A0A077ZHH4_TRITR Loading...

Wiskott-Aldrich syndrome protein family member

Downstream effector molecule involved in the transmission of signals from tyrosine kinase receptors and small GTPases to the actin cytoskeleton. Promotes formation of actin filaments. Part of the WAVE complex that regulates lamellipodia formation. The WAVE complex regulates actin filament reorganization via its interaction with the Arp2/3 complex.

AlphaFold DB , UniProt , Accession A0A077ZHH4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 480 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M46.4Very low79.6Confident225 Ų22598.5 Ų98.5100%1.10855%0.549SS*.  0153.90-64.1-161.9-63.300108.5V3M1-V3 PolarHBondContact O-N 3.14Å
2P72.9Confident80.4Confident127 Ų12793 Ų9383%0.82553%0.531SS*.  trans-61.4133.116628-34000109.4T4P2-T4 PolarHBondContact O-N 3.29Å
3V67.8Low81Confident105 Ų10588.8 Ų88.864%0.63651%0.506SS*.  trans-82.9106.4172.1-178.90000107.5M1 K5 M123M1-V3 PolarHBondContact O-N 3.14Å; V3-K5 PolarHBondContact O-N 3.18Å; V3-K5 VanDerWaalsContact O-N 3.14Å; V3-M123 HydrophobicContact CG1-CE 4.08Å; V3-M123 HydrophobicContact CG1-SD 3.8Å
4T78.2Confident81.4Confident93 Ų9387.8 Ų87.857%0.57151%0.507SS*.  trans-53.5117171-52.10000108.7P2 R6 R126P2-T4 PolarHBondContact O-N 3.29Å; T4-R6 WeakPolarHBondContact CG2-O 2.88Å; T4-R126 PolarHBondContact O-NH1 3.29Å; T4-R126 PolarHBondContact O-NH2 3.5Å
5K79.1Confident81.7Confident108 Ų10896.9 Ų96.947%0.4753%0.529SS..SBendtrans-67.9-39.1-175.8-74.1-172.1174.6-1740113.7V3 M123 R126V3-K5 PolarHBondContact O-N 3.18Å; V3-K5 VanDerWaalsContact O-N 3.14Å; K5-M123 HydrophobicContact CG-SD 4.28Å; K5-M123 WeakPolarHBondContact O-CE 3.24Å; K5-R126 PolarHBondContact O-NH2 2.86Å
6R85.5Confident81.5Confident50 Ų5099.8 Ų99.819%0.18954%0.538CS..  trans-133.7124.9-166.5-70.8178.1171.2111.813.2108.5T4 H48 D51 E55 A122T4-R6 WeakPolarHBondContact CG2-O 2.88Å; R6-H48 HydrophobicContact CB-CB 4.5Å; R6-H48 VanDerWaalsContact CB-CD2 3.41Å; R6-H48 WeakPolarHBondContact CB-CD2 3.42Å; R6-D51 IonicContact CZ-OD1 3.51Å; R6-D51 IonicContact CZ-OD2 3.44Å; R6-D51 IonicContact NE-OD2 2.67Å; R6-D51 PolarHBondContact NE-OD2 2.8Å; R6-D51 IonicContact NH2-OD1 2.64Å; R6-D51 PolarHBondContact NH2-OD1 3.23Å; R6-D51 IonicContact NH2-OD2 3.42Å; R6-D51 PolarHBondContact NH2-OD2 3.01Å; R6-E55 IonicContact CZ-OE1 2.75Å; R6-E55 IonicContact CZ-OE2 3.97Å; R6-E55 VanDerWaalsContact CZ-OE2 3.32Å; R6-E55 IonicContact NH1-OE1 2.71Å; R6-E55 IonicContact NH1-OE2 2.68Å; R6-E55 PolarHBondContact NH1-OE2 3.35Å; R6-E55 IonicContact NH2-OE1 3.03Å; R6-E55 PolarHBondContact NH2-OE1 3.23Å; R6-E55 IonicContact NH2-OE2 3.13Å; R6-E55 PolarHBondContact NH2-OE2 2.86Å; R6-A122 HydrophobicContact CG-CB 3.74Å
7D88.3Confident81.5Confident68 Ų68107.1 Ų107.136%0.36456%0.556SS.*  trans-124.5116.7-170.955.6-51.8000112.2S9 H48 R126D7-S9 PolarHBondContact O-N 2.81Å; D7-H48 PolarHBondContact O-CE1 3.34Å; D7-R126 VanDerWaalsContact CB-NH2 3.32Å; D7-R126 IonicContact OD1-CZ 2.63Å; D7-R126 IonicContact OD1-NE 2.65Å; D7-R126 PolarHBondContact OD1-NE 2.99Å; D7-R126 IonicContact OD1-NH2 2.68Å; D7-R126 PolarHBondContact OD1-NH2 2.94Å; D7-R126 IonicContact OD2-NE 2.87Å
8I90.6Very high81.6Confident72 Ų72103.6 Ų103.637%0.36954%0.538SS..  trans-71.4120.6-177.4-55.3173.1000109.5Q41 L45I8-Q41 HydrophobicContact CG2-CB 3.76Å; I8-Q41 HydrophobicContact CG2-CG 3.87Å; I8-L45 HydrophobicContact CD1-CD1 4.07Å
9S88Confident81.7Confident70 Ų70101.3 Ų101.349%0.4953%0.53SS..SBendtrans-114.2142.5-179.6-172.90000110.7D7 S44D7-S9 PolarHBondContact O-N 2.81Å; S9-S44 PolarHBondContact N-OG 2.93Å; S9-S44 VanDerWaalsContact N-OG 3.16Å; S9-S44 VanDerWaalsContact O-CB 3.22Å; S9-S44 WeakPolarHBondContact O-CB 3.19Å
10P91.3Very high81.7Confident34 Ų34102.4 Ų102.422%0.22154%0.544CS..SBendcis-78.9149.20.332.5-36.7000113.2N37 R40 Q41P10-N37 HydrophobicContact CG-CB 3.91Å; P10-R40 HydrophobicContact CG-CB 4.29Å; P10-Q41 HydrophobicContact CG-CG 4.5Å; P10-Q41 WeakPolarHBondContact O-CG 3.23Å; P10-Q41 PolarHBondContact O-NE2 2.98Å
11V87.6Confident81.9Confident131 Ų131102.2 Ų102.279%0.79455%0.55SS**SBendtrans-87.8137.1170.5-178.30000109.7
12G88.9Confident83.6Confident33 Ų3393.1 Ų93.134%0.3451%0.508SS..  trans86.241.6174.700000115.4S14 R15G12-S14 VanDerWaalsContact C-N 3.3Å; G12-S14 PolarHBondContact O-N 2.98Å; G12-R15 WeakPolarHBondContact O-CB 3.36Å; G12-R15 PolarHBondContact O-N 3.24Å
13L88.7Confident83.8Confident39 Ų3997.4 Ų97.420%0.20451%0.507CS..THydrogen-bonded Turntrans-18.1-57178.5-65.9171.8000117.6T34 N37 L38 Q41L13-T34 HydrophobicContact CB-CG2 4.22Å; L13-N37 HydrophobicContact CD2-CB 3.66Å; L13-N37 PolarHBondContact O-ND2 3.19Å; L13-L38 HydrophobicContact CD1-CD2 3.5Å; L13-L38 HydrophobicContact CD1-CG 3.87Å; L13-L38 HydrophobicContact CD2-CB 4.48Å; L13-L38 HydrophobicContact CD2-CD2 4.12Å; L13-L38 HydrophobicContact CD2-CG 3.95Å; L13-L38 HydrophobicContact CG-CD2 4.46Å; L13-Q41 VanDerWaalsContact CD2-CD 3.43Å; L13-Q41 HydrophobicContact CD2-CG 3.84Å
14S86.5Confident84.4Confident74 Ų7497.1 Ų97.152%0.51751%0.506SS..THydrogen-bonded Turntrans-103.56.2-172.7560000114.8G12 T34G12-S14 VanDerWaalsContact C-N 3.3Å; G12-S14 PolarHBondContact O-N 2.98Å; S14-T34 WeakPolarHBondContact CB-OG1 3.48Å
15R85.6Confident84.8Confident224 Ų22499.5 Ų99.585%0.84551%0.51SS*.  trans-90.811.9-175.4-67.4-173.4169.9-172.4-3.4114.6G12G12-R15 WeakPolarHBondContact O-CB 3.36Å; G12-R15 PolarHBondContact O-N 3.24Å
16H79.5Confident85.3Confident144 Ų14499.7 Ų99.767%0.66751%0.513SS*.PPolyproline II helixtrans-74.1134.6179.2-166.269.4000111L18H16-L18 PolarHBondContact O-N 3.09Å
17R81.1Confident85.5Confident224 Ų224104.3 Ų104.385%0.84554%0.541SS*.PPolyproline II helixtrans-70125.8170.6169.8-179.6-86.8-153.1-4.2108.6
18L82.7Confident85.7Confident44 Ų44107.3 Ų107.323%0.2355%0.553CS.*PPolyproline II helixtrans-60140.7175.1-69.7176.6000111.8H16 E26 C29 V30H16-L18 PolarHBondContact O-N 3.09Å; L18-E26 HydrophobicContact CD1-CB 3.65Å; L18-E26 HydrophobicContact CD1-CG 3.78Å; L18-C29 HydrophobicContact CD2-CB 3.93Å; L18-V30 HydrophobicContact CD1-CG2 4.03Å; L18-V30 HydrophobicContact CD2-CG2 3.83Å; L18-V30 HydrophobicContact CG-CG2 4.08Å
19P83.8Confident85.6Confident59 Ų59106.3 Ų106.338%0.38355%0.551SS.*PPolyproline II helixtrans-61.7141.6171.1-22.734.1000111.6S21 V22P19-S21 PolarHBondContact O-N 3.04Å; P19-V22 PolarHBondContact O-N 3.07Å
20P81.3Confident85.8Confident124 Ų124105.5 Ų105.581%0.80554%0.543SS*.THydrogen-bonded Turntrans-69.71.5-177.630.2-37000114.7
21S86Confident85.9Confident98 Ų98106.8 Ų106.869%0.68555%0.554SS**THydrogen-bonded Turntrans-79.2-24.6168.149.30000113P19 R23P19-S21 PolarHBondContact O-N 3.04Å; S21-R23 PolarHBondContact O-N 2.97Å
22V81.6Confident86.1Confident35 Ų35105.6 Ų105.621%0.21254%0.542CS..  trans-78.1113.8176.9-1740000108.1P19 T24 E26 C29P19-V22 PolarHBondContact O-N 3.07Å; V22-T24 VanDerWaalsContact CG1-O 3.28Å; V22-T24 WeakPolarHBondContact CG1-O 3.45Å; V22-E26 HydrophobicContact CG1-CG 4.13Å; V22-C29 HydrophobicContact CG1-CB 4.25Å
23R76.8Confident86.3Confident217 Ų217105.4 Ų105.482%0.81954%0.541SS*.  trans-123.8-8179.3-63.8-179.2-179.6171-1.1113.4S21S21-R23 PolarHBondContact O-N 2.97Å
24T80.5Confident86.6Confident99 Ų99105 Ų10561%0.60754%0.54SS*.SBendtrans-137.2159.4176.848.70000106.9V22 E26V22-T24 VanDerWaalsContact CG1-O 3.28Å; V22-T24 WeakPolarHBondContact CG1-O 3.45Å; T24-E26 PolarHBondContact O-N 3.21Å; T24-E26 VanDerWaalsContact O-N 3.08Å
25E87.2Confident87Confident142 Ų142106 Ų10666%0.66454%0.539SS*.  trans5826.9171.8-65.6147.1-172.600114.9L27 E28 C29E25-L27 PolarHBondContact O-N 3.13Å; E25-L27 VanDerWaalsContact O-N 3.14Å; E25-E28 HydrophobicContact CB-CB 4.33Å; E25-E28 PolarHBondContact O-N 3.48Å; E25-C29 PolarHBondContact O-N 2.75Å
26E89.9Confident87.5Confident112 Ų11297.1 Ų97.152%0.52351%0.514SS..Hα-helixtrans-49.6-42.6178-69.2-170.2173.500112.8L18 V22 T24 E28 C29 V30L18-E26 HydrophobicContact CD1-CB 3.65Å; L18-E26 HydrophobicContact CD1-CG 3.78Å; V22-E26 HydrophobicContact CG1-CG 4.13Å; T24-E26 PolarHBondContact O-N 3.21Å; T24-E26 VanDerWaalsContact O-N 3.08Å; E26-E28 PolarHBondContact O-N 3.27Å; E26-C29 WeakPolarHBondContact O-CB 3.44Å; E26-C29 PolarHBondContact O-N 3.42Å; E26-V30 WeakPolarHBondContact O-CG2 3.32Å; E26-V30 PolarHBondContact O-N 3.31Å
27L90.6Very high88.2Confident148 Ų14891.5 Ų91.578%0.77549%0.489SS*.Hα-helixtrans-64.7-38.2178.8-179.861000112.5E25 S31E25-L27 PolarHBondContact O-N 3.13Å; E25-L27 VanDerWaalsContact O-N 3.14Å; L27-S31 VanDerWaalsContact O-CB 3.24Å; L27-S31 WeakPolarHBondContact O-CB 3.35Å; L27-S31 PolarHBondContact O-N 3.15Å
28E90.9Very high89Confident130 Ų13084 Ų8461%0.60747%0.465SS*.Hα-helixtrans-70.1-40.4175.5-172173.9155.700110.5E25 E26 V30 S31 N32E25-E28 HydrophobicContact CB-CB 4.33Å; E25-E28 PolarHBondContact O-N 3.48Å; E26-E28 PolarHBondContact O-N 3.27Å; E28-V30 PolarHBondContact O-N 3.37Å; E28-S31 PolarHBondContact O-N 2.92Å; E28-N32 VanDerWaalsContact O-CB 3.27Å; E28-N32 WeakPolarHBondContact O-CB 3.39Å; E28-N32 PolarHBondContact O-N 3.33Å
29C89.6Confident89.6Confident51 Ų5187.5 Ų87.535%0.34548%0.483SS..Hα-helixtrans-60.5-44.4174.4-166.60000112.1L18 V22 E25 E26 G33L18-C29 HydrophobicContact CD2-CB 3.93Å; V22-C29 HydrophobicContact CG1-CB 4.25Å; E25-C29 PolarHBondContact O-N 2.75Å; E26-C29 WeakPolarHBondContact O-CB 3.44Å; E26-C29 PolarHBondContact O-N 3.42Å; C29-G33 PolarHBondContact O-N 3.15Å
30V92.3Very high90.2Very high53 Ų5391.9 Ų91.932%0.32149%0.492SS..Hα-helixtrans-65-42.1173.6173.80000111.5L18 E26 E28 T34L18-V30 HydrophobicContact CD1-CG2 4.03Å; L18-V30 HydrophobicContact CD2-CG2 3.83Å; L18-V30 HydrophobicContact CG-CG2 4.08Å; E26-V30 WeakPolarHBondContact O-CG2 3.32Å; E26-V30 PolarHBondContact O-N 3.31Å; E28-V30 PolarHBondContact O-N 3.37Å; V30-T34 VanDerWaalsContact O-CB 3.26Å; V30-T34 WeakPolarHBondContact O-CB 3.46Å; V30-T34 PolarHBondContact O-N 2.85Å; V30-T34 PolarHBondContact O-OG1 3.43Å
31S92.5Very high90.9Very high62 Ų6288.2 Ų88.243%0.43446%0.463SS..Hα-helixtrans-63.4-52.1179.5-174.30000111.7L27 E28 G33 T34 L35L27-S31 VanDerWaalsContact O-CB 3.24Å; L27-S31 WeakPolarHBondContact O-CB 3.35Å; L27-S31 PolarHBondContact O-N 3.15Å; E28-S31 PolarHBondContact O-N 2.92Å; S31-G33 PolarHBondContact O-N 3.46Å; S31-T34 WeakPolarHBondContact O-CB 3.33Å; S31-T34 PolarHBondContact O-N 3.22Å; S31-T34 VanDerWaalsContact O-N 3.13Å; S31-L35 WeakPolarHBondContact O-CG 3.28Å; S31-L35 PolarHBondContact O-N 3.44Å
32N93Very high91.4Very high105 Ų10588.6 Ų88.656%0.56146%0.457SS*.Hα-helixtrans-62.9-42.5177.3-170.11.7000111.4E28 T34 L35 A36E28-N32 VanDerWaalsContact O-CB 3.27Å; E28-N32 WeakPolarHBondContact O-CB 3.39Å; E28-N32 PolarHBondContact O-N 3.33Å; N32-T34 VanDerWaalsContact C-N 3.31Å; N32-T34 PolarHBondContact O-N 2.83Å; N32-L35 PolarHBondContact O-N 3.09Å; N32-A36 WeakPolarHBondContact O-CB 3.26Å; N32-A36 PolarHBondContact O-N 3.02Å
33G92.9Very high92.1Very high30 Ų3090.9 Ų90.931%0.30948%0.475SS..Hα-helixtrans-60.2-38.2172.500000113.3C29 S31 N37C29-G33 PolarHBondContact O-N 3.15Å; S31-G33 PolarHBondContact O-N 3.46Å; G33-N37 WeakPolarHBondContact O-CB 3.24Å; G33-N37 PolarHBondContact O-N 3.45Å; G33-N37 PolarHBondContact O-ND2 3.17Å
34T94.3Very high93Very high30 Ų3081.7 Ų81.718%0.18444%0.444CS..Hα-helixtrans-66.8-43.4175-60.30000111.2L13 S14 V30 S31 N32 N37 L38L13-T34 HydrophobicContact CB-CG2 4.22Å; S14-T34 WeakPolarHBondContact CB-OG1 3.48Å; V30-T34 VanDerWaalsContact O-CB 3.26Å; V30-T34 WeakPolarHBondContact O-CB 3.46Å; V30-T34 PolarHBondContact O-N 2.85Å; V30-T34 PolarHBondContact O-OG1 3.43Å; S31-T34 WeakPolarHBondContact O-CB 3.33Å; S31-T34 PolarHBondContact O-N 3.22Å; S31-T34 VanDerWaalsContact O-N 3.13Å; N32-T34 VanDerWaalsContact C-N 3.31Å; N32-T34 PolarHBondContact O-N 2.83Å; T34-N37 PolarHBondContact O-N 3.31Å; T34-L38 HydrophobicContact CG2-CD1 4.31Å; T34-L38 WeakPolarHBondContact O-CG 3.2Å; T34-L38 PolarHBondContact O-N 3.11Å
35L95.8Very high93.7Very high95 Ų9581 Ų8150%0.49744%0.436SS..Hα-helixtrans-64.1-44.9175.2-70.9170.2000112.3S31 N32 N37 L38 I39S31-L35 WeakPolarHBondContact O-CG 3.28Å; S31-L35 PolarHBondContact O-N 3.44Å; N32-L35 PolarHBondContact O-N 3.09Å; L35-N37 VanDerWaalsContact C-N 3.29Å; L35-N37 PolarHBondContact O-N 3.24Å; L35-L38 HydrophobicContact CD2-CD1 4.38Å; L35-L38 WeakPolarHBondContact O-CB 3.19Å; L35-L38 PolarHBondContact O-N 2.95Å; L35-L38 VanDerWaalsContact O-N 3.16Å; L35-I39 WeakPolarHBondContact O-CG1 3.38Å; L35-I39 PolarHBondContact O-N 3.33Å
36A94.5Very high94.1Very high38 Ų3877.9 Ų77.931%0.31443%0.43SS..Hα-helixtrans-61.6-37.8175.100000112N32 R40N32-A36 WeakPolarHBondContact O-CB 3.26Å; N32-A36 PolarHBondContact O-N 3.02Å; A36-R40 WeakPolarHBondContact O-CG 3.34Å; A36-R40 PolarHBondContact O-N 3.13Å; A36-R40 VanDerWaalsContact O-N 3.11Å
37N95.5Very high94.3Very high26 Ų2675.1 Ų75.114%0.13943%0.427CS..Hα-helixtrans-72.5-32.3174.5-71.7-24.8000112.7P10 L13 G33 T34 L35 R40 Q41P10-N37 HydrophobicContact CG-CB 3.91Å; L13-N37 HydrophobicContact CD2-CB 3.66Å; L13-N37 PolarHBondContact O-ND2 3.19Å; G33-N37 WeakPolarHBondContact O-CB 3.24Å; G33-N37 PolarHBondContact O-N 3.45Å; G33-N37 PolarHBondContact O-ND2 3.17Å; T34-N37 PolarHBondContact O-N 3.31Å; L35-N37 VanDerWaalsContact C-N 3.29Å; L35-N37 PolarHBondContact O-N 3.24Å; N37-R40 PolarHBondContact O-N 2.82Å; N37-R40 PolarHBondContact OD1-NH1 3.21Å; N37-R40 VanDerWaalsContact OD1-NH1 3.11Å; N37-Q41 WeakPolarHBondContact O-CG 3.43Å; N37-Q41 PolarHBondContact O-N 3.4Å
38L96.5Very high94.5Very high66 Ų6669.9 Ų69.935%0.34640%0.398SS..Hα-helixtrans-64.3-44171.1-81.5164.2000111.5L13 T34 L35 R40 Q41 L42L13-L38 HydrophobicContact CD1-CD2 3.5Å; L13-L38 HydrophobicContact CD1-CG 3.87Å; L13-L38 HydrophobicContact CD2-CB 4.48Å; L13-L38 HydrophobicContact CD2-CD2 4.12Å; L13-L38 HydrophobicContact CD2-CG 3.95Å; L13-L38 HydrophobicContact CG-CD2 4.46Å; T34-L38 HydrophobicContact CG2-CD1 4.31Å; T34-L38 WeakPolarHBondContact O-CG 3.2Å; T34-L38 PolarHBondContact O-N 3.11Å; L35-L38 HydrophobicContact CD2-CD1 4.38Å; L35-L38 WeakPolarHBondContact O-CB 3.19Å; L35-L38 PolarHBondContact O-N 2.95Å; L35-L38 VanDerWaalsContact O-N 3.16Å; L38-R40 VanDerWaalsContact C-N 3.29Å; L38-R40 PolarHBondContact O-N 3.08Å; L38-Q41 WeakPolarHBondContact O-CB 3.32Å; L38-Q41 PolarHBondContact O-N 2.83Å; L38-Q41 VanDerWaalsContact O-N 3.15Å; L38-L42 WeakPolarHBondContact O-CG 3.47Å; L38-L42 PolarHBondContact O-N 3.03Å
39I96.3Very high94.7Very high118 Ų11865.4 Ų65.461%0.60538%0.383SS*.Hα-helixtrans-61.4-39.4175.4-67.3163.4000110.7L35 L42 S43L35-I39 WeakPolarHBondContact O-CG1 3.38Å; L35-I39 PolarHBondContact O-N 3.33Å; I39-L42 PolarHBondContact O-N 3.01Å; I39-S43 PolarHBondContact O-N 3.32Å
40R95.8Very high95Very high151 Ų15170.1 Ų70.157%0.5740%0.4SS*.Hα-helixtrans-64.8-41.8172.5-71.3166.9171.4161.6-4.2112.7P10 A36 N37 L38 L42 S43 S44P10-R40 HydrophobicContact CG-CB 4.29Å; A36-R40 WeakPolarHBondContact O-CG 3.34Å; A36-R40 PolarHBondContact O-N 3.13Å; A36-R40 VanDerWaalsContact O-N 3.11Å; N37-R40 PolarHBondContact O-N 2.82Å; N37-R40 PolarHBondContact OD1-NH1 3.21Å; N37-R40 VanDerWaalsContact OD1-NH1 3.11Å; L38-R40 VanDerWaalsContact C-N 3.29Å; L38-R40 PolarHBondContact O-N 3.08Å; R40-L42 VanDerWaalsContact C-N 3.33Å; R40-L42 PolarHBondContact O-N 3.4Å; R40-S43 PolarHBondContact O-N 3.12Å; R40-S44 WeakPolarHBondContact O-CB 3.31Å; R40-S44 PolarHBondContact O-N 3.33Å
41Q96Very high95Very high46 Ų4669.3 Ų69.322%0.21539%0.394CS..Hα-helixtrans-61.4-40.7173.6-76.4-165.6-18.400112I8 P10 L13 N37 L38 S44 L45I8-Q41 HydrophobicContact CG2-CB 3.76Å; I8-Q41 HydrophobicContact CG2-CG 3.87Å; P10-Q41 HydrophobicContact CG-CG 4.5Å; P10-Q41 WeakPolarHBondContact O-CG 3.23Å; P10-Q41 PolarHBondContact O-NE2 2.98Å; L13-Q41 VanDerWaalsContact CD2-CD 3.43Å; L13-Q41 HydrophobicContact CD2-CG 3.84Å; N37-Q41 WeakPolarHBondContact O-CG 3.43Å; N37-Q41 PolarHBondContact O-N 3.4Å; L38-Q41 WeakPolarHBondContact O-CB 3.32Å; L38-Q41 PolarHBondContact O-N 2.83Å; L38-Q41 VanDerWaalsContact O-N 3.15Å; Q41-S44 PolarHBondContact O-N 3.49Å; Q41-L45 WeakPolarHBondContact O-CB 3.18Å; Q41-L45 PolarHBondContact O-N 3.1Å
