarHBondContact O-N 2.9Å; E276-S279 VanDerWaalsContact O-N 3.14Å; S279-R281 VanDerWaalsContact C-N 3.33Å; S279-R281 PolarHBondContact O-N 3.42Å; S279-Q282 PolarHBondContact O-N 2.88Å; S279-Q283 PolarHBondContact O-N 3.17Å
280L96.3Very high97.1Very high107 Ų10798.1 Ų98.156%0.5648%0.482SS*.Hα-helixtrans-62.1-37.8177.3-71.7174.7000112.4E276 Q283 L284E276-L280 WeakPolarHBondContact O-CG 3.43Å; E276-L280 PolarHBondContact O-N 3.33Å; L280-Q283 PolarHBondContact O-N 2.91Å; L280-L284 WeakPolarHBondContact O-CB 3.46Å; L280-L284 PolarHBondContact O-N 2.94Å
281R98Very high97.1Very high138 Ų13899.4 Ų99.452%0.52149%0.486SS..Hα-helixtrans-60.5-49.3172.2-77.5171.3177.6-175.6-3.2111.8R277 Q278 S279 Q283 L284 D285R277-R281 VanDerWaalsContact O-CG 3.28Å; R277-R281 WeakPolarHBondContact O-CG 3.41Å; R277-R281 PolarHBondContact O-N 3.42Å; R277-R281 VanDerWaalsContact O-N 3.14Å; Q278-R281 PolarHBondContact O-N 3.09Å; S279-R281 VanDerWaalsContact C-N 3.33Å; S279-R281 PolarHBondContact O-N 3.42Å; R281-Q283 PolarHBondContact O-N 3.23Å; R281-L284 WeakPolarHBondContact O-CA 3.29Å; R281-L284 WeakPolarHBondContact O-CB 3.28Å; R281-L284 PolarHBondContact O-N 3.16Å; R281-D285 PolarHBondContact O-N 3.45Å
282Q97.3Very high97.1Very high98 Ų9898.8 Ų98.846%0.45849%0.485SS..Hα-helixtrans-62.6-30.1177.6-67.9177.114.500113.4Q278 S279 R286Q278-Q282 WeakPolarHBondContact O-CG 3.42Å; Q278-Q282 PolarHBondContact O-N 3.35Å; Q278-Q282 VanDerWaalsContact O-N 3.11Å; S279-Q282 PolarHBondContact O-N 2.88Å; Q282-R286 WeakPolarHBondContact O-CD 3.27Å; Q282-R286 VanDerWaalsContact O-CG 3.24Å; Q282-R286 WeakPolarHBondContact O-CG 3.47Å; Q282-R286 PolarHBondContact O-N 3.4Å
283Q96.9Very high97.1Very high99 Ų99101.2 Ų101.246%0.46349%0.49SS..Hα-helixtrans-69.8-43.4171.9-71.9177.8-6.300111.1S279 L280 R281 R286 M287S279-Q283 PolarHBondContact O-N 3.17Å; L280-Q283 PolarHBondContact O-N 2.91Å; R281-Q283 PolarHBondContact O-N 3.23Å; Q283-R286 PolarHBondContact O-N 2.89Å; Q283-M287 WeakPolarHBondContact O-CG 3.41Å; Q283-M287 PolarHBondContact O-N 2.89Å
284L96.6Very high97.1Very high97 Ų9798.4 Ų98.451%0.50848%0.483SS..Hα-helixtrans-62-47.1177.6-161.2155.9000111.2L280 R281 R286 M287 E288L280-L284 WeakPolarHBondContact O-CB 3.46Å; L280-L284 PolarHBondContact O-N 2.94Å; R281-L284 WeakPolarHBondContact O-CA 3.29Å; R281-L284 WeakPolarHBondContact O-CB 3.28Å; R281-L284 PolarHBondContact O-N 3.16Å; L284-R286 VanDerWaalsContact C-N 3.26Å; L284-R286 PolarHBondContact O-N 3Å; L284-M287 PolarHBondContact O-N 3.4Å; L284-E288 HydrophobicContact CD2-CG 3.94Å; L284-E288 VanDerWaalsContact CD2-OE1 3.28Å; L284-E288 WeakPolarHBondContact CD2-OE1 3.46Å; L284-E288 WeakPolarHBondContact O-CG 3.32Å; L284-E288 PolarHBondContact O-N 3.45Å
285D97.9Very high97.1Very high89 Ų89100.1 Ų100.148%0.47649%0.491SS..Hα-helixtrans-57.5-37.1176.2-57.9-28.7000112.3R281 S289R281-D285 PolarHBondContact O-N 3.45Å; D285-S289 WeakPolarHBondContact O-CB 3.28Å; D285-S289 PolarHBondContact O-N 3.45Å; D285-S289 VanDerWaalsContact O-N 3.11Å; D285-S289 PolarHBondContact O-OG 3.39Å
286R97.9Very high97.2Very high133 Ų133103.4 Ų103.450%0.50250%0.497SS..Hα-helixtrans-68.9-49175.4-72.7170.2-164.113511111.7Q282 Q283 L284 E288 S289 E290Q282-R286 WeakPolarHBondContact O-CD 3.27Å; Q282-R286 VanDerWaalsContact O-CG 3.24Å; Q282-R286 WeakPolarHBondContact O-CG 3.47Å; Q282-R286 PolarHBondContact O-N 3.4Å; Q283-R286 PolarHBondContact O-N 2.89Å; L284-R286 VanDerWaalsContact C-N 3.26Å; L284-R286 PolarHBondContact O-N 3Å; R286-E288 VanDerWaalsContact C-N 3.31Å; R286-E288 PolarHBondContact O-N 2.9Å; R286-S289 WeakPolarHBondContact O-CB 3.31Å; R286-S289 PolarHBondContact O-N 2.84Å; R286-S289 VanDerWaalsContact O-N 3.1Å; R286-E290 WeakPolarHBondContact O-CG 3.32Å; R286-E290 PolarHBondContact O-N 2.88Å
287M96.8Very high97.3Very high120 Ų120103.2 Ų103.259%0.59150%0.496SS*.Hα-helixtrans-61.7-38.3178.6-66.2-57.2-56.200111.9Q283 L284 E290 L291Q283-M287 WeakPolarHBondContact O-CG 3.41Å; Q283-M287 PolarHBondContact O-N 2.89Å; L284-M287 PolarHBondContact O-N 3.4Å; M287-E290 PolarHBondContact O-N 2.82Å; M287-L291 VanDerWaalsContact O-CB 3.3Å; M287-L291 WeakPolarHBondContact O-CB 3.35Å; M287-L291 PolarHBondContact O-N 3.49Å
288E97.7Very high97.2Very high99 Ų99101.3 Ų101.346%0.46350%0.495SS..Hα-helixtrans-64-40.5173.2-74.4-173167.200111.8L284 R286 L291 Q292L284-E288 HydrophobicContact CD2-CG 3.94Å; L284-E288 VanDerWaalsContact CD2-OE1 3.28Å; L284-E288 WeakPolarHBondContact CD2-OE1 3.46Å; L284-E288 WeakPolarHBondContact O-CG 3.32Å; L284-E288 PolarHBondContact O-N 3.45Å; R286-E288 VanDerWaalsContact C-N 3.31Å; R286-E288 PolarHBondContact O-N 2.9Å; E288-L291 PolarHBondContact O-N 2.9Å; E288-Q292 VanDerWaalsContact O-CG 3.28Å; E288-Q292 WeakPolarHBondContact O-CG 3.35Å; E288-Q292 PolarHBondContact O-N 3.23Å
289S97.7Very high97.2Very high54 Ų5498.3 Ų98.338%0.37849%0.493SS..Hα-helixtrans-65.6-42.1176.6-58.80000112.3D285 R286 Q292 Q293D285-S289 WeakPolarHBondContact O-CB 3.28Å; D285-S289 PolarHBondContact O-N 3.45Å; D285-S289 VanDerWaalsContact O-N 3.11Å; D285-S289 PolarHBondContact O-OG 3.39Å; R286-S289 WeakPolarHBondContact O-CB 3.31Å; R286-S289 PolarHBondContact O-N 2.84Å; R286-S289 VanDerWaalsContact O-N 3.1Å; S289-Q292 PolarHBondContact O-N 3.02Å; S289-Q293 WeakPolarHBondContact O-CG 3.28Å; S289-Q293 PolarHBondContact O-N 2.96Å
290E97.4Very high97.2Very high111 Ų111101 Ų10152%0.51950%0.499SS..Hα-helixtrans-65.2-40.2175.3-71.8172.9-162.400111.6R286 M287 Q293 S294R286-E290 WeakPolarHBondContact O-CG 3.32Å; R286-E290 PolarHBondContact O-N 2.88Å; M287-E290 PolarHBondContact O-N 2.82Å; E290-Q293 PolarHBondContact O-N 3.47Å; E290-S294 WeakPolarHBondContact O-CB 3.16Å; E290-S294 PolarHBondContact O-N 2.89Å
291L96.7Very high97.2Very high99 Ų99100.7 Ų100.752%0.51850%0.497SS..Hα-helixtrans-64.2-42.3174.8-178.563000112M287 E288 S294 H295M287-L291 VanDerWaalsContact O-CB 3.3Å; M287-L291 WeakPolarHBondContact O-CB 3.35Å; M287-L291 PolarHBondContact O-N 3.49Å; E288-L291 PolarHBondContact O-N 2.9Å; L291-S294 PolarHBondContact O-N 3.34Å; L291-H295 PolarHBondContact O-CD2 2.86Å; L291-H295 VanDerWaalsContact O-CD2 3.27Å; L291-H295 PolarHBondContact O-N 3.27Å
292Q97.9Very high97.2Very high116 Ų11697 Ų9754%0.54249%0.49SS..Hα-helixtrans-60.7-48.2174.4-74.4171.320.100111.3E288 S289 S294 H295 E296E288-Q292 VanDerWaalsContact O-CG 3.28Å; E288-Q292 WeakPolarHBondContact O-CG 3.35Å; E288-Q292 PolarHBondContact O-N 3.23Å; S289-Q292 PolarHBondContact O-N 3.02Å; Q292-S294 VanDerWaalsContact C-N 3.32Å; Q292-S294 PolarHBondContact O-N 3.39Å; Q292-H295 PolarHBondContact O-N 3.14Å; Q292-H295 VanDerWaalsContact O-N 3.15Å; Q292-E296 WeakPolarHBondContact O-CG 3.3Å; Q292-E296 PolarHBondContact O-N 2.9Å
293Q97.4Very high97.2Very high106 Ų10693.7 Ų93.750%0.49548%0.482SS..Hα-helixtrans-60.7-39.8176.3-71173.930.500112.2S289 E290 E296 Q297S289-Q293 WeakPolarHBondContact O-CG 3.28Å; S289-Q293 PolarHBondContact O-N 2.96Å; E290-Q293 PolarHBondContact O-N 3.47Å; Q293-E296 PolarHBondContact O-N 2.91Å; Q293-Q297 WeakPolarHBondContact O-CB 3.33Å; Q293-Q297 VanDerWaalsContact O-CG 3.23Å; Q293-Q297 WeakPolarHBondContact O-CG 3.47Å; Q293-Q297 PolarHBondContact O-N 2.98Å
294S94.1Very high97.3Very high51 Ų5196.8 Ų96.836%0.35749%0.49SS..Hα-helixtrans-63.4-41.7174.4-177.10000112E290 L291 Q292 Q297 N298E290-S294 WeakPolarHBondContact O-CB 3.16Å; E290-S294 PolarHBondContact O-N 2.89Å; L291-S294 PolarHBondContact O-N 3.34Å; Q292-S294 VanDerWaalsContact C-N 3.32Å; Q292-S294 PolarHBondContact O-N 3.39Å; S294-Q297 PolarHBondContact O-N 3.33Å; S294-N298 WeakPolarHBondContact O-CB 3.29Å; S294-N298 VanDerWaalsContact O-CG 3.31Å; S294-N298 PolarHBondContact O-N 2.9Å; S294-N298 PolarHBondContact O-ND2 2.65Å
295H97.5Very high97.3Very high123 Ų12396.7 Ų96.757%0.56949%0.489SS*.Hα-helixtrans-64.1-41.3173.9-80.3-55.6000112.7L291 Q292 N298 G299L291-H295 PolarHBondContact O-CD2 2.86Å; L291-H295 VanDerWaalsContact O-CD2 3.27Å; L291-H295 PolarHBondContact O-N 3.27Å; Q292-H295 PolarHBondContact O-N 3.14Å; Q292-H295 VanDerWaalsContact O-N 3.15Å; H295-N298 PolarHBondContact O-N 3.19Å; H295-G299 PolarHBondContact O-N 3.49Å
296E98.1Very high97.2Very high126 Ų12696.5 Ų96.559%0.58949%0.485SS*.Hα-helixtrans-62.9-45.3174.8-71.6178.4178.600112Q292 Q293 G299 Q300Q292-E296 WeakPolarHBondContact O-CG 3.3Å; Q292-E296 PolarHBondContact O-N 2.9Å; Q293-E296 PolarHBondContact O-N 2.91Å; E296-G299 PolarHBondContact O-N 3.14Å; E296-Q300 WeakPolarHBondContact O-CG 3.24Å; E296-Q300 PolarHBondContact O-N 2.76Å
297Q97.9Very high97.2Very high114 Ų11498 Ų9853%0.53349%0.491SS..Hα-helixtrans-61.3-45.6175.6-72.317221.900111.6Q293 S294 G299 Q300 L301Q293-Q297 WeakPolarHBondContact O-CB 3.33Å; Q293-Q297 VanDerWaalsContact O-CG 3.23Å; Q293-Q297 WeakPolarHBondContact O-CG 3.47Å; Q293-Q297 PolarHBondContact O-N 2.98Å; S294-Q297 PolarHBondContact O-N 3.33Å; Q297-G299 VanDerWaalsContact C-N 3.3Å; Q297-G299 PolarHBondContact O-N 2.86Å; Q297-Q300 WeakPolarHBondContact O-CB 3.3Å; Q297-Q300 PolarHBondContact O-N 3.29Å; Q297-Q300 VanDerWaalsContact O-N 3.15Å; Q297-L301 WeakPolarHBondContact O-CG 3.33Å; Q297-L301 PolarHBondContact O-N 3.24Å
298N96Very high97.1Very high81 Ų8194.8 Ų94.843%0.43348%0.483SS..Hα-helixtrans-61.6-37.2174.8-78.2-45.8000112.3S294 H295 L301 T302S294-N298 WeakPolarHBondContact O-CB 3.29Å; S294-N298 VanDerWaalsContact O-CG 3.31Å; S294-N298 PolarHBondContact O-N 2.9Å; S294-N298 PolarHBondContact O-ND2 2.65Å; H295-N298 PolarHBondContact O-N 3.19Å; N298-L301 PolarHBondContact O-N 3.4Å; N298-T302 VanDerWaalsContact O-CB 3.26Å; N298-T302 WeakPolarHBondContact O-CB 3.49Å; N298-T302 PolarHBondContact O-N 3.03Å; N298-T302 PolarHBondContact O-OG1 3.05Å
299G97.9Very high97Very high45 Ų4594.7 Ų94.746%0.46448%0.483SS..Hα-helixtrans-62.3-43.5171.900000112.5H295 E296 Q297 G303H295-G299 PolarHBondContact O-N 3.49Å; E296-G299 PolarHBondContact O-N 3.14Å; Q297-G299 VanDerWaalsContact C-N 3.3Å; Q297-G299 PolarHBondContact O-N 2.86Å; G299-G303 PolarHBondContact O-N 3.08Å
300Q97.7Very high97Very high114 Ų11499.8 Ų99.853%0.53349%0.494SS..Hα-helixtrans-65.5-43.1176-68.2176.434.900112.4E296 Q297 G303 R304E296-Q300 WeakPolarHBondContact O-CG 3.24Å; E296-Q300 PolarHBondContact O-N 2.76Å; Q297-Q300 WeakPolarHBondContact O-CB 3.3Å; Q297-Q300 PolarHBondContact O-N 3.29Å; Q297-Q300 VanDerWaalsContact O-N 3.15Å; Q300-G303 PolarHBondContact O-N 2.9Å; Q300-R304 WeakPolarHBondContact O-CG 3.37Å; Q300-R304 PolarHBondContact O-N 3.49Å
301L96.7Very high97Very high101 Ų101100.4 Ų100.453%0.52950%0.497SS..Hα-helixtrans-65.4-46.7177.7-69.9175000111.4Q297 N298 G303 R304 L305Q297-L301 WeakPolarHBondContact O-CG 3.33Å; Q297-L301 PolarHBondContact O-N 3.24Å; N298-L301 PolarHBondContact O-N 3.4Å; L301-G303 VanDerWaalsContact C-N 3.27Å; L301-G303 PolarHBondContact O-N 2.95Å; L301-R304 WeakPolarHBondContact O-CB 3.48Å; L301-R304 PolarHBondContact O-N 3.2Å; L301-R304 VanDerWaalsContact O-N 3.07Å; L301-L305 PolarHBondContact O-N 3.01Å
302T97.1Very high96.9Very high62 Ų6298.1 Ų98.138%0.3849%0.492SS..Hα-helixtrans-57.6-40.9172.4-56.50000111.3N298 R304 L305 H306N298-T302 VanDerWaalsContact O-CB 3.26Å; N298-T302 WeakPolarHBondContact O-CB 3.49Å; N298-T302 PolarHBondContact O-N 3.03Å; N298-T302 PolarHBondContact O-OG1 3.05Å; T302-R304 VanDerWaalsContact C-N 3.34Å; T302-R304 PolarHBondContact O-N 3.48Å; T302-L305 PolarHBondContact O-N 3.19Å; T302-H306 VanDerWaalsContact CG2-CE1 3.43Å; T302-H306 WeakPolarHBondContact CG2-CE1 3.39Å; T302-H306 PolarHBondContact O-N 3.4Å; T302-H306 PolarHBondContact O-ND1 3.02Å
303G97.6Very high96.8Very high28 Ų2896.3 Ų96.329%0.28949%0.493SS..Hα-helixtrans-63.7-33.9174.800000114.1G299 Q300 L301 R307G299-G303 PolarHBondContact O-N 3.08Å; Q300-G303 PolarHBondContact O-N 2.9Å; L301-G303 VanDerWaalsContact C-N 3.27Å; L301-G303 PolarHBondContact O-N 2.95Å; G303-R307 WeakPolarHBondContact O-CG 3.32Å
304R97.9Very high96.8Very high163 Ų16393.8 Ų93.862%0.61549%0.489SS*.Hα-helixtrans-73.8-43173-70.5175.5-174.5-176.73.7111.6Q300 L301 T302 R307 A308Q300-R304 WeakPolarHBondContact O-CG 3.37Å; Q300-R304 PolarHBondContact O-N 3.49Å; L301-R304 WeakPolarHBondContact O-CB 3.48Å; L301-R304 PolarHBondContact O-N 3.2Å; L301-R304 VanDerWaalsContact O-N 3.07Å; T302-R304 VanDerWaalsContact C-N 3.34Å; T302-R304 PolarHBondContact O-N 3.48Å; R304-R307 WeakPolarHBondContact O-CB 3.48Å; R304-R307 PolarHBondContact O-N 2.9Å; R304-A308 PolarHBondContact O-N 3.49Å
305L96.6Very high96.9Very high96 Ų9696.2 Ų96.250%0.50350%0.498SS..Hα-helixtrans-55.4-54.2176-179.665.8000110.9L301 T302 R307 A308 E309L301-L305 PolarHBondContact O-N 3.01Å; T302-L305 PolarHBondContact O-N 3.19Å; L305-R307 PolarHBondContact O-N 3.44Å; L305-A308 PolarHBondContact O-N 2.9Å; L305-A308 VanDerWaalsContact O-N 3.09Å; L305-E309 HydrophobicContact CD1-CG 4.42Å; L305-E309 HydrophobicContact CG-CG 4.45Å; L305-E309 WeakPolarHBondContact O-CG 3.5Å; L305-E309 PolarHBondContact O-N 2.91Å
306H97.5Very high96.9Very high85 Ų8594 Ų9439%0.39449%0.493SS..Hα-helixtrans-60.6-20.1177.1-65.2157.2000113.9T302 E309 R310T302-H306 VanDerWaalsContact CG2-CE1 3.43Å; T302-H306 WeakPolarHBondContact CG2-CE1 3.39Å; T302-H306 PolarHBondContact O-N 3.4Å; T302-H306 PolarHBondContact O-ND1 3.02Å; H306-E309 IonicContact CD2-OE2 3Å; H306-E309 PolarHBondContact CD2-OE2 2.92Å; H306-R310 VanDerWaalsContact C-NH1 3.32Å; H306-R310 VanDerWaalsContact O-CG 3.27Å; H306-R310 WeakPolarHBondContact O-CG 3.43Å; H306-R310 PolarHBondContact O-NH1 3.02Å
307R97.8Very high96.8Very high165 Ų16590.9 Ų90.962%0.62349%0.489SS*.Hα-helixtrans-79.5-49.5172.5-71.8173.4-167.3-179.53.5110.4G303 R304 L305 E309 R310 E311G303-R307 WeakPolarHBondContact O-CG 3.32Å; R304-R307 WeakPolarHBondContact O-CB 3.48Å; R304-R307 PolarHBondContact O-N 2.9Å; L305-R307 PolarHBondContact O-N 3.44Å; R307-E309 VanDerWaalsContact C-N 3.29Å; R307-E309 PolarHBondContact O-N 3.06Å; R307-R310 PolarHBondContact O-N 3.02Å; R307-R310 VanDerWaalsContact O-N 3.08Å; R307-E311 WeakPolarHBondContact O-CG 3.49Å; R307-E311 PolarHBondContact O-N 2.81Å
308A94.2Very high96.8Very high52 Ų5290.9 Ų90.943%0.4349%0.489SS..Hα-helixtrans-57.9-39.1176.300000112.5R304 L305 E311 A312R304-A308 PolarHBondContact O-N 3.49Å; L305-A308 PolarHBondContact O-N 2.9Å; L305-A308 VanDerWaalsContact O-N 3.09Å; A308-E311 PolarHBondContact O-N 3.03Å; A308-A312 WeakPolarHBondContact O-CB 3.34Å; A308-A312 PolarHBondContact O-N 3.24Å
309E96.2Very high96.8Very high96 Ų9691.2 Ų91.245%0.44949%0.49SS..Hα-helixtrans-63.4-39.8174.7-72.1171.8166.600113L305 H306 R307 S313L305-E309 HydrophobicContact CD1-CG 4.42Å; L305-E309 HydrophobicContact CG-CG 4.45Å; L305-E309 WeakPolarHBondContact O-CG 3.5Å; L305-E309 PolarHBondContact O-N 2.91Å; H306-E309 IonicContact CD2-OE2 3Å; H306-E309 PolarHBondContact CD2-OE2 2.92Å; R307-E309 VanDerWaalsContact C-N 3.29Å; R307-E309 PolarHBondContact O-N 3.06Å; E309-S313 WeakPolarHBondContact O-CB 3.48Å; E309-S313 PolarHBondContact O-N 3.29Å; E309-S313 PolarHBondContact O-OG 2.92Å
310R97.5Very high96.8Very high161 Ų16192.9 Ų92.961%0.60849%0.488SS*.Hα-helixtrans-68.4-40.7175.2-71.8176.5-167.8107.9-6.8111.4H306 R307 S313 A314H306-R310 VanDerWaalsContact C-NH1 3.32Å; H306-R310 VanDerWaalsContact O-CG 3.27Å; H306-R310 WeakPolarHBondContact O-CG 3.43Å; H306-R310 PolarHBondContact O-NH1 3.02Å; R307-R310 PolarHBondContact O-N 3.02Å; R307-R310 VanDerWaalsContact O-N 3.08Å; R310-S313 PolarHBondContact O-N 3.02Å; R310-A314 WeakPolarHBondContact O-CB 3.46Å; R310-A314 PolarHBondContact O-N 3.13Å
311E97.2Very high96.7Very high124 Ų12491 Ų9158%0.57949%0.487SS*.Hα-helixtrans-63.1-46.4175.4-71.8165-159.100110.9R307 A308 S313 A314 L315R307-E311 WeakPolarHBondContact O-CG 3.49Å; R307-E311 PolarHBondContact O-N 2.81Å; A308-E311 PolarHBondContact O-N 3.03Å; E311-S313 PolarHBondContact O-N 3.08Å; E311-A314 PolarHBondContact O-N 2.93Å; E311-L315 WeakPolarHBondContact O-CB 3.49Å; E311-L315 WeakPolarHBondContact O-CG 3.24Å; E311-L315 PolarHBondContact O-N 3.27Å
312A94.3Very high96.7Very high51 Ų5191.8 Ų91.842%0.42149%0.492SS..Hα-helixtrans-60.9-40.9174.300000112.7A308 T316A308-A312 WeakPolarHBondContact O-CB 3.34Å; A308-A312 PolarHBondContact O-N 3.24Å; A312-T316 WeakPolarHBondContact O-CB 3.49Å; A312-T316 PolarHBondContact O-N 3.11Å; A312-T316 PolarHBondContact O-OG1 2.88Å
313S96.3Very high96.7Very high79 Ų7994 Ų9455%0.55250%0.496SS*.Hα-helixtrans-64.5-42.5175.1-58.60000111.8E309 R310 E311 T316 A317E309-S313 WeakPolarHBondContact O-CB 3.48Å; E309-S313 PolarHBondContact O-N 3.29Å; E309-S313 PolarHBondContact O-OG 2.92Å; R310-S313 PolarHBondContact O-N 3.02Å; E311-S313 PolarHBondContact O-N 3.08Å; S313-T316 PolarHBondContact O-N 3.42Å; S313-A317 PolarHBondContact O-N 3.47Å
314A97.6Very high96.7Very high52 Ų5298.2 Ų98.243%0.4351%0.508SS..Hα-helixtrans-66.1-43.3177.500000112.2R310 E311 T316 A317 Q318R310-A314 WeakPolarHBondContact O-CB 3.46Å; R310-A314 PolarHBondContact O-N 3.13Å; E311-A314 PolarHBondContact O-N 2.93Å; A314-T316 VanDerWaalsContact C-N 3.33Å; A314-T316 PolarHBondContact O-N 3.4Å; A314-A317 PolarHBondContact O-N 2.99Å; A314-Q318 WeakPolarHBondContact O-CG 3.3Å; A314-Q318 PolarHBondContact O-N 3.45Å
315L95.9Very high96.7Very high102 Ų10293 Ų9353%0.53450%0.497SS..Hα-helixtrans-63.7-38.5174.7-71.7172.4000111.7E311 Q318 I319E311-L315 WeakPolarHBondContact O-CB 3.49Å; E311-L315 WeakPolarHBondContact O-CG 3.24Å; E311-L315 PolarHBondContact O-N 3.27Å; L315-Q318 PolarHBondContact O-N 3.32Å; L315-I319 WeakPolarHBondContact O-CB 3.46Å; L315-I319 VanDerWaalsContact O-CG1 3.28Å; L315-I319 WeakPolarHBondContact O-CG1 3.24Å; L315-I319 PolarHBondContact O-N 3.2Å
316T96.6Very high96.7Very high77 Ų7793.2 Ų93.247%0.47250%0.495SS..Hα-helixtrans-62.9-45.7175.3-58.90000111A312 S313 A314 Q318 I319 D320A312-T316 WeakPolarHBondContact O-CB 3.49Å; A312-T316 PolarHBondContact O-N 3.11Å; A312-T316 PolarHBondContact O-OG1 2.88Å; S313-T316 PolarHBondContact O-N 3.42Å; A314-T316 VanDerWaalsContact C-N 3.33Å; A314-T316 PolarHBondContact O-N 3.4Å; T316-Q318 VanDerWaalsContact C-N 3.33Å; T316-Q318 PolarHBondContact O-N 3.12Å; T316-I319 PolarHBondContact O-N 2.85Å; T316-D320 PolarHBondContact O-N 3.41Å
317A96.5Very high96.7Very high61 Ų6196.2 Ų96.250%0.50451%0.507SS..Hα-helixtrans-62-37.1175.200000113S313 A314 S321S313-A317 PolarHBondContact O-N 3.47Å; A314-A317 PolarHBondContact O-N 2.99Å; A317-S321 PolarHBondContact O-N 3.14Å; A317-S321 PolarHBondContact O-OG 2.87Å
318Q97.8Very high96.7Very high114 Ų11493.2 Ų93.253%0.53350%0.503SS..Hα-helixtrans-67.1-41.9172.9-73.4178.61.800112.4A314 L315 T316 D320 S321 L322A314-Q318 WeakPolarHBondContact O-CG 3.3Å; A314-Q318 PolarHBondContact O-N 3.45Å; L315-Q318 PolarHBondContact O-N 3.32Å; T316-Q318 VanDerWaalsContact C-N 3.33Å; T316-Q318 PolarHBondContact O-N 3.12Å; Q318-D320 VanDerWaalsContact C-N 3.31Å; Q318-D320 PolarHBondContact O-N 3.33Å; Q318-S321 PolarHBondContact O-N 2.88Å; Q318-S321 PolarHBondContact O-OG 3.23Å; Q318-L322 WeakPolarHBondContact O-CB 3.41Å; Q318-L322 VanDerWaalsContact O-CG 3.28Å; Q318-L322 WeakPolarHBondContact O-CG 3.17Å; Q318-L322 PolarHBondContact O-N 3.22Å
319I96.4Very high96.8Very high88 Ų8895.5 Ų95.545%0.45150%0.504SS..Hα-helixtrans-61.6-42.1176-75.1167.3000110.4L315 T316 L322 K323L315-I319 WeakPolarHBondContact O-CB 3.46Å; L315-I319 VanDerWaalsContact O-CG1 3.28Å; L315-I319 WeakPolarHBondContact O-CG1 3.24Å; L315-I319 PolarHBondContact O-N 3.2Å; T316-I319 PolarHBondContact O-N 2.85Å; I319-L322 PolarHBondContact O-N 2.95Å; I319-K323 HydrophobicContact CG2-CD 4.21Å; I319-K323 WeakPolarHBondContact O-CB 3.1Å; I319-K323 VanDerWaalsContact O-CG 3.26Å; I319-K323 WeakPolarHBondContact O-CG 3.43Å; I319-K323 PolarHBondContact O-N 3.04Å
320D96.6Very high96.8Very high80 Ų8094.3 Ų94.343%0.42850%0.501SS..Hα-helixtrans-74.3-32.4-178.8-71.2-22000113.3T316 Q318 K323 H324T316-D320 PolarHBondContact O-N 3.41Å; Q318-D320 VanDerWaalsContact C-N 3.31Å; Q318-D320 PolarHBondContact O-N 3.33Å; D320-K323 WeakPolarHBondContact OD1-CD 3.28Å; D320-K323 IonicContact OD1-NZ 2.75Å; D320-K323 PolarHBondContact OD1-NZ 3.38Å; D320-H324 PolarHBondContact O-N 2.93Å
321S97.1Very high96.8Very high73 Ų7388.8 Ų88.851%0.5149%0.49SS..Hα-helixtrans-67.9-41.2170.771.20000111.9A317 Q318 H324 S325A317-S321 PolarHBondContact O-N 3.14Å; A317-S321 PolarHBondContact O-OG 2.87Å; Q318-S321 PolarHBondContact O-N 2.88Å; Q318-S321 PolarHBondContact O-OG 3.23Å; S321-H324 PolarHBondContact O-N 3.13Å; S321-H324 VanDerWaalsContact O-N 3.16Å; S321-S325 PolarHBondContact O-N 3.39Å
322L96.3Very high96.8Very high118 Ų11885.6 Ų85.662%0.61848%0.481SS*.Hα-helixtrans-63.6-43.3173.7-72.9171.3000112.1Q318 I319 H324 S325 H326Q318-L322 WeakPolarHBondContact O-CB 3.41Å; Q318-L322 VanDerWaalsContact O-CG 3.28Å; Q318-L322 WeakPolarHBondContact O-CG 3.17Å; Q318-L322 PolarHBondContact O-N 3.22Å; I319-L322 PolarHBondContact O-N 2.95Å; L322-H324 PolarHBondContact O-N 2.9Å; L322-S325 PolarHBondContact O-N 3.47Å; L322-H326 WeakPolarHBondContact O-CB 3Å; L322-H326 PolarHBondContact O-N 3.44Å
323K97.2Very high96.9Very high109 Ų10987 Ų8747%0.47448%0.484SS..Hα-helixtrans-58-37.5171.8-75.4171.2-166.5155.50111.8I319 D320 K327I319-K323 HydrophobicContact CG2-CD 4.21Å; I319-K323 WeakPolarHBondContact O-CB 3.1Å; I319-K323 VanDerWaalsContact O-CG 3.26Å; I319-K323 WeakPolarHBondContact O-CG 3.43Å; I319-K323 PolarHBondContact O-N 3.04Å; D320-K323 WeakPolarHBondContact OD1-CD 3.28Å; D320-K323 IonicContact OD1-NZ 2.75Å; D320-K323 PolarHBondContact OD1-NZ 3.38Å; K323-K327 WeakPolarHBondContact O-CB 3.43Å; K323-K327 VanDerWaalsContact O-CG 3.24Å; K323-K327 WeakPolarHBondContact O-CG 3.41Å; K323-K327 PolarHBondContact O-N 3.43Å; K323-K327 VanDerWaalsContact O-N 3.13Å
324H97.4Very high97Very high116 Ų11691.7 Ų91.754%0.53749%0.489SS..Hα-helixtrans-70.7-46.5177.7-169.866.9000111.6D320 S321 L322 H326 K327 L328D320-H324 PolarHBondContact O-N 2.93Å; S321-H324 PolarHBondContact O-N 3.13Å; S321-H324 VanDerWaalsContact O-N 3.16Å; L322-H324 PolarHBondContact O-N 2.9Å; H324-H326 PolarHBondContact O-N 2.86Å; H324-K327 PolarHBondContact O-N 3.31Å; H324-L328 WeakPolarHBondContact O-CG 3.49Å; H324-L328 PolarHBondContact O-N 2.74Å
325S97.7Very high96.9Very high54 Ų5493.9 Ų93.938%0.37849%0.494SS..Hα-helixtrans-54.8-51.4174.1-163.90000111.3S321 L322 K327 L328 E329S321-S325 PolarHBondContact O-N 3.39Å; L322-S325 PolarHBondContact O-N 3.47Å; S325-K327 VanDerWaalsContact C-N 3.31Å; S325-K327 PolarHBondContact O-N 3.25Å; S325-L328 WeakPolarHBondContact O-CA 3.28Å; S325-L328 WeakPolarHBondContact O-CB 3.4Å; S325-L328 PolarHBondContact O-N 3.04Å; S325-E329 WeakPolarHBondContact O-CG 3.42Å; S325-E329 PolarHBondContact O-N 3.41Å; S325-E329 PolarHBondContact OG-OE1 3.29Å
