A0A087XCQ2_POEFO Loading...

BRCA2-interacting transcriptional repressor EMSY

AlphaFold DB , UniProt , Accession A0A087XCQ2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,279 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
1M37.6Very low46.1Very low230 Ų230133.3 Ų133.3100%1.13372%0.718SS**  099.40-66.4147.269.500105.2
2I46.1Very low46.2Very low145 Ų145134.1 Ų134.174%0.74473%0.731SS**  61.186.665.9-49.2169.9000110.2L4I2-L4 HydrophobicContact CG2-CD1 4.14Å
3Q46Very low46.7Very low190 Ų190137.6 Ų137.689%0.88874%0.743SS**  trans-138.1146.9149.5-139.676.465.100105.9
4L41.4Very low47.7Very low158 Ų158135.3 Ų135.383%0.82774%0.739SS**  trans-88.3152.5-154.7-93.564.9000115.7I2I2-L4 HydrophobicContact CG2-CD1 4.14Å
5E47.3Very low48.7Very low156 Ų156132 Ų13273%0.72972%0.724SS**  trans-60.4166.3165.1-166.9-154.7140.200113.2
6K39.3Very low49.9Very low165 Ų165130.9 Ų130.972%0.71772%0.722SS**  trans84.3152.6163.1-52.6-168.7177.2-1760117.9
7P50.5Low50.6Low69 Ų69135.4 Ų135.445%0.44873%0.726SS.*  -132.8166.7-56.532.4-15000112.7L9 L727P7-L9 HydrophobicContact CG-CD1 3.93Å; P7-L727 HydrophobicContact CG-CD2 4.41Å
8V51Low51.4Low131 Ų131132.3 Ų132.379%0.79471%0.714SS**  trans-84139.2172.2176.90000110.2
9L46.7Very low52.4Low58 Ų58132.9 Ų132.930%0.30472%0.723SS.*  trans-153.1165-167-109.1149.1000115P7 D726 L727 Q728P7-L9 HydrophobicContact CG-CD1 3.93Å; L9-D726 WeakPolarHBondContact CD2-OD1 3.4Å; L9-L727 HydrophobicContact CD1-CB 4.5Å; L9-L727 HydrophobicContact CD1-CD2 3.54Å; L9-Q728 HydrophobicContact CD2-CB 3.98Å; L9-Q728 HydrophobicContact CD2-CG 3.74Å; L9-Q728 HydrophobicContact CG-CB 4.45Å
10T45.1Very low53.7Low91 Ų91133.3 Ų133.356%0.55872%0.723SS**  trans-115.2149.6-158.254.50000114.4Q728T10-Q728 PolarHBondContact OG1-NE2 2.9Å
11G55.8Low55.2Low73 Ų73133 Ų13375%0.75372%0.72SS**  trans104.477.4132.800000117.7
12T47.8Very low57.5Low143 Ų143129.6 Ų129.688%0.87771%0.707SS**  trans-133.784.5159.437.40000110.3
13M52.9Low59.6Low180 Ų180126.7 Ų126.789%0.88769%0.692SS**  trans-69.4130.6167.8-74.4-171.271.800109.8V15M13-V15 PolarHBondContact O-N 2.97Å
14P60Low62Low105 Ų105119.6 Ų119.668%0.68267%0.67SS**  trans-74.1120.9175.830.2-33.3000110V16P14-V16 HydrophobicContact CB-CG2 4.15Å; P14-V16 HydrophobicContact CG-CG2 4.47Å; P14-V16 PolarHBondContact O-N 3.28Å
15V62.3Low64.5Low86 Ų86121.5 Ų121.552%0.52167%0.667SS.*  trans-74.581.2171.1-177.40000108.8M13 W17 F1224M13-V15 PolarHBondContact O-N 2.97Å; V15-W17 HydrophobicContact CG1-CZ2 4.42Å; V15-W17 PolarHBondContact O-N 2.98Å; V15-F1224 HydrophobicContact CB-CE1 4.15Å; V15-F1224 HydrophobicContact CB-CZ 4.16Å
16V68.5Low66.8Low114 Ų114118.4 Ų118.469%0.69166%0.655SS**  trans-86101.2169.8-176.10000107.7P14P14-V16 HydrophobicContact CB-CG2 4.15Å; P14-V16 HydrophobicContact CG-CG2 4.47Å; P14-V16 PolarHBondContact O-N 3.28Å
17W61.9Low69.6Low208 Ų208114.2 Ų114.279%0.78864%0.638SS**  trans-59.9133.5169.8-66.1100.6000109.8V15 T19V15-W17 HydrophobicContact CG1-CZ2 4.42Å; V15-W17 PolarHBondContact O-N 2.98Å; W17-T19 PolarHBondContact O-N 3.07Å; W17-T19 VanDerWaalsContact O-N 3.13Å
18P65.7Low71.8Confident79 Ų79113.7 Ų113.751%0.51364%0.635SS.*  trans-58.3118.1178.1-26.535.3000111.9I20P18-I20 VanDerWaalsContact CB-O 3.3Å; P18-I20 WeakPolarHBondContact CB-O 3.41Å; P18-I20 PolarHBondContact O-N 2.91Å; P18-I20 VanDerWaalsContact O-N 3.1Å
19T69.4Low74Confident144 Ų144112.8 Ų112.888%0.88362%0.621SS**SBendtrans-60.2-20.7177.5-45.10000112.6W17W17-T19 PolarHBondContact O-N 3.07Å; W17-T19 VanDerWaalsContact O-N 3.13Å
20I77.9Confident76.4Confident141 Ų141117.1 Ų117.172%0.72363%0.633SS**SBendtrans-132.8130.8173.6-57.1176.7000106P18P18-I20 VanDerWaalsContact CB-O 3.3Å; P18-I20 WeakPolarHBondContact CB-O 3.41Å; P18-I20 PolarHBondContact O-N 2.91Å; P18-I20 VanDerWaalsContact O-N 3.1Å
21L85.2Confident78.9Confident127 Ų127116.2 Ų116.267%0.66562%0.624SS**  trans-71.5144.4173-64.2171.7000110.1L23L21-L23 HydrophobicContact CB-CD1 4.34Å; L21-L23 HydrophobicContact CB-CG 4.21Å; L21-L23 PolarHBondContact O-N 3.34Å
22D85.5Confident80.9Confident158 Ų158117.4 Ų117.485%0.84561%0.613SS**  trans-70.866.6-178.8-65.5-59.9000113.2
23L91.7Very high83.3Confident84 Ų84114.6 Ų114.644%0.4459%0.586SS.*  trans-100.5111.9178.6-66.1173000110L21 C28 I31L21-L23 HydrophobicContact CB-CD1 4.34Å; L21-L23 HydrophobicContact CB-CG 4.21Å; L21-L23 PolarHBondContact O-N 3.34Å; L23-C28 WeakPolarHBondContact CB-SG 3.37Å; L23-I31 HydrophobicContact CD1-CD1 4.08Å; L23-I31 HydrophobicContact CD2-CD1 3.98Å
24G95Very high85.4Confident42 Ų42111.8 Ų111.843%0.43357%0.569SS.*  trans-55.1150.9173.300000112.1D26 E27 C28G24-D26 PolarHBondContact O-N 2.85Å; G24-E27 WeakPolarHBondContact O-CA 3.42Å; G24-E27 WeakPolarHBondContact O-CB 3.21Å; G24-E27 PolarHBondContact O-N 3.14Å; G24-C28 PolarHBondContact O-N 3.39Å
25R95.2Very high87.3Confident198 Ų198111.4 Ų111.475%0.74756%0.561SS**Hα-helixtrans-52.1-36.6-175.4-170-173.1-66.3126.4-2.4113C28 K29R25-C28 WeakPolarHBondContact O-CB 3.28Å; R25-K29 WeakPolarHBondContact O-CG 3.15Å; R25-K29 PolarHBondContact O-N 3.11Å; R25-K29 VanDerWaalsContact O-N 3.1Å
26D96.3Very high89Confident91 Ų91109.5 Ų109.549%0.48755%0.546SS..Hα-helixtrans-85.1-23.6-178.5-64.2-78.3000113.3G24 K29 R30G24-D26 PolarHBondContact O-N 2.85Å; D26-K29 PolarHBondContact O-N 2.9Å; D26-K29 WeakPolarHBondContact OD1-CD 3.35Å; D26-K29 WeakPolarHBondContact OD1-CE 3.46Å; D26-K29 IonicContact OD1-NZ 3.31Å; D26-K29 PolarHBondContact OD1-NZ 2.81Å; D26-K29 IonicContact OD2-NZ 2.7Å; D26-R30 PolarHBondContact O-N 3.12Å
27E96.4Very high90.4Very high77 Ų77105.7 Ų105.736%0.3652%0.521SS..Hα-helixtrans-64.7-48.3163.9-60-55.1114.700110G24 K29 R30 I31G24-E27 WeakPolarHBondContact O-CA 3.42Å; G24-E27 WeakPolarHBondContact O-CB 3.21Å; G24-E27 PolarHBondContact O-N 3.14Å; E27-K29 VanDerWaalsContact C-N 3.3Å; E27-K29 PolarHBondContact O-N 2.6Å; E27-R30 PolarHBondContact O-N 3.46Å; E27-R30 IonicContact OE1-CZ 2.95Å; E27-R30 VanDerWaalsContact OE1-CZ 3.22Å; E27-R30 IonicContact OE1-NH1 2.67Å; E27-R30 PolarHBondContact OE1-NH1 3.44Å; E27-R30 IonicContact OE1-NH2 3.65Å; E27-R30 PolarHBondContact OE1-NH2 3.11Å; E27-R30 IonicContact OE2-CZ 2.86Å; E27-R30 IonicContact OE2-NH1 3.83Å; E27-R30 PolarHBondContact OE2-NH1 2.73Å; E27-R30 IonicContact OE2-NH2 3.58Å; E27-I31 WeakPolarHBondContact O-CB 3.44Å; E27-I31 VanDerWaalsContact O-CG1 3.32Å; E27-I31 WeakPolarHBondContact O-CG1 3.2Å; E27-I31 PolarHBondContact O-N 3.22Å
28C96.9Very high92.1Very high58 Ų58100.7 Ų100.739%0.39251%0.507SS..Hα-helixtrans-55.7-41.8173.6-72.40000112.3L23 G24 R25 L32L23-C28 WeakPolarHBondContact CB-SG 3.37Å; G24-C28 PolarHBondContact O-N 3.39Å; R25-C28 WeakPolarHBondContact O-CB 3.28Å; C28-L32 VanDerWaalsContact O-CB 3.23Å; C28-L32 WeakPolarHBondContact O-CB 3.34Å; C28-L32 PolarHBondContact O-N 2.9Å
29K97.4Very high93.7Very high112 Ų11299.4 Ų99.449%0.48750%0.503SS..Hα-helixtrans-63.8-41.8172.9-70172.7-161.1163.90112.3R25 D26 E27 R33R25-K29 WeakPolarHBondContact O-CG 3.15Å; R25-K29 PolarHBondContact O-N 3.11Å; R25-K29 VanDerWaalsContact O-N 3.1Å; D26-K29 PolarHBondContact O-N 2.9Å; D26-K29 WeakPolarHBondContact OD1-CD 3.35Å; D26-K29 WeakPolarHBondContact OD1-CE 3.46Å; D26-K29 IonicContact OD1-NZ 3.31Å; D26-K29 PolarHBondContact OD1-NZ 2.81Å; D26-K29 IonicContact OD2-NZ 2.7Å; E27-K29 VanDerWaalsContact C-N 3.3Å; E27-K29 PolarHBondContact O-N 2.6Å; K29-R33 VanDerWaalsContact O-CB 3.3Å; K29-R33 WeakPolarHBondContact O-CB 3.46Å; K29-R33 PolarHBondContact O-N 2.88Å
30R97.3Very high95.1Very high149 Ų14992.7 Ų92.756%0.56246%0.461SS*.Hα-helixtrans-68.1-40.1-179.9-158.3-173.3-52.411312111.5D26 E27 R33 K34D26-R30 PolarHBondContact O-N 3.12Å; E27-R30 PolarHBondContact O-N 3.46Å; E27-R30 IonicContact OE1-CZ 2.95Å; E27-R30 VanDerWaalsContact OE1-CZ 3.22Å; E27-R30 IonicContact OE1-NH1 2.67Å; E27-R30 PolarHBondContact OE1-NH1 3.44Å; E27-R30 IonicContact OE1-NH2 3.65Å; E27-R30 PolarHBondContact OE1-NH2 3.11Å; E27-R30 IonicContact OE2-CZ 2.86Å; E27-R30 IonicContact OE2-NH1 3.83Å; E27-R30 PolarHBondContact OE2-NH1 2.73Å; E27-R30 IonicContact OE2-NH2 3.58Å; R30-R33 PolarHBondContact O-N 3.37Å; R30-K34 WeakPolarHBondContact O-CB 3.36Å; R30-K34 PolarHBondContact O-N 2.92Å
31I97.8Very high96.1Very high71 Ų7186.8 Ų86.836%0.36443%0.433SS..Hα-helixtrans-66.5-48.8175.2-66.2164.6000110.3L23 E27 R33 K34 L35L23-I31 HydrophobicContact CD1-CD1 4.08Å; L23-I31 HydrophobicContact CD2-CD1 3.98Å; E27-I31 WeakPolarHBondContact O-CB 3.44Å; E27-I31 VanDerWaalsContact O-CG1 3.32Å; E27-I31 WeakPolarHBondContact O-CG1 3.2Å; E27-I31 PolarHBondContact O-N 3.22Å; I31-R33 VanDerWaalsContact C-N 3.3Å; I31-R33 PolarHBondContact O-N 3.27Å; I31-K34 WeakPolarHBondContact O-CB 3.39Å; I31-K34 PolarHBondContact O-N 2.92Å; I31-K34 VanDerWaalsContact O-N 3.13Å; I31-L35 HydrophobicContact CG2-CD1 4.07Å; I31-L35 WeakPolarHBondContact O-CG 3.41Å; I31-L35 PolarHBondContact O-N 3.38Å
32L97.7Very high96.7Very high99 Ų9982.7 Ų82.752%0.51842%0.422SS..Hα-helixtrans-55.3-47.1173.6175.160.6000110.9C28 K34 L35 E36C28-L32 VanDerWaalsContact O-CB 3.23Å; C28-L32 WeakPolarHBondContact O-CB 3.34Å; C28-L32 PolarHBondContact O-N 2.9Å; L32-K34 VanDerWaalsContact C-N 3.33Å; L32-K34 PolarHBondContact O-N 2.86Å; L32-L35 PolarHBondContact O-N 3.38Å; L32-L35 VanDerWaalsContact O-N 3.15Å; L32-E36 HydrophobicContact CD1-CG 4.32Å; L32-E36 WeakPolarHBondContact O-CG 2.8Å; L32-E36 PolarHBondContact O-N 2.97Å
33R98Very high97.3Very high83 Ų8377.5 Ų77.531%0.31340%0.396SS..Hα-helixtrans-64.2-37.4178.6-171.151.7171.2170-3.2112.1K29 R30 I31 E36 L37 L68 G69K29-R33 VanDerWaalsContact O-CB 3.3Å; K29-R33 WeakPolarHBondContact O-CB 3.46Å; K29-R33 PolarHBondContact O-N 2.88Å; R30-R33 PolarHBondContact O-N 3.37Å; I31-R33 VanDerWaalsContact C-N 3.3Å; I31-R33 PolarHBondContact O-N 3.27Å; R33-E36 WeakPolarHBondContact CD-OE2 3.46Å; R33-E36 IonicContact CZ-OE2 2.72Å; R33-E36 IonicContact NE-OE2 3.22Å; R33-E36 IonicContact NH1-OE2 2.94Å; R33-E36 PolarHBondContact NH1-OE2 3.47Å; R33-L37 HydrophobicContact CG-CD1 4.27Å; R33-L37 WeakPolarHBondContact O-CB 3.19Å; R33-L37 WeakPolarHBondContact O-CG 3.18Å; R33-L37 PolarHBondContact O-N 2.92Å; R33-L68 PolarHBondContact NH1-O 2.87Å; R33-G69 PolarHBondContact NH1-O 3.08Å; R33-G69 PolarHBondContact NH2-O 3.48Å
34K98.2Very high97.6Very high121 Ų12173.5 Ų73.553%0.52638%0.375SS..Hα-helixtrans-59.3-48.8171.9-179.4-175.7170.4-174.70110.7R30 I31 L32 L37 E38R30-K34 WeakPolarHBondContact O-CB 3.36Å; R30-K34 PolarHBondContact O-N 2.92Å; I31-K34 WeakPolarHBondContact O-CB 3.39Å; I31-K34 PolarHBondContact O-N 2.92Å; I31-K34 VanDerWaalsContact O-N 3.13Å; L32-K34 VanDerWaalsContact C-N 3.33Å; L32-K34 PolarHBondContact O-N 2.86Å; K34-L37 WeakPolarHBondContact O-CB 3.21Å; K34-L37 PolarHBondContact O-N 2.91Å; K34-E38 WeakPolarHBondContact CE-OE1 3.27Å; K34-E38 VanDerWaalsContact CE-OE2 3.24Å; K34-E38 WeakPolarHBondContact CE-OE2 3.15Å; K34-E38 HydrophobicContact CG-CG 4.35Å; K34-E38 IonicContact NZ-OE1 3.87Å; K34-E38 WeakPolarHBondContact O-CG 2.92Å; K34-E38 PolarHBondContact O-N 3.28Å
35L98.4Very high97.8Very high98 Ų9872.7 Ų72.751%0.51336%0.362SS..Hα-helixtrans-63.6-41.8-179.5-67.4170.2000113I31 L32 L37 E38 A39I31-L35 HydrophobicContact CG2-CD1 4.07Å; I31-L35 WeakPolarHBondContact O-CG 3.41Å; I31-L35 PolarHBondContact O-N 3.38Å; L32-L35 PolarHBondContact O-N 3.38Å; L32-L35 VanDerWaalsContact O-N 3.15Å; L35-L37 VanDerWaalsContact C-N 3.28Å; L35-L37 PolarHBondContact O-N 2.99Å; L35-E38 PolarHBondContact O-N 2.76Å; L35-A39 WeakPolarHBondContact O-CB 3.25Å; L35-A39 PolarHBondContact O-N 2.77Å
36E98.2Very high97.9Very high45 Ų4565.7 Ų65.721%0.2135%0.347CS..Hα-helixtrans-56.5-43172.8-72.6171.5162.600111.9L32 R33 Y40 L68L32-E36 HydrophobicContact CD1-CG 4.32Å; L32-E36 WeakPolarHBondContact O-CG 2.8Å; L32-E36 PolarHBondContact O-N 2.97Å; R33-E36 WeakPolarHBondContact CD-OE2 3.46Å; R33-E36 IonicContact CZ-OE2 2.72Å; R33-E36 IonicContact NE-OE2 3.22Å; R33-E36 IonicContact NH1-OE2 2.94Å; R33-E36 PolarHBondContact NH1-OE2 3.47Å; E36-Y40 WeakPolarHBondContact O-CB 3.3Å; E36-Y40 PolarHBondContact O-N 2.97Å; E36-Y40 VanDerWaalsContact O-N 3.11Å; E36-L68 HydrophobicContact CB-CB 4.31Å; E36-L68 HydrophobicContact CG-CD2 4.31Å
37L98.2Very high98Very high34 Ų3462.1 Ų62.118%0.17833%0.328CS..Hα-helixtrans-71.9-43-178.7-67.1178.6000112.2R33 K34 L35 A41 I70R33-L37 HydrophobicContact CG-CD1 4.27Å; R33-L37 WeakPolarHBondContact O-CB 3.19Å; R33-L37 WeakPolarHBondContact O-CG 3.18Å; R33-L37 PolarHBondContact O-N 2.92Å; K34-L37 WeakPolarHBondContact O-CB 3.21Å; K34-L37 PolarHBondContact O-N 2.91Å; L35-L37 VanDerWaalsContact C-N 3.28Å; L35-L37 PolarHBondContact O-N 2.99Å; L37-A41 VanDerWaalsContact O-CB 3.3Å; L37-A41 WeakPolarHBondContact O-CB 3.3Å; L37-A41 PolarHBondContact O-N 3.1Å; L37-I70 HydrophobicContact CD2-CD1 3.7Å
38E98.3Very high98.1Very high104 Ų10458.5 Ų58.549%0.48631%0.311SS..Hα-helixtrans-69.9-40178.7-72.1176.1158.200111.8K34 L35 A41 G42K34-E38 WeakPolarHBondContact CE-OE1 3.27Å; K34-E38 VanDerWaalsContact CE-OE2 3.24Å; K34-E38 WeakPolarHBondContact CE-OE2 3.15Å; K34-E38 HydrophobicContact CG-CG 4.35Å; K34-E38 IonicContact NZ-OE1 3.87Å; K34-E38 WeakPolarHBondContact O-CG 2.92Å; K34-E38 PolarHBondContact O-N 3.28Å; L35-E38 PolarHBondContact O-N 2.76Å; E38-A41 PolarHBondContact O-N 3.13Å; E38-G42 PolarHBondContact O-N 2.82Å