42L96.8Very high95.1Very high106 Ų10668.8 Ų68.856%0.55539%0.388SS*.Hα-helixtrans-64.4-43.1175.1-70.6173000111.7L38 I39 R40 S44 L45 S46L38-L42 WeakPolarHBondContact O-CG 3.47Å; L38-L42 PolarHBondContact O-N 3.03Å; I39-L42 PolarHBondContact O-N 3.01Å; R40-L42 VanDerWaalsContact C-N 3.33Å; R40-L42 PolarHBondContact O-N 3.4Å; L42-S44 VanDerWaalsContact C-N 3.35Å; L42-S44 PolarHBondContact O-N 3.14Å; L42-L45 PolarHBondContact O-N 2.94Å; L42-S46 PolarHBondContact O-N 3.26Å; L42-S46 PolarHBondContact O-OG 2.82Å
43S96.6Very high95.3Very high84 Ų8470.6 Ų70.659%0.58739%0.391SS*.Hα-helixtrans-59.6-43.4172.9174.10000112.1I39 R40 S46 A47I39-S43 PolarHBondContact O-N 3.32Å; R40-S43 PolarHBondContact O-N 3.12Å; S43-S46 PolarHBondContact O-N 2.97Å; S43-A47 PolarHBondContact O-N 3.36Å; S43-A47 VanDerWaalsContact O-N 3.15Å
44S94.6Very high95.5Very high23 Ų2370.7 Ų70.716%0.16139%0.392CS..Hα-helixtrans-63.8-39.3174.2-178.20000112.2S9 R40 Q41 L42 H48S9-S44 PolarHBondContact N-OG 2.93Å; S9-S44 VanDerWaalsContact N-OG 3.16Å; S9-S44 VanDerWaalsContact O-CB 3.22Å; S9-S44 WeakPolarHBondContact O-CB 3.19Å; R40-S44 WeakPolarHBondContact O-CB 3.31Å; R40-S44 PolarHBondContact O-N 3.33Å; Q41-S44 PolarHBondContact O-N 3.49Å; L42-S44 VanDerWaalsContact C-N 3.35Å; L42-S44 PolarHBondContact O-N 3.14Å; S44-H48 PolarHBondContact O-N 2.78Å; S44-H48 VanDerWaalsContact O-N 3.15Å; S44-H48 PolarHBondContact O-ND1 3.16Å
45L95.8Very high95.4Very high84 Ų8472.7 Ų72.744%0.4440%0.399SS..Hα-helixtrans-66.2-42.4176.6179.260.4000111.7I8 Q41 L42 H48 A49I8-L45 HydrophobicContact CD1-CD1 4.07Å; Q41-L45 WeakPolarHBondContact O-CB 3.18Å; Q41-L45 PolarHBondContact O-N 3.1Å; L42-L45 PolarHBondContact O-N 2.94Å; L45-H48 PolarHBondContact O-N 2.93Å; L45-A49 PolarHBondContact O-N 3.34Å
46S96.6Very high95.5Very high78 Ų7872.9 Ų72.955%0.54540%0.4SS..Hα-helixtrans-60.4-44.6176.2-64.30000112.2L42 S43 H48 A49 E50L42-S46 PolarHBondContact O-N 3.26Å; L42-S46 PolarHBondContact O-OG 2.82Å; S43-S46 PolarHBondContact O-N 2.97Å; S46-H48 VanDerWaalsContact C-N 3.33Å; S46-H48 PolarHBondContact O-N 3.01Å; S46-A49 WeakPolarHBondContact O-CB 3.43Å; S46-A49 PolarHBondContact O-N 3.47Å; S46-A49 VanDerWaalsContact O-N 3.14Å; S46-E50 PolarHBondContact O-N 2.65Å
47A93.8Very high95.7Very high54 Ų5478.4 Ų78.445%0.44641%0.414SS..Hα-helixtrans-63.3-37.9176.400000112.5S43 A49 D51S43-A47 PolarHBondContact O-N 3.36Å; S43-A47 VanDerWaalsContact O-N 3.15Å; A47-A49 VanDerWaalsContact C-N 3.34Å; A47-D51 WeakPolarHBondContact O-CB 3.31Å; A47-D51 PolarHBondContact O-N 3.39Å; A47-D51 VanDerWaalsContact O-N 3.1Å
48H94.4Very high95.7Very high38 Ų3882.5 Ų82.518%0.17643%0.433CS..Hα-helixtrans-69.9-29.4173.6-71.8117.6000113.3R6 D7 S44 L45 S46 V52R6-H48 HydrophobicContact CB-CB 4.5Å; R6-H48 VanDerWaalsContact CB-CD2 3.41Å; R6-H48 WeakPolarHBondContact CB-CD2 3.42Å; D7-H48 PolarHBondContact O-CE1 3.34Å; S44-H48 PolarHBondContact O-N 2.78Å; S44-H48 VanDerWaalsContact O-N 3.15Å; S44-H48 PolarHBondContact O-ND1 3.16Å; L45-H48 PolarHBondContact O-N 2.93Å; S46-H48 VanDerWaalsContact C-N 3.33Å; S46-H48 PolarHBondContact O-N 3.01Å; H48-V52 VanDerWaalsContact O-CG2 3.31Å; H48-V52 WeakPolarHBondContact O-CG2 3.41Å; H48-V52 PolarHBondContact O-N 2.99Å; H48-V52 VanDerWaalsContact O-N 3.17Å
49A95.5Very high95.7Very high36 Ų3683.4 Ų83.430%0.29844%0.436SS..Hα-helixtrans-72.6-42.8174.100000111.3L45 S46 A47 D51 V52 F53L45-A49 PolarHBondContact O-N 3.34Å; S46-A49 WeakPolarHBondContact O-CB 3.43Å; S46-A49 PolarHBondContact O-N 3.47Å; S46-A49 VanDerWaalsContact O-N 3.14Å; A47-A49 VanDerWaalsContact C-N 3.34Å; A49-D51 PolarHBondContact O-N 2.89Å; A49-V52 PolarHBondContact O-N 3.17Å; A49-F53 HydrophobicContact CB-CD2 4.36Å; A49-F53 HydrophobicContact CB-CE2 4.28Å; A49-F53 WeakPolarHBondContact O-CD2 3.33Å; A49-F53 PolarHBondContact O-N 3.1Å
50E95Very high95.8Very high150 Ų15081.9 Ų81.970%0.70143%0.432SS*.Hα-helixtrans-56-48173-177.5178.6-17200111.5S46 V52 F53 G54S46-E50 PolarHBondContact O-N 2.65Å; E50-V52 PolarHBondContact O-N 3.25Å; E50-F53 PolarHBondContact O-N 2.86Å; E50-G54 PolarHBondContact O-N 2.88Å
51D93.1Very high95.9Very high36 Ų3677.2 Ų77.219%0.19342%0.42CS..Hα-helixtrans-59.1-45.1175.7178.825.5000112.3R6 A47 A49 G54 E55R6-D51 IonicContact CZ-OD1 3.51Å; R6-D51 IonicContact CZ-OD2 3.44Å; R6-D51 IonicContact NE-OD2 2.67Å; R6-D51 PolarHBondContact NE-OD2 2.8Å; R6-D51 IonicContact NH2-OD1 2.64Å; R6-D51 PolarHBondContact NH2-OD1 3.23Å; R6-D51 IonicContact NH2-OD2 3.42Å; R6-D51 PolarHBondContact NH2-OD2 3.01Å; A47-D51 WeakPolarHBondContact O-CB 3.31Å; A47-D51 PolarHBondContact O-N 3.39Å; A47-D51 VanDerWaalsContact O-N 3.1Å; A49-D51 PolarHBondContact O-N 2.89Å; D51-G54 PolarHBondContact O-N 3.21Å; D51-E55 WeakPolarHBondContact O-CG 3.36Å; D51-E55 PolarHBondContact O-N 3.23Å
52V94.6Very high96Very high50 Ų5079.7 Ų79.730%0.30343%0.43SS..Hα-helixtrans-64.8-45.8175.2167.70000112.6H48 A49 E50 G54 E55 L56H48-V52 VanDerWaalsContact O-CG2 3.31Å; H48-V52 WeakPolarHBondContact O-CG2 3.41Å; H48-V52 PolarHBondContact O-N 2.99Å; H48-V52 VanDerWaalsContact O-N 3.17Å; A49-V52 PolarHBondContact O-N 3.17Å; E50-V52 PolarHBondContact O-N 3.25Å; V52-G54 VanDerWaalsContact C-N 3.32Å; V52-E55 PolarHBondContact O-N 3.04Å; V52-L56 HydrophobicContact CG1-CD1 4.08Å; V52-L56 WeakPolarHBondContact O-CG 3.38Å; V52-L56 PolarHBondContact O-N 3.47Å; V52-L56 VanDerWaalsContact O-N 3.1Å
53F97Very high96Very high144 Ų14478.2 Ų78.263%0.63243%0.426SS*.Hα-helixtrans-71.9-28179.5-69.8-57.1000112.1A49 E50 L56 Y57A49-F53 HydrophobicContact CB-CD2 4.36Å; A49-F53 HydrophobicContact CB-CE2 4.28Å; A49-F53 WeakPolarHBondContact O-CD2 3.33Å; A49-F53 PolarHBondContact O-N 3.1Å; E50-F53 PolarHBondContact O-N 2.86Å; F53-L56 HydrophobicContact CD1-CD1 4.25Å; F53-Y57 WeakPolarHBondContact O-CB 3.42Å; F53-Y57 PolarHBondContact O-N 3Å
54G96Very high96.1Very high31 Ų3180.5 Ų80.532%0.3243%0.427SS..Hα-helixtrans-66-47.5170.200000112.6E50 D51 V52 L56 Y57 M58E50-G54 PolarHBondContact O-N 2.88Å; D51-G54 PolarHBondContact O-N 3.21Å; V52-G54 VanDerWaalsContact C-N 3.32Å; G54-L56 VanDerWaalsContact C-N 3.31Å; G54-L56 PolarHBondContact O-N 2.76Å; G54-Y57 PolarHBondContact O-N 2.71Å; G54-M58 WeakPolarHBondContact O-CB 3.36Å; G54-M58 WeakPolarHBondContact O-CG 3.47Å; G54-M58 PolarHBondContact O-N 3.03Å
55E94.1Very high96.2Very high73 Ų7385.1 Ų85.134%0.34145%0.446SS..Hα-helixtrans-54.1-48172-76.8177.5157.500111.1R6 D51 V52 E59R6-E55 IonicContact CZ-OE1 2.75Å; R6-E55 IonicContact CZ-OE2 3.97Å; R6-E55 VanDerWaalsContact CZ-OE2 3.32Å; R6-E55 IonicContact NH1-OE1 2.71Å; R6-E55 IonicContact NH1-OE2 2.68Å; R6-E55 PolarHBondContact NH1-OE2 3.35Å; R6-E55 IonicContact NH2-OE1 3.03Å; R6-E55 PolarHBondContact NH2-OE1 3.23Å; R6-E55 IonicContact NH2-OE2 3.13Å; R6-E55 PolarHBondContact NH2-OE2 2.86Å; D51-E55 WeakPolarHBondContact O-CG 3.36Å; D51-E55 PolarHBondContact O-N 3.23Å; V52-E55 PolarHBondContact O-N 3.04Å; E55-E59 PolarHBondContact O-N 2.93Å
56L96.8Very high96.3Very high99 Ų9987.1 Ų87.152%0.51845%0.451SS..Hα-helixtrans-68.2-41.9179.8-70.1170.4000113.2V52 F53 G54 E59 T60V52-L56 HydrophobicContact CG1-CD1 4.08Å; V52-L56 WeakPolarHBondContact O-CG 3.38Å; V52-L56 PolarHBondContact O-N 3.47Å; V52-L56 VanDerWaalsContact O-N 3.1Å; F53-L56 HydrophobicContact CD1-CD1 4.25Å; G54-L56 VanDerWaalsContact C-N 3.31Å; G54-L56 PolarHBondContact O-N 2.76Å; L56-E59 PolarHBondContact O-N 3.48Å; L56-T60 WeakPolarHBondContact O-CB 3.34Å; L56-T60 PolarHBondContact O-N 2.83Å; L56-T60 PolarHBondContact O-OG1 3.33Å
57Y97.8Very high96.4Very high154 Ų15487.3 Ų87.360%0.60445%0.449SS*.Hα-helixtrans-62.2-47.6177.6173.5-100.9000111F53 G54 E59 T60 V61F53-Y57 WeakPolarHBondContact O-CB 3.42Å; F53-Y57 PolarHBondContact O-N 3Å; G54-Y57 PolarHBondContact O-N 2.71Å; Y57-E59 VanDerWaalsContact C-N 3.33Å; Y57-E59 PolarHBondContact O-N 2.97Å; Y57-T60 WeakPolarHBondContact O-CB 3.37Å; Y57-T60 PolarHBondContact O-N 3.31Å; Y57-T60 VanDerWaalsContact O-N 3.13Å; Y57-V61 HydrophobicContact CD1-CG2 4.31Å; Y57-V61 HydrophobicContact CD2-CG2 4.3Å; Y57-V61 HydrophobicContact CE1-CG2 3.86Å; Y57-V61 HydrophobicContact CE2-CG2 3.86Å; Y57-V61 WeakPolarHBondContact O-CG2 3.41Å; Y57-V61 PolarHBondContact O-N 2.93Å
58M96.1Very high96.6Very high111 Ų11187.8 Ų87.855%0.54745%0.453SS..Hα-helixtrans-62.9-37.5-179.8-71.1-62.8-71.400112.5G54 K62G54-M58 WeakPolarHBondContact O-CB 3.36Å; G54-M58 WeakPolarHBondContact O-CG 3.47Å; G54-M58 PolarHBondContact O-N 3.03Å; M58-K62 WeakPolarHBondContact O-CE 3.31Å; M58-K62 WeakPolarHBondContact O-CG 3.19Å; M58-K62 PolarHBondContact O-N 3.27Å
59E96.6Very high96.7Very high85 Ų8591.3 Ų91.340%0.39747%0.471SS..Hα-helixtrans-72.6-36.6173.8-158.858.6-137.700112E55 L56 Y57 V61 K62 V63E55-E59 PolarHBondContact O-N 2.93Å; L56-E59 PolarHBondContact O-N 3.48Å; Y57-E59 VanDerWaalsContact C-N 3.33Å; Y57-E59 PolarHBondContact O-N 2.97Å; E59-V61 PolarHBondContact O-N 2.93Å; E59-K62 WeakPolarHBondContact O-CB 3.5Å; E59-K62 PolarHBondContact O-N 3.37Å; E59-K62 WeakPolarHBondContact OE2-CD 3.24Å; E59-K62 WeakPolarHBondContact OE2-CE 3.5Å; E59-K62 IonicContact OE2-NZ 3.94Å; E59-K62 PolarHBondContact OE2-NZ 3.43Å; E59-V63 WeakPolarHBondContact O-CG2 3.34Å; E59-V63 PolarHBondContact O-N 2.83Å
60T98.2Very high96.8Very high86 Ų8694.7 Ų94.753%0.52848%0.483SS..Hα-helixtrans-60.9-42.4174.5-58.10000111.6L56 Y57 V63 Q64L56-T60 WeakPolarHBondContact O-CB 3.34Å; L56-T60 PolarHBondContact O-N 2.83Å; L56-T60 PolarHBondContact O-OG1 3.33Å; Y57-T60 WeakPolarHBondContact O-CB 3.37Å; Y57-T60 PolarHBondContact O-N 3.31Å; Y57-T60 VanDerWaalsContact O-N 3.13Å; T60-V63 PolarHBondContact O-N 3.15Å; T60-Q64 WeakPolarHBondContact O-CB 3.31Å; T60-Q64 PolarHBondContact O-N 2.89Å
61V98Very high96.9Very high53 Ų5390.1 Ų90.132%0.32147%0.468SS..Hα-helixtrans-64.2-40.7175.3170.90000111.5Y57 E59 V63 Q64 H65Y57-V61 HydrophobicContact CD1-CG2 4.31Å; Y57-V61 HydrophobicContact CD2-CG2 4.3Å; Y57-V61 HydrophobicContact CE1-CG2 3.86Å; Y57-V61 HydrophobicContact CE2-CG2 3.86Å; Y57-V61 WeakPolarHBondContact O-CG2 3.41Å; Y57-V61 PolarHBondContact O-N 2.93Å; E59-V61 PolarHBondContact O-N 2.93Å; V61-V63 VanDerWaalsContact C-N 3.32Å; V61-V63 PolarHBondContact O-N 3.33Å; V61-Q64 PolarHBondContact O-N 3.1Å; V61-H65 WeakPolarHBondContact O-CB 2.96Å; V61-H65 PolarHBondContact O-N 2.61Å
62K97.5Very high97.1Very high98 Ų9890.2 Ų90.243%0.42648%0.477SS..Hα-helixtrans-60.9-40.9173-67.6170.6-144.9165.60111.6M58 E59 K66M58-K62 WeakPolarHBondContact O-CE 3.31Å; M58-K62 WeakPolarHBondContact O-CG 3.19Å; M58-K62 PolarHBondContact O-N 3.27Å; E59-K62 WeakPolarHBondContact O-CB 3.5Å; E59-K62 PolarHBondContact O-N 3.37Å; E59-K62 WeakPolarHBondContact OE2-CD 3.24Å; E59-K62 WeakPolarHBondContact OE2-CE 3.5Å; E59-K62 IonicContact OE2-NZ 3.94Å; E59-K62 PolarHBondContact OE2-NZ 3.43Å; K62-K66 WeakPolarHBondContact O-CD 3.14Å; K62-K66 WeakPolarHBondContact O-CG 3.37Å; K62-K66 PolarHBondContact O-N 3.22Å; K62-K66 VanDerWaalsContact O-N 3.12Å
63V98Very high97.2Very high75 Ų7596.5 Ų96.546%0.45550%0.496SS..Hα-helixtrans-66.9-47.11761720000110.8E59 T60 V61 H65 K66 T67E59-V63 WeakPolarHBondContact O-CG2 3.34Å; E59-V63 PolarHBondContact O-N 2.83Å; T60-V63 PolarHBondContact O-N 3.15Å; V61-V63 VanDerWaalsContact C-N 3.32Å; V61-V63 PolarHBondContact O-N 3.33Å; V63-H65 VanDerWaalsContact C-N 3.34Å; V63-H65 PolarHBondContact O-N 3.34Å; V63-K66 WeakPolarHBondContact O-CB 3.26Å; V63-K66 PolarHBondContact O-N 3.1Å; V63-K66 VanDerWaalsContact O-N 3.15Å; V63-T67 PolarHBondContact O-N 2.96Å; V63-T67 PolarHBondContact O-OG1 3.29Å; V63-T67 VanDerWaalsContact O-OG1 3.09Å
64Q98Very high97.2Very high132 Ų13295 Ų9562%0.61749%0.494SS*.Hα-helixtrans-57-44.9177.4-174.2-176.45.700111.9T60 V61 T67 A68T60-Q64 WeakPolarHBondContact O-CB 3.31Å; T60-Q64 PolarHBondContact O-N 2.89Å; V61-Q64 PolarHBondContact O-N 3.1Å; Q64-T67 PolarHBondContact O-N 3.26Å; Q64-A68 PolarHBondContact O-N 3.3Å
65H98Very high97.3Very high121 Ų12199.2 Ų99.256%0.5651%0.505SS*.Hα-helixtrans-63.2-43.9176179.672.6000112.1V61 V63 T67 A68 M69V61-H65 WeakPolarHBondContact O-CB 2.96Å; V61-H65 PolarHBondContact O-N 2.61Å; V63-H65 VanDerWaalsContact C-N 3.34Å; V63-H65 PolarHBondContact O-N 3.34Å; H65-T67 VanDerWaalsContact C-N 3.31Å; H65-T67 PolarHBondContact O-N 3.45Å; H65-A68 PolarHBondContact O-N 3.39Å; H65-M69 WeakPolarHBondContact O-CB 3.34Å; H65-M69 VanDerWaalsContact O-CG 3.31Å; H65-M69 WeakPolarHBondContact O-CG 3.25Å; H65-M69 PolarHBondContact O-N 2.95Å
66K97.6Very high97.4Very high125 Ų12598.3 Ų98.354%0.54351%0.51SS..Hα-helixtrans-59.6-41.2173.7-70.5162.9-172.6169.70111.6K62 V63 L70K62-K66 WeakPolarHBondContact O-CD 3.14Å; K62-K66 WeakPolarHBondContact O-CG 3.37Å; K62-K66 PolarHBondContact O-N 3.22Å; K62-K66 VanDerWaalsContact O-N 3.12Å; V63-K66 WeakPolarHBondContact O-CB 3.26Å; V63-K66 PolarHBondContact O-N 3.1Å; V63-K66 VanDerWaalsContact O-N 3.15Å; K66-L70 WeakPolarHBondContact O-CB 3.47Å; K66-L70 PolarHBondContact O-N 3.12Å
67T98Very high97.3Very high83 Ų8398.6 Ų98.651%0.50951%0.511SS..Hα-helixtrans-66.8-43.8177.6-610000112V63 Q64 H65 L70 S71V63-T67 PolarHBondContact O-N 2.96Å; V63-T67 PolarHBondContact O-OG1 3.29Å; V63-T67 VanDerWaalsContact O-OG1 3.09Å; Q64-T67 PolarHBondContact O-N 3.26Å; H65-T67 VanDerWaalsContact C-N 3.31Å; H65-T67 PolarHBondContact O-N 3.45Å; T67-L70 CarbonylContact O-C 3.6Å; T67-L70 PolarHBondContact O-N 3.4Å; T67-L70 VanDerWaalsContact O-N 3.15Å; T67-S71 PolarHBondContact O-N 3.41Å
68A97.5Very high97.3Very high63 Ų6395 Ų9552%0.52151%0.509SS..Hα-helixtrans-62.5-45175.600000111.8Q64 H65 L70 S71 G72Q64-A68 PolarHBondContact O-N 3.3Å; H65-A68 PolarHBondContact O-N 3.39Å; A68-L70 PolarHBondContact O-N 3.03Å; A68-S71 PolarHBondContact O-N 3.38Å; A68-G72 PolarHBondContact O-N 3.48Å; A68-G72 VanDerWaalsContact O-N 3.1Å
69M97.4Very high97.1Very high112 Ų11292.4 Ų92.455%0.55251%0.505SS*.Hα-helixtrans-63.5-27.7173.8-71.5-64.6-67.800113H65 R73H65-M69 WeakPolarHBondContact O-CB 3.34Å; H65-M69 VanDerWaalsContact O-CG 3.31Å; H65-M69 WeakPolarHBondContact O-CG 3.25Å; H65-M69 PolarHBondContact O-N 2.95Å; M69-R73 WeakPolarHBondContact O-CB 3.47Å; M69-R73 WeakPolarHBondContact O-CD 3.34Å; M69-R73 WeakPolarHBondContact O-CG 3.2Å
70L97.1Very high97Very high108 Ų10895.1 Ų95.157%0.56552%0.516SS*.Hα-helixtrans-78.8-38.2173.7-174.160.9000112K66 T67 A68 R73 L74K66-L70 WeakPolarHBondContact O-CB 3.47Å; K66-L70 PolarHBondContact O-N 3.12Å; T67-L70 CarbonylContact O-C 3.6Å; T67-L70 PolarHBondContact O-N 3.4Å; T67-L70 VanDerWaalsContact O-N 3.15Å; A68-L70 PolarHBondContact O-N 3.03Å; L70-R73 PolarHBondContact O-N 3.11Å; L70-L74 WeakPolarHBondContact O-CB 3.47Å; L70-L74 PolarHBondContact O-N 2.9Å
71S97.3Very high96.7Very high53 Ų5395.1 Ų95.137%0.37152%0.515SS..Hα-helixtrans-61.8-54.4177.1-1610000111.3T67 A68 R73 L74 E75T67-S71 PolarHBondContact O-N 3.41Å; A68-S71 PolarHBondContact O-N 3.38Å; S71-R73 PolarHBondContact O-N 3.14Å; S71-R73 VanDerWaalsContact O-N 3.12Å; S71-L74 CarbonylContact O-C 3.59Å; S71-L74 WeakPolarHBondContact O-CA 3.44Å; S71-L74 WeakPolarHBondContact O-CB 3.37Å; S71-L74 PolarHBondContact O-N 3.02Å; S71-E75 WeakPolarHBondContact CB-OE1 3.29Å; S71-E75 WeakPolarHBondContact O-CG 3.49Å; S71-E75 PolarHBondContact O-N 2.74Å; S71-E75 PolarHBondContact OG-OE1 2.8Å
72G97Very high96.4Very high38 Ų3896 Ų9639%0.39254%0.536SS..Hα-helixtrans-60.4-28.817800000113.3A68 A76A68-G72 PolarHBondContact O-N 3.48Å; A68-G72 VanDerWaalsContact O-N 3.1Å; G72-A76 VanDerWaalsContact O-CB 3.26Å; G72-A76 WeakPolarHBondContact O-CB 3.49Å; G72-A76 PolarHBondContact O-N 3.14Å; G72-A76 VanDerWaalsContact O-N 3.1Å