326H96.8Very high97Very high101 Ų10193.7 Ų93.747%0.46849%0.49SS..Hα-helixtrans-62.1-35.8-179.6-174.156.8000113.1L322 H324 E329 L330L322-H326 WeakPolarHBondContact O-CB 3Å; L322-H326 PolarHBondContact O-N 3.44Å; H324-H326 PolarHBondContact O-N 2.86Å; H326-E329 IonicContact ND1-OE2 2.68Å; H326-E329 PolarHBondContact O-N 3.14Å; H326-L330 WeakPolarHBondContact NE2-CD1 3.21Å; H326-L330 WeakPolarHBondContact O-CB 3.37Å; H326-L330 VanDerWaalsContact O-CG 3.31Å; H326-L330 WeakPolarHBondContact O-CG 3.37Å; H326-L330 PolarHBondContact O-N 3.39Å
327K97.8Very high96.9Very high147 Ų14793.8 Ų93.864%0.63949%0.493SS*.Hα-helixtrans-64.6-38.1172.7-78.2173.1-178-178.50112.3K323 H324 S325 A331K323-K327 WeakPolarHBondContact O-CB 3.43Å; K323-K327 VanDerWaalsContact O-CG 3.24Å; K323-K327 WeakPolarHBondContact O-CG 3.41Å; K323-K327 PolarHBondContact O-N 3.43Å; K323-K327 VanDerWaalsContact O-N 3.13Å; H324-K327 PolarHBondContact O-N 3.31Å; S325-K327 VanDerWaalsContact C-N 3.31Å; S325-K327 PolarHBondContact O-N 3.25Å; K327-A331 WeakPolarHBondContact O-CB 3.28Å; K327-A331 PolarHBondContact O-N 3.1Å; K327-A331 VanDerWaalsContact O-N 3.08Å
328L97.3Very high96.9Very high103 Ų10395.8 Ų95.854%0.53950%0.498SS..Hα-helixtrans-69.6-43.7176-66.6173000111.4H324 S325 A331 S332H324-L328 WeakPolarHBondContact O-CG 3.49Å; H324-L328 PolarHBondContact O-N 2.74Å; S325-L328 WeakPolarHBondContact O-CA 3.28Å; S325-L328 WeakPolarHBondContact O-CB 3.4Å; S325-L328 PolarHBondContact O-N 3.04Å; L328-A331 WeakPolarHBondContact O-CB 3.47Å; L328-A331 PolarHBondContact O-N 2.9Å; L328-A331 VanDerWaalsContact O-N 3.17Å; L328-S332 PolarHBondContact O-N 3.18Å
329E96.6Very high96.9Very high99 Ų9998 Ų9846%0.46350%0.502SS..Hα-helixtrans-58.9-49.6174.8-70.1155.3-145.200111.4S325 H326 A331 S332 V333S325-E329 WeakPolarHBondContact O-CG 3.42Å; S325-E329 PolarHBondContact O-N 3.41Å; S325-E329 PolarHBondContact OG-OE1 3.29Å; H326-E329 IonicContact ND1-OE2 2.68Å; H326-E329 PolarHBondContact O-N 3.14Å; E329-A331 VanDerWaalsContact C-N 3.26Å; E329-A331 PolarHBondContact O-N 3.02Å; E329-S332 PolarHBondContact O-N 3.35Å; E329-S332 VanDerWaalsContact O-N 3.13Å; E329-V333 WeakPolarHBondContact O-CG2 3.35Å; E329-V333 PolarHBondContact O-N 2.81Å
330L96.6Very high96.9Very high72 Ų7296.9 Ų96.938%0.37750%0.502SS..Hα-helixtrans-59-36.3174.7-76.7176.6000112.5H326 R334H326-L330 WeakPolarHBondContact NE2-CD1 3.21Å; H326-L330 WeakPolarHBondContact O-CB 3.37Å; H326-L330 VanDerWaalsContact O-CG 3.31Å; H326-L330 WeakPolarHBondContact O-CG 3.37Å; H326-L330 PolarHBondContact O-N 3.39Å; L330-R334 WeakPolarHBondContact O-CB 3.34Å; L330-R334 WeakPolarHBondContact O-CD 3.46Å; L330-R334 WeakPolarHBondContact O-CG 3.47Å; L330-R334 PolarHBondContact O-N 3.04Å; L330-R334 VanDerWaalsContact O-N 3.08Å
331A96.7Very high96.9Very high45 Ų4599.3 Ų99.337%0.37251%0.509SS..Hα-helixtrans-69-41.4175.100000111.9K327 L328 E329 R334 L335K327-A331 WeakPolarHBondContact O-CB 3.28Å; K327-A331 PolarHBondContact O-N 3.1Å; K327-A331 VanDerWaalsContact O-N 3.08Å; L328-A331 WeakPolarHBondContact O-CB 3.47Å; L328-A331 PolarHBondContact O-N 2.9Å; L328-A331 VanDerWaalsContact O-N 3.17Å; E329-A331 VanDerWaalsContact C-N 3.26Å; E329-A331 PolarHBondContact O-N 3.02Å; A331-R334 PolarHBondContact O-N 2.92Å; A331-L335 VanDerWaalsContact O-CG 3.32Å; A331-L335 WeakPolarHBondContact O-CG 3.28Å; A331-L335 PolarHBondContact O-N 2.88Å
332S97.4Very high96.9Very high57 Ų5796.5 Ų96.540%0.39949%0.492SS..Hα-helixtrans-61.3-52.2175.7-1590000111.3L328 E329 R334 L335 E336L328-S332 PolarHBondContact O-N 3.18Å; E329-S332 PolarHBondContact O-N 3.35Å; E329-S332 VanDerWaalsContact O-N 3.13Å; S332-R334 VanDerWaalsContact C-N 3.3Å; S332-R334 PolarHBondContact O-N 3.34Å; S332-L335 WeakPolarHBondContact O-CB 3.24Å; S332-L335 PolarHBondContact O-N 3.34Å; S332-E336 WeakPolarHBondContact O-CG 3.48Å; S332-E336 PolarHBondContact O-N 3.28Å; S332-E336 PolarHBondContact OG-OE1 3.19Å
333V97.2Very high96.9Very high80 Ų8094.4 Ų94.449%0.48548%0.481SS..Hα-helixtrans-59.7-40.7179.5174.60000111.1E329 L335 E336 C337E329-V333 WeakPolarHBondContact O-CG2 3.35Å; E329-V333 PolarHBondContact O-N 2.81Å; V333-L335 PolarHBondContact O-N 2.75Å; V333-E336 PolarHBondContact O-N 2.93Å; V333-C337 WeakPolarHBondContact O-CB 3.4Å; V333-C337 PolarHBondContact O-N 3.02Å; V333-C337 PolarHBondContact O-SG 3.4Å
334R97.3Very high96.8Very high177 Ų17794.6 Ų94.667%0.66849%0.485SS*.Hα-helixtrans-62.1-42.4174.1-76.8170.7-179.1-173.80.6112.5L330 A331 S332 C337 V338L330-R334 WeakPolarHBondContact O-CB 3.34Å; L330-R334 WeakPolarHBondContact O-CD 3.46Å; L330-R334 WeakPolarHBondContact O-CG 3.47Å; L330-R334 PolarHBondContact O-N 3.04Å; L330-R334 VanDerWaalsContact O-N 3.08Å; A331-R334 PolarHBondContact O-N 2.92Å; S332-R334 VanDerWaalsContact C-N 3.3Å; S332-R334 PolarHBondContact O-N 3.34Å; R334-C337 PolarHBondContact O-N 2.87Å; R334-V338 VanDerWaalsContact O-CG2 3.32Å; R334-V338 WeakPolarHBondContact O-CG2 3.41Å; R334-V338 PolarHBondContact O-N 3.49Å
335L97Very high96.6Very high99 Ų9992.3 Ų92.352%0.51848%0.475SS..Hα-helixtrans-65.7-39.9176.5-72.1170.5000111.6A331 S332 V333 V338 R339A331-L335 VanDerWaalsContact O-CG 3.32Å; A331-L335 WeakPolarHBondContact O-CG 3.28Å; A331-L335 PolarHBondContact O-N 2.88Å; S332-L335 WeakPolarHBondContact O-CB 3.24Å; S332-L335 PolarHBondContact O-N 3.34Å; V333-L335 PolarHBondContact O-N 2.75Å; L335-V338 PolarHBondContact O-N 2.9Å; L335-R339 VanDerWaalsContact O-CG 3.28Å; L335-R339 WeakPolarHBondContact O-CG 3.37Å; L335-R339 PolarHBondContact O-N 2.85Å
336E96.8Very high96.6Very high97 Ų9796.8 Ų96.845%0.45348%0.483SS..Hα-helixtrans-64.2-44.9175.1-73.2160.4-143.900111.9S332 V333 V338 R339 S340S332-E336 WeakPolarHBondContact O-CG 3.48Å; S332-E336 PolarHBondContact O-N 3.28Å; S332-E336 PolarHBondContact OG-OE1 3.19Å; V333-E336 PolarHBondContact O-N 2.93Å; E336-V338 VanDerWaalsContact C-N 3.33Å; E336-V338 PolarHBondContact O-N 3.35Å; E336-R339 PolarHBondContact O-N 3.43Å; E336-S340 WeakPolarHBondContact O-CB 3.32Å; E336-S340 PolarHBondContact O-N 3.49Å
337C94.6Very high96.6Very high79 Ų7997.1 Ų97.153%0.53449%0.485SS..Hα-helixtrans-59.9-41.3173.5-68.60000112.4V333 R334 K341V333-C337 WeakPolarHBondContact O-CB 3.4Å; V333-C337 PolarHBondContact O-N 3.02Å; V333-C337 PolarHBondContact O-SG 3.4Å; R334-C337 PolarHBondContact O-N 2.87Å; C337-K341 VanDerWaalsContact O-CB 3.32Å; C337-K341 WeakPolarHBondContact O-CB 3.39Å; C337-K341 PolarHBondContact O-N 2.84Å
338V97.4Very high96.5Very high103 Ų10396.3 Ų96.362%0.62448%0.478SS*.Hα-helixtrans-67.3-40.7176.9169.60000111.6R334 L335 E336 G342R334-V338 VanDerWaalsContact O-CG2 3.32Å; R334-V338 WeakPolarHBondContact O-CG2 3.41Å; R334-V338 PolarHBondContact O-N 3.49Å; L335-V338 PolarHBondContact O-N 2.9Å; E336-V338 VanDerWaalsContact C-N 3.33Å; E336-V338 PolarHBondContact O-N 3.35Å; V338-G342 PolarHBondContact O-N 2.79Å
339R97.4Very high96.5Very high160 Ų16095.6 Ų95.660%0.60447%0.474SS*.Hα-helixtrans-60.9-55.7174.3-72.4171.7-166.4176.26.6110.9L335 E336 K341 G342 D343L335-R339 VanDerWaalsContact O-CG 3.28Å; L335-R339 WeakPolarHBondContact O-CG 3.37Å; L335-R339 PolarHBondContact O-N 2.85Å; E336-R339 PolarHBondContact O-N 3.43Å; R339-K341 VanDerWaalsContact C-N 3.3Å; R339-K341 PolarHBondContact O-N 3.48Å; R339-G342 CarbonylContact O-C 3.56Å; R339-G342 WeakPolarHBondContact O-CA 3.45Å; R339-G342 PolarHBondContact O-N 3.01Å; R339-D343 PolarHBondContact O-N 2.86Å
340S96.1Very high96.6Very high66 Ų6695 Ų9546%0.46248%0.477SS..Hα-helixtrans-57-41.5179.6173.20000112.1E336 G342 D343 M344E336-S340 WeakPolarHBondContact O-CB 3.32Å; E336-S340 PolarHBondContact O-N 3.49Å; S340-G342 PolarHBondContact O-N 3.27Å; S340-D343 PolarHBondContact O-N 2.89Å; S340-M344 WeakPolarHBondContact O-CG 3.48Å; S340-M344 PolarHBondContact O-N 3.4Å
341K96.1Very high96.5Very high131 Ų13196.6 Ų96.657%0.5749%0.486SS*.Hα-helixtrans-60.1-45.2173.1-171.7-177.8-175.1-101.60111.9C337 R339 D343 M344 E345C337-K341 VanDerWaalsContact O-CB 3.32Å; C337-K341 WeakPolarHBondContact O-CB 3.39Å; C337-K341 PolarHBondContact O-N 2.84Å; R339-K341 VanDerWaalsContact C-N 3.3Å; R339-K341 PolarHBondContact O-N 3.48Å; K341-D343 VanDerWaalsContact C-N 3.29Å; K341-D343 PolarHBondContact O-N 2.94Å; K341-M344 PolarHBondContact O-N 3.17Å; K341-E345 WeakPolarHBondContact CE-OE1 3.44Å; K341-E345 IonicContact NZ-OE1 2.71Å; K341-E345 PolarHBondContact NZ-OE1 2.88Å; K341-E345 WeakPolarHBondContact O-CB 3.33Å; K341-E345 VanDerWaalsContact O-CG 3.3Å; K341-E345 WeakPolarHBondContact O-CG 3.3Å; K341-E345 PolarHBondContact O-N 2.96Å
342G97.3Very high96.5Very high14 Ų1498.2 Ų98.214%0.14449%0.486CS..Hα-helixtrans-65-30.8176.200000113.5V338 R339 S340 R346V338-G342 PolarHBondContact O-N 2.79Å; R339-G342 CarbonylContact O-C 3.56Å; R339-G342 WeakPolarHBondContact O-CA 3.45Å; R339-G342 PolarHBondContact O-N 3.01Å; S340-G342 PolarHBondContact O-N 3.27Å; G342-R346 WeakPolarHBondContact O-CG 3.21Å; G342-R346 PolarHBondContact O-N 3.28Å; G342-R346 VanDerWaalsContact O-N 3.12Å; G342-R346 PolarHBondContact O-NH1 2.86Å
343D96.4Very high96.4Very high73 Ų7397.6 Ų97.639%0.3949%0.489SS..Hα-helixtrans-69-49.4173.8-56.5-30.1000110.5R339 S340 K341 E345 R346 E347R339-D343 PolarHBondContact O-N 2.86Å; S340-D343 PolarHBondContact O-N 2.89Å; K341-D343 VanDerWaalsContact C-N 3.29Å; K341-D343 PolarHBondContact O-N 2.94Å; D343-E345 VanDerWaalsContact C-N 3.31Å; D343-E345 PolarHBondContact O-N 3.1Å; D343-R346 PolarHBondContact O-N 3.47Å; D343-R346 VanDerWaalsContact O-N 3.13Å; D343-R346 IonicContact OD1-CZ 3.64Å; D343-R346 IonicContact OD1-NH1 2.96Å; D343-R346 PolarHBondContact OD1-NH1 3.47Å; D343-R346 IonicContact OD1-NH2 3.88Å; D343-E347 PolarHBondContact O-N 2.82Å
344M94.4Very high96.4Very high114 Ų11499.5 Ų99.556%0.56249%0.492SS*.Hα-helixtrans-60.5-35.4174-64.6-60.1-54.900113.1S340 K341 E347 R348S340-M344 WeakPolarHBondContact O-CG 3.48Å; S340-M344 PolarHBondContact O-N 3.4Å; K341-M344 PolarHBondContact O-N 3.17Å; M344-E347 PolarHBondContact O-N 3.03Å; M344-R348 WeakPolarHBondContact O-CB 3.21Å; M344-R348 PolarHBondContact O-N 2.73Å
345E94.7Very high96.3Very high68 Ų6895.8 Ų95.832%0.31848%0.484SS..Hα-helixtrans-66.6-40.5174.8-76.7174.1172.600111.4K341 D343 R348 D349K341-E345 WeakPolarHBondContact CE-OE1 3.44Å; K341-E345 IonicContact NZ-OE1 2.71Å; K341-E345 PolarHBondContact NZ-OE1 2.88Å; K341-E345 WeakPolarHBondContact O-CB 3.33Å; K341-E345 VanDerWaalsContact O-CG 3.3Å; K341-E345 WeakPolarHBondContact O-CG 3.3Å; K341-E345 PolarHBondContact O-N 2.96Å; D343-E345 VanDerWaalsContact C-N 3.31Å; D343-E345 PolarHBondContact O-N 3.1Å; E345-R348 WeakPolarHBondContact O-CB 3.28Å; E345-R348 PolarHBondContact O-N 2.87Å; E345-D349 PolarHBondContact O-N 3.38Å
346R97Very high96.2Very high147 Ų14795 Ų9556%0.55548%0.48SS*.Hα-helixtrans-67.8-38.1174.1-72-176.4-124.296.83.3112.3G342 D343 D349 T350G342-R346 WeakPolarHBondContact O-CG 3.21Å; G342-R346 PolarHBondContact O-N 3.28Å; G342-R346 VanDerWaalsContact O-N 3.12Å; G342-R346 PolarHBondContact O-NH1 2.86Å; D343-R346 PolarHBondContact O-N 3.47Å; D343-R346 VanDerWaalsContact O-N 3.13Å; D343-R346 IonicContact OD1-CZ 3.64Å; D343-R346 IonicContact OD1-NH1 2.96Å; D343-R346 PolarHBondContact OD1-NH1 3.47Å; D343-R346 IonicContact OD1-NH2 3.88Å; R346-D349 PolarHBondContact O-N 2.97Å; R346-T350 WeakPolarHBondContact O-CG2 3.37Å; R346-T350 PolarHBondContact O-N 3.14Å; R346-T350 PolarHBondContact O-OG1 2.9Å
347E96.4Very high96.2Very high108 Ų10892 Ų9251%0.50548%0.475SS..Hα-helixtrans-65.3-39.4173.7-72.4-17817800112.4D343 M344 D349 T350 L351D343-E347 PolarHBondContact O-N 2.82Å; M344-E347 PolarHBondContact O-N 3.03Å; E347-D349 VanDerWaalsContact C-N 3.33Å; E347-T350 WeakPolarHBondContact CA-OG1 3.3Å; E347-T350 PolarHBondContact O-OG1 3.16Å; E347-L351 WeakPolarHBondContact O-CB 3.49Å; E347-L351 VanDerWaalsContact O-CG 3.24Å; E347-L351 WeakPolarHBondContact O-CG 3.5Å; E347-L351 PolarHBondContact O-N 3.23Å
348R96.4Very high96.2Very high131 Ų13193.8 Ų93.849%0.49448%0.478SS..Hα-helixtrans-58.9-46.8170.3177.2-155.564.3-140.8-8.7110.7M344 E345 L351 Q352M344-R348 WeakPolarHBondContact O-CB 3.21Å; M344-R348 PolarHBondContact O-N 2.73Å; E345-R348 WeakPolarHBondContact O-CB 3.28Å; E345-R348 PolarHBondContact O-N 2.87Å; R348-L351 PolarHBondContact O-N 3.32Å; R348-Q352 WeakPolarHBondContact O-CB 3.4Å; R348-Q352 PolarHBondContact O-N 3.49Å
349D97.3Very high96.1Very high87 Ų8793.9 Ų93.947%0.46547%0.472SS..Hα-helixtrans-69.7-34.1-175.5-65.1-16000112.2E345 R346 E347 G353E345-D349 PolarHBondContact O-N 3.38Å; R346-D349 PolarHBondContact O-N 2.97Å; E347-D349 VanDerWaalsContact C-N 3.33Å; D349-G353 PolarHBondContact O-N 2.9Å
350T97.3Very high96.1Very high86 Ų8688.6 Ų88.653%0.52846%0.463SS..Hα-helixtrans-69.5-40.5171.555.30000112.3R346 E347 G353 Q354R346-T350 WeakPolarHBondContact O-CG2 3.37Å; R346-T350 PolarHBondContact O-N 3.14Å; R346-T350 PolarHBondContact O-OG1 2.9Å; E347-T350 WeakPolarHBondContact CA-OG1 3.3Å; E347-T350 PolarHBondContact O-OG1 3.16Å; T350-G353 PolarHBondContact O-N 3.35Å; T350-Q354 WeakPolarHBondContact O-CG 3.34Å; T350-Q354 PolarHBondContact O-N 3.41Å
351L95.2Very high96Very high106 Ų10690.1 Ų90.156%0.55547%0.466SS*.Hα-helixtrans-65.1-37.3174.1-72.4171.7000112.1E347 R348 Q354 M355E347-L351 WeakPolarHBondContact O-CB 3.49Å; E347-L351 VanDerWaalsContact O-CG 3.24Å; E347-L351 WeakPolarHBondContact O-CG 3.5Å; E347-L351 PolarHBondContact O-N 3.23Å; R348-L351 PolarHBondContact O-N 3.32Å; L351-Q354 PolarHBondContact O-N 2.81Å; L351-M355 WeakPolarHBondContact O-CB 3.42Å; L351-M355 PolarHBondContact O-N 3.4Å
352Q96.3Very high95.9Very high80 Ų8087.1 Ų87.137%0.37446%0.458SS..Hα-helixtrans-64.5-47.1173.9-17262.752.600110.8R348 Q354 M355 D356R348-Q352 WeakPolarHBondContact O-CB 3.4Å; R348-Q352 PolarHBondContact O-N 3.49Å; Q352-Q354 VanDerWaalsContact C-N 3.26Å; Q352-Q354 PolarHBondContact O-N 2.78Å; Q352-M355 WeakPolarHBondContact O-CA 3.38Å; Q352-M355 WeakPolarHBondContact O-CB 3.42Å; Q352-M355 PolarHBondContact O-N 2.97Å; Q352-D356 PolarHBondContact NE2-OD1 3.22Å; Q352-D356 PolarHBondContact O-N 2.94Å
353G95.9Very high95.9Very high44 Ų4491.6 Ų91.645%0.45448%0.475SS..Hα-helixtrans-60.3-33.6175.500000113.6D349 T350 G357D349-G353 PolarHBondContact O-N 2.9Å; T350-G353 PolarHBondContact O-N 3.35Å; G353-G357 PolarHBondContact O-N 3.21Å; G353-G357 VanDerWaalsContact O-N 3.08Å
354Q96.7Very high95.8Very high119 Ų11992.8 Ų92.856%0.55649%0.485SS*.Hα-helixtrans-68.1-41.4171-72.8174.64.800112.3T350 L351 Q352 G357 L358T350-Q354 WeakPolarHBondContact O-CG 3.34Å; T350-Q354 PolarHBondContact O-N 3.41Å; L351-Q354 PolarHBondContact O-N 2.81Å; Q352-Q354 VanDerWaalsContact C-N 3.26Å; Q352-Q354 PolarHBondContact O-N 2.78Å; Q354-G357 PolarHBondContact O-N 2.94Å; Q354-L358 WeakPolarHBondContact O-CB 3.44Å; Q354-L358 WeakPolarHBondContact O-CG 3.49Å; Q354-L358 PolarHBondContact O-N 3.39Å
355M95Very high95.8Very high100 Ų10093.1 Ų93.149%0.49349%0.488SS..Hα-helixtrans-62.1-47.5176.5-166.2-164.8-38.800111.5L351 Q352 G357 L358 Q359L351-M355 WeakPolarHBondContact O-CB 3.42Å; L351-M355 PolarHBondContact O-N 3.4Å; Q352-M355 WeakPolarHBondContact O-CA 3.38Å; Q352-M355 WeakPolarHBondContact O-CB 3.42Å; Q352-M355 PolarHBondContact O-N 2.97Å; M355-G357 VanDerWaalsContact C-N 3.34Å; M355-G357 PolarHBondContact O-N 2.97Å; M355-L358 PolarHBondContact O-N 3.45Å; M355-Q359 WeakPolarHBondContact O-CB 3.17Å; M355-Q359 PolarHBondContact O-N 3.41Å
356D96.1Very high95.8Very high83 Ų8395.8 Ų95.844%0.44450%0.499SS..Hα-helixtrans-63.1-41179.2-61.4-17.3000110.9Q352 Q359 A360Q352-D356 PolarHBondContact NE2-OD1 3.22Å; Q352-D356 PolarHBondContact O-N 2.94Å; D356-Q359 PolarHBondContact O-N 2.91Å; D356-A360 PolarHBondContact O-N 3.1Å
357G96.6Very high95.6Very high34 Ų3490.7 Ų90.735%0.35149%0.488SS..Hα-helixtrans-61.4-49173.700000112.8G353 Q354 M355 Q359 A360 D361G353-G357 PolarHBondContact O-N 3.21Å; G353-G357 VanDerWaalsContact O-N 3.08Å; Q354-G357 PolarHBondContact O-N 2.94Å; M355-G357 VanDerWaalsContact C-N 3.34Å; M355-G357 PolarHBondContact O-N 2.97Å; G357-Q359 VanDerWaalsContact C-N 3.28Å; G357-Q359 PolarHBondContact O-N 3.42Å; G357-A360 PolarHBondContact O-N 3.11Å; G357-D361 PolarHBondContact O-N 2.94Å
358L95Very high95.5Very high115 Ų11587.3 Ų87.360%0.60248%0.479SS*.Hα-helixtrans-63.2-34.2175.7-72.6171.8000112.4Q354 M355 D361 V362Q354-L358 WeakPolarHBondContact O-CB 3.44Å; Q354-L358 WeakPolarHBondContact O-CG 3.49Å; Q354-L358 PolarHBondContact O-N 3.39Å; M355-L358 PolarHBondContact O-N 3.45Å; L358-D361 PolarHBondContact O-N 2.92Å; L358-V362 VanDerWaalsContact O-CG2 3.31Å; L358-V362 WeakPolarHBondContact O-CG2 3.36Å; L358-V362 PolarHBondContact O-N 3.33Å
359Q95.6Very high95.4Very high106 Ų10685.6 Ų85.650%0.49548%0.479SS..Hα-helixtrans-67-44.3175.2-176.1175.6-31.600111.2M355 D356 G357 D361 V362 E363M355-Q359 WeakPolarHBondContact O-CB 3.17Å; M355-Q359 PolarHBondContact O-N 3.41Å; D356-Q359 PolarHBondContact O-N 2.91Å; G357-Q359 VanDerWaalsContact C-N 3.28Å; G357-Q359 PolarHBondContact O-N 3.42Å; Q359-D361 VanDerWaalsContact C-N 3.35Å; Q359-D361 PolarHBondContact O-N 2.9Å; Q359-V362 PolarHBondContact O-N 2.75Å; Q359-E363 PolarHBondContact NE2-OE1 3.42Å; Q359-E363 WeakPolarHBondContact O-CG 3.45Å; Q359-E363 PolarHBondContact O-N 3.02Å
360A95.4Very high95.2Very high49 Ų4985.8 Ų85.841%0.40548%0.477SS..Hα-helixtrans-60.2-43174.200000111.8D356 G357 V362 E363 V364D356-A360 PolarHBondContact O-N 3.1Å; G357-A360 PolarHBondContact O-N 3.11Å; A360-V362 VanDerWaalsContact C-N 3.34Å; A360-V362 PolarHBondContact O-N 2.8Å; A360-E363 PolarHBondContact O-N 2.98Å; A360-V364 WeakPolarHBondContact O-CG2 3.35Å; A360-V364 PolarHBondContact O-N 2.99Å
361D95.9Very high95.1Very high98 Ų9888.8 Ų88.852%0.52448%0.479SS..Hα-helixtrans-59.8-43.1174.1-76-23.7000111.8G357 L358 Q359 E363 V364 L365G357-D361 PolarHBondContact O-N 2.94Å; L358-D361 PolarHBondContact O-N 2.92Å; Q359-D361 VanDerWaalsContact C-N 3.35Å; Q359-D361 PolarHBondContact O-N 2.9Å; D361-E363 VanDerWaalsContact C-N 3.35Å; D361-E363 PolarHBondContact O-N 3.35Å; D361-V364 PolarHBondContact O-N 2.92Å; D361-L365 WeakPolarHBondContact O-CB 3.34Å; D361-L365 VanDerWaalsContact O-CG 3.26Å; D361-L365 WeakPolarHBondContact O-CG 3.5Å; D361-L365 PolarHBondContact O-N 3.27Å
362V93.9Very high95Very high68 Ų6888.6 Ų88.641%0.41248%0.478SS..Hα-helixtrans-63.7-38.6175.6165.60000111.8L358 Q359 A360 K366L358-V362 VanDerWaalsContact O-CG2 3.31Å; L358-V362 WeakPolarHBondContact O-CG2 3.36Å; L358-V362 PolarHBondContact O-N 3.33Å; Q359-V362 PolarHBondContact O-N 2.75Å; A360-V362 VanDerWaalsContact C-N 3.34Å; A360-V362 PolarHBondContact O-N 2.8Å; V362-K366 HydrophobicContact CG1-CD 4.07Å; V362-K366 WeakPolarHBondContact O-CB 3.48Å; V362-K366 VanDerWaalsContact O-CG 3.23Å; V362-K366 WeakPolarHBondContact O-CG 3.42Å; V362-K366 PolarHBondContact O-N 3.01Å
363E95.6Very high94.9Very high108 Ų10889.1 Ų89.151%0.50548%0.479SS..Hα-helixtrans-67.4-42.1175.6-73174.3-162.800111.8Q359 A360 D361 K366 A367Q359-E363 PolarHBondContact NE2-OE1 3.42Å; Q359-E363 WeakPolarHBondContact O-CG 3.45Å; Q359-E363 PolarHBondContact O-N 3.02Å; A360-E363 PolarHBondContact O-N 2.98Å; D361-E363 VanDerWaalsContact C-N 3.35Å; D361-E363 PolarHBondContact O-N 3.35Å; E363-K366 PolarHBondContact O-N 3.46Å; E363-A367 WeakPolarHBondContact O-CB 3.34Å; E363-A367 PolarHBondContact O-N 2.91Å
364V95.7Very high94.8Very high98 Ų9892.7 Ų92.759%0.59448%0.484SS*.Hα-helixtrans-61.7-45.4173.1170.60000111.1A360 D361 A367 A368A360-V364 WeakPolarHBondContact O-CG2 3.35Å; A360-V364 PolarHBondContact O-N 2.99Å; D361-V364 PolarHBondContact O-N 2.92Å; V364-A367 PolarHBondContact O-N 3.13Å; V364-A368 WeakPolarHBondContact O-CB 3.49Å; V364-A368 PolarHBondContact O-N 3.5Å
365L93.8Very high94.7Very high120 Ų12090.6 Ų90.663%0.62848%0.479SS*.Hα-helixtrans-65.2-40.1177.8-73.8172.2000112.4D361 A368 L369D361-L365 WeakPolarHBondContact O-CB 3.34Å; D361-L365 VanDerWaalsContact O-CG 3.26Å; D361-L365 WeakPolarHBondContact O-CG 3.5Å; D361-L365 PolarHBondContact O-N 3.27Å; L365-A368 PolarHBondContact O-N 3.4Å; L365-L369 WeakPolarHBondContact O-CB 3.46Å; L365-L369 PolarHBondContact O-N 3.22Å
366K94.6Very high94.5Very high125 Ų12591 Ų9154%0.54348%0.483SS..Hα-helixtrans-60.5-47.6171.2-76.4166.9-179170.20111V362 E363 A368 L369 E370V362-K366 HydrophobicContact CG1-CD 4.07Å; V362-K366 WeakPolarHBondContact O-CB 3.48Å; V362-K366 VanDerWaalsContact O-CG 3.23Å; V362-K366 WeakPolarHBondContact O-CG 3.42Å; V362-K366 PolarHBondContact O-N 3.01Å; E363-K366 PolarHBondContact O-N 3.46Å; K366-A368 VanDerWaalsContact C-N 3.28Å; K366-A368 PolarHBondContact O-N 2.97Å; K366-L369 WeakPolarHBondContact O-CB 3.46Å; K366-L369 PolarHBondContact O-N 2.91Å; K366-L369 VanDerWaalsContact O-N 3.14Å; K366-E370 PolarHBondContact O-N 3.39Å
367A93.9Very high94.4Very high39 Ų3990.8 Ų90.832%0.32248%0.481SS..Hα-helixtrans-66.3-29.4178.800000112.7E363 V364 R371E363-A367 WeakPolarHBondContact O-CB 3.34Å; E363-A367 PolarHBondContact O-N 2.91Å; V364-A367 PolarHBondContact O-N 3.13Å; A367-R371 VanDerWaalsContact O-CG 3.29Å; A367-R371 WeakPolarHBondContact O-CG 3.38Å; A367-R371 PolarHBondContact O-N 2.9Å; A367-R371 PolarHBondContact O-NH1 2.89Å
368A94.3Very high94.2Very high38 Ų3894.1 Ų94.131%0.31449%0.488SS..Hα-helixtrans-71.6-40.1170.800000111.7V364 L365 K366 N372V364-A368 WeakPolarHBondContact O-CB 3.49Å; V364-A368 PolarHBondContact O-N 3.5Å; L365-A368 PolarHBondContact O-N 3.4Å; K366-A368 VanDerWaalsContact C-N 3.28Å; K366-A368 PolarHBondContact O-N 2.97Å; A368-N372 WeakPolarHBondContact O-CB 3.41Å; A368-N372 VanDerWaalsContact O-CG 3.24Å; A368-N372 PolarHBondContact O-N 3.44Å; A368-N372 PolarHBondContact O-ND2 2.92Å
369L93.3Very high94.1Very high94 Ų9493.6 Ų93.649%0.49248%0.48SS..Hα-helixtrans-61.7-47.3175.3-17673.2000111.9L365 K366 N372 K373L365-L369 WeakPolarHBondContact O-CB 3.46Å; L365-L369 PolarHBondContact O-N 3.22Å; K366-L369 WeakPolarHBondContact O-CB 3.46Å; K366-L369 PolarHBondContact O-N 2.91Å; K366-L369 VanDerWaalsContact O-N 3.14Å; L369-N372 PolarHBondContact O-N 3.04Å; L369-K373 WeakPolarHBondContact O-CG 3.4Å; L369-K373 PolarHBondContact O-N 3.37Å
370E94.3Very high93.9Very high91 Ų9194.1 Ų94.143%0.42548%0.483SS..Hα-helixtrans-63.4-44.6178.4-62-43.6127.400111.8K366 N372 K373 E374K366-E370 PolarHBondContact O-N 3.39Å; E370-N372 VanDerWaalsContact C-N 3.3Å; E370-N372 PolarHBondContact O-N 3.34Å; E370-K373 WeakPolarHBondContact O-CB 3.34Å; E370-K373 PolarHBondContact O-N 3.36Å; E370-K373 VanDerWaalsContact O-N 3.1Å; E370-K373 IonicContact OE1-NZ 3.22Å; E370-K373 PolarHBondContact OE1-NZ 3.15Å; E370-K373 VanDerWaalsContact OE2-CD 3.26Å; E370-K373 WeakPolarHBondContact OE2-CD 3.48Å; E370-K373 IonicContact OE2-NZ 3.69Å; E370-K373 PolarHBondContact OE2-NZ 2.74Å; E370-E374 WeakPolarHBondContact O-CG 3.41Å; E370-E374 PolarHBondContact O-N 2.9Å