39A98.5Very high98.1Very high52 Ų5256.4 Ų56.443%0.4330%0.298SS..Hα-helixtrans-62.9-45.817400000111.7L35 A41 G42 V43 L68L35-A39 WeakPolarHBondContact O-CB 3.25Å; L35-A39 PolarHBondContact O-N 2.77Å; A39-A41 VanDerWaalsContact C-N 3.32Å; A39-A41 PolarHBondContact O-N 3.46Å; A39-G42 PolarHBondContact O-N 3.23Å; A39-V43 WeakPolarHBondContact O-CG2 3.37Å; A39-V43 PolarHBondContact O-N 2.67Å; A39-V43 VanDerWaalsContact O-N 3.07Å; A39-L68 HydrophobicContact CB-CD1 4.34Å
40Y98.7Very high98.1Very high3 Ų356 Ų561%0.01230%0.298CS..Hα-helixtrans-61.9-41.5176.4-168.2-98000111.8E36 V43 I44 L61 L64 T65 L68 I70 H75 E78E36-Y40 WeakPolarHBondContact O-CB 3.3Å; E36-Y40 PolarHBondContact O-N 2.97Å; E36-Y40 VanDerWaalsContact O-N 3.11Å; Y40-V43 PolarHBondContact O-N 2.95Å; Y40-I44 HydrophobicContact CD1-CG1 4.11Å; Y40-I44 HydrophobicContact CE1-CD1 4.08Å; Y40-I44 HydrophobicContact CE1-CG1 3.61Å; Y40-I44 PolarHBondContact O-N 2.97Å; Y40-L61 HydrophobicContact CE2-CD2 4.12Å; Y40-L64 HydrophobicContact CD2-CB 4.38Å; Y40-L64 HydrophobicContact CD2-CD2 3.65Å; Y40-L64 HydrophobicContact CD2-CG 3.8Å; Y40-L64 HydrophobicContact CE2-CB 4.13Å; Y40-L64 HydrophobicContact CE2-CD2 3.94Å; Y40-L64 HydrophobicContact CE2-CG 4.06Å; Y40-T65 HydrophobicContact CE1-CG2 4.3Å; Y40-T65 HydrophobicContact CE2-CG2 3.65Å; Y40-T65 VanDerWaalsContact CZ-CG2 3.47Å; Y40-T65 WeakPolarHBondContact OH-CG2 3.21Å; Y40-L68 HydrophobicContact CD2-CD1 4.4Å; Y40-I70 HydrophobicContact CD1-CG1 4.21Å; Y40-I70 HydrophobicContact CD1-CG2 4.03Å; Y40-I70 HydrophobicContact CD2-CG1 3.82Å; Y40-I70 HydrophobicContact CE1-CG2 4.07Å; Y40-I70 HydrophobicContact CE2-CG1 4.38Å; Y40-I70 HydrophobicContact CG-CD1 4.1Å; Y40-I70 HydrophobicContact CG-CG1 3.74Å; Y40-I70 HydrophobicContact CG-CG2 4.42Å; Y40-H75 HydrophobicContact CE1-CB 4.37Å; Y40-H75 PolarHBondContact OH-ND1 2.73Å; Y40-E78 HydrophobicContact CD1-CG 3.94Å; Y40-E78 HydrophobicContact CE1-CB 4.37Å; Y40-E78 HydrophobicContact CE1-CG 4.01Å
41A98.4Very high98.1Very high16 Ų1648.9 Ų48.913%0.13227%0.271CS..Hα-helixtrans-65.1-41.7177.900000113L37 E38 A39 V43 I44 S45 E78L37-A41 VanDerWaalsContact O-CB 3.3Å; L37-A41 WeakPolarHBondContact O-CB 3.3Å; L37-A41 PolarHBondContact O-N 3.1Å; E38-A41 PolarHBondContact O-N 3.13Å; A39-A41 VanDerWaalsContact C-N 3.32Å; A39-A41 PolarHBondContact O-N 3.46Å; A41-V43 PolarHBondContact O-N 2.67Å; A41-I44 PolarHBondContact O-N 3.45Å; A41-S45 WeakPolarHBondContact O-CB 3.38Å; A41-S45 PolarHBondContact O-N 2.66Å; A41-S45 PolarHBondContact O-OG 2.95Å; A41-E78 WeakPolarHBondContact CA-OE1 3.47Å; A41-E78 WeakPolarHBondContact CB-OE1 3.37Å
42G98.4Very high98Very high41 Ų4147.4 Ų47.442%0.42326%0.264SS..Hα-helixtrans-59.5-43.6173.500000112.6E38 A39 S45 A46E38-G42 PolarHBondContact O-N 2.82Å; A39-G42 PolarHBondContact O-N 3.23Å; G42-S45 PolarHBondContact O-N 2.94Å; G42-A46 WeakPolarHBondContact O-CB 3.26Å; G42-A46 PolarHBondContact O-N 3.03Å
43V98.5Very high97.9Very high50 Ų5043.2 Ų43.230%0.30324%0.242SC..Hα-helixtrans-64.7-45.8177174.10000111.6A39 Y40 A41 S45 A46 L47 L61 L64A39-V43 WeakPolarHBondContact O-CG2 3.37Å; A39-V43 PolarHBondContact O-N 2.67Å; A39-V43 VanDerWaalsContact O-N 3.07Å; Y40-V43 PolarHBondContact O-N 2.95Å; A41-V43 PolarHBondContact O-N 2.67Å; V43-S45 PolarHBondContact O-N 3.32Å; V43-A46 PolarHBondContact O-N 3.1Å; V43-L47 HydrophobicContact CG1-CD1 3.84Å; V43-L47 HydrophobicContact CG1-CG 4.12Å; V43-L47 WeakPolarHBondContact O-CB 3.38Å; V43-L47 WeakPolarHBondContact O-CG 3.39Å; V43-L47 PolarHBondContact O-N 2.92Å; V43-L61 HydrophobicContact CG1-CD2 4.06Å; V43-L64 HydrophobicContact CB-CD2 3.88Å; V43-L64 HydrophobicContact CG1-CD2 3.77Å; V43-L64 HydrophobicContact CG2-CD2 3.92Å
44I98.4Very high97.9Very high0 Ų042.6 Ų42.60%025%0.247CC..Hα-helixtrans-59.7-47.1176.5-71.5-81.9000110.8Y40 A41 A46 L47 R48 L61 E78 V79 A82 W104Y40-I44 HydrophobicContact CD1-CG1 4.11Å; Y40-I44 HydrophobicContact CE1-CD1 4.08Å; Y40-I44 HydrophobicContact CE1-CG1 3.61Å; Y40-I44 PolarHBondContact O-N 2.97Å; A41-I44 PolarHBondContact O-N 3.45Å; I44-A46 PolarHBondContact O-N 2.91Å; I44-L47 PolarHBondContact O-N 2.56Å; I44-R48 VanDerWaalsContact O-CB 3.28Å; I44-R48 WeakPolarHBondContact O-CB 3.32Å; I44-R48 PolarHBondContact O-N 2.88Å; I44-L61 HydrophobicContact CD1-CD1 3.55Å; I44-L61 HydrophobicContact CD1-CD2 3.48Å; I44-L61 VanDerWaalsContact CD1-CD2 3.48Å; I44-L61 HydrophobicContact CD1-CG 4.12Å; I44-L61 HydrophobicContact CG1-CD2 3.96Å; I44-E78 HydrophobicContact CB-CG 3.86Å; I44-E78 HydrophobicContact CG1-CG 3.72Å; I44-E78 HydrophobicContact CG2-CG 3.97Å; I44-V79 HydrophobicContact CD1-CG2 3.99Å; I44-A82 HydrophobicContact CG2-CB 3.67Å; I44-W104 HydrophobicContact CD1-CZ3 4.11Å
45S98.4Very high97.8Very high24 Ų2443.5 Ų43.517%0.16825%0.251CS..Hα-helixtrans-60.5-42.1177.7-79.20000112.6A41 G42 V43 A49 R81 L88A41-S45 WeakPolarHBondContact O-CB 3.38Å; A41-S45 PolarHBondContact O-N 2.66Å; A41-S45 PolarHBondContact O-OG 2.95Å; G42-S45 PolarHBondContact O-N 2.94Å; V43-S45 PolarHBondContact O-N 3.32Å; S45-A49 WeakPolarHBondContact O-CB 3.38Å; S45-A49 PolarHBondContact O-N 2.83Å; S45-R81 PolarHBondContact OG-NH2 3.22Å; S45-L88 WeakPolarHBondContact OG-CD1 3.27Å
46A98.4Very high97.8Very high52 Ų5244.3 Ų44.343%0.4326%0.256SS..Hα-helixtrans-66-47.8176.600000112.6G42 V43 I44 R48 A49 Q50G42-A46 WeakPolarHBondContact O-CB 3.26Å; G42-A46 PolarHBondContact O-N 3.03Å; V43-A46 PolarHBondContact O-N 3.1Å; I44-A46 PolarHBondContact O-N 2.91Å; A46-R48 VanDerWaalsContact C-N 3.29Å; A46-R48 PolarHBondContact O-N 3.44Å; A46-A49 PolarHBondContact O-N 2.92Å; A46-Q50 WeakPolarHBondContact O-CG 3.45Å; A46-Q50 PolarHBondContact O-N 2.84Å; A46-Q50 VanDerWaalsContact O-N 3.13Å
47L97.9Very high97.7Very high16 Ų1643.4 Ų43.48%0.08425%0.251CS..Hα-helixtrans-64.4-33.3179.3-69.5-177000112.4V43 I44 K57 L61 W104V43-L47 HydrophobicContact CG1-CD1 3.84Å; V43-L47 HydrophobicContact CG1-CG 4.12Å; V43-L47 WeakPolarHBondContact O-CB 3.38Å; V43-L47 WeakPolarHBondContact O-CG 3.39Å; V43-L47 PolarHBondContact O-N 2.92Å; I44-L47 PolarHBondContact O-N 2.56Å; L47-K57 HydrophobicContact CB-CD 4.36Å; L47-K57 HydrophobicContact CD1-CB 4.44Å; L47-K57 HydrophobicContact CD2-CD 4.35Å; L47-K57 HydrophobicContact CD2-CG 4.18Å; L47-K57 PolarHBondContact O-NZ 2.94Å; L47-L61 HydrophobicContact CD1-CD1 3.97Å; L47-L61 HydrophobicContact CD1-CD2 3.89Å; L47-L61 HydrophobicContact CD1-CG 3.81Å; L47-W104 VanDerWaalsContact C-CZ2 3.49Å; L47-W104 HydrophobicContact CB-CH2 3.82Å; L47-W104 HydrophobicContact CB-CZ2 3.97Å
48R98Very high97.7Very high1 Ų146.2 Ų46.20%0.00426%0.262CS..Hα-helixtrans-71.8-37174.9-173.3-86.9172.6-73.6-3.1112.3I44 A46 Q50 G51 A82 T89 A92 N100 W104I44-R48 VanDerWaalsContact O-CB 3.28Å; I44-R48 WeakPolarHBondContact O-CB 3.32Å; I44-R48 PolarHBondContact O-N 2.88Å; A46-R48 VanDerWaalsContact C-N 3.29Å; A46-R48 PolarHBondContact O-N 3.44Å; R48-Q50 VanDerWaalsContact C-N 3.31Å; R48-G51 PolarHBondContact O-N 3.02Å; R48-A82 HydrophobicContact CB-CB 3.97Å; R48-A82 WeakPolarHBondContact CD-O 3.36Å; R48-A82 HydrophobicContact CG-CB 3.97Å; R48-A82 PolarHBondContact NE-O 3.47Å; R48-T89 PolarHBondContact NH2-OG1 3.31Å; R48-A92 VanDerWaalsContact NH1-CB 3.26Å; R48-A92 VanDerWaalsContact O-CB 3.32Å; R48-A92 WeakPolarHBondContact O-CB 3.27Å; R48-N100 PolarHBondContact NH1-OD1 2.87Å; R48-N100 PolarHBondContact NH2-OD1 2.87Å; R48-W104 HydrophobicContact CB-CD2 4.49Å; R48-W104 HydrophobicContact CB-CH2 4.38Å; R48-W104 HydrophobicContact CB-CZ2 3.97Å; R48-W104 HydrophobicContact CG-CD2 4.43Å
49A98Very high97.7Very high14 Ų1445 Ų4512%0.11626%0.259CS..Hα-helixtrans-69.2-26.8176.100000113.2S45 A46 G51 L88 I91 A92S45-A49 WeakPolarHBondContact O-CB 3.38Å; S45-A49 PolarHBondContact O-N 2.83Å; A46-A49 PolarHBondContact O-N 2.92Å; A49-G51 VanDerWaalsContact C-N 3.34Å; A49-L88 HydrophobicContact CB-CD2 3.95Å; A49-I91 HydrophobicContact CB-CB 4.37Å; A49-I91 HydrophobicContact CB-CG2 3.99Å; A49-A92 WeakPolarHBondContact O-CA 3.26Å; A49-A92 PolarHBondContact O-N 3.36Å
50Q97.3Very high97.6Very high102 Ų10246.7 Ų46.748%0.47726%0.261SS..Hα-helixtrans-65.8-34.8173.5-71.1168.2-2.400112.9A46 R48 K57 S96A46-Q50 WeakPolarHBondContact O-CG 3.45Å; A46-Q50 PolarHBondContact O-N 2.84Å; A46-Q50 VanDerWaalsContact O-N 3.13Å; R48-Q50 VanDerWaalsContact C-N 3.31Å; Q50-K57 VanDerWaalsContact OE1-CE 3.29Å; Q50-S96 PolarHBondContact O-OG 3.22Å
51G95.5Very high97.6Very high0 Ų046.7 Ų46.70%026%0.261CS..SBendtrans146.8-161.6-170.300000112.7R48 A49 K57 S96 W104R48-G51 PolarHBondContact O-N 3.02Å; A49-G51 VanDerWaalsContact C-N 3.34Å; G51-K57 PolarHBondContact O-NZ 2.87Å; G51-S96 WeakPolarHBondContact CA-OG 3.49Å; G51-W104 PolarHBondContact O-NE1 2.9Å
52D95.9Very high97.6Very high40 Ų4047.8 Ų47.821%0.21427%0.274CS..SBendtrans-65.7166.2-175.6-147.6-3.3000113.8T54 K57 N100 E103 W104D52-T54 PolarHBondContact O-N 3.18Å; D52-K57 PolarHBondContact O-NZ 3.41Å; D52-N100 WeakPolarHBondContact CA-O 3.4Å; D52-E103 PolarHBondContact OD1-N 3.04Å; D52-E103 PolarHBondContact OD2-N 3.44Å; D52-W104 VanDerWaalsContact C-NE1 3.35Å; D52-W104 VanDerWaalsContact OD1-CD1 3.31Å; D52-W104 PolarHBondContact OD1-N 3.47Å
53L97.2Very high97.5Very high11 Ų1152 Ų526%0.05828%0.282CS..  trans-80.294.3179.4-179.262.5000110.5K57 K58 L61 E103 W104 E107L53-K57 HydrophobicContact CD1-CB 3.84Å; L53-K58 HydrophobicContact CD1-CB 3.99Å; L53-K58 HydrophobicContact CD2-CB 4.45Å; L53-K58 HydrophobicContact CD2-CD 4.49Å; L53-K58 HydrophobicContact CG-CB 4.19Å; L53-L61 HydrophobicContact CD1-CD1 4.05Å; L53-E103 HydrophobicContact CB-CB 3.82Å; L53-E103 WeakPolarHBondContact O-CB 3.37Å; L53-W104 HydrophobicContact CB-CD2 3.7Å; L53-W104 HydrophobicContact CB-CE3 4.13Å; L53-W104 HydrophobicContact CB-CG 3.93Å; L53-W104 HydrophobicContact CB-CZ2 4.19Å; L53-W104 HydrophobicContact CD1-CE3 4.24Å; L53-W104 HydrophobicContact CD1-CH2 3.83Å; L53-W104 HydrophobicContact CD1-CZ2 4.08Å; L53-W104 HydrophobicContact CD1-CZ3 3.91Å; L53-W104 HydrophobicContact CD2-CD2 4.48Å; L53-W104 HydrophobicContact CD2-CE3 4.13Å; L53-W104 HydrophobicContact CD2-CZ3 4.46Å; L53-W104 HydrophobicContact CG-CD2 4.46Å; L53-W104 HydrophobicContact CG-CE3 4.41Å; L53-E107 HydrophobicContact CD2-CB 3.56Å; L53-E107 HydrophobicContact CD2-CG 3.76Å
54T96.4Very high97.5Very high70 Ų7051.3 Ų51.343%0.42928%0.277SS..  trans-70.3160.3169.868.10000111.2D52 D56 K57 K58D52-T54 PolarHBondContact O-N 3.18Å; T54-D56 PolarHBondContact O-N 3.13Å; T54-K57 PolarHBondContact O-N 3.2Å; T54-K57 WeakPolarHBondContact OG1-CG 3.45Å; T54-K57 PolarHBondContact OG1-N 3.15Å; T54-K58 PolarHBondContact O-N 3.37Å
55K96.9Very high97.5Very high140 Ų14052.4 Ų52.461%0.60928%0.284SS*.Hα-helixtrans-53.6-43.2174.2-178.3-174.6165.9-64.10111.7K58 D59K55-K58 CarbonylContact O-C 3.45Å; K55-K58 WeakPolarHBondContact O-CA 3.4Å; K55-K58 WeakPolarHBondContact O-CB 3.5Å; K55-K58 PolarHBondContact O-N 3.34Å; K55-K58 VanDerWaalsContact O-N 3.09Å; K55-D59 IonicContact NZ-OD2 2.61Å; K55-D59 PolarHBondContact NZ-OD2 3.21Å; K55-D59 PolarHBondContact O-N 2.99Å
56D97.6Very high97.4Very high115 Ų11560 Ų6062%0.61531%0.314SS*.Hα-helixtrans-70.5-36.6-175.5-41.9-50.7000111.7T54 K58 L60T54-D56 PolarHBondContact O-N 3.13Å; D56-K58 VanDerWaalsContact C-N 3.31Å; D56-K58 PolarHBondContact O-N 3.09Å; D56-L60 WeakPolarHBondContact O-CB 3.33Å; D56-L60 PolarHBondContact O-N 2.89Å
57K97.4Very high97.4Very high26 Ų2663.5 Ų63.511%0.11332%0.324CS..Hα-helixtrans-60.4-41.3168.1-73.9-178.5-178.1-179.70111.4L47 Q50 G51 D52 L53 T54 L61L47-K57 HydrophobicContact CB-CD 4.36Å; L47-K57 HydrophobicContact CD1-CB 4.44Å; L47-K57 HydrophobicContact CD2-CD 4.35Å; L47-K57 HydrophobicContact CD2-CG 4.18Å; L47-K57 PolarHBondContact O-NZ 2.94Å; Q50-K57 VanDerWaalsContact OE1-CE 3.29Å; G51-K57 PolarHBondContact O-NZ 2.87Å; D52-K57 PolarHBondContact O-NZ 3.41Å; L53-K57 HydrophobicContact CD1-CB 3.84Å; T54-K57 PolarHBondContact O-N 3.2Å; T54-K57 WeakPolarHBondContact OG1-CG 3.45Å; T54-K57 PolarHBondContact OG1-N 3.15Å; K57-L61 WeakPolarHBondContact O-CB 3.49Å; K57-L61 VanDerWaalsContact O-CG 3.24Å; K57-L61 WeakPolarHBondContact O-CG 3.25Å; K57-L61 PolarHBondContact O-N 3.25Å
58K97Very high97.4Very high93 Ų9364.2 Ų64.240%0.40433%0.328SS..Hα-helixtrans-68.3-41.6179.7178.3168.8174164.90112.6L53 T54 K55 D56 L61 G62 E107L53-K58 HydrophobicContact CD1-CB 3.99Å; L53-K58 HydrophobicContact CD2-CB 4.45Å; L53-K58 HydrophobicContact CD2-CD 4.49Å; L53-K58 HydrophobicContact CG-CB 4.19Å; T54-K58 PolarHBondContact O-N 3.37Å; K55-K58 CarbonylContact O-C 3.45Å; K55-K58 WeakPolarHBondContact O-CA 3.4Å; K55-K58 WeakPolarHBondContact O-CB 3.5Å; K55-K58 PolarHBondContact O-N 3.34Å; K55-K58 VanDerWaalsContact O-N 3.09Å; D56-K58 VanDerWaalsContact C-N 3.31Å; D56-K58 PolarHBondContact O-N 3.09Å; K58-L61 PolarHBondContact O-N 3.46Å; K58-G62 PolarHBondContact O-N 2.66Å; K58-E107 WeakPolarHBondContact CE-OE2 3.08Å; K58-E107 IonicContact NZ-OE1 3.89Å; K58-E107 IonicContact NZ-OE2 2.64Å; K58-E107 PolarHBondContact NZ-OE2 3.17Å