73R97.3Very high95.9Very high183 Ų18398.8 Ų98.869%0.69155%0.55SS*.Hα-helixtrans-74.8-35.4171.4-75.817764-166.4-2.3113.2M69 L70 S71 L77M69-R73 WeakPolarHBondContact O-CB 3.47Å; M69-R73 WeakPolarHBondContact O-CD 3.34Å; M69-R73 WeakPolarHBondContact O-CG 3.2Å; L70-R73 PolarHBondContact O-N 3.11Å; S71-R73 PolarHBondContact O-N 3.14Å; S71-R73 VanDerWaalsContact O-N 3.12Å; R73-L77 WeakPolarHBondContact O-CB 3.05Å; R73-L77 PolarHBondContact O-N 3.44Å
74L97.6Very high95.3Very high113 Ų113101.7 Ų101.759%0.59256%0.562SS**Hα-helixtrans-69.2-42.5175.417963.6000111L70 S71 L77 S78L70-L74 WeakPolarHBondContact O-CB 3.47Å; L70-L74 PolarHBondContact O-N 2.9Å; S71-L74 CarbonylContact O-C 3.59Å; S71-L74 WeakPolarHBondContact O-CA 3.44Å; S71-L74 WeakPolarHBondContact O-CB 3.37Å; S71-L74 PolarHBondContact O-N 3.02Å; L74-L77 PolarHBondContact O-N 2.93Å; L74-S78 VanDerWaalsContact O-CB 3.24Å; L74-S78 WeakPolarHBondContact O-CB 3.24Å; L74-S78 PolarHBondContact O-N 3.41Å
75E97.2Very high94.4Very high118 Ų118100.4 Ų100.455%0.55156%0.56SS**Hα-helixtrans-61.7-50.2174.6-68.5154.4-130.600110.9S71 L77 S78 A79S71-E75 WeakPolarHBondContact CB-OE1 3.29Å; S71-E75 WeakPolarHBondContact O-CG 3.49Å; S71-E75 PolarHBondContact O-N 2.74Å; S71-E75 PolarHBondContact OG-OE1 2.8Å; E75-L77 VanDerWaalsContact C-N 3.29Å; E75-L77 PolarHBondContact O-N 3.37Å; E75-S78 PolarHBondContact O-N 3.12Å; E75-A79 WeakPolarHBondContact O-CB 3.3Å; E75-A79 PolarHBondContact O-N 3.23Å
76A95.9Very high93.2Very high55 Ų55100 Ų10046%0.45557%0.571SS.*Hα-helixtrans-65.7-27.8176.500000113.6G72 K80G72-A76 VanDerWaalsContact O-CB 3.26Å; G72-A76 WeakPolarHBondContact O-CB 3.49Å; G72-A76 PolarHBondContact O-N 3.14Å; G72-A76 VanDerWaalsContact O-N 3.1Å; A76-K80 WeakPolarHBondContact O-CG 3.49Å; A76-K80 PolarHBondContact O-N 3.38Å
77L96.2Very high91.9Very high104 Ų10498.3 Ų98.355%0.54558%0.58SS.*Hα-helixtrans-76-43.9172.4179.560.8000111.3R73 L74 E75 A79 K80 V81R73-L77 WeakPolarHBondContact O-CB 3.05Å; R73-L77 PolarHBondContact O-N 3.44Å; L74-L77 PolarHBondContact O-N 2.93Å; E75-L77 VanDerWaalsContact C-N 3.29Å; E75-L77 PolarHBondContact O-N 3.37Å; L77-A79 PolarHBondContact O-N 3.43Å; L77-K80 PolarHBondContact O-N 3.08Å; L77-K80 VanDerWaalsContact O-N 3.14Å; L77-V81 HydrophobicContact CD1-CG2 4.19Å; L77-V81 HydrophobicContact CG-CG2 4.37Å; L77-V81 WeakPolarHBondContact O-CG2 3.3Å; L77-V81 PolarHBondContact O-N 3.28Å
78S96Very high90.3Very high80 Ų80101.2 Ų101.256%0.55959%0.591SS**Hα-helixtrans-59.1-47.2177.8-175.10000111.2L74 E75 K80 V81 G82L74-S78 VanDerWaalsContact O-CB 3.24Å; L74-S78 WeakPolarHBondContact O-CB 3.24Å; L74-S78 PolarHBondContact O-N 3.41Å; E75-S78 PolarHBondContact O-N 3.12Å; S78-K80 VanDerWaalsContact C-N 3.28Å; S78-K80 PolarHBondContact O-N 3.49Å; S78-V81 PolarHBondContact O-N 3.01Å; S78-G82 PolarHBondContact O-N 3.28Å
79A93.8Very high88.9Confident55 Ų55104 Ų10446%0.45560%0.598SS.*Hα-helixtrans-59.3-36.3175.200000112.9E75 L77 Q83E75-A79 WeakPolarHBondContact O-CB 3.3Å; E75-A79 PolarHBondContact O-N 3.23Å; L77-A79 PolarHBondContact O-N 3.43Å; A79-Q83 VanDerWaalsContact O-CG 3.28Å; A79-Q83 WeakPolarHBondContact O-CG 3.45Å
80K93.4Very high87.2Confident143 Ų143107.1 Ų107.162%0.62261%0.611SS**Hα-helixtrans-72.7-42.9174.9-75.9179.5177.3-1710112.6A76 L77 S78 G82 Q83 L84A76-K80 WeakPolarHBondContact O-CG 3.49Å; A76-K80 PolarHBondContact O-N 3.38Å; L77-K80 PolarHBondContact O-N 3.08Å; L77-K80 VanDerWaalsContact O-N 3.14Å; S78-K80 VanDerWaalsContact C-N 3.28Å; S78-K80 PolarHBondContact O-N 3.49Å; K80-G82 VanDerWaalsContact C-N 3.29Å; K80-G82 PolarHBondContact O-N 2.99Å; K80-Q83 PolarHBondContact O-N 2.85Å; K80-L84 PolarHBondContact O-N 3.13Å
81V92.1Very high85.3Confident85 Ų85112.4 Ų112.452%0.51562%0.623SS.*Hα-helixtrans-61.9-39.3177.4170.70000110.8L77 S78 Q83 L84L77-V81 HydrophobicContact CD1-CG2 4.19Å; L77-V81 HydrophobicContact CG-CG2 4.37Å; L77-V81 WeakPolarHBondContact O-CG2 3.3Å; L77-V81 PolarHBondContact O-N 3.28Å; S78-V81 PolarHBondContact O-N 3.01Å; V81-Q83 PolarHBondContact O-N 3.26Å; V81-L84 PolarHBondContact O-N 2.75Å
82G90.7Very high83.3Confident73 Ų73112.4 Ų112.475%0.75362%0.621SS**THydrogen-bonded Turntrans-68.1-6.2173.200000115.5S78 K80S78-G82 PolarHBondContact O-N 3.28Å; K80-G82 VanDerWaalsContact C-N 3.29Å; K80-G82 PolarHBondContact O-N 2.99Å
83Q87.9Confident81.3Confident156 Ų156121.5 Ų121.573%0.72964%0.643SS**THydrogen-bonded Turntrans-107.30.9176.1-70.2170.71.900113A79 K80 V81 D85A79-Q83 VanDerWaalsContact O-CG 3.28Å; A79-Q83 WeakPolarHBondContact O-CG 3.45Å; K80-Q83 PolarHBondContact O-N 2.85Å; V81-Q83 PolarHBondContact O-N 3.26Å; Q83-D85 PolarHBondContact O-N 3.24Å; Q83-D85 VanDerWaalsContact O-N 3.15Å
84L85.3Confident79.4Confident136 Ų136116.3 Ų116.371%0.71263%0.634SS**  trans-79.195.9179.1-65.5176.9000111K80 V81 S86K80-L84 PolarHBondContact O-N 3.13Å; V81-L84 PolarHBondContact O-N 2.75Å; L84-S86 PolarHBondContact O-N 3.42Å
85D80.1Confident77.5Confident105 Ų105118.1 Ų118.156%0.56163%0.634SS**  trans-74.8115.4164-175.81.5000110Q83 A87 L88Q83-D85 PolarHBondContact O-N 3.24Å; Q83-D85 VanDerWaalsContact O-N 3.15Å; D85-A87 PolarHBondContact O-N 3.11Å; D85-A87 WeakPolarHBondContact OD1-CB 3.47Å; D85-A87 PolarHBondContact OD1-N 2.64Å; D85-L88 PolarHBondContact O-N 2.67Å
86S72.7Confident75.8Confident113 Ų113116.5 Ų116.579%0.7964%0.641SS**THydrogen-bonded Turntrans-73.3-11.4179.556.70000113.9L84 L88L84-S86 PolarHBondContact O-N 3.42Å; S86-L88 VanDerWaalsContact C-N 3.34Å
87A69.5Low74.3Confident89 Ų89120.5 Ų120.574%0.73666%0.655SS**THydrogen-bonded Turntrans-75.6-21.2174.600000113.3D85D85-A87 PolarHBondContact O-N 3.11Å; D85-A87 WeakPolarHBondContact OD1-CB 3.47Å; D85-A87 PolarHBondContact OD1-N 2.64Å
88L64.5Low72.7Confident143 Ų143123.8 Ų123.875%0.74966%0.661SS**SBendtrans-98.7-5.8-177.8-156.199000113.8D85 S86 E90D85-L88 PolarHBondContact O-N 2.67Å; S86-L88 VanDerWaalsContact C-N 3.34Å; L88-E90 PolarHBondContact O-N 2.89Å
89D67.5Low71.4Confident123 Ų123129.1 Ų129.166%0.65867%0.67SS**  trans-78.585.4-178.3-171.238.3000111R91D89-R91 PolarHBondContact O-N 2.92Å
90E61.5Low70.6Confident176 Ų176129.8 Ų129.882%0.82268%0.676SS**  trans-69.860.5178.2-69.6-162.1154.600113.4L88 T92L88-E90 PolarHBondContact O-N 2.89Å; E90-T92 WeakPolarHBondContact O-CA 3.32Å; E90-T92 PolarHBondContact O-N 2.95Å; E90-T92 PolarHBondContact O-OG1 3.21Å
91R58.3Low69.9Low219 Ų219131.9 Ų131.983%0.82669%0.686SS**  trans23.164.1162.7-155.1-178.1-56-1645.2115D89 R93D89-R91 PolarHBondContact O-N 2.92Å; R91-R93 PolarHBondContact O-N 3.37Å
92T55.9Low69.3Low53 Ų53135.5 Ų135.533%0.32569%0.694SS.*  trans-71.882.3-161-47.90000114.1E90 C94 Y95E90-T92 WeakPolarHBondContact O-CA 3.32Å; E90-T92 PolarHBondContact O-N 2.95Å; E90-T92 PolarHBondContact O-OG1 3.21Å; T92-C94 WeakPolarHBondContact CG2-SG 3.36Å; T92-C94 PolarHBondContact O-N 2.84Å; T92-Y95 VanDerWaalsContact CB-CD2 3.5Å; T92-Y95 VanDerWaalsContact CB-CE2 3.43Å; T92-Y95 HydrophobicContact CG2-CD1 4.33Å; T92-Y95 HydrophobicContact CG2-CD2 3.49Å; T92-Y95 VanDerWaalsContact CG2-CD2 3.49Å; T92-Y95 HydrophobicContact CG2-CE1 4.21Å; T92-Y95 HydrophobicContact CG2-CE2 3.35Å; T92-Y95 HydrophobicContact CG2-CG 3.98Å; T92-Y95 PolarHBondContact O-N 3.37Å
93R53.6Low68.5Low230 Ų230140.5 Ų140.587%0.86869%0.69SS**THydrogen-bonded Turntrans-55.6-19.3178.7-79-180168.6160.1-4.7114.7R91R91-R93 PolarHBondContact O-N 3.37Å
94C57.9Low67.7Low74 Ų74136.4 Ų136.450%0.568%0.679SS.*THydrogen-bonded Turntrans-80.3-20.7-177.5660000114.9T92 A96 N97 Y98T92-C94 WeakPolarHBondContact CG2-SG 3.36Å; T92-C94 PolarHBondContact O-N 2.84Å; C94-A96 VanDerWaalsContact C-N 3.26Å; C94-A96 PolarHBondContact O-N 2.89Å; C94-N97 PolarHBondContact O-N 2.72Å; C94-Y98 WeakPolarHBondContact O-CD2 3.2Å
95Y58.5Low66.6Low150 Ų150135.8 Ų135.859%0.58868%0.683SS**G310 helixtrans-64.1-28.5-175.9-71.8-44.5000114.2T92 N97 Y98 Y99T92-Y95 VanDerWaalsContact CB-CD2 3.5Å; T92-Y95 VanDerWaalsContact CB-CE2 3.43Å; T92-Y95 HydrophobicContact CG2-CD1 4.33Å; T92-Y95 HydrophobicContact CG2-CD2 3.49Å; T92-Y95 VanDerWaalsContact CG2-CD2 3.49Å; T92-Y95 HydrophobicContact CG2-CE1 4.21Å; T92-Y95 HydrophobicContact CG2-CE2 3.35Å; T92-Y95 HydrophobicContact CG2-CG 3.98Å; T92-Y95 PolarHBondContact O-N 3.37Å; Y95-N97 PolarHBondContact O-N 2.98Å; Y95-N97 VanDerWaalsContact O-N 3.13Å; Y95-Y98 PolarHBondContact O-N 3.08Å; Y95-Y99 PolarHBondContact O-N 2.63Å
96A61.3Low65.8Low84 Ų84137.9 Ų137.969%0.69469%0.694SS**G310 helixtrans-55.7-32.1-176.900000113.9C94C94-A96 VanDerWaalsContact C-N 3.26Å; C94-A96 PolarHBondContact O-N 2.89Å
97N63.4Low65.6Low139 Ų139135.8 Ų135.874%0.74367%0.674SS**G310 helixtrans-93.2-11.8-174.9-69-11.4000114.3C94 Y95C94-N97 PolarHBondContact O-N 2.72Å; Y95-N97 PolarHBondContact O-N 2.98Å; Y95-N97 VanDerWaalsContact O-N 3.13Å
98Y63.8Low65.7Low174 Ų174135.9 Ų135.968%0.68267%0.674SS**THydrogen-bonded Turntrans-114.2-37.1-171.9-70.6-77.6000114.5C94 Y95C94-Y98 WeakPolarHBondContact O-CD2 3.2Å; Y95-Y98 PolarHBondContact O-N 3.08Å
99Y67.9Low66.6Low191 Ų191135 Ų13575%0.74967%0.665SS**  trans-138.666.3-169.4-60.8-69.5000113.6Y95 F101Y95-Y99 PolarHBondContact O-N 2.63Å; Y99-F101 PolarHBondContact O-N 3.39Å; Y99-F101 VanDerWaalsContact O-N 3.15Å
100A77.3Confident67.4Low69 Ų69135.9 Ų135.957%0.5767%0.67SS**  trans-63.8112.7168.700000110.6K102A100-K102 PolarHBondContact O-N 2.7Å; A100-K102 VanDerWaalsContact O-N 3.09Å
101F78.4Confident68.7Low188 Ų188134.3 Ų134.383%0.82566%0.662SS**PPolyproline II helixtrans-54.2117.5179.8174.8-98.3000111.2Y99Y99-F101 PolarHBondContact O-N 3.39Å; Y99-F101 VanDerWaalsContact O-N 3.15Å
102K78.9Confident70.1Confident161 Ų161131 Ų13170%0.766%0.656SS**PPolyproline II helixtrans-100.1133.9166.9-55.2-55179.7-177.30108.1A100 S104A100-K102 PolarHBondContact O-N 2.7Å; A100-K102 VanDerWaalsContact O-N 3.09Å; K102-S104 PolarHBondContact O-N 3.12Å
103R75Confident71.6Confident178 Ų178132.2 Ų132.267%0.67267%0.665SS**PPolyproline II helixtrans-51.1137162.7-179.3173.4178.7-179.40.9107.8
104S70.7Confident73.2Confident69 Ų69129.5 Ų129.548%0.48367%0.667SS.*  trans-39.8131-170.754.50000113K102 N106 L107K102-S104 PolarHBondContact O-N 3.12Å; S104-N106 PolarHBondContact O-N 3.36Å; S104-L107 PolarHBondContact O-N 2.93Å
105P62.4Low74.8Confident124 Ų124127.1 Ų127.181%0.80565%0.651SS**THydrogen-bonded Turntrans-59-24.3-178.424.2-34.3000112.5L107P105-L107 PolarHBondContact O-N 3.37Å
106N62.8Low76.3Confident148 Ų148127.2 Ų127.279%0.79165%0.65SS**THydrogen-bonded Turntrans-71.621.1172.8-60.22.2000114.1S104 A108S104-N106 PolarHBondContact O-N 3.36Å; N106-A108 PolarHBondContact O-N 2.8Å
107L69.1Low77.6Confident70 Ų70130.7 Ų130.737%0.36665%0.652SS.*  trans-75.868161.6-171.468.3000109.1S104 P105 F109S104-L107 PolarHBondContact O-N 2.93Å; P105-L107 PolarHBondContact O-N 3.37Å; L107-F109 PolarHBondContact O-N 2.88Å
108A71.8Confident78.9Confident90 Ų90127 Ų12774%0.74463%0.634SS**PPolyproline II helixtrans-59.8123.6167.900000108.5N106N106-A108 PolarHBondContact O-N 2.8Å
109F82.2Confident80.2Confident125 Ų125121.9 Ų121.955%0.54862%0.618SS.*PPolyproline II helixtrans-73.7129.2166.4-64.2-81.8000107.7L107 Q111L107-F109 PolarHBondContact O-N 2.88Å; F109-Q111 PolarHBondContact O-N 3.09Å
110D84.6Confident81.2Confident142 Ų142114.7 Ų114.776%0.75960%0.595SS**PPolyproline II helixtrans-61.4129.5171.4-174.415000109.6
111Q89Confident81.7Confident143 Ų143113.8 Ų113.867%0.66859%0.587SS**  trans-145.3148.4-173.7-70.3-174.937.700109.3F109F109-Q111 PolarHBondContact O-N 3.09Å
112Q87.5Confident82.2Confident150 Ų150105.1 Ų105.170%0.70155%0.551SS**  trans54.246.8-174.4-46.8-179.1-66.600114.3L114 S115Q112-L114 PolarHBondContact O-N 3.27Å; Q112-S115 VanDerWaalsContact CB-OG 3.3Å; Q112-S115 WeakPolarHBondContact CB-OG 3.46Å; Q112-S115 WeakPolarHBondContact O-CB 3.47Å; Q112-S115 PolarHBondContact O-N 2.85Å; Q112-S115 PolarHBondContact O-OG 2.68Å
113P87.6Confident82.7Confident78 Ų7899 Ų9951%0.50653%0.525SS..THydrogen-bonded Turntrans-66.4-4.5-175.129.9-38.2000114.8T118P113-T118 VanDerWaalsContact C-OG1 3.31Å; P113-T118 PolarHBondContact O-OG1 3.2Å
114L87.8Confident83.4Confident172 Ų17291.9 Ų91.990%0.90150%0.503SS*.THydrogen-bonded Turntrans-106.519.8175.3-56.8179.7000112.7Q112Q112-L114 PolarHBondContact O-N 3.27Å
115S89.9Confident84.2Confident25 Ų2593 Ų9318%0.17550%0.5CS..SBendtrans-64156.8176.5-67.40000112.5Q112 H117 T118Q112-S115 VanDerWaalsContact CB-OG 3.3Å; Q112-S115 WeakPolarHBondContact CB-OG 3.46Å; Q112-S115 WeakPolarHBondContact O-CB 3.47Å; Q112-S115 PolarHBondContact O-N 2.85Å; Q112-S115 PolarHBondContact O-OG 2.68Å; S115-H117 WeakPolarHBondContact CB-CE1 3.38Å; S115-H117 WeakPolarHBondContact CB-ND1 3.42Å; S115-H117 PolarHBondContact O-N 2.65Å; S115-H117 VanDerWaalsContact O-N 3.11Å; S115-T118 PolarHBondContact N-OG1 2.92Å; S115-T118 PolarHBondContact O-N 3.15Å; S115-T118 PolarHBondContact O-OG1 3.26Å
116R90.4Very high85.5Confident151 Ų15190.4 Ų90.457%0.5747%0.474SS*.G310 helixtrans-59.2-26.5176.6-175.9163169.468.93.3113.3L119R116-L119 WeakPolarHBondContact O-CB 3.47Å
117H89.8Confident86.8Confident158 Ų15890.1 Ų90.173%0.73146%0.463SS*.G310 helixtrans-80.4-11.1175.568.8-105.5000114.7S115S115-H117 WeakPolarHBondContact CB-CE1 3.38Å; S115-H117 WeakPolarHBondContact CB-ND1 3.42Å; S115-H117 PolarHBondContact O-N 2.65Å; S115-H117 VanDerWaalsContact O-N 3.11Å
118T91Very high87.9Confident61 Ų6192.7 Ų92.737%0.37447%0.473SS..G310 helixtrans-99.64.1172.962.90000112.7P113 S115 P120P113-T118 VanDerWaalsContact C-OG1 3.31Å; P113-T118 PolarHBondContact O-OG1 3.2Å; S115-T118 PolarHBondContact N-OG1 2.92Å; S115-T118 PolarHBondContact O-N 3.15Å; S115-T118 PolarHBondContact O-OG1 3.26Å; T118-P120 WeakPolarHBondContact O-CD 3.45Å
119L90Very high88.7Confident66 Ų6696.8 Ų96.835%0.34647%0.469SS..  trans-67.8121.8-179-171.667.4000110.9R116 M123R116-L119 WeakPolarHBondContact O-CB 3.47Å; L119-M123 HydrophobicContact CD1-CB 3.68Å; L119-M123 HydrophobicContact CG-CB 4.01Å
120P89.5Confident89.2Confident41 Ų4192.8 Ų92.827%0.26646%0.463SS..  trans-61.8149178.3-24.635.2000112.7T118 A122 M123 S124T118-P120 WeakPolarHBondContact O-CD 3.45Å; P120-A122 VanDerWaalsContact C-N 3.34Å; P120-A122 PolarHBondContact O-N 3.19Å; P120-M123 WeakPolarHBondContact O-CA 3.37Å; P120-M123 WeakPolarHBondContact O-CB 3.41Å; P120-M123 PolarHBondContact O-N 2.83Å; P120-S124 PolarHBondContact O-N 3.45Å
121A88.2Confident89.6Confident49 Ų4995.1 Ų95.141%0.40547%0.47SS..Hα-helixtrans-53.4-46.3-174.300000113.1M123 S124 Q125A121-M123 PolarHBondContact O-N 2.98Å; A121-M123 VanDerWaalsContact O-N 3.14Å; A121-S124 PolarHBondContact O-N 3.1Å; A121-S124 VanDerWaalsContact O-N 3.1Å; A121-Q125 WeakPolarHBondContact O-CG 3.26Å; A121-Q125 PolarHBondContact O-N 3.15Å
122A87.2Confident89.9Confident7 Ų793.1 Ų93.16%0.05847%0.469CS..Hα-helixtrans-58.8-24.5175.700000114.4R6 P120R6-A122 HydrophobicContact CG-CB 3.74Å; P120-A122 VanDerWaalsContact C-N 3.34Å; P120-A122 PolarHBondContact O-N 3.19Å
123M89.3Confident90.1Very high32 Ų3288.6 Ų88.616%0.15845%0.453CS..Hα-helixtrans-90.4-31.6175.2-59.4-80.96900112.3V3 K5 L119 P120 A121 R126 Y127V3-M123 HydrophobicContact CG1-CE 4.08Å; V3-M123 HydrophobicContact CG1-SD 3.8Å; K5-M123 HydrophobicContact CG-SD 4.28Å; K5-M123 WeakPolarHBondContact O-CE 3.24Å; L119-M123 HydrophobicContact CD1-CB 3.68Å; L119-M123 HydrophobicContact CG-CB 4.01Å; P120-M123 WeakPolarHBondContact O-CA 3.37Å; P120-M123 WeakPolarHBondContact O-CB 3.41Å; P120-M123 PolarHBondContact O-N 2.83Å; A121-M123 PolarHBondContact O-N 2.98Å; A121-M123 VanDerWaalsContact O-N 3.14Å; M123-R126 HydrophobicContact CE-CG 4.41Å; M123-R126 PolarHBondContact O-N 3.32Å; M123-Y127 PolarHBondContact O-N 3.12Å
124S89.5Confident90.4Very high29 Ų2987.9 Ų87.920%0.20345%0.448CS..Hα-helixtrans-62.9-48.3171.2-156.10000111.1P120 A121 R126 Y127 E128P120-S124 PolarHBondContact O-N 3.45Å; A121-S124 PolarHBondContact O-N 3.1Å; A121-S124 VanDerWaalsContact O-N 3.1Å; S124-R126 PolarHBondContact O-N 2.93Å; S124-Y127 WeakPolarHBondContact O-CA 3.37Å; S124-Y127 WeakPolarHBondContact O-CB 3.42Å; S124-Y127 PolarHBondContact O-N 2.85Å; S124-E128 VanDerWaalsContact CB-OE1 3.26Å; S124-E128 WeakPolarHBondContact CB-OE1 3.28Å; S124-E128 VanDerWaalsContact O-CD 3.25Å; S124-E128 WeakPolarHBondContact O-CG 3.5Å; S124-E128 PolarHBondContact O-N 3.5Å; S124-E128 PolarHBondContact OG-OE1 3.12Å