371R94.6Very high93.8Very high150 Ų15098.2 Ų98.257%0.56649%0.488SS*.Hα-helixtrans-58.1-41.2173.1-71.8178.2-168.6101.6-7.4112.4A367 E374 V375A367-R371 VanDerWaalsContact O-CG 3.29Å; A367-R371 WeakPolarHBondContact O-CG 3.38Å; A367-R371 PolarHBondContact O-N 2.9Å; A367-R371 PolarHBondContact O-NH1 2.89Å; R371-E374 PolarHBondContact O-N 3.06Å; R371-V375 WeakPolarHBondContact O-CG2 3.29Å; R371-V375 PolarHBondContact O-N 3.44Å
372N93.5Very high93.5Very high102 Ų10296.8 Ų96.855%0.54548%0.478SS..Hα-helixtrans-66-36.8176.6-74.2-24.4000112.1A368 L369 E370 L376A368-N372 WeakPolarHBondContact O-CB 3.41Å; A368-N372 VanDerWaalsContact O-CG 3.24Å; A368-N372 PolarHBondContact O-N 3.44Å; A368-N372 PolarHBondContact O-ND2 2.92Å; L369-N372 PolarHBondContact O-N 3.04Å; E370-N372 VanDerWaalsContact C-N 3.3Å; E370-N372 PolarHBondContact O-N 3.34Å; N372-L376 WeakPolarHBondContact O-CB 3.28Å; N372-L376 VanDerWaalsContact O-CG 3.28Å; N372-L376 WeakPolarHBondContact O-CG 3.44Å; N372-L376 PolarHBondContact O-N 2.89Å
373K94Very high93.2Very high91 Ų9198.9 Ų98.940%0.39649%0.485SS..Hα-helixtrans-64.6-43.7172-70167.9179.8171.20111.7L369 E370 L376 L377L369-K373 WeakPolarHBondContact O-CG 3.4Å; L369-K373 PolarHBondContact O-N 3.37Å; E370-K373 WeakPolarHBondContact O-CB 3.34Å; E370-K373 PolarHBondContact O-N 3.36Å; E370-K373 VanDerWaalsContact O-N 3.1Å; E370-K373 IonicContact OE1-NZ 3.22Å; E370-K373 PolarHBondContact OE1-NZ 3.15Å; E370-K373 VanDerWaalsContact OE2-CD 3.26Å; E370-K373 WeakPolarHBondContact OE2-CD 3.48Å; E370-K373 IonicContact OE2-NZ 3.69Å; E370-K373 PolarHBondContact OE2-NZ 2.74Å; K373-L376 PolarHBondContact O-N 2.91Å; K373-L377 WeakPolarHBondContact O-CG 3.24Å; K373-L377 PolarHBondContact O-N 3.41Å
374E93.9Very high93Very high119 Ų11997.6 Ų97.656%0.55648%0.484SS*.Hα-helixtrans-58.4-48.7176.1-71173.3155.500110.9E370 R371 L376 L377 E378E370-E374 WeakPolarHBondContact O-CG 3.41Å; E370-E374 PolarHBondContact O-N 2.9Å; R371-E374 PolarHBondContact O-N 3.06Å; E374-L376 VanDerWaalsContact C-N 3.33Å; E374-L376 PolarHBondContact O-N 2.97Å; E374-L377 PolarHBondContact O-N 3.09Å; E374-E378 WeakPolarHBondContact O-CG 3.42Å; E374-E378 PolarHBondContact O-N 3.23Å
375V93.9Very high92.9Very high74 Ų74100 Ų10045%0.44848%0.482SS..Hα-helixtrans-60.4-39.9175.6170.90000111.9R371 E378 K379R371-V375 WeakPolarHBondContact O-CG2 3.29Å; R371-V375 PolarHBondContact O-N 3.44Å; V375-E378 PolarHBondContact O-N 3.45Å; V375-K379 VanDerWaalsContact O-CG 3.28Å; V375-K379 WeakPolarHBondContact O-CG 3.45Å; V375-K379 PolarHBondContact O-N 3.33Å
376L91.6Very high92.7Very high109 Ų109100 Ų10057%0.57148%0.478SS*.Hα-helixtrans-64.1-46174.7-75.4169.9000111.7N372 K373 E374 E378 K379 E380N372-L376 WeakPolarHBondContact O-CB 3.28Å; N372-L376 VanDerWaalsContact O-CG 3.28Å; N372-L376 WeakPolarHBondContact O-CG 3.44Å; N372-L376 PolarHBondContact O-N 2.89Å; K373-L376 PolarHBondContact O-N 2.91Å; E374-L376 VanDerWaalsContact C-N 3.33Å; E374-L376 PolarHBondContact O-N 2.97Å; L376-E378 VanDerWaalsContact C-N 3.31Å; L376-E378 PolarHBondContact O-N 3.49Å; L376-K379 CarbonylContact O-C 3.57Å; L376-K379 PolarHBondContact O-N 2.98Å; L376-K379 VanDerWaalsContact O-N 3.15Å; L376-E380 WeakPolarHBondContact O-CG 3.33Å; L376-E380 PolarHBondContact O-N 3.43Å
377L93.8Very high92.6Very high79 Ų7997.4 Ų97.441%0.41447%0.472SS..Hα-helixtrans-62.8-36.2175.8-69.8170.7000112K373 E374 R381K373-L377 WeakPolarHBondContact O-CG 3.24Å; K373-L377 PolarHBondContact O-N 3.41Å; E374-L377 PolarHBondContact O-N 3.09Å; L377-R381 WeakPolarHBondContact O-CB 3.5Å; L377-R381 VanDerWaalsContact O-CD 3.31Å; L377-R381 WeakPolarHBondContact O-CD 3.5Å; L377-R381 WeakPolarHBondContact O-CG 3.31Å; L377-R381 PolarHBondContact O-N 3.11Å
378E92.1Very high92.2Very high104 Ų104100.1 Ų100.149%0.48648%0.478SS..Hα-helixtrans-64.7-43172.1-74.7-178.4164.800112E374 V375 L376 R381 E382E374-E378 WeakPolarHBondContact O-CG 3.42Å; E374-E378 PolarHBondContact O-N 3.23Å; V375-E378 PolarHBondContact O-N 3.45Å; L376-E378 VanDerWaalsContact C-N 3.31Å; L376-E378 PolarHBondContact O-N 3.49Å; E378-R381 PolarHBondContact O-N 2.94Å; E378-E382 WeakPolarHBondContact O-CG 3.37Å; E378-E382 PolarHBondContact O-N 3.48Å
379K92.6Very high91.9Very high103 Ų103100.6 Ų100.645%0.44848%0.479SS..Hα-helixtrans-66.2-39175.3-69.2-70.2161.2-132.50112.3V375 L376 E382 M383V375-K379 VanDerWaalsContact O-CG 3.28Å; V375-K379 WeakPolarHBondContact O-CG 3.45Å; V375-K379 PolarHBondContact O-N 3.33Å; L376-K379 CarbonylContact O-C 3.57Å; L376-K379 PolarHBondContact O-N 2.98Å; L376-K379 VanDerWaalsContact O-N 3.15Å; K379-E382 IonicContact NZ-OE1 2.75Å; K379-E382 PolarHBondContact NZ-OE1 2.91Å; K379-E382 IonicContact NZ-OE2 3.17Å; K379-E382 PolarHBondContact NZ-OE2 3.18Å; K379-E382 PolarHBondContact O-N 2.98Å; K379-M383 WeakPolarHBondContact O-CB 3.2Å; K379-M383 VanDerWaalsContact O-CG 3.25Å; K379-M383 WeakPolarHBondContact O-CG 3.44Å; K379-M383 PolarHBondContact O-N 3Å
380E91.3Very high91.6Very high118 Ų11898.2 Ų98.255%0.55147%0.473SS*.Hα-helixtrans-59.9-47.4171-73.9176.6179.400111.1L376 E382 M383 V384L376-E380 WeakPolarHBondContact O-CG 3.33Å; L376-E380 PolarHBondContact O-N 3.43Å; E380-E382 PolarHBondContact O-N 2.9Å; E380-M383 PolarHBondContact O-N 2.73Å; E380-V384 WeakPolarHBondContact O-CG2 3.3Å; E380-V384 PolarHBondContact O-N 2.72Å
381R92.8Very high91.2Very high135 Ų135101.5 Ų101.551%0.50948%0.481SS..Hα-helixtrans-61.6-41.1175.4-68.3160.3-174.9166.91112.3L377 E378 R385L377-R381 WeakPolarHBondContact O-CB 3.5Å; L377-R381 VanDerWaalsContact O-CD 3.31Å; L377-R381 WeakPolarHBondContact O-CD 3.5Å; L377-R381 WeakPolarHBondContact O-CG 3.31Å; L377-R381 PolarHBondContact O-N 3.11Å; E378-R381 PolarHBondContact O-N 2.94Å; R381-R385 VanDerWaalsContact O-CG 3.32Å; R381-R385 WeakPolarHBondContact O-CG 3.39Å; R381-R385 PolarHBondContact O-N 3.26Å; R381-R385 PolarHBondContact O-NH1 3.2Å
382E90.9Very high90.8Very high67 Ų6799.7 Ų99.731%0.31348%0.479SS..Hα-helixtrans-61.1-44.7173.1-78.3176.9-157.500112.1E378 K379 E380 R385 K386E378-E382 WeakPolarHBondContact O-CG 3.37Å; E378-E382 PolarHBondContact O-N 3.48Å; K379-E382 IonicContact NZ-OE1 2.75Å; K379-E382 PolarHBondContact NZ-OE1 2.91Å; K379-E382 IonicContact NZ-OE2 3.17Å; K379-E382 PolarHBondContact NZ-OE2 3.18Å; K379-E382 PolarHBondContact O-N 2.98Å; E380-E382 PolarHBondContact O-N 2.9Å; E382-R385 PolarHBondContact O-N 3.45Å; E382-K386 WeakPolarHBondContact O-CG 3.36Å; E382-K386 PolarHBondContact O-N 3.31Å
383M87.9Confident90.5Very high113 Ų11399.9 Ų99.956%0.55748%0.477SS*.Hα-helixtrans-66.1-40.5178.3-71.2-62-68.800111.6K379 E380 K386 V387K379-M383 WeakPolarHBondContact O-CB 3.2Å; K379-M383 VanDerWaalsContact O-CG 3.25Å; K379-M383 WeakPolarHBondContact O-CG 3.44Å; K379-M383 PolarHBondContact O-N 3Å; E380-M383 PolarHBondContact O-N 2.73Å; M383-K386 PolarHBondContact O-N 2.97Å; M383-K386 HydrophobicContact SD-CD 4.25Å; M383-V387 WeakPolarHBondContact O-CG2 3.42Å; M383-V387 PolarHBondContact O-N 3.07Å
384V91.2Very high89.9Confident80 Ų80100.5 Ų100.549%0.48548%0.481SS..Hα-helixtrans-59.6-46.4172.4169.40000111E380 K386 V387 Q388E380-V384 WeakPolarHBondContact O-CG2 3.3Å; E380-V384 PolarHBondContact O-N 2.72Å; V384-K386 PolarHBondContact O-N 3.08Å; V384-V387 PolarHBondContact O-N 3.14Å; V384-Q388 HydrophobicContact CG1-CG 4.43Å; V384-Q388 WeakPolarHBondContact O-CB 3.47Å; V384-Q388 WeakPolarHBondContact O-CG 3.33Å; V384-Q388 PolarHBondContact O-N 3.36Å
385R92.5Very high89.5Confident148 Ų148101.2 Ų101.256%0.55848%0.483SS*.Hα-helixtrans-60.6-41.9176.2-71.1178.9-160.1108.3-9.3112.5R381 E382 Q388 S389R381-R385 VanDerWaalsContact O-CG 3.32Å; R381-R385 WeakPolarHBondContact O-CG 3.39Å; R381-R385 PolarHBondContact O-N 3.26Å; R381-R385 PolarHBondContact O-NH1 3.2Å; E382-R385 PolarHBondContact O-N 3.45Å; R385-Q388 PolarHBondContact O-N 3.03Å; R385-S389 PolarHBondContact O-N 3.01Å
386K90.9Very high89.1Confident122 Ų122104.1 Ų104.153%0.5349%0.491SS..Hα-helixtrans-64.2-38.3175.3-72.7171.4-179.9173.40112.7E382 M383 V384 S389 A390E382-K386 WeakPolarHBondContact O-CG 3.36Å; E382-K386 PolarHBondContact O-N 3.31Å; M383-K386 PolarHBondContact O-N 2.97Å; M383-K386 HydrophobicContact SD-CD 4.25Å; V384-K386 PolarHBondContact O-N 3.08Å; K386-S389 PolarHBondContact O-OG 3.48Å; K386-A390 VanDerWaalsContact O-CB 3.3Å; K386-A390 WeakPolarHBondContact O-CB 3.23Å; K386-A390 PolarHBondContact O-N 2.88Å
387V90.8Very high89Confident70 Ų70103.6 Ų103.642%0.42448%0.484SS..Hα-helixtrans-69.7-35.8174.9170.40000111.1M383 V384 R391M383-V387 WeakPolarHBondContact O-CG2 3.42Å; M383-V387 PolarHBondContact O-N 3.07Å; V384-V387 PolarHBondContact O-N 3.14Å; V387-R391 WeakPolarHBondContact O-CB 3.32Å; V387-R391 VanDerWaalsContact O-CG 3.23Å; V387-R391 WeakPolarHBondContact O-CG 3.49Å; V387-R391 PolarHBondContact O-N 3.36Å
388Q87.1Confident88.5Confident96 Ų96105 Ų10545%0.44949%0.49SS..Hα-helixtrans-66.5-49.7173.7-75.1171.1-3200111.5V384 R385 A390 R391 E392V384-Q388 HydrophobicContact CG1-CG 4.43Å; V384-Q388 WeakPolarHBondContact O-CB 3.47Å; V384-Q388 WeakPolarHBondContact O-CG 3.33Å; V384-Q388 PolarHBondContact O-N 3.36Å; R385-Q388 PolarHBondContact O-N 3.03Å; Q388-A390 VanDerWaalsContact C-N 3.34Å; Q388-A390 PolarHBondContact O-N 2.86Å; Q388-R391 WeakPolarHBondContact O-CB 3.34Å; Q388-R391 PolarHBondContact O-N 2.97Å; Q388-R391 VanDerWaalsContact O-N 3.09Å; Q388-E392 WeakPolarHBondContact O-CG 3.38Å; Q388-E392 PolarHBondContact O-N 3.41Å
389S88Confident88.1Confident48 Ų48102.4 Ų102.434%0.33649%0.486SS..Hα-helixtrans-61.5-41.9178.170.80000111.8R385 K386 R391 E392 E393R385-S389 PolarHBondContact O-N 3.01Å; K386-S389 PolarHBondContact O-OG 3.48Å; S389-R391 VanDerWaalsContact C-N 3.34Å; S389-R391 PolarHBondContact O-N 3.31Å; S389-E392 PolarHBondContact O-N 3.23Å; S389-E393 WeakPolarHBondContact O-CB 3.46Å; S389-E393 WeakPolarHBondContact O-CG 3.26Å; S389-E393 PolarHBondContact O-N 3.44Å
390A87.1Confident87.8Confident44 Ų44100.6 Ų100.636%0.36448%0.484SS..Hα-helixtrans-61.8-39.5174.200000112.4K386 Q388 E393 E394K386-A390 VanDerWaalsContact O-CB 3.3Å; K386-A390 WeakPolarHBondContact O-CB 3.23Å; K386-A390 PolarHBondContact O-N 2.88Å; Q388-A390 VanDerWaalsContact C-N 3.34Å; Q388-A390 PolarHBondContact O-N 2.86Å; A390-E393 PolarHBondContact O-N 3.4Å; A390-E394 WeakPolarHBondContact O-CG 3.48Å; A390-E394 PolarHBondContact O-N 3.14Å
391R84.7Confident87.4Confident160 Ų160100.1 Ų100.160%0.60449%0.485SS*.Hα-helixtrans-65.4-42173.5-75.7170.3179.7-172.10.9112V387 Q388 S389 E394 F395V387-R391 WeakPolarHBondContact O-CB 3.32Å; V387-R391 VanDerWaalsContact O-CG 3.23Å; V387-R391 WeakPolarHBondContact O-CG 3.49Å; V387-R391 PolarHBondContact O-N 3.36Å; Q388-R391 WeakPolarHBondContact O-CB 3.34Å; Q388-R391 PolarHBondContact O-N 2.97Å; Q388-R391 VanDerWaalsContact O-N 3.09Å; S389-R391 VanDerWaalsContact C-N 3.34Å; S389-R391 PolarHBondContact O-N 3.31Å; R391-E394 PolarHBondContact O-N 3.15Å; R391-F395 WeakPolarHBondContact O-CD2 3.35Å; R391-F395 PolarHBondContact O-N 2.94Å
392E87.4Confident87Confident112 Ų11298 Ų9852%0.52348%0.48SS..Hα-helixtrans-63.2-42.6176.3-73167.2-168.800111Q388 S389 E394 F395 H396Q388-E392 WeakPolarHBondContact O-CG 3.38Å; Q388-E392 PolarHBondContact O-N 3.41Å; S389-E392 PolarHBondContact O-N 3.23Å; E392-E394 PolarHBondContact O-N 3Å; E392-F395 PolarHBondContact O-N 3.36Å; E392-H396 PolarHBondContact O-N 2.9Å; E392-H396 PolarHBondContact O-ND1 3.44Å
393E86.4Confident86.7Confident106 Ų106100.8 Ų100.850%0.49549%0.493SS..Hα-helixtrans-58.7-43.6172.5-73.7168.1-149.300112S389 A390 H396 K397S389-E393 WeakPolarHBondContact O-CB 3.46Å; S389-E393 WeakPolarHBondContact O-CG 3.26Å; S389-E393 PolarHBondContact O-N 3.44Å; A390-E393 PolarHBondContact O-N 3.4Å; E393-H396 PolarHBondContact O-N 2.82Å; E393-K397 WeakPolarHBondContact O-CG 3.47Å; E393-K397 PolarHBondContact O-N 3.16Å
394E81.1Confident86.5Confident103 Ų103100.6 Ų100.648%0.48149%0.491SS..Hα-helixtrans-65.7-37.6173.4-66.9-52.3129.200112.6A390 R391 E392 K397 M398A390-E394 WeakPolarHBondContact O-CG 3.48Å; A390-E394 PolarHBondContact O-N 3.14Å; R391-E394 PolarHBondContact O-N 3.15Å; E392-E394 PolarHBondContact O-N 3Å; E394-K397 PolarHBondContact O-N 3.16Å; E394-K397 IonicContact OE1-NZ 2.96Å; E394-K397 PolarHBondContact OE1-NZ 2.91Å; E394-M398 WeakPolarHBondContact O-CG 3.26Å; E394-M398 PolarHBondContact O-N 3.09Å
395F85.6Confident86.2Confident134 Ų134102.9 Ų102.959%0.58849%0.491SS*.Hα-helixtrans-63.9-40.2172.7-80-62000112.3R391 E392 M398 A399R391-F395 WeakPolarHBondContact O-CD2 3.35Å; R391-F395 PolarHBondContact O-N 2.94Å; E392-F395 PolarHBondContact O-N 3.36Å; F395-M398 HydrophobicContact CD1-CE 3.5Å; F395-M398 VanDerWaalsContact CD1-CE 3.5Å; F395-M398 HydrophobicContact CE1-CE 3.76Å; F395-M398 HydrophobicContact CG-CE 4.44Å; F395-M398 PolarHBondContact O-N 3Å; F395-A399 WeakPolarHBondContact O-CB 3.25Å; F395-A399 PolarHBondContact O-N 3.25Å
396H86.5Confident85.8Confident135 Ų13599.2 Ų99.263%0.62548%0.482SS*.Hα-helixtrans-64-43174.6-74.683.5000111.2E392 E393 M398 A399 T400E392-H396 PolarHBondContact O-N 2.9Å; E392-H396 PolarHBondContact O-ND1 3.44Å; E393-H396 PolarHBondContact O-N 2.82Å; H396-M398 VanDerWaalsContact C-N 3.34Å; H396-M398 PolarHBondContact O-N 3.23Å; H396-A399 WeakPolarHBondContact O-CB 3.42Å; H396-A399 PolarHBondContact O-N 3.37Å; H396-A399 VanDerWaalsContact O-N 3.16Å; H396-T400 PolarHBondContact O-N 2.71Å; H396-T400 PolarHBondContact O-OG1 3.2Å
397K88.2Confident85.5Confident98 Ų9898.4 Ų98.443%0.42648%0.48SS..Hα-helixtrans-60.8-40.4173.7-68167.4-161.8169.20112.4E393 E394 T400 L401E393-K397 WeakPolarHBondContact O-CG 3.47Å; E393-K397 PolarHBondContact O-N 3.16Å; E394-K397 PolarHBondContact O-N 3.16Å; E394-K397 IonicContact OE1-NZ 2.96Å; E394-K397 PolarHBondContact OE1-NZ 2.91Å; K397-T400 PolarHBondContact O-OG1 3.48Å; K397-L401 WeakPolarHBondContact O-CB 3.36Å; K397-L401 VanDerWaalsContact O-CG 3.25Å; K397-L401 WeakPolarHBondContact O-CG 3.39Å; K397-L401 PolarHBondContact O-N 3.08Å
398M82.6Confident85Confident110 Ų110100 Ų10054%0.54249%0.485SS..Hα-helixtrans-66.8-36.4174.5-73.3-161.1-59.300112.3E394 F395 H396 H402E394-M398 WeakPolarHBondContact O-CG 3.26Å; E394-M398 PolarHBondContact O-N 3.09Å; F395-M398 HydrophobicContact CD1-CE 3.5Å; F395-M398 VanDerWaalsContact CD1-CE 3.5Å; F395-M398 HydrophobicContact CE1-CE 3.76Å; F395-M398 HydrophobicContact CG-CE 4.44Å; F395-M398 PolarHBondContact O-N 3Å; H396-M398 VanDerWaalsContact C-N 3.34Å; H396-M398 PolarHBondContact O-N 3.23Å; M398-H402 WeakPolarHBondContact O-CB 3.49Å; M398-H402 PolarHBondContact O-N 3.03Å
399A84.9Confident84.6Confident48 Ų4899.1 Ų99.140%0.39748%0.482SS..Hα-helixtrans-65.3-47.9175.700000111.5F395 H396 L401 H402 E403F395-A399 WeakPolarHBondContact O-CB 3.25Å; F395-A399 PolarHBondContact O-N 3.25Å; H396-A399 WeakPolarHBondContact O-CB 3.42Å; H396-A399 PolarHBondContact O-N 3.37Å; H396-A399 VanDerWaalsContact O-N 3.16Å; A399-L401 PolarHBondContact O-N 3.17Å; A399-H402 WeakPolarHBondContact O-CA 3.48Å; A399-H402 WeakPolarHBondContact O-CB 3.42Å; A399-H402 PolarHBondContact O-N 3.32Å; A399-E403 PolarHBondContact O-N 2.92Å
400T85.5Confident84.2Confident66 Ų66101.9 Ų101.941%0.40549%0.492SS..Hα-helixtrans-62.4-41.7177.156.30000111.8H396 K397 H402 E403 E404H396-T400 PolarHBondContact O-N 2.71Å; H396-T400 PolarHBondContact O-OG1 3.2Å; K397-T400 PolarHBondContact O-OG1 3.48Å; T400-H402 PolarHBondContact O-N 3Å; T400-E403 PolarHBondContact O-N 3.3Å; T400-E404 WeakPolarHBondContact O-CB 3.39Å; T400-E404 WeakPolarHBondContact O-CG 3.39Å; T400-E404 PolarHBondContact O-N 2.93Å
401L83.4Confident84.1Confident108 Ų108106.7 Ų106.757%0.56550%0.501SS*.Hα-helixtrans-63-30.3173.5-73.4170.1000112.6K397 A399 R405K397-L401 WeakPolarHBondContact O-CB 3.36Å; K397-L401 VanDerWaalsContact O-CG 3.25Å; K397-L401 WeakPolarHBondContact O-CG 3.39Å; K397-L401 PolarHBondContact O-N 3.08Å; A399-L401 PolarHBondContact O-N 3.17Å; L401-R405 WeakPolarHBondContact O-CB 3.49Å; L401-R405 PolarHBondContact O-N 2.84Å; L401-R405 VanDerWaalsContact O-N 3.09Å
402H84.3Confident83.8Confident91 Ų91104 Ų10442%0.42150%0.498SS..Hα-helixtrans-75.5-38.6175.8-167.133.2000112.2M398 A399 T400 R405 L406M398-H402 WeakPolarHBondContact O-CB 3.49Å; M398-H402 PolarHBondContact O-N 3.03Å; A399-H402 WeakPolarHBondContact O-CA 3.48Å; A399-H402 WeakPolarHBondContact O-CB 3.42Å; A399-H402 PolarHBondContact O-N 3.32Å; T400-H402 PolarHBondContact O-N 3Å; H402-R405 PolarHBondContact CE1-NH1 3.31Å; H402-R405 WeakPolarHBondContact O-CB 3.43Å; H402-R405 PolarHBondContact O-N 3.33Å; H402-L406 WeakPolarHBondContact O-CG 3.5Å; H402-L406 PolarHBondContact O-N 2.9Å
403E84.2Confident83.3Confident124 Ų124100.9 Ų100.958%0.57949%0.492SS*.Hα-helixtrans-63.2-47.5172-70.6174.8166.400111.3A399 T400 R405 L406 E407A399-E403 PolarHBondContact O-N 2.92Å; T400-E403 PolarHBondContact O-N 3.3Å; E403-R405 VanDerWaalsContact C-N 3.28Å; E403-R405 PolarHBondContact O-N 3.03Å; E403-L406 CarbonylContact O-C 3.6Å; E403-L406 WeakPolarHBondContact O-CB 3.31Å; E403-L406 PolarHBondContact O-N 2.84Å; E403-L406 VanDerWaalsContact O-N 3.09Å; E403-E407 PolarHBondContact O-N 3.02Å
404E83.6Confident83.1Confident109 Ų10999.3 Ų99.351%0.50949%0.489SS..Hα-helixtrans-56.4-41.5173.1-73.9173.5-170.700111.9T400 E407 L408T400-E404 WeakPolarHBondContact O-CB 3.39Å; T400-E404 WeakPolarHBondContact O-CG 3.39Å; T400-E404 PolarHBondContact O-N 2.93Å; E404-E407 PolarHBondContact O-N 3.06Å; E404-L408 WeakPolarHBondContact O-CG 3.44Å; E404-L408 PolarHBondContact O-N 2.74Å
405R84.6Confident82.9Confident128 Ų12899.6 Ų99.648%0.48349%0.494SS..Hα-helixtrans-63.2-44.5174.7-170-167.1122.4-147.8-12.6111.6L401 H402 E403 E407 L408 E409L401-R405 WeakPolarHBondContact O-CB 3.49Å; L401-R405 PolarHBondContact O-N 2.84Å; L401-R405 VanDerWaalsContact O-N 3.09Å; H402-R405 PolarHBondContact CE1-NH1 3.31Å; H402-R405 WeakPolarHBondContact O-CB 3.43Å; H402-R405 PolarHBondContact O-N 3.33Å; E403-R405 VanDerWaalsContact C-N 3.28Å; E403-R405 PolarHBondContact O-N 3.03Å; R405-E407 VanDerWaalsContact C-N 3.34Å; R405-L408 PolarHBondContact O-N 2.74Å; R405-E409 IonicContact CZ-OE1 2.64Å; R405-E409 IonicContact NE-OE1 2.86Å; R405-E409 PolarHBondContact NE-OE1 2.76Å; R405-E409 IonicContact NH2-OE1 3.9Å; R405-E409 PolarHBondContact NH2-OE1 3.31Å; R405-E409 IonicContact NH2-OE2 2.71Å; R405-E409 PolarHBondContact NH2-OE2 3.48Å; R405-E409 WeakPolarHBondContact O-CG 3.39Å; R405-E409 PolarHBondContact O-N 2.93Å
406L83.9Confident82.5Confident72 Ų7299.3 Ų99.338%0.37749%0.494SS..Hα-helixtrans-64.5-36.6177-74.8162.9000111.7H402 E403 E409 N410H402-L406 WeakPolarHBondContact O-CG 3.5Å; H402-L406 PolarHBondContact O-N 2.9Å; E403-L406 CarbonylContact O-C 3.6Å; E403-L406 WeakPolarHBondContact O-CB 3.31Å; E403-L406 PolarHBondContact O-N 2.84Å; E403-L406 VanDerWaalsContact O-N 3.09Å; L406-E409 PolarHBondContact O-N 3.35Å; L406-N410 WeakPolarHBondContact O-CB 3.41Å; L406-N410 VanDerWaalsContact O-CG 3.25Å; L406-N410 PolarHBondContact O-N 3.09Å; L406-N410 PolarHBondContact O-ND2 3.11Å
407E85.9Confident82Confident105 Ų10599 Ų9949%0.49149%0.493SS..Hα-helixtrans-62.9-40.9171.8-74.4-165-168.700112.6E403 E404 R405 N410 R411E403-E407 PolarHBondContact O-N 3.02Å; E404-E407 PolarHBondContact O-N 3.06Å; R405-E407 VanDerWaalsContact C-N 3.34Å; E407-N410 PolarHBondContact O-N 3.27Å; E407-R411 VanDerWaalsContact O-CG 3.28Å; E407-R411 WeakPolarHBondContact O-CG 3.23Å; E407-R411 PolarHBondContact O-N 3.21Å; E407-R411 IonicContact OE2-CZ 3.77Å; E407-R411 IonicContact OE2-NH2 2.69Å; E407-R411 PolarHBondContact OE2-NH2 3.05Å
408L80.8Confident81.5Confident102 Ų10299.9 Ų99.953%0.53450%0.498SS..Hα-helixtrans-67.1-40.6175.9-68.8171.9000111.8E404 R405 R411 L412E404-L408 WeakPolarHBondContact O-CG 3.44Å; E404-L408 PolarHBondContact O-N 2.74Å; R405-L408 PolarHBondContact O-N 2.74Å; L408-R411 PolarHBondContact O-N 3.22Å; L408-L412 PolarHBondContact O-N 3.35Å
409E78.1Confident81.2Confident79 Ų79103.2 Ų103.237%0.36951%0.505SS..Hα-helixtrans-61.4-42.7172.7-73.7173.3-179.700111.5R405 L406 L412 A413R405-E409 IonicContact CZ-OE1 2.64Å; R405-E409 IonicContact NE-OE1 2.86Å; R405-E409 PolarHBondContact NE-OE1 2.76Å; R405-E409 IonicContact NH2-OE1 3.9Å; R405-E409 PolarHBondContact NH2-OE1 3.31Å; R405-E409 IonicContact NH2-OE2 2.71Å; R405-E409 PolarHBondContact NH2-OE2 3.48Å; R405-E409 WeakPolarHBondContact O-CG 3.39Å; R405-E409 PolarHBondContact O-N 2.93Å; L406-E409 PolarHBondContact O-N 3.35Å; E409-L412 WeakPolarHBondContact O-CB 3.37Å; E409-L412 PolarHBondContact O-N 3.2Å; E409-A413 PolarHBondContact O-N 3.36Å
410N80.3Confident80.7Confident105 Ų105103.6 Ų103.656%0.56151%0.508SS*.Hα-helixtrans-65.3-38.6175.3-75.9-43.5000112.7L406 E407 L412 A413 V414L406-N410 WeakPolarHBondContact O-CB 3.41Å; L406-N410 VanDerWaalsContact O-CG 3.25Å; L406-N410 PolarHBondContact O-N 3.09Å; L406-N410 PolarHBondContact O-ND2 3.11Å; E407-N410 PolarHBondContact O-N 3.27Å; N410-L412 VanDerWaalsContact C-N 3.33Å; N410-A413 PolarHBondContact O-N 3.15Å; N410-V414 WeakPolarHBondContact O-CG2 3.41Å; N410-V414 PolarHBondContact O-N 3.26Å
411R84.4Confident80.2Confident145 Ų145105.6 Ų105.655%0.54752%0.516SS..Hα-helixtrans-65.2-37.3174.6-71.6171-161.9176.511.1111.7E407 L408 L415E407-R411 VanDerWaalsContact O-CG 3.28Å; E407-R411 WeakPolarHBondContact O-CG 3.23Å; E407-R411 PolarHBondContact O-N 3.21Å; E407-R411 IonicContact OE2-CZ 3.77Å; E407-R411 IonicContact OE2-NH2 2.69Å; E407-R411 PolarHBondContact OE2-NH2 3.05Å; L408-R411 PolarHBondContact O-N 3.22Å; R411-L415 WeakPolarHBondContact O-CG 3.45Å; R411-L415 PolarHBondContact O-N 3.43Å
412L77.6Confident79.8Confident103 Ų103107 Ų10754%0.53952%0.519SS..Hα-helixtrans-61-49.6170.7-93.2159000111.4L408 E409 N410 V414 L415 E416L408-L412 PolarHBondContact O-N 3.35Å; E409-L412 WeakPolarHBondContact O-CB 3.37Å; E409-L412 PolarHBondContact O-N 3.2Å; N410-L412 VanDerWaalsContact C-N 3.33Å; L412-V414 VanDerWaalsContact C-N 3.3Å; L412-V414 PolarHBondContact O-N 3.38Å; L412-L415 WeakPolarHBondContact O-CB 3.41Å; L412-L415 PolarHBondContact O-N 3.19Å; L412-E416 WeakPolarHBondContact O-CG 3.33Å; L412-E416 PolarHBondContact O-N 3.14Å
413A78.3Confident79.2Confident47 Ų47106.7 Ų106.739%0.38852%0.521SS..Hα-helixtrans-59-37.4178.800000113.1E409 N410 E416 Q417E409-A413 PolarHBondContact O-N 3.36Å; N410-A413 PolarHBondContact O-N 3.15Å; A413-E416 PolarHBondContact O-N 2.69Å; A413-Q417 WeakPolarHBondContact O-CB 3.45Å; A413-Q417 PolarHBondContact O-N 3.04Å