59D97.8Very high97.3Very high78 Ų7866.5 Ų66.542%0.41735%0.351SS..Hα-helixtrans-65.1-44.4176.4-67.6-17.7000110.5K55 L61 G62 E63K55-D59 IonicContact NZ-OD2 2.61Å; K55-D59 PolarHBondContact NZ-OD2 3.21Å; K55-D59 PolarHBondContact O-N 2.99Å; D59-L61 VanDerWaalsContact C-N 3.34Å; D59-L61 PolarHBondContact O-N 3.49Å; D59-G62 WeakPolarHBondContact O-CA 3.23Å; D59-G62 PolarHBondContact O-N 3.32Å; D59-E63 PolarHBondContact O-N 2.86Å
60L98.3Very high97.3Very high89 Ų8966.4 Ų66.447%0.46635%0.349SS..Hα-helixtrans-56.6-43.9171.7174.463.7000112.5D56 G62 E63 L64D56-L60 WeakPolarHBondContact O-CB 3.33Å; D56-L60 PolarHBondContact O-N 2.89Å; L60-G62 VanDerWaalsContact C-N 3.28Å; L60-G62 PolarHBondContact O-N 2.71Å; L60-E63 PolarHBondContact O-N 2.76Å; L60-L64 WeakPolarHBondContact O-CB 2.81Å; L60-L64 PolarHBondContact O-N 3.44Å
61L97.9Very high97.3Very high2 Ų264.8 Ų64.81%0.0135%0.349CS..Hα-helixtrans-67.9-27.5175.6-74.2170.5000112.9Y40 V43 I44 L47 L53 K57 K58 D59 T65 W104Y40-L61 HydrophobicContact CE2-CD2 4.12Å; V43-L61 HydrophobicContact CG1-CD2 4.06Å; I44-L61 HydrophobicContact CD1-CD1 3.55Å; I44-L61 HydrophobicContact CD1-CD2 3.48Å; I44-L61 VanDerWaalsContact CD1-CD2 3.48Å; I44-L61 HydrophobicContact CD1-CG 4.12Å; I44-L61 HydrophobicContact CG1-CD2 3.96Å; L47-L61 HydrophobicContact CD1-CD1 3.97Å; L47-L61 HydrophobicContact CD1-CD2 3.89Å; L47-L61 HydrophobicContact CD1-CG 3.81Å; L53-L61 HydrophobicContact CD1-CD1 4.05Å; K57-L61 WeakPolarHBondContact O-CB 3.49Å; K57-L61 VanDerWaalsContact O-CG 3.24Å; K57-L61 WeakPolarHBondContact O-CG 3.25Å; K57-L61 PolarHBondContact O-N 3.25Å; K58-L61 PolarHBondContact O-N 3.46Å; D59-L61 VanDerWaalsContact C-N 3.34Å; D59-L61 PolarHBondContact O-N 3.49Å; L61-T65 WeakPolarHBondContact O-CB 3.24Å; L61-T65 WeakPolarHBondContact O-CG2 3.45Å; L61-T65 PolarHBondContact O-N 3Å; L61-T65 PolarHBondContact O-OG1 3.11Å; L61-W104 HydrophobicContact CD1-CH2 3.99Å; L61-W104 HydrophobicContact CD1-CZ3 4.02Å
62G97.4Very high97.3Very high40 Ų4069.9 Ų69.941%0.41238%0.38SS..Hα-helixtrans-69.9-40.1171.300000113K58 D59 L60 T65 K66K58-G62 PolarHBondContact O-N 2.66Å; D59-G62 WeakPolarHBondContact O-CA 3.23Å; D59-G62 PolarHBondContact O-N 3.32Å; L60-G62 VanDerWaalsContact C-N 3.28Å; L60-G62 PolarHBondContact O-N 2.71Å; G62-T65 WeakPolarHBondContact CA-OG1 3.4Å; G62-T65 PolarHBondContact O-OG1 3.43Å; G62-K66 PolarHBondContact O-N 3.39Å
63E98.1Very high97.3Very high128 Ų12871.7 Ų71.760%0.59839%0.387SS*.Hα-helixtrans-68.2-44.3171.7-66.4-169.7160.100111.1D59 L60 T65 K66 I67D59-E63 PolarHBondContact O-N 2.86Å; L60-E63 PolarHBondContact O-N 2.76Å; E63-T65 PolarHBondContact O-N 3.45Å; E63-K66 WeakPolarHBondContact O-CB 3.3Å; E63-K66 PolarHBondContact O-N 2.82Å; E63-K66 VanDerWaalsContact O-N 3.17Å; E63-I67 VanDerWaalsContact O-CG1 3.3Å; E63-I67 WeakPolarHBondContact O-CG1 3.41Å; E63-I67 PolarHBondContact O-N 2.7Å
64L98Very high97.3Very high36 Ų3676.2 Ų76.219%0.18840%0.404CS..Hα-helixtrans-66.6-37.3-179.5-167.569.4000112.8Y40 V43 L60 K66 I67 L68Y40-L64 HydrophobicContact CD2-CB 4.38Å; Y40-L64 HydrophobicContact CD2-CD2 3.65Å; Y40-L64 HydrophobicContact CD2-CG 3.8Å; Y40-L64 HydrophobicContact CE2-CB 4.13Å; Y40-L64 HydrophobicContact CE2-CD2 3.94Å; Y40-L64 HydrophobicContact CE2-CG 4.06Å; V43-L64 HydrophobicContact CB-CD2 3.88Å; V43-L64 HydrophobicContact CG1-CD2 3.77Å; V43-L64 HydrophobicContact CG2-CD2 3.92Å; L60-L64 WeakPolarHBondContact O-CB 2.81Å; L60-L64 PolarHBondContact O-N 3.44Å; L64-K66 VanDerWaalsContact C-N 3.31Å; L64-K66 PolarHBondContact O-N 3.37Å; L64-I67 PolarHBondContact O-N 2.89Å; L64-L68 HydrophobicContact CD1-CD1 3.76Å; L64-L68 HydrophobicContact CD1-CG 4.05Å; L64-L68 HydrophobicContact CD2-CD1 4.43Å; L64-L68 HydrophobicContact CG-CD1 3.9Å; L64-L68 HydrophobicContact CG-CG 4.35Å; L64-L68 WeakPolarHBondContact O-CB 3.36Å; L64-L68 PolarHBondContact O-N 3.35Å
65T97.5Very high97.3Very high24 Ų2473.9 Ų73.915%0.14739%0.388CS..Hα-helixtrans-61.4-40.5171.936.40000111.7Y40 L61 G62 E63 G69 I70 H75Y40-T65 HydrophobicContact CE1-CG2 4.3Å; Y40-T65 HydrophobicContact CE2-CG2 3.65Å; Y40-T65 VanDerWaalsContact CZ-CG2 3.47Å; Y40-T65 WeakPolarHBondContact OH-CG2 3.21Å; L61-T65 WeakPolarHBondContact O-CB 3.24Å; L61-T65 WeakPolarHBondContact O-CG2 3.45Å; L61-T65 PolarHBondContact O-N 3Å; L61-T65 PolarHBondContact O-OG1 3.11Å; G62-T65 WeakPolarHBondContact CA-OG1 3.4Å; G62-T65 PolarHBondContact O-OG1 3.43Å; E63-T65 PolarHBondContact O-N 3.45Å; T65-G69 PolarHBondContact O-N 2.87Å; T65-I70 HydrophobicContact CG2-CB 3.73Å; T65-I70 HydrophobicContact CG2-CG2 3.9Å; T65-I70 PolarHBondContact O-N 3.11Å; T65-H75 HydrophobicContact CG2-CB 3.84Å
66K97.4Very high97.3Very high183 Ų18371.7 Ų71.780%0.79638%0.375SS*.Hα-helixtrans-66.6-40.7176.5-176.5-174.8175.2-170.70112.4G62 E63 L64G62-K66 PolarHBondContact O-N 3.39Å; E63-K66 WeakPolarHBondContact O-CB 3.3Å; E63-K66 PolarHBondContact O-N 2.82Å; E63-K66 VanDerWaalsContact O-N 3.17Å; L64-K66 VanDerWaalsContact C-N 3.31Å; L64-K66 PolarHBondContact O-N 3.37Å
67I97.9Very high97.3Very high125 Ų12568.3 Ų68.364%0.64136%0.364SS*.Hα-helixtrans-71.7-44.9-178.7-68163.5000111.4E63 L64 G69E63-I67 VanDerWaalsContact O-CG1 3.3Å; E63-I67 WeakPolarHBondContact O-CG1 3.41Å; E63-I67 PolarHBondContact O-N 2.7Å; L64-I67 PolarHBondContact O-N 2.89Å; I67-G69 VanDerWaalsContact C-N 3.32Å; I67-G69 PolarHBondContact O-N 3.33Å
68L97.5Very high97.3Very high32 Ų3267.6 Ų67.617%0.16836%0.361CS..THydrogen-bonded Turntrans-91.717-178.2-57.7-178.7000113.5R33 E36 A39 Y40 L64 I70R33-L68 PolarHBondContact NH1-O 2.87Å; E36-L68 HydrophobicContact CB-CB 4.31Å; E36-L68 HydrophobicContact CG-CD2 4.31Å; A39-L68 HydrophobicContact CB-CD1 4.34Å; Y40-L68 HydrophobicContact CD2-CD1 4.4Å; L64-L68 HydrophobicContact CD1-CD1 3.76Å; L64-L68 HydrophobicContact CD1-CG 4.05Å; L64-L68 HydrophobicContact CD2-CD1 4.43Å; L64-L68 HydrophobicContact CG-CD1 3.9Å; L64-L68 HydrophobicContact CG-CG 4.35Å; L64-L68 WeakPolarHBondContact O-CB 3.36Å; L64-L68 PolarHBondContact O-N 3.35Å; L68-I70 HydrophobicContact CB-CD1 4.12Å; L68-I70 HydrophobicContact CB-CG1 3.86Å; L68-I70 WeakPolarHBondContact O-CD1 3.45Å; L68-I70 WeakPolarHBondContact O-CG1 3.23Å; L68-I70 PolarHBondContact O-N 3.05Å; L68-I70 VanDerWaalsContact O-N 3.1Å
69G96.8Very high97.4Very high48 Ų4863.2 Ų63.250%0.49534%0.342SS..THydrogen-bonded Turntrans55.331.917700000114.7R33 T65 I67R33-G69 PolarHBondContact NH1-O 3.08Å; R33-G69 PolarHBondContact NH2-O 3.48Å; T65-G69 PolarHBondContact O-N 2.87Å; I67-G69 VanDerWaalsContact C-N 3.32Å; I67-G69 PolarHBondContact O-N 3.33Å
70I98.1Very high97.4Very high12 Ų1263 Ų636%0.06234%0.335CS..  trans-84.6126.1-174.9-50.7-64.7000109.4L37 Y40 T65 L68 R74 H75L37-I70 HydrophobicContact CD2-CD1 3.7Å; Y40-I70 HydrophobicContact CD1-CG1 4.21Å; Y40-I70 HydrophobicContact CD1-CG2 4.03Å; Y40-I70 HydrophobicContact CD2-CG1 3.82Å; Y40-I70 HydrophobicContact CE1-CG2 4.07Å; Y40-I70 HydrophobicContact CE2-CG1 4.38Å; Y40-I70 HydrophobicContact CG-CD1 4.1Å; Y40-I70 HydrophobicContact CG-CG1 3.74Å; Y40-I70 HydrophobicContact CG-CG2 4.42Å; T65-I70 HydrophobicContact CG2-CB 3.73Å; T65-I70 HydrophobicContact CG2-CG2 3.9Å; T65-I70 PolarHBondContact O-N 3.11Å; L68-I70 HydrophobicContact CB-CD1 4.12Å; L68-I70 HydrophobicContact CB-CG1 3.86Å; L68-I70 WeakPolarHBondContact O-CD1 3.45Å; L68-I70 WeakPolarHBondContact O-CG1 3.23Å; L68-I70 PolarHBondContact O-N 3.05Å; L68-I70 VanDerWaalsContact O-N 3.1Å; I70-R74 HydrophobicContact CG2-CB 4.1Å; I70-R74 HydrophobicContact CG2-CG 3.97Å; I70-H75 HydrophobicContact CG2-CB 4.49Å
71S97Very high97.3Very high69 Ų6964 Ų6448%0.48333%0.333SS..  trans-72.5152.2177.564.90000112.1E73 R74 H75S71-E73 VanDerWaalsContact C-N 3.32Å; S71-E73 PolarHBondContact O-N 3.33Å; S71-R74 WeakPolarHBondContact O-CA 3.42Å; S71-R74 WeakPolarHBondContact O-CB 3.49Å; S71-R74 PolarHBondContact O-N 2.67Å; S71-R74 WeakPolarHBondContact OG-CB 3.48Å; S71-R74 PolarHBondContact OG-N 2.83Å; S71-H75 PolarHBondContact O-N 3.4Å
72T95.2Very high97.3Very high107 Ų10764 Ų6466%0.65633%0.332SS*.Hα-helixtrans-58.1-39.6-178.249.20000113.2H75 R76T72-H75 PolarHBondContact O-N 3.4Å; T72-R76 WeakPolarHBondContact O-CG 3.37Å; T72-R76 PolarHBondContact O-N 2.83Å
73E95.5Very high97.3Very high78 Ų7863.7 Ų63.736%0.36432%0.323SS..Hα-helixtrans-74.6-27.5176.4-167.153.1-135.800112.7S71 R76 A77 R80S71-E73 VanDerWaalsContact C-N 3.32Å; S71-E73 PolarHBondContact O-N 3.33Å; E73-R76 PolarHBondContact O-N 3.31Å; E73-R76 VanDerWaalsContact OE2-CD 3.27Å; E73-R76 WeakPolarHBondContact OE2-CD 3.35Å; E73-R76 IonicContact OE2-NH1 3.44Å; E73-R76 PolarHBondContact OE2-NH1 3.2Å; E73-A77 WeakPolarHBondContact O-CB 3.41Å; E73-A77 PolarHBondContact O-N 2.81Å; E73-R80 IonicContact OE1-CZ 3.05Å; E73-R80 VanDerWaalsContact OE1-CZ 3.31Å; E73-R80 IonicContact OE1-NH1 2.66Å; E73-R80 PolarHBondContact OE1-NH1 2.9Å; E73-R80 IonicContact OE1-NH2 3.93Å; E73-R80 PolarHBondContact OE1-NH2 2.91Å
74R97.1Very high97.2Very high106 Ų10663.8 Ų63.840%0.433%0.327SS..Hα-helixtrans-67.8-44.7170.1177.9174.1-89.5-87.75.9111I70 S71 R76 A77 E78I70-R74 HydrophobicContact CG2-CB 4.1Å; I70-R74 HydrophobicContact CG2-CG 3.97Å; S71-R74 WeakPolarHBondContact O-CA 3.42Å; S71-R74 WeakPolarHBondContact O-CB 3.49Å; S71-R74 PolarHBondContact O-N 2.67Å; S71-R74 WeakPolarHBondContact OG-CB 3.48Å; S71-R74 PolarHBondContact OG-N 2.83Å; R74-R76 VanDerWaalsContact C-N 3.3Å; R74-R76 PolarHBondContact O-N 3.09Å; R74-A77 PolarHBondContact O-N 3.32Å; R74-A77 VanDerWaalsContact O-N 3.16Å; R74-E78 WeakPolarHBondContact O-CB 3.11Å; R74-E78 PolarHBondContact O-N 3.31Å
75H97.5Very high97.2Very high21 Ų2164.5 Ų64.510%0.09733%0.331CS..Hα-helixtrans-53.8-46.1170.9158.856.2000111.6Y40 T65 I70 S71 T72 A77 E78 V79 E107Y40-H75 HydrophobicContact CE1-CB 4.37Å; Y40-H75 PolarHBondContact OH-ND1 2.73Å; T65-H75 HydrophobicContact CG2-CB 3.84Å; I70-H75 HydrophobicContact CG2-CB 4.49Å; S71-H75 PolarHBondContact O-N 3.4Å; T72-H75 PolarHBondContact O-N 3.4Å; H75-A77 PolarHBondContact O-N 2.83Å; H75-E78 WeakPolarHBondContact O-CB 2.94Å; H75-E78 PolarHBondContact O-N 2.8Å; H75-V79 WeakPolarHBondContact CE1-CG2 3.38Å; H75-V79 WeakPolarHBondContact O-CG2 3.39Å; H75-V79 PolarHBondContact O-N 3.11Å; H75-E107 IonicContact CD2-OE1 3.73Å; H75-E107 VanDerWaalsContact CE1-CG 3.47Å; H75-E107 WeakPolarHBondContact CE1-CG 3.29Å; H75-E107 IonicContact CE1-OE1 3.96Å; H75-E107 WeakPolarHBondContact NE2-CG 3.37Å; H75-E107 CovalentContact NE2-OE1 1.81Å; H75-E107 IonicContact NE2-OE1 1.81Å; H75-E107 PolarHBondContact NE2-OE1 2.92Å; H75-E107 IonicContact NE2-OE2 3.81Å
76R97.2Very high97.2Very high93 Ų9369.7 Ų69.735%0.35135%0.354SS..Hα-helixtrans-63.8-39.9175.8-68.9171.7170.8172.1-1.4113.4T72 E73 R74 E78 R80T72-R76 WeakPolarHBondContact O-CG 3.37Å; T72-R76 PolarHBondContact O-N 2.83Å; E73-R76 PolarHBondContact O-N 3.31Å; E73-R76 VanDerWaalsContact OE2-CD 3.27Å; E73-R76 WeakPolarHBondContact OE2-CD 3.35Å; E73-R76 IonicContact OE2-NH1 3.44Å; E73-R76 PolarHBondContact OE2-NH1 3.2Å; R74-R76 VanDerWaalsContact C-N 3.3Å; R74-R76 PolarHBondContact O-N 3.09Å; R76-E78 VanDerWaalsContact C-N 3.32Å; R76-R80 WeakPolarHBondContact O-CB 3.47Å; R76-R80 VanDerWaalsContact O-CG 3.26Å; R76-R80 WeakPolarHBondContact O-CG 3.1Å; R76-R80 PolarHBondContact O-N 3.2Å
77A97.3Very high97.2Very high45 Ų4569.3 Ų69.337%0.37235%0.347SS..Hα-helixtrans-64.4-38.6174.500000112.2E73 R74 H75 R80 R81E73-A77 WeakPolarHBondContact O-CB 3.41Å; E73-A77 PolarHBondContact O-N 2.81Å; R74-A77 PolarHBondContact O-N 3.32Å; R74-A77 VanDerWaalsContact O-N 3.16Å; H75-A77 PolarHBondContact O-N 2.83Å; A77-R80 WeakPolarHBondContact O-CB 3.15Å; A77-R80 PolarHBondContact O-N 3.37Å; A77-R81 PolarHBondContact O-N 2.94Å
78E97.8Very high97.2Very high11 Ų1164 Ų645%0.05132%0.32CS..Hα-helixtrans-65.8-49.2178.1-171.656.7-135.600111.5Y40 A41 I44 R74 H75 R76 R80 R81 A82Y40-E78 HydrophobicContact CD1-CG 3.94Å; Y40-E78 HydrophobicContact CE1-CB 4.37Å; Y40-E78 HydrophobicContact CE1-CG 4.01Å; A41-E78 WeakPolarHBondContact CA-OE1 3.47Å; A41-E78 WeakPolarHBondContact CB-OE1 3.37Å; I44-E78 HydrophobicContact CB-CG 3.86Å; I44-E78 HydrophobicContact CG1-CG 3.72Å; I44-E78 HydrophobicContact CG2-CG 3.97Å; R74-E78 WeakPolarHBondContact O-CB 3.11Å; R74-E78 PolarHBondContact O-N 3.31Å; H75-E78 WeakPolarHBondContact O-CB 2.94Å; H75-E78 PolarHBondContact O-N 2.8Å; R76-E78 VanDerWaalsContact C-N 3.32Å; E78-R80 VanDerWaalsContact C-N 3.32Å; E78-R80 PolarHBondContact O-N 3.1Å; E78-R81 PolarHBondContact O-N 3.44Å; E78-R81 VanDerWaalsContact O-N 3.13Å; E78-R81 IonicContact OE1-CZ 2.67Å; E78-R81 IonicContact OE1-NH1 3.75Å; E78-R81 PolarHBondContact OE1-NH1 3.11Å; E78-R81 IonicContact OE1-NH2 2.66Å; E78-R81 PolarHBondContact OE1-NH2 3.09Å; E78-R81 IonicContact OE2-CZ 3.93Å; E78-R81 IonicContact OE2-NH1 3.7Å; E78-R81 PolarHBondContact OE2-NH1 3.39Å; E78-A82 PolarHBondContact O-N 3.41Å; E78-A82 VanDerWaalsContact O-N 3.08Å