125Q88.8Confident90.7Very high91 Ų9184 Ų8443%0.42543%0.429SS..Hα-helixtrans-57.5-26.2176.4-69.3-177.625.100114A121 R129A121-Q125 WeakPolarHBondContact O-CG 3.26Å; A121-Q125 PolarHBondContact O-N 3.15Å; Q125-R129 WeakPolarHBondContact O-CD 3.4Å; Q125-R129 VanDerWaalsContact O-CG 3.27Å; Q125-R129 WeakPolarHBondContact O-CG 3.28Å; Q125-R129 PolarHBondContact O-NE 3.02Å
126R88.5Confident90.9Very high70 Ų7085 Ų8526%0.26443%0.432SS..Hα-helixtrans-86.1-33.4173.6-73.5-149.5-163.7141.714113.3T4 K5 D7 M123 S124 E128 R129 G130T4-R126 PolarHBondContact O-NH1 3.29Å; T4-R126 PolarHBondContact O-NH2 3.5Å; K5-R126 PolarHBondContact O-NH2 2.86Å; D7-R126 VanDerWaalsContact CB-NH2 3.32Å; D7-R126 IonicContact OD1-CZ 2.63Å; D7-R126 IonicContact OD1-NE 2.65Å; D7-R126 PolarHBondContact OD1-NE 2.99Å; D7-R126 IonicContact OD1-NH2 2.68Å; D7-R126 PolarHBondContact OD1-NH2 2.94Å; D7-R126 IonicContact OD2-NE 2.87Å; M123-R126 HydrophobicContact CE-CG 4.41Å; M123-R126 PolarHBondContact O-N 3.32Å; S124-R126 PolarHBondContact O-N 2.93Å; R126-E128 VanDerWaalsContact C-N 3.33Å; R126-R129 PolarHBondContact O-N 3.29Å; R126-G130 PolarHBondContact O-N 3.37Å
127Y90.7Very high91Very high142 Ų14282.3 Ų82.356%0.55743%0.426SS*.Hα-helixtrans-62.5-42.3171.3179.9-85.5000110.9M123 S124 R129 G130M123-Y127 PolarHBondContact O-N 3.12Å; S124-Y127 WeakPolarHBondContact O-CA 3.37Å; S124-Y127 WeakPolarHBondContact O-CB 3.42Å; S124-Y127 PolarHBondContact O-N 2.85Å; Y127-R129 VanDerWaalsContact C-N 3.26Å; Y127-R129 PolarHBondContact O-N 3.32Å; Y127-G130 WeakPolarHBondContact O-CA 3.32Å; Y127-G130 PolarHBondContact O-N 2.89Å
128E91.7Very high91.1Very high124 Ų12482 Ų8258%0.57942%0.422SS*.THydrogen-bonded Turntrans-66.9-21.7176.8-69.3148.9-14200113.9S124 R126S124-E128 VanDerWaalsContact CB-OE1 3.26Å; S124-E128 WeakPolarHBondContact CB-OE1 3.28Å; S124-E128 VanDerWaalsContact O-CD 3.25Å; S124-E128 WeakPolarHBondContact O-CG 3.5Å; S124-E128 PolarHBondContact O-N 3.5Å; S124-E128 PolarHBondContact OG-OE1 3.12Å; R126-E128 VanDerWaalsContact C-N 3.33Å
129R90.1Very high91.1Very high176 Ų17683.3 Ų83.366%0.66443%0.426SS*.THydrogen-bonded Turntrans-87.2-5.1170-67.9173.1-160.2173.88.9113.1Q125 R126 Y127Q125-R129 WeakPolarHBondContact O-CD 3.4Å; Q125-R129 VanDerWaalsContact O-CG 3.27Å; Q125-R129 WeakPolarHBondContact O-CG 3.28Å; Q125-R129 PolarHBondContact O-NE 3.02Å; R126-R129 PolarHBondContact O-N 3.29Å; Y127-R129 VanDerWaalsContact C-N 3.26Å; Y127-R129 PolarHBondContact O-N 3.32Å
130G90.9Very high91.1Very high41 Ų4182.7 Ų82.742%0.42342%0.423SS..SBendtrans-74.8156174.700000111.6R126 Y127R126-G130 PolarHBondContact O-N 3.37Å; Y127-G130 WeakPolarHBondContact O-CA 3.32Å; Y127-G130 PolarHBondContact O-N 2.89Å
131E94.9Very high91.2Very high192 Ų19284.5 Ų84.590%0.89745%0.45SS*.PPolyproline II helixtrans-69.3123.3170.3-170.8172.1-172.800109.1
132P93.6Very high91.4Very high100 Ų10090.6 Ų90.665%0.64947%0.467SS*.PPolyproline II helixtrans-68.3155.3177.229.5-34.8000110.6
133P93.4Very high91.6Very high55 Ų5593.9 Ų93.936%0.35748%0.478SS..PPolyproline II helixtrans-61.6153.8173.329.4-35.9000110.6D135 L150 Y153 T154P133-D135 PolarHBondContact O-N 3.47Å; P133-L150 HydrophobicContact CB-CD1 3.96Å; P133-L150 HydrophobicContact CG-CD1 4.2Å; P133-Y153 HydrophobicContact CB-CD1 4Å; P133-Y153 HydrophobicContact CB-CE1 3.76Å; P133-T154 HydrophobicContact CB-CG2 4.47Å
134P93.5Very high91.7Very high64 Ų64102.4 Ų102.442%0.41652%0.518SS..PPolyproline II helixtrans-55138.6172.7-24.234.6000111.2L136 Y153P134-L136 HydrophobicContact CB-CD2 4.46Å; P134-L136 HydrophobicContact CB-CG 4.27Å; P134-L136 PolarHBondContact O-N 2.94Å; P134-Y153 VanDerWaalsContact CD-CZ 3.5Å; P134-Y153 HydrophobicContact CG-CE2 4.27Å
135D93.5Very high91.8Very high91 Ų91104 Ų10449%0.48752%0.524SS..  trans-74.774.1-179.4-174.9-8.8000111P133 E137 K138P133-D135 PolarHBondContact O-N 3.47Å; D135-E137 VanDerWaalsContact C-N 3.31Å; D135-K138 WeakPolarHBondContact OD2-CD 3.36Å; D135-K138 WeakPolarHBondContact OD2-CE 3.4Å; D135-K138 IonicContact OD2-NZ 3.99Å; D135-K138 PolarHBondContact OD2-NZ 2.8Å
136L94Very high91.9Very high45 Ų45103.2 Ų103.224%0.23654%0.54CS..  trans-80.4-13.5177.5-61.3175.3000112P134 K138 L139 A149 Y153P134-L136 HydrophobicContact CB-CD2 4.46Å; P134-L136 HydrophobicContact CB-CG 4.27Å; P134-L136 PolarHBondContact O-N 2.94Å; L136-K138 PolarHBondContact O-N 3.24Å; L136-L139 HydrophobicContact CD2-CD1 3.82Å; L136-L139 WeakPolarHBondContact O-CA 3.44Å; L136-L139 VanDerWaalsContact O-CB 3.26Å; L136-L139 WeakPolarHBondContact O-CB 3.4Å; L136-L139 PolarHBondContact O-N 3.44Å; L136-A149 HydrophobicContact CB-CB 4.07Å; L136-A149 WeakPolarHBondContact O-CB 3.36Å; L136-Y153 HydrophobicContact CD1-CG 4.12Å
137E92.6Very high92Very high95 Ų95105.5 Ų105.544%0.44455%0.552SS.*G310 helixtrans-65.7-28.5-177.4-55.3-157.9133.900111.8D135 L139 N140 N148 L150D135-E137 VanDerWaalsContact C-N 3.31Å; E137-L139 PolarHBondContact O-N 2.96Å; E137-L139 VanDerWaalsContact O-N 3.13Å; E137-N140 WeakPolarHBondContact O-CB 3.32Å; E137-N140 PolarHBondContact O-N 3.25Å; E137-N140 PolarHBondContact O-ND2 2.7Å; E137-N148 PolarHBondContact OE1-ND2 3.13Å; E137-L150 HydrophobicContact CG-CB 3.84Å; E137-L150 HydrophobicContact CG-CD2 3.97Å
138K92Very high92Very high151 Ų151101.1 Ų101.166%0.65754%0.538SS*.G310 helixtrans-54.8-23.6166.1-75.1167.4175.2153.20114.4D135 L136D135-K138 WeakPolarHBondContact OD2-CD 3.36Å; D135-K138 WeakPolarHBondContact OD2-CE 3.4Å; D135-K138 IonicContact OD2-NZ 3.99Å; D135-K138 PolarHBondContact OD2-NZ 2.8Å; L136-K138 PolarHBondContact O-N 3.24Å
139L92Very high92.1Very high89 Ų8995.6 Ų95.647%0.46651%0.514SS..G310 helixtrans-85.4-8.5177.8-60.9167.5000113.1L136 E137 G141 F142 A149L136-L139 HydrophobicContact CD2-CD1 3.82Å; L136-L139 WeakPolarHBondContact O-CA 3.44Å; L136-L139 VanDerWaalsContact O-CB 3.26Å; L136-L139 WeakPolarHBondContact O-CB 3.4Å; L136-L139 PolarHBondContact O-N 3.44Å; E137-L139 PolarHBondContact O-N 2.96Å; E137-L139 VanDerWaalsContact O-N 3.13Å; L139-G141 PolarHBondContact O-N 2.95Å; L139-F142 PolarHBondContact O-N 3.01Å; L139-A149 HydrophobicContact CB-CB 4.34Å
140N90.1Very high92.3Very high52 Ų5288.8 Ų88.828%0.27849%0.49SS..G310 helixtrans-58.2-35.7-177.1-68.7-15.7000112.7E137 F142 R143 N148 A149E137-N140 WeakPolarHBondContact O-CB 3.32Å; E137-N140 PolarHBondContact O-N 3.25Å; E137-N140 PolarHBondContact O-ND2 2.7Å; N140-F142 PolarHBondContact O-N 2.94Å; N140-R143 PolarHBondContact O-N 2.67Å; N140-N148 PolarHBondContact ND2-OD1 3.11Å; N140-N148 WeakPolarHBondContact OD1-CA 3.45Å; N140-N148 PolarHBondContact OD1-OD1 2.92Å; N140-A149 VanDerWaalsContact OD1-CB 3.25Å; N140-A149 WeakPolarHBondContact OD1-CB 3.33Å; N140-A149 PolarHBondContact OD1-N 2.88Å
141G90.8Very high92.4Very high80 Ų8091 Ų9183%0.82549%0.488SS*.G310 helixtrans-67-9.9176.700000115.3L139L139-G141 PolarHBondContact O-N 2.95Å
142F91.8Very high92.4Very high176 Ų17687.9 Ų87.977%0.77247%0.472SS*.G310 helixtrans-106.89.6177.4-56.3-84.1000112.8L139 N140L139-F142 PolarHBondContact O-N 3.01Å; N140-F142 PolarHBondContact O-N 2.94Å
143R91.7Very high92.4Very high77 Ų7790 Ų9029%0.29147%0.468SS..  trans-102.4121.4-176.9-67-170.562.4102.48.8112.6N140 D145 K147 F152N140-R143 PolarHBondContact O-N 2.67Å; R143-D145 VanDerWaalsContact C-N 3.28Å; R143-D145 IonicContact CZ-OD1 3.77Å; R143-D145 VanDerWaalsContact CZ-OD1 3.3Å; R143-D145 IonicContact CZ-OD2 2.84Å; R143-D145 IonicContact NE-OD1 3.81Å; R143-D145 PolarHBondContact NE-OD1 3.47Å; R143-D145 IonicContact NH2-OD1 2.67Å; R143-D145 PolarHBondContact NH2-OD1 3.38Å; R143-D145 IonicContact NH2-OD2 3.82Å; R143-D145 PolarHBondContact NH2-OD2 3.22Å; R143-D145 PolarHBondContact O-N 3.24Å; R143-K147 WeakPolarHBondContact CD-O 3.41Å; R143-K147 PolarHBondContact NE-O 3.45Å; R143-K147 VanDerWaalsContact NE-O 3.12Å; R143-F152 VanDerWaalsContact CZ-CE2 3.4Å
144E92.3Very high92.5Very high210 Ų21090.4 Ų90.498%0.98147%0.47SS*.THydrogen-bonded Turntrans-69-23.2175.5-59.8-178.8167.500113.4
145D91.9Very high92.6Very high64 Ų6489.5 Ų89.534%0.34246%0.461SS..THydrogen-bonded Turntrans-89-1.8-175.180.6-24.5000115R143 K147R143-D145 VanDerWaalsContact C-N 3.28Å; R143-D145 IonicContact CZ-OD1 3.77Å; R143-D145 VanDerWaalsContact CZ-OD1 3.3Å; R143-D145 IonicContact CZ-OD2 2.84Å; R143-D145 IonicContact NE-OD1 3.81Å; R143-D145 PolarHBondContact NE-OD1 3.47Å; R143-D145 IonicContact NH2-OD1 2.67Å; R143-D145 PolarHBondContact NH2-OD1 3.38Å; R143-D145 IonicContact NH2-OD2 3.82Å; R143-D145 PolarHBondContact NH2-OD2 3.22Å; R143-D145 PolarHBondContact O-N 3.24Å; D145-K147 PolarHBondContact O-N 3.22Å; D145-K147 VanDerWaalsContact O-N 3.1Å; D145-K147 PolarHBondContact OD1-N 3.44Å; D145-K147 VanDerWaalsContact OD2-CD 3.24Å; D145-K147 WeakPolarHBondContact OD2-CD 3.45Å; D145-K147 WeakPolarHBondContact OD2-CE 3.42Å; D145-K147 IonicContact OD2-NZ 3.32Å; D145-K147 PolarHBondContact OD2-NZ 2.93Å
146G90Very high92.5Very high74 Ų7490.2 Ų90.276%0.76347%0.471SS*.  trans64.98178.800000115.6
147K91.2Very high92.5Very high118 Ų11892.4 Ų92.451%0.51348%0.483SS..  trans-92146.2-178.9-60.5178.4-156.4149.70110.7R143 D145 A149 F152R143-K147 WeakPolarHBondContact CD-O 3.41Å; R143-K147 PolarHBondContact NE-O 3.45Å; R143-K147 VanDerWaalsContact NE-O 3.12Å; D145-K147 PolarHBondContact O-N 3.22Å; D145-K147 VanDerWaalsContact O-N 3.1Å; D145-K147 PolarHBondContact OD1-N 3.44Å; D145-K147 VanDerWaalsContact OD2-CD 3.24Å; D145-K147 WeakPolarHBondContact OD2-CD 3.45Å; D145-K147 WeakPolarHBondContact OD2-CE 3.42Å; D145-K147 IonicContact OD2-NZ 3.32Å; D145-K147 PolarHBondContact OD2-NZ 2.93Å; K147-A149 PolarHBondContact O-N 3.22Å; K147-F152 HydrophobicContact CB-CE2 3.93Å; K147-F152 HydrophobicContact CB-CZ 4.4Å; K147-F152 HydrophobicContact CD-CZ 4.22Å
148N91.1Very high92.7Very high49 Ų4994 Ų9426%0.26249%0.486SS..  trans-63.4121.2174.8-172.8-8.7000110.6E137 N140 L150 K151E137-N148 PolarHBondContact OE1-ND2 3.13Å; N140-N148 PolarHBondContact ND2-OD1 3.11Å; N140-N148 WeakPolarHBondContact OD1-CA 3.45Å; N140-N148 PolarHBondContact OD1-OD1 2.92Å; N148-L150 PolarHBondContact O-N 3.35Å; N148-L150 WeakPolarHBondContact OD1-CB 3.38Å; N148-L150 PolarHBondContact OD1-N 2.86Å; N148-K151 WeakPolarHBondContact O-CB 3.33Å; N148-K151 PolarHBondContact O-N 2.86Å; N148-K151 VanDerWaalsContact O-N 3.11Å
149A92.9Very high92.8Very high8 Ų894.4 Ų94.47%0.06649%0.488CS..G310 helixtrans-55.5-34.1176.600000112.4L136 L139 N140 K147 K151 F152L136-A149 HydrophobicContact CB-CB 4.07Å; L136-A149 WeakPolarHBondContact O-CB 3.36Å; L139-A149 HydrophobicContact CB-CB 4.34Å; N140-A149 VanDerWaalsContact OD1-CB 3.25Å; N140-A149 WeakPolarHBondContact OD1-CB 3.33Å; N140-A149 PolarHBondContact OD1-N 2.88Å; K147-A149 PolarHBondContact O-N 3.22Å; A149-K151 VanDerWaalsContact C-N 3.26Å; A149-K151 PolarHBondContact O-N 2.99Å; A149-F152 WeakPolarHBondContact O-CB 3.29Å; A149-F152 PolarHBondContact O-N 3.24Å
150L94Very high92.9Very high33 Ų3395.9 Ų95.917%0.17349%0.491CS..G310 helixtrans-62.2-33.1178.9-176.759.6000112.1P133 E137 N148 F152 Y153 T154P133-L150 HydrophobicContact CB-CD1 3.96Å; P133-L150 HydrophobicContact CG-CD1 4.2Å; E137-L150 HydrophobicContact CG-CB 3.84Å; E137-L150 HydrophobicContact CG-CD2 3.97Å; N148-L150 PolarHBondContact O-N 3.35Å; N148-L150 WeakPolarHBondContact OD1-CB 3.38Å; N148-L150 PolarHBondContact OD1-N 2.86Å; L150-F152 PolarHBondContact O-N 3.38Å; L150-F152 VanDerWaalsContact O-N 3.15Å; L150-Y153 HydrophobicContact CD1-CD1 4.39Å; L150-Y153 PolarHBondContact O-N 2.96Å; L150-T154 HydrophobicContact CD1-CG2 3.95Å; L150-T154 HydrophobicContact CG-CG2 4.22Å; L150-T154 PolarHBondContact O-N 3.33Å; L150-T154 VanDerWaalsContact O-O 3.11Å
151K94.4Very high93.1Very high87 Ų8796 Ų9638%0.37849%0.49SS..G310 helixtrans-65.2-13.5174.3-78.2-179.4170.4-86.40114N148 A149 T154 D155 D157N148-K151 WeakPolarHBondContact O-CB 3.33Å; N148-K151 PolarHBondContact O-N 2.86Å; N148-K151 VanDerWaalsContact O-N 3.11Å; A149-K151 VanDerWaalsContact C-N 3.26Å; A149-K151 PolarHBondContact O-N 2.99Å; K151-T154 WeakPolarHBondContact CA-O 3.4Å; K151-D155 HydrophobicContact CB-CB 4.15Å; K151-D155 HydrophobicContact CG-CB 4.1Å; K151-D155 VanDerWaalsContact NZ-CG 3.32Å; K151-D155 IonicContact NZ-OD1 2.76Å; K151-D155 PolarHBondContact NZ-OD1 3.28Å; K151-D155 IonicContact NZ-OD2 3.37Å; K151-D155 PolarHBondContact NZ-OD2 3.42Å; K151-D157 IonicContact NZ-OD2 2.71Å; K151-D157 PolarHBondContact NZ-OD2 3.49Å
152F92.9Very high93.3Very high127 Ų12796.3 Ų96.356%0.55747%0.472SS*.G310 helixtrans-85.7-11.8171.2-66.8-100.1000113.1R143 K147 A149 L150R143-F152 VanDerWaalsContact CZ-CE2 3.4Å; K147-F152 HydrophobicContact CB-CE2 3.93Å; K147-F152 HydrophobicContact CB-CZ 4.4Å; K147-F152 HydrophobicContact CD-CZ 4.22Å; A149-F152 WeakPolarHBondContact O-CB 3.29Å; A149-F152 PolarHBondContact O-N 3.24Å; L150-F152 PolarHBondContact O-N 3.38Å; L150-F152 VanDerWaalsContact O-N 3.15Å
153Y95.4Very high93.4Very high144 Ų14494.9 Ų94.957%0.56546%0.462SS*.THydrogen-bonded Turntrans-104.4-42.6173.6178.8-94.2000111.9P133 P134 L136 L150P133-Y153 HydrophobicContact CB-CD1 4Å; P133-Y153 HydrophobicContact CB-CE1 3.76Å; P134-Y153 VanDerWaalsContact CD-CZ 3.5Å; P134-Y153 HydrophobicContact CG-CE2 4.27Å; L136-Y153 HydrophobicContact CD1-CG 4.12Å; L150-Y153 HydrophobicContact CD1-CD1 4.39Å; L150-Y153 PolarHBondContact O-N 2.96Å
154T94.9Very high93.5Very high65 Ų6596.7 Ų96.740%0.39947%0.468SS..  trans-149.9122.5176.1-174.10000110.5P133 L150 K151P133-T154 HydrophobicContact CB-CG2 4.47Å; L150-T154 HydrophobicContact CD1-CG2 3.95Å; L150-T154 HydrophobicContact CG-CG2 4.22Å; L150-T154 PolarHBondContact O-N 3.33Å; L150-T154 VanDerWaalsContact O-O 3.11Å; K151-T154 WeakPolarHBondContact CA-O 3.4Å
155D94.5Very high93.6Very high44 Ų4491.7 Ų91.724%0.23545%0.445CS..  trans-125.6101.9174.5-174.55.8000110.5K151 D157 Y158K151-D155 HydrophobicContact CB-CB 4.15Å; K151-D155 HydrophobicContact CG-CB 4.1Å; K151-D155 VanDerWaalsContact NZ-CG 3.32Å; K151-D155 IonicContact NZ-OD1 2.76Å; K151-D155 PolarHBondContact NZ-OD1 3.28Å; K151-D155 IonicContact NZ-OD2 3.37Å; K151-D155 PolarHBondContact NZ-OD2 3.42Å; D155-D157 PolarHBondContact O-N 3.35Å; D155-D157 WeakPolarHBondContact OD1-CB 3.5Å; D155-D157 PolarHBondContact OD1-N 2.56Å; D155-Y158 VanDerWaalsContact O-CB 3.32Å; D155-Y158 WeakPolarHBondContact O-CB 3.49Å; D155-Y158 PolarHBondContact O-N 2.86Å
156P93Very high93.5Very high106 Ų10692.7 Ų92.769%0.68845%0.447SS*.THydrogen-bonded Turntrans-59.9-29.1175.7-24.635.3000113.8Y158P156-Y158 VanDerWaalsContact C-N 3.32Å
157D93.3Very high93.5Very high91 Ų9193.4 Ų93.449%0.48743%0.432SS..THydrogen-bonded Turntrans-78.7-18.3-176.3-57.4-44.7000112.3K151 D155 F159 F160 E161K151-D157 IonicContact NZ-OD2 2.71Å; K151-D157 PolarHBondContact NZ-OD2 3.49Å; D155-D157 PolarHBondContact O-N 3.35Å; D155-D157 WeakPolarHBondContact OD1-CB 3.5Å; D155-D157 PolarHBondContact OD1-N 2.56Å; D157-F159 VanDerWaalsContact C-N 3.27Å; D157-F159 PolarHBondContact O-N 2.99Å; D157-F159 VanDerWaalsContact O-N 3.12Å; D157-F160 WeakPolarHBondContact O-CA 3.27Å; D157-F160 PolarHBondContact O-N 2.95Å; D157-E161 PolarHBondContact O-N 3.05Å
158Y95.6Very high93.4Very high129 Ų12993.7 Ų93.751%0.50644%0.438SS..Hα-helixtrans-51-42.6-171.4177.5-96000113.6D155 P156 E161 L162D155-Y158 VanDerWaalsContact O-CB 3.32Å; D155-Y158 WeakPolarHBondContact O-CB 3.49Å; D155-Y158 PolarHBondContact O-N 2.86Å; P156-Y158 VanDerWaalsContact C-N 3.32Å; Y158-E161 PolarHBondContact O-N 3.03Å; Y158-L162 HydrophobicContact CE1-CD2 4.11Å; Y158-L162 VanDerWaalsContact O-CB 3.24Å; Y158-L162 WeakPolarHBondContact O-CB 3.38Å; Y158-L162 PolarHBondContact O-N 2.98Å