414V81.4Confident78.4Confident74 Ų74103.7 Ų103.745%0.44851%0.514SS..Hα-helixtrans-66.9-38.2174.9171.40000112.1N410 L412 Q417 Q418N410-V414 WeakPolarHBondContact O-CG2 3.41Å; N410-V414 PolarHBondContact O-N 3.26Å; L412-V414 VanDerWaalsContact C-N 3.3Å; L412-V414 PolarHBondContact O-N 3.38Å; V414-Q417 PolarHBondContact O-N 3.3Å; V414-Q418 WeakPolarHBondContact O-CG 3.39Å; V414-Q418 PolarHBondContact O-N 2.91Å
415L76.8Confident77.9Confident109 Ų109101.5 Ų101.557%0.57151%0.511SS*.Hα-helixtrans-68.4-38.5175.3-69.7168.5000111.8R411 L412 Q417 Q418 R419R411-L415 WeakPolarHBondContact O-CG 3.45Å; R411-L415 PolarHBondContact O-N 3.43Å; L412-L415 WeakPolarHBondContact O-CB 3.41Å; L412-L415 PolarHBondContact O-N 3.19Å; L415-Q417 VanDerWaalsContact C-N 3.34Å; L415-Q418 PolarHBondContact O-N 3.34Å; L415-R419 PolarHBondContact O-N 3.48Å; L415-R419 VanDerWaalsContact O-N 3.1Å
416E77.1Confident76.9Confident128 Ų128100.3 Ų100.360%0.59851%0.514SS*.Hα-helixtrans-63.6-39.9171.9-69.5179.3158.400111.5L412 A413 R419 A420L412-E416 WeakPolarHBondContact O-CG 3.33Å; L412-E416 PolarHBondContact O-N 3.14Å; A413-E416 PolarHBondContact O-N 2.69Å; E416-R419 WeakPolarHBondContact O-CB 3.36Å; E416-R419 PolarHBondContact O-N 2.84Å; E416-A420 WeakPolarHBondContact O-CB 3.27Å; E416-A420 PolarHBondContact O-N 3.16Å
417Q76.3Confident76.1Confident127 Ų127102 Ų10259%0.59352%0.52SS*.Hα-helixtrans-66.5-38.1175.9-167.8176.619.400112.6A413 V414 L415 R419 A420 L421A413-Q417 WeakPolarHBondContact O-CB 3.45Å; A413-Q417 PolarHBondContact O-N 3.04Å; V414-Q417 PolarHBondContact O-N 3.3Å; L415-Q417 VanDerWaalsContact C-N 3.34Å; Q417-R419 VanDerWaalsContact C-N 3.33Å; Q417-A420 PolarHBondContact O-N 3.39Å; Q417-L421 WeakPolarHBondContact O-CG 3.39Å; Q417-L421 PolarHBondContact O-N 3.08Å
418Q76.7Confident75.3Confident117 Ų11799.2 Ų99.255%0.54752%0.515SS..Hα-helixtrans-63-40.2172.9-75.8178.8-4.500111.9V414 L415 L421 Q422V414-Q418 WeakPolarHBondContact O-CG 3.39Å; V414-Q418 PolarHBondContact O-N 2.91Å; L415-Q418 PolarHBondContact O-N 3.34Å; Q418-L421 PolarHBondContact O-N 2.91Å; Q418-Q422 PolarHBondContact O-N 2.64Å; Q418-Q422 VanDerWaalsContact O-N 3.14Å
419R76.7Confident74.5Confident180 Ų18099.8 Ų99.868%0.67952%0.518SS*.Hα-helixtrans-64.1-45.6174.4-170.9178.3-176.5175.82.4111.8L415 E416 Q417 L421 Q422 D423L415-R419 PolarHBondContact O-N 3.48Å; L415-R419 VanDerWaalsContact O-N 3.1Å; E416-R419 WeakPolarHBondContact O-CB 3.36Å; E416-R419 PolarHBondContact O-N 2.84Å; Q417-R419 VanDerWaalsContact C-N 3.33Å; R419-L421 VanDerWaalsContact C-N 3.3Å; R419-L421 PolarHBondContact O-N 3.14Å; R419-Q422 WeakPolarHBondContact O-CB 3.35Å; R419-Q422 PolarHBondContact O-N 2.94Å; R419-Q422 VanDerWaalsContact O-N 3.09Å; R419-D423 PolarHBondContact O-N 3.08Å
420A74.3Confident73.9Confident56 Ų56103 Ų10346%0.46353%0.53SS..Hα-helixtrans-61.6-35.5176.500000112.9E416 Q417 S424E416-A420 WeakPolarHBondContact O-CB 3.27Å; E416-A420 PolarHBondContact O-N 3.16Å; Q417-A420 PolarHBondContact O-N 3.39Å; A420-S424 VanDerWaalsContact O-CB 3.32Å; A420-S424 WeakPolarHBondContact O-CB 3.49Å; A420-S424 PolarHBondContact O-N 3.28Å
421L76Confident73.1Confident109 Ų109102.1 Ų102.157%0.57152%0.523SS*.Hα-helixtrans-65.6-39.1173.2-74.9168.3000111.9Q417 Q418 R419 S424 S425Q417-L421 WeakPolarHBondContact O-CG 3.39Å; Q417-L421 PolarHBondContact O-N 3.08Å; Q418-L421 PolarHBondContact O-N 2.91Å; R419-L421 VanDerWaalsContact C-N 3.3Å; R419-L421 PolarHBondContact O-N 3.14Å; L421-S424 WeakPolarHBondContact CA-OG 3.33Å; L421-S424 PolarHBondContact O-N 2.69Å; L421-S424 PolarHBondContact O-OG 2.94Å; L421-S425 PolarHBondContact O-N 3.42Å; L421-S425 VanDerWaalsContact O-N 3.17Å
422Q73.8Confident72.4Confident136 Ų136101.5 Ų101.564%0.63653%0.526SS*.Hα-helixtrans-66.3-48.2176.7-161165.67.100111.2Q418 R419 S424 S425 D426Q418-Q422 PolarHBondContact O-N 2.64Å; Q418-Q422 VanDerWaalsContact O-N 3.14Å; R419-Q422 WeakPolarHBondContact O-CB 3.35Å; R419-Q422 PolarHBondContact O-N 2.94Å; R419-Q422 VanDerWaalsContact O-N 3.09Å; Q422-S424 VanDerWaalsContact C-N 3.28Å; Q422-S424 PolarHBondContact O-N 3.22Å; Q422-S425 PolarHBondContact O-N 3.38Å; Q422-S425 VanDerWaalsContact O-N 3.09Å; Q422-S425 PolarHBondContact O-OG 2.93Å; Q422-D426 PolarHBondContact O-N 3.49Å
423D72.6Confident71.2Confident86 Ų86105.9 Ų105.946%0.4654%0.536SS..Hα-helixtrans-58-40.2173.7-65.4-30.1000111.2R419 S425 D426 Q427R419-D423 PolarHBondContact O-N 3.08Å; D423-S425 VanDerWaalsContact C-N 3.28Å; D423-S425 PolarHBondContact O-N 3.43Å; D423-D426 PolarHBondContact O-N 3.26Å; D423-Q427 PolarHBondContact O-N 3.3Å
424S67.9Low70.5Confident61 Ų61108.4 Ų108.443%0.42754%0.539SS..Hα-helixtrans-64.2-28.8177.378.20000114.1A420 L421 Q422 Q427 A428A420-S424 VanDerWaalsContact O-CB 3.32Å; A420-S424 WeakPolarHBondContact O-CB 3.49Å; A420-S424 PolarHBondContact O-N 3.28Å; L421-S424 WeakPolarHBondContact CA-OG 3.33Å; L421-S424 PolarHBondContact O-N 2.69Å; L421-S424 PolarHBondContact O-OG 2.94Å; Q422-S424 VanDerWaalsContact C-N 3.28Å; Q422-S424 PolarHBondContact O-N 3.22Å; S424-Q427 WeakPolarHBondContact O-CB 3.35Å; S424-Q427 PolarHBondContact O-N 2.87Å; S424-A428 PolarHBondContact O-N 3.24Å
425S71.8Confident69.5Low63 Ų63110.9 Ų110.944%0.44155%0.546SS..Hα-helixtrans-74.1-34.5177.471.20000112.7L421 Q422 D423 Q427L421-S425 PolarHBondContact O-N 3.42Å; L421-S425 VanDerWaalsContact O-N 3.17Å; Q422-S425 PolarHBondContact O-N 3.38Å; Q422-S425 VanDerWaalsContact O-N 3.09Å; Q422-S425 PolarHBondContact O-OG 2.93Å; D423-S425 VanDerWaalsContact C-N 3.28Å; D423-S425 PolarHBondContact O-N 3.43Å; S425-Q427 VanDerWaalsContact C-N 3.31Å
426D63.9Low68.6Low102 Ų102115.1 Ų115.155%0.54555%0.554SS.*Hα-helixtrans-73.2-24.8171-73.7-22.6000112Q422 D423Q422-D426 PolarHBondContact O-N 3.49Å; D423-D426 PolarHBondContact O-N 3.26Å
427Q67.3Low67.5Low109 Ų109116 Ų11651%0.50956%0.562SS.*Hα-helixtrans-73.3-46.6173.3-139.297.60.200111.9D423 S424 S425 L429 K430 E431D423-Q427 PolarHBondContact O-N 3.3Å; S424-Q427 WeakPolarHBondContact O-CB 3.35Å; S424-Q427 PolarHBondContact O-N 2.87Å; S425-Q427 VanDerWaalsContact C-N 3.31Å; Q427-L429 VanDerWaalsContact C-N 3.3Å; Q427-L429 PolarHBondContact O-N 2.88Å; Q427-K430 WeakPolarHBondContact O-CA 3.5Å; Q427-K430 WeakPolarHBondContact O-CB 3.37Å; Q427-K430 PolarHBondContact O-N 3Å; Q427-E431 PolarHBondContact O-N 3.38Å
428A69.3Low66.8Low46 Ų46115.3 Ų115.338%0.3855%0.554SS.*Hα-helixtrans-58.7-39.2-178.400000112.7S424 K430 E431 E432S424-A428 PolarHBondContact O-N 3.24Å; A428-K430 PolarHBondContact O-N 2.89Å; A428-E431 PolarHBondContact O-N 3.23Å; A428-E431 VanDerWaalsContact O-N 3.14Å; A428-E432 PolarHBondContact O-N 3.48Å; A428-E432 VanDerWaalsContact O-N 3.08Å
429L64.7Low66.2Low114 Ų114115.1 Ų115.160%0.59757%0.566SS**Hα-helixtrans-63.9-16.4174.6-76.5170.9000114.3Q427 W433Q427-L429 VanDerWaalsContact C-N 3.3Å; Q427-L429 PolarHBondContact O-N 2.88Å; L429-W433 VanDerWaalsContact O-CD1 3.25Å
430K64.4Low65Low145 Ų145110.9 Ų110.963%0.6357%0.569SS**Hα-helixtrans-91.3-40.4169.4-71.3171.6178.2163.70111.6Q427 A428 E432 W433Q427-K430 WeakPolarHBondContact O-CA 3.5Å; Q427-K430 WeakPolarHBondContact O-CB 3.37Å; Q427-K430 PolarHBondContact O-N 3Å; A428-K430 PolarHBondContact O-N 2.89Å; K430-E432 VanDerWaalsContact C-N 3.35Å; K430-E432 PolarHBondContact O-N 3.45Å; K430-W433 WeakPolarHBondContact O-CB 3.3Å; K430-W433 PolarHBondContact O-N 3.28Å; K430-W433 VanDerWaalsContact O-N 3.11Å
431E63.6Low64Low87 Ų87115.5 Ų115.541%0.40758%0.581SS.*Hα-helixtrans-67.2-31.6-176.2-69.3178.4159.300112.9Q427 A428 W433 E434 E435Q427-E431 PolarHBondContact O-N 3.38Å; A428-E431 PolarHBondContact O-N 3.23Å; A428-E431 VanDerWaalsContact O-N 3.14Å; E431-W433 PolarHBondContact O-N 3.16Å; E431-W433 VanDerWaalsContact O-N 3.16Å; E431-E434 PolarHBondContact O-N 3.29Å; E431-E435 PolarHBondContact O-N 2.92Å
432E70.1Confident63.1Low132 Ų132119.5 Ų119.562%0.61760%0.597SS**Hα-helixtrans-57-27.9170.8-75-170.4158.900113.7A428 K430A428-E432 PolarHBondContact O-N 3.48Å; A428-E432 VanDerWaalsContact O-N 3.08Å; K430-E432 VanDerWaalsContact C-N 3.35Å; K430-E432 PolarHBondContact O-N 3.45Å
433W52.2Low62.1Low196 Ų196117.1 Ų117.174%0.74261%0.609SS**Hα-helixtrans-81.6-22.4174.4-6799.6000113L429 K430 E431L429-W433 VanDerWaalsContact O-CD1 3.25Å; K430-W433 WeakPolarHBondContact O-CB 3.3Å; K430-W433 PolarHBondContact O-N 3.28Å; K430-W433 VanDerWaalsContact O-N 3.11Å; E431-W433 PolarHBondContact O-N 3.16Å; E431-W433 VanDerWaalsContact O-N 3.16Å
434E63.7Low60.8Low100 Ų100121.2 Ų121.247%0.46763%0.625SS.*Hα-helixtrans-94.3-31.5-179-65.4-169.6-172.700113.8E431 R436 L437 R438E431-E434 PolarHBondContact O-N 3.29Å; E434-R436 PolarHBondContact O-N 2.94Å; E434-L437 VanDerWaalsContact O-CB 3.25Å; E434-L437 WeakPolarHBondContact O-CB 3.43Å; E434-L437 PolarHBondContact O-N 3.35Å; E434-R438 IonicContact OE2-CZ 3.68Å; E434-R438 IonicContact OE2-NH2 3.88Å; E434-R438 PolarHBondContact OE2-NH2 2.85Å
435E59.7Low59.7Low125 Ų125127 Ų12758%0.58465%0.646SS**Hα-helixtrans-68.2-20.8-178.6-72.4-159.6134.600113.7E431 L437 R438E431-E435 PolarHBondContact O-N 2.92Å; E435-L437 PolarHBondContact O-N 3.26Å; E435-L437 VanDerWaalsContact O-N 3.1Å; E435-R438 PolarHBondContact O-N 2.89Å
436R58.9Low58.9Low199 Ų199129.1 Ų129.175%0.75166%0.66SS**Hα-helixtrans-60.8-13.7166.9-69.3-176.4178.4164.84.1113.5E434E434-R436 PolarHBondContact O-N 2.94Å
437L53.8Low57.9Low145 Ų145132 Ų13276%0.75968%0.675SS**Hα-helixtrans-104.7-27.6-178-162.867.1000113.8E434 E435E434-L437 VanDerWaalsContact O-CB 3.25Å; E434-L437 WeakPolarHBondContact O-CB 3.43Å; E434-L437 PolarHBondContact O-N 3.35Å; E435-L437 PolarHBondContact O-N 3.26Å; E435-L437 VanDerWaalsContact O-N 3.1Å
438R61Low56.5Low114 Ų114138.8 Ų138.843%0.4370%0.696SS.*Hα-helixtrans-92.4-21.5-169.2-58.6-170.9-148.6132.5-2.3115.8E434 E435 A440 Q441E434-R438 IonicContact OE2-CZ 3.68Å; E434-R438 IonicContact OE2-NH2 3.88Å; E434-R438 PolarHBondContact OE2-NH2 2.85Å; E435-R438 PolarHBondContact O-N 2.89Å; R438-A440 PolarHBondContact O-N 3.01Å; R438-Q441 PolarHBondContact O-N 2.74Å
439S63.6Low55.6Low112 Ų112147.8 Ų147.878%0.78372%0.72SS**THydrogen-bonded Turntrans-61.5-10.2-177.554.40000114.7
440A52.4Low54.7Low92 Ų92151.7 Ų151.776%0.7674%0.735SS**THydrogen-bonded Turntrans-80.7-6.1177.500000115.8R438R438-A440 PolarHBondContact O-N 3.01Å
441Q52.3Low53.3Low153 Ų153152.1 Ų152.172%0.71574%0.744SS**SBendtrans-117.2-23.4-160.8-73.7-177.5-30.400119.4R438 G443R438-Q441 PolarHBondContact O-N 2.74Å; Q441-G443 PolarHBondContact O-N 3.04Å
442Q57.2Low52Low193 Ų193155 Ų15590%0.90276%0.757SS**  trans-98.737.5-161.2-74.2-171.8-22.700117.8E444Q442-E444 PolarHBondContact O-N 3.47Å
443G53.3Low50.8Low86 Ų86156.7 Ų156.789%0.88777%0.77SS**  trans-81.2-0.6-17700000117.8Q441Q441-G443 PolarHBondContact O-N 3.04Å
444E44.7Very low50.3Low171 Ų171155.5 Ų155.580%0.79978%0.778SS**SBendtrans-110.3-36.1-144.4-168.5170175.800118.9Q442Q442-E444 PolarHBondContact O-N 3.47Å
445E45.4Very low49.3Very low183 Ų183161.5 Ų161.586%0.85580%0.796SS**  trans-109.910-147.1-58.5-167.812300120L447E445-L447 PolarHBondContact O-N 3.47Å
446S55.6Low49.1Very low107 Ų107163.2 Ų163.275%0.74881%0.809SS**  trans-77.51.6-157.359.70000120.4
447L41.8Very low48.9Very low163 Ų163163.8 Ų163.885%0.85382%0.817SS**  trans-105.622.3-152.2-79.4171.8000120.7E445E445-L447 PolarHBondContact O-N 3.47Å
448R39.7Very low49.2Very low251 Ų251163.5 Ų163.595%0.94782%0.821SS**  trans-126.520.8-160.9-91.3-178175.1157.60.3122.2
449R49Very low48.6Very low235 Ų235167.1 Ų167.189%0.88784%0.843SS**  trans-96.1-23.6-160.1-86.4-170.6176.296.3-0.1123.5L451R449-L451 PolarHBondContact O-N 2.89Å
450E45.9Very low48.3Very low197 Ų197170.5 Ų170.592%0.92185%0.846SS**  trans-91.10.9-140.6-64.8-168.9145.400122.3
451L34.4Very low48.2Very low154 Ų154175 Ų17581%0.80685%0.852SS**  trans-89.9135.5-162.1-133.684.3000118R449R449-L451 PolarHBondContact O-N 2.89Å
452Q37.6Very low47.7Very low148 Ų148173.2 Ų173.269%0.69286%0.856SS**  trans93.442.3133.7-136.569.8-17.500123.7
453N45.4Very low47.6Very low166 Ų166169.2 Ų169.289%0.88885%0.849SS**  trans-97.615.2-170.2-124.5-13.2000119.4
454L41.6Very low47.4Very low172 Ų172173.5 Ų173.590%0.90185%0.846SS**  trans-121.918.8-151.1-76.5173.5000121.5
455R41.8Very low47.7Very low225 Ų225172.6 Ų172.685%0.84985%0.846SS**  trans-102.3-23.5-163.9-98.4-179.4175.9162.4-0.1122.7
456N55.6Low48.3Very low162 Ų162172 Ų17287%0.86684%0.843SS**  trans-110.723.9-151.6-671.2000119.3
457K53.8Low48.4Very low211 Ų211175.1 Ų175.192%0.91785%0.846SS**  trans-103.44.5-165.4-99.7-175.5-179.9-178.50119.8
458V60.3Low48.9Very low138 Ų138174.1 Ų174.184%0.83684%0.841SS**  trans-101.7-12-161.3174.80000116.3Q460V458-Q460 PolarHBondContact O-N 2.99Å
459Q49.7Very low49.8Very low191 Ų191170.2 Ų170.289%0.89383%0.833SS**SBendtrans-93.34.9-153.3-156.5166.4-9.700118.1
460Q56.2Low50.3Low182 Ų182168.5 Ų168.585%0.8583%0.827SS**  trans-117.59.7-156.9-145.7171.63.600117.9V458V458-Q460 PolarHBondContact O-N 2.99Å
461Q50.1Low50.6Low188 Ų188166.3 Ų166.388%0.87982%0.817SS**  trans-101.63.9-168.1-72.2-173.9-41.200117.2
462S42Very low52Low114 Ų114167.8 Ų167.880%0.79782%0.816SS**  trans-92-2.1-164.849.80000117.7
463S55.6Low53.3Low109 Ų109165.4 Ų165.476%0.76281%0.812SS**SBendtrans-103.719.5-16168.80000117.2
464Q48.7Very low54.2Low176 Ų176164.6 Ų164.682%0.82280%0.803SS**SBendtrans-11710.2-167.7-70.6-174.4-31.800116.2
465L50.9Low55.3Low152 Ų152161.9 Ų161.980%0.79679%0.788SS**SBendtrans-106.9-9.6-170.2-83.9166.1000116.9
466E58.5Low56.5Low170 Ų170154.1 Ų154.179%0.79477%0.769SS**SBendtrans-90.6-7.9-167.4-65.2-175.5162.600116
467E57.8Low57.1Low173 Ų173151.2 Ų151.281%0.80875%0.753SS**SBendtrans-86.3-15.4-171.5-70.8179.413500114.9
468L52.7Low57.5Low142 Ų142146.9 Ų146.974%0.74374%0.739SS**THydrogen-bonded Turntrans-82.3-13.9-171.1-85.6164.3000115.9
469E58.6Low57.7Low169 Ų169146.5 Ų146.579%0.7973%0.729SS**THydrogen-bonded Turntrans-84.4-18.7-172.7-65-167.614200114.5Q471E469-Q471 PolarHBondContact O-N 3Å
470R59.7Low58.5Low199 Ų199143.7 Ų143.775%0.75172%0.715SS**G310 helixtrans-73.8-19.2-172.8-78.3-176.616985.5-0.3115.8K472R470-K472 PolarHBondContact O-N 3.46Å
471Q52.3Low59Low151 Ų151140.8 Ų140.871%0.70670%0.702SS**G310 helixtrans-86.60.5-172-68.7-179.4-16.600114.9E469E469-Q471 PolarHBondContact O-N 3Å
472K62.5Low59.4Low185 Ų185137.1 Ų137.180%0.80469%0.688SS**G310 helixtrans-91.6-18.1-175.6-95.5-179175.6175.20115.7R470R470-K472 PolarHBondContact O-N 3.46Å
473T64.7Low60.8Low98 Ų98138.1 Ų138.160%0.60168%0.68SS**SBendtrans-89.3-19.5-171.3470000114.6I475 S476T473-I475 VanDerWaalsContact C-N 3.33Å; T473-I475 PolarHBondContact O-N 3.46Å; T473-S476 PolarHBondContact O-OG 2.98Å
474E65.3Low61.6Low150 Ų150138.7 Ų138.770%0.70167%0.671SS**Hα-helixtrans-80.7-12.6-177.4-64.9178.6149.900113.6
475I63.9Low62.6Low114 Ų114135.2 Ų135.259%0.58566%0.657SS**Hα-helixtrans-86.4-23.8-175.9-68.3169.6000112.5T473T473-I475 VanDerWaalsContact C-N 3.33Å; T473-I475 PolarHBondContact O-N 3.46Å
476S66.8Low63.6Low63 Ų63131.6 Ų131.644%0.44165%0.645SS.*Hα-helixtrans-69.7-41178.343.40000112.8T473 L478 Q479T473-S476 PolarHBondContact O-OG 2.98Å; S476-L478 VanDerWaalsContact C-N 3.34Å; S476-L478 PolarHBondContact O-N 3.13Å; S476-Q479 PolarHBondContact O-N 3.38Å; S476-Q479 VanDerWaalsContact O-N 3.13Å
477D68.2Low64.4Low101 Ų101128.5 Ų128.554%0.5464%0.637SS.*Hα-helixtrans-74.9-28.7-164.3-60.76.3000111.8Q479D477-Q479 VanDerWaalsContact C-N 3.31Å; D477-Q479 PolarHBondContact O-N 3.33Å
478L62.8Low65.1Low119 Ų119126 Ų12662%0.62363%0.626SS**Hα-helixtrans-73.5-17.8174.3-68.3171.7000113.7S476S476-L478 VanDerWaalsContact C-N 3.34Å; S476-L478 PolarHBondContact O-N 3.13Å
479Q64.2Low65.9Low131 Ų131124.7 Ų124.761%0.61262%0.619SS**Hα-helixtrans-81.4-29.4176.7-67-174.1-14.500112.4S476 D477S476-Q479 PolarHBondContact O-N 3.38Å; S476-Q479 VanDerWaalsContact O-N 3.13Å; D477-Q479 VanDerWaalsContact C-N 3.31Å; D477-Q479 PolarHBondContact O-N 3.33Å
480Q67.6Low66.6Low132 Ų132118.1 Ų118.162%0.61760%0.596SS**Hα-helixtrans-73.8-40.2-177.7-162.5167.5-100112.1N482 Q483Q480-N482 VanDerWaalsContact C-N 3.27Å; Q480-N482 PolarHBondContact O-N 3.34Å; Q480-Q483 PolarHBondContact O-N 3.01Å
481Q66Low67.3Low120 Ų120111.2 Ų111.256%0.56158%0.582SS**Hα-helixtrans-63.9-28178.6-65.5179.3-5.800113.7Q483Q481-Q483 VanDerWaalsContact C-N 3.32Å; Q481-Q483 PolarHBondContact O-N 3.13Å
482N58.3Low68.1Low112 Ų112109 Ų10960%0.59957%0.574SS**Hα-helixtrans-71.6-26.5179.2-121.1-57.1000113Q480 S486Q480-N482 VanDerWaalsContact C-N 3.27Å; Q480-N482 PolarHBondContact O-N 3.34Å; N482-S486 PolarHBondContact O-OG 3.16Å
483Q72.2Confident68.7Low135 Ų135103.8 Ų103.863%0.63156%0.561SS**Hα-helixtrans-78.1-37-179.4-65178.40.200111.6Q480 Q481 S486 V487Q480-Q483 PolarHBondContact O-N 3.01Å; Q481-Q483 VanDerWaalsContact C-N 3.32Å; Q481-Q483 PolarHBondContact O-N 3.13Å; Q483-S486 WeakPolarHBondContact O-CB 3.49Å; Q483-S486 PolarHBondContact O-N 3.45Å; Q483-V487 PolarHBondContact O-N 2.95Å
484E72.8Confident69.3Low121 Ų121107.4 Ų107.457%0.56556%0.564SS**Hα-helixtrans-66.2-39.3178.9-65.2-177.1148.600112.5S486 V487 Q488E484-S486 VanDerWaalsContact C-N 3.31Å; E484-S486 PolarHBondContact O-N 3.03Å; E484-V487 PolarHBondContact O-N 3.02Å; E484-Q488 PolarHBondContact O-N 3.45Å
485L68.8Low69.8Low102 Ų102102.7 Ų102.753%0.53455%0.547SS..Hα-helixtrans-64.7-34175-68.8171.6000112.6V487 Q488 L489L485-V487 VanDerWaalsContact C-N 3.34Å; L485-V487 PolarHBondContact O-N 3.46Å; L485-Q488 PolarHBondContact O-N 3Å; L485-L489 PolarHBondContact O-N 2.89Å
486S71.9Confident70.4Confident76 Ų76103 Ų10353%0.53155%0.546SS..Hα-helixtrans-66.7-34.1175.9-63.50000112.6N482 Q483 E484 G490N482-S486 PolarHBondContact O-OG 3.16Å; Q483-S486 WeakPolarHBondContact O-CB 3.49Å; Q483-S486 PolarHBondContact O-N 3.45Å; E484-S486 VanDerWaalsContact C-N 3.31Å; E484-S486 PolarHBondContact O-N 3.03Å; S486-G490 PolarHBondContact O-N 3.41Å
487V76.2Confident71.1Confident105 Ų105101.4 Ų101.464%0.63654%0.54SS*.Hα-helixtrans-70.2-36.1176.61760000111.5Q483 E484 L485 G490 A491Q483-V487 PolarHBondContact O-N 2.95Å; E484-V487 PolarHBondContact O-N 3.02Å; L485-V487 VanDerWaalsContact C-N 3.34Å; L485-V487 PolarHBondContact O-N 3.46Å; V487-G490 PolarHBondContact O-N 2.99Å; V487-A491 PolarHBondContact O-N 3.4Å
488Q72.3Confident71.7Confident122 Ų122103.3 Ų103.357%0.5755%0.545SS*.Hα-helixtrans-68.1-41.8177.6-66.6177.813.200112.2E484 L485 G490 A491 L492E484-Q488 PolarHBondContact O-N 3.45Å; L485-Q488 PolarHBondContact O-N 3Å; Q488-G490 VanDerWaalsContact C-N 3.31Å; Q488-G490 PolarHBondContact O-N 3.48Å; Q488-A491 PolarHBondContact O-N 3.08Å; Q488-A491 VanDerWaalsContact O-N 3.11Å; Q488-L492 PolarHBondContact O-N 3.32Å; Q488-L492 VanDerWaalsContact O-N 3.14Å
489L69.3Low72.4Confident114 Ų114103 Ų10360%0.59754%0.543SS*.Hα-helixtrans-58.6-42.9171.6-76.5164.6000111.7L485 A491 L492 S493L485-L489 PolarHBondContact O-N 2.89Å; L489-A491 PolarHBondContact O-N 2.93Å; L489-L492 PolarHBondContact O-N 2.87Å; L489-S493 PolarHBondContact O-N 3.22Å; L489-S493 VanDerWaalsContact O-N 3.15Å
490G73.4Confident73.3Confident30 Ų30100.9 Ų100.931%0.30954%0.54SS..Hα-helixtrans-68.6-10.2176.300000115.5S486 V487 Q488 R494S486-G490 PolarHBondContact O-N 3.41Å; V487-G490 PolarHBondContact O-N 2.99Å; Q488-G490 VanDerWaalsContact C-N 3.31Å; Q488-G490 PolarHBondContact O-N 3.48Å; G490-R494 PolarHBondContact O-NE 3.32Å; G490-R494 PolarHBondContact O-NH2 2.9Å; G490-R494 VanDerWaalsContact O-NH2 3.14Å
491A73.6Confident74.1Confident55 Ų5598.6 Ų98.646%0.45553%0.532SS..Hα-helixtrans-90.8-41.8170.300000111.3V487 Q488 L489 R494 S495V487-A491 PolarHBondContact O-N 3.4Å; Q488-A491 PolarHBondContact O-N 3.08Å; Q488-A491 VanDerWaalsContact O-N 3.11Å; L489-A491 PolarHBondContact O-N 2.93Å; A491-R494 PolarHBondContact O-N 2.91Å; A491-S495 PolarHBondContact O-N 3.49Å; A491-S495 VanDerWaalsContact O-N 3.16Å
492L69.1Low74.7Confident105 Ų10595.1 Ų95.155%0.5552%0.524SS..Hα-helixtrans-60.5-48.5177.6-70.5169.9000111.7Q488 L489 R494 S495 E496Q488-L492 PolarHBondContact O-N 3.32Å; Q488-L492 VanDerWaalsContact O-N 3.14Å; L489-L492 PolarHBondContact O-N 2.87Å; L492-R494 PolarHBondContact O-N 3.44Å; L492-R494 VanDerWaalsContact O-N 3.16Å; L492-S495 PolarHBondContact O-N 3.17Å; L492-S495 PolarHBondContact O-OG 3.29Å; L492-E496 PolarHBondContact O-N 2.88Å
493S76.5Confident75.7Confident74 Ų7493.8 Ų93.852%0.51752%0.517SS..Hα-helixtrans-64.7-20.9178.1-60.60000114.4L489 G497L489-S493 PolarHBondContact O-N 3.22Å; L489-S493 VanDerWaalsContact O-N 3.15Å; S493-G497 PolarHBondContact O-N 2.99Å
494R76.1Confident76.3Confident175 Ų17593 Ų9366%0.6651%0.513SS*.Hα-helixtrans-74.3-42.1170-85.2-179.6-89.2-174.5-7.3111.6G490 A491 L492 E496 G497 E498G490-R494 PolarHBondContact O-NE 3.32Å; G490-R494 PolarHBondContact O-NH2 2.9Å; G490-R494 VanDerWaalsContact O-NH2 3.14Å; A491-R494 PolarHBondContact O-N 2.91Å; L492-R494 PolarHBondContact O-N 3.44Å; L492-R494 VanDerWaalsContact O-N 3.16Å; R494-E496 VanDerWaalsContact C-N 3.33Å; R494-E496 PolarHBondContact O-N 3.06Å; R494-G497 PolarHBondContact O-N 2.68Å; R494-E498 PolarHBondContact O-N 2.97Å
495S75.9Confident77Confident51 Ų5195.3 Ų95.336%0.35752%0.516SS..Hα-helixtrans-65.5-33.7173.869.60000113.1A491 L492 L499A491-S495 PolarHBondContact O-N 3.49Å; A491-S495 VanDerWaalsContact O-N 3.16Å; L492-S495 PolarHBondContact O-N 3.17Å; L492-S495 PolarHBondContact O-OG 3.29Å; S495-L499 WeakPolarHBondContact O-CB 3.34Å; S495-L499 VanDerWaalsContact O-CG 3.31Å; S495-L499 WeakPolarHBondContact O-CG 3.47Å; S495-L499 PolarHBondContact O-N 3.08Å; S495-L499 VanDerWaalsContact O-N 3.09Å
496E76.4Confident77.5Confident119 Ų11995.9 Ų95.956%0.55652%0.519SS*.Hα-helixtrans-64.2-43.4171.4-69.6178.4137.600111.5L492 R494 L499 T500L492-E496 PolarHBondContact O-N 2.88Å; R494-E496 VanDerWaalsContact C-N 3.33Å; R494-E496 PolarHBondContact O-N 3.06Å; E496-L499 PolarHBondContact O-N 3.31Å; E496-T500 PolarHBondContact O-N 3.47Å; E496-T500 PolarHBondContact O-OG1 2.95Å
497G81.3Confident78.1Confident30 Ų30100.2 Ų100.231%0.30952%0.524SS..Hα-helixtrans-57.5-49.3174.800000112.9S493 R494 L499 T500 D501S493-G497 PolarHBondContact O-N 2.99Å; R494-G497 PolarHBondContact O-N 2.68Å; G497-L499 VanDerWaalsContact C-N 3.3Å; G497-L499 PolarHBondContact O-N 3Å; G497-T500 WeakPolarHBondContact CA-OG1 3.45Å; G497-T500 PolarHBondContact O-N 3.41Å; G497-T500 VanDerWaalsContact O-N 3.11Å; G497-T500 PolarHBondContact O-OG1 3.48Å; G497-D501 PolarHBondContact O-N 3.01Å
498E82.1Confident78.6Confident142 Ų14299.1 Ų99.166%0.66451%0.512SS*.Hα-helixtrans-61.2-37177.1-70.3175-17200112.4R494 A502R494-E498 PolarHBondContact O-N 2.97Å; E498-A502 WeakPolarHBondContact O-CB 3.36Å; E498-A502 PolarHBondContact O-N 3.47Å