79V97.9Very high97.2Very high0 Ų064.1 Ų64.10%032%0.323CS..Hα-helixtrans-55.8-45.5170.3169.30000111.1I44 H75 R81 A82 V83 W104 E107I44-V79 HydrophobicContact CD1-CG2 3.99Å; H75-V79 WeakPolarHBondContact CE1-CG2 3.38Å; H75-V79 WeakPolarHBondContact O-CG2 3.39Å; H75-V79 PolarHBondContact O-N 3.11Å; V79-R81 VanDerWaalsContact C-N 3.32Å; V79-R81 PolarHBondContact O-N 3.42Å; V79-A82 PolarHBondContact O-N 2.91Å; V79-V83 HydrophobicContact CG1-CG2 4.16Å; V79-V83 VanDerWaalsContact O-CG2 3.32Å; V79-V83 WeakPolarHBondContact O-CG2 3.49Å; V79-V83 PolarHBondContact O-N 2.89Å; V79-W104 HydrophobicContact CG1-CB 4.4Å; V79-W104 HydrophobicContact CG1-CE3 3.93Å; V79-W104 WeakPolarHBondContact CG1-O 3.33Å; V79-W104 HydrophobicContact CG2-CE3 4.06Å; V79-W104 HydrophobicContact CG2-CZ3 4.1Å; V79-E107 HydrophobicContact CG1-CB 4.38Å; V79-E107 HydrophobicContact CG2-CG 4.32Å
80R97.3Very high97.2Very high74 Ų7465.4 Ų65.428%0.27932%0.321SS..Hα-helixtrans-59.6-39.6176.6-75.4-177.4-58.7-1059112.3E73 R76 A77 E78 N84 G108E73-R80 IonicContact OE1-CZ 3.05Å; E73-R80 VanDerWaalsContact OE1-CZ 3.31Å; E73-R80 IonicContact OE1-NH1 2.66Å; E73-R80 PolarHBondContact OE1-NH1 2.9Å; E73-R80 IonicContact OE1-NH2 3.93Å; E73-R80 PolarHBondContact OE1-NH2 2.91Å; R76-R80 WeakPolarHBondContact O-CB 3.47Å; R76-R80 VanDerWaalsContact O-CG 3.26Å; R76-R80 WeakPolarHBondContact O-CG 3.1Å; R76-R80 PolarHBondContact O-N 3.2Å; A77-R80 WeakPolarHBondContact O-CB 3.15Å; A77-R80 PolarHBondContact O-N 3.37Å; E78-R80 VanDerWaalsContact C-N 3.32Å; E78-R80 PolarHBondContact O-N 3.1Å; R80-N84 VanDerWaalsContact O-CB 3.31Å; R80-N84 WeakPolarHBondContact O-CB 3.49Å; R80-N84 PolarHBondContact O-N 3.13Å; R80-N84 VanDerWaalsContact O-N 3.09Å; R80-G108 VanDerWaalsContact CD-O 3.22Å; R80-G108 WeakPolarHBondContact CD-O 3.33Å; R80-G108 VanDerWaalsContact CG-O 3.24Å; R80-G108 WeakPolarHBondContact CG-O 3.3Å; R80-G108 PolarHBondContact NH1-O 2.72Å
81R97.8Very high97.2Very high111 Ų11167.6 Ų67.642%0.41933%0.332SS..Hα-helixtrans-63-48.8175.9-164.6-167.271.7-104.6-11.5110.9S45 A77 E78 V79 V83 N84 D85S45-R81 PolarHBondContact OG-NH2 3.22Å; A77-R81 PolarHBondContact O-N 2.94Å; E78-R81 PolarHBondContact O-N 3.44Å; E78-R81 VanDerWaalsContact O-N 3.13Å; E78-R81 IonicContact OE1-CZ 2.67Å; E78-R81 IonicContact OE1-NH1 3.75Å; E78-R81 PolarHBondContact OE1-NH1 3.11Å; E78-R81 IonicContact OE1-NH2 2.66Å; E78-R81 PolarHBondContact OE1-NH2 3.09Å; E78-R81 IonicContact OE2-CZ 3.93Å; E78-R81 IonicContact OE2-NH1 3.7Å; E78-R81 PolarHBondContact OE2-NH1 3.39Å; V79-R81 VanDerWaalsContact C-N 3.32Å; V79-R81 PolarHBondContact O-N 3.42Å; R81-V83 PolarHBondContact O-N 3.39Å; R81-N84 CarbonylContact O-C 3.59Å; R81-N84 PolarHBondContact O-N 3.33Å; R81-D85 PolarHBondContact O-N 3.4Å; R81-D85 VanDerWaalsContact O-N 3.11Å
82A97.4Very high97.2Very high0 Ų064.3 Ų64.30%031%0.309CS..Hα-helixtrans-68.5-32.3-178.300000113.4I44 R48 E78 V79 D85 L88I44-A82 HydrophobicContact CG2-CB 3.67Å; R48-A82 HydrophobicContact CB-CB 3.97Å; R48-A82 WeakPolarHBondContact CD-O 3.36Å; R48-A82 HydrophobicContact CG-CB 3.97Å; R48-A82 PolarHBondContact NE-O 3.47Å; E78-A82 PolarHBondContact O-N 3.41Å; E78-A82 VanDerWaalsContact O-N 3.08Å; V79-A82 PolarHBondContact O-N 2.91Å; A82-D85 PolarHBondContact O-N 2.98Å; A82-L88 HydrophobicContact CB-CD1 4.32Å
83V96.3Very high97.3Very high35 Ų3565.4 Ų65.421%0.21230%0.302CS..Hα-helixtrans-65.7-39.4171.6171.10000111.6V79 R81 D85 T89 W104V79-V83 HydrophobicContact CG1-CG2 4.16Å; V79-V83 VanDerWaalsContact O-CG2 3.32Å; V79-V83 WeakPolarHBondContact O-CG2 3.49Å; V79-V83 PolarHBondContact O-N 2.89Å; R81-V83 PolarHBondContact O-N 3.39Å; V83-D85 PolarHBondContact O-N 3.27Å; V83-T89 PolarHBondContact O-OG1 2.97Å; V83-W104 HydrophobicContact CG2-CB 3.44Å; V83-W104 VanDerWaalsContact CG2-CB 3.44Å; V83-W104 HydrophobicContact CG2-CG 4.33Å
84N96.7Very high97.4Very high129 Ų12968.2 Ų68.269%0.6932%0.315SS*.THydrogen-bonded Turntrans-82.84.4179-153.3114000113.1R80 R81R80-N84 VanDerWaalsContact O-CB 3.31Å; R80-N84 WeakPolarHBondContact O-CB 3.49Å; R80-N84 PolarHBondContact O-N 3.13Å; R80-N84 VanDerWaalsContact O-N 3.09Å; R81-N84 CarbonylContact O-C 3.59Å; R81-N84 PolarHBondContact O-N 3.33Å
85D97.6Very high97.3Very high51 Ų5169.3 Ų69.327%0.27333%0.326SS..  trans-88.7107175.5-173.9-43000109.3R81 A82 V83 R87 L88 T89R81-D85 PolarHBondContact O-N 3.4Å; R81-D85 VanDerWaalsContact O-N 3.11Å; A82-D85 PolarHBondContact O-N 2.98Å; V83-D85 PolarHBondContact O-N 3.27Å; D85-R87 VanDerWaalsContact C-N 3.26Å; D85-R87 PolarHBondContact O-N 2.83Å; D85-R87 WeakPolarHBondContact OD1-CA 3.27Å; D85-R87 WeakPolarHBondContact OD1-CB 3.3Å; D85-R87 PolarHBondContact OD1-N 3.45Å; D85-L88 HydrophobicContact CB-CB 4.07Å; D85-L88 HydrophobicContact CB-CD1 3.8Å; D85-L88 HydrophobicContact CB-CG 3.96Å; D85-L88 VanDerWaalsContact CG-CG 3.42Å; D85-L88 PolarHBondContact O-N 3.42Å; D85-L88 PolarHBondContact OD1-N 3.02Å; D85-L88 WeakPolarHBondContact OD2-CD1 3.31Å; D85-L88 WeakPolarHBondContact OD2-CG 3.49Å; D85-T89 VanDerWaalsContact O-CB 3.29Å; D85-T89 WeakPolarHBondContact O-CB 3.18Å; D85-T89 PolarHBondContact O-N 2.87Å; D85-T89 PolarHBondContact O-OG1 2.74Å
86E97.6Very high97.2Very high134 Ų13472 Ų7263%0.62635%0.347SS*.Hα-helixtrans-65.2-28.5-178.3-61.1-60163.200112.7T90E86-T90 WeakPolarHBondContact O-CB 3.44Å; E86-T90 PolarHBondContact O-N 3.22Å; E86-T90 PolarHBondContact O-OG1 3.43Å
87R98.3Very high96.9Very high174 Ų17468.6 Ų68.666%0.65734%0.341SS*.Hα-helixtrans-71.5-48.2176.3179.1179.4177.9-89.65.2110.1D85 T89 T90 I91D85-R87 VanDerWaalsContact C-N 3.26Å; D85-R87 PolarHBondContact O-N 2.83Å; D85-R87 WeakPolarHBondContact OD1-CA 3.27Å; D85-R87 WeakPolarHBondContact OD1-CB 3.3Å; D85-R87 PolarHBondContact OD1-N 3.45Å; R87-T89 VanDerWaalsContact C-N 3.27Å; R87-T89 PolarHBondContact O-N 3.16Å; R87-T90 PolarHBondContact O-N 2.89Å; R87-I91 HydrophobicContact CG-CD1 4.05Å; R87-I91 VanDerWaalsContact O-CG1 3.27Å; R87-I91 WeakPolarHBondContact O-CG1 3.41Å; R87-I91 PolarHBondContact O-N 3.4Å
88L97.9Very high96.6Very high13 Ų1370.3 Ų70.37%0.06835%0.349CS..Hα-helixtrans-66.3-31.8175.8-56.2174.7000111.7S45 A49 A82 D85 A92S45-L88 WeakPolarHBondContact OG-CD1 3.27Å; A49-L88 HydrophobicContact CB-CD2 3.95Å; A82-L88 HydrophobicContact CB-CD1 4.32Å; D85-L88 HydrophobicContact CB-CB 4.07Å; D85-L88 HydrophobicContact CB-CD1 3.8Å; D85-L88 HydrophobicContact CB-CG 3.96Å; D85-L88 VanDerWaalsContact CG-CG 3.42Å; D85-L88 PolarHBondContact O-N 3.42Å; D85-L88 PolarHBondContact OD1-N 3.02Å; D85-L88 WeakPolarHBondContact OD2-CD1 3.31Å; D85-L88 WeakPolarHBondContact OD2-CG 3.49Å; L88-A92 VanDerWaalsContact O-CB 3.26Å; L88-A92 WeakPolarHBondContact O-CB 3.31Å; L88-A92 PolarHBondContact O-N 3.46Å
89T96.8Very high96.2Very high36 Ų3676.5 Ų76.522%0.22138%0.382CS..Hα-helixtrans-65.5-44.1172.6-60.40000112.2R48 V83 D85 R87 A92 Y93R48-T89 PolarHBondContact NH2-OG1 3.31Å; V83-T89 PolarHBondContact O-OG1 2.97Å; D85-T89 VanDerWaalsContact O-CB 3.29Å; D85-T89 WeakPolarHBondContact O-CB 3.18Å; D85-T89 PolarHBondContact O-N 2.87Å; D85-T89 PolarHBondContact O-OG1 2.74Å; R87-T89 VanDerWaalsContact C-N 3.27Å; R87-T89 PolarHBondContact O-N 3.16Å; T89-A92 PolarHBondContact O-N 2.92Å; T89-Y93 PolarHBondContact O-N 3.02Å
90T97.2Very high95.8Very high74 Ų7477 Ų7745%0.45439%0.385SS..Hα-helixtrans-65.2-44.5175.8-59.10000111.3E86 R87 A92 Y93 H94E86-T90 WeakPolarHBondContact O-CB 3.44Å; E86-T90 PolarHBondContact O-N 3.22Å; E86-T90 PolarHBondContact O-OG1 3.43Å; R87-T90 PolarHBondContact O-N 2.89Å; T90-A92 PolarHBondContact O-N 2.88Å; T90-Y93 WeakPolarHBondContact O-CB 3.16Å; T90-Y93 PolarHBondContact O-N 2.89Å; T90-H94 PolarHBondContact O-CD2 3.29Å; T90-H94 PolarHBondContact O-N 3.37Å; T90-H94 VanDerWaalsContact O-N 3.12Å
91I98Very high95.5Very high59 Ų5975.7 Ų75.730%0.30339%0.387SS..Hα-helixtrans-60.3-46.7175.4-64.4161.7000110.3A49 R87 Y93 H94 M95A49-I91 HydrophobicContact CB-CB 4.37Å; A49-I91 HydrophobicContact CB-CG2 3.99Å; R87-I91 HydrophobicContact CG-CD1 4.05Å; R87-I91 VanDerWaalsContact O-CG1 3.27Å; R87-I91 WeakPolarHBondContact O-CG1 3.41Å; R87-I91 PolarHBondContact O-N 3.4Å; I91-Y93 VanDerWaalsContact C-N 3.29Å; I91-Y93 PolarHBondContact O-N 2.87Å; I91-H94 CarbonylContact O-C 3.12Å; I91-H94 PolarHBondContact O-N 2.93Å; I91-M95 HydrophobicContact CG2-CG 3.92Å; I91-M95 WeakPolarHBondContact O-CB 3.22Å; I91-M95 VanDerWaalsContact O-CG 3.27Å; I91-M95 WeakPolarHBondContact O-CG 3.24Å; I91-M95 PolarHBondContact O-N 2.93Å
92A97.7Very high95.3Very high0 Ų073.3 Ų73.30%039%0.387CS..Hα-helixtrans-62.4-33.7178.100000113.4R48 A49 L88 T89 T90 M95 S96 N100R48-A92 VanDerWaalsContact NH1-CB 3.26Å; R48-A92 VanDerWaalsContact O-CB 3.32Å; R48-A92 WeakPolarHBondContact O-CB 3.27Å; A49-A92 WeakPolarHBondContact O-CA 3.26Å; A49-A92 PolarHBondContact O-N 3.36Å; L88-A92 VanDerWaalsContact O-CB 3.26Å; L88-A92 WeakPolarHBondContact O-CB 3.31Å; L88-A92 PolarHBondContact O-N 3.46Å; T89-A92 PolarHBondContact O-N 2.92Å; T90-A92 PolarHBondContact O-N 2.88Å; A92-M95 PolarHBondContact O-N 3.08Å; A92-S96 PolarHBondContact O-N 3.06Å; A92-N100 VanDerWaalsContact C-ND2 3.32Å; A92-N100 HydrophobicContact CB-CB 4.27Å; A92-N100 WeakPolarHBondContact CB-OD1 3.5Å; A92-N100 PolarHBondContact O-ND2 3.1Å
93Y97Very high95.3Very high130 Ų13077.4 Ų77.451%0.5141%0.406SS..Hα-helixtrans-64.2-39.6172.5-179.8-91000112T89 T90 I91 G97 P98 N100T89-Y93 PolarHBondContact O-N 3.02Å; T90-Y93 WeakPolarHBondContact O-CB 3.16Å; T90-Y93 PolarHBondContact O-N 2.89Å; I91-Y93 VanDerWaalsContact C-N 3.29Å; I91-Y93 PolarHBondContact O-N 2.87Å; Y93-G97 WeakPolarHBondContact O-CA 3.32Å; Y93-G97 PolarHBondContact O-N 2.95Å; Y93-P98 HydrophobicContact CD2-CB 4.35Å; Y93-P98 HydrophobicContact CE2-CB 3.97Å; Y93-P98 HydrophobicContact CE2-CG 4.47Å; Y93-N100 WeakPolarHBondContact CA-ND2 3.47Å; Y93-N100 PolarHBondContact N-ND2 3.44Å
94H96.9Very high95.3Very high136 Ų13675.8 Ų75.863%0.6340%0.396SS*.Hα-helixtrans-79.5-23.5176.5-71.7-68.6000114.3T90 I91T90-H94 PolarHBondContact O-CD2 3.29Å; T90-H94 PolarHBondContact O-N 3.37Å; T90-H94 VanDerWaalsContact O-N 3.12Å; I91-H94 CarbonylContact O-C 3.12Å; I91-H94 PolarHBondContact O-N 2.93Å
95M96.1Very high95.2Very high130 Ų13072.4 Ų72.464%0.6438%0.383SS*.Hα-helixtrans-87.9-40.8179.2-67.6-6995.300113.9I91 A92I91-M95 HydrophobicContact CG2-CG 3.92Å; I91-M95 WeakPolarHBondContact O-CB 3.22Å; I91-M95 VanDerWaalsContact O-CG 3.27Å; I91-M95 WeakPolarHBondContact O-CG 3.24Å; I91-M95 PolarHBondContact O-N 2.93Å; A92-M95 PolarHBondContact O-N 3.08Å
96S93.6Very high95.1Very high77 Ų7773.4 Ų73.454%0.53839%0.387SS..Hα-helixtrans-124.9-1.1-176-75.70000114.4Q50 G51 A92Q50-S96 PolarHBondContact O-OG 3.22Å; G51-S96 WeakPolarHBondContact CA-OG 3.49Å; A92-S96 PolarHBondContact O-N 3.06Å
97G92.3Very high95Very high21 Ų2168.4 Ų68.422%0.21636%0.364CS..  trans83.4-171.4-177.400000114.5Y93 N100Y93-G97 WeakPolarHBondContact O-CA 3.32Å; Y93-G97 PolarHBondContact O-N 2.95Å; G97-N100 PolarHBondContact O-ND2 3.31Å
98P91.3Very high94.9Very high82 Ų8260.4 Ų60.453%0.53234%0.336SS..THydrogen-bonded Turntrans-63.2165.9176.425.9-34.4000113.1Y93 N100Y93-P98 HydrophobicContact CD2-CB 4.35Å; Y93-P98 HydrophobicContact CE2-CB 3.97Å; Y93-P98 HydrophobicContact CE2-CG 4.47Å; P98-N100 VanDerWaalsContact C-N 3.27Å; P98-N100 PolarHBondContact O-N 2.85Å
99N88.1Confident94.6Very high140 Ų14067.6 Ų67.675%0.74936%0.362SS*.THydrogen-bonded Turntrans69.112.9178.2-45.1-51000115.8S101N99-S101 PolarHBondContact O-N 2.93Å
100N90.7Very high94.3Very high12 Ų1273.8 Ų73.86%0.06438%0.381CS..THydrogen-bonded Turntrans-70.718.1-177.266.966.1000116.8R48 D52 A92 Y93 G97 P98R48-N100 PolarHBondContact NH1-OD1 2.87Å; R48-N100 PolarHBondContact NH2-OD1 2.87Å; D52-N100 WeakPolarHBondContact CA-O 3.4Å; A92-N100 VanDerWaalsContact C-ND2 3.32Å; A92-N100 HydrophobicContact CB-CB 4.27Å; A92-N100 WeakPolarHBondContact CB-OD1 3.5Å; A92-N100 PolarHBondContact O-ND2 3.1Å; Y93-N100 WeakPolarHBondContact CA-ND2 3.47Å; Y93-N100 PolarHBondContact N-ND2 3.44Å; G97-N100 PolarHBondContact O-ND2 3.31Å; P98-N100 VanDerWaalsContact C-N 3.27Å; P98-N100 PolarHBondContact O-N 2.85Å
101S91.2Very high93.5Very high45 Ų4578.5 Ų78.532%0.31540%0.403SS..THydrogen-bonded Turntrans-133.92.8-169.960.40000114.7N99 S105N99-S101 PolarHBondContact O-N 2.93Å; S101-S105 WeakPolarHBondContact O-CB 3.32Å; S101-S105 PolarHBondContact O-N 3.45Å; S101-S105 PolarHBondContact O-OG 3.36Å
102S93.8Very high92.8Very high62 Ų6279.3 Ų79.343%0.43441%0.41SS..Hα-helixtrans-65.1-56.6-176.9178.10000111.3W104 S105 I106S102-W104 PolarHBondContact O-N 3.39Å; S102-S105 CarbonylContact O-C 3.58Å; S102-S105 WeakPolarHBondContact O-CB 3.27Å; S102-S105 PolarHBondContact O-N 3.07Å; S102-S105 VanDerWaalsContact O-N 3.09Å; S102-I106 WeakPolarHBondContact O-CG1 3.33Å; S102-I106 PolarHBondContact O-N 3.47Å
103E95.9Very high91.8Very high86 Ų8684.6 Ų84.640%0.40245%0.445SS..Hα-helixtrans-71.7-35-174.2-62.7-50.7112.900111.2D52 L53 S105 I106 E107D52-E103 PolarHBondContact OD1-N 3.04Å; D52-E103 PolarHBondContact OD2-N 3.44Å; L53-E103 HydrophobicContact CB-CB 3.82Å; L53-E103 WeakPolarHBondContact O-CB 3.37Å; E103-S105 VanDerWaalsContact C-N 3.33Å; E103-S105 PolarHBondContact O-N 3.35Å; E103-I106 PolarHBondContact O-N 3.19Å; E103-I106 VanDerWaalsContact O-N 3.15Å; E103-I106 WeakPolarHBondContact OE1-CD1 3.41Å; E103-E107 WeakPolarHBondContact O-CB 3.22Å; E103-E107 PolarHBondContact O-N 2.95Å