159F94.8Very high93.2Very high160 Ų16095.9 Ų95.970%0.70245%0.446SS*.Hα-helixtrans-68.5-37.6179.5-61.6-76000112.8D157 W163D157-F159 VanDerWaalsContact C-N 3.27Å; D157-F159 PolarHBondContact O-N 2.99Å; D157-F159 VanDerWaalsContact O-N 3.12Å; F159-W163 VanDerWaalsContact O-CB 3.28Å; F159-W163 WeakPolarHBondContact O-CB 3.46Å; F159-W163 PolarHBondContact O-N 3.46Å; F159-W163 VanDerWaalsContact O-N 3.1Å
160F94.1Very high92.4Very high120 Ų12098.9 Ų98.953%0.52646%0.461SS..Hα-helixtrans-72.3-41.1176.4177-100.6000111D157 W163 R164D157-F160 WeakPolarHBondContact O-CA 3.27Å; D157-F160 PolarHBondContact O-N 2.95Å; F160-W163 AromaticContact CD2-CE3 3.91Å; F160-W163 HydrophobicContact CD2-CE3 3.91Å; F160-W163 HydrophobicContact CD2-CZ3 4.12Å; F160-W163 AromaticContact CE2-CE3 3.9Å; F160-W163 HydrophobicContact CE2-CE3 3.9Å; F160-W163 AromaticContact CE2-CZ3 3.64Å; F160-W163 HydrophobicContact CE2-CZ3 3.64Å; F160-W163 HydrophobicContact CZ-CZ3 4.41Å; F160-W163 PolarHBondContact O-N 3.37Å; F160-R164 WeakPolarHBondContact O-CB 3.35Å; F160-R164 PolarHBondContact O-N 3.41Å
161E94.9Very high91.2Very high55 Ų5599.7 Ų99.726%0.25747%0.468SS..Hα-helixtrans-62.6-47.9176.7-176.856.2-135.600111.5D157 Y158 W163 R164 Q165D157-E161 PolarHBondContact O-N 3.05Å; Y158-E161 PolarHBondContact O-N 3.03Å; E161-W163 PolarHBondContact O-N 3.1Å; E161-R164 PolarHBondContact O-N 2.84Å; E161-R164 IonicContact OE1-CZ 2.86Å; E161-R164 IonicContact OE1-NE 3.11Å; E161-R164 IonicContact OE1-NH2 2.93Å; E161-R164 PolarHBondContact OE1-NH2 3.1Å; E161-R164 IonicContact OE2-CZ 3.3Å; E161-R164 IonicContact OE2-NE 2.77Å; E161-R164 PolarHBondContact OE2-NE 3.24Å; E161-R164 IonicContact OE2-NH1 3Å; E161-R164 PolarHBondContact OE2-NH1 2.84Å; E161-R164 IonicContact OE2-NH2 2.88Å; E161-R164 PolarHBondContact OE2-NH2 3.43Å; E161-Q165 VanDerWaalsContact O-CG 3.31Å; E161-Q165 WeakPolarHBondContact O-CG 3.49Å; E161-Q165 PolarHBondContact O-N 2.78Å; E161-Q165 PolarHBondContact OE1-NE2 3.01Å
162L94.5Very high89.8Confident85 Ų85100.5 Ų100.545%0.44547%0.473SS..Hα-helixtrans-62.3-43176.9-179.161.9000112Y158 Q165 E166Y158-L162 HydrophobicContact CE1-CD2 4.11Å; Y158-L162 VanDerWaalsContact O-CB 3.24Å; Y158-L162 WeakPolarHBondContact O-CB 3.38Å; Y158-L162 PolarHBondContact O-N 2.98Å; L162-Q165 PolarHBondContact O-N 2.81Å; L162-E166 PolarHBondContact O-N 3.41Å
163W94.3Very high88.2Confident147 Ų14798.5 Ų98.556%0.55747%0.468SS*.Hα-helixtrans-62.3-46.2174.2171.276000111.8F159 F160 E161 Q165 E166 M167F159-W163 VanDerWaalsContact O-CB 3.28Å; F159-W163 WeakPolarHBondContact O-CB 3.46Å; F159-W163 PolarHBondContact O-N 3.46Å; F159-W163 VanDerWaalsContact O-N 3.1Å; F160-W163 AromaticContact CD2-CE3 3.91Å; F160-W163 HydrophobicContact CD2-CE3 3.91Å; F160-W163 HydrophobicContact CD2-CZ3 4.12Å; F160-W163 AromaticContact CE2-CE3 3.9Å; F160-W163 HydrophobicContact CE2-CE3 3.9Å; F160-W163 AromaticContact CE2-CZ3 3.64Å; F160-W163 HydrophobicContact CE2-CZ3 3.64Å; F160-W163 HydrophobicContact CZ-CZ3 4.41Å; F160-W163 PolarHBondContact O-N 3.37Å; E161-W163 PolarHBondContact O-N 3.1Å; W163-Q165 VanDerWaalsContact C-N 3.3Å; W163-Q165 PolarHBondContact O-N 2.71Å; W163-E166 PolarHBondContact O-N 3.44Å; W163-M167 HydrophobicContact CD2-CG 4.08Å; W163-M167 HydrophobicContact CG-CG 4.3Å; W163-M167 HydrophobicContact CZ2-CG 3.9Å; W163-M167 HydrophobicContact CZ2-SD 4.49Å; W163-M167 VanDerWaalsContact O-CG 3.26Å; W163-M167 WeakPolarHBondContact O-CG 3.26Å; W163-M167 PolarHBondContact O-N 2.98Å
164R93.7Very high86.4Confident114 Ų11495.3 Ų95.343%0.4347%0.467SS..Hα-helixtrans-59.2-40.2177.8-173.7-172.977.7176.27111.8F160 E161 L168F160-R164 WeakPolarHBondContact O-CB 3.35Å; F160-R164 PolarHBondContact O-N 3.41Å; E161-R164 PolarHBondContact O-N 2.84Å; E161-R164 IonicContact OE1-CZ 2.86Å; E161-R164 IonicContact OE1-NE 3.11Å; E161-R164 IonicContact OE1-NH2 2.93Å; E161-R164 PolarHBondContact OE1-NH2 3.1Å; E161-R164 IonicContact OE2-CZ 3.3Å; E161-R164 IonicContact OE2-NE 2.77Å; E161-R164 PolarHBondContact OE2-NE 3.24Å; E161-R164 IonicContact OE2-NH1 3Å; E161-R164 PolarHBondContact OE2-NH1 2.84Å; E161-R164 IonicContact OE2-NH2 2.88Å; E161-R164 PolarHBondContact OE2-NH2 3.43Å; R164-L168 VanDerWaalsContact O-CB 3.31Å; R164-L168 WeakPolarHBondContact O-CB 3.48Å; R164-L168 PolarHBondContact O-N 3.45Å; R164-L168 VanDerWaalsContact O-N 3.08Å
165Q93.5Very high84.8Confident106 Ų106101 Ų10150%0.49548%0.481SS..Hα-helixtrans-65.3-43.8177.7-73.9175.221.100112.2E161 L162 W163 L168 K169E161-Q165 VanDerWaalsContact O-CG 3.31Å; E161-Q165 WeakPolarHBondContact O-CG 3.49Å; E161-Q165 PolarHBondContact O-N 2.78Å; E161-Q165 PolarHBondContact OE1-NE2 3.01Å; L162-Q165 PolarHBondContact O-N 2.81Å; W163-Q165 VanDerWaalsContact C-N 3.3Å; W163-Q165 PolarHBondContact O-N 2.71Å; Q165-L168 PolarHBondContact O-N 3.42Å; Q165-K169 WeakPolarHBondContact O-CB 3.42Å; Q165-K169 PolarHBondContact O-N 3.37Å; Q165-K169 VanDerWaalsContact O-N 3.14Å
166E91.3Very high83.1Confident84 Ų84104.2 Ų104.239%0.39349%0.493SS..Hα-helixtrans-67.6-45.1178.4-159.868.7-178.200111.3L162 W163 L168 K169 D170L162-E166 PolarHBondContact O-N 3.41Å; W163-E166 PolarHBondContact O-N 3.44Å; E166-L168 PolarHBondContact O-N 3.25Å; E166-K169 WeakPolarHBondContact O-CB 3.41Å; E166-K169 PolarHBondContact O-N 2.86Å; E166-K169 IonicContact OE1-NZ 3.41Å; E166-K169 PolarHBondContact OE1-NZ 2.87Å; E166-K169 WeakPolarHBondContact OE2-CD 3.35Å; E166-K169 IonicContact OE2-NZ 2.9Å; E166-K169 PolarHBondContact OE2-NZ 3.39Å; E166-D170 PolarHBondContact O-N 3.5Å; E166-D170 VanDerWaalsContact O-N 3.11Å
167M88.5Confident81.5Confident89 Ų89104.4 Ų104.444%0.43849%0.492SS..Hα-helixtrans-63.9-22.2176.6-62.4-68.69000114W163 D170 P171W163-M167 HydrophobicContact CD2-CG 4.08Å; W163-M167 HydrophobicContact CG-CG 4.3Å; W163-M167 HydrophobicContact CZ2-CG 3.9Å; W163-M167 HydrophobicContact CZ2-SD 4.49Å; W163-M167 VanDerWaalsContact O-CG 3.26Å; W163-M167 WeakPolarHBondContact O-CG 3.26Å; W163-M167 PolarHBondContact O-N 2.98Å; M167-D170 WeakPolarHBondContact CE-OD2 3.5Å; M167-P171 WeakPolarHBondContact O-CD 3.21Å
168L90.1Very high79.6Confident124 Ų124109.2 Ų109.265%0.64951%0.509SS*.Hα-helixtrans-88.2-19.5174.5-164.364.8000112.7R164 Q165 E166 P171R164-L168 VanDerWaalsContact O-CB 3.31Å; R164-L168 WeakPolarHBondContact O-CB 3.48Å; R164-L168 PolarHBondContact O-N 3.45Å; R164-L168 VanDerWaalsContact O-N 3.08Å; Q165-L168 PolarHBondContact O-N 3.42Å; E166-L168 PolarHBondContact O-N 3.25Å; L168-P171 WeakPolarHBondContact O-CD 3.18Å; L168-P171 WeakPolarHBondContact O-CG 3.45Å
169K87.5Confident77.8Confident95 Ų95108.8 Ų108.841%0.41352%0.519SS..Hα-helixtrans-84.1-34.7178.6167.6-177.2158.8-136.20112.6Q165 E166 E172 N173Q165-K169 WeakPolarHBondContact O-CB 3.42Å; Q165-K169 PolarHBondContact O-N 3.37Å; Q165-K169 VanDerWaalsContact O-N 3.14Å; E166-K169 WeakPolarHBondContact O-CB 3.41Å; E166-K169 PolarHBondContact O-N 2.86Å; E166-K169 IonicContact OE1-NZ 3.41Å; E166-K169 PolarHBondContact OE1-NZ 2.87Å; E166-K169 WeakPolarHBondContact OE2-CD 3.35Å; E166-K169 IonicContact OE2-NZ 2.9Å; E166-K169 PolarHBondContact OE2-NZ 3.39Å; K169-E172 WeakPolarHBondContact O-CB 3.06Å; K169-E172 PolarHBondContact O-N 3.07Å; K169-E172 VanDerWaalsContact O-N 3.14Å; K169-N173 PolarHBondContact O-N 2.82Å
170D74.7Confident76Confident72 Ų72107.2 Ų107.239%0.38552%0.522SS..Hα-helixtrans-54.5-47.5174-71.8-28.4000114.5E166 M167 E172 N173 S174E166-D170 PolarHBondContact O-N 3.5Å; E166-D170 VanDerWaalsContact O-N 3.11Å; M167-D170 WeakPolarHBondContact CE-OD2 3.5Å; D170-E172 VanDerWaalsContact C-N 3.31Å; D170-E172 PolarHBondContact O-N 3.41Å; D170-N173 PolarHBondContact O-N 3.22Å; D170-S174 WeakPolarHBondContact O-CB 3.48Å; D170-S174 PolarHBondContact O-N 3.06Å; D170-S174 PolarHBondContact O-OG 3.16Å
171P69.3Low73.7Confident49 Ų49105.9 Ų105.932%0.31853%0.528SS..Hα-helixtrans-69.5-23.6175.826.3-34.9000113.6M167 L168 R175M167-P171 WeakPolarHBondContact O-CD 3.21Å; L168-P171 WeakPolarHBondContact O-CD 3.18Å; L168-P171 WeakPolarHBondContact O-CG 3.45Å; P171-R175 WeakPolarHBondContact O-CG 3.27Å; P171-R175 PolarHBondContact O-N 2.78Å
172E65.1Low71.3Confident104 Ų104110.7 Ų110.749%0.48655%0.55SS.*Hα-helixtrans-70.6-47.4171.2-78.4-142.7167.800112.2K169 D170 S174 R175 K176K169-E172 WeakPolarHBondContact O-CB 3.06Å; K169-E172 PolarHBondContact O-N 3.07Å; K169-E172 VanDerWaalsContact O-N 3.14Å; D170-E172 VanDerWaalsContact C-N 3.31Å; D170-E172 PolarHBondContact O-N 3.41Å; E172-S174 VanDerWaalsContact C-N 3.31Å; E172-S174 PolarHBondContact O-N 2.89Å; E172-R175 PolarHBondContact O-N 2.78Å; E172-K176 WeakPolarHBondContact O-CG 3.37Å; E172-K176 PolarHBondContact O-N 3.34Å; E172-K176 VanDerWaalsContact O-N 3.12Å; E172-K176 IonicContact OE2-NZ 2.65Å; E172-K176 PolarHBondContact OE2-NZ 3.42Å
173N59Low69Low85 Ų85112.4 Ų112.446%0.45557%0.569SS.*Hα-helixtrans-62.8-41.4176.6-87.80.1000111.1K169 D170 R175 K176 V177K169-N173 PolarHBondContact O-N 2.82Å; D170-N173 PolarHBondContact O-N 3.22Å; N173-R175 VanDerWaalsContact C-N 3.25Å; N173-R175 PolarHBondContact O-N 3.11Å; N173-K176 PolarHBondContact O-N 2.98Å; N173-K176 VanDerWaalsContact O-N 3.1Å; N173-V177 WeakPolarHBondContact O-CG2 3.41Å; N173-V177 PolarHBondContact O-N 3.14Å
174S58.8Low66.8Low78 Ų78115.3 Ų115.355%0.54558%0.58SS.*Hα-helixtrans-57.6-35.3177.1-61.10000113.3D170 E172D170-S174 WeakPolarHBondContact O-CB 3.48Å; D170-S174 PolarHBondContact O-N 3.06Å; D170-S174 PolarHBondContact O-OG 3.16Å; E172-S174 VanDerWaalsContact C-N 3.31Å; E172-S174 PolarHBondContact O-N 2.89Å
175R60.2Low64.6Low183 Ų183115.7 Ų115.769%0.69160%0.598SS**Hα-helixtrans-73.9-41.9174.4-72.7169.4-178.9150.21.2112.2P171 E172 N173 K178P171-R175 WeakPolarHBondContact O-CG 3.27Å; P171-R175 PolarHBondContact O-N 2.78Å; E172-R175 PolarHBondContact O-N 2.78Å; N173-R175 VanDerWaalsContact C-N 3.25Å; N173-R175 PolarHBondContact O-N 3.11Å; R175-K178 PolarHBondContact O-N 3.33Å
176K59.8Low62.6Low113 Ų113118.1 Ų118.149%0.49161%0.614SS.*Hα-helixtrans-67.6-37.8-177.8-67.6163.7-166.61700112.2E172 N173 K178 V179E172-K176 WeakPolarHBondContact O-CG 3.37Å; E172-K176 PolarHBondContact O-N 3.34Å; E172-K176 VanDerWaalsContact O-N 3.12Å; E172-K176 IonicContact OE2-NZ 2.65Å; E172-K176 PolarHBondContact OE2-NZ 3.42Å; N173-K176 PolarHBondContact O-N 2.98Å; N173-K176 VanDerWaalsContact O-N 3.1Å; K176-K178 VanDerWaalsContact C-N 3.33Å; K176-K178 PolarHBondContact O-N 3.32Å; K176-V179 PolarHBondContact O-N 3Å
177V57.8Low60.4Low110 Ų110118 Ų11867%0.66764%0.636SS**Hα-helixtrans-62.2-36.4178.4170.30000112.6N173 V179 V180N173-V177 WeakPolarHBondContact O-CG2 3.41Å; N173-V177 PolarHBondContact O-N 3.14Å; V177-V179 PolarHBondContact O-N 2.77Å; V177-V179 VanDerWaalsContact O-N 3.16Å; V177-V180 PolarHBondContact O-N 2.75Å
178K55Low58.7Low191 Ų191121.2 Ų121.283%0.8365%0.654SS**THydrogen-bonded Turntrans-69.4-8-178.5-75.8-167.9173.3-171.40115.2R175 K176R175-K178 PolarHBondContact O-N 3.33Å; K176-K178 VanDerWaalsContact C-N 3.33Å; K176-K178 PolarHBondContact O-N 3.32Å
179V57.5Low57.1Low121 Ų121120.5 Ų120.573%0.73366%0.656SS**THydrogen-bonded Turntrans-97.9-13.1-177.5-175.40000112.7K176 V177K176-V179 PolarHBondContact O-N 3Å; V177-V179 PolarHBondContact O-N 2.77Å; V177-V179 VanDerWaalsContact O-N 3.16Å
180V57Low55.3Low126 Ų126122.1 Ų122.176%0.76468%0.677SS**SBendtrans-112.848.5-167.3-164.90000113V177V177-V180 PolarHBondContact O-N 2.75Å
181S44.5Very low54.1Low93 Ų93126.3 Ų126.365%0.6570%0.698SS**  trans-171.1120.3154.7560000108.1
182H46.3Very low53Low156 Ų156128.4 Ų128.472%0.72272%0.719SS**  cis-140.7118.844.2-94.961.6000112.4
183S46Very low52.1Low120 Ų120130.9 Ų130.984%0.83973%0.731SS**  trans-102.990157.947.60000109.1
184R47.5Very low51.4Low208 Ų208135.5 Ų135.579%0.78575%0.747SS**  trans-71.1135.3172.2-76-167.3175.7-1612109.8D186R184-D186 PolarHBondContact O-N 3.03Å
185P47.5Very low50.6Low123 Ų123139.9 Ų139.980%0.79976%0.757SS**  trans-88.193.417733.9-31.7000110.7
186D51.2Low49.6Very low157 Ų157139.5 Ų139.584%0.8476%0.763SS**  trans-150.7136.9159.9-94.3-47.8000110.2R184 L188R184-D186 PolarHBondContact O-N 3.03Å; D186-L188 PolarHBondContact O-N 2.71Å
187G45.7Very low48.7Very low82 Ų82141.5 Ų141.585%0.84578%0.778SS**  trans-84.853.5-160.200000116.4
188L51.8Low48.1Very low156 Ų156143.5 Ų143.582%0.81779%0.785SS**  trans-117.8129.2174-79.2165.1000111.4D186D186-L188 PolarHBondContact O-N 2.71Å
189P57.4Low47.4Very low109 Ų109144.7 Ų144.771%0.70879%0.785SS**PPolyproline II helixtrans-70141.8173.830.1-33.6000110.1L191P189-L191 PolarHBondContact O-N 3.1Å
190P50.1Low47.2Very low129 Ų129143.3 Ų143.384%0.83877%0.774SS**PPolyproline II helixtrans-59.6120.9170.2-21.332.9000109.8A192P190-A192 PolarHBondContact O-N 3.48Å
191L48.8Very low46.6Very low159 Ų159142.2 Ų142.283%0.83277%0.77SS**PPolyproline II helixtrans-67.9124.2173.4-168.1145.8000108P189 E193P189-L191 PolarHBondContact O-N 3.1Å; L191-E193 PolarHBondContact O-N 3.17Å
192A46.2Very low46.4Very low93 Ų93147.5 Ų147.577%0.76978%0.775SS**  trans-78.368.6-16800000112.5P190 K194P190-A192 PolarHBondContact O-N 3.48Å; A192-K194 PolarHBondContact O-N 3.49Å
193E46.1Very low46.1Very low156 Ų156149.3 Ų149.373%0.72978%0.784SS**  trans-73.4107.7173.7-170.2156.9-128.300110.2L191 F195L191-E193 PolarHBondContact O-N 3.17Å; E193-F195 HydrophobicContact CG-CD2 4.42Å; E193-F195 PolarHBondContact O-N 3.28Å
194K44.4Very low45.8Very low182 Ų182152.2 Ų152.279%0.79178%0.782SS**  trans-78.382.8-179.9-66.5-177.4177.6-174.90110.8A192 E196A192-K194 PolarHBondContact O-N 3.49Å; K194-E196 VanDerWaalsContact C-N 3.31Å; K194-E196 PolarHBondContact O-N 2.9Å; K194-E196 VanDerWaalsContact O-N 3.09Å
195F41.3Very low45.4Very low171 Ų171148.6 Ų148.675%0.7578%0.783SS**  trans-78.887.7161.1-111.5-86.5000110.1E193 L197E193-F195 HydrophobicContact CG-CD2 4.42Å; E193-F195 PolarHBondContact O-N 3.28Å; F195-L197 PolarHBondContact O-N 3.36Å
196E39.1Very low44.9Very low175 Ų175152.8 Ų152.882%0.81878%0.784SS**  trans-76.274.9176.4-166158.6178.600109.5K194 D198K194-E196 VanDerWaalsContact C-N 3.31Å; K194-E196 PolarHBondContact O-N 2.9Å; K194-E196 VanDerWaalsContact O-N 3.09Å; E196-D198 PolarHBondContact O-N 3.24Å; E196-D198 VanDerWaalsContact O-N 3.14Å
197L42.3Very low44.4Very low154 Ų154153 Ų15381%0.80679%0.785SS**  trans-74.298.6174.8-98.4167.9000110.1F195 Y199F195-L197 PolarHBondContact O-N 3.36Å; L197-Y199 PolarHBondContact O-N 2.86Å; L197-Y199 VanDerWaalsContact O-N 3.07Å
198D44Very low43.8Very low152 Ų152152.4 Ų152.481%0.81378%0.78SS**  trans-6698.3178.3-170.415.9000111.3E196 D200E196-D198 PolarHBondContact O-N 3.24Å; E196-D198 VanDerWaalsContact O-N 3.14Å; D198-D200 PolarHBondContact O-N 3.15Å
199Y41.6Very low43.2Very low216 Ų216153.6 Ų153.685%0.84778%0.78SS**  trans-93.378-177.3-156.1-87.1000111L197 P201L197-Y199 PolarHBondContact O-N 2.86Å; L197-Y199 VanDerWaalsContact O-N 3.07Å; Y199-P201 WeakPolarHBondContact O-CD 3.31Å
200D52.2Low42.3Very low93 Ų93155 Ų15550%0.49779%0.791SS.*  trans-52.5115.4-178-1758000112D198 R202D198-D200 PolarHBondContact O-N 3.15Å; D200-R202 VanDerWaalsContact CG-CD 3.5Å; D200-R202 PolarHBondContact O-N 2.88Å; D200-R202 WeakPolarHBondContact OD1-CG 3.34Å; D200-R202 WeakPolarHBondContact OD2-CD 3.09Å
201P43.9Very low41.8Very low103 Ų103153.7 Ų153.767%0.66979%0.791SS**  trans-78.948.9-168.732.4-37.4000114.2Y199 Q203Y199-P201 WeakPolarHBondContact O-CD 3.31Å; P201-Q203 VanDerWaalsContact C-N 3.31Å; P201-Q203 PolarHBondContact O-N 2.88Å
202R40.2Very low41.4Very low204 Ų204150.8 Ų150.877%0.7779%0.79SS**  trans-87.638.3-174.2-74.7177.979.2166.61.5115.9D200D200-R202 VanDerWaalsContact CG-CD 3.5Å; D200-R202 PolarHBondContact O-N 2.88Å; D200-R202 WeakPolarHBondContact OD1-CG 3.34Å; D200-R202 WeakPolarHBondContact OD2-CD 3.09Å
203Q41.2Very low41.2Very low194 Ų194153.4 Ų153.491%0.90779%0.791SS**  trans-124.171.8158.3-68.6-159.612.200111.3P201P201-Q203 VanDerWaalsContact C-N 3.31Å; P201-Q203 PolarHBondContact O-N 2.88Å