499L76.8Confident79.2Confident111 Ų11196.6 Ų96.658%0.58151%0.505SS*.Hα-helixtrans-70.4-31.9174.3-73.3171.1000113.2S495 E496 G497 N503S495-L499 WeakPolarHBondContact O-CB 3.34Å; S495-L499 VanDerWaalsContact O-CG 3.31Å; S495-L499 WeakPolarHBondContact O-CG 3.47Å; S495-L499 PolarHBondContact O-N 3.08Å; S495-L499 VanDerWaalsContact O-N 3.09Å; E496-L499 PolarHBondContact O-N 3.31Å; G497-L499 VanDerWaalsContact C-N 3.3Å; G497-L499 PolarHBondContact O-N 3Å; L499-N503 WeakPolarHBondContact O-CB 3.28Å; L499-N503 PolarHBondContact O-N 3.49Å; L499-N503 VanDerWaalsContact O-N 3.09Å; L499-N503 PolarHBondContact O-ND2 3.33Å
500T82.1Confident79.8Confident87 Ų8795.5 Ų95.553%0.53450%0.499SS..Hα-helixtrans-71-42.5172.550.70000112.2E496 G497 A502 N503 Q504E496-T500 PolarHBondContact O-N 3.47Å; E496-T500 PolarHBondContact O-OG1 2.95Å; G497-T500 WeakPolarHBondContact CA-OG1 3.45Å; G497-T500 PolarHBondContact O-N 3.41Å; G497-T500 VanDerWaalsContact O-N 3.11Å; G497-T500 PolarHBondContact O-OG1 3.48Å; T500-A502 PolarHBondContact O-N 3.22Å; T500-N503 WeakPolarHBondContact O-CB 3.45Å; T500-N503 PolarHBondContact O-N 2.92Å; T500-Q504 PolarHBondContact O-N 2.95Å
501D84.5Confident80.5Confident84 Ų8497.5 Ų97.545%0.44950%0.503SS..Hα-helixtrans-63.6-41.4175.9-82.3-1.7000111.7G497 Q504 R505G497-D501 PolarHBondContact O-N 3.01Å; D501-Q504 PolarHBondContact O-N 3.49Å; D501-R505 WeakPolarHBondContact O-CG 3.45Å; D501-R505 PolarHBondContact O-N 3.16Å
502A79.9Confident81.2Confident47 Ų47101.3 Ų101.339%0.38851%0.505SS..Hα-helixtrans-62.1-43.317400000111.8E498 T500 Q504 R505 L506E498-A502 WeakPolarHBondContact O-CB 3.36Å; E498-A502 PolarHBondContact O-N 3.47Å; T500-A502 PolarHBondContact O-N 3.22Å; A502-Q504 PolarHBondContact O-N 2.87Å; A502-R505 PolarHBondContact O-N 3.34Å; A502-L506 WeakPolarHBondContact O-CB 3.37Å; A502-L506 WeakPolarHBondContact O-CG 3.43Å; A502-L506 PolarHBondContact O-N 3.42Å
503N78Confident81.9Confident85 Ų85100 Ų10046%0.45550%0.502SS..Hα-helixtrans-61.9-40.4174.3-97.7-76.2000112.6L499 T500 L506 R507L499-N503 WeakPolarHBondContact O-CB 3.28Å; L499-N503 PolarHBondContact O-N 3.49Å; L499-N503 VanDerWaalsContact O-N 3.09Å; L499-N503 PolarHBondContact O-ND2 3.33Å; T500-N503 WeakPolarHBondContact O-CB 3.45Å; T500-N503 PolarHBondContact O-N 2.92Å; N503-L506 PolarHBondContact O-N 3.37Å; N503-R507 WeakPolarHBondContact O-CG 3.27Å; N503-R507 PolarHBondContact O-N 3.13Å
504Q85.8Confident82.4Confident118 Ų118102.4 Ų102.455%0.55150%0.5SS*.Hα-helixtrans-66.7-44.1178.8-174.8162.3-24.500111.5T500 D501 A502 L506 R507 E508T500-Q504 PolarHBondContact O-N 2.95Å; D501-Q504 PolarHBondContact O-N 3.49Å; A502-Q504 PolarHBondContact O-N 2.87Å; Q504-L506 VanDerWaalsContact C-N 3.34Å; Q504-L506 PolarHBondContact O-N 3.02Å; Q504-R507 WeakPolarHBondContact O-CB 3.16Å; Q504-R507 PolarHBondContact O-N 3.31Å; Q504-E508 PolarHBondContact O-N 3.03Å
505R87Confident83Confident169 Ų16999.7 Ų99.764%0.63849%0.494SS*.Hα-helixtrans-60.9-40.7173.9-68.5172.9-168.3-174.87.7112.2D501 A502 E508 T509D501-R505 WeakPolarHBondContact O-CG 3.45Å; D501-R505 PolarHBondContact O-N 3.16Å; A502-R505 PolarHBondContact O-N 3.34Å; R505-E508 PolarHBondContact O-N 2.65Å; R505-T509 WeakPolarHBondContact O-CG2 3.36Å; R505-T509 PolarHBondContact O-N 3.05Å; R505-T509 PolarHBondContact O-OG1 3Å
506L79.9Confident83.6Confident114 Ų114103.2 Ų103.260%0.59751%0.505SS*.Hα-helixtrans-62.6-41.6175-74.8170.9000111.9A502 N503 Q504 T509 L510A502-L506 WeakPolarHBondContact O-CB 3.37Å; A502-L506 WeakPolarHBondContact O-CG 3.43Å; A502-L506 PolarHBondContact O-N 3.42Å; N503-L506 PolarHBondContact O-N 3.37Å; Q504-L506 VanDerWaalsContact C-N 3.34Å; Q504-L506 PolarHBondContact O-N 3.02Å; L506-T509 WeakPolarHBondContact CA-OG1 3.26Å; L506-T509 PolarHBondContact O-N 2.93Å; L506-T509 PolarHBondContact O-OG1 3.23Å; L506-L510 WeakPolarHBondContact O-CB 3.36Å; L506-L510 PolarHBondContact O-N 3.49Å
507R84Confident83.8Confident167 Ų167100.4 Ų100.463%0.6350%0.496SS*.Hα-helixtrans-61.4-46.1174-71.3171.2-175.8-1731.8112N503 Q504 T509 L510 D511N503-R507 WeakPolarHBondContact O-CG 3.27Å; N503-R507 PolarHBondContact O-N 3.13Å; Q504-R507 WeakPolarHBondContact O-CB 3.16Å; Q504-R507 PolarHBondContact O-N 3.31Å; R507-T509 VanDerWaalsContact C-N 3.34Å; R507-T509 PolarHBondContact O-N 3.44Å; R507-L510 WeakPolarHBondContact O-CB 3.47Å; R507-L510 PolarHBondContact O-N 2.85Å; R507-L510 VanDerWaalsContact O-N 3.13Å; R507-D511 PolarHBondContact O-N 2.92Å
508E86.9Confident84.2Confident83 Ų83106.4 Ų106.439%0.38851%0.509SS..Hα-helixtrans-59.7-41.4175.6-72178.4-153.400112.7Q504 R505 D511 R512Q504-E508 PolarHBondContact O-N 3.03Å; R505-E508 PolarHBondContact O-N 2.65Å; E508-D511 PolarHBondContact O-N 3Å; E508-R512 WeakPolarHBondContact O-CG 3.23Å; E508-R512 PolarHBondContact O-N 3.31Å; E508-R512 IonicContact OE2-CZ 3.91Å; E508-R512 IonicContact OE2-NH2 2.76Å; E508-R512 PolarHBondContact OE2-NH2 2.96Å
509T84.9Confident84.5Confident68 Ų68102.6 Ų102.642%0.41750%0.502SS..Hα-helixtrans-67.1-37174.655.80000112.5R505 L506 R507 D511 V513R505-T509 WeakPolarHBondContact O-CG2 3.36Å; R505-T509 PolarHBondContact O-N 3.05Å; R505-T509 PolarHBondContact O-OG1 3Å; L506-T509 WeakPolarHBondContact CA-OG1 3.26Å; L506-T509 PolarHBondContact O-N 2.93Å; L506-T509 PolarHBondContact O-OG1 3.23Å; R507-T509 VanDerWaalsContact C-N 3.34Å; R507-T509 PolarHBondContact O-N 3.44Å; T509-D511 VanDerWaalsContact C-N 3.35Å; T509-V513 WeakPolarHBondContact O-CB 3.37Å; T509-V513 VanDerWaalsContact O-CG2 3.31Å; T509-V513 WeakPolarHBondContact O-CG2 3.44Å; T509-V513 PolarHBondContact O-N 2.83Å
510L81.2Confident84.9Confident91 Ų91101.7 Ų101.748%0.47650%0.501SS..Hα-helixtrans-63.7-41.7176.6-166.783.9000111.2L506 R507 V513 R514L506-L510 WeakPolarHBondContact O-CB 3.36Å; L506-L510 PolarHBondContact O-N 3.49Å; R507-L510 WeakPolarHBondContact O-CB 3.47Å; R507-L510 PolarHBondContact O-N 2.85Å; R507-L510 VanDerWaalsContact O-N 3.13Å; L510-V513 PolarHBondContact O-N 3.12Å; L510-R514 VanDerWaalsContact CD2-CZ 3.48Å; L510-R514 WeakPolarHBondContact O-CB 3.41Å; L510-R514 WeakPolarHBondContact O-CD 3.28Å; L510-R514 WeakPolarHBondContact O-CG 3.47Å; L510-R514 PolarHBondContact O-N 3.32Å
511D87.5Confident85.1Confident72 Ų72105.2 Ų105.239%0.38551%0.505SS..Hα-helixtrans-73.9-36.8-180-70.9-32.7000112.3R507 E508 T509 R514 E515R507-D511 PolarHBondContact O-N 2.92Å; E508-D511 PolarHBondContact O-N 3Å; T509-D511 VanDerWaalsContact C-N 3.35Å; D511-R514 WeakPolarHBondContact O-CB 3.42Å; D511-R514 PolarHBondContact O-N 3.42Å; D511-R514 VanDerWaalsContact OD1-CD 3.26Å; D511-R514 WeakPolarHBondContact OD1-CD 3.3Å; D511-R514 IonicContact OD1-CZ 3.17Å; D511-R514 IonicContact OD1-NE 3.39Å; D511-R514 IonicContact OD1-NH1 3.24Å; D511-R514 PolarHBondContact OD1-NH1 3.04Å; D511-E515 WeakPolarHBondContact O-CG 3.24Å; D511-E515 PolarHBondContact O-N 2.9Å
512R89.8Confident85.3Confident135 Ų135102.9 Ų102.951%0.50950%0.497SS..Hα-helixtrans-59-47.8168.3-71.3174.2-165.5138.317.8111.9E508 R514 E515 E516E508-R512 WeakPolarHBondContact O-CG 3.23Å; E508-R512 PolarHBondContact O-N 3.31Å; E508-R512 IonicContact OE2-CZ 3.91Å; E508-R512 IonicContact OE2-NH2 2.76Å; E508-R512 PolarHBondContact OE2-NH2 2.96Å; R512-R514 VanDerWaalsContact C-N 3.3Å; R512-R514 PolarHBondContact O-N 3.19Å; R512-E515 PolarHBondContact O-N 2.98Å; R512-E515 VanDerWaalsContact O-N 3.1Å; R512-E516 WeakPolarHBondContact O-CG 3.47Å; R512-E516 PolarHBondContact O-N 2.74Å
513V82.9Confident85.7Confident79 Ų79105.8 Ų105.848%0.47950%0.502SS..Hα-helixtrans-63.2-35.8176.2170.90000111.6T509 L510 E515 E516 V517T509-V513 WeakPolarHBondContact O-CB 3.37Å; T509-V513 VanDerWaalsContact O-CG2 3.31Å; T509-V513 WeakPolarHBondContact O-CG2 3.44Å; T509-V513 PolarHBondContact O-N 2.83Å; L510-V513 PolarHBondContact O-N 3.12Å; V513-E515 VanDerWaalsContact C-N 3.35Å; V513-E516 PolarHBondContact O-N 3.35Å; V513-V517 HydrophobicContact CG1-CG2 4.46Å; V513-V517 WeakPolarHBondContact O-CB 3.37Å; V513-V517 VanDerWaalsContact O-CG2 3.24Å; V513-V517 WeakPolarHBondContact O-CG2 3.34Å; V513-V517 PolarHBondContact O-N 3.39Å
514R88.1Confident85.8Confident124 Ų124104.3 Ų104.347%0.46850%0.502SS..Hα-helixtrans-64.5-37.9172.9-75.5159.3166.2-178.4-3.6112.2L510 D511 R512 R518L510-R514 VanDerWaalsContact CD2-CZ 3.48Å; L510-R514 WeakPolarHBondContact O-CB 3.41Å; L510-R514 WeakPolarHBondContact O-CD 3.28Å; L510-R514 WeakPolarHBondContact O-CG 3.47Å; L510-R514 PolarHBondContact O-N 3.32Å; D511-R514 WeakPolarHBondContact O-CB 3.42Å; D511-R514 PolarHBondContact O-N 3.42Å; D511-R514 VanDerWaalsContact OD1-CD 3.26Å; D511-R514 WeakPolarHBondContact OD1-CD 3.3Å; D511-R514 IonicContact OD1-CZ 3.17Å; D511-R514 IonicContact OD1-NE 3.39Å; D511-R514 IonicContact OD1-NH1 3.24Å; D511-R514 PolarHBondContact OD1-NH1 3.04Å; R512-R514 VanDerWaalsContact C-N 3.3Å; R512-R514 PolarHBondContact O-N 3.19Å; R514-R518 VanDerWaalsContact O-CG 3.3Å; R514-R518 WeakPolarHBondContact O-CG 3.47Å; R514-R518 PolarHBondContact O-N 2.95Å
515E88.1Confident86Confident118 Ų118104 Ų10455%0.55150%0.501SS*.Hα-helixtrans-70.5-41176-72.7177.1170.300112.1D511 R512 V513 V517 R518 A519D511-E515 WeakPolarHBondContact O-CG 3.24Å; D511-E515 PolarHBondContact O-N 2.9Å; R512-E515 PolarHBondContact O-N 2.98Å; R512-E515 VanDerWaalsContact O-N 3.1Å; V513-E515 VanDerWaalsContact C-N 3.35Å; E515-V517 VanDerWaalsContact C-N 3.34Å; E515-V517 PolarHBondContact O-N 3.44Å; E515-R518 WeakPolarHBondContact O-CB 3.45Å; E515-R518 PolarHBondContact O-N 2.93Å; E515-R518 VanDerWaalsContact O-N 3.16Å; E515-A519 WeakPolarHBondContact O-CB 3.39Å; E515-A519 PolarHBondContact O-N 2.89Å
516E87.4Confident86.1Confident125 Ų125103 Ų10358%0.58450%0.497SS*.Hα-helixtrans-60.8-41.6171.2-71.1170.4-172.800111.7R512 V513 R518 A519 T520R512-E516 WeakPolarHBondContact O-CG 3.47Å; R512-E516 PolarHBondContact O-N 2.74Å; V513-E516 PolarHBondContact O-N 3.35Å; E516-R518 PolarHBondContact O-N 3.3Å; E516-A519 PolarHBondContact O-N 2.93Å; E516-T520 WeakPolarHBondContact O-CB 3.42Å; E516-T520 WeakPolarHBondContact O-CG2 3.47Å; E516-T520 PolarHBondContact O-N 3.27Å; E516-T520 PolarHBondContact O-OG1 3Å
517V82.5Confident86.4Confident60 Ų60100.6 Ų100.636%0.36449%0.49SS..Hα-helixtrans-65.7-34.7174168.70000112V513 E515 T520 R521V513-V517 HydrophobicContact CG1-CG2 4.46Å; V513-V517 WeakPolarHBondContact O-CB 3.37Å; V513-V517 VanDerWaalsContact O-CG2 3.24Å; V513-V517 WeakPolarHBondContact O-CG2 3.34Å; V513-V517 PolarHBondContact O-N 3.39Å; E515-V517 VanDerWaalsContact C-N 3.34Å; E515-V517 PolarHBondContact O-N 3.44Å; V517-T520 WeakPolarHBondContact CA-OG1 3.46Å; V517-T520 PolarHBondContact O-OG1 3.12Å; V517-R521 WeakPolarHBondContact O-CB 3.16Å; V517-R521 WeakPolarHBondContact O-CD 3.39Å; V517-R521 WeakPolarHBondContact O-CG 3.31Å; V517-R521 PolarHBondContact O-N 3.47Å; V517-R521 VanDerWaalsContact O-N 3.14Å
518R88.9Confident86.6Confident156 Ų15697.9 Ų97.959%0.58948%0.484SS*.Hα-helixtrans-69.1-43.7171.8-72.2169.9-171.2142.7-1.2111.7R514 E515 E516 R521 A522R514-R518 VanDerWaalsContact O-CG 3.3Å; R514-R518 WeakPolarHBondContact O-CG 3.47Å; R514-R518 PolarHBondContact O-N 2.95Å; E515-R518 WeakPolarHBondContact O-CB 3.45Å; E515-R518 PolarHBondContact O-N 2.93Å; E515-R518 VanDerWaalsContact O-N 3.16Å; E516-R518 PolarHBondContact O-N 3.3Å; R518-R521 PolarHBondContact O-N 3.41Å; R518-A522 WeakPolarHBondContact O-CB 3.37Å; R518-A522 PolarHBondContact O-N 3.21Å
519A87.9Confident86.7Confident62 Ų6298.7 Ų98.751%0.51249%0.488SS..Hα-helixtrans-65.7-44.1-179.100000112E515 E516 A522 Q523E515-A519 WeakPolarHBondContact O-CB 3.39Å; E515-A519 PolarHBondContact O-N 2.89Å; E516-A519 PolarHBondContact O-N 2.93Å; A519-A522 PolarHBondContact O-N 2.87Å; A519-Q523 WeakPolarHBondContact O-CB 3.41Å; A519-Q523 PolarHBondContact O-N 2.86Å
520T85.8Confident86.9Confident91 Ų91100.8 Ų100.856%0.55849%0.493SS*.Hα-helixtrans-66-37.8175.148.40000112.5E516 V517 Q523 A524E516-T520 WeakPolarHBondContact O-CB 3.42Å; E516-T520 WeakPolarHBondContact O-CG2 3.47Å; E516-T520 PolarHBondContact O-N 3.27Å; E516-T520 PolarHBondContact O-OG1 3Å; V517-T520 WeakPolarHBondContact CA-OG1 3.46Å; V517-T520 PolarHBondContact O-OG1 3.12Å; T520-Q523 PolarHBondContact O-N 3.34Å; T520-A524 WeakPolarHBondContact O-CB 3.32Å; T520-A524 PolarHBondContact O-N 2.84Å
521R86.6Confident87.1Confident162 Ų16299.1 Ų99.161%0.61149%0.492SS*.Hα-helixtrans-62.7-48.8170.4-76.7172.9-174.9-172.31.9112.3V517 R518 Q523 A524 E525V517-R521 WeakPolarHBondContact O-CB 3.16Å; V517-R521 WeakPolarHBondContact O-CD 3.39Å; V517-R521 WeakPolarHBondContact O-CG 3.31Å; V517-R521 PolarHBondContact O-N 3.47Å; V517-R521 VanDerWaalsContact O-N 3.14Å; R518-R521 PolarHBondContact O-N 3.41Å; R521-Q523 PolarHBondContact O-N 3.08Å; R521-A524 WeakPolarHBondContact O-CB 3.31Å; R521-A524 PolarHBondContact O-N 3.46Å; R521-A524 VanDerWaalsContact O-N 3.13Å; R521-E525 WeakPolarHBondContact O-CB 3.41Å; R521-E525 WeakPolarHBondContact O-CG 3.45Å; R521-E525 PolarHBondContact O-N 3.02Å
522A87.4Confident87Confident34 Ų3499.7 Ų99.728%0.28149%0.492SS..Hα-helixtrans-61.4-33.617800000112.6R518 A519 R526R518-A522 WeakPolarHBondContact O-CB 3.37Å; R518-A522 PolarHBondContact O-N 3.21Å; A519-A522 PolarHBondContact O-N 2.87Å; A522-R526 VanDerWaalsContact O-CG 3.28Å; A522-R526 WeakPolarHBondContact O-CG 3.36Å; A522-R526 PolarHBondContact O-N 3.47Å; A522-R526 VanDerWaalsContact O-N 3.1Å
523Q88.2Confident87.1Confident108 Ų108100.5 Ų100.551%0.50550%0.495SS..Hα-helixtrans-73.6-39.2174.3-170.76118.900112.3A519 T520 R521 R526 S527A519-Q523 WeakPolarHBondContact O-CB 3.41Å; A519-Q523 PolarHBondContact O-N 2.86Å; T520-Q523 PolarHBondContact O-N 3.34Å; R521-Q523 PolarHBondContact O-N 3.08Å; Q523-R526 PolarHBondContact O-N 3.07Å; Q523-S527 PolarHBondContact O-N 3.36Å; Q523-S527 PolarHBondContact O-OG 2.86Å
524A81.9Confident87.5Confident55 Ų55101.5 Ų101.546%0.45550%0.496SS..Hα-helixtrans-62.3-46.6172.800000111.2T520 R521 R526 S527 Q528T520-A524 WeakPolarHBondContact O-CB 3.32Å; T520-A524 PolarHBondContact O-N 2.84Å; R521-A524 WeakPolarHBondContact O-CB 3.31Å; R521-A524 PolarHBondContact O-N 3.46Å; R521-A524 VanDerWaalsContact O-N 3.13Å; A524-R526 VanDerWaalsContact C-N 3.35Å; A524-R526 PolarHBondContact O-N 2.82Å; A524-S527 PolarHBondContact O-N 2.99Å; A524-S527 PolarHBondContact O-OG 3.47Å; A524-Q528 WeakPolarHBondContact O-CB 3.5Å; A524-Q528 PolarHBondContact O-N 3.06Å
525E89.3Confident87.5Confident111 Ų111100.1 Ų100.152%0.51950%0.501SS..Hα-helixtrans-56.1-45.6174.5-74.6166.1-169.800111.5R521 Q528 H529R521-E525 WeakPolarHBondContact O-CB 3.41Å; R521-E525 WeakPolarHBondContact O-CG 3.45Å; R521-E525 PolarHBondContact O-N 3.02Å; E525-Q528 WeakPolarHBondContact O-CB 3.46Å; E525-Q528 PolarHBondContact O-N 2.78Å; E525-H529 PolarHBondContact O-N 3.32Å; E525-H529 PolarHBondContact O-ND1 3.41Å
526R89.4Confident87.6Confident149 Ų149100.4 Ų100.456%0.56250%0.502SS*.Hα-helixtrans-59.6-48.4174.6-73.4167.7-173.1165.7-0.1112.3A522 Q523 A524 Q528 H529 E530A522-R526 VanDerWaalsContact O-CG 3.28Å; A522-R526 WeakPolarHBondContact O-CG 3.36Å; A522-R526 PolarHBondContact O-N 3.47Å; A522-R526 VanDerWaalsContact O-N 3.1Å; Q523-R526 PolarHBondContact O-N 3.07Å; A524-R526 VanDerWaalsContact C-N 3.35Å; A524-R526 PolarHBondContact O-N 2.82Å; R526-Q528 PolarHBondContact O-N 2.99Å; R526-H529 PolarHBondContact O-N 2.92Å; R526-E530 WeakPolarHBondContact O-CG 3.32Å; R526-E530 PolarHBondContact O-N 2.99Å
527S86.4Confident87.7Confident63 Ų6398.6 Ų98.644%0.44150%0.497SS..Hα-helixtrans-63.2-30.6178.468.80000112.9Q523 A524 A531Q523-S527 PolarHBondContact O-N 3.36Å; Q523-S527 PolarHBondContact O-OG 2.86Å; A524-S527 PolarHBondContact O-N 2.99Å; A524-S527 PolarHBondContact O-OG 3.47Å; S527-A531 WeakPolarHBondContact O-CB 3.28Å; S527-A531 PolarHBondContact O-N 2.68Å
528Q86.8Confident88.1Confident109 Ų109103.4 Ų103.451%0.50951%0.509SS..Hα-helixtrans-69-49.2172.6-179-177.2-20.400111.1A524 E525 R526 E530 A531 E532A524-Q528 WeakPolarHBondContact O-CB 3.5Å; A524-Q528 PolarHBondContact O-N 3.06Å; E525-Q528 WeakPolarHBondContact O-CB 3.46Å; E525-Q528 PolarHBondContact O-N 2.78Å; R526-Q528 PolarHBondContact O-N 2.99Å; Q528-E530 VanDerWaalsContact C-N 3.28Å; Q528-E530 PolarHBondContact O-N 3.4Å; Q528-A531 PolarHBondContact O-N 2.94Å; Q528-A531 VanDerWaalsContact O-N 3.14Å; Q528-E532 HydrophobicContact CG-CG 4.41Å; Q528-E532 WeakPolarHBondContact CG-OE1 3.36Å; Q528-E532 PolarHBondContact NE2-OE1 3.27Å; Q528-E532 WeakPolarHBondContact O-CB 3.47Å; Q528-E532 WeakPolarHBondContact O-CG 3.44Å; Q528-E532 PolarHBondContact O-N 2.93Å
529H89.1Confident88.1Confident101 Ų101104.2 Ų104.247%0.46851%0.511SS..Hα-helixtrans-62.5-34.6177.6-73.281.3000112.1E525 R526 R533E525-H529 PolarHBondContact O-N 3.32Å; E525-H529 PolarHBondContact O-ND1 3.41Å; R526-H529 PolarHBondContact O-N 2.92Å; H529-R533 VanDerWaalsContact O-CG 3.32Å; H529-R533 WeakPolarHBondContact O-CG 3.26Å; H529-R533 PolarHBondContact O-N 3.29Å
530E90.3Very high88.2Confident112 Ų112105 Ų10552%0.52351%0.51SS..Hα-helixtrans-66.9-43173.2-73.7167.2-172.300111.4R526 Q528 R533 M534R526-E530 WeakPolarHBondContact O-CG 3.32Å; R526-E530 PolarHBondContact O-N 2.99Å; Q528-E530 VanDerWaalsContact C-N 3.28Å; Q528-E530 PolarHBondContact O-N 3.4Å; E530-R533 PolarHBondContact O-N 2.92Å; E530-M534 VanDerWaalsContact O-CG 3.3Å; E530-M534 WeakPolarHBondContact O-CG 3.32Å; E530-M534 PolarHBondContact O-N 3.13Å
531A83.9Confident88.4Confident55 Ų55106.7 Ų106.746%0.45551%0.511SS..Hα-helixtrans-65.2-39174.200000112.8S527 Q528 M534 V535S527-A531 WeakPolarHBondContact O-CB 3.28Å; S527-A531 PolarHBondContact O-N 2.68Å; Q528-A531 PolarHBondContact O-N 2.94Å; Q528-A531 VanDerWaalsContact O-N 3.14Å; A531-M534 PolarHBondContact O-N 3.35Å; A531-V535 WeakPolarHBondContact O-CG2 3.3Å; A531-V535 PolarHBondContact O-N 2.91Å
532E86.8Confident88.7Confident85 Ų85106.1 Ų106.140%0.39751%0.509SS..Hα-helixtrans-62.4-47.8175.4-75.1168.4179.800111Q528 M534 V535 E536Q528-E532 HydrophobicContact CG-CG 4.41Å; Q528-E532 WeakPolarHBondContact CG-OE1 3.36Å; Q528-E532 PolarHBondContact NE2-OE1 3.27Å; Q528-E532 WeakPolarHBondContact O-CB 3.47Å; Q528-E532 WeakPolarHBondContact O-CG 3.44Å; Q528-E532 PolarHBondContact O-N 2.93Å; E532-M534 PolarHBondContact O-N 2.94Å; E532-V535 WeakPolarHBondContact O-CB 3.46Å; E532-V535 PolarHBondContact O-N 3.15Å; E532-V535 VanDerWaalsContact O-N 3.08Å; E532-E536 WeakPolarHBondContact O-CG 3.46Å; E532-E536 PolarHBondContact O-N 2.87Å
533R92.5Very high88.8Confident152 Ų152107.8 Ų107.857%0.57451%0.513SS*.Hα-helixtrans-57.7-46.6173.2-72.7174.8-166.7161.16.1112.4H529 E530 V535 E536 D537H529-R533 VanDerWaalsContact O-CG 3.32Å; H529-R533 WeakPolarHBondContact O-CG 3.26Å; H529-R533 PolarHBondContact O-N 3.29Å; E530-R533 PolarHBondContact O-N 2.92Å; R533-V535 PolarHBondContact O-N 3.29Å; R533-E536 CarbonylContact O-C 3.57Å; R533-E536 WeakPolarHBondContact O-CA 3.45Å; R533-E536 WeakPolarHBondContact O-CB 3.32Å; R533-E536 PolarHBondContact O-N 3.15Å; R533-D537 PolarHBondContact O-N 3.31Å
534M90.6Very high88.8Confident99 Ų99107.2 Ų107.249%0.48851%0.511SS..Hα-helixtrans-61.9-25.8177.3-71.7-61.7-51.100113.3E530 A531 E532 R538E530-M534 VanDerWaalsContact O-CG 3.3Å; E530-M534 WeakPolarHBondContact O-CG 3.32Å; E530-M534 PolarHBondContact O-N 3.13Å; A531-M534 PolarHBondContact O-N 3.35Å; E532-M534 PolarHBondContact O-N 2.94Å; M534-R538 WeakPolarHBondContact O-CB 3.4Å; M534-R538 WeakPolarHBondContact O-CD 3.34Å; M534-R538 VanDerWaalsContact O-CG 3.24Å; M534-R538 WeakPolarHBondContact O-CG 3.39Å; M534-R538 PolarHBondContact O-N 3.48Å
535V88.8Confident89.1Confident95 Ų95110.1 Ų110.158%0.57652%0.515SS*.Hα-helixtrans-79.6-37.1172.4169.40000111.2A531 E532 R533 R539A531-V535 WeakPolarHBondContact O-CG2 3.3Å; A531-V535 PolarHBondContact O-N 2.91Å; E532-V535 WeakPolarHBondContact O-CB 3.46Å; E532-V535 PolarHBondContact O-N 3.15Å; E532-V535 VanDerWaalsContact O-N 3.08Å; R533-V535 PolarHBondContact O-N 3.29Å; V535-R539 VanDerWaalsContact O-CB 3.28Å; V535-R539 WeakPolarHBondContact O-CB 3.41Å; V535-R539 PolarHBondContact O-N 3.4Å
536E89.1Confident89Confident124 Ų124108.8 Ų108.858%0.57951%0.507SS*.Hα-helixtrans-65.4-46.3173.8-70-178.515400111.9E532 R533 R538 R539 V540E532-E536 WeakPolarHBondContact O-CG 3.46Å; E532-E536 PolarHBondContact O-N 2.87Å; R533-E536 CarbonylContact O-C 3.57Å; R533-E536 WeakPolarHBondContact O-CA 3.45Å; R533-E536 WeakPolarHBondContact O-CB 3.32Å; R533-E536 PolarHBondContact O-N 3.15Å; E536-R538 PolarHBondContact O-N 3.21Å; E536-R539 CarbonylContact O-C 3.6Å; E536-R539 WeakPolarHBondContact O-CA 3.48Å; E536-R539 WeakPolarHBondContact O-CB 3.3Å; E536-R539 PolarHBondContact O-N 2.72Å; E536-V540 WeakPolarHBondContact O-CG2 3.45Å; E536-V540 PolarHBondContact O-N 3.37Å
537D90.2Very high89Confident88 Ų88106.8 Ų106.847%0.47150%0.504SS..Hα-helixtrans-58.5-50.3177.2-67.8-29.1000110.9R533 R539 V540 E541R533-D537 PolarHBondContact O-N 3.31Å; D537-R539 PolarHBondContact O-N 2.93Å; D537-V540 WeakPolarHBondContact O-CA 3.33Å; D537-V540 WeakPolarHBondContact O-CB 3.39Å; D537-V540 PolarHBondContact O-N 2.94Å; D537-E541 WeakPolarHBondContact O-CG 3.36Å; D537-E541 PolarHBondContact O-N 3.24Å
538R89.9Confident89.3Confident161 Ų161110.4 Ų110.461%0.60851%0.508SS*.Hα-helixtrans-60.2-31174.5-74.8174.4177.7177.90.8113.4M534 E536 W542M534-R538 WeakPolarHBondContact O-CB 3.4Å; M534-R538 WeakPolarHBondContact O-CD 3.34Å; M534-R538 VanDerWaalsContact O-CG 3.24Å; M534-R538 WeakPolarHBondContact O-CG 3.39Å; M534-R538 PolarHBondContact O-N 3.48Å; E536-R538 PolarHBondContact O-N 3.21Å; R538-W542 WeakPolarHBondContact O-CB 3.42Å; R538-W542 PolarHBondContact O-N 3.48Å
539R89.8Confident89.1Confident172 Ų172109.6 Ų109.665%0.64951%0.507SS*.Hα-helixtrans-72.9-34.5175.7-177.3-178.8-179.7-173.60.1111.3V535 E536 D537 L543V535-R539 VanDerWaalsContact O-CB 3.28Å; V535-R539 WeakPolarHBondContact O-CB 3.41Å; V535-R539 PolarHBondContact O-N 3.4Å; E536-R539 CarbonylContact O-C 3.6Å; E536-R539 WeakPolarHBondContact O-CA 3.48Å; E536-R539 WeakPolarHBondContact O-CB 3.3Å; E536-R539 PolarHBondContact O-N 2.72Å; D537-R539 PolarHBondContact O-N 2.93Å; R539-L543 HydrophobicContact CG-CD1 4.5Å; R539-L543 WeakPolarHBondContact O-CB 3.25Å; R539-L543 VanDerWaalsContact O-CG 3.24Å; R539-L543 WeakPolarHBondContact O-CG 3.44Å; R539-L543 PolarHBondContact O-N 2.91Å; R539-L543 VanDerWaalsContact O-N 3.08Å
540V90.1Very high88.9Confident78 Ų78109.3 Ų109.347%0.47351%0.506SS..Hα-helixtrans-67.2-50.1171.6174.50000110.2E536 D537 W542 L543 E544E536-V540 WeakPolarHBondContact O-CG2 3.45Å; E536-V540 PolarHBondContact O-N 3.37Å; D537-V540 WeakPolarHBondContact O-CA 3.33Å; D537-V540 WeakPolarHBondContact O-CB 3.39Å; D537-V540 PolarHBondContact O-N 2.94Å; V540-W542 VanDerWaalsContact C-N 3.29Å; V540-W542 PolarHBondContact O-N 3.46Å; V540-L543 WeakPolarHBondContact O-CB 3.4Å; V540-L543 PolarHBondContact O-N 3.34Å; V540-E544 PolarHBondContact O-N 3.39Å