104W96.8Very high91.1Very high0 Ų086.2 Ų86.20%046%0.461CS..Hα-helixtrans-59-40.7168.1-66.4110.1000112.8I44 L47 R48 G51 D52 L53 L61 V79 V83 S102 I106 E107 G108I44-W104 HydrophobicContact CD1-CZ3 4.11Å; L47-W104 VanDerWaalsContact C-CZ2 3.49Å; L47-W104 HydrophobicContact CB-CH2 3.82Å; L47-W104 HydrophobicContact CB-CZ2 3.97Å; R48-W104 HydrophobicContact CB-CD2 4.49Å; R48-W104 HydrophobicContact CB-CH2 4.38Å; R48-W104 HydrophobicContact CB-CZ2 3.97Å; R48-W104 HydrophobicContact CG-CD2 4.43Å; G51-W104 PolarHBondContact O-NE1 2.9Å; D52-W104 VanDerWaalsContact C-NE1 3.35Å; D52-W104 VanDerWaalsContact OD1-CD1 3.31Å; D52-W104 PolarHBondContact OD1-N 3.47Å; L53-W104 HydrophobicContact CB-CD2 3.7Å; L53-W104 HydrophobicContact CB-CE3 4.13Å; L53-W104 HydrophobicContact CB-CG 3.93Å; L53-W104 HydrophobicContact CB-CZ2 4.19Å; L53-W104 HydrophobicContact CD1-CE3 4.24Å; L53-W104 HydrophobicContact CD1-CH2 3.83Å; L53-W104 HydrophobicContact CD1-CZ2 4.08Å; L53-W104 HydrophobicContact CD1-CZ3 3.91Å; L53-W104 HydrophobicContact CD2-CD2 4.48Å; L53-W104 HydrophobicContact CD2-CE3 4.13Å; L53-W104 HydrophobicContact CD2-CZ3 4.46Å; L53-W104 HydrophobicContact CG-CD2 4.46Å; L53-W104 HydrophobicContact CG-CE3 4.41Å; L61-W104 HydrophobicContact CD1-CH2 3.99Å; L61-W104 HydrophobicContact CD1-CZ3 4.02Å; V79-W104 HydrophobicContact CG1-CB 4.4Å; V79-W104 HydrophobicContact CG1-CE3 3.93Å; V79-W104 WeakPolarHBondContact CG1-O 3.33Å; V79-W104 HydrophobicContact CG2-CE3 4.06Å; V79-W104 HydrophobicContact CG2-CZ3 4.1Å; V83-W104 HydrophobicContact CG2-CB 3.44Å; V83-W104 VanDerWaalsContact CG2-CB 3.44Å; V83-W104 HydrophobicContact CG2-CG 4.33Å; S102-W104 PolarHBondContact O-N 3.39Å; W104-I106 VanDerWaalsContact C-N 3.26Å; W104-I106 PolarHBondContact O-N 3.46Å; W104-E107 PolarHBondContact O-N 3.03Å; W104-G108 PolarHBondContact O-N 3.48Å
105S94.7Very high90.5Very high58 Ų5886.6 Ų86.641%0.40647%0.465SS..Hα-helixtrans-72.2-17.6177.1-60.80000113.4S101 S102 E103 R109S101-S105 WeakPolarHBondContact O-CB 3.32Å; S101-S105 PolarHBondContact O-N 3.45Å; S101-S105 PolarHBondContact O-OG 3.36Å; S102-S105 CarbonylContact O-C 3.58Å; S102-S105 WeakPolarHBondContact O-CB 3.27Å; S102-S105 PolarHBondContact O-N 3.07Å; S102-S105 VanDerWaalsContact O-N 3.09Å; E103-S105 VanDerWaalsContact C-N 3.33Å; E103-S105 PolarHBondContact O-N 3.35Å; S105-R109 WeakPolarHBondContact O-CG 3.49Å; S105-R109 PolarHBondContact O-NE 2.93Å
106I94.8Very high89.9Confident72 Ų7285.7 Ų85.737%0.36947%0.469SS..Hα-helixtrans-82.8-42.7170.2-68.8162.8000110.3S102 E103 W104 R109S102-I106 WeakPolarHBondContact O-CG1 3.33Å; S102-I106 PolarHBondContact O-N 3.47Å; E103-I106 PolarHBondContact O-N 3.19Å; E103-I106 VanDerWaalsContact O-N 3.15Å; E103-I106 WeakPolarHBondContact OE1-CD1 3.41Å; W104-I106 VanDerWaalsContact C-N 3.26Å; W104-I106 PolarHBondContact O-N 3.46Å; I106-R109 WeakPolarHBondContact O-CB 3.2Å; I106-R109 WeakPolarHBondContact O-CD 3.4Å; I106-R109 WeakPolarHBondContact O-CG 3.44Å; I106-R109 PolarHBondContact O-N 3.32Å
107E96.1Very high89.3Confident30 Ų3093.4 Ų93.414%0.1449%0.486CS..Hα-helixtrans-66.8-43.4-179.2-166.663-162.100112.5L53 K58 H75 V79 E103 W104 R109L53-E107 HydrophobicContact CD2-CB 3.56Å; L53-E107 HydrophobicContact CD2-CG 3.76Å; K58-E107 WeakPolarHBondContact CE-OE2 3.08Å; K58-E107 IonicContact NZ-OE1 3.89Å; K58-E107 IonicContact NZ-OE2 2.64Å; K58-E107 PolarHBondContact NZ-OE2 3.17Å; H75-E107 IonicContact CD2-OE1 3.73Å; H75-E107 VanDerWaalsContact CE1-CG 3.47Å; H75-E107 WeakPolarHBondContact CE1-CG 3.29Å; H75-E107 IonicContact CE1-OE1 3.96Å; H75-E107 WeakPolarHBondContact NE2-CG 3.37Å; H75-E107 CovalentContact NE2-OE1 1.81Å; H75-E107 IonicContact NE2-OE1 1.81Å; H75-E107 PolarHBondContact NE2-OE1 2.92Å; H75-E107 IonicContact NE2-OE2 3.81Å; V79-E107 HydrophobicContact CG1-CB 4.38Å; V79-E107 HydrophobicContact CG2-CG 4.32Å; E103-E107 WeakPolarHBondContact O-CB 3.22Å; E103-E107 PolarHBondContact O-N 2.95Å; W104-E107 PolarHBondContact O-N 3.03Å; E107-R109 PolarHBondContact O-N 3.16Å; E107-R109 VanDerWaalsContact O-N 3.08Å
108G95.4Very high88.3Confident6 Ų699.4 Ų99.46%0.06251%0.513CS..THydrogen-bonded Turntrans-70.41-179.300000115.8R80 W104 R110R80-G108 VanDerWaalsContact CD-O 3.22Å; R80-G108 WeakPolarHBondContact CD-O 3.33Å; R80-G108 VanDerWaalsContact CG-O 3.24Å; R80-G108 WeakPolarHBondContact CG-O 3.3Å; R80-G108 PolarHBondContact NH1-O 2.72Å; W104-G108 PolarHBondContact O-N 3.48Å; G108-R110 PolarHBondContact O-N 3.5Å
109R92.4Very high87.7Confident163 Ų163100.2 Ų100.262%0.61552%0.516SS*.PPolyproline II helixtrans-60.3118.9-171.6-74.8178.9-178.3-156.65.7112.9S105 I106 E107S105-R109 WeakPolarHBondContact O-CG 3.49Å; S105-R109 PolarHBondContact O-NE 2.93Å; I106-R109 WeakPolarHBondContact O-CB 3.2Å; I106-R109 WeakPolarHBondContact O-CD 3.4Å; I106-R109 WeakPolarHBondContact O-CG 3.44Å; I106-R109 PolarHBondContact O-N 3.32Å; E107-R109 PolarHBondContact O-N 3.16Å; E107-R109 VanDerWaalsContact O-N 3.08Å
110R89.5Confident86.6Confident167 Ų16799.2 Ų99.263%0.6352%0.517SS*.PPolyproline II helixtrans-85.5153.2161.946.6166.9-176.8-166.80.1110.5G108 V112G108-R110 PolarHBondContact O-N 3.5Å; R110-V112 HydrophobicContact CG-CG2 3.73Å; R110-V112 PolarHBondContact O-N 3.22Å
111L82.1Confident85Confident173 Ų173105.2 Ų105.291%0.90655%0.545SS*.PPolyproline II helixtrans-68.2119.2165.1-64.3174.3000108.6
112V81.5Confident83.5Confident76 Ų76108.3 Ų108.346%0.46156%0.562SS.*  trans-126.9128.5175.8-175.40000108R110 L114R110-V112 HydrophobicContact CG-CG2 3.73Å; R110-V112 PolarHBondContact O-N 3.22Å; V112-L114 PolarHBondContact O-N 2.86Å
113P78.6Confident81.5Confident111 Ų111108.6 Ų108.672%0.72157%0.568SS**  trans-62.798.1169.7-22.634.7000110.6M115P113-M115 HydrophobicContact CB-CG 4.48Å; P113-M115 PolarHBondContact O-N 2.92Å
114L81.3Confident79.6Confident163 Ų163111.6 Ų111.685%0.85358%0.58SS**  trans-77.468.7172.7-65.8-178.5000109.9V112V112-L114 PolarHBondContact O-N 2.86Å
115M84.1Confident78.5Confident144 Ų144114.9 Ų114.971%0.70960%0.6SS**PPolyproline II helixtrans-63127.9170.2-64.2-176.472.700108.6P113 R117P113-M115 HydrophobicContact CB-CG 4.48Å; P113-M115 PolarHBondContact O-N 2.92Å; M115-R117 PolarHBondContact O-N 3.39Å
116P83.3Confident77.4Confident112 Ų112116.1 Ų116.173%0.72761%0.614SS**PPolyproline II helixtrans-60132.8171.326.7-33.1000108L118P116-L118 PolarHBondContact O-N 2.88Å; P116-L118 VanDerWaalsContact O-N 3.09Å
117R80.4Confident76.6Confident238 Ų238117.5 Ų117.590%0.89863%0.626SS**PPolyproline II helixtrans-52.4122.9176.4-75.2-178175.4147.2-1.1108.4M115 V119M115-R117 PolarHBondContact O-N 3.39Å; R117-V119 PolarHBondContact O-N 3.37Å
118L72.5Confident75.7Confident148 Ų148117.9 Ų117.978%0.77563%0.634SS**  trans-61.7106.5175.5-78.873.5000107.6P116P116-L118 PolarHBondContact O-N 2.88Å; P116-L118 VanDerWaalsContact O-N 3.09Å
119V79.3Confident75.1Confident99 Ų99121.4 Ų121.460%0.665%0.651SS**  trans-54134.6158179.20000106R117 Q121R117-V119 PolarHBondContact O-N 3.37Å; V119-Q121 VanDerWaalsContact C-N 3.35Å; V119-Q121 PolarHBondContact O-N 2.85Å
120P64.1Low74.7Confident119 Ų119116.4 Ų116.477%0.77365%0.645SS**  trans-60.997.6179.123.9-34000109.9T122P120-T122 PolarHBondContact O-N 3.45Å; P120-T122 VanDerWaalsContact O-N 3.16Å
121Q57.2Low74.5Confident137 Ų137112.6 Ų112.664%0.6464%0.64SS**  trans-75.9100.9174.9-60.9-62.3-21.200107.1V119 A123V119-Q121 VanDerWaalsContact C-N 3.35Å; V119-Q121 PolarHBondContact O-N 2.85Å; Q121-A123 PolarHBondContact O-N 3.25Å; Q121-A123 VanDerWaalsContact O-N 3.1Å
122T60Low74.5Confident111 Ų111107.2 Ų107.268%0.68162%0.621SS**  trans-51.2119.1151.9490000106P120 F124P120-T122 PolarHBondContact O-N 3.45Å; P120-T122 VanDerWaalsContact O-N 3.16Å; T122-F124 VanDerWaalsContact C-N 3.33Å; T122-F124 WeakPolarHBondContact O-CD2 3.44Å; T122-F124 PolarHBondContact O-N 2.81Å
123A51.9Low74.6Confident67 Ų67106.7 Ų106.755%0.55462%0.62SS**  trans-57.783-149.900000115.5Q121 T125 A128Q121-A123 PolarHBondContact O-N 3.25Å; Q121-A123 VanDerWaalsContact O-N 3.1Å; A123-T125 PolarHBondContact O-N 2.89Å; A123-A128 WeakPolarHBondContact O-CB 3.38Å
124F55.4Low74.9Confident149 Ų149103.8 Ų103.865%0.65461%0.605SS**  trans-75.943.8172.1-94.9-78.8000111.2T122T122-F124 VanDerWaalsContact C-N 3.33Å; T122-F124 WeakPolarHBondContact O-CD2 3.44Å; T122-F124 PolarHBondContact O-N 2.81Å
125T73.1Confident75.1Confident69 Ų6999 Ų9942%0.42358%0.583SS.*  trans-74.8145.8169.8690000108.7A123 T127 A128 N129A123-T125 PolarHBondContact O-N 2.89Å; T125-T127 PolarHBondContact O-N 3.13Å; T125-A128 PolarHBondContact O-N 3.39Å; T125-A128 VanDerWaalsContact O-N 3.11Å; T125-A128 VanDerWaalsContact OG1-CB 3.27Å; T125-A128 WeakPolarHBondContact OG1-CB 3.47Å; T125-A128 PolarHBondContact OG1-N 2.91Å; T125-N129 PolarHBondContact O-N 2.84Å; T125-N129 VanDerWaalsContact O-N 3.1Å
126A73.1Confident75.1Confident84 Ų8494.7 Ų94.769%0.69457%0.57SS**Hα-helixtrans-56.7-34172.400000110.8N129 A130A126-N129 PolarHBondContact O-N 3.26Å; A126-A130 WeakPolarHBondContact O-CB 3.44Å; A126-A130 PolarHBondContact O-N 3.44Å
127T77.3Confident75.2Confident102 Ų10295.1 Ų95.163%0.62657%0.566SS**Hα-helixtrans-60.5-47.8173.2-38.90000112.7T125 A130 V131T125-T127 PolarHBondContact O-N 3.13Å; T127-A130 PolarHBondContact O-N 3.49Å; T127-V131 WeakPolarHBondContact O-CB 3.43Å; T127-V131 VanDerWaalsContact O-CG2 3.3Å; T127-V131 WeakPolarHBondContact O-CG2 3.47Å; T127-V131 PolarHBondContact O-N 3.1Å
128A77.8Confident75.4Confident37 Ų3790.2 Ų90.231%0.30655%0.554SS.*Hα-helixtrans-66-40.7179.100000111.9A123 T125 A132A123-A128 WeakPolarHBondContact O-CB 3.38Å; T125-A128 PolarHBondContact O-N 3.39Å; T125-A128 VanDerWaalsContact O-N 3.11Å; T125-A128 VanDerWaalsContact OG1-CB 3.27Å; T125-A128 WeakPolarHBondContact OG1-CB 3.47Å; T125-A128 PolarHBondContact OG1-N 2.91Å; A128-A132 WeakPolarHBondContact O-CB 3.44Å; A128-A132 PolarHBondContact O-N 3.16Å
129N82.3Confident75.8Confident80 Ų8087.8 Ų87.843%0.42854%0.541SS..Hα-helixtrans-65.5-37.7173.2-75.3-29.6000112.2T125 A126 S133T125-N129 PolarHBondContact O-N 2.84Å; T125-N129 VanDerWaalsContact O-N 3.1Å; A126-N129 PolarHBondContact O-N 3.26Å; N129-S133 VanDerWaalsContact O-CB 3.26Å; N129-S133 WeakPolarHBondContact O-CB 3.32Å; N129-S133 PolarHBondContact O-N 2.68Å; N129-S133 PolarHBondContact O-OG 2.69Å
130A84.4Confident75.9Confident59 Ų5987.1 Ų87.149%0.48855%0.546SS..Hα-helixtrans-69.3-42.9176.600000112.1A126 T127 S133 A134A126-A130 WeakPolarHBondContact O-CB 3.44Å; A126-A130 PolarHBondContact O-N 3.44Å; T127-A130 PolarHBondContact O-N 3.49Å; A130-S133 PolarHBondContact O-N 2.87Å; A130-A134 VanDerWaalsContact O-CB 3.27Å; A130-A134 WeakPolarHBondContact O-CB 3.35Å; A130-A134 PolarHBondContact O-N 2.77Å
131V85.1Confident76.7Confident87 Ų8786 Ų8653%0.52754%0.542SS..Hα-helixtrans-64-48.9173.8169.90000110.1T127 S133 A134 T135T127-V131 WeakPolarHBondContact O-CB 3.43Å; T127-V131 VanDerWaalsContact O-CG2 3.3Å; T127-V131 WeakPolarHBondContact O-CG2 3.47Å; T127-V131 PolarHBondContact O-N 3.1Å; V131-S133 VanDerWaalsContact C-N 3.28Å; V131-S133 PolarHBondContact O-N 3.22Å; V131-A134 PolarHBondContact O-N 2.91Å; V131-A134 VanDerWaalsContact O-N 3.13Å; V131-T135 WeakPolarHBondContact O-CB 3.16Å; V131-T135 PolarHBondContact O-N 3.32Å; V131-T135 PolarHBondContact O-OG1 2.92Å; V131-T135 VanDerWaalsContact O-OG1 3.09Å
132A81.4Confident77.7Confident60 Ų6084.9 Ų84.950%0.49654%0.539SS..Hα-helixtrans-58.6-39.4175.900000112.3A128 A136A128-A132 WeakPolarHBondContact O-CB 3.44Å; A128-A132 PolarHBondContact O-N 3.16Å; A132-A136 WeakPolarHBondContact O-CB 3.19Å; A132-A136 PolarHBondContact O-N 3.34Å
133S83.6Confident78.4Confident64 Ų6485.3 Ų85.345%0.44854%0.537SS..Hα-helixtrans-69.9-39.1175.1-57.50000112.5N129 A130 V131 A136 N137N129-S133 VanDerWaalsContact O-CB 3.26Å; N129-S133 WeakPolarHBondContact O-CB 3.32Å; N129-S133 PolarHBondContact O-N 2.68Å; N129-S133 PolarHBondContact O-OG 2.69Å; A130-S133 PolarHBondContact O-N 2.87Å; V131-S133 VanDerWaalsContact C-N 3.28Å; V131-S133 PolarHBondContact O-N 3.22Å; S133-A136 PolarHBondContact O-N 3.19Å; S133-N137 WeakPolarHBondContact O-CB 3.26Å; S133-N137 PolarHBondContact O-N 3.48Å; S133-N137 PolarHBondContact O-ND2 3.08Å
134A86.3Confident79.2Confident50 Ų5087.4 Ų87.441%0.41354%0.538SS..Hα-helixtrans-66.7-44.8176.600000111.5A130 V131 N137 Q138A130-A134 VanDerWaalsContact O-CB 3.27Å; A130-A134 WeakPolarHBondContact O-CB 3.35Å; A130-A134 PolarHBondContact O-N 2.77Å; V131-A134 PolarHBondContact O-N 2.91Å; V131-A134 VanDerWaalsContact O-N 3.13Å; A134-N137 PolarHBondContact O-N 3.09Å; A134-Q138 PolarHBondContact O-N 2.73Å
135T84.2Confident79.7Confident64 Ų6486 Ų8639%0.39354%0.544SS..Hα-helixtrans-65-39.8173.4-56.40000111.4V131 Q138 N139V131-T135 WeakPolarHBondContact O-CB 3.16Å; V131-T135 PolarHBondContact O-N 3.32Å; V131-T135 PolarHBondContact O-OG1 2.92Å; V131-T135 VanDerWaalsContact O-OG1 3.09Å; T135-Q138 PolarHBondContact O-N 2.79Å; T135-N139 VanDerWaalsContact O-CB 3.31Å; T135-N139 WeakPolarHBondContact O-CB 3.2Å; T135-N139 PolarHBondContact O-N 2.96Å; T135-N139 PolarHBondContact O-OD1 3.23Å