204K39.9Very low41.1Very low181 Ų181157.6 Ų157.679%0.78780%0.801SS**  trans-132.139176.4-102-172.6178.5178.20113.5
205T39.4Very low41Very low131 Ų131159.6 Ų159.680%0.80480%0.803SS**SBendtrans-130.632.5-177.949.40000114.8
206Y37.3Very low41Very low212 Ų212158.9 Ų158.983%0.83181%0.807SS**SBendtrans-150141.5149.6-117.1-86.8000108.9
207N38.7Very low41.2Very low160 Ų160162.3 Ų162.386%0.85681%0.812SS**SBendtrans61.382.8-173.4-52.8-38.9000115.6
208G34.4Very low41.2Very low71 Ų71162 Ų16273%0.73281%0.811SS**  trans154.658.616300000118.7
209H39.4Very low41.3Very low180 Ų180161.8 Ų161.883%0.83382%0.816SS**  trans-138.662.7170.6-92.5101.5000113.1
210C38.7Very low41.2Very low138 Ų138154.6 Ų154.693%0.93281%0.807SS**SBendtrans-131.530.7171-62.40000112.4
211A38.4Very low40.5Very low102 Ų102156.5 Ų156.584%0.84382%0.824SS**  trans-155.852.5-168.900000115.5
212A41.4Very low40.1Very low98 Ų98160.3 Ų160.381%0.8183%0.831SS**  trans-158.551.7171.400000115.4
213D42.2Very low40Very low148 Ų148157.5 Ų157.579%0.79183%0.828SS**  trans-116.4107.9151.9-159.1-4.4000109.8
214R42.7Very low39.6Very low245 Ų245152.7 Ų152.793%0.92582%0.816SS**  trans-14359.7-175.2-98.2-169173.5177.7-1110
215R42.6Very low39.5Very low224 Ų224149.6 Ų149.685%0.84581%0.813SS**  trans-131.4143.5158.5-73.5-173.7-80.7-164-4.6108.9
216N42.1Very low39.4Very low156 Ų156150.9 Ų150.983%0.83481%0.809SS**SBendtrans56.982.1-175.2-68.6-28.3000116.6
217R43.4Very low39.3Very low246 Ų246148 Ų14893%0.92881%0.807SS**  -169.9138.599.8-108.1174.8168.6153.5-3.5113.2
218D41.4Very low39.4Very low147 Ų147145.7 Ų145.779%0.78680%0.801SS**  trans-73.7-173.6163.9-53.5-88.9000111.8
219V46.7Very low39.5Very low149 Ų149146.9 Ų146.990%0.90380%0.798SS**  trans89119.5-176.1-172.40000113.7
220G39.7Very low39.5Very low65 Ų65145.3 Ų145.367%0.6779%0.794SS**  trans-86.4174.9-179.500000114.5
221P37.4Very low39.5Very low132 Ų132145 Ų14586%0.85778%0.783SS**  trans-96.9136.6-163.335.5-33.5000114.4
222F34.1Very low39.5Very low183 Ų183146.8 Ų146.880%0.80377%0.774SS**  trans-158.2148.4160.2-158-133.6000113.4
223M38.3Very low39.3Very low145 Ų145152 Ų15271%0.71477%0.773SS**  trans63.4135.7175.1-37.3-154.892.400115.6
224S34.5Very low39.1Very low94 Ų94154.1 Ų154.166%0.65778%0.778SS**  cis87.7119.926.4-167.80000115.5
225T36Very low38.9Very low116 Ų116146.3 Ų146.371%0.71277%0.774SS**  trans67.5143.1156.645.30000121.7
226H38.2Very low38.5Very low157 Ų157140.3 Ų140.373%0.72777%0.766SS**  trans90.6101.4158.7-65.6-69.6000124
227L35.5Very low38.4Very low151 Ų151145.3 Ų145.379%0.79177%0.773SS**  71.4-174.5127.2-54.4175000117.7
228P40.8Very low38Very low112 Ų112139.2 Ų139.273%0.72777%0.768SS**  -138.4-146.5-99.645.1-23.5000114.4
229S36.1Very low37.8Very low97 Ų97137.3 Ų137.368%0.67877%0.773SS**  trans76.7119.8179.1-67.30000115.3
230I40.5Very low37.2Very low146 Ų146135 Ų13575%0.74977%0.769SS**  79.3105.457.6-66.6163.7000111.3
231D37Very low36.9Very low131 Ų131137 Ų13770%0.70178%0.78SS**  -168.6139.4113.5-108.8-22.3000117.4
232H39.4Very low36.8Very low141 Ų141135.7 Ų135.765%0.65378%0.78SS**  trans61.3109.5141.8-80.760.2000125.4
233R35.9Very low36.7Very low208 Ų208132 Ų13279%0.78578%0.783SS**  106.3116.9123.1-76.3-176173.6-155.50.7122.8
234H39.9Very low36.4Very low192 Ų192129.1 Ų129.189%0.88978%0.783SS**  trans62.6110.1141.2-83.3-110.6000120.8
235G36.7Very low36.5Very low81 Ų81131.2 Ų131.284%0.83579%0.791SS**  trans-178.384.6165.400000110.4
236S35.6Very low36.4Very low98 Ų98132 Ų13269%0.68580%0.796SS**  trans-74.7142.9-176.8179.10000112.3
237W40.3Very low36.4Very low261 Ų261130.8 Ų130.899%0.98980%0.799SS**  -155.7139.6126.9-92.24.8000109.1
238S35.4Very low36.3Very low117 Ų117134.9 Ų134.982%0.81880%0.804SS**  trans-101.1134.3-166.6-60.20000113.7
239A36.6Very low36Very low108 Ų108137.4 Ų137.489%0.89381%0.812SS**  trans-142.291.2163.300000109.6
240A33.4Very low36Very low100 Ų100137 Ų13783%0.82681%0.809SS**  trans-123.3108.5-174.700000111.4
241A33.5Very low35.9Very low107 Ų107137 Ų13788%0.88481%0.81SS**  trans-172.560.4162.100000111.9
242A34.9Very low35.9Very low104 Ų104138.6 Ų138.686%0.8681%0.813SS**  trans-121.479.516800000109
243A33.1Very low35.9Very low105 Ų105142.8 Ų142.887%0.86883%0.825SS**  trans-69.7131.2177.400000110.1
244A31.9Very low35.7Very low86 Ų86140.1 Ų140.171%0.71182%0.823SS**  trans-79.9138.6-173.300000112.7
245V36.2Very low35.3Very low138 Ų138136.3 Ų136.384%0.83682%0.817SS**  trans-120.996153.2178.80000106.9V247V245-V247 PolarHBondContact O-N 3.05Å
246T33.3Very low35.3Very low131 Ų131138.8 Ų138.880%0.80482%0.816SS**  trans-83.3109.717551.40000109.9
247V38.7Very low35Very low132 Ų132138.2 Ų138.280%0.882%0.817SS**  trans-98134.8157.5179.90000107.4V245V245-V247 PolarHBondContact O-N 3.05Å
248R32.9Very low34.9Very low238 Ų238131.9 Ų131.990%0.89881%0.813SS**  trans-76.4137.6177.2-68.1171.8169.9144.1-6.6109.9
249D34.6Very low34.9Very low165 Ų165131.9 Ų131.988%0.88281%0.813SS**  trans-139.8158.8141.4-155.5-1.1000108.3
250S35.9Very low35Very low89 Ų89132.5 Ų132.562%0.62281%0.811SS**  trans-112.2161.4-163.9-74.10000114.4
251D38.7Very low35.3Very low146 Ų146133.5 Ų133.578%0.78181%0.812SS**  trans63.296.3153.4-55.8-31000119.1
252H37.7Very low35.5Very low163 Ų163134.6 Ų134.676%0.75581%0.812SS**  trans-1.5136.3137.5-69.7-82.3000118
253Y38Very low35.6Very low229 Ų229135 Ų13590%0.89881%0.809SS**  -142.4151.7111.7-96.2-72000111.1
254M32Very low36.1Very low152 Ų152137.1 Ų137.175%0.74981%0.811SS**  trans-139.8151-176.7-89.7-75.6146.300109.5
255C31.6Very low36.5Very low113 Ų113140 Ų14076%0.76481%0.813SS**  trans64.7159.3167.4-61.70000115.1
256T36.9Very low36.8Very low133 Ų133144.7 Ų144.782%0.81682%0.817SS**  cis-150.9160.5-16.96.80000108.4
257A30.1Very low36.9Very low86 Ų86141.6 Ų141.671%0.71181%0.811SS**  trans-73.3139.2177.400000113.2
258S36.6Very low36.8Very low127 Ų127141.4 Ų141.489%0.88882%0.815SS**  trans-158.1142.9151.9-82.90000111.6
259S36.3Very low37.2Very low117 Ų117141.1 Ų141.182%0.81882%0.815SS**  trans-74147.5-168.1-41.50000114.7
260S39.6Very low37.4Very low122 Ų122144.9 Ų144.985%0.85382%0.816SS**  -174.5147.9128.6-84.60000113
261S38Very low37.7Very low121 Ų121146 Ų14685%0.84682%0.824SS**  trans-85.7150.4-167.9-47.50000114.8
262S38.7Very low38.2Very low129 Ų129145 Ų14590%0.90283%0.826SS**  trans-158.1139.8143.8-83.40000110.1
263S37.1Very low38.3Very low113 Ų113142.9 Ų142.979%0.7983%0.829SS**  trans-102141.6-170.3500000112.7
264V42.7Very low38.6Very low149 Ų149142.4 Ų142.490%0.90383%0.825SS**  trans-137.7131160.9-142.60000109.2
265I40.1Very low39.5Very low147 Ų147140.8 Ų140.875%0.75483%0.826SS**  trans-100.3133.4-177.7-65167.8000108.6
266Y42.6Very low39.8Very low237 Ų237141.7 Ų141.793%0.92983%0.829SS**  trans-173151.5139.5-103.3-63000112.7
267G36.1Very low40.4Very low65 Ų65143.7 Ų143.767%0.6783%0.829SS**  trans9836.214600000119.8R269G267-R269 PolarHBondContact O-N 3.27Å
268S36.6Very low41.5Very low128 Ų128144.8 Ų144.890%0.89583%0.828SS**  trans-61.1110.7170.4-175.30000111.9
269R40.4Very low42.6Very low233 Ų233144.3 Ų144.388%0.87982%0.823SS**  trans-105.4124.4167.6-72.9-171.5-178.5-95.52.8109.4G267 S271G267-R269 PolarHBondContact O-N 3.27Å; R269-S271 PolarHBondContact O-N 2.98Å
270R40.1Very low43.7Very low244 Ų244144.5 Ų144.592%0.92182%0.821SS**PPolyproline II helixtrans-65.8123.7173-70.2-179.4171.2-164.9-3.9110.6
271S40.9Very low44.8Very low112 Ų112146.6 Ų146.678%0.78382%0.822SS**PPolyproline II helixtrans-69.8138.7160.1-630000109.9R269R269-S271 PolarHBondContact O-N 2.98Å
272P50.1Low46Very low125 Ų125145.9 Ų145.981%0.81281%0.814SS**PPolyproline II helixtrans-66.1141.1173.9-2032.9000111.9R274P272-R274 PolarHBondContact O-N 3.39Å
273S40.9Very low46.6Very low118 Ų118145.2 Ų145.283%0.82581%0.807SS**PPolyproline II helixtrans-64.6126.9170.936.30000110.7
274R44.2Very low47.3Very low219 Ų219145.9 Ų145.983%0.82681%0.806SS**PPolyproline II helixtrans-86.3123.6179.2-174.9-178-173.2-133.81.2110.1P272 T276P272-R274 PolarHBondContact O-N 3.39Å; R274-T276 PolarHBondContact O-N 3.47Å
275P49.1Very low47.4Very low118 Ų118146 Ų14677%0.76680%0.802SS**PPolyproline II helixtrans-64.4129.9172-21.133.6000111.5
276T38.1Very low47.9Very low133 Ų133146.5 Ų146.582%0.81680%0.803SS**  trans-103.380.117846.40000111.1R274R274-T276 PolarHBondContact O-N 3.47Å
277Q50.5Low48.3Very low175 Ų175140.6 Ų140.682%0.81879%0.793SS**  trans-152.1126.5165-162.9173.26.900110.7
278P53.8Low48.2Very low108 Ų108145.1 Ų145.170%0.70180%0.802SS**PPolyproline II helixtrans-76.9149.2165.232.9-32.8000110.3
279P58.7Low48.5Very low118 Ų118145 Ų14577%0.76680%0.796SS**PPolyproline II helixtrans-67.5149.8174.829.9-34.9000111.2
280P58.8Low48.5Very low121 Ų121138.7 Ų138.779%0.78679%0.788SS**PPolyproline II helixtrans-68.7151.4175.630-35.1000111.7
281L64Low48.4Very low166 Ų166133.9 Ų133.987%0.86979%0.785SS**PPolyproline II helixtrans-74.9144.7172.6-67.4167.9000110.5
282P62.3Low48.4Very low105 Ų105137.3 Ų137.368%0.68279%0.791SS**PPolyproline II helixtrans-70.5149.617330.9-34.6000111.1
283P52.5Low47.5Very low115 Ų115139.4 Ų139.475%0.74779%0.79SS**PPolyproline II helixtrans-69.8145.7174.230.4-34.6000111.2
284T50.8Low47.6Very low127 Ų127142.6 Ų142.678%0.77979%0.794SS**  trans-110.295171.9-58.60000108.6M286T284-M286 HydrophobicContact CG2-CG 4.28Å; T284-M286 PolarHBondContact O-N 3.41Å
285D43.9Very low47.2Very low151 Ų151136.2 Ų136.281%0.80779%0.788SS**  trans-76.3119.9168.3-72.3-50.6000109.7
286M51.6Low46.6Very low159 Ų159135.1 Ų135.178%0.78379%0.789SS**  trans-131.1112.8169.7-88.2-68.7-60.800107.7T284T284-M286 HydrophobicContact CG2-CG 4.28Å; T284-M286 PolarHBondContact O-N 3.41Å
287P50.7Low46.7Very low112 Ų112139.1 Ų139.173%0.72780%0.796SS**  trans-80.9130.9179.230.9-32.7000111.5
288D35.4Very low46.1Very low161 Ų161142.1 Ų142.186%0.86180%0.799SS**  trans-65.3142.3166.5-78.5-55.6000111.4
289T42Very low45.5Very low125 Ų125140.7 Ų140.777%0.76781%0.805SS**  trans-150105.1151.7-19.50000113.1
290S40.5Very low44.5Very low100 Ų100140.7 Ų140.770%0.69981%0.807SS**  trans41114.2146.8630000121
291V37Very low43.7Very low144 Ų144140.8 Ų140.887%0.87381%0.811SS**  trans-19.6141.4140.3-68.60000117.3
292M41.2Very low42.7Very low184 Ų184140.8 Ų140.891%0.90681%0.808SS**  trans-150.3141.7135.1-158.1159.7-171.200111.3
293E32.5Very low42Very low168 Ų168141.4 Ų141.479%0.78582%0.815SS**  trans-102.8142.6-175.3177.6-171.3155.400110.8
294M41.4Very low41.6Very low186 Ų186141.3 Ų141.392%0.91682%0.815SS**  trans-156.1156.1152.3-115.9170.7-15200113.1
295A36.3Very low41.3Very low85 Ų85143.3 Ų143.370%0.70282%0.821SS**  trans-101.8152.9-153.200000116
296A36.1Very low41.8Very low95 Ų95143.2 Ų143.279%0.78582%0.82SS**  trans43.5120.114300000120.4
297F41.7Very low42.4Very low217 Ų217140.9 Ų140.995%0.95282%0.816SS**  trans-136.3158.7135.3-129-90.5000112.2
298R36Very low43Very low237 Ų237141.2 Ų141.289%0.89482%0.818SS**  trans-110.7130.7-162.3-170.5-167.1-149.6-167.28.7111.1
299G41.7Very low44.3Very low79 Ų79139.3 Ų139.381%0.81482%0.815SS**  trans-165.1111.5173.800000113.1
300S37.8Very low45.5Very low117 Ų117139.1 Ų139.182%0.81882%0.816SS**  trans-99.6138.1178.5-53.30000111.4
301S43.2Very low47Very low123 Ų123139.9 Ų139.986%0.8682%0.818SS**  trans-152.1139.4147.3-164.60000111.7
302M41.6Very low48.3Very low166 Ų166138.9 Ų138.982%0.81882%0.815SS**  trans-71.8139-173.3-64-80.3120.400113.4
303S47.3Very low48.4Very low118 Ų118138 Ų13883%0.82581%0.813SS**  -168.7143.7127.2-79.10000110.1
304P44.8Very low49.2Very low113 Ų113136.2 Ų136.273%0.73481%0.814SS**  trans-87.9142.3-17533.9-34.1000113.2
305D44.2Very low49.1Very low169 Ų169134.3 Ų134.390%0.90481%0.807SS**  trans-67.6138.5167.7-112.3-38.8000110.9
306L55.8Low49.4Very low150 Ų150140 Ų14079%0.78582%0.816SS**  trans-107.7137.6178.6-72.5172.5000110.8
307P62.4Low49.5Very low109 Ų109140.4 Ų140.471%0.70881%0.813SS**PPolyproline II helixtrans-69.8151.6176.530.3-35.2000111.7
308P63.9Low49.3Very low120 Ų120138.4 Ų138.478%0.77981%0.812SS**PPolyproline II helixtrans-65.6146.8178.327.6-34.9000112.1
309P63.8Low49.5Very low121 Ų121134.6 Ų134.679%0.78681%0.809SS**PPolyproline II helixtrans-75.6149.7-173.930.6-35.9000113.3
310P65.8Low49.1Very low121 Ų121136.4 Ų136.479%0.78681%0.81SS**PPolyproline II helixtrans-75.8154.4175.732.2-35.6000112.6
311P71.8Confident49.2Very low116 Ų116135.5 Ų135.575%0.75381%0.809SS**PPolyproline II helixtrans-70.3153.7175.230.2-35.3000112.4
312P64.1Low49.1Very low123 Ų123135.5 Ų135.580%0.79980%0.804SS**PPolyproline II helixtrans-74.6136.1-172.829.6-35.4000113.4
313L43.4Very low49Very low164 Ų164134.8 Ų134.886%0.85980%0.802SS**PPolyproline II helixtrans-85.2127.9168.6-65.4173.5000110.4
314T50.4Low48.5Very low132 Ų132134.8 Ų134.881%0.8180%0.802SS**  trans-93.7111.4171.239.30000110.8
315N38.9Very low48.1Very low145 Ų145134.8 Ų134.878%0.77581%0.805SS**  trans-73.6135.9175.1-75.1-26.8000111.8
316F43.5Very low47.7Very low204 Ų204132.2 Ų132.290%0.89580%0.8SS**  trans-134.2142.1146.8-79.3-72.7000109.6
317S37.3Very low47Very low104 Ų104130.6 Ų130.673%0.72780%0.801SS**  trans-81.2139.6-151.2-51.30000115.6
318L37.7Very low45.9Very low176 Ų176129.8 Ų129.892%0.92180%0.804SS**  trans-86109.5155.9-72.6172.2000109.4
319N40.7Very low44.9Very low157 Ų157131.4 Ų131.484%0.8481%0.806SS**  trans-89.1117.4165.2-77.92.5000109
320S32.8Very low43.9Very low117 Ų117134.1 Ų134.182%0.81881%0.808SS**  trans-86.9129.6178.3-175.20000111.3
321A40.5Very low42.7Very low98 Ų98133.5 Ų133.581%0.8180%0.804SS**  trans-142.995169.100000109.8
322V40.4Very low41.2Very low123 Ų123134.7 Ų134.775%0.74581%0.81SS**  trans-49141.7171.4-74.30000113.7
323L39.4Very low40.1Very low151 Ų151132.7 Ų132.779%0.79180%0.803SS**  173.8134.4111.2-91.5163.5000114.1
324S37Very low40.1Very low117 Ų117131.2 Ų131.282%0.81880%0.801SS**  trans47.1141.2141.1-57.10000123.6
325S36.8Very low39.4Very low114 Ų114132.1 Ų132.180%0.79780%0.796SS**  trans-107.7152.9-179.951.50000114.3
326S35.2Very low39.2Very low115 Ų115130.8 Ų130.880%0.80479%0.793SS**  trans62.291.4139.4-176.90000121.5
327S40.5Very low38.7Very low115 Ų115129.2 Ų129.280%0.80479%0.786SS**  trans-161.7119.4130.336.60000108.4
328A41Very low38.6Very low93 Ų93132.8 Ų132.877%0.76979%0.791SS**  62.5100.58600000113.9
329D42.1Very low38.4Very low153 Ų153130.3 Ų130.382%0.81879%0.787SS**  -166.8-173.398.6-127.4-45.7000114.4
330Q43.8Very low38.1Very low178 Ų178133.2 Ų133.283%0.83279%0.792SS**  trans-60.3166.5-162.5-81.3-169.228.500121
331P40.2Very low38.2Very low108 Ų108131.2 Ų131.270%0.70179%0.79SS**  trans-105.7170.7-170.442.2-36.7000115.3
332T40Very low38Very low142 Ų142134.2 Ų134.287%0.87179%0.792SS**  trans-163.3149.2146.8-3.20000114.2
333A40.7Very low37.7Very low80 Ų80132.5 Ų132.566%0.66179%0.791SS**  trans60.4119.3149.900000122.7
334V44.2Very low37.5Very low134 Ų134132.5 Ų132.581%0.81279%0.792SS**  trans59.7154.7143.3-50.20000119.5
335E36.1Very low37.6Very low151 Ų151134.7 Ų134.771%0.70679%0.789SS**  cis-144.3160.6-0.8-146.8163.9-140.200110.5F337E335-F337 HydrophobicContact CB-CE2 4.43Å
336T33.2Very low37.9Very low116 Ų116137.2 Ų137.271%0.71279%0.793SS**  trans-95119.2-179.6-64.90000112.2
337F34.5Very low37.9Very low172 Ų172135.3 Ų135.375%0.75479%0.791SS**  trans-119.5119.9166.1-80.3-86.5000111.6E335E335-F337 HydrophobicContact CB-CE2 4.43Å
338H34.2Very low38.2Very low178 Ų178138.2 Ų138.282%0.82480%0.796SS**  trans-95.9126.2168.4-87.582.6000109.7
339C34.1Very low38.2Very low124 Ų124137.5 Ų137.584%0.83880%0.798SS**  trans-128.9121.7168.4-73.20000110.7
340K34.4Very low38.9Very low219 Ų219135.5 Ų135.595%0.95280%0.796SS**  trans-88.4131.1158.7-79.1176.7171.5176.10107.8
341G34.8Very low39.6Very low74 Ų74132.5 Ų132.576%0.76379%0.791SS**  trans-157116.2-179.700000111.9
342N35.2Very low40.9Very low161 Ų161132.9 Ų132.986%0.86179%0.794SS**  trans-73.4144.6-165.7-58.1-22.4000115.6
343A34Very low42.3Very low87 Ų87131.5 Ų131.572%0.71979%0.788SS**  trans71.7161.5134.800000121.6
344N36.5Very low43.7Very low151 Ų151133.4 Ų133.481%0.80779%0.793SS**  trans70.9137.9-174.4-54.3-1.4000113.5