541E89.4Confident88.8Confident128 Ų128109.8 Ų109.860%0.59851%0.508SS*.Hα-helixtrans-52.5-46.6175.4-69.1174.9156.700111.9D537 L543 E544 E545D537-E541 WeakPolarHBondContact O-CG 3.36Å; D537-E541 PolarHBondContact O-N 3.24Å; E541-L543 PolarHBondContact O-N 2.85Å; E541-E544 PolarHBondContact O-N 3.47Å; E541-E545 PolarHBondContact O-N 3.29Å
542W92.8Very high88.9Confident149 Ų149114.5 Ų114.556%0.56451%0.514SS*.Hα-helixtrans-64.8-36.7177179.480.4000113.3R538 V540 K546R538-W542 WeakPolarHBondContact O-CB 3.42Å; R538-W542 PolarHBondContact O-N 3.48Å; V540-W542 VanDerWaalsContact C-N 3.29Å; V540-W542 PolarHBondContact O-N 3.46Å; W542-K546 HydrophobicContact CH2-CD 3.82Å; W542-K546 HydrophobicContact CZ2-CD 4.24Å; W542-K546 HydrophobicContact CZ3-CD 4.05Å; W542-K546 WeakPolarHBondContact O-CB 3.42Å; W542-K546 PolarHBondContact O-N 3.43Å
543L88.7Confident88.8Confident69 Ų69115.6 Ų115.636%0.36152%0.519SS..Hα-helixtrans-67.9-39.9175.3-75.6169.9000111.5R539 V540 E541 K546 H547R539-L543 HydrophobicContact CG-CD1 4.5Å; R539-L543 WeakPolarHBondContact O-CB 3.25Å; R539-L543 VanDerWaalsContact O-CG 3.24Å; R539-L543 WeakPolarHBondContact O-CG 3.44Å; R539-L543 PolarHBondContact O-N 2.91Å; R539-L543 VanDerWaalsContact O-N 3.08Å; V540-L543 WeakPolarHBondContact O-CB 3.4Å; V540-L543 PolarHBondContact O-N 3.34Å; E541-L543 PolarHBondContact O-N 2.85Å; L543-K546 PolarHBondContact O-N 2.99Å; L543-H547 PolarHBondContact O-CD2 2.86Å; L543-H547 PolarHBondContact O-N 3.08Å
544E89.7Confident88.6Confident97 Ų97111 Ų11145%0.45351%0.514SS..Hα-helixtrans-64.2-46.4174.2-69.9-171.9-172.800112.2V540 E541 K546 H547 R548V540-E544 PolarHBondContact O-N 3.39Å; E541-E544 PolarHBondContact O-N 3.47Å; E544-K546 VanDerWaalsContact C-N 3.34Å; E544-K546 PolarHBondContact O-N 3.31Å; E544-H547 PolarHBondContact O-N 3.02Å; E544-R548 WeakPolarHBondContact O-CG 3.5Å; E544-R548 PolarHBondContact O-N 2.97Å; E544-R548 IonicContact OE2-NH2 3.99Å; E544-R548 PolarHBondContact OE2-NH2 2.91Å
545E87.4Confident88.5Confident116 Ų116111 Ų11154%0.54251%0.512SS..Hα-helixtrans-62.2-43.3176.6-173.7175.1-157.300111.1E541 H547 R548 L549E541-E545 PolarHBondContact O-N 3.29Å; E545-H547 VanDerWaalsContact C-N 3.34Å; E545-H547 PolarHBondContact O-N 2.99Å; E545-R548 PolarHBondContact O-N 2.85Å; E545-L549 HydrophobicContact CG-CD1 4.25Å; E545-L549 WeakPolarHBondContact O-CG 3.37Å; E545-L549 PolarHBondContact O-N 3.34Å
546K88.1Confident88.4Confident82 Ų82111.9 Ų111.936%0.35751%0.513SS..Hα-helixtrans-57.7-44.4173.8-179.6-174.2175.9-170.80111.9W542 L543 E544 L549 Q550W542-K546 HydrophobicContact CH2-CD 3.82Å; W542-K546 HydrophobicContact CZ2-CD 4.24Å; W542-K546 HydrophobicContact CZ3-CD 4.05Å; W542-K546 WeakPolarHBondContact O-CB 3.42Å; W542-K546 PolarHBondContact O-N 3.43Å; L543-K546 PolarHBondContact O-N 2.99Å; E544-K546 VanDerWaalsContact C-N 3.34Å; E544-K546 PolarHBondContact O-N 3.31Å; K546-L549 PolarHBondContact O-N 2.94Å; K546-Q550 VanDerWaalsContact O-CG 3.3Å; K546-Q550 WeakPolarHBondContact O-CG 3.46Å; K546-Q550 PolarHBondContact O-N 2.89Å
547H88.8Confident88.1Confident108 Ų108111.3 Ų111.350%0.551%0.511SS..Hα-helixtrans-62.8-46.7176.8-81.9-140.6000111.3L543 E544 E545 L549 Q550 E551L543-H547 PolarHBondContact O-CD2 2.86Å; L543-H547 PolarHBondContact O-N 3.08Å; E544-H547 PolarHBondContact O-N 3.02Å; E545-H547 VanDerWaalsContact C-N 3.34Å; E545-H547 PolarHBondContact O-N 2.99Å; H547-L549 VanDerWaalsContact C-N 3.27Å; H547-L549 PolarHBondContact O-N 2.96Å; H547-Q550 PolarHBondContact O-N 3.5Å; H547-Q550 VanDerWaalsContact O-N 3.09Å; H547-E551 WeakPolarHBondContact O-CG 3.24Å; H547-E551 PolarHBondContact O-N 3.45Å
548R91.8Very high88Confident138 Ų138112.6 Ų112.652%0.52151%0.514SS..Hα-helixtrans-59.1-36.3175.4-69.3173.7-172.7151.213.5112.7E544 E545 R552E544-R548 WeakPolarHBondContact O-CG 3.5Å; E544-R548 PolarHBondContact O-N 2.97Å; E544-R548 IonicContact OE2-NH2 3.99Å; E544-R548 PolarHBondContact OE2-NH2 2.91Å; E545-R548 PolarHBondContact O-N 2.85Å; R548-R552 VanDerWaalsContact O-CG 3.27Å; R548-R552 WeakPolarHBondContact O-CG 3.46Å; R548-R552 PolarHBondContact O-N 2.9Å; R548-R552 VanDerWaalsContact O-N 3.17Å
549L83.6Confident87.9Confident92 Ų92110.1 Ų110.148%0.48251%0.507SS..Hα-helixtrans-70.5-39.5175-70.7173.8000112E545 K546 H547 R552 E553E545-L549 HydrophobicContact CG-CD1 4.25Å; E545-L549 WeakPolarHBondContact O-CG 3.37Å; E545-L549 PolarHBondContact O-N 3.34Å; K546-L549 PolarHBondContact O-N 2.94Å; H547-L549 VanDerWaalsContact C-N 3.27Å; H547-L549 PolarHBondContact O-N 2.96Å; L549-R552 PolarHBondContact O-N 3.48Å; L549-E553 WeakPolarHBondContact O-CB 3.31Å; L549-E553 PolarHBondContact O-N 3.2Å
550Q85.3Confident87.6Confident96 Ų96109.7 Ų109.745%0.44951%0.507SS..Hα-helixtrans-66.3-38175.5-72.9177-43.800112.5K546 H547 E553 A554K546-Q550 VanDerWaalsContact O-CG 3.3Å; K546-Q550 WeakPolarHBondContact O-CG 3.46Å; K546-Q550 PolarHBondContact O-N 2.89Å; H547-Q550 PolarHBondContact O-N 3.5Å; H547-Q550 VanDerWaalsContact O-N 3.09Å; Q550-E553 PolarHBondContact O-N 2.85Å; Q550-A554 WeakPolarHBondContact O-CB 3.48Å; Q550-A554 PolarHBondContact O-N 3.28Å
551E86.8Confident87.5Confident121 Ų121108.4 Ų108.457%0.56550%0.501SS*.Hα-helixtrans-62-47.6172.8-72.1169.7168.600111.3H547 E553 A554 E555H547-E551 WeakPolarHBondContact O-CG 3.24Å; H547-E551 PolarHBondContact O-N 3.45Å; E551-E553 VanDerWaalsContact C-N 3.32Å; E551-E553 PolarHBondContact O-N 3.36Å; E551-A554 PolarHBondContact O-N 2.91Å; E551-E555 PolarHBondContact O-N 3.41Å
552R87.9Confident87.4Confident155 Ų155106.5 Ų106.559%0.58549%0.492SS*.Hα-helixtrans-61.1-39174.5-71.8170-179.3178.21.5112.4R548 L549 L556R548-R552 VanDerWaalsContact O-CG 3.27Å; R548-R552 WeakPolarHBondContact O-CG 3.46Å; R548-R552 PolarHBondContact O-N 2.9Å; R548-R552 VanDerWaalsContact O-N 3.17Å; L549-R552 PolarHBondContact O-N 3.48Å; R552-L556 WeakPolarHBondContact O-CB 3.18Å; R552-L556 VanDerWaalsContact O-CG 3.27Å; R552-L556 WeakPolarHBondContact O-CG 3.47Å; R552-L556 PolarHBondContact O-N 3.49Å
553E84.6Confident86.9Confident108 Ų108101.9 Ų101.951%0.50549%0.486SS..Hα-helixtrans-64.4-45.9175.2-163.9-171.2161.300111L549 Q550 E551 E555 L556 Q557L549-E553 WeakPolarHBondContact O-CB 3.31Å; L549-E553 PolarHBondContact O-N 3.2Å; Q550-E553 PolarHBondContact O-N 2.85Å; E551-E553 VanDerWaalsContact C-N 3.32Å; E551-E553 PolarHBondContact O-N 3.36Å; E553-E555 PolarHBondContact O-N 2.91Å; E553-L556 PolarHBondContact O-N 3.46Å; E553-L556 VanDerWaalsContact O-N 3.16Å; E553-Q557 HydrophobicContact CG-CG 4.48Å; E553-Q557 WeakPolarHBondContact O-CB 3.36Å; E553-Q557 VanDerWaalsContact O-CG 3.29Å; E553-Q557 WeakPolarHBondContact O-CG 3.44Å; E553-Q557 PolarHBondContact O-N 2.98Å; E553-Q557 PolarHBondContact OE1-NE2 3.45Å
554A86.3Confident86.8Confident56 Ų56103.7 Ų103.746%0.46349%0.491SS..Hα-helixtrans-61-42.2176.800000112.3Q550 E551 Q557 Q558Q550-A554 WeakPolarHBondContact O-CB 3.48Å; Q550-A554 PolarHBondContact O-N 3.28Å; E551-A554 PolarHBondContact O-N 2.91Å; A554-Q557 PolarHBondContact O-N 3.49Å; A554-Q558 WeakPolarHBondContact O-CB 3.38Å; A554-Q558 PolarHBondContact O-N 2.96Å
555E89.7Confident86.6Confident98 Ų98103.4 Ų103.446%0.45849%0.49SS..Hα-helixtrans-60.1-44172.2-78.7-170.1-155.200112.6E551 E553 Q558 K559E551-E555 PolarHBondContact O-N 3.41Å; E553-E555 PolarHBondContact O-N 2.91Å; E555-Q558 PolarHBondContact O-N 2.89Å; E555-K559 WeakPolarHBondContact O-CB 3.49Å; E555-K559 WeakPolarHBondContact O-CD 3.42Å; E555-K559 VanDerWaalsContact O-CG 3.27Å; E555-K559 WeakPolarHBondContact O-CG 3.43Å; E555-K559 PolarHBondContact O-N 2.82Å; E555-K559 IonicContact OE2-NZ 3.11Å; E555-K559 PolarHBondContact OE2-NZ 2.97Å
556L85.9Confident86.6Confident114 Ų114104.8 Ų104.860%0.59749%0.494SS*.Hα-helixtrans-67.4-39.7179-74.1170.7000111.3R552 E553 Q558 K559 Y560R552-L556 WeakPolarHBondContact O-CB 3.18Å; R552-L556 VanDerWaalsContact O-CG 3.27Å; R552-L556 WeakPolarHBondContact O-CG 3.47Å; R552-L556 PolarHBondContact O-N 3.49Å; E553-L556 PolarHBondContact O-N 3.46Å; E553-L556 VanDerWaalsContact O-N 3.16Å; L556-Q558 VanDerWaalsContact C-N 3.33Å; L556-Q558 PolarHBondContact O-N 3.49Å; L556-K559 PolarHBondContact O-N 2.91Å; L556-Y560 VanDerWaalsContact O-CB 3.28Å; L556-Y560 WeakPolarHBondContact O-CB 3.47Å; L556-Y560 PolarHBondContact O-N 2.85Å
557Q83.3Confident86.3Confident112 Ų112106.9 Ų106.952%0.52351%0.508SS..Hα-helixtrans-62.4-38.9172.5-70.8178.715.200111.5E553 A554 Y560 S561E553-Q557 HydrophobicContact CG-CG 4.48Å; E553-Q557 WeakPolarHBondContact O-CB 3.36Å; E553-Q557 VanDerWaalsContact O-CG 3.29Å; E553-Q557 WeakPolarHBondContact O-CG 3.44Å; E553-Q557 PolarHBondContact O-N 2.98Å; E553-Q557 PolarHBondContact OE1-NE2 3.45Å; A554-Q557 PolarHBondContact O-N 3.49Å; Q557-Y560 PolarHBondContact O-N 3.47Å; Q557-S561 PolarHBondContact O-N 3.44Å; Q557-S561 PolarHBondContact O-OG 3.43Å
558Q88.3Confident86Confident114 Ų114107 Ų10753%0.53351%0.509SS..Hα-helixtrans-68.4-42.4174.8-166.1-170.527.100112.2A554 E555 L556 Y560 S561 Q562A554-Q558 WeakPolarHBondContact O-CB 3.38Å; A554-Q558 PolarHBondContact O-N 2.96Å; E555-Q558 PolarHBondContact O-N 2.89Å; L556-Q558 VanDerWaalsContact C-N 3.33Å; L556-Q558 PolarHBondContact O-N 3.49Å; Q558-Y560 VanDerWaalsContact C-N 3.31Å; Q558-Y560 PolarHBondContact O-N 3.36Å; Q558-S561 PolarHBondContact O-N 3.25Å; Q558-S561 PolarHBondContact O-OG 3.05Å; Q558-Q562 WeakPolarHBondContact O-CB 3.34Å; Q558-Q562 VanDerWaalsContact O-CG 3.28Å; Q558-Q562 WeakPolarHBondContact O-CG 3.34Å; Q558-Q562 PolarHBondContact O-N 2.94Å
559K88.6Confident85.6Confident110 Ų110108.4 Ų108.448%0.47851%0.514SS..Hα-helixtrans-62.4-40174.2-72.7159.8-175.5159.50110.7E555 L556 A563E555-K559 WeakPolarHBondContact O-CB 3.49Å; E555-K559 WeakPolarHBondContact O-CD 3.42Å; E555-K559 VanDerWaalsContact O-CG 3.27Å; E555-K559 WeakPolarHBondContact O-CG 3.43Å; E555-K559 PolarHBondContact O-N 2.82Å; E555-K559 IonicContact OE2-NZ 3.11Å; E555-K559 PolarHBondContact OE2-NZ 2.97Å; L556-K559 PolarHBondContact O-N 2.91Å; K559-A563 WeakPolarHBondContact O-CB 3.49Å; K559-A563 PolarHBondContact O-N 3.24Å
560Y83.4Confident85.4Confident162 Ų162106.6 Ų106.664%0.63551%0.513SS*.Hα-helixtrans-65.9-44.2175.2176.6-109.2000112.8L556 Q557 Q558 A563 K564L556-Y560 VanDerWaalsContact O-CB 3.28Å; L556-Y560 WeakPolarHBondContact O-CB 3.47Å; L556-Y560 PolarHBondContact O-N 2.85Å; Q557-Y560 PolarHBondContact O-N 3.47Å; Q558-Y560 VanDerWaalsContact C-N 3.31Å; Q558-Y560 PolarHBondContact O-N 3.36Å; Y560-A563 PolarHBondContact O-N 3.49Å; Y560-K564 WeakPolarHBondContact O-CB 3.35Å; Y560-K564 PolarHBondContact O-N 3.13Å
561S86.5Confident85.1Confident51 Ų51104 Ų10436%0.35751%0.508SS..Hα-helixtrans-64.5-42.5177.2680000111.7Q557 Q558 A563 K564 E565Q557-S561 PolarHBondContact O-N 3.44Å; Q557-S561 PolarHBondContact O-OG 3.43Å; Q558-S561 PolarHBondContact O-N 3.25Å; Q558-S561 PolarHBondContact O-OG 3.05Å; S561-A563 PolarHBondContact O-N 3Å; S561-K564 WeakPolarHBondContact O-CB 3.27Å; S561-K564 PolarHBondContact O-N 3.32Å; S561-E565 PolarHBondContact O-N 3.1Å
562Q87.1Confident85Confident88 Ų88103 Ų10341%0.41151%0.51SS..Hα-helixtrans-61-41.4173.3-70.8177.218.100112.7Q558 E565 K566Q558-Q562 WeakPolarHBondContact O-CB 3.34Å; Q558-Q562 VanDerWaalsContact O-CG 3.28Å; Q558-Q562 WeakPolarHBondContact O-CG 3.34Å; Q558-Q562 PolarHBondContact O-N 2.94Å; Q562-E565 PolarHBondContact O-N 3.28Å; Q562-K566 WeakPolarHBondContact O-CB 3.26Å; Q562-K566 VanDerWaalsContact O-CG 3.32Å; Q562-K566 WeakPolarHBondContact O-CG 3.23Å; Q562-K566 PolarHBondContact O-N 3.33Å
563A83.6Confident84.8Confident53 Ų5397.9 Ų97.944%0.43850%0.501SS..Hα-helixtrans-65.4-42.9175.800000111.7K559 Y560 S561 K566 L567K559-A563 WeakPolarHBondContact O-CB 3.49Å; K559-A563 PolarHBondContact O-N 3.24Å; Y560-A563 PolarHBondContact O-N 3.49Å; S561-A563 PolarHBondContact O-N 3Å; A563-K566 PolarHBondContact O-N 2.91Å; A563-L567 WeakPolarHBondContact O-CB 3.4Å; A563-L567 PolarHBondContact O-N 2.67Å
564K85.1Confident84.6Confident107 Ų10799.5 Ų99.547%0.46551%0.508SS..Hα-helixtrans-60.9-43.1175.6-175.4178.7179.3-178.50111.8Y560 S561 L567 Q568Y560-K564 WeakPolarHBondContact O-CB 3.35Å; Y560-K564 PolarHBondContact O-N 3.13Å; S561-K564 WeakPolarHBondContact O-CB 3.27Å; S561-K564 PolarHBondContact O-N 3.32Å; K564-L567 PolarHBondContact O-N 3.24Å; K564-Q568 WeakPolarHBondContact O-CB 3.4Å; K564-Q568 VanDerWaalsContact O-CG 3.32Å; K564-Q568 WeakPolarHBondContact O-CG 3.35Å; K564-Q568 PolarHBondContact O-N 2.89Å
565E86.9Confident84.4Confident90 Ų90104.3 Ų104.342%0.42152%0.519SS..Hα-helixtrans-64-45.1173.9-79.3-169.5-143.900112.6S561 Q562 L567 Q568 R569S561-E565 PolarHBondContact O-N 3.1Å; Q562-E565 PolarHBondContact O-N 3.28Å; E565-L567 VanDerWaalsContact C-N 3.3Å; E565-L567 PolarHBondContact O-N 3.14Å; E565-Q568 PolarHBondContact O-N 3.34Å; E565-R569 WeakPolarHBondContact O-CB 3.26Å; E565-R569 VanDerWaalsContact O-CG 3.27Å; E565-R569 WeakPolarHBondContact O-CG 3.31Å; E565-R569 PolarHBondContact O-N 2.97Å; E565-R569 IonicContact OE2-CZ 3.19Å; E565-R569 IonicContact OE2-NE 2.76Å; E565-R569 IonicContact OE2-NH2 2.73Å; E565-R569 PolarHBondContact OE2-NH2 3.3Å
566K86.8Confident84.1Confident146 Ų146106.5 Ų106.564%0.63553%0.527SS*.Hα-helixtrans-58.3-43.9175.8-75.6169.3176.8173.20111.1Q562 A563 R569 A570Q562-K566 WeakPolarHBondContact O-CB 3.26Å; Q562-K566 VanDerWaalsContact O-CG 3.32Å; Q562-K566 WeakPolarHBondContact O-CG 3.23Å; Q562-K566 PolarHBondContact O-N 3.33Å; A563-K566 PolarHBondContact O-N 2.91Å; K566-R569 PolarHBondContact O-N 2.92Å; K566-A570 WeakPolarHBondContact O-CB 3.37Å; K566-A570 PolarHBondContact O-N 3.28Å
567L82.2Confident83.8Confident125 Ų125109.8 Ų109.865%0.65453%0.531SS*.Hα-helixtrans-64-42.8175.7-175.565.1000112.3A563 K564 E565 A570 A571A563-L567 WeakPolarHBondContact O-CB 3.4Å; A563-L567 PolarHBondContact O-N 2.67Å; K564-L567 PolarHBondContact O-N 3.24Å; E565-L567 VanDerWaalsContact C-N 3.3Å; E565-L567 PolarHBondContact O-N 3.14Å; L567-A570 PolarHBondContact O-N 2.88Å; L567-A571 WeakPolarHBondContact O-CB 3.38Å; L567-A571 PolarHBondContact O-N 3.37Å
568Q81.9Confident83.9Confident110 Ų110110.7 Ų110.751%0.51453%0.534SS..Hα-helixtrans-63.5-43.8175.6-76.3178.1-12.300112.2K564 E565 A570 A571 V572K564-Q568 WeakPolarHBondContact O-CB 3.4Å; K564-Q568 VanDerWaalsContact O-CG 3.32Å; K564-Q568 WeakPolarHBondContact O-CG 3.35Å; K564-Q568 PolarHBondContact O-N 2.89Å; E565-Q568 PolarHBondContact O-N 3.34Å; Q568-A570 VanDerWaalsContact C-N 3.35Å; Q568-A570 PolarHBondContact O-N 2.84Å; Q568-A571 PolarHBondContact O-N 2.86Å; Q568-V572 WeakPolarHBondContact O-CG2 3.45Å; Q568-V572 PolarHBondContact O-N 2.92Å
569R83.4Confident83.6Confident168 Ų168110.2 Ų110.263%0.63453%0.531SS*.Hα-helixtrans-61.9-42.2175.2-67.4173.2-160.9-165.77.4111.1E565 K566 V572 A573E565-R569 WeakPolarHBondContact O-CB 3.26Å; E565-R569 VanDerWaalsContact O-CG 3.27Å; E565-R569 WeakPolarHBondContact O-CG 3.31Å; E565-R569 PolarHBondContact O-N 2.97Å; E565-R569 IonicContact OE2-CZ 3.19Å; E565-R569 IonicContact OE2-NE 2.76Å; E565-R569 IonicContact OE2-NH2 2.73Å; E565-R569 PolarHBondContact OE2-NH2 3.3Å; K566-R569 PolarHBondContact O-N 2.92Å; R569-V572 PolarHBondContact O-N 2.96Å; R569-A573 WeakPolarHBondContact O-CB 3.46Å; R569-A573 PolarHBondContact O-N 3.26Å
570A79.5Confident83.2Confident55 Ų55109.8 Ų109.846%0.45553%0.531SS..Hα-helixtrans-63.1-44.3174.400000112.3K566 L567 Q568 V572 A573 Q574K566-A570 WeakPolarHBondContact O-CB 3.37Å; K566-A570 PolarHBondContact O-N 3.28Å; L567-A570 PolarHBondContact O-N 2.88Å; Q568-A570 VanDerWaalsContact C-N 3.35Å; Q568-A570 PolarHBondContact O-N 2.84Å; A570-V572 PolarHBondContact O-N 2.9Å; A570-A573 PolarHBondContact O-N 3.42Å; A570-Q574 WeakPolarHBondContact O-CB 3.36Å; A570-Q574 PolarHBondContact O-N 3.3Å
571A79.6Confident83.1Confident42 Ų42105.1 Ų105.135%0.34752%0.519SS..Hα-helixtrans-64.1-38.8177.100000112.6L567 Q568 Q574 K575L567-A571 WeakPolarHBondContact O-CB 3.38Å; L567-A571 PolarHBondContact O-N 3.37Å; Q568-A571 PolarHBondContact O-N 2.86Å; A571-Q574 PolarHBondContact O-N 3.1Å; A571-K575 WeakPolarHBondContact O-CG 3.2Å; A571-K575 PolarHBondContact O-N 2.87Å
572V83.9Confident83Confident99 Ų99105.5 Ų105.560%0.652%0.515SS*.Hα-helixtrans-66.5-42.2173.3171.30000111Q568 R569 A570 Q574 K575 K576Q568-V572 WeakPolarHBondContact O-CG2 3.45Å; Q568-V572 PolarHBondContact O-N 2.92Å; R569-V572 PolarHBondContact O-N 2.96Å; A570-V572 PolarHBondContact O-N 2.9Å; V572-Q574 VanDerWaalsContact C-N 3.33Å; V572-Q574 PolarHBondContact O-N 3.47Å; V572-K575 PolarHBondContact O-N 2.77Å; V572-K576 WeakPolarHBondContact O-CB 3.48Å; V572-K576 PolarHBondContact O-N 3.29Å
573A83.7Confident82.9Confident48 Ų48104 Ų10440%0.39751%0.51SS..Hα-helixtrans-61.9-40.1174.200000112R569 A570 K576 R577R569-A573 WeakPolarHBondContact O-CB 3.46Å; R569-A573 PolarHBondContact O-N 3.26Å; A570-A573 PolarHBondContact O-N 3.42Å; A573-K576 PolarHBondContact O-N 2.95Å; A573-R577 WeakPolarHBondContact O-CG 3.28Å; A573-R577 PolarHBondContact O-N 3.42Å
574Q80.4Confident83Confident142 Ų142109.8 Ų109.866%0.66452%0.521SS*.Hα-helixtrans-68.4-40.4176.1-169171.34.600112.2A570 A571 V572 K576 R577 K578A570-Q574 WeakPolarHBondContact O-CB 3.36Å; A570-Q574 PolarHBondContact O-N 3.3Å; A571-Q574 PolarHBondContact O-N 3.1Å; V572-Q574 VanDerWaalsContact C-N 3.33Å; V572-Q574 PolarHBondContact O-N 3.47Å; Q574-K576 VanDerWaalsContact C-N 3.33Å; Q574-K576 PolarHBondContact O-N 2.84Å; Q574-R577 PolarHBondContact O-N 3.04Å; Q574-K578 WeakPolarHBondContact O-CB 3.49Å; Q574-K578 PolarHBondContact O-N 2.93Å
575K83.1Confident82.7Confident157 Ų157110.2 Ų110.268%0.68352%0.524SS*.Hα-helixtrans-59.5-42.2170.5-76.3-179.2179.9-1760111.7A571 V572 K578 H579A571-K575 WeakPolarHBondContact O-CG 3.2Å; A571-K575 PolarHBondContact O-N 2.87Å; V572-K575 PolarHBondContact O-N 2.77Å; K575-K578 PolarHBondContact O-N 3.41Å; K575-H579 WeakPolarHBondContact O-CB 3.21Å; K575-H579 PolarHBondContact O-N 2.96Å
576K83.4Confident82.7Confident143 Ų143111.5 Ų111.562%0.62253%0.529SS*.Hα-helixtrans-64.3-42.9176.6-167.1176.8-175.5179.30111.9V572 A573 Q574 H579 Q580V572-K576 WeakPolarHBondContact O-CB 3.48Å; V572-K576 PolarHBondContact O-N 3.29Å; A573-K576 PolarHBondContact O-N 2.95Å; Q574-K576 VanDerWaalsContact C-N 3.33Å; Q574-K576 PolarHBondContact O-N 2.84Å; K576-H579 PolarHBondContact O-N 3.47Å; K576-Q580 WeakPolarHBondContact O-CG 3.4Å; K576-Q580 PolarHBondContact O-N 3.4Å
577R79.2Confident82.7Confident184 Ų184112.1 Ų112.169%0.69453%0.531SS*.Hα-helixtrans-62.3-47.5173.9-73.9177.6179.2-177.7-0.3111.7A573 Q574 H579 Q580 T581A573-R577 WeakPolarHBondContact O-CG 3.28Å; A573-R577 PolarHBondContact O-N 3.42Å; Q574-R577 PolarHBondContact O-N 3.04Å; R577-H579 PolarHBondContact O-N 2.93Å; R577-Q580 WeakPolarHBondContact O-CB 3.45Å; R577-Q580 PolarHBondContact O-N 2.82Å; R577-Q580 VanDerWaalsContact O-N 3.11Å; R577-T581 PolarHBondContact O-N 3.15Å; R577-T581 PolarHBondContact O-OG1 3.26Å
578K84.3Confident82.7Confident131 Ų131111.3 Ų111.357%0.5753%0.527SS*.Hα-helixtrans-58.3-44.8176.4176.5169.6172.11690112.1Q574 K575 Q580 T581 E582Q574-K578 WeakPolarHBondContact O-CB 3.49Å; Q574-K578 PolarHBondContact O-N 2.93Å; K575-K578 PolarHBondContact O-N 3.41Å; K578-Q580 VanDerWaalsContact C-N 3.3Å; K578-Q580 PolarHBondContact O-N 2.87Å; K578-T581 PolarHBondContact O-N 3.21Å; K578-T581 PolarHBondContact O-OG1 3.03Å; K578-E582 WeakPolarHBondContact CE-OE1 3.27Å; K578-E582 HydrophobicContact CG-CG 4.36Å; K578-E582 WeakPolarHBondContact CG-OE1 3.44Å; K578-E582 IonicContact NZ-OE1 3.64Å; K578-E582 WeakPolarHBondContact O-CB 3.41Å; K578-E582 VanDerWaalsContact O-CG 3.3Å; K578-E582 WeakPolarHBondContact O-CG 3.42Å; K578-E582 PolarHBondContact O-N 3.23Å
579H82.4Confident82.6Confident103 Ų103111 Ų11148%0.47753%0.525SS..Hα-helixtrans-65.7-34176.5-170.757.4000112.6K575 K576 R577 N583K575-H579 WeakPolarHBondContact O-CB 3.21Å; K575-H579 PolarHBondContact O-N 2.96Å; K576-H579 PolarHBondContact O-N 3.47Å; R577-H579 PolarHBondContact O-N 2.93Å; H579-N583 PolarHBondContact CD2-ND2 3.45Å; H579-N583 PolarHBondContact CE1-ND2 3.33Å; H579-N583 VanDerWaalsContact CE1-ND2 3.34Å; H579-N583 PolarHBondContact NE2-ND2 3.47Å; H579-N583 VanDerWaalsContact O-CB 3.28Å; H579-N583 WeakPolarHBondContact O-CB 3.44Å; H579-N583 PolarHBondContact O-N 2.9Å; H579-N583 PolarHBondContact O-ND2 2.82Å
580Q80.9Confident82.8Confident101 Ų101107.3 Ų107.347%0.47252%0.518SS..Hα-helixtrans-68.9-37.1173.7-74.8175.2-16.800112.9K576 R577 K578 R584K576-Q580 WeakPolarHBondContact O-CG 3.4Å; K576-Q580 PolarHBondContact O-N 3.4Å; R577-Q580 WeakPolarHBondContact O-CB 3.45Å; R577-Q580 PolarHBondContact O-N 2.82Å; R577-Q580 VanDerWaalsContact O-N 3.11Å; K578-Q580 VanDerWaalsContact C-N 3.3Å; K578-Q580 PolarHBondContact O-N 2.87Å; Q580-R584 VanDerWaalsContact O-CG 3.3Å; Q580-R584 WeakPolarHBondContact O-CG 3.38Å; Q580-R584 PolarHBondContact O-N 2.89Å; Q580-R584 VanDerWaalsContact O-N 3.14Å
581T80.2Confident83.2Confident64 Ų64111.1 Ų111.139%0.39352%0.524SS..Hα-helixtrans-70.8-47.2174.355.10000111.2R577 K578 N583 R584 E585R577-T581 PolarHBondContact O-N 3.15Å; R577-T581 PolarHBondContact O-OG1 3.26Å; K578-T581 PolarHBondContact O-N 3.21Å; K578-T581 PolarHBondContact O-OG1 3.03Å; T581-N583 VanDerWaalsContact C-N 3.27Å; T581-N583 PolarHBondContact O-N 2.93Å; T581-R584 CarbonylContact O-C 3.46Å; T581-R584 WeakPolarHBondContact O-CA 3.41Å; T581-R584 WeakPolarHBondContact O-CB 3.47Å; T581-R584 PolarHBondContact O-N 2.84Å; T581-E585 WeakPolarHBondContact O-CG 3.32Å; T581-E585 PolarHBondContact O-N 3.4Å
582E84.8Confident83.4Confident60 Ų60113 Ų11328%0.2853%0.528SS..Hα-helixtrans-55.7-39.9174.7-74.1172.6-18000112.3K578 K586K578-E582 WeakPolarHBondContact CE-OE1 3.27Å; K578-E582 HydrophobicContact CG-CG 4.36Å; K578-E582 WeakPolarHBondContact CG-OE1 3.44Å; K578-E582 IonicContact NZ-OE1 3.64Å; K578-E582 WeakPolarHBondContact O-CB 3.41Å; K578-E582 VanDerWaalsContact O-CG 3.3Å; K578-E582 WeakPolarHBondContact O-CG 3.42Å; K578-E582 PolarHBondContact O-N 3.23Å; E582-K586 WeakPolarHBondContact O-CB 3.29Å; E582-K586 VanDerWaalsContact O-CG 3.24Å; E582-K586 WeakPolarHBondContact O-CG 3.35Å; E582-K586 PolarHBondContact O-N 2.85Å
583N84.9Confident83.3Confident57 Ų57112.9 Ų112.931%0.30552%0.521SS..Hα-helixtrans-73.1-26.7176.8-73.3-17.9000113H579 T581 K587H579-N583 PolarHBondContact CD2-ND2 3.45Å; H579-N583 PolarHBondContact CE1-ND2 3.33Å; H579-N583 VanDerWaalsContact CE1-ND2 3.34Å; H579-N583 PolarHBondContact NE2-ND2 3.47Å; H579-N583 VanDerWaalsContact O-CB 3.28Å; H579-N583 WeakPolarHBondContact O-CB 3.44Å; H579-N583 PolarHBondContact O-N 2.9Å; H579-N583 PolarHBondContact O-ND2 2.82Å; T581-N583 VanDerWaalsContact C-N 3.27Å; T581-N583 PolarHBondContact O-N 2.93Å; N583-K587 VanDerWaalsContact O-CG 3.26Å; N583-K587 WeakPolarHBondContact O-CG 3.28Å; N583-K587 PolarHBondContact O-N 3.45Å