136A84.4Confident79.5Confident53 Ų5387.2 Ų87.244%0.43856%0.561SS.*Hα-helixtrans-63.3-40.5173.700000112.2A132 S133 N139 A140A132-A136 WeakPolarHBondContact O-CB 3.19Å; A132-A136 PolarHBondContact O-N 3.34Å; S133-A136 PolarHBondContact O-N 3.19Å; A136-N139 PolarHBondContact O-N 3.12Å; A136-A140 WeakPolarHBondContact O-CB 3.37Å; A136-A140 PolarHBondContact O-N 3.47Å
137N85.5Confident79Confident120 Ų12088.5 Ų88.564%0.64255%0.553SS**Hα-helixtrans-68.3-37.9175.7-71.2-21.6000112.4S133 A134 A140 S141S133-N137 WeakPolarHBondContact O-CB 3.26Å; S133-N137 PolarHBondContact O-N 3.48Å; S133-N137 PolarHBondContact O-ND2 3.08Å; A134-N137 PolarHBondContact O-N 3.09Å; N137-A140 PolarHBondContact O-N 2.96Å; N137-S141 PolarHBondContact O-N 3.41Å
138Q85.1Confident78.2Confident135 Ų13587.6 Ų87.663%0.63155%0.547SS*.Hα-helixtrans-65.2-45.2171.5-76-172.6-9.400111.2A134 T135 A140 S141 L142A134-Q138 PolarHBondContact O-N 2.73Å; T135-Q138 PolarHBondContact O-N 2.79Å; Q138-A140 PolarHBondContact O-N 3.32Å; Q138-S141 WeakPolarHBondContact O-CA 3.21Å; Q138-S141 WeakPolarHBondContact O-CB 3.35Å; Q138-S141 PolarHBondContact O-N 2.94Å; Q138-S141 PolarHBondContact O-OG 3.46Å; Q138-L142 PolarHBondContact O-N 2.9Å
139N81.3Confident77.3Confident97 Ų9787.9 Ų87.952%0.51955%0.554SS.*Hα-helixtrans-62.9-30.1175.8-68.9-7.3000112.6T135 A136 S141 L142T135-N139 VanDerWaalsContact O-CB 3.31Å; T135-N139 WeakPolarHBondContact O-CB 3.2Å; T135-N139 PolarHBondContact O-N 2.96Å; T135-N139 PolarHBondContact O-OD1 3.23Å; A136-N139 PolarHBondContact O-N 3.12Å; N139-S141 VanDerWaalsContact C-N 3.27Å; N139-S141 PolarHBondContact O-N 3.21Å; N139-L142 PolarHBondContact O-N 3.39Å
140A81.7Confident75.9Confident85 Ų8591.5 Ų91.570%0.70257%0.573SS**THydrogen-bonded Turntrans-76.7-9.8172.300000113.9A136 N137 Q138A136-A140 WeakPolarHBondContact O-CB 3.37Å; A136-A140 PolarHBondContact O-N 3.47Å; N137-A140 PolarHBondContact O-N 2.96Å; Q138-A140 PolarHBondContact O-N 3.32Å
141S80.6Confident74.6Confident96 Ų9697.7 Ų97.767%0.67159%0.589SS**THydrogen-bonded Turntrans-95.4-11.4168.473.90000113.4N137 Q138 N139N137-S141 PolarHBondContact O-N 3.41Å; Q138-S141 WeakPolarHBondContact O-CA 3.21Å; Q138-S141 WeakPolarHBondContact O-CB 3.35Å; Q138-S141 PolarHBondContact O-N 2.94Å; Q138-S141 PolarHBondContact O-OG 3.46Å; N139-S141 VanDerWaalsContact C-N 3.27Å; N139-S141 PolarHBondContact O-N 3.21Å
142L78Confident73.2Confident113 Ų113101.6 Ų101.659%0.59260%0.601SS**SBendtrans-78.6151165.4-57.4178.9000109.1Q138 N139Q138-L142 PolarHBondContact O-N 2.9Å; N139-L142 PolarHBondContact O-N 3.39Å
143L74.6Confident71.6Confident120 Ų120104.4 Ų104.463%0.62861%0.612SS**PPolyproline II helixtrans-59.9150170.3-65.7178.5000110.1E147L143-E147 HydrophobicContact CB-CB 4.31Å
144L68.8Low70Confident111 Ų111107.9 Ų107.958%0.58163%0.63SS**PPolyproline II helixtrans-60.8149.1175.7-66170000109.6A146 E147 T148L144-A146 PolarHBondContact O-N 3.34Å; L144-A146 VanDerWaalsContact O-N 3.08Å; L144-E147 HydrophobicContact CB-CG 4.17Å; L144-E147 WeakPolarHBondContact CB-OE2 3.2Å; L144-E147 PolarHBondContact N-OE2 3.06Å; L144-E147 VanDerWaalsContact N-OE2 3.16Å; L144-E147 WeakPolarHBondContact O-CA 3.45Å; L144-E147 PolarHBondContact O-N 2.79Å; L144-T148 PolarHBondContact O-N 3.13Å; L144-T148 PolarHBondContact O-OG1 3.23Å; L144-T148 VanDerWaalsContact O-OG1 3.11Å
145P66.3Low68.3Low121 Ų121110.8 Ų110.879%0.78664%0.643SS**THydrogen-bonded Turntrans-54.9-30.7177.3-29.236.6000113.5E147P145-E147 VanDerWaalsContact C-N 3.32Å; P145-E147 PolarHBondContact O-N 2.96Å
146A67.2Low66Low94 Ų94112.9 Ų112.978%0.77766%0.659SS**THydrogen-bonded Turntrans-70.7-21.4174.400000114.5L144L144-A146 PolarHBondContact O-N 3.34Å; L144-A146 VanDerWaalsContact O-N 3.08Å
147E62.5Low63.7Low110 Ų110120.6 Ų120.651%0.51468%0.678SS.*THydrogen-bonded Turntrans-97-24.5-179.7-62.9176131.700112.2L143 L144 P145 G149L143-E147 HydrophobicContact CB-CB 4.31Å; L144-E147 HydrophobicContact CB-CG 4.17Å; L144-E147 WeakPolarHBondContact CB-OE2 3.2Å; L144-E147 PolarHBondContact N-OE2 3.06Å; L144-E147 VanDerWaalsContact N-OE2 3.16Å; L144-E147 WeakPolarHBondContact O-CA 3.45Å; L144-E147 PolarHBondContact O-N 2.79Å; P145-E147 VanDerWaalsContact C-N 3.32Å; P145-E147 PolarHBondContact O-N 2.96Å; E147-G149 PolarHBondContact O-N 2.86Å
148T61.9Low61.2Low84 Ų84120 Ų12052%0.51568%0.683SS.*SBendtrans-72.7-9.2174.4-50.20000112.4L144 N150L144-T148 PolarHBondContact O-N 3.13Å; L144-T148 PolarHBondContact O-OG1 3.23Å; L144-T148 VanDerWaalsContact O-OG1 3.11Å; T148-N150 PolarHBondContact O-N 3.37Å
149G59.2Low58.7Low43 Ų43124.1 Ų124.144%0.44369%0.694SS.*SBendtrans-68.8108171.800000112.3E147 K151E147-G149 PolarHBondContact O-N 2.86Å; G149-K151 PolarHBondContact O-N 2.94Å
150N52.5Low56.4Low156 Ų156125.3 Ų125.383%0.83471%0.705SS**  trans-64.689.6176.1-70.1-45.7000111.8T148 E152T148-N150 PolarHBondContact O-N 3.37Å; N150-E152 PolarHBondContact O-N 2.87Å
151K57.4Low53.9Low188 Ų188125.6 Ų125.682%0.81770%0.703SS**  trans-78.256.5171.853.5169.3172.7-66.70112.5G149G149-K151 PolarHBondContact O-N 2.94Å
152E55.4Low51.5Low169 Ų169127.1 Ų127.179%0.7971%0.708SS**  trans-103.9175.4170.8-70-152.6157.700112.2N150N150-E152 PolarHBondContact O-N 2.87Å
153V46.8Very low49.4Very low120 Ų120127.9 Ų127.973%0.72772%0.717SS**  trans67.583.4-178.7-152.40000114.6V155V153-V155 HydrophobicContact CB-CG2 4.49Å; V153-V155 HydrophobicContact CG1-CG2 3.52Å; V153-V155 PolarHBondContact O-N 3.41Å; V153-V155 VanDerWaalsContact O-N 3.09Å
154V50.7Low47.3Very low136 Ų136127.2 Ų127.282%0.82472%0.723SS**  trans-59.9106.7153174.80000108.4
155V49.7Very low45.6Very low112 Ų112128.2 Ų128.268%0.67973%0.733SS**  trans-108.7109164-174.20000108.4V153 Y157V153-V155 HydrophobicContact CB-CG2 4.49Å; V153-V155 HydrophobicContact CG1-CG2 3.52Å; V153-V155 PolarHBondContact O-N 3.41Å; V153-V155 VanDerWaalsContact O-N 3.09Å; V155-Y157 PolarHBondContact O-N 2.89Å
156C36.6Very low45.1Very low107 Ų107127.6 Ų127.672%0.72373%0.729SS**  trans-75.6113.2173.9-61.90000110.3
157Y36.5Very low43.6Very low216 Ų216128.9 Ų128.985%0.84773%0.728SS**  trans-137.2103.1149.3-104.6-77.5000109.9V155V155-Y157 PolarHBondContact O-N 2.89Å
158S32.7Very low42.2Very low106 Ų106128.5 Ų128.574%0.74174%0.737SS**  trans-89.8118.9-178.151.40000111.1
159Y32.9Very low41.2Very low222 Ų222128.5 Ų128.587%0.87175%0.746SS**  trans-126150.2151.3-95.6-80.7000110.6
160T32.8Very low39.9Very low122 Ų122133.1 Ų133.175%0.74877%0.766SS**  trans-81.3167.5-151.847.60000115.8
161S27.9Very low39.2Very low92 Ų92130 Ų13064%0.64376%0.761SS**  trans95.697.8155.1-52.70000115.4
162T31.9Very low38Very low127 Ų127126.1 Ų126.178%0.77976%0.758SS**  82.9136.19460.70000113
163T33Very low36.7Very low129 Ų129123.4 Ų123.479%0.79176%0.758SS**  cis-172.7150.40.4-86.20000104.9
164S31.6Very low36Very low106 Ų106120.6 Ų120.674%0.74175%0.753SS**  cis-142.9153.87.939.30000111.6
165T32.9Very low36.2Very low132 Ų132120.1 Ų120.181%0.8175%0.753SS**  trans-97.4-161.8174.249.40000111
166P55.5Low35.5Very low108 Ų108121.4 Ų121.470%0.70176%0.76SS**  -133.9-128-75.343-26.1000111.6
167T35.2Very low35.2Very low122 Ų122119.7 Ų119.775%0.74876%0.761SS**  trans97.5130.7157.4-370000115.1
168S33.3Very low35.2Very low101 Ų101113.6 Ų113.671%0.70676%0.755SS**  cis-146.4144.7-0.5-120.50000110.4
169A40.4Very low35.3Very low85 Ų85115.1 Ų115.170%0.70276%0.761SS**  68.1137.889.200000115.2
170T32.8Very low35.2Very low140 Ų140111.2 Ų111.286%0.85976%0.759SS**  -158.5157.963.7-57.90000113.9
171A37.1Very low35.2Very low89 Ų89114.7 Ų114.774%0.73676%0.764SS**  trans-70.9-175.2178.300000114.3
172S32.2Very low35.4Very low108 Ų108115.8 Ų115.876%0.75577%0.772SS**  cis-156.5-164.814.3-150.90000109.2
173S28.6Very low36.3Very low112 Ų112115.9 Ų115.978%0.78378%0.775SS**  cis-164.5-178.99.2-137.50000112.7
174G32.5Very low36.7Very low61 Ų61120 Ų12063%0.62978%0.776SS**  trans-122.3-146.1162.600000111.1
175P54.4Low36.9Very low126 Ų126120.6 Ų120.682%0.81878%0.777SS**  cis-106.6-138.8-15.611.913.8000110.9
176V35.6Very low37Very low138 Ų138118.8 Ų118.884%0.83678%0.775SS**  cis-159.7153.28.5-144.40000112.4
177G29.4Very low36.1Very low71 Ų71118 Ų11873%0.73277%0.773SS**  trans104.7146.7136.100000120.2
178A37.3Very low36.1Very low88 Ų88118 Ų11873%0.72778%0.775SS**  cis-166.9127-17.500000113.7
179T33.7Very low36.9Very low139 Ų139119 Ų11985%0.85378%0.781SS**  trans59.8155.7155.555.50000118.8
180V30.6Very low37.1Very low140 Ų140118.9 Ų118.985%0.84878%0.776SS**  cis-139.7175.837170.30000111.7
181K33.3Very low38Very low194 Ų194118.8 Ų118.884%0.84377%0.77SS**  trans-112.3167-166.6-63.9178.4176177.60116
182S33Very low38.6Very low116 Ų116116.6 Ų116.681%0.81175%0.748SS**  trans79.2156.9153.4-88.40000118.7
183P49.8Very low39.7Very low129 Ų129115.7 Ų115.784%0.83874%0.737SS**  cis-117.3-177.8841-29.5000116
184R41.8Very low41.1Very low215 Ų215115 Ų11581%0.81173%0.728SS**  trans-127.8132.6-171.9170.8-172.7-162.9-172.811.4111.9
185P36.7Very low43Very low118 Ų118116 Ų11677%0.76672%0.719SS**PPolyproline II helixtrans-91.5163.1154.4-6.626.3000112.2
186A34.4Very low42.7Very low94 Ų94116.9 Ų116.978%0.77772%0.724SS**PPolyproline II helixtrans-87.4158.4-172.300000114.6
187S35.3Very low43.8Very low93 Ų93114.9 Ų114.965%0.6572%0.716SS**PPolyproline II helixtrans-84.3141.4177.3-49.30000112.2S189S187-S189 PolarHBondContact O-N 2.91Å
188P36.9Very low45Very low121 Ų121114.1 Ų114.179%0.78671%0.708SS**  trans-77.4108159.431-30.1000109.5S190P188-S190 PolarHBondContact O-N 3.48Å
189S49.1Very low45.7Very low121 Ų121113.1 Ų113.185%0.84670%0.696SS**  trans-85.890.817754.20000111.3S187S187-S189 PolarHBondContact O-N 2.91Å
190S45.4Very low47.3Very low84 Ų84110.3 Ų110.359%0.58768%0.679SS**SBendtrans-153.3155.7166.462.90000110.4P188 V192P188-S190 PolarHBondContact O-N 3.48Å; S190-V192 PolarHBondContact O-N 2.88Å
191N52.1Low48.3Very low137 Ų137106.9 Ų106.973%0.73366%0.658SS**SBendtrans-80.239.2-168.7-61.6-57.4000113.9Y202N191-Y202 HydrophobicContact CB-CD1 4.05Å; N191-Y202 WeakPolarHBondContact O-CA 2.8Å; N191-Y202 WeakPolarHBondContact O-CD1 3.45Å
192V48.1Very low48.9Very low44 Ų44105.3 Ų105.327%0.26765%0.648SS.*  trans-119.3118.2-166.9-158.60000110.7S190 T200 Y202S190-V192 PolarHBondContact O-N 2.88Å; V192-T200 HydrophobicContact CG1-CG2 3.49Å; V192-T200 VanDerWaalsContact CG1-CG2 3.49Å; V192-Y202 HydrophobicContact CG1-CE2 4.12Å; V192-Y202 HydrophobicContact CG2-CD1 4.41Å; V192-Y202 HydrophobicContact CG2-CE1 3.66Å; V192-Y202 HydrophobicContact CG2-CE2 4.31Å
193V56.3Low49.8Very low88 Ų88105.7 Ų105.753%0.53365%0.645SS.*EExtended strand (participates in β ladder)trans-100.8115.2169.9-179.60000108.7T200 V201V193-T200 WeakPolarHBondContact O-CA 3.47Å; V193-V201 PolarHBondContact N-O 3.32Å; V193-V201 PolarHBondContact O-N 3.41Å
194V58.4Low49.1Very low97 Ų97109.1 Ų109.159%0.58865%0.647SS**EExtended strand (participates in β ladder)trans-82123.8168.8-168.90000108T200V194-T200 HydrophobicContact CB-CG2 4.22Å; V194-T200 HydrophobicContact CG1-CG2 4.4Å; V194-T200 HydrophobicContact CG2-CG2 3.67Å
195L71.6Confident49.1Very low84 Ų84104.3 Ų104.344%0.4465%0.646SS.*  trans-83.3160.6171.4-67.2172.6000110.6S197 G198 S199 V201L195-S197 PolarHBondContact O-N 3.45Å; L195-G198 PolarHBondContact O-N 3.04Å; L195-S199 PolarHBondContact N-O 2.94Å; L195-V201 HydrophobicContact CD1-CG2 4.32Å
196P48.2Very low48.8Very low143 Ų143105.6 Ų105.693%0.92965%0.651SS**THydrogen-bonded Turntrans-58.2-12.1-178.9-27.636.6000116.2
197S58.4Low49Very low96 Ų96106.3 Ų106.367%0.67165%0.651SS**THydrogen-bonded Turntrans-87.85.6171.461.90000114.4L195 S199L195-S197 PolarHBondContact O-N 3.45Å; S197-S199 VanDerWaalsContact C-N 3.26Å; S197-S199 PolarHBondContact O-N 2.92Å
198G55Low48.8Very low55 Ų55108 Ų10857%0.56766%0.662SS**SBendtrans82.1-11.5-176.800000115.3L195L195-G198 PolarHBondContact O-N 3.04Å
199S52.4Low48.6Very low68 Ų68108 Ų10848%0.47666%0.664SS.*  trans-72.1141.3179.6-550000112.4L195 S197L195-S199 PolarHBondContact N-O 2.94Å; S197-S199 VanDerWaalsContact C-N 3.26Å; S197-S199 PolarHBondContact O-N 2.92Å
200T67Low48.1Very low79 Ų79110 Ų11049%0.48567%0.665SS.*EExtended strand (participates in β ladder)trans-111135.6-17639.90000113.3V192 V193 V194V192-T200 HydrophobicContact CG1-CG2 3.49Å; V192-T200 VanDerWaalsContact CG1-CG2 3.49Å; V193-T200 WeakPolarHBondContact O-CA 3.47Å; V194-T200 HydrophobicContact CB-CG2 4.22Å; V194-T200 HydrophobicContact CG1-CG2 4.4Å; V194-T200 HydrophobicContact CG2-CG2 3.67Å
201V51.8Low47.5Very low69 Ų69113.5 Ų113.542%0.41868%0.677SS.*EExtended strand (participates in β ladder)trans-131.5140.1-178.8-173.40000110.9V193 L195 V203V193-V201 PolarHBondContact N-O 3.32Å; V193-V201 PolarHBondContact O-N 3.41Å; L195-V201 HydrophobicContact CD1-CG2 4.32Å; V201-V203 HydrophobicContact CG1-CG2 4.1Å