345E39.2Very low45Very low163 Ų163132.7 Ų132.776%0.76279%0.791SS**  cis-152.1-177.20.1-142.1178.4120.300110.6
346L41.9Very low46.7Very low167 Ų167131.1 Ų131.187%0.87479%0.794SS**  trans72.4134.2176.7-45.5174.9000116.5
347G36.4Very low48.6Very low75 Ų75131 Ų13177%0.77380%0.795SS**  cis158.837.4-5.700000117.9
348I45.9Very low50.2Low176 Ų176128.9 Ų128.990%0.90380%0.799SS**  trans-129.5123.2174.5-56.7179.3000109.7
349G40.9Very low51.6Low78 Ų78128.3 Ų128.380%0.80480%0.801SS**PPolyproline II helixtrans-92.1138.6-169.400000115
350S56Low52.8Low111 Ų111130.8 Ų130.878%0.77681%0.805SS**PPolyproline II helixtrans-79.3150.8164.552.10000111.6
351P59.3Low53.7Low115 Ų115128.7 Ų128.775%0.74780%0.801SS**PPolyproline II helixtrans-66.2149.217628.7-35.2000112.1
352P66.9Low54.1Low116 Ų116131 Ų13175%0.75380%0.802SS**PPolyproline II helixtrans-73.8151.3-179.330.6-35.5000112.5
353P70.1Confident54.5Low114 Ų114131.6 Ų131.674%0.7481%0.805SS**PPolyproline II helixtrans-70.9155.2174.131-35.5000112.2
354P70.4Confident54.9Low120 Ų120131 Ų13178%0.77981%0.808SS**PPolyproline II helixtrans-68.5151.9177.129.3-35.4000112.4
355P70.1Confident55Low119 Ų119129.5 Ų129.577%0.77381%0.809SS**PPolyproline II helixtrans-71.8149.3-178.229.8-35.6000112.9
356P73.6Confident55.2Low118 Ų118129 Ų12977%0.76681%0.81SS**PPolyproline II helixtrans-72.5152.8176.231-35.5000112.4
357P72.1Confident55.2Low112 Ų112131 Ų13173%0.72781%0.807SS**PPolyproline II helixtrans-69.9153.2177.529.4-35.1000112.5
358P69.2Low55.3Low128 Ų128133.3 Ų133.383%0.83181%0.812SS**PPolyproline II helixtrans-66.9139.1-176.8-20.433.3000113.8
359L63.2Low55.2Low167 Ų167128.7 Ų128.787%0.87481%0.808SS**PPolyproline II helixtrans-80.6122.6170.8-65.9174.7000110.6M361L359-M361 PolarHBondContact O-N 2.9Å
360L59.5Low55Low176 Ų176130.5 Ų130.592%0.92181%0.808SS**  trans-76.9114.5170.8-74.9167.7000110.2
361M53.4Low54.3Low175 Ų175133.4 Ų133.486%0.86281%0.814SS**  trans-91.6123.1170.3-64.8-169.174.600110.5L359L359-M361 PolarHBondContact O-N 2.9Å
362P43.1Very low53.3Low122 Ų122131.4 Ų131.479%0.79282%0.815SS**  trans-87.3123.417232.7-30.6000110.8
363N43Very low52Low173 Ų173129.4 Ų129.493%0.92582%0.815SS**  trans-159.8134.5165.9-127.1-11.7000111
364G41.6Very low50.6Low75 Ų75129.6 Ų129.677%0.77382%0.819SS**  trans142.268.7179.700000114.7
365S39.5Very low49.1Very low119 Ų119129.9 Ų129.983%0.83282%0.819SS**  trans-85.6122.8174.6-178.90000111.5
366I42.7Very low47.8Very low152 Ų152133.4 Ų133.478%0.77983%0.825SS**  trans-136.9106.8169-66.5-173000110.9
367Y41.3Very low46.4Very low209 Ų209133.7 Ų133.782%0.8283%0.83SS**  trans42.4119.3143.3-70.8-91.2000123
368S38.9Very low45Very low124 Ų124131.6 Ų131.687%0.86783%0.829SS**  77.8114.6124-158.30000120.7
369G43.4Very low43.7Very low80 Ų80131.7 Ų131.783%0.82583%0.832SS**  trans-174.9121.3162.500000109.8
370S37Very low42.4Very low115 Ų115129.6 Ų129.680%0.80483%0.831SS**  trans-123.9175.1-176.5-169.90000111.3
371L41.2Very low41.3Very low172 Ų172127.2 Ų127.290%0.90183%0.828SS**  trans84.2142.5-164.8-70.365.9000114.1
372G38.4Very low40.5Very low74 Ų74123.5 Ų123.576%0.76382%0.819SS**  cis162.3120.4-1000000114.6
373G39.2Very low40.4Very low74 Ų74124.2 Ų124.276%0.76382%0.816SS**  trans72.3168.6176.900000115.1
374S41.8Very low40.1Very low118 Ų118121.9 Ų121.983%0.82581%0.809SS**  cis-163.8166.7-20.3-93.10000108.9
375T39Very low39.9Very low126 Ų126123.3 Ų123.377%0.77381%0.813SS**  trans-30.6145.7168.6470000116
376E43.7Very low39.9Very low193 Ų193122.9 Ų122.990%0.90282%0.817SS**  -155.9177.687.5-100.8171.1-14700115.5
377S43.7Very low39.5Very low124 Ų124119 Ų11987%0.86781%0.814SS**  trans-134.5147.8-157.259.90000115.8
378G41.8Very low39.6Very low68 Ų68115.2 Ų115.270%0.70182%0.819SS**  trans131.5160.7155.500000114.2
379S42.2Very low39.5Very low130 Ų130119.4 Ų119.491%0.90982%0.821SS**  cis-167.1154.2-19.6-104.40000108
380S36.3Very low39.5Very low122 Ų122120.6 Ų120.685%0.85382%0.817SS**  trans-97.6143.5-177.4-177.20000112.7
381C36.2Very low39.7Very low127 Ų127120.2 Ų120.286%0.85881%0.814SS**  trans-160.5150.9149.256.90000112.4
382S36.6Very low39.6Very low96 Ų96117 Ų11767%0.67181%0.806SS**  trans-121.3162.4171.257.40000109.8
383N40.5Very low39.7Very low137 Ų137119 Ų11973%0.73380%0.803SS**  trans151.7140131.9-74.7-10.1000116.2
384T37.8Very low39.9Very low125 Ų125124.3 Ų124.377%0.76781%0.809SS**  trans48.6107.7140.561.70000123.2
385A37Very low39.9Very low105 Ų105122.2 Ų122.287%0.86880%0.798SS**  48.5108.1114.500000122.6
386A39.6Very low39.9Very low109 Ų109123.3 Ų123.390%0.90181%0.805SS**  trans-162.5159.1141.400000109.4
387G34.5Very low39.7Very low71 Ų71117.2 Ų117.273%0.73279%0.794SS**  cis129.458.3-800000116
388S43.5Very low39.7Very low130 Ų130118.7 Ų118.791%0.90979%0.792SS**  trans-160.7167.7171.5-86.40000114.8
389K36.6Very low39.6Very low211 Ų211123.2 Ų123.292%0.91780%0.795SS**  trans-138.7152-177-62.4175.9-179.7175.30112.3
390S43.1Very low39.6Very low106 Ų106124.4 Ų124.474%0.74179%0.791SS**  trans-159.4141.5160.351.30000107.8
391S40.2Very low39.6Very low106 Ų106123 Ų12374%0.74179%0.787SS**  cis61.3133.546.174.70000112.6
392S40.2Very low39.9Very low104 Ų104122.1 Ų122.173%0.72778%0.782SS**  cis-178.1165.111.725.10000108.6
393T40.8Very low40.2Very low116 Ų116126.4 Ų126.471%0.71279%0.789SS**  cis-179.3163.7-10.9-86.70000108.5
394Q43.5Very low40.2Very low187 Ų187127.2 Ų127.287%0.87479%0.793SS**  trans71160.6170.8-77.1159.932.900117.8
395A40.6Very low40.4Very low73 Ų73127.2 Ų127.260%0.60379%0.792SS**  cis-171.8174.9-25.300000112.9
396T38.9Very low40.4Very low150 Ų150128 Ų12892%0.9279%0.787SS**  trans72.1149.2167.171.90000118.1
397G40.5Very low40.7Very low64 Ų64131.8 Ų131.866%0.6679%0.785SS**  cis174.2155.3-9.800000114.3
398N42.7Very low40.7Very low155 Ų155138 Ų13883%0.82980%0.796SS**  trans62.7165.8171.6-61.68.3000118.6
399E41Very low40.6Very low163 Ų163136.4 Ų136.476%0.76279%0.79SS**  cis165.6162.8-49.1-98.2-174.4-154.400109.7
400N41Very low40.9Very low155 Ų155131.1 Ų131.183%0.82979%0.786SS**  trans77.7125.2-176.7-49.3-72.8000115.7
401A37.3Very low41.4Very low93 Ų93131.2 Ų131.277%0.76979%0.787SS**  cis107.996.1500000117.5
402S42.4Very low42.2Very low108 Ų108133 Ų13376%0.75579%0.786SS**  trans-172.3120.6151.6-86.80000109.4
403K41.8Very low43.5Very low187 Ų187132.6 Ų132.681%0.81378%0.776SS**  96.898.370.5-83.7175.5-178.7174.30113.3
404N40.5Very low45.5Very low154 Ų154132.3 Ų132.382%0.82477%0.774SS**  trans171.9117.6138.9-85.2-15.8000107.5
405V41.9Very low47.3Very low124 Ų124132.2 Ų132.275%0.75277%0.766SS**  68100.461.8-179.10000109.9
406T37.4Very low49.4Very low122 Ų122131.6 Ų131.675%0.74876%0.757SS**  -171.317177.2-43.10000111.6
407Q46.9Very low51.6Low188 Ų188128.9 Ų128.988%0.87974%0.737SS**  trans82.8123.2163.1-56.2-164.9-0.300118
408Q34.9Very low53.7Low203 Ų203130.9 Ų130.995%0.94973%0.732SS**  trans-104.1133.1-178.1-63.1156.7-50.900109.8
409A40.1Very low55.8Low95 Ų95127.3 Ų127.379%0.78571%0.712SS**  trans-132.9117.9151.800000106.6S411A409-S411 VanDerWaalsContact C-N 3.35Å; A409-S411 PolarHBondContact O-N 2.68Å
410A43.1Very low57.9Low100 Ų100126.8 Ų126.883%0.82670%0.703SS**  trans-75.687.1-17400000110.6I412A410-I412 PolarHBondContact O-N 2.68Å
411S54.2Low59.9Low109 Ų109122 Ų12276%0.76269%0.685SS**  trans-6298.2166.155.40000109A409 D413A409-S411 VanDerWaalsContact C-N 3.35Å; A409-S411 PolarHBondContact O-N 2.68Å; S411-D413 PolarHBondContact O-N 2.87Å; S411-D413 VanDerWaalsContact O-N 3.08Å
412I56.6Low62Low143 Ų143123.1 Ų123.173%0.73368%0.677SS**  trans-54.5116.7173.4-67.8169.6000107.4A410 T414A410-I412 PolarHBondContact O-N 2.68Å; I412-T414 VanDerWaalsContact C-N 3.25Å; I412-T414 PolarHBondContact O-N 3.16Å
413D67.8Low64Low95 Ų95128.2 Ų128.251%0.50868%0.68SS.*  trans-77.179.2-172-172.9-10.2000110.2S411 R415 S416 D417S411-D413 PolarHBondContact O-N 2.87Å; S411-D413 VanDerWaalsContact O-N 3.08Å; D413-R415 PolarHBondContact O-N 3.14Å; D413-R415 VanDerWaalsContact O-N 3.11Å; D413-R415 WeakPolarHBondContact OD1-CB 3.41Å; D413-R415 PolarHBondContact OD1-N 3.31Å; D413-S416 PolarHBondContact O-N 2.78Å; D413-S416 PolarHBondContact OD1-N 3.15Å; D413-S416 WeakPolarHBondContact OD2-CB 3.49Å; D413-D417 PolarHBondContact O-N 3.26Å
414T82.4Confident66Low110 Ų110126 Ų12668%0.67567%0.673SS**Hα-helixtrans-56.5-24.1178.455.90000112.6I412 L418I412-T414 VanDerWaalsContact C-N 3.25Å; I412-T414 PolarHBondContact O-N 3.16Å; T414-L418 WeakPolarHBondContact O-CB 3.41Å; T414-L418 PolarHBondContact O-N 3.46Å
415R81.4Confident68Low185 Ų185120.7 Ų120.770%0.69865%0.654SS**Hα-helixtrans-77-45.2175-174.2-175.4-178.792.3-0.2111.2D413 L419D413-R415 PolarHBondContact O-N 3.14Å; D413-R415 VanDerWaalsContact O-N 3.11Å; D413-R415 WeakPolarHBondContact OD1-CB 3.41Å; D413-R415 PolarHBondContact OD1-N 3.31Å; R415-L419 HydrophobicContact CG-CD1 4.31Å; R415-L419 WeakPolarHBondContact O-CB 3.48Å; R415-L419 VanDerWaalsContact O-CG 3.22Å; R415-L419 WeakPolarHBondContact O-CG 3.4Å; R415-L419 PolarHBondContact O-N 3.33Å
416S85.1Confident69.7Low60 Ų60122.3 Ų122.342%0.4266%0.657SS.*Hα-helixtrans-62.7-42.4173.7-178.60000111.5D413 L419 R420D413-S416 PolarHBondContact O-N 2.78Å; D413-S416 PolarHBondContact OD1-N 3.15Å; D413-S416 WeakPolarHBondContact OD2-CB 3.49Å; S416-L419 CarbonylContact O-C 3.55Å; S416-L419 PolarHBondContact O-N 3.44Å; S416-R420 WeakPolarHBondContact O-CB 3.22Å; S416-R420 PolarHBondContact O-N 3.15Å
417D85.1Confident71.4Confident94 Ų94125.4 Ų125.450%0.50366%0.663SS.*Hα-helixtrans-72-36.9-179.9-148.244.1000112.4D413 L419 R420 A421D413-D417 PolarHBondContact O-N 3.26Å; D417-L419 PolarHBondContact O-N 2.89Å; D417-R420 VanDerWaalsContact O-CB 3.32Å; D417-R420 WeakPolarHBondContact O-CB 3.48Å; D417-R420 PolarHBondContact O-N 3.41Å; D417-R420 VanDerWaalsContact O-N 3.14Å; D417-A421 PolarHBondContact O-N 2.9Å
418L84.6Confident72.1Confident106 Ų106123.9 Ų123.956%0.55566%0.66SS**Hα-helixtrans-59.1-44.5167.117663.3000111.8T414 R420 A421 I422T414-L418 WeakPolarHBondContact O-CB 3.41Å; T414-L418 PolarHBondContact O-N 3.46Å; L418-R420 VanDerWaalsContact C-N 3.27Å; L418-R420 PolarHBondContact O-N 3.14Å; L418-A421 PolarHBondContact O-N 3.16Å; L418-I422 HydrophobicContact CD1-CD1 4Å; L418-I422 HydrophobicContact CD1-CG1 4.35Å; L418-I422 HydrophobicContact CG-CD1 3.91Å; L418-I422 WeakPolarHBondContact O-CB 3.34Å; L418-I422 VanDerWaalsContact O-CG1 3.24Å; L418-I422 WeakPolarHBondContact O-CG1 3.35Å; L418-I422 PolarHBondContact O-N 2.88Å
419L86.6Confident73.7Confident79 Ų79122.1 Ų122.141%0.41465%0.649SS.*Hα-helixtrans-66.3-29.2175.6-72.8169000112.2R415 S416 D417 R423R415-L419 HydrophobicContact CG-CD1 4.31Å; R415-L419 WeakPolarHBondContact O-CB 3.48Å; R415-L419 VanDerWaalsContact O-CG 3.22Å; R415-L419 WeakPolarHBondContact O-CG 3.4Å; R415-L419 PolarHBondContact O-N 3.33Å; S416-L419 CarbonylContact O-C 3.55Å; S416-L419 PolarHBondContact O-N 3.44Å; D417-L419 PolarHBondContact O-N 2.89Å; L419-R423 WeakPolarHBondContact O-CB 3.33Å; L419-R423 WeakPolarHBondContact O-CD 3.47Å; L419-R423 WeakPolarHBondContact O-CG 3.4Å; L419-R423 PolarHBondContact O-N 3.32Å; L419-R423 VanDerWaalsContact O-N 3.08Å
420R85Confident75.1Confident153 Ų153127 Ų12758%0.57765%0.652SS**Hα-helixtrans-69.5-47.4173.5-160.4-179.6-145.9150.14.8111.1S416 D417 L418 I422 R423 Q424S416-R420 WeakPolarHBondContact O-CB 3.22Å; S416-R420 PolarHBondContact O-N 3.15Å; D417-R420 VanDerWaalsContact O-CB 3.32Å; D417-R420 WeakPolarHBondContact O-CB 3.48Å; D417-R420 PolarHBondContact O-N 3.41Å; D417-R420 VanDerWaalsContact O-N 3.14Å; L418-R420 VanDerWaalsContact C-N 3.27Å; L418-R420 PolarHBondContact O-N 3.14Å; R420-I422 PolarHBondContact O-N 3.26Å; R420-R423 PolarHBondContact O-N 3.14Å; R420-Q424 WeakPolarHBondContact O-CB 3.48Å; R420-Q424 WeakPolarHBondContact O-CG 3.4Å; R420-Q424 PolarHBondContact O-N 3.43Å
421A82.8Confident76Confident54 Ų54126.5 Ų126.545%0.44664%0.639SS.*Hα-helixtrans-61.5-42.5175.300000112.1D417 L418 R423 Q424 G425D417-A421 PolarHBondContact O-N 2.9Å; L418-A421 PolarHBondContact O-N 3.16Å; A421-R423 VanDerWaalsContact C-N 3.32Å; A421-R423 PolarHBondContact O-N 3.44Å; A421-Q424 PolarHBondContact O-N 3.37Å; A421-G425 PolarHBondContact O-N 3.16Å
422I80.4Confident76.6Confident117 Ų117125.4 Ų125.460%0.663%0.625SS**Hα-helixtrans-62.1-38.6174.6-69.8165.8000111.4L418 R420L418-I422 HydrophobicContact CD1-CD1 4Å; L418-I422 HydrophobicContact CD1-CG1 4.35Å; L418-I422 HydrophobicContact CG-CD1 3.91Å; L418-I422 WeakPolarHBondContact O-CB 3.34Å; L418-I422 VanDerWaalsContact O-CG1 3.24Å; L418-I422 WeakPolarHBondContact O-CG1 3.35Å; L418-I422 PolarHBondContact O-N 2.88Å; R420-I422 PolarHBondContact O-N 3.26Å
423R86.1Confident77.2Confident214 Ų214127.3 Ų127.381%0.80862%0.623SS**Hα-helixtrans-73.9-32.9177.5-75.9170.9-179.6-171.21.2113.9L419 R420 A421L419-R423 WeakPolarHBondContact O-CB 3.33Å; L419-R423 WeakPolarHBondContact O-CD 3.47Å; L419-R423 WeakPolarHBondContact O-CG 3.4Å; L419-R423 PolarHBondContact O-N 3.32Å; L419-R423 VanDerWaalsContact O-N 3.08Å; R420-R423 PolarHBondContact O-N 3.14Å; A421-R423 VanDerWaalsContact C-N 3.32Å; A421-R423 PolarHBondContact O-N 3.44Å
424Q82.1Confident77.3Confident142 Ų142128.7 Ų128.766%0.66463%0.626SS**Hα-helixtrans-80-25.8178.4-73.5175.3-2100112.5R420 A421R420-Q424 WeakPolarHBondContact O-CB 3.48Å; R420-Q424 WeakPolarHBondContact O-CG 3.4Å; R420-Q424 PolarHBondContact O-N 3.43Å; A421-Q424 PolarHBondContact O-N 3.37Å
425G82.7Confident76.9Confident42 Ų42127.5 Ų127.543%0.43361%0.612SS.*  trans76.9157.6-175.800000112.6A421 Q427A421-G425 PolarHBondContact O-N 3.16Å; G425-Q427 PolarHBondContact O-N 3.2Å
426I78.3Confident76.3Confident157 Ų157123.9 Ų123.981%0.80560%0.604SS**  trans-78.6103.8175.8-61.1175000108.3L428I426-L428 HydrophobicContact CG2-CD2 4.03Å; I426-L428 HydrophobicContact CG2-CG 4.44Å; I426-L428 PolarHBondContact O-N 2.82Å; I426-L428 VanDerWaalsContact O-N 3.14Å
427Q72.9Confident75.6Confident188 Ų188125.7 Ų125.788%0.87961%0.605SS**  trans-71.7103.8164.1-67.2-158.431.200108.9G425 K429G425-Q427 PolarHBondContact O-N 3.2Å; Q427-K429 PolarHBondContact O-N 3.11Å
428L61.9Low75Confident155 Ų155127.3 Ų127.381%0.81261%0.61SS**PPolyproline II helixtrans-66.7117.3172.9-66.2170.6000108.9I426 K430I426-L428 HydrophobicContact CG2-CD2 4.03Å; I426-L428 HydrophobicContact CG2-CG 4.44Å; I426-L428 PolarHBondContact O-N 2.82Å; I426-L428 VanDerWaalsContact O-N 3.14Å; L428-K430 PolarHBondContact O-N 3.37Å
429K69.1Low74.3Confident167 Ų167129.3 Ų129.373%0.72661%0.61SS**PPolyproline II helixtrans-54.3129.9166.7-172-173.2178.3-162.10107.5Q427 V431Q427-K429 PolarHBondContact O-N 3.11Å; K429-V431 PolarHBondContact O-N 3.4Å; K429-V431 VanDerWaalsContact O-N 3.15Å
430K68.7Low73.5Confident197 Ų197131.6 Ų131.686%0.85762%0.619SS**PPolyproline II helixtrans-54.9123.7173.8-74.4-177.2176.1179.90108.2L428 N432L428-K430 PolarHBondContact O-N 3.37Å; K430-N432 PolarHBondContact O-N 3.3Å
431V61.6Low72.8Confident90 Ų90129.4 Ų129.455%0.54562%0.618SS.*PPolyproline II helixtrans-61.6121.9176.9177.30000107.6K429 R433 E436K429-V431 PolarHBondContact O-N 3.4Å; K429-V431 VanDerWaalsContact O-N 3.15Å; V431-R433 PolarHBondContact O-N 3.48Å; V431-E436 HydrophobicContact CG1-CB 3.87Å; V431-E436 HydrophobicContact CG1-CG 4.38Å
432N67.4Low72.3Confident86 Ų86131.8 Ų131.846%0.4662%0.624SS.*PPolyproline II helixtrans-77.7119.2174.8-155.645.5000106.9K430 E434 E435 E436K430-N432 PolarHBondContact O-N 3.3Å; N432-E434 PolarHBondContact ND2-OE2 2.95Å; N432-E434 PolarHBondContact O-N 3.36Å; N432-E435 HydrophobicContact CB-CB 4.18Å; N432-E435 WeakPolarHBondContact O-CA 3.44Å; N432-E435 WeakPolarHBondContact O-CB 3.38Å; N432-E435 PolarHBondContact O-N 3.15Å; N432-E436 PolarHBondContact O-N 2.9Å
433R69.9Low71.7Confident183 Ų183128.4 Ų128.469%0.69161%0.613SS**Hα-helixtrans-57.4-30.9-168.5-168.4178.8-179.6104.6-1.4112.9V431 E436 Q437V431-R433 PolarHBondContact O-N 3.48Å; R433-E436 PolarHBondContact O-N 3.19Å; R433-Q437 WeakPolarHBondContact O-CG 3.47Å; R433-Q437 PolarHBondContact O-N 2.77Å