584R87.1Confident83.3Confident173 Ų173116.7 Ų116.765%0.65353%0.534SS*.Hα-helixtrans-73.5-45170.9-75170.7178.2-176.8-1110.6Q580 T581 K587 L588Q580-R584 VanDerWaalsContact O-CG 3.3Å; Q580-R584 WeakPolarHBondContact O-CG 3.38Å; Q580-R584 PolarHBondContact O-N 2.89Å; Q580-R584 VanDerWaalsContact O-N 3.14Å; T581-R584 CarbonylContact O-C 3.46Å; T581-R584 WeakPolarHBondContact O-CA 3.41Å; T581-R584 WeakPolarHBondContact O-CB 3.47Å; T581-R584 PolarHBondContact O-N 2.84Å; R584-K587 WeakPolarHBondContact O-CB 3.45Å; R584-K587 PolarHBondContact O-N 2.97Å; R584-L588 WeakPolarHBondContact O-CG 3.44Å; R584-L588 PolarHBondContact O-N 3.03Å
585E78.9Confident83.3Confident117 Ų117114.4 Ų114.455%0.54753%0.526SS..Hα-helixtrans-57.6-48.2174.6-72.4160.7-167.700111.3T581 K587 L588 H589T581-E585 WeakPolarHBondContact O-CG 3.32Å; T581-E585 PolarHBondContact O-N 3.4Å; E585-K587 VanDerWaalsContact C-N 3.34Å; E585-K587 PolarHBondContact O-N 3.09Å; E585-L588 PolarHBondContact O-N 2.83Å; E585-L588 VanDerWaalsContact O-N 3.16Å; E585-H589 WeakPolarHBondContact O-CB 3.44Å; E585-H589 PolarHBondContact O-N 3.17Å
586K86Confident83.2Confident117 Ų117111.8 Ų111.851%0.50952%0.516SS..Hα-helixtrans-58.7-41174.1-74.9166.9-178.3170.60112.9E582 H589 N590E582-K586 WeakPolarHBondContact O-CB 3.29Å; E582-K586 VanDerWaalsContact O-CG 3.24Å; E582-K586 WeakPolarHBondContact O-CG 3.35Å; E582-K586 PolarHBondContact O-N 2.85Å; K586-H589 PolarHBondContact O-N 2.85Å; K586-N590 WeakPolarHBondContact O-CB 3.42Å; K586-N590 PolarHBondContact O-N 2.96Å; K586-N590 PolarHBondContact O-OD1 3.22Å
587K86.5Confident83.1Confident158 Ų158107.5 Ų107.569%0.68751%0.507SS*.Hα-helixtrans-65.1-39.6175.4-76.4175.2-179.1-170.20112.3N583 R584 E585 K591N583-K587 VanDerWaalsContact O-CG 3.26Å; N583-K587 WeakPolarHBondContact O-CG 3.28Å; N583-K587 PolarHBondContact O-N 3.45Å; R584-K587 WeakPolarHBondContact O-CB 3.45Å; R584-K587 PolarHBondContact O-N 2.97Å; E585-K587 VanDerWaalsContact C-N 3.34Å; E585-K587 PolarHBondContact O-N 3.09Å; K587-K591 WeakPolarHBondContact O-CB 3.47Å; K587-K591 PolarHBondContact O-N 2.85Å; K587-K591 VanDerWaalsContact O-N 3.09Å
588L82Confident83.3Confident109 Ų109104.8 Ų104.857%0.57150%0.5SS*.Hα-helixtrans-68.7-42.4175.7-69.1172.1000111.4R584 E585 K591 I592R584-L588 WeakPolarHBondContact O-CG 3.44Å; R584-L588 PolarHBondContact O-N 3.03Å; E585-L588 PolarHBondContact O-N 2.83Å; E585-L588 VanDerWaalsContact O-N 3.16Å; L588-K591 CarbonylContact O-C 3.57Å; L588-K591 WeakPolarHBondContact O-CB 3.31Å; L588-K591 PolarHBondContact O-N 3.22Å; L588-K591 VanDerWaalsContact O-N 3.14Å; L588-I592 WeakPolarHBondContact O-CG1 3.14Å; L588-I592 PolarHBondContact O-N 3.46Å
589H81Confident83Confident103 Ų103102.9 Ų102.948%0.47750%0.495SS..Hα-helixtrans-62.3-46.4176.8-169.267.2000111.8E585 K586 K591 I592 Q593E585-H589 WeakPolarHBondContact O-CB 3.44Å; E585-H589 PolarHBondContact O-N 3.17Å; K586-H589 PolarHBondContact O-N 2.85Å; H589-K591 VanDerWaalsContact C-N 3.25Å; H589-K591 PolarHBondContact O-N 3.27Å; H589-I592 WeakPolarHBondContact O-CB 3.38Å; H589-I592 PolarHBondContact O-N 3.34Å; H589-I592 VanDerWaalsContact O-N 3.15Å; H589-Q593 PolarHBondContact CD2-NE2 2.99Å; H589-Q593 VanDerWaalsContact CD2-NE2 3.31Å; H589-Q593 PolarHBondContact NE2-NE2 2.88Å; H589-Q593 WeakPolarHBondContact O-CG 3.44Å; H589-Q593 PolarHBondContact O-N 3.33Å
590N86.4Confident83.1Confident90 Ų90103.9 Ų103.948%0.48150%0.5SS..Hα-helixtrans-61.9-33.3173.7-676.7000112.2K586 L594K586-N590 WeakPolarHBondContact O-CB 3.42Å; K586-N590 PolarHBondContact O-N 2.96Å; K586-N590 PolarHBondContact O-OD1 3.22Å; N590-L594 WeakPolarHBondContact O-CB 3.28Å; N590-L594 PolarHBondContact O-N 2.72Å
591K89.4Confident82.9Confident135 Ų135104.2 Ų104.259%0.58750%0.502SS*.Hα-helixtrans-72-35.9175.3-169.8176.8-178.4-177.50112K587 L588 H589 L595K587-K591 WeakPolarHBondContact O-CB 3.47Å; K587-K591 PolarHBondContact O-N 2.85Å; K587-K591 VanDerWaalsContact O-N 3.09Å; L588-K591 CarbonylContact O-C 3.57Å; L588-K591 WeakPolarHBondContact O-CB 3.31Å; L588-K591 PolarHBondContact O-N 3.22Å; L588-K591 VanDerWaalsContact O-N 3.14Å; H589-K591 VanDerWaalsContact C-N 3.25Å; H589-K591 PolarHBondContact O-N 3.27Å; K591-L595 HydrophobicContact CG-CD1 4.44Å; K591-L595 VanDerWaalsContact O-CG 3.28Å; K591-L595 WeakPolarHBondContact O-CG 3.42Å; K591-L595 PolarHBondContact O-N 2.65Å
592I81.9Confident82.8Confident83 Ų83105.8 Ų105.843%0.42651%0.507SS..Hα-helixtrans-63.2-52.2172-72.4158.7000109.5L588 H589 L594 L595 E596L588-I592 WeakPolarHBondContact O-CG1 3.14Å; L588-I592 PolarHBondContact O-N 3.46Å; H589-I592 WeakPolarHBondContact O-CB 3.38Å; H589-I592 PolarHBondContact O-N 3.34Å; H589-I592 VanDerWaalsContact O-N 3.15Å; I592-L594 VanDerWaalsContact C-N 3.29Å; I592-L594 PolarHBondContact O-N 2.71Å; I592-L595 CarbonylContact O-C 3.56Å; I592-L595 WeakPolarHBondContact O-CA 3.44Å; I592-L595 WeakPolarHBondContact O-CB 3.28Å; I592-L595 PolarHBondContact O-N 2.99Å; I592-E596 HydrophobicContact CG2-CG 4.18Å; I592-E596 VanDerWaalsContact CG2-OE1 3.32Å; I592-E596 WeakPolarHBondContact CG2-OE1 3.19Å; I592-E596 WeakPolarHBondContact O-CG 3.27Å; I592-E596 PolarHBondContact O-N 3.35Å
593Q83.6Confident82.5Confident95 Ų95109 Ų10944%0.44452%0.522SS..Hα-helixtrans-55.8-40176.2-69.7178.6-3.400113.1H589 L595 E596 A597H589-Q593 PolarHBondContact CD2-NE2 2.99Å; H589-Q593 VanDerWaalsContact CD2-NE2 3.31Å; H589-Q593 PolarHBondContact NE2-NE2 2.88Å; H589-Q593 WeakPolarHBondContact O-CG 3.44Å; H589-Q593 PolarHBondContact O-N 3.33Å; Q593-L595 VanDerWaalsContact C-N 3.33Å; Q593-L595 PolarHBondContact O-N 2.89Å; Q593-E596 WeakPolarHBondContact CA-OE2 3.49Å; Q593-E596 PolarHBondContact O-N 2.86Å; Q593-A597 WeakPolarHBondContact O-CB 3.46Å; Q593-A597 PolarHBondContact O-N 3.25Å
594L82.8Confident82.1Confident128 Ų128112.3 Ų112.367%0.6754%0.539SS*.Hα-helixtrans-66.4-32174.5-90.2162.8000113.4N590 I592 K598N590-L594 WeakPolarHBondContact O-CB 3.28Å; N590-L594 PolarHBondContact O-N 2.72Å; I592-L594 VanDerWaalsContact C-N 3.29Å; I592-L594 PolarHBondContact O-N 2.71Å; L594-K598 VanDerWaalsContact O-CB 3.31Å; L594-K598 WeakPolarHBondContact O-CB 3.36Å; L594-K598 PolarHBondContact O-N 3.25Å
595L81.1Confident81.5Confident94 Ų94108.9 Ų108.949%0.49253%0.531SS..Hα-helixtrans-78.1-39.2175.2-71.5169.2000111.2K591 I592 Q593 K598 I599K591-L595 HydrophobicContact CG-CD1 4.44Å; K591-L595 VanDerWaalsContact O-CG 3.28Å; K591-L595 WeakPolarHBondContact O-CG 3.42Å; K591-L595 PolarHBondContact O-N 2.65Å; I592-L595 CarbonylContact O-C 3.56Å; I592-L595 WeakPolarHBondContact O-CA 3.44Å; I592-L595 WeakPolarHBondContact O-CB 3.28Å; I592-L595 PolarHBondContact O-N 2.99Å; Q593-L595 VanDerWaalsContact C-N 3.33Å; Q593-L595 PolarHBondContact O-N 2.89Å; L595-K598 CarbonylContact O-C 3.55Å; L595-K598 PolarHBondContact O-N 3.49Å; L595-I599 VanDerWaalsContact O-CG1 3.29Å; L595-I599 WeakPolarHBondContact O-CG1 3.21Å; L595-I599 PolarHBondContact O-N 3.31Å
596E81.4Confident81.1Confident103 Ų103105.6 Ų105.648%0.48152%0.523SS..Hα-helixtrans-59.5-52.2173.1-70.8167.2160.600110.6I592 Q593 K598 I599 E600I592-E596 HydrophobicContact CG2-CG 4.18Å; I592-E596 VanDerWaalsContact CG2-OE1 3.32Å; I592-E596 WeakPolarHBondContact CG2-OE1 3.19Å; I592-E596 WeakPolarHBondContact O-CG 3.27Å; I592-E596 PolarHBondContact O-N 3.35Å; Q593-E596 WeakPolarHBondContact CA-OE2 3.49Å; Q593-E596 PolarHBondContact O-N 2.86Å; E596-K598 PolarHBondContact O-N 2.78Å; E596-I599 WeakPolarHBondContact O-CA 3.32Å; E596-I599 WeakPolarHBondContact O-CB 3.39Å; E596-I599 PolarHBondContact O-N 3.22Å; E596-E600 PolarHBondContact O-N 3.44Å
597A79.4Confident80.3Confident52 Ų52102.1 Ų102.143%0.4352%0.516SS..Hα-helixtrans-59.8-30.5175.100000113.1Q593 Q601Q593-A597 WeakPolarHBondContact O-CB 3.46Å; Q593-A597 PolarHBondContact O-N 3.25Å; A597-Q601 WeakPolarHBondContact O-CB 3.44Å; A597-Q601 PolarHBondContact O-N 3.05Å
598K83.9Confident79.4Confident127 Ų12796.7 Ų96.755%0.55250%0.501SS*.Hα-helixtrans-77.3-31.4175.2-167.6170.7-174.3176.80112.5L594 L595 E596 L602L594-K598 VanDerWaalsContact O-CB 3.31Å; L594-K598 WeakPolarHBondContact O-CB 3.36Å; L594-K598 PolarHBondContact O-N 3.25Å; L595-K598 CarbonylContact O-C 3.55Å; L595-K598 PolarHBondContact O-N 3.49Å; E596-K598 PolarHBondContact O-N 2.78Å; K598-L602 WeakPolarHBondContact O-CB 3.49Å; K598-L602 VanDerWaalsContact O-CG 3.26Å; K598-L602 WeakPolarHBondContact O-CG 3.35Å; K598-L602 PolarHBondContact O-N 2.85Å
599I79.5Confident78.6Confident91 Ų9194 Ų9447%0.46750%0.495SS..Hα-helixtrans-66.7-48.9169.8-70.5162.2000109.1L595 E596 Q601 L602 E603L595-I599 VanDerWaalsContact O-CG1 3.29Å; L595-I599 WeakPolarHBondContact O-CG1 3.21Å; L595-I599 PolarHBondContact O-N 3.31Å; E596-I599 WeakPolarHBondContact O-CA 3.32Å; E596-I599 WeakPolarHBondContact O-CB 3.39Å; E596-I599 PolarHBondContact O-N 3.22Å; I599-Q601 VanDerWaalsContact C-N 3.3Å; I599-Q601 PolarHBondContact O-N 2.94Å; I599-L602 CarbonylContact O-C 3.24Å; I599-L602 PolarHBondContact O-N 3.21Å; I599-E603 HydrophobicContact CG2-CG 4.3Å; I599-E603 WeakPolarHBondContact O-CG 3.25Å; I599-E603 PolarHBondContact O-N 3.37Å
600E82.4Confident77.7Confident125 Ų12594.7 Ų94.758%0.58450%0.501SS*.Hα-helixtrans-55.9-42.6174.5-70.2-178167.300112E596 E603 L604E596-E600 PolarHBondContact O-N 3.44Å; E600-E603 PolarHBondContact O-N 2.75Å; E600-L604 WeakPolarHBondContact O-CB 3.27Å; E600-L604 VanDerWaalsContact O-CG 3.29Å; E600-L604 WeakPolarHBondContact O-CG 3.35Å; E600-L604 PolarHBondContact O-N 3.21Å
601Q78.4Confident76.5Confident108 Ų10897.6 Ų97.651%0.50551%0.509SS..Hα-helixtrans-61.1-46.3174-175.1-175.7-18.500111.9A597 I599 E603 L604 E605A597-Q601 WeakPolarHBondContact O-CB 3.44Å; A597-Q601 PolarHBondContact O-N 3.05Å; I599-Q601 VanDerWaalsContact C-N 3.3Å; I599-Q601 PolarHBondContact O-N 2.94Å; Q601-E603 VanDerWaalsContact C-N 3.33Å; Q601-E603 PolarHBondContact O-N 3.47Å; Q601-L604 PolarHBondContact O-N 2.85Å; Q601-E605 WeakPolarHBondContact CG-OE1 3.41Å; Q601-E605 PolarHBondContact NE2-OE1 3.31Å; Q601-E605 WeakPolarHBondContact O-CB 3.38Å; Q601-E605 WeakPolarHBondContact O-CG 3.49Å; Q601-E605 PolarHBondContact O-N 2.86Å
602L77.6Confident75.1Confident97 Ų97100.5 Ų100.551%0.50852%0.516SS..Hα-helixtrans-66.4-33.1178.3-73.2168.3000112.4K598 I599 E605 A606K598-L602 WeakPolarHBondContact O-CB 3.49Å; K598-L602 VanDerWaalsContact O-CG 3.26Å; K598-L602 WeakPolarHBondContact O-CG 3.35Å; K598-L602 PolarHBondContact O-N 2.85Å; I599-L602 CarbonylContact O-C 3.24Å; I599-L602 PolarHBondContact O-N 3.21Å; L602-E605 PolarHBondContact O-N 3.18Å; L602-A606 VanDerWaalsContact O-CB 3.25Å; L602-A606 WeakPolarHBondContact O-CB 3.48Å; L602-A606 PolarHBondContact O-N 2.88Å
603E78.4Confident74Confident126 Ų126106.4 Ų106.459%0.58953%0.533SS*.Hα-helixtrans-68.8-40173-73.5-177.8170.900111.8I599 E600 Q601 A606 A607I599-E603 HydrophobicContact CG2-CG 4.3Å; I599-E603 WeakPolarHBondContact O-CG 3.25Å; I599-E603 PolarHBondContact O-N 3.37Å; E600-E603 PolarHBondContact O-N 2.75Å; Q601-E603 VanDerWaalsContact C-N 3.33Å; Q601-E603 PolarHBondContact O-N 3.47Å; E603-A606 PolarHBondContact O-N 2.82Å; E603-A607 VanDerWaalsContact O-CB 3.28Å; E603-A607 WeakPolarHBondContact O-CB 3.46Å; E603-A607 PolarHBondContact O-N 3.48Å
604L75.6Confident72.7Confident127 Ų127104.8 Ų104.867%0.66553%0.533SS*.Hα-helixtrans-65.6-40.1172.4-71.9170.5000111.9E600 Q601 A607 A608E600-L604 WeakPolarHBondContact O-CB 3.27Å; E600-L604 VanDerWaalsContact O-CG 3.29Å; E600-L604 WeakPolarHBondContact O-CG 3.35Å; E600-L604 PolarHBondContact O-N 3.21Å; Q601-L604 PolarHBondContact O-N 2.85Å; L604-A607 PolarHBondContact O-N 3.03Å; L604-A608 WeakPolarHBondContact O-CB 3.36Å; L604-A608 PolarHBondContact O-N 3.15Å
605E74.3Confident71.6Confident102 Ų102102.3 Ų102.348%0.47752%0.522SS..Hα-helixtrans-66-40.4173.8-74.5175.2-163.800111.7Q601 L602 A608 A609Q601-E605 WeakPolarHBondContact CG-OE1 3.41Å; Q601-E605 PolarHBondContact NE2-OE1 3.31Å; Q601-E605 WeakPolarHBondContact O-CB 3.38Å; Q601-E605 WeakPolarHBondContact O-CG 3.49Å; Q601-E605 PolarHBondContact O-N 2.86Å; L602-E605 PolarHBondContact O-N 3.18Å; E605-A608 PolarHBondContact O-N 2.92Å; E605-A609 WeakPolarHBondContact O-CB 3.28Å; E605-A609 PolarHBondContact O-N 3.43Å
606A70.4Confident70.5Confident47 Ų47104.2 Ų104.239%0.38853%0.527SS..Hα-helixtrans-65.5-43.1173.500000111.8L602 E603 A608 A609 I610L602-A606 VanDerWaalsContact O-CB 3.25Å; L602-A606 WeakPolarHBondContact O-CB 3.48Å; L602-A606 PolarHBondContact O-N 2.88Å; E603-A606 PolarHBondContact O-N 2.82Å; A606-A608 VanDerWaalsContact C-N 3.31Å; A606-A608 PolarHBondContact O-N 3.42Å; A606-A609 WeakPolarHBondContact O-CB 3.43Å; A606-A609 PolarHBondContact O-N 3.09Å; A606-I610 VanDerWaalsContact O-CG1 3.29Å; A606-I610 WeakPolarHBondContact O-CG1 3.23Å; A606-I610 PolarHBondContact O-N 3.4Å
607A70.2Confident69.4Low44 Ų44103 Ų10336%0.36453%0.53SS..Hα-helixtrans-63.3-36.9174.100000111.9E603 L604 I610 K611E603-A607 VanDerWaalsContact O-CB 3.28Å; E603-A607 WeakPolarHBondContact O-CB 3.46Å; E603-A607 PolarHBondContact O-N 3.48Å; L604-A607 PolarHBondContact O-N 3.03Å; A607-I610 PolarHBondContact O-N 2.82Å; A607-K611 WeakPolarHBondContact O-CG 3.47Å; A607-K611 PolarHBondContact O-N 2.89Å
608A67.9Low68.5Low45 Ų45106.7 Ų106.737%0.37254%0.539SS..Hα-helixtrans-67.6-38.8172.100000112.1L604 E605 A606 K611 R612L604-A608 WeakPolarHBondContact O-CB 3.36Å; L604-A608 PolarHBondContact O-N 3.15Å; E605-A608 PolarHBondContact O-N 2.92Å; A606-A608 VanDerWaalsContact C-N 3.31Å; A606-A608 PolarHBondContact O-N 3.42Å; A608-K611 PolarHBondContact O-N 3.17Å; A608-R612 WeakPolarHBondContact O-CG 3.5Å; A608-R612 PolarHBondContact O-N 3.3Å
609A64.6Low67.5Low53 Ų53105.4 Ų105.444%0.43853%0.534SS..Hα-helixtrans-66-37.5174.100000112.3E605 A606 R612 R613E605-A609 WeakPolarHBondContact O-CB 3.28Å; E605-A609 PolarHBondContact O-N 3.43Å; A606-A609 WeakPolarHBondContact O-CB 3.43Å; A606-A609 PolarHBondContact O-N 3.09Å; A609-R612 PolarHBondContact O-N 2.86Å; A609-R613 PolarHBondContact O-N 3.38Å
610I63Low66.5Low116 Ų116106 Ų10660%0.59554%0.535SS*.Hα-helixtrans-64-44.1172.5-69.4163.7000110.4A606 A607 R612 R613 S614A606-I610 VanDerWaalsContact O-CG1 3.29Å; A606-I610 WeakPolarHBondContact O-CG1 3.23Å; A606-I610 PolarHBondContact O-N 3.4Å; A607-I610 PolarHBondContact O-N 2.82Å; I610-R612 VanDerWaalsContact C-N 3.34Å; I610-R612 PolarHBondContact O-N 3.49Å; I610-R613 WeakPolarHBondContact O-CB 3.1Å; I610-R613 PolarHBondContact O-N 3.49Å; I610-R613 VanDerWaalsContact O-N 3.17Å; I610-S614 PolarHBondContact O-N 2.74Å
611K60.4Low65.6Low152 Ų152101.8 Ų101.866%0.66152%0.522SS*.Hα-helixtrans-62.4-36.5172.9-74.3176.3179.6176.90112.9A607 A608 S614 V615A607-K611 WeakPolarHBondContact O-CG 3.47Å; A607-K611 PolarHBondContact O-N 2.89Å; A608-K611 PolarHBondContact O-N 3.17Å; K611-S614 WeakPolarHBondContact CA-OG 3.34Å; K611-S614 PolarHBondContact O-N 2.91Å; K611-S614 PolarHBondContact O-OG 3.38Å; K611-V615 WeakPolarHBondContact O-CG2 3.44Å; K611-V615 PolarHBondContact O-N 3.49Å
612R61.1Low65Low196 Ų196101.7 Ų101.774%0.7452%0.521SS*.Hα-helixtrans-66.1-39172.3-72.9177.8-178.4-178.92.2111.9A608 A609 I610 V615 F616A608-R612 WeakPolarHBondContact O-CG 3.5Å; A608-R612 PolarHBondContact O-N 3.3Å; A609-R612 PolarHBondContact O-N 2.86Å; I610-R612 VanDerWaalsContact C-N 3.34Å; I610-R612 PolarHBondContact O-N 3.49Å; R612-V615 PolarHBondContact O-N 2.9Å; R612-F616 PolarHBondContact O-N 3.43Å; R612-F616 VanDerWaalsContact O-N 3.08Å
613R57.5Low64.5Low206 Ų206102.4 Ų102.478%0.77753%0.525SS*.Hα-helixtrans-64.9-36.1173.1-89.8-177.8170.4172-1.7113.1A609 I610 F616 S617A609-R613 PolarHBondContact O-N 3.38Å; I610-R613 WeakPolarHBondContact O-CB 3.1Å; I610-R613 PolarHBondContact O-N 3.49Å; I610-R613 VanDerWaalsContact O-N 3.17Å; R613-F616 PolarHBondContact O-N 2.9Å; R613-S617 WeakPolarHBondContact O-CB 3.42Å; R613-S617 PolarHBondContact O-N 3.2Å
614S56.8Low63.9Low62 Ų62102.8 Ų102.843%0.43453%0.525SS..Hα-helixtrans-67.7-40.5175.861.50000112.1I610 K611 S617 E618I610-S614 PolarHBondContact O-N 2.74Å; K611-S614 WeakPolarHBondContact CA-OG 3.34Å; K611-S614 PolarHBondContact O-N 2.91Å; K611-S614 PolarHBondContact O-OG 3.38Å; S614-S617 WeakPolarHBondContact O-CB 3.48Å; S614-S617 PolarHBondContact O-N 3.02Å; S614-E618 PolarHBondContact O-N 2.89Å
615V59.9Low63.8Low75 Ų75105.2 Ų105.246%0.45553%0.525SS..Hα-helixtrans-61.7-45.5174175.20000111.3K611 R612 S617 E618 E619K611-V615 WeakPolarHBondContact O-CG2 3.44Å; K611-V615 PolarHBondContact O-N 3.49Å; R612-V615 PolarHBondContact O-N 2.9Å; V615-S617 VanDerWaalsContact C-N 3.26Å; V615-S617 PolarHBondContact O-N 3.43Å; V615-E618 PolarHBondContact O-N 2.99Å; V615-E618 VanDerWaalsContact O-N 3.16Å; V615-E619 PolarHBondContact O-N 3.45Å
616F57.8Low63.7Low134 Ų134108.7 Ų108.759%0.58853%0.534SS*.Hα-helixtrans-60.8-33.3174.8-117.7-92.5000113.1R612 R613 Q620R612-F616 PolarHBondContact O-N 3.43Å; R612-F616 VanDerWaalsContact O-N 3.08Å; R613-F616 PolarHBondContact O-N 2.9Å; F616-Q620 WeakPolarHBondContact O-CG 3.44Å; F616-Q620 PolarHBondContact O-N 2.92Å
617S58.9Low63.6Low78 Ų78111.5 Ų111.555%0.54554%0.542SS..Hα-helixtrans-68.8-40.5175.1-171.50000112.1R613 S614 V615 Q620 A621R613-S617 WeakPolarHBondContact O-CB 3.42Å; R613-S617 PolarHBondContact O-N 3.2Å; S614-S617 WeakPolarHBondContact O-CB 3.48Å; S614-S617 PolarHBondContact O-N 3.02Å; V615-S617 VanDerWaalsContact C-N 3.26Å; V615-S617 PolarHBondContact O-N 3.43Å; S617-Q620 PolarHBondContact O-N 2.93Å; S617-A621 WeakPolarHBondContact O-CB 3.44Å; S617-A621 PolarHBondContact O-N 3.16Å
618E60.7Low63.7Low130 Ų130116.7 Ų116.761%0.60756%0.556SS**Hα-helixtrans-67.2-40.3175-70.6-171.1133.500112.2S614 V615 A621 Q622S614-E618 PolarHBondContact O-N 2.89Å; V615-E618 PolarHBondContact O-N 2.99Å; V615-E618 VanDerWaalsContact O-N 3.16Å; E618-A621 WeakPolarHBondContact O-CB 3.4Å; E618-A621 PolarHBondContact O-N 3.36Å; E618-Q622 WeakPolarHBondContact O-CG 3.36Å; E618-Q622 PolarHBondContact O-N 3.04Å
619E62Low64.1Low99 Ų99118.1 Ų118.146%0.46356%0.555SS.*Hα-helixtrans-63.1-43.7173.8-71.4-178.3166.900111.9V615 A621 Q622 L623V615-E619 PolarHBondContact O-N 3.45Å; E619-A621 VanDerWaalsContact C-N 3.29Å; E619-A621 PolarHBondContact O-N 2.99Å; E619-Q622 PolarHBondContact O-N 2.93Å; E619-L623 WeakPolarHBondContact O-CB 3.32Å; E619-L623 PolarHBondContact O-N 3.32Å
620Q57.7Low64.4Low104 Ų104121.2 Ų121.249%0.48656%0.563SS.*Hα-helixtrans-61.8-35.8171.9-77.3-166.711.400112.6F616 S617 K624F616-Q620 WeakPolarHBondContact O-CG 3.44Å; F616-Q620 PolarHBondContact O-N 2.92Å; S617-Q620 PolarHBondContact O-N 2.93Å; Q620-K624 WeakPolarHBondContact O-CB 3.3Å; Q620-K624 VanDerWaalsContact O-CG 3.32Å; Q620-K624 WeakPolarHBondContact O-CG 3.41Å; Q620-K624 PolarHBondContact O-N 3.38Å
621A63.4Low64.6Low36 Ų36120.8 Ų120.830%0.29856%0.559SS.*Hα-helixtrans-67.9-39175.300000112S617 E618 E619 K624 R625S617-A621 WeakPolarHBondContact O-CB 3.44Å; S617-A621 PolarHBondContact O-N 3.16Å; E618-A621 WeakPolarHBondContact O-CB 3.4Å; E618-A621 PolarHBondContact O-N 3.36Å; E619-A621 VanDerWaalsContact C-N 3.29Å; E619-A621 PolarHBondContact O-N 2.99Å; A621-K624 PolarHBondContact O-N 3.35Å; A621-R625 WeakPolarHBondContact O-CG 3.37Å; A621-R625 PolarHBondContact O-N 3.39Å
622Q67.4Low65.1Low106 Ų106120.2 Ų120.250%0.49555%0.553SS.*Hα-helixtrans-67.9-41.4174.5-69.4-176.62500112.2E618 E619 R625 R626E618-Q622 WeakPolarHBondContact O-CG 3.36Å; E618-Q622 PolarHBondContact O-N 3.04Å; E619-Q622 PolarHBondContact O-N 2.93Å; Q622-R625 PolarHBondContact O-N 2.94Å; Q622-R626 PolarHBondContact O-N 3.34Å
623L65.9Low65.6Low113 Ų113117.5 Ų117.559%0.59254%0.543SS*.Hα-helixtrans-61-43.8173-79.5162.7000111.7E619 R625 R626 L627E619-L623 WeakPolarHBondContact O-CB 3.32Å; E619-L623 PolarHBondContact O-N 3.32Å; L623-R625 VanDerWaalsContact C-N 3.31Å; L623-R625 PolarHBondContact O-N 3.3Å; L623-R626 PolarHBondContact O-N 3.44Å; L623-L627 WeakPolarHBondContact O-CB 3.49Å; L623-L627 PolarHBondContact O-N 3.34Å
624K66.1Low66Low134 Ų134112.6 Ų112.658%0.58353%0.528SS*.Hα-helixtrans-62.4-33.7174.3-77.7171.4178.4169.80113Q620 A621 K628Q620-K624 WeakPolarHBondContact O-CB 3.3Å; Q620-K624 VanDerWaalsContact O-CG 3.32Å; Q620-K624 WeakPolarHBondContact O-CG 3.41Å; Q620-K624 PolarHBondContact O-N 3.38Å; A621-K624 PolarHBondContact O-N 3.35Å; K624-K628 WeakPolarHBondContact O-CG 3.36Å; K624-K628 PolarHBondContact O-N 2.95Å
625R74.1Confident66.3Low178 Ų178114 Ų11467%0.67253%0.531SS*.Hα-helixtrans-68.4-46.1172.4-69.5172.4-161.1171.26.9111.5A621 Q622 L623 L627 K628 E629A621-R625 WeakPolarHBondContact O-CG 3.37Å; A621-R625 PolarHBondContact O-N 3.39Å; Q622-R625 PolarHBondContact O-N 2.94Å; L623-R625 VanDerWaalsContact C-N 3.31Å; L623-R625 PolarHBondContact O-N 3.3Å; R625-L627 VanDerWaalsContact C-N 3.33Å; R625-L627 PolarHBondContact O-N 3.37Å; R625-K628 PolarHBondContact O-N 3.04Å; R625-E629 WeakPolarHBondContact O-CB 3.44Å; R625-E629 PolarHBondContact O-N 2.95Å
626R71.3Confident66.3Low175 Ų175114.4 Ų114.466%0.6653%0.528SS*.Hα-helixtrans-62-37.6176.3-73.3-177.6176.2178.20.7112.7Q622 L623 E629 L630Q622-R626 PolarHBondContact O-N 3.34Å; L623-R626 PolarHBondContact O-N 3.44Å; R626-E629 PolarHBondContact O-N 3.41Å; R626-L630 WeakPolarHBondContact O-CB 3.43Å; R626-L630 PolarHBondContact O-N 3.47Å
627L68.3Low66.3Low105 Ų105115.5 Ų115.555%0.5553%0.533SS..Hα-helixtrans-64.7-44.1175.6-165.478.6000111.9L623 R625 L630 Q631L623-L627 WeakPolarHBondContact O-CB 3.49Å; L623-L627 PolarHBondContact O-N 3.34Å; R625-L627 VanDerWaalsContact C-N 3.33Å; R625-L627 PolarHBondContact O-N 3.37Å; L627-L630 PolarHBondContact O-N 2.97Å; L627-Q631 WeakPolarHBondContact O-CG 3.47Å; L627-Q631 PolarHBondContact O-N 3.36Å
628K73.8Confident66.1Low153 Ų153119.3 Ų119.367%0.66554%0.535SS*.Hα-helixtrans-65.3-38.4175.8-76-175.2174-1700112.7K624 R625 Q631 R632K624-K628 WeakPolarHBondContact O-CG 3.36Å; K624-K628 PolarHBondContact O-N 2.95Å; R625-K628 PolarHBondContact O-N 3.04Å; K628-Q631 PolarHBondContact O-N 2.99Å; K628-R632 WeakPolarHBondContact O-CB 3.38Å; K628-R632 PolarHBondContact O-N 3.25Å
629E75.6Confident65.7Low76 Ų76117.9 Ų117.936%0.35554%0.539SS..Hα-helixtrans-63.7-41174.4-175.369.7-165.700111.5R625 R626 R632 R633R625-E629 WeakPolarHBondContact O-CB 3.44Å; R625-E629 PolarHBondContact O-N 2.95Å; R626-E629 PolarHBondContact O-N 3.41Å; E629-R632 PolarHBondContact O-N 2.87Å; E629-R633 WeakPolarHBondContact O-CG 3.47Å; E629-R633 PolarHBondContact O-N 2.85Å; E629-R633 IonicContact OE1-CZ 3.87Å; E629-R633 IonicContact OE1-NE 3.72Å; E629-R633 PolarHBondContact OE1-NE 3.09Å; E629-R633 VanDerWaalsContact OE1-NE 3.17Å; E629-R633 IonicContact OE1-NH2 3.73Å; E629-R633 PolarHBondContact OE1-NH2 2.94Å