202Y45.4Very low47.1Very low161 Ų161113.9 Ų113.963%0.63168%0.68SS**  trans-109.2130176.5-65.1-112000109N191 V192N191-Y202 HydrophobicContact CB-CD1 4.05Å; N191-Y202 WeakPolarHBondContact O-CA 2.8Å; N191-Y202 WeakPolarHBondContact O-CD1 3.45Å; V192-Y202 HydrophobicContact CG1-CE2 4.12Å; V192-Y202 HydrophobicContact CG2-CD1 4.41Å; V192-Y202 HydrophobicContact CG2-CE1 3.66Å; V192-Y202 HydrophobicContact CG2-CE2 4.31Å
203V51.3Low46.6Very low124 Ų124118.3 Ų118.375%0.75270%0.697SS**  trans-128.9136.4-177.4-174.20000111V201V201-V203 HydrophobicContact CG1-CG2 4.1Å
204K36.3Very low45.5Very low200 Ų200122 Ų12287%0.8771%0.706SS**  trans-117.4130.7-178.6-174.8170.5-178.6171.70109.7
205S40.7Very low45.1Very low114 Ų114123.2 Ų123.280%0.79772%0.716SS**  trans-96144.7-167.746.60000114.6
206V31.4Very low43.6Very low145 Ų145130.7 Ų130.788%0.87974%0.739SS**  trans-147.6144.7163.1-166.60000108.1
207S39Very low42.9Very low109 Ų109133.9 Ų133.976%0.76274%0.738SS**  trans-100.8164.8-173.5-52.80000114.1
208C29.7Very low42Very low130 Ų130140.2 Ų140.288%0.87875%0.747SS**  trans-139.9156.7171.3-690000111.2
209S33.6Very low41.1Very low119 Ų119148.5 Ų148.583%0.83276%0.761SS**  trans-150.3144.5178.9-55.30000114.6
210D37.4Very low40.2Very low163 Ų163155.9 Ų155.987%0.87278%0.779SS**  trans77.9158.6145-111.5116.3000126.5
211D34.6Very low38.6Very low158 Ų158156.9 Ų156.985%0.84579%0.785SS**  trans86.3151.5166.3-118.6-50.8000123.4
212D41.7Very low37.4Very low146 Ų146160.1 Ų160.178%0.78180%0.8SS**  trans-133.5-151.9-153.7-166.3-97.3000115.4
213E38.7Very low36.7Very low136 Ų136158.1 Ų158.164%0.63681%0.809SS**  trans81.187.6173.2-84.6-88.2-2700121.6
214K32.7Very low35.6Very low165 Ų165157.9 Ų157.972%0.71781%0.813SS**  trans77.3147.1132.7-107.3116.1-171162.60123.5
215P50.2Low35.2Very low123 Ų123154.1 Ų154.180%0.79981%0.812SS**  trans-102156.8-174.339.7-35000115.2
216R39.5Very low34.6Very low242 Ų242154.5 Ų154.591%0.91381%0.814SS**  trans-137136.6164.4-161.4169.6-176.4127.9-3.7112.3R218R216-R218 PolarHBondContact O-N 3.31Å
217K33.7Very low34.4Very low210 Ų210153.1 Ų153.191%0.91381%0.811SS**  trans-55.8129.6-177-61.5176.9179.4179.60112.1
218R40.7Very low34.7Very low228 Ų228153.5 Ų153.586%0.8681%0.811SS**  trans-116.8128.6163.6-105.8177.270.6167.3-1.7111.5R216 R220R216-R218 PolarHBondContact O-N 3.31Å; R218-R220 PolarHBondContact O-N 2.68Å
219R35.5Very low34.6Very low230 Ų230154.3 Ų154.387%0.86881%0.812SS**  trans-61.2119.3166.1179.5177.869.1-159.23.9108T221R219-T221 PolarHBondContact O-N 2.96Å
220R34.2Very low34.6Very low223 Ų223156.1 Ų156.184%0.84281%0.809SS**  trans-77.4103.9-177.6-164.6175.4-167.4166.53.3109.8R218R218-R220 PolarHBondContact O-N 2.68Å
221T31.7Very low34.2Very low100 Ų100155.8 Ų155.861%0.61381%0.806SS**  trans-79.3148.2152.448.50000108.5R219R219-T221 PolarHBondContact O-N 2.96Å
222N27.2Very low34.1Very low137 Ų137156.2 Ų156.273%0.73380%0.801SS**  trans-73.4158.4161.4-52.3-22.2000107.7
223S30.4Very low33.4Very low118 Ų118155.8 Ų155.883%0.82580%0.798SS**  cis-133.9175.39-60.40000111
224S28.2Very low32.9Very low119 Ų119155.6 Ų155.683%0.83281%0.806SS**  trans-85.4129.6167.7-57.60000111.3
225S27.8Very low32.7Very low122 Ų122153.8 Ų153.885%0.85381%0.809SS**  trans-148.1159.6140.662.10000108.3
226S29.2Very low31.6Very low121 Ų121156.9 Ų156.985%0.84681%0.81SS**  trans-97.5171.2-156.6-620000115.1
227S27.7Very low30.9Very low117 Ų117151.2 Ų151.282%0.81880%0.802SS**  trans-84.1-163.9-166.3-410000113.7
228P43.6Very low30.4Very low117 Ų117146.6 Ų146.676%0.7680%0.796SS**  -130.4175.5-112.338-17.5000115.6
229V28.7Very low30.4Very low146 Ų146141 Ų14189%0.88579%0.789SS**  trans-132.6138.2157.6-178.70000109
230M32.6Very low31.1Very low158 Ų158135.6 Ų135.678%0.77878%0.784SS**  trans-89.9149173.7-68.3-107.16700110.5
231L29.6Very low30.9Very low155 Ų155129.6 Ų129.681%0.81277%0.772SS**  -180118.7122-94.9161.3000113.3
232K32.1Very low30.9Very low168 Ų168129.3 Ų129.373%0.7377%0.774SS**  66.598.1129.8-126.8160-173.91720122.5
233D27.3Very low31.4Very low137 Ų137132.2 Ų132.273%0.73378%0.775SS**  65.9160.1123.4-52.8-21.9000123.8
234V29.2Very low31.3Very low131 Ų131132.7 Ų132.779%0.79477%0.768SS**  trans86.276.3162.5-159.50000119.6
235T27.5Very low31.5Very low127 Ų127133.1 Ų133.178%0.77976%0.76SS**  13.8139.8124.2-25.10000121.8
236K26.5Very low31.6Very low189 Ų189133.7 Ų133.782%0.82276%0.758SS**  118.2149.3123.9-148.4-170.8177.9-176.90118.6
237V25.3Very low31.6Very low122 Ų122133.7 Ų133.774%0.73975%0.753SS**  trans84.9129.4160-168.80000118.9
238S22.5Very low32.4Very low114 Ų114133.3 Ų133.380%0.79775%0.748SS**  trans-162.2131157.8176.80000110.9
239P41.9Very low31.6Very low109 Ų109134.4 Ų134.471%0.70875%0.752SS**  trans-122.8167.5166.634.1-19.1000114.6
240P50.3Low31.5Very low117 Ų117133 Ų13376%0.7675%0.748SS**  trans-133-141-158.438.5-16.8000114.2
241V30Very low31.3Very low97 Ų97128.8 Ų128.859%0.58875%0.746SS**  trans88135.1166.7-167.50000113.4R243V241-R243 HydrophobicContact CG1-CG 4.1Å; V241-R243 VanDerWaalsContact CG1-CZ 3.49Å
242S31.3Very low31.4Very low95 Ų95126.9 Ų126.966%0.66475%0.745SS**  -150133.653.7-56.10000113.8
243R37.3Very low31.4Very low198 Ų198125.2 Ų125.275%0.74775%0.751SS**  74.114991.4-65-171-170.9104.9-3.5114.9V241V241-R243 HydrophobicContact CG1-CG 4.1Å; V241-R243 VanDerWaalsContact CG1-CZ 3.49Å
244N29.3Very low31.3Very low127 Ų127127.8 Ų127.868%0.67976%0.756SS**  cis-163.6175.64.6-115.713.8000108.1
245I30.9Very low31.3Very low129 Ų129129.9 Ų129.966%0.66276%0.759SS**  cis-173.8143.7-39.1-169170.1000109
246T30.9Very low31.3Very low133 Ų133128.8 Ų128.882%0.81676%0.757SS**  trans-178.7146.3142.2-71.90000109.5
247V29.3Very low31.4Very low121 Ų121126.7 Ų126.773%0.73376%0.755SS**  trans-150.8164.2-177.5-136.70000108.7
248P43.3Very low31.8Very low110 Ų110127.8 Ų127.871%0.71476%0.755SS**  -155.4-17579.839.4-17.3000117.1
249V27Very low32.4Very low140 Ų140129.5 Ų129.585%0.84875%0.752SS**  trans71.6118.3166.8-174.40000115.9
250S28.1Very low32.2Very low116 Ų116132.6 Ų132.681%0.81176%0.757SS**  cis-159.9154.4-8.8-173.40000111.9
251G27.7Very low31.3Very low70 Ų70132.1 Ų132.172%0.72276%0.757SS**  trans81.657.3143.100000119.5
252S32.5Very low31.2Very low115 Ų115135 Ų13580%0.80477%0.767SS**  trans-108.2145.7155-56.30000110.8
253P32.1Very low31.2Very low132 Ų132134.2 Ų134.286%0.85777%0.766SS**  trans-112.5156.6142.534.3-29000111.4
254K25.3Very low30.9Very low191 Ų191132.7 Ų132.783%0.8377%0.773SS**  trans-125.5142.9-168.5-101.5-176.5177.9179.30112
255M28Very low31.1Very low175 Ų175131.1 Ų131.186%0.86277%0.772SS**  trans70.6165.4140.5-64.1-72.7-72.500120.8
256S27.7Very low31.3Very low105 Ų105133.3 Ų133.373%0.73478%0.784SS**  trans82.190.6158.8-154.50000119.8
257N29.1Very low31.9Very low145 Ų145132.2 Ų132.278%0.77578%0.779SS**  35.2148.996.7-142.2-0.6000120.4
258I33.2Very low32.5Very low144 Ų144131.7 Ų131.774%0.73878%0.778SS**  trans8093.5171.1-56.2177.2000116.9
259M34.6Very low31.8Very low151 Ų151133.7 Ų133.774%0.74478%0.778SS**  23.9143.4123.4-81.8176.455.500121.9
260Q39.2Very low32.4Very low173 Ų173131.7 Ų131.781%0.80876%0.762SS**  trans70.287158.4-64.7177.213.200118.4
261S30.6Very low32.6Very low107 Ų107128.6 Ų128.675%0.74874%0.74SS**  trans-16399131.1-157.20000108
262I27.4Very low32.9Very low159 Ų159130.3 Ų130.382%0.81574%0.739SS**  75.6125.495.8-66.7166.2000113.7
263A32.2Very low32.8Very low78 Ų78130.1 Ų130.165%0.64573%0.732SS**  trans-4.3128.2170.500000120.7
264N29.9Very low32.5Very low165 Ų165128.6 Ų128.688%0.88271%0.712SS**  -150.2141.1115.1-86.6-44.7000108.7
265S33.7Very low33Very low95 Ų95126.5 Ų126.566%0.66471%0.708SS**  cis-162.896.6-9.252.20000112.9
266L36Very low33.1Very low175 Ų175123 Ų12392%0.91670%0.697SS**  trans62.7166.4151.3-68.9170000120.3
267P43.5Very low33.3Very low109 Ų109127.3 Ų127.371%0.70870%0.703SS**  trans-115.9-172.8-158.545.6-35.6000114.3
268P41.8Very low33.5Very low110 Ų110126.7 Ų126.771%0.71471%0.705SS**  -152.8-178.589.240.9-22.2000116.9
269H28.5Very low33.4Very low153 Ų153127.8 Ų127.871%0.70870%0.704SS**  trans66133.8160-91.6-138.8000119.7
270L39.4Very low33.2Very low98 Ų98126.3 Ų126.351%0.51371%0.706SS.*  cis-151.5154.6-14.9-109.2-178.4000112.3
271S31.6Very low32.7Very low51 Ų51122.2 Ų122.236%0.35769%0.693SS.*  trans4146.7164.654.10000124.5S1093 A1094S271-S1093 WeakPolarHBondContact OG-CB 3.26Å; S271-A1094 WeakPolarHBondContact OG-CB 3.32Å
272P33.9Very low32.9Very low106 Ų106124.9 Ų124.969%0.68870%0.697SS**PPolyproline II helixtrans-86.7137.8-179.134.7-35.5000115.4A1094P272-A1094 WeakPolarHBondContact O-CB 3.39Å
273V31.6Very low32.9Very low110 Ų110125.4 Ų125.467%0.66770%0.696SS**PPolyproline II helixtrans-79.7144.6171.7-171.70000111.2A1094V273-A1094 HydrophobicContact CG2-CB 4.34Å
274K26.2Very low32.7Very low100 Ų100127.9 Ų127.944%0.43570%0.703SS.*PPolyproline II helixtrans-96.6127.9-172.7163.7-177166-177.60111.4V1096 T1097K274-V1096 PolarHBondContact NZ-O 3.26Å; K274-T1097 PolarHBondContact NZ-OG1 3.11Å
275I35.2Very low32.7Very low147 Ų147126.6 Ų126.675%0.75470%0.702SS**  trans-107.2124.9168.6-61.8179000109.3
276T30.4Very low32.3Very low103 Ų103127.4 Ų127.463%0.63271%0.707SS**PPolyproline II helixtrans-90.3120.8178.8-59.60000110.1
277F32.3Very low31.9Very low194 Ų194125.4 Ų125.485%0.85170%0.702SS**PPolyproline II helixtrans-82.6117.5167.8-71.9-88.3000110
278T33.3Very low31.4Very low132 Ų132126.3 Ų126.381%0.8171%0.706SS**PPolyproline II helixtrans-79.3136.1169.738.60000110.7
279K30.3Very low31.4Very low168 Ų168127.6 Ų127.673%0.7371%0.712SS**PPolyproline II helixtrans-89.2126.3-174.7172.7-173.9172.1-174.10110.4T281K279-T281 WeakPolarHBondContact CE-OG1 3.32Å; K279-T281 PolarHBondContact O-N 3.15Å; K279-T281 VanDerWaalsContact O-N 3.11Å
280P30.8Very low31.3Very low119 Ų119127.4 Ų127.477%0.77371%0.712SS**  trans-71.4102.5163.129.5-31.3000108.8
281T28.9Very low30.8Very low87 Ų87130.9 Ų130.953%0.53472%0.722SS.*  trans-88.5112.5171.3-64.50000108.6K279 Q283K279-T281 WeakPolarHBondContact CE-OG1 3.32Å; K279-T281 PolarHBondContact O-N 3.15Å; K279-T281 VanDerWaalsContact O-N 3.11Å; T281-Q283 HydrophobicContact CG2-CB 4.39Å
282I33.7Very low30.6Very low164 Ų164135 Ų13584%0.84175%0.745SS**  trans-80.8120.6162.5-61.3174.6000106.7
283Q28.8Very low30.6Very low170 Ų170136.6 Ų136.679%0.79475%0.747SS**  trans-126.7129.8172.7-170.2171.815.900109.1T281T281-Q283 HydrophobicContact CG2-CB 4.39Å
284T27.7Very low30.7Very low130 Ų130138 Ų13880%0.79875%0.749SS**  trans-85.4129.7-172-48.90000111.7
285T28.4Very low30.7Very low138 Ų138139 Ų13985%0.84776%0.763SS**  trans-134.8148.515950.30000109.9
286S26.6Very low30.4Very low111 Ų111136.5 Ų136.578%0.77676%0.755SS**  trans-106.2136.6-162.554.80000114.2
287T27.1Very low30.3Very low134 Ų134137.9 Ų137.982%0.82276%0.763SS**  trans-148.8125152.745.40000113.3
288T33.6Very low30.1Very low128 Ų128132.8 Ų132.879%0.78575%0.752SS**  trans51.6101.2137.4-43.60000119.7
289T41.2Very low30Very low137 Ų137132.6 Ų132.684%0.8475%0.753SS**  trans-67.6120165.247.70000113.4
290Q27.3Very low29.8Very low149 Ų149130.6 Ų130.670%0.69676%0.76SS**  trans-146.6123.5147.3-79.7-154.564.400112.8
291K28.1Very low29.6Very low170 Ų170131 Ų13174%0.73977%0.765SS**  trans53.178.4144.1-59.8167.6-177.2152.80118.1
292V28.2Very low29.6Very low139 Ų139129.8 Ų129.884%0.84277%0.77SS**  trans-84.7123.6134.1176.90000106.8I294V292-I294 PolarHBondContact O-N 3.03Å
293I33.7Very low29.2Very low139 Ų139131.3 Ų131.371%0.71377%0.771SS**  trans-81.2101.6180-59.6174.4000108.4V295I293-V295 HydrophobicContact CG2-CG2 4.05Å; I293-V295 PolarHBondContact O-N 3.4Å
294I32Very low29.6Very low138 Ų138129.5 Ų129.571%0.70877%0.772SS**  trans-69.8117.4154.8-53.9178.4000105.7V292 T296V292-I294 PolarHBondContact O-N 3.03Å; I294-T296 VanDerWaalsContact CG2-OG1 3.32Å; I294-T296 WeakPolarHBondContact CG2-OG1 3.28Å; I294-T296 PolarHBondContact O-N 2.99Å
295V27.9Very low30Very low123 Ų123128.7 Ų128.775%0.74577%0.768SS**  trans-75.376.2175.7-177.70000108.4I293 T297I293-V295 HydrophobicContact CG2-CG2 4.05Å; I293-V295 PolarHBondContact O-N 3.4Å; V295-T297 PolarHBondContact O-N 3.49Å
296T27.5Very low29.8Very low93 Ų93129.5 Ų129.557%0.57177%0.767SS**  trans-90100.8175.8-43.70000108.6I294 S298I294-T296 VanDerWaalsContact CG2-OG1 3.32Å; I294-T296 WeakPolarHBondContact CG2-OG1 3.28Å; I294-T296 PolarHBondContact O-N 2.99Å; T296-S298 VanDerWaalsContact CG2-OG 3.31Å; T296-S298 WeakPolarHBondContact CG2-OG 3.26Å; T296-S298 PolarHBondContact O-N 2.93Å
297T28Very low30.1Very low133 Ų133130.9 Ų130.982%0.81677%0.765SS**  trans-76.361.9169.554.20000110.6V295V295-T297 PolarHBondContact O-N 3.49Å
298S28.1Very low30.4Very low86 Ų86131.8 Ų131.860%0.60176%0.764SS**  trans-74.4131.8167.9-69.90000109.4T296T296-S298 VanDerWaalsContact CG2-OG 3.31Å; T296-S298 WeakPolarHBondContact CG2-OG 3.26Å; T296-S298 PolarHBondContact O-N 2.93Å
299P32.3Very low30Very low129 Ų129130.7 Ų130.784%0.83876%0.761SS**  trans-66136169.628.9-33.6000109.8S301P299-S301 PolarHBondContact O-N 3.42Å
300S25.8Very low29.3Very low125 Ų125134.5 Ų134.587%0.87477%0.766SS**  trans-82.7112.4177.756.60000111.4
301S27.6Very low29.3Very low127 Ų127132 Ų13289%0.88877%0.765SS**  trans-150.2131.2148.4-168.90000108.3P299P299-S301 PolarHBondContact O-N 3.42Å
302G28.3Very low29.3Very low62 Ų62132.3 Ų132.364%0.63977%0.769SS**  trans-129.5130.8-178.800000110.5
303F25.8Very low29.3Very low196 Ų196128.8 Ų128.886%0.8675%0.754SS**  trans-155136.7150-114.8-74.6000110.2
304V35.8Very low29Very low133 Ų133130.2 Ų130.281%0.80676%0.758SS**  trans-132.9130.7161.2177.70000105.7
305P35.8Very low28.6Very low112 Ų112131.5 Ų131.573%0.72777%0.766SS**  trans-107.4154150-10.229.7000112
306N25.4Very low28.5Very low155 Ų155130 Ų13083%0.82977%0.766SS**  trans-92.7177.7-178.3-165.517.4000112.1
307I31.8Very low28.4Very low140 Ų140130.4 Ų130.472%0.71878%0.779SS**  trans-86133.5-165.8-72169000114.1
308L33.7Very low28.3Very low154 Ų154128.9 Ų128.981%0.80678%0.78SS**  trans54.2151.6153.4-102.369.8000124.2
309S25.8Very low28.2Very low104 Ų104129.6 Ų129.673%0.72779%0.791SS**  trans73.7107.6144.1-67.30000121.8
310K25.7Very low27.9Very low218 Ų218128.4 Ų128.495%0.94879%0.792SS**  -147.3150.3126.8-117173.8-176.2177.40110.6
311S27.6Very low27.9Very low97 Ų97131.4 Ų131.468%0.67880%0.795SS**  trans-128.9173.9-171.464.30000112.3
312H29Very low27.8Very low176 Ų176130 Ų13082%0.81579%0.791SS**  trans70.2152.2175.1-66.579.2000117.1
313A27.3Very low27.6Very low64 Ų64135.6 Ų135.653%0.52980%0.798SS.*  cis-172.8179.4-24.600000110.1
314H27Very low27.5Very low170 Ų170134 Ų13479%0.78780%0.798SS**  trans76101.7161.7-54.6-70.7000119.8
315N23.9Very low26.9Very low165 Ų165130.9 Ų130.988%0.88279%0.792SS**  -160.1144.4106.1-90.2-30.1000108
316A26.6Very low26.5Very low91 Ų91130.7 Ų130.775%0.75279%0.793SS**  cis-158.3-173.3-19.400000108.7
317A25Very low26.6Very low102 Ų102129.8 Ų129.884%0.84379%0.793SS**  trans-58.2167.2-179.900000114.8
318A26Very low26.2Very low100 Ų100127.8 Ų127.883%0.82679%0.792SS**  cis-155.2-179.69.400000112.8
319A26Very low25.8Very low102 Ų102127.4 Ų127.484%0.84379%0.789SS**  trans-81.2158.1-172.100000117
320A26.3Very low25.8Very low104 Ų104129.7 Ų129.786%0.8679%0.793SS**  trans-148158.2147.300000109.3
321M24.9Very low25.9Very low187 Ų187125 Ų12592%0.92178%0.782SS**  trans-105.6175.1-172.6-62.1-170.5-170.600114.1
322A25.9Very low26.1Very low99 Ų99126.2 Ų126.282%0.81879%0.786SS**  trans82.2155.9154.200000118.1
323K24.3Very low26.8Very low178 Ų178121.6 Ų121.677%0.77477%0.771SS**  cis-175.8146.6-25.5176179.4174.2-178.70107.6
324L23.9Very low27.1Very low164 Ų164123.4 Ų123.486%0.85978%0.776SS**  trans66.5162.3-177.4-57.6128000113.9
325G23.6Very low27.3Very low67 Ų67122.2 Ų122.269%0.69177%0.771SS**  cis167.2147.9-12.200000113.9
326S26.1Very low27.7Very low108 Ų108121.5 Ų121.576%0.75576%0.76SS**  trans49.2127155.7-54.40000123.8
327T27.5Very low27.8Very low135 Ų135125 Ų12583%0.82876%0.76SS**  trans66.9157.9142.657.40000118.8
328S23.7Very low28Very low98 Ų98126.1 Ų126.169%0.68576%0.757SS**  cis-166.4146.532-126.40000115.6
329I25.2Very low28Very low147 Ų147127.6 Ų127.675%0.75476%0.756SS**  trans27135.5147.928.7169.9000127.5
330L26.9Very low28Very low152 Ų152128.9 Ų128.980%0.79675%0.753SS**  58.9159.1128.7-114.167.3000122.3
331T27.3Very low28.1Very low118 Ų118133 Ų13372%0.72475%0.752SS**  cis-154.1175.53.1-29.90000112.8
332T32.4Very low28.8Very low123 Ų123129.4 Ų129.476%0.75574%0.742SS**  trans-99.6-179.916762.50000112.3
333P42.3Very low28.8Very low80 Ų80130 Ų13052%0.51974%0.741SS.*  -148.8-149.971.427.70.7000116.5L797P333-L797 HydrophobicContact CB-CD1 4.15Å; P333-L797 HydrophobicContact CG-CB 3.65Å; P333-L797 HydrophobicContact CG-CD1 3.68Å; P333-L797 HydrophobicContact CG-CG 4.16Å
334T33.6Very low28.8Very low101 Ų101126.5 Ų126.562%0.6274%0.738SS**  trans-156178.9-167.360.10000118
335Q32.4Very low29.1Very low145 Ų145124.7 Ų124.768%0.67874%0.739SS**  trans89.7162.2160.7-68.8166.680.200119.6
336K32.4Very low29.5Very low151 Ų151127 Ų12766%0.65774%0.744SS**  cis-164.8153.22.4-128.9167177.5148.50116
337Q28.1Very low30Very low163 Ų163127.9 Ų127.976%0.76275%0.748SS**  trans57.5178.9154-73.1162.7-108.200119.9
338T29.4Very low30.2Very low126 Ų126126.6 Ų126.677%0.77374%0.744SS**  cis-151.1-172.49-159.90000114.4
339V26.5Very low31.1Very low132 Ų132126.7 Ų126.780%0.874%0.743SS**  trans-143.6166.4-171.2-171.40000115.1
340V25.9Very low31.3Very low129 Ų129126.7 Ų126.778%0.78274%0.744SS**  trans-151.7178-175.976.70000116.7
341F28.1Very low31.3Very low191 Ų191124.8 Ų124.884%0.83874%0.739SS**  trans-144.4-176.6-169.1-80.4-65.6000113.3
342P40.6Very low31.3Very low111 Ų111125.4 Ų125.472%0.72174%0.743SS**  cis-149.2-172.922.145.8-23.9000121.1
343S24Very low31.1Very low112 Ų112123.8 Ų123.878%0.78374%0.741SS**  trans79.9158.9155.2-68.30000121.9
344S26.1Very low30.4Very low103 Ų103125.9 Ų125.972%0.7275%0.752SS**  cis-174.2177-26.664.60000114
345S28.8Very low30.2Very low127 Ų127126.7 Ų126.789%0.88876%0.757SS**  trans84.6163.2164.680.30000121.6
346S32.2Very low30.2Very low114 Ų114126.7 Ų126.780%0.79777%0.767SS**  trans-157.2147.8-166.2178.10000113
347P36.1Very low30.2Very low127 Ų127125.6 Ų125.683%0.82577%0.773SS**  -152.1179.9110.640.3-22.3000116.8
348S32.8Very low30.3Very low108 Ų108124.3 Ų124.376%0.75578%0.776SS**  trans-101.8-176.8173.863.60000112.2
349P43.2Very low30.1Very low100 Ų100124.1 Ų124.165%0.64978%0.78SS**  cis-142.3-1698.143.4-22.9000117.5
350N28.6Very low30.3Very low148 Ų148121.9 Ų121.979%0.79177%0.77SS**  trans72.3157161.2-61.8-20.8000119.8
351T26.6Very low30.5Very low112 Ų112122 Ų12269%0.68777%0.771SS**  cis-169.2131.4-23.9-86.90000112.5
352V28.1Very low31.6Very low131 Ų131118 Ų11879%0.79476%0.764SS**  trans54.6129.9167.677.20000125.7
353A27.1Very low31Very low88 Ų88118 Ų11873%0.72777%0.767SS**  trans64.4160.6132.100000120.9
354V27.7Very low31.4Very low124 Ų124119.1 Ų119.175%0.75277%0.769SS**  cis-149.7158.622.3-147.80000113.9
355T30.2Very low31.7Very low118 Ų118120.8 Ų120.872%0.72477%0.774SS**  trans63118.3153.534.80000121.8
356T32.7Very low31.4Very low145 Ų145123.5 Ų123.589%0.8978%0.775SS**  trans-128.8152.8132.151.20000109.2
357V30.7Very low31.2Very low128 Ų128123.8 Ų123.878%0.77678%0.778SS**  trans-123.6144.6-178.8-73.20000111.8
358V31.1Very low31.1Very low136 Ų136123.3 Ų123.382%0.82477%0.773SS**  trans18.7117154.1-1740000117.8
359S26Very low30.9Very low122 Ų122125.3 Ų125.385%0.85378%0.78SS**  trans-148.5155.1136.6-164.30000110.8
360S30.1Very low30.2Very low86 Ų86125 Ų12560%0.60179%0.786SS**  trans-153.1-178.4-177.460.40000110.5
361T30.5Very low30.9Very low130 Ų130123.5 Ų123.580%0.79878%0.784SS**  trans82.9167.3171.986.40000115.2
362P50.5Low30.9Very low107 Ų107123.5 Ų123.570%0.69579%0.789SS**  -143.6-171.2-102.136.5-12.7000115.3
363S27.2Very low31.2Very low112 Ų112122.4 Ų122.478%0.78379%0.787SS**  152.8160.8121.2-67.20000114.9
364V33.5Very low31.5Very low136 Ų136123.5 Ų123.582%0.82480%0.796SS**  trans-124144.3178.8169.70000108.8
365V31.1Very low31.6Very low137 Ų137120.7 Ų120.783%0.8379%0.792SS**  trans-169.4137144.7-101.70000112.7
366M24.4Very low31.5Very low184 Ų184122.4 Ų122.491%0.90680%0.802SS**  -159.1123.2112.3-116.4-164.3179.700112.8
367S26.4Very low31.3Very low121 Ų121124.4 Ų124.485%0.84680%0.798SS**  trans-161150.9154.2-172.50000107.7
368T34.2Very low31.3Very low117 Ų117124.7 Ų124.772%0.71880%0.8SS**  trans-127.2116.4-153.6-51.80000113.4
369V29Very low31Very low150 Ų150122.4 Ų122.491%0.90980%0.795SS**  trans-157150.4158.5-105.20000110.4
370A28.6Very low31.1Very low93 Ų93122 Ų12277%0.76979%0.792SS**  trans-162.5176-176.200000109.9
371P42.6Very low31Very low116 Ų116122.1 Ų122.175%0.75380%0.799SS**  cis-132.2-163.6-10.738.2-19000114
372S27.5Very low31Very low113 Ų113127.8 Ų127.879%0.7981%0.805SS**  trans87.5142.416479.20000119.3
373S33.3Very low30.2Very low108 Ų108130.4 Ų130.476%0.75581%0.813SS**  cis-168.6147.7-18.650.90000113.9
374A33.5Very low30.6Very low110 Ų110131 Ų13191%0.90981%0.814SS**  trans66.9152.5164.700000119.3
375G30.8Very low30.3Very low66 Ų66129.4 Ų129.468%0.6881%0.809SS**  cis163.2149.9-13.100000115.7
376V28.6Very low30.6Very low153 Ų153128.1 Ų128.193%0.92780%0.803SS**  trans76.2152.3169.3-168.30000116.9
377K27.6Very low30.7Very low188 Ų188128.3 Ų128.382%0.81780%0.799SS**  178170.6-63.3-179.6169.3179.6-179.20108.9
378V30Very low30.8Very low133 Ų133128.6 Ų128.681%0.80680%0.796SS**  trans96.2136.3165.2-177.70000115.6
379A26Very low30.7Very low88 Ų88131.3 Ų131.373%0.72781%0.805SS**  cis-170.7171.5-25.700000112.8
380S27.1Very low30.6Very low113 Ų113129.6 Ų129.679%0.7980%0.795SS**  trans93.498137.1-1580000123.2
381A28.9Very low30.7Very low89 Ų89127.7 Ų127.774%0.73678%0.784SS**  33.2136.4125.600000125.3
382R30.1Very low30.1Very low249 Ų249128 Ų12894%0.9479%0.789SS**  trans88.6146.5137.9-95.8-175.2173-169.3-2.6123
383L33.1Very low30.8Very low163 Ų163128.5 Ų128.585%0.85379%0.79SS**  trans-66.8172.6175.2-57.4167.2000112.4
384P36.4Very low30.5Very low125 Ų125129.5 Ų129.581%0.81279%0.792SS**  cis-145.9-162.723.544-22000117.4
385S26.3Very low30.3Very low102 Ų102132.1 Ų132.171%0.71379%0.785SS**  trans-87.7-179.4172.360.20000113.3
386P38.3Very low30.3Very low110 Ų110135.1 Ų135.171%0.71478%0.784SS**  cis-140.9173.14.543.7-25.4000118.6
387K26.3Very low30.5Very low188 Ų188133.9 Ų133.982%0.81777%0.772SS**  trans55121.8145.3-76.3-178177.6-178.70124.3
388T29.6Very low30.8Very low126 Ų126129.9 Ų129.977%0.77377%0.773SS**  trans80.2125.9132.253.50000124.8
389L30.4Very low31Very low174 Ų174129.9 Ų129.991%0.91177%0.765SS**  trans83.4149.6147.8-12873.8000121.7
390V28.8Very low31.1Very low114 Ų114134 Ų13469%0.69177%0.766SS**  trans-111.7150.9179179.30000107.4F1184V390-F1184 HydrophobicContact CG1-CZ 4.33Å
391G30.4Very low31.8Very low54 Ų54133.7 Ų133.756%0.55776%0.762SS**  cis164.1-177.7-2.600000110.9
392S29.7Very low31.6Very low122 Ų122138.2 Ų138.285%0.85377%0.765SS**  trans69.8166-173.890.30000113.8
393P40.8Very low31.6Very low124 Ų124132.8 Ų132.881%0.80575%0.75SS**  cis-132.2-161.326.944.2-26.1000116.4
394T28.4Very low31.3Very low129 Ų129132.6 Ų132.679%0.79175%0.745SS**  trans-105.7174.8-168.5-44.70000112.9
395Q29.1Very low30.9Very low164 Ų164132 Ų13277%0.76674%0.744SS**  trans103.3152.5158.9-62.1-148.660.100118.6
396I31.5Very low31.6Very low130 Ų130133.3 Ų133.367%0.66775%0.75SS**  cis-167.6161.3-38.2-127.4167.9000110.5
397L32.6Very low31.8Very low127 Ų127137.2 Ų137.267%0.66576%0.755SS**  trans47.2132.2163.4-102.255.1000123.9Q399L397-Q399 HydrophobicContact CG-CG 4.33Å
398A32.9Very low32.4Very low103 Ų103136.3 Ų136.385%0.85175%0.754SS**  -145.1163.4126.100000108.8
399Q33.7Very low33Very low133 Ų133137.4 Ų137.462%0.62175%0.754SS**  trans-147.4150.9-153.7-104.2-178.57.800117.5L397L397-Q399 HydrophobicContact CG-CG 4.33Å
400F28.8Very low33.6Very low174 Ų174137.5 Ų137.576%0.76375%0.75SS**  trans68165.4154.1-76.7-53.1000118.2
401P41.5Very low34.6Very low108 Ų108139.5 Ų139.570%0.70175%0.752SS**  cis-135.4160.917.242.4-25.2000119.7
402K25.1Very low35.2Very low183 Ų183142.1 Ų142.180%0.79676%0.762SS**  trans51.9162.7141.3-68.9-178.5176.6-179.80122.4
403Q29.1Very low35.5Very low136 Ų136141.6 Ų141.664%0.63676%0.758SS**  cis-172.7115.7-33.2-179.4170.9-4.200112
404Q27.8Very low36.1Very low159 Ų159141 Ų14174%0.74375%0.754SS**  trans58.7142.9152.4-63.7174.3-83.800124.7
405S27Very low36.5Very low113 Ų113143.3 Ų143.379%0.7976%0.761SS**  trans81.1160.7149.783.30000119.8
406P41.9Very low36.8Very low128 Ų128138.8 Ų138.883%0.83176%0.758SS**  cis-119.9-151.3-14.936.7-18.8000112.4
407K42.4Very low36.9Very low192 Ų192137.8 Ų137.884%0.83577%0.769SS**  trans-82.9143.9177.3-68177.9176.9177.20112.2
408Q40Very low36.8Very low170 Ų170137.4 Ų137.479%0.79478%0.777SS**  trans65.1133.2165.7-79.3176.2-106.900116.3
409L42.3Very low36.7Very low148 Ų148137.2 Ų137.278%0.77577%0.769SS**  cis-141.4137.1-2.8-59.295.5000111.2
410Q42.4Very low36.7Very low176 Ų176138.7 Ų138.782%0.82278%0.78SS**  trans70.8168.1167.5-68.1-159.192.900120.6
411Q49.1Very low36.9Very low157 Ų157135 Ų13573%0.73478%0.776SS**  cis-174.5148.4-39.6-178.6141.1-118.800113.8
412S44Very low36.4Very low108 Ų108137.8 Ų137.876%0.75578%0.78SS**  trans84.8144.4160.180.20000123.1
413S34.3Very low36.5Very low112 Ų112134.1 Ų134.178%0.78378%0.777SS**  trans77-173.2156.7-49.40000120.4
414P54.9Low36.3Very low111 Ų111135.7 Ų135.772%0.72178%0.784SS**  -136.4-175.2-96.943-24.2000119.5
415L36.8Very low36.3Very low178 Ų178133 Ų13393%0.93278%0.783SS**  trans77.8166.2166.2-56.3178.3000119.4
416G34.7Very low36.2Very low68 Ų68132.8 Ų132.870%0.70178%0.782SS**  cis177.9-170-2.700000115.8
417A34.2Very low35.4Very low109 Ų109131.2 Ų131.290%0.90177%0.773SS**  trans72.8172174.700000118.7
418S29.8Very low34.6Very low120 Ų120128.2 Ų128.284%0.83977%0.771SS**  cis-157.5-175.62.8-159.30000113.4
419S31.7Very low33.9Very low98 Ų98126.5 Ų126.569%0.68577%0.773SS**  trans-163.6-162.8176.575.20000116.4
420I33.6Very low34.4Very low164 Ų164125.1 Ų125.184%0.84177%0.773SS**  trans74.7149.3167.2-79.9170000115.4
421S32.2Very low34.1Very low96 Ų96122.9 Ų122.967%0.67177%0.773SS**  cis-124-161.713.362.80000112
422Q31Very low33.2Very low168 Ų168118.3 Ų118.379%0.78577%0.769SS**  cis-147.8-148.110-139.3-1648600109.2
423S27.2Very low32.4Very low106 Ų106119.6 Ų119.674%0.74177%0.772SS**  cis-139.8-111.610.360.90000114.6
424Q25.9Very low32.1Very low