434E68.9Low70.6Confident124 Ų124121.7 Ų121.758%0.57960%0.596SS**Hα-helixtrans-66.3-40.3175-61.1154.7163.400112.4N432 E436 Q437 Q438N432-E434 PolarHBondContact ND2-OE2 2.95Å; N432-E434 PolarHBondContact O-N 3.36Å; E434-E436 VanDerWaalsContact C-N 3.25Å; E434-E436 PolarHBondContact O-N 3.11Å; E434-Q437 PolarHBondContact O-N 2.94Å; E434-Q438 WeakPolarHBondContact O-CB 3.39Å; E434-Q438 WeakPolarHBondContact O-CG 3.43Å; E434-Q438 PolarHBondContact O-N 2.88Å
435E73.4Confident69.7Low84 Ų84122.7 Ų122.739%0.39360%0.603SS.*Hα-helixtrans-76-14.1179.5-168.9-175.5-142.800112.3N432 R439N432-E435 HydrophobicContact CB-CB 4.18Å; N432-E435 WeakPolarHBondContact O-CA 3.44Å; N432-E435 WeakPolarHBondContact O-CB 3.38Å; N432-E435 PolarHBondContact O-N 3.15Å; E435-R439 PolarHBondContact O-NE 3.34Å; E435-R439 PolarHBondContact O-NH2 2.98Å
436E68.9Low68.9Low110 Ų110123.6 Ų123.651%0.51461%0.606SS.*Hα-helixtrans-86.2-47.8168.6-170.7163.9-13400110.4V431 N432 R433 E434 Q438 R439 E440V431-E436 HydrophobicContact CG1-CB 3.87Å; V431-E436 HydrophobicContact CG1-CG 4.38Å; N432-E436 PolarHBondContact O-N 2.9Å; R433-E436 PolarHBondContact O-N 3.19Å; E434-E436 VanDerWaalsContact C-N 3.25Å; E434-E436 PolarHBondContact O-N 3.11Å; E436-Q438 VanDerWaalsContact C-N 3.34Å; E436-Q438 PolarHBondContact O-N 2.95Å; E436-R439 PolarHBondContact O-N 3.2Å; E436-R439 VanDerWaalsContact O-N 3.16Å; E436-E440 PolarHBondContact O-N 2.84Å
437Q70.9Confident67.9Low97 Ų97117.9 Ų117.945%0.45359%0.585SS.*Hα-helixtrans-64.4-32.7176.2-73.4-179.5-43.100113.8R433 E434 E440 N441R433-Q437 WeakPolarHBondContact O-CG 3.47Å; R433-Q437 PolarHBondContact O-N 2.77Å; E434-Q437 PolarHBondContact O-N 2.94Å; Q437-E440 PolarHBondContact O-N 2.89Å; Q437-N441 PolarHBondContact O-N 3.16Å; Q437-N441 PolarHBondContact O-ND2 3.08Å
438Q73.5Confident67.7Low128 Ų128117.4 Ų117.460%0.59858%0.583SS**Hα-helixtrans-65.2-46.4171-78.5175.1-18.600110.9E434 E436 E440 N441 D442E434-Q438 WeakPolarHBondContact O-CB 3.39Å; E434-Q438 WeakPolarHBondContact O-CG 3.43Å; E434-Q438 PolarHBondContact O-N 2.88Å; E436-Q438 VanDerWaalsContact C-N 3.34Å; E436-Q438 PolarHBondContact O-N 2.95Å; Q438-E440 VanDerWaalsContact C-N 3.31Å; Q438-E440 PolarHBondContact O-N 3.36Å; Q438-N441 PolarHBondContact O-N 2.86Å; Q438-D442 WeakPolarHBondContact O-CB 3.46Å; Q438-D442 VanDerWaalsContact O-CG 3.28Å; Q438-D442 PolarHBondContact O-N 3.39Å
439R70Confident68.3Low148 Ų148113.7 Ų113.756%0.55856%0.564SS**Hα-helixtrans-66.6-29.2175.6-89.9-179.8-69.9177.4-6114E435 E436 A443E435-R439 PolarHBondContact O-NE 3.34Å; E435-R439 PolarHBondContact O-NH2 2.98Å; E436-R439 PolarHBondContact O-N 3.2Å; E436-R439 VanDerWaalsContact O-N 3.16Å; R439-A443 WeakPolarHBondContact O-CB 3.41Å; R439-A443 PolarHBondContact O-N 3.5Å
440E68.6Low68.7Low128 Ų128110.6 Ų110.660%0.59856%0.559SS**Hα-helixtrans-66.9-45.6172.1-169.5175.9-170.200110.8E436 Q437 Q438 A443 V444E436-E440 PolarHBondContact O-N 2.84Å; Q437-E440 PolarHBondContact O-N 2.89Å; Q438-E440 VanDerWaalsContact C-N 3.31Å; Q438-E440 PolarHBondContact O-N 3.36Å; E440-A443 PolarHBondContact O-N 2.96Å; E440-V444 WeakPolarHBondContact O-CG2 3.4Å; E440-V444 PolarHBondContact O-N 2.92Å
441N71.1Confident69.1Low106 Ų106104 Ų10457%0.56754%0.541SS*.Hα-helixtrans-61.9-46.4172.4-82.5-82.8000112.1Q437 Q438 A443 V444 M445Q437-N441 PolarHBondContact O-N 3.16Å; Q437-N441 PolarHBondContact O-ND2 3.08Å; Q438-N441 PolarHBondContact O-N 2.86Å; N441-A443 VanDerWaalsContact C-N 3.3Å; N441-A443 PolarHBondContact O-N 3.43Å; N441-V444 PolarHBondContact O-N 2.87Å; N441-M445 WeakPolarHBondContact O-CB 3.24Å; N441-M445 VanDerWaalsContact O-CG 3.29Å; N441-M445 WeakPolarHBondContact O-CG 3.44Å; N441-M445 PolarHBondContact O-N 3.18Å
442D72.5Confident69.7Low104 Ų104100.3 Ų100.356%0.55652%0.52SS*.Hα-helixtrans-60.9-38.2177.4-69.1-26000111.6Q438 M445 A446Q438-D442 WeakPolarHBondContact O-CB 3.46Å; Q438-D442 VanDerWaalsContact O-CG 3.28Å; Q438-D442 PolarHBondContact O-N 3.39Å; D442-M445 PolarHBondContact O-N 2.93Å; D442-A446 WeakPolarHBondContact O-CB 3.39Å; D442-A446 PolarHBondContact O-N 3.5Å
443A66.5Low70.1Confident47 Ų47100.7 Ų100.739%0.38852%0.521SS..Hα-helixtrans-68.9-39.4176.600000112.6R439 E440 N441 G447R439-A443 WeakPolarHBondContact O-CB 3.41Å; R439-A443 PolarHBondContact O-N 3.5Å; E440-A443 PolarHBondContact O-N 2.96Å; N441-A443 VanDerWaalsContact C-N 3.3Å; N441-A443 PolarHBondContact O-N 3.43Å; A443-G447 PolarHBondContact O-N 2.68Å
444V63.7Low70.6Confident72 Ų7296.4 Ų96.444%0.43651%0.512SS..Hα-helixtrans-64.4-43.9173.7169.30000110.8E440 N441 G447E440-V444 WeakPolarHBondContact O-CG2 3.4Å; E440-V444 PolarHBondContact O-N 2.92Å; N441-V444 PolarHBondContact O-N 2.87Å; V444-G447 PolarHBondContact O-N 2.9Å
445M63.6Low71Confident164 Ų16496 Ų9681%0.80851%0.508SS*.Hα-helixtrans-70.9-36.3177.9-70-68.9-81.900112.8N441 D442 G447N441-M445 WeakPolarHBondContact O-CB 3.24Å; N441-M445 VanDerWaalsContact O-CG 3.29Å; N441-M445 WeakPolarHBondContact O-CG 3.44Å; N441-M445 PolarHBondContact O-N 3.18Å; D442-M445 PolarHBondContact O-N 2.93Å; M445-G447 PolarHBondContact O-N 3.48Å
446A65.3Low71.2Confident61 Ų61100.5 Ų100.550%0.50452%0.521SS..Hα-helixtrans-70.4-12.117700000113.4D442 H448D442-A446 WeakPolarHBondContact O-CB 3.39Å; D442-A446 PolarHBondContact O-N 3.5Å; A446-H448 VanDerWaalsContact C-N 3.27Å; A446-H448 PolarHBondContact O-N 3.23Å; A446-H448 VanDerWaalsContact O-N 3.11Å; A446-H448 PolarHBondContact O-ND1 3.38Å
447G58.5Low71.8Confident36 Ų36101.8 Ų101.837%0.37152%0.521SS..THydrogen-bonded Turntrans68.213.5163.500000116.8A443 V444 M445A443-G447 PolarHBondContact O-N 2.68Å; V444-G447 PolarHBondContact O-N 2.9Å; M445-G447 PolarHBondContact O-N 3.48Å
448H66.9Low72.1Confident178 Ų178103.1 Ų103.182%0.82453%0.529SS*.  trans-99.7-3.6-177.9-77.480000114.4A446A446-H448 VanDerWaalsContact C-N 3.27Å; A446-H448 PolarHBondContact O-N 3.23Å; A446-H448 VanDerWaalsContact O-N 3.11Å; A446-H448 PolarHBondContact O-ND1 3.38Å
449D74.7Confident72.1Confident78 Ų78100.5 Ų100.542%0.41752%0.517SS..SBendtrans-86.8138.7173.8-177.714.8000111.8A451 A452 I453D449-A451 VanDerWaalsContact C-N 3.25Å; D449-A451 PolarHBondContact O-N 2.9Å; D449-A451 PolarHBondContact OD1-N 3.13Å; D449-A451 VanDerWaalsContact OD1-N 3.12Å; D449-A451 WeakPolarHBondContact OD2-CB 3.45Å; D449-A452 HydrophobicContact CB-CB 4.2Å; D449-A452 PolarHBondContact O-N 2.86Å; D449-I453 WeakPolarHBondContact O-CD1 3.45Å; D449-I453 VanDerWaalsContact O-CG1 3.27Å; D449-I453 WeakPolarHBondContact O-CG1 3.26Å; D449-I453 PolarHBondContact O-N 3.38Å
450V78.5Confident72.5Confident101 Ų101100 Ų10061%0.61252%0.524SS*.Hα-helixtrans-59.3-36.5173.8-177.60000110.9I453 L454V450-I453 PolarHBondContact O-N 2.81Å; V450-L454 HydrophobicContact CG1-CD1 3.98Å; V450-L454 HydrophobicContact CG1-CG 4.4Å; V450-L454 WeakPolarHBondContact O-CB 3.19Å; V450-L454 VanDerWaalsContact O-CG 3.28Å; V450-L454 WeakPolarHBondContact O-CG 3.39Å; V450-L454 PolarHBondContact O-N 2.86Å
451A75.9Confident72.7Confident58 Ų5899.6 Ų99.648%0.47953%0.531SS..Hα-helixtrans-67.2-42.617700000112D449 L454 K455D449-A451 VanDerWaalsContact C-N 3.25Å; D449-A451 PolarHBondContact O-N 2.9Å; D449-A451 PolarHBondContact OD1-N 3.13Å; D449-A451 VanDerWaalsContact OD1-N 3.12Å; D449-A451 WeakPolarHBondContact OD2-CB 3.45Å; A451-L454 PolarHBondContact O-N 2.82Å; A451-K455 PolarHBondContact O-N 2.94Å
452A74.5Confident72.5Confident14 Ų14104.2 Ų104.212%0.11654%0.54CS..Hα-helixtrans-63.9-42.2174.700000112.2D449 L454 K455 R456D449-A452 HydrophobicContact CB-CB 4.2Å; D449-A452 PolarHBondContact O-N 2.86Å; A452-L454 PolarHBondContact O-N 3.42Å; A452-K455 PolarHBondContact O-N 3Å; A452-R456 WeakPolarHBondContact O-CB 3.39Å; A452-R456 PolarHBondContact O-N 3Å
453I75.8Confident71.8Confident93 Ų93101 Ų10148%0.47753%0.532SS..Hα-helixtrans-62.5-41.8175-67.7163.6000111D449 V450 R457D449-I453 WeakPolarHBondContact O-CD1 3.45Å; D449-I453 VanDerWaalsContact O-CG1 3.27Å; D449-I453 WeakPolarHBondContact O-CG1 3.26Å; D449-I453 PolarHBondContact O-N 3.38Å; V450-I453 PolarHBondContact O-N 2.81Å; I453-R457 VanDerWaalsContact O-CB 3.24Å; I453-R457 WeakPolarHBondContact O-CB 3.38Å; I453-R457 PolarHBondContact O-N 3.3Å
454L80.8Confident70.9Confident94 Ų94103.9 Ų103.949%0.49255%0.548SS..Hα-helixtrans-67.9-41.3175.8-76.2170.3000112.4V450 A451 A452 R457 M458V450-L454 HydrophobicContact CG1-CD1 3.98Å; V450-L454 HydrophobicContact CG1-CG 4.4Å; V450-L454 WeakPolarHBondContact O-CB 3.19Å; V450-L454 VanDerWaalsContact O-CG 3.28Å; V450-L454 WeakPolarHBondContact O-CG 3.39Å; V450-L454 PolarHBondContact O-N 2.86Å; A451-L454 PolarHBondContact O-N 2.82Å; A452-L454 PolarHBondContact O-N 3.42Å; L454-R457 PolarHBondContact O-N 3.14Å; L454-M458 WeakPolarHBondContact O-CG 3.49Å; L454-M458 PolarHBondContact O-N 3.48Å
455K77.9Confident70.1Confident114 Ų114105 Ų10550%0.49656%0.559SS.*Hα-helixtrans-58.5-56.4174.1-173.9-166.8167.2-169.40110.4A451 A452 R457 M458 E459A451-K455 PolarHBondContact O-N 2.94Å; A452-K455 PolarHBondContact O-N 3Å; K455-R457 PolarHBondContact O-N 3.44Å; K455-M458 CarbonylContact O-C 3.56Å; K455-M458 WeakPolarHBondContact O-CA 3.44Å; K455-M458 WeakPolarHBondContact O-CB 3.28Å; K455-M458 PolarHBondContact O-N 2.97Å; K455-E459 WeakPolarHBondContact CE-OE1 3.32Å; K455-E459 IonicContact NZ-OE1 3.38Å; K455-E459 PolarHBondContact O-N 2.97Å
456R77.8Confident69.4Low179 Ų179104.8 Ų104.868%0.67556%0.556SS**Hα-helixtrans-57.5-36.1179.5-171.1178.7-176.8-175.43.3112.1A452 L460A452-R456 WeakPolarHBondContact O-CB 3.39Å; A452-R456 PolarHBondContact O-N 3Å; R456-L460 HydrophobicContact CG-CD1 4.39Å; R456-L460 WeakPolarHBondContact O-CB 3.22Å; R456-L460 VanDerWaalsContact O-CG 3.29Å; R456-L460 WeakPolarHBondContact O-CG 3.09Å; R456-L460 PolarHBondContact O-N 3.38Å; R456-L460 VanDerWaalsContact O-N 3.08Å
457R81.3Confident68.4Low138 Ų138106.9 Ų106.952%0.52157%0.567SS.*Hα-helixtrans-69.3-37.2173.9-174.9173.1179.3164.3-0.3112.6I453 L454 K455 V461I453-R457 VanDerWaalsContact O-CB 3.24Å; I453-R457 WeakPolarHBondContact O-CB 3.38Å; I453-R457 PolarHBondContact O-N 3.3Å; L454-R457 PolarHBondContact O-N 3.14Å; K455-R457 PolarHBondContact O-N 3.44Å; R457-V461 HydrophobicContact CG-CG2 4.37Å; R457-V461 VanDerWaalsContact O-CB 3.31Å; R457-V461 WeakPolarHBondContact O-CB 3.24Å; R457-V461 WeakPolarHBondContact O-CG2 3.27Å; R457-V461 PolarHBondContact O-N 3.5Å
458M76.7Confident67.9Low124 Ų124113.5 Ų113.561%0.61159%0.588SS**Hα-helixtrans-68.9-39.7174.2-75.4-172.9-72.300112.2L454 K455 V461 R462L454-M458 WeakPolarHBondContact O-CG 3.49Å; L454-M458 PolarHBondContact O-N 3.48Å; K455-M458 CarbonylContact O-C 3.56Å; K455-M458 WeakPolarHBondContact O-CA 3.44Å; K455-M458 WeakPolarHBondContact O-CB 3.28Å; K455-M458 PolarHBondContact O-N 2.97Å; M458-V461 PolarHBondContact O-N 2.88Å; M458-R462 VanDerWaalsContact O-CB 3.23Å; M458-R462 WeakPolarHBondContact O-CB 3.44Å; M458-R462 PolarHBondContact O-N 3.14Å
459E74.4Confident66.9Low73 Ų73112.8 Ų112.834%0.34159%0.591SS.*Hα-helixtrans-53.4-55169.5-111.6116.9-124.900110.7K455 V461 R462 G463K455-E459 WeakPolarHBondContact CE-OE1 3.32Å; K455-E459 IonicContact NZ-OE1 3.38Å; K455-E459 PolarHBondContact O-N 2.97Å; E459-V461 VanDerWaalsContact C-N 3.31Å; E459-V461 PolarHBondContact O-N 2.96Å; E459-R462 PolarHBondContact O-N 3.23Å; E459-G463 WeakPolarHBondContact O-CA 3.16Å; E459-G463 PolarHBondContact O-N 2.89Å
460L77.3Confident65.5Low138 Ų138114.2 Ų114.272%0.72361%0.606SS**Hα-helixtrans-64.6-28.6-179.2-71.7168.9000114.2R456R456-L460 HydrophobicContact CG-CD1 4.39Å; R456-L460 WeakPolarHBondContact O-CB 3.22Å; R456-L460 VanDerWaalsContact O-CG 3.29Å; R456-L460 WeakPolarHBondContact O-CG 3.09Å; R456-L460 PolarHBondContact O-N 3.38Å; R456-L460 VanDerWaalsContact O-N 3.08Å
461V73Confident64.1Low120 Ų120113.6 Ų113.673%0.72761%0.612SS**Hα-helixtrans-87.3-34.8-179.4166.90000112.4R457 M458 E459R457-V461 HydrophobicContact CG-CG2 4.37Å; R457-V461 VanDerWaalsContact O-CB 3.31Å; R457-V461 WeakPolarHBondContact O-CB 3.24Å; R457-V461 WeakPolarHBondContact O-CG2 3.27Å; R457-V461 PolarHBondContact O-N 3.5Å; M458-V461 PolarHBondContact O-N 2.88Å; E459-V461 VanDerWaalsContact C-N 3.31Å; E459-V461 PolarHBondContact O-N 2.96Å
462R67.4Low62.7Low202 Ų202116.4 Ų116.476%0.76263%0.628SS**Hα-helixtrans-92.5-15.1-177-153.7173.171.788.31.8113M458 E459M458-R462 VanDerWaalsContact O-CB 3.23Å; M458-R462 WeakPolarHBondContact O-CB 3.44Å; M458-R462 PolarHBondContact O-N 3.14Å; E459-R462 PolarHBondContact O-N 3.23Å
463G58.3Low61.6Low38 Ų38124.5 Ų124.539%0.39266%0.664SS.*  trans80.1148.7-175.100000111.8E459 S465E459-G463 WeakPolarHBondContact O-CA 3.16Å; E459-G463 PolarHBondContact O-N 2.89Å; G463-S465 PolarHBondContact O-N 3.48Å
464C46.6Very low60.8Low106 Ų106128.6 Ų128.672%0.71668%0.681SS**  trans-72.676.6172.3-55.60000109.6E466C464-E466 PolarHBondContact O-N 3.23Å
465S47.6Very low59.7Low97 Ų97130.2 Ų130.268%0.67870%0.697SS**  trans-87.843.2164-176.70000109.9G463 S467G463-S465 PolarHBondContact O-N 3.48Å; S465-S467 PolarHBondContact O-N 2.9Å
466E49.1Very low58.9Low158 Ų158131.6 Ų131.674%0.73871%0.71SS**  trans-76.6103.1156.7-76179117.600105.7C464 E468C464-E466 PolarHBondContact O-N 3.23Å; E466-E468 VanDerWaalsContact C-N 3.26Å; E466-E468 PolarHBondContact O-N 2.86Å
467S43.3Very low58.1Low106 Ų106131.2 Ų131.274%0.74172%0.716SS**  trans-6893.6161.549.90000106.9S465 D469S465-S467 PolarHBondContact O-N 2.9Å; S467-D469 PolarHBondContact O-N 3.05Å; S467-D469 VanDerWaalsContact O-N 3.13Å
468E47.4Very low57.5Low174 Ų174136 Ų13681%0.81373%0.734SS**  trans-59.6113.4160-65.7-172.7125.300106.7E466 S470E466-E468 VanDerWaalsContact C-N 3.26Å; E466-E468 PolarHBondContact O-N 2.86Å; E468-S470 PolarHBondContact O-N 2.83Å
469D45.8Very low56.7Low164 Ų164136.5 Ų136.588%0.87774%0.739SS**  trans-64.989.1168.3-101.8-34.4000106.9S467 A471S467-D469 PolarHBondContact O-N 3.05Å; S467-D469 VanDerWaalsContact O-N 3.13Å; D469-A471 VanDerWaalsContact C-N 3.32Å; D469-A471 PolarHBondContact O-N 3.11Å
470S45.1Very low55.6Low107 Ų107144.6 Ų144.675%0.74879%0.785SS**  trans-64.296.9170.9-67.30000107.8E468 S472E468-S470 PolarHBondContact O-N 2.83Å; S470-S472 PolarHBondContact O-N 3.23Å; S470-S472 VanDerWaalsContact O-N 3.11Å
471A49.8Very low54.5Low89 Ų89145 Ų14574%0.73679%0.788SS**  trans-51.1119.2172.100000108.7D469 E473D469-A471 VanDerWaalsContact C-N 3.32Å; D469-A471 PolarHBondContact O-N 3.11Å; A471-E473 VanDerWaalsContact C-N 3.31Å; A471-E473 PolarHBondContact O-N 3.08Å
472S46.6Very low53.6Low116 Ų116146.3 Ų146.381%0.81179%0.791SS**  trans-76.284.518056.40000109.6S470S470-S472 PolarHBondContact O-N 3.23Å; S470-S472 VanDerWaalsContact O-N 3.11Å
473E52.3Low52.8Low185 Ų185143.2 Ų143.286%0.86479%0.793SS**  trans-67.2137.1161.2-64.4-173.9149.500108.6A471A471-E473 VanDerWaalsContact C-N 3.31Å; A471-E473 PolarHBondContact O-N 3.08Å
474E58.2Low52.5Low179 Ų179149.4 Ų149.484%0.83682%0.816SS**  trans-72.2142.8-168.9-65.1179.2117.200111.7D476E474-D476 PolarHBondContact O-N 2.93Å; E474-D476 VanDerWaalsContact O-N 3.08Å
475P56.9Low52.8Low127 Ų127152.1 Ų152.183%0.82582%0.823SS**  trans-75.895.5170.231.3-31.8000109.3E477P475-E477 PolarHBondContact O-N 3.08Å
476D62.9Low53.2Low144 Ų144155.7 Ų155.777%0.7783%0.832SS**  trans-53.1122.6173.9-99-33.2000110.9E474 W478E474-D476 PolarHBondContact O-N 2.93Å; E474-D476 VanDerWaalsContact O-N 3.08Å; D476-W478 PolarHBondContact O-N 2.9Å
477E60.3Low53.5Low170 Ų170155.6 Ų155.679%0.79484%0.839SS**  trans-82.1106-175.5-172164.1-141.200109.7P475P475-E477 PolarHBondContact O-N 3.08Å
478W68.3Low54.3Low238 Ų238159.4 Ų159.490%0.90285%0.846SS**  trans-98.398.4174.6-74.277.9000110.1D476D476-W478 PolarHBondContact O-N 2.9Å
479D59.4Low54.8Low136 Ų136158.2 Ų158.273%0.72785%0.849SS**  trans-70.5150.2172.5-84.3-41.9000113.3
480D52.6Low55.7Low243 Ų243157.6 Ų157.6100%1.29985%0.847SS**  trans52.20169.7-78.7-20.1000119.8

Retrieved 480 of 480 residues in 152.3 ms (Link to these results)