630L70.7Confident65.5Low117 Ų117120.4 Ų120.461%0.61356%0.555SS**Hα-helixtrans-66.5-41.3173.5-88160.9000112.7R626 L627 R633 H634R626-L630 WeakPolarHBondContact O-CB 3.43Å; R626-L630 PolarHBondContact O-N 3.47Å; L627-L630 PolarHBondContact O-N 2.97Å; L630-R633 PolarHBondContact O-N 3.38Å; L630-H634 WeakPolarHBondContact O-CB 3.42Å; L630-H634 PolarHBondContact O-N 3.33Å
631Q67.3Low65Low107 Ų107122.1 Ų122.150%0.557%0.567SS.*Hα-helixtrans-61.6-45.2173.2-75175.6-45.600111.1L627 K628 R633 H634 D635L627-Q631 WeakPolarHBondContact O-CG 3.47Å; L627-Q631 PolarHBondContact O-N 3.36Å; K628-Q631 PolarHBondContact O-N 2.99Å; Q631-R633 VanDerWaalsContact C-N 3.33Å; Q631-R633 PolarHBondContact O-N 2.75Å; Q631-H634 WeakPolarHBondContact O-CB 3.48Å; Q631-H634 PolarHBondContact O-N 2.71Å; Q631-H634 VanDerWaalsContact O-N 3.11Å; Q631-D635 PolarHBondContact O-N 2.97Å
632R71.2Confident64.1Low141 Ų141128 Ų12853%0.53259%0.593SS.*Hα-helixtrans-57.9-44.2176.2-151.2-168.198-172.29.6112K628 E629 D635 E636K628-R632 WeakPolarHBondContact O-CB 3.38Å; K628-R632 PolarHBondContact O-N 3.25Å; E629-R632 PolarHBondContact O-N 2.87Å; R632-D635 PolarHBondContact O-N 2.87Å; R632-E636 IonicContact CZ-OE1 3.36Å; R632-E636 IonicContact NE-OE1 2.8Å; R632-E636 PolarHBondContact NE-OE1 3.42Å; R632-E636 IonicContact NH2-OE1 2.68Å; R632-E636 PolarHBondContact NH2-OE1 3.01Å; R632-E636 IonicContact NH2-OE2 3.9Å; R632-E636 WeakPolarHBondContact O-CB 3.36Å; R632-E636 WeakPolarHBondContact O-CG 3.27Å; R632-E636 PolarHBondContact O-N 3.04Å
633R71.9Confident62.5Low139 Ų139129.5 Ų129.553%0.52561%0.614SS.*Hα-helixtrans-68.8-31.8176.6-69.8175.3-166.4-1642.4113.2E629 L630 Q631 F637E629-R633 WeakPolarHBondContact O-CG 3.47Å; E629-R633 PolarHBondContact O-N 2.85Å; E629-R633 IonicContact OE1-CZ 3.87Å; E629-R633 IonicContact OE1-NE 3.72Å; E629-R633 PolarHBondContact OE1-NE 3.09Å; E629-R633 VanDerWaalsContact OE1-NE 3.17Å; E629-R633 IonicContact OE1-NH2 3.73Å; E629-R633 PolarHBondContact OE1-NH2 2.94Å; L630-R633 PolarHBondContact O-N 3.38Å; Q631-R633 VanDerWaalsContact C-N 3.33Å; Q631-R633 PolarHBondContact O-N 2.75Å; R633-F637 WeakPolarHBondContact O-CB 3.32Å; R633-F637 PolarHBondContact O-N 2.64Å
634H66.3Low61.1Low102 Ų102127.1 Ų127.147%0.47262%0.618SS.*Hα-helixtrans-71.8-36.6175.2-166.869.3000111.9L630 Q631 F637 R638L630-H634 WeakPolarHBondContact O-CB 3.42Å; L630-H634 PolarHBondContact O-N 3.33Å; Q631-H634 WeakPolarHBondContact O-CB 3.48Å; Q631-H634 PolarHBondContact O-N 2.71Å; Q631-H634 VanDerWaalsContact O-N 3.11Å; H634-F637 PolarHBondContact O-N 3.35Å; H634-R638 PolarHBondContact CD2-NH1 2.86Å; H634-R638 VanDerWaalsContact NE2-CZ 3.33Å; H634-R638 PolarHBondContact NE2-NH2 3.11Å; H634-R638 WeakPolarHBondContact O-CG 3.37Å; H634-R638 PolarHBondContact O-N 3.09Å
635D61.2Low59.6Low92 Ų92130.4 Ų130.449%0.49264%0.635SS.*Hα-helixtrans-74.9-35.8174.3-64.7-29.5000111.5Q631 R632 R638 S639Q631-D635 PolarHBondContact O-N 2.97Å; R632-D635 PolarHBondContact O-N 2.87Å; D635-R638 PolarHBondContact O-N 3.26Å; D635-R638 IonicContact OD1-NH1 3.22Å; D635-S639 WeakPolarHBondContact O-CB 3.37Å; D635-S639 PolarHBondContact O-N 3.33Å
636E61.8Low57.6Low84 Ų84125.5 Ų125.539%0.39364%0.64SS.*Hα-helixtrans-62.6-38.3168.1-74.8165.8178.100112R632 S639R632-E636 IonicContact CZ-OE1 3.36Å; R632-E636 IonicContact NE-OE1 2.8Å; R632-E636 PolarHBondContact NE-OE1 3.42Å; R632-E636 IonicContact NH2-OE1 2.68Å; R632-E636 PolarHBondContact NH2-OE1 3.01Å; R632-E636 IonicContact NH2-OE2 3.9Å; R632-E636 WeakPolarHBondContact O-CB 3.36Å; R632-E636 WeakPolarHBondContact O-CG 3.27Å; R632-E636 PolarHBondContact O-N 3.04Å; E636-S639 WeakPolarHBondContact O-CB 3.35Å; E636-S639 PolarHBondContact O-N 3.45Å
637F56.7Low56.2Low157 Ų157123 Ų12369%0.68965%0.646SS**Hα-helixtrans-68.7-38.5172.7-109.9-90.5000112.8R633 H634 S639 L640R633-F637 WeakPolarHBondContact O-CB 3.32Å; R633-F637 PolarHBondContact O-N 2.64Å; H634-F637 PolarHBondContact O-N 3.35Å; F637-S639 VanDerWaalsContact C-N 3.29Å; F637-S639 PolarHBondContact O-N 3.29Å; F637-L640 PolarHBondContact O-N 2.69Å
638R54.4Low54.5Low158 Ų158122.9 Ų122.960%0.59666%0.66SS**Hα-helixtrans-65-34173.5-78.8170.6164.2166.1-5112.2H634 D635 L640H634-R638 PolarHBondContact CD2-NH1 2.86Å; H634-R638 VanDerWaalsContact NE2-CZ 3.33Å; H634-R638 PolarHBondContact NE2-NH2 3.11Å; H634-R638 WeakPolarHBondContact O-CG 3.37Å; H634-R638 PolarHBondContact O-N 3.09Å; D635-R638 PolarHBondContact O-N 3.26Å; D635-R638 IonicContact OD1-NH1 3.22Å; R638-L640 PolarHBondContact O-N 3.43Å
639S52.4Low52.4Low99 Ų99122.9 Ų122.969%0.69267%0.667SS**THydrogen-bonded Turntrans-65.1-15.8177.2-172.20000114.5D635 E636 F637D635-S639 WeakPolarHBondContact O-CB 3.37Å; D635-S639 PolarHBondContact O-N 3.33Å; E636-S639 WeakPolarHBondContact O-CB 3.35Å; E636-S639 PolarHBondContact O-N 3.45Å; F637-S639 VanDerWaalsContact C-N 3.29Å; F637-S639 PolarHBondContact O-N 3.29Å
640L57.3Low50.2Low152 Ų152126.7 Ų126.780%0.79669%0.687SS**THydrogen-bonded Turntrans-103.9-4.9-175.3-83.8168.1000115F637 R638F637-L640 PolarHBondContact O-N 2.69Å; R638-L640 PolarHBondContact O-N 3.43Å
641L48.3Very low48Very low141 Ų141126.9 Ų126.974%0.73869%0.693SS**THydrogen-bonded Turntrans-117.4-15.2-174.5-86.6165.2000115.9
642L44.3Very low46.1Very low160 Ų160126.5 Ų126.584%0.83870%0.702SS**  trans-139.291.2-177.5-71.1173.5000113
643S34.6Very low44.1Very low136 Ų136130 Ų13095%0.95172%0.715SS**  trans-80.3109.5161.3155.40000109.8
644G35Very low42.1Very low64 Ų64130.5 Ų130.566%0.6673%0.727SS**SBendtrans130.9110.2161.300000116.2
645Q35Very low40.3Very low203 Ų203130.1 Ų130.195%0.94974%0.736SS**  trans57.8117.3153.5-61.2177.2-7.900118.8
646G32.8Very low38.8Very low75 Ų75134 Ų13477%0.77376%0.756SS**  trans-96.1-161.3162.900000112.4
647P41.7Very low37.2Very low123 Ų123133.2 Ų133.280%0.79977%0.77SS**  cis-126148.4-3.737.7-22.5000115.4
648A32.4Very low36Very low102 Ų102131.4 Ų131.484%0.84377%0.771SS**  trans39.7107.5147.900000120.9
649L30Very low34.8Very low153 Ų153132.4 Ų132.480%0.80178%0.783SS**  trans-113.8148.3145.3-108.888.2000109.5
650M29Very low33.7Very low156 Ų156131 Ų13177%0.76878%0.783SS**  trans34.9143.7132.4-50.7-53169.600119.2
651T25.3Very low32.5Very low121 Ų121134.7 Ų134.774%0.74279%0.787SS**  cis-172.2145.6182.40000109.4
652S27Very low32Very low98 Ų98134.6 Ų134.669%0.68579%0.787SS**  41.5134.3125-131.60000123.9
653R28.1Very low31.5Very low215 Ų215131.5 Ų131.581%0.81178%0.784SS**  trans86.7124.2141.9-79.8176.4-178.7-1680.2123.1
654L31.6Very low32Very low150 Ų150129.3 Ų129.379%0.78577%0.774SS**  trans69.1150134-60.8170.7000117.9
655S28.5Very low32.5Very low94 Ų94132.9 Ų132.966%0.65778%0.778SS**  cis-174.5169.6-8.544.40000111.5
656L29.7Very low33.2Very low174 Ų174130.1 Ų130.191%0.91177%0.769SS**  trans86.7143.3145.9-136.174000121.1
657G27Very low34.1Very low66 Ų66134.7 Ų134.768%0.6877%0.77SS**  trans136.192173.400000112.4
658V30.7Very low34.7Very low119 Ų119131 Ų13172%0.72176%0.755SS**  69.7124.266-178.80000110.2
659E29.5Very low35.8Very low180 Ų180133 Ų13384%0.84175%0.746SS**  cis-160.1157.816.2-141.2158.4-134.900113.5
660G29.7Very low36.9Very low68 Ų68133 Ų13370%0.70174%0.74SS**  trans57.2120.9139.300000123.8
661R33Very low38.7Very low230 Ų230128.4 Ų128.487%0.86872%0.724SS**  179.8137.1107.5-98.8-176.2168.2-155.9-3115
662L36.1Very low40.7Very low140 Ų140127.9 Ų127.973%0.73372%0.716SS**  trans54.4102.8138.7-57.1171000121
663A34.3Very low42.7Very low95 Ų95128.2 Ų128.279%0.78571%0.709SS**  53.9138109.100000122.8
664A45.5Very low44.8Very low90 Ų90123.5 Ų123.574%0.74470%0.696SS**  trans84.2154157.900000119.2
665D44.7Very low46.9Very low138 Ų138125.1 Ų125.174%0.73869%0.692SS**  trans73.945.5165.9-56.8-11.4000120.1
666L50.7Low49.1Very low146 Ų146129 Ų12976%0.76469%0.692SS**SBendtrans-128-15.9160.1-75.6175.5000116.3
667E50.7Low51.3Low171 Ų171126 Ų12680%0.79968%0.676SS**Hα-helixtrans-85.7-22.7171.9-68.2-178.8151.200112.7S671E667-S671 WeakPolarHBondContact O-CB 3.48Å; E667-S671 PolarHBondContact O-N 2.92Å; E667-S671 PolarHBondContact O-OG 3.1Å
668G55.3Low53.7Low46 Ų46127.3 Ų127.347%0.47467%0.665SS.*Hα-helixtrans-65.2-47.117700000112.4S671 L672G668-S671 PolarHBondContact O-N 3.26Å; G668-L672 VanDerWaalsContact O-CB 3.26Å; G668-L672 WeakPolarHBondContact O-CB 3.47Å; G668-L672 PolarHBondContact O-N 2.89Å
669E54.6Low56Low142 Ų142124.8 Ų124.866%0.66465%0.653SS**Hα-helixtrans-67-39.4-177.8-62.8-161.3146.600112.5L672 L673E669-L672 PolarHBondContact O-N 2.97Å; E669-L673 WeakPolarHBondContact O-CB 3.36Å; E669-L673 PolarHBondContact O-N 3.35Å
670F55Low58.4Low154 Ų154120.9 Ų120.968%0.67564%0.637SS**Hα-helixtrans-65.9-43.8176.8-128.8-88.7000111.6L672 L673 Q674F670-L672 VanDerWaalsContact C-N 3.28Å; F670-L672 PolarHBondContact O-N 3.38Å; F670-L673 PolarHBondContact O-N 2.89Å; F670-Q674 WeakPolarHBondContact O-CB 3.47Å; F670-Q674 PolarHBondContact O-N 3.3Å
671S65.4Low60.8Low59 Ų59123.4 Ų123.441%0.41363%0.631SS.*Hα-helixtrans-62.6-34.5174.9-56.40000112.7E667 G668 R675E667-S671 WeakPolarHBondContact O-CB 3.48Å; E667-S671 PolarHBondContact O-N 2.92Å; E667-S671 PolarHBondContact O-OG 3.1Å; G668-S671 PolarHBondContact O-N 3.26Å; S671-R675 PolarHBondContact O-N 3.32Å; S671-R675 VanDerWaalsContact O-N 3.07Å
672L68Low63.1Low110 Ų110116.7 Ų116.758%0.57661%0.612SS**Hα-helixtrans-78.9-32.2179.1-151.2148.6000111.5G668 E669 F670 R676G668-L672 VanDerWaalsContact O-CB 3.26Å; G668-L672 WeakPolarHBondContact O-CB 3.47Å; G668-L672 PolarHBondContact O-N 2.89Å; E669-L672 PolarHBondContact O-N 2.97Å; F670-L672 VanDerWaalsContact C-N 3.28Å; F670-L672 PolarHBondContact O-N 3.38Å; L672-R676 WeakPolarHBondContact O-CB 3.4Å; L672-R676 PolarHBondContact O-N 2.95Å; L672-R676 VanDerWaalsContact O-N 3.17Å
673L69.2Low65Low106 Ų106112 Ų11256%0.55559%0.594SS**Hα-helixtrans-66.8-43.2169.6-144.283000111.1E669 F670 R676 L677E669-L673 WeakPolarHBondContact O-CB 3.36Å; E669-L673 PolarHBondContact O-N 3.35Å; F670-L673 PolarHBondContact O-N 2.89Å; L673-R676 CarbonylContact O-C 3.53Å; L673-R676 PolarHBondContact O-N 2.93Å; L673-L677 PolarHBondContact O-N 3.2Å
674Q72.6Confident66.8Low115 Ų115112.8 Ų112.854%0.53758%0.581SS.*Hα-helixtrans-65.6-48.1-178.8-160164.912.500111.5F670 R676 L677 E678F670-Q674 WeakPolarHBondContact O-CB 3.47Å; F670-Q674 PolarHBondContact O-N 3.3Å; Q674-R676 PolarHBondContact O-N 3.03Å; Q674-L677 PolarHBondContact O-N 3.43Å; Q674-E678 WeakPolarHBondContact O-CG 3.34Å; Q674-E678 PolarHBondContact O-N 3.01Å
675R74Confident68.1Low185 Ų185113.6 Ų113.670%0.69857%0.569SS**Hα-helixtrans-59.9-30.4171.1-77.4-175.4-172.9146.57.1113.9S671 S679S671-R675 PolarHBondContact O-N 3.32Å; S671-R675 VanDerWaalsContact O-N 3.07Å; R675-S679 VanDerWaalsContact O-CB 3.3Å; R675-S679 WeakPolarHBondContact O-CB 3.36Å; R675-S679 PolarHBondContact O-N 3.33Å; R675-S679 PolarHBondContact O-OG 2.94Å
676R75.2Confident69.4Low175 Ų175112.8 Ų112.866%0.6656%0.561SS**Hα-helixtrans-82.7-24.5-178.3-164.6172.6-170.91792.3112.3L672 L673 Q674 S679 L680L672-R676 WeakPolarHBondContact O-CB 3.4Å; L672-R676 PolarHBondContact O-N 2.95Å; L672-R676 VanDerWaalsContact O-N 3.17Å; L673-R676 CarbonylContact O-C 3.53Å; L673-R676 PolarHBondContact O-N 2.93Å; Q674-R676 PolarHBondContact O-N 3.03Å; R676-S679 WeakPolarHBondContact CA-OG 3.25Å; R676-S679 PolarHBondContact O-OG 3.07Å; R676-L680 WeakPolarHBondContact O-CB 3.41Å; R676-L680 PolarHBondContact O-N 3.42Å
677L76.1Confident70.2Confident110 Ų110111.6 Ų111.658%0.57655%0.552SS**Hα-helixtrans-72.7-51.2164.4-95151.3000110.6L673 Q674 S679 L680 E681L673-L677 PolarHBondContact O-N 3.2Å; Q674-L677 PolarHBondContact O-N 3.43Å; L677-S679 VanDerWaalsContact C-N 3.29Å; L677-S679 PolarHBondContact O-N 3.29Å; L677-L680 WeakPolarHBondContact O-CA 3.25Å; L677-L680 WeakPolarHBondContact O-CB 3.5Å; L677-L680 PolarHBondContact O-N 2.91Å; L677-E681 WeakPolarHBondContact O-CB 3.36Å; L677-E681 PolarHBondContact O-N 2.91Å
678E78.5Confident71.2Confident94 Ų94109.3 Ų109.344%0.43954%0.544SS..Hα-helixtrans-56.9-40175.3-71.7168.6175.500111.9Q674 L680 E681 N682Q674-E678 WeakPolarHBondContact O-CG 3.34Å; Q674-E678 PolarHBondContact O-N 3.01Å; E678-L680 VanDerWaalsContact C-N 3.32Å; E678-L680 PolarHBondContact O-N 3.22Å; E678-E681 PolarHBondContact O-N 3.16Å; E678-N682 WeakPolarHBondContact O-CB 3.36Å; E678-N682 PolarHBondContact O-N 3.06Å; E678-N682 PolarHBondContact O-ND2 3.43Å
679S77.7Confident71.9Confident67 Ų67113.9 Ų113.947%0.46955%0.553SS.*Hα-helixtrans-70.2-28.1175.171.40000113.3R675 R676 L677 A683R675-S679 VanDerWaalsContact O-CB 3.3Å; R675-S679 WeakPolarHBondContact O-CB 3.36Å; R675-S679 PolarHBondContact O-N 3.33Å; R675-S679 PolarHBondContact O-OG 2.94Å; R676-S679 WeakPolarHBondContact CA-OG 3.25Å; R676-S679 PolarHBondContact O-OG 3.07Å; L677-S679 VanDerWaalsContact C-N 3.29Å; L677-S679 PolarHBondContact O-N 3.29Å; S679-A683 VanDerWaalsContact O-CB 3.22Å; S679-A683 WeakPolarHBondContact O-CB 3.49Å; S679-A683 PolarHBondContact O-N 3.3Å; S679-A683 VanDerWaalsContact O-N 3.1Å
680L81.2Confident72.4Confident98 Ų98113.2 Ų113.251%0.51355%0.55SS.*Hα-helixtrans-75.7-39.6176-151.794.7000110.8R676 L677 E678 A683 Q684R676-L680 WeakPolarHBondContact O-CB 3.41Å; R676-L680 PolarHBondContact O-N 3.42Å; L677-L680 WeakPolarHBondContact O-CA 3.25Å; L677-L680 WeakPolarHBondContact O-CB 3.5Å; L677-L680 PolarHBondContact O-N 2.91Å; E678-L680 VanDerWaalsContact C-N 3.32Å; E678-L680 PolarHBondContact O-N 3.22Å; L680-A683 PolarHBondContact O-N 3.06Å; L680-Q684 WeakPolarHBondContact O-CB 3.4Å; L680-Q684 WeakPolarHBondContact O-CG 3.42Å; L680-Q684 PolarHBondContact O-N 3.35Å
681E80.1Confident72.8Confident120 Ų120111.5 Ų111.556%0.56155%0.547SS*.Hα-helixtrans-67-46.6177.3-169.1167.1-152.600110.9L677 E678 A683 Q684 Q685L677-E681 WeakPolarHBondContact O-CB 3.36Å; L677-E681 PolarHBondContact O-N 2.91Å; E678-E681 PolarHBondContact O-N 3.16Å; E681-A683 VanDerWaalsContact C-N 3.33Å; E681-A683 PolarHBondContact O-N 3.11Å; E681-Q684 PolarHBondContact O-N 3.14Å; E681-Q685 PolarHBondContact O-N 3.28Å
682N80.6Confident72.7Confident90 Ų90110.3 Ų110.348%0.48154%0.544SS..Hα-helixtrans-60-39.7171.2-79.7-74000112.3E678 Q685 Q686E678-N682 WeakPolarHBondContact O-CB 3.36Å; E678-N682 PolarHBondContact O-N 3.06Å; E678-N682 PolarHBondContact O-ND2 3.43Å; N682-Q685 PolarHBondContact O-N 3.32Å; N682-Q686 WeakPolarHBondContact O-CB 3.38Å; N682-Q686 WeakPolarHBondContact O-CG 3.36Å; N682-Q686 PolarHBondContact O-N 2.96Å
683A76.2Confident72.2Confident42 Ų42108 Ų10835%0.34754%0.538SS..Hα-helixtrans-68.3-34.8176.200000112.6S679 L680 E681 Q687S679-A683 VanDerWaalsContact O-CB 3.22Å; S679-A683 WeakPolarHBondContact O-CB 3.49Å; S679-A683 PolarHBondContact O-N 3.3Å; S679-A683 VanDerWaalsContact O-N 3.1Å; L680-A683 PolarHBondContact O-N 3.06Å; E681-A683 VanDerWaalsContact C-N 3.33Å; E681-A683 PolarHBondContact O-N 3.11Å; A683-Q687 WeakPolarHBondContact O-CB 3.42Å; A683-Q687 WeakPolarHBondContact O-CG 3.28Å; A683-Q687 PolarHBondContact O-N 2.92Å
684Q70.9Confident71.5Confident111 Ų111109 Ų10952%0.51954%0.543SS..Hα-helixtrans-72.6-36174.5-76.3179.9-15.500112.2L680 E681 Q687 L688L680-Q684 WeakPolarHBondContact O-CB 3.4Å; L680-Q684 WeakPolarHBondContact O-CG 3.42Å; L680-Q684 PolarHBondContact O-N 3.35Å; E681-Q684 PolarHBondContact O-N 3.14Å; Q684-Q687 PolarHBondContact O-N 3.04Å; Q684-L688 WeakPolarHBondContact O-CG 3.49Å; Q684-L688 PolarHBondContact O-N 3.09Å
685Q74Confident70.5Confident106 Ų106108.8 Ų108.850%0.49555%0.549SS..Hα-helixtrans-66.8-42.5171.5-82.1170.2-34.100111.9E681 N682 Q687 L688 E689E681-Q685 PolarHBondContact O-N 3.28Å; N682-Q685 PolarHBondContact O-N 3.32Å; Q685-Q687 VanDerWaalsContact C-N 3.34Å; Q685-Q687 PolarHBondContact O-N 3.08Å; Q685-L688 PolarHBondContact O-N 2.71Å; Q685-L688 VanDerWaalsContact O-N 3.11Å; Q685-E689 WeakPolarHBondContact O-CG 3.48Å; Q685-E689 PolarHBondContact O-N 2.9Å
686Q71.9Confident69.4Low121 Ų121107.5 Ų107.557%0.56555%0.551SS**Hα-helixtrans-61.5-40.3173-75.1175-5.500112.2N682 L688 E689 E690N682-Q686 WeakPolarHBondContact O-CB 3.38Å; N682-Q686 WeakPolarHBondContact O-CG 3.36Å; N682-Q686 PolarHBondContact O-N 2.96Å; Q686-L688 VanDerWaalsContact C-N 3.31Å; Q686-L688 PolarHBondContact O-N 3.38Å; Q686-E689 PolarHBondContact O-N 2.94Å; Q686-E690 WeakPolarHBondContact O-CB 3.42Å; Q686-E690 WeakPolarHBondContact O-CG 3.48Å; Q686-E690 PolarHBondContact O-N 3.14Å
687Q67.9Low68Low122 Ų122108.1 Ų108.157%0.5756%0.558SS**Hα-helixtrans-66.6-29.7173.9-75.8-177.3-20.600113.3A683 Q684 Q685 L691A683-Q687 WeakPolarHBondContact O-CB 3.42Å; A683-Q687 WeakPolarHBondContact O-CG 3.28Å; A683-Q687 PolarHBondContact O-N 2.92Å; Q684-Q687 PolarHBondContact O-N 3.04Å; Q685-Q687 VanDerWaalsContact C-N 3.34Å; Q685-Q687 PolarHBondContact O-N 3.08Å; Q687-L691 WeakPolarHBondContact O-CB 3.45Å; Q687-L691 WeakPolarHBondContact O-CD1 3.43Å; Q687-L691 VanDerWaalsContact O-CG 3.25Å; Q687-L691 WeakPolarHBondContact O-CG 3.32Å; Q687-L691 PolarHBondContact O-N 3.17Å; Q687-L691 VanDerWaalsContact O-N 3.17Å
688L70.6Confident66.6Low123 Ų123111.7 Ų111.764%0.64457%0.572SS**Hα-helixtrans-75.4-36172.9-77.1167.4000112.4Q684 Q685 Q686 L691 G692Q684-L688 WeakPolarHBondContact O-CG 3.49Å; Q684-L688 PolarHBondContact O-N 3.09Å; Q685-L688 PolarHBondContact O-N 2.71Å; Q685-L688 VanDerWaalsContact O-N 3.11Å; Q686-L688 VanDerWaalsContact C-N 3.31Å; Q686-L688 PolarHBondContact O-N 3.38Å; L688-L691 PolarHBondContact O-N 3.34Å; L688-G692 PolarHBondContact O-N 3.4Å
689E70.8Confident65.1Low141 Ų141115.3 Ų115.366%0.65959%0.589SS**Hα-helixtrans-70.1-37.3173.4-71.9-178.8161.600112.3Q685 Q686 G692 S693Q685-E689 WeakPolarHBondContact O-CG 3.48Å; Q685-E689 PolarHBondContact O-N 2.9Å; Q686-E689 PolarHBondContact O-N 2.94Å; E689-G692 PolarHBondContact O-N 2.91Å; E689-S693 VanDerWaalsContact O-CB 3.28Å; E689-S693 WeakPolarHBondContact O-CB 3.4Å; E689-S693 PolarHBondContact O-N 3.1Å; E689-S693 PolarHBondContact O-OG 3.09Å
690E65.1Low63.5Low129 Ų129119.7 Ų119.760%0.60361%0.607SS**Hα-helixtrans-65.2-38.1172.4-76-176.9167.600112.1Q686 S693 L694Q686-E690 WeakPolarHBondContact O-CB 3.42Å; Q686-E690 WeakPolarHBondContact O-CG 3.48Å; Q686-E690 PolarHBondContact O-N 3.14Å; E690-S693 PolarHBondContact O-OG 3.37Å; E690-L694 PolarHBondContact O-N 3.41Å
691L63.3Low61.5Low117 Ų117124.2 Ų124.261%0.61363%0.625SS**Hα-helixtrans-72.9-37.8174-71.9170.4000112.4Q687 L688 V695Q687-L691 WeakPolarHBondContact O-CB 3.45Å; Q687-L691 WeakPolarHBondContact O-CD1 3.43Å; Q687-L691 VanDerWaalsContact O-CG 3.25Å; Q687-L691 WeakPolarHBondContact O-CG 3.32Å; Q687-L691 PolarHBondContact O-N 3.17Å; Q687-L691 VanDerWaalsContact O-N 3.17Å; L688-L691 PolarHBondContact O-N 3.34Å; L691-V695 WeakPolarHBondContact O-CG2 3.47Å; L691-V695 PolarHBondContact O-N 3.18Å
692G62.2Low59.8Low34 Ų34123.4 Ų123.435%0.35163%0.631SS.*Hα-helixtrans-67.2-39.7175.800000113.4L688 E689 V695 Q696L688-G692 PolarHBondContact O-N 3.4Å; E689-G692 PolarHBondContact O-N 2.91Å; G692-V695 PolarHBondContact O-N 3.29Å; G692-Q696 PolarHBondContact O-N 3.39Å; G692-Q696 VanDerWaalsContact O-N 3.17Å
693S57.9Low58.3Low62 Ų62125.2 Ų125.243%0.43465%0.647SS.*Hα-helixtrans-75.2-19.917958.80000114E689 E690E689-S693 VanDerWaalsContact O-CB 3.28Å; E689-S693 WeakPolarHBondContact O-CB 3.4Å; E689-S693 PolarHBondContact O-N 3.1Å; E689-S693 PolarHBondContact O-OG 3.09Å; E690-S693 PolarHBondContact O-OG 3.37Å
694L54.3Low56.5Low126 Ų126132.4 Ų132.466%0.6667%0.671SS**Hα-helixtrans-69.9-43165.4-112.780.9000111.7E690 Q696 K697E690-L694 PolarHBondContact O-N 3.41Å; L694-Q696 VanDerWaalsContact C-N 3.27Å; L694-Q696 PolarHBondContact O-N 2.7Å; L694-K697 PolarHBondContact O-N 2.95Å; L694-K697 VanDerWaalsContact O-N 3.14Å
695V52.9Low54.8Low112 Ų112135.8 Ų135.868%0.67969%0.686SS**Hα-helixtrans-67.2-27.6-179.8174.50000112.1L691 G692L691-V695 WeakPolarHBondContact O-CG2 3.47Å; L691-V695 PolarHBondContact O-N 3.18Å; G692-V695 PolarHBondContact O-N 3.29Å
696Q49.1Very low53.4Low158 Ų158138.3 Ų138.374%0.73870%0.703SS**THydrogen-bonded Turntrans-84.4-2.8174.8-71.9-179.6-18.400114.6G692 L694G692-Q696 PolarHBondContact O-N 3.39Å; G692-Q696 VanDerWaalsContact O-N 3.17Å; L694-Q696 VanDerWaalsContact C-N 3.27Å; L694-Q696 PolarHBondContact O-N 2.7Å
697K47.7Very low52.3Low187 Ų187137.6 Ų137.681%0.81371%0.709SS**THydrogen-bonded Turntrans-101.4-1.4178.4-95.7-178.3176.81740115.7L694L694-K697 PolarHBondContact O-N 2.95Å; L694-K697 VanDerWaalsContact O-N 3.14Å
698E44.7Very low50.8Low185 Ų185139 Ų13986%0.86472%0.72SS**SBendtrans-96.14.9172.5-74.5-168146.100113.8
699H47.3Very low49.5Very low170 Ų170139.2 Ų139.279%0.78773%0.726SS**SBendtrans-112.60.7-172-121.9-38.6000117.6
700D45Very low47.9Very low160 Ų160138.1 Ų138.186%0.85673%0.734SS**  trans-121.181177.5-86.8-39.3000112.8
701E39.3Very low46.7Very low192 Ų192139 Ų13990%0.89774%0.743SS**  trans-140.1142147.2-109.4-161.7145.400110.5
702P44.5Very low46.2Very low104 Ų104139.2 Ų139.268%0.67575%0.751SS**  trans-89.5157.9-161.635-36.9000114.9
703P49.3Very low45.2Very low127 Ų127144.3 Ų144.383%0.82578%0.775SS**  trans-78.2143-173.832.1-36.2000113.4
704K37.8Very low44.7Very low193 Ų193146.9 Ų146.984%0.83979%0.788SS**  trans-139.4102.5167.5-76.2-173.7178.5172.50112.9
705H35.8Very low44.3Very low183 Ų183147.9 Ų147.985%0.84779%0.794SS**  trans35.3109.3144.6-80.8-77.8000120.4
706D43Very low44Very low159 Ų159149.2 Ų149.285%0.8580%0.797SS**  trans-64.6150.2137.8-72.6-45.6000110.7
707P49.8Very low43.5Very low105 Ų105153.5 Ų153.568%0.68282%0.824SS**  -141.8145.7127.834.8-20.3000115.3
708L37.4Very low43.3Very low152 Ų152151.9 Ų151.980%0.79682%0.824SS**  trans78.396.5149.2-63.6160.7000120.2
709T41.3Very low43.3Very low127 Ų127150.1 Ų150.178%0.77982%0.822SS**  -0.8130.8120.450.70000118.2
710S38.2Very low43Very low118 Ų118149 Ų14983%0.82582%0.824SS**  trans-154.2152.7140.341.30000111.3
711D40Very low42.9Very low149 Ų149148.4 Ų148.480%0.79782%0.822SS**  trans-81.1165.1-157.6-67.3-67.6000116.8
712P51.7Low43.2Very low121 Ų121145.6 Ų145.679%0.78682%0.818SS**  trans-74.9138.9165.432.4-34.6000111.7
713V42.6Very low43.1Very low140 Ų140148.4 Ų148.485%0.84883%0.827SS**  trans-109.1127.9172.1175.10000110.4
714T46.5Very low42.6Very low116 Ų116149.9 Ų149.971%0.71283%0.827SS**  trans-111.5143.6169.244.50000110.3
715L45.7Very low43Very low148 Ų148146.6 Ų146.678%0.77583%0.826SS**  trans69.2137.5160.6-61.5162.2000114.8
716D46.5Very low43.6Very low140 Ų140143.6 Ų143.675%0.74983%0.825SS**  cis-157.3141.526.2-91.6-41.1000111
717L40.4Very low43.6Very low248 Ų248142.2 Ų142.2100%1.29882%0.822SS**  trans174.40135.6-100.8161.5000111.4

Retrieved 717 of 717 residues in 654.7 ms (Link to these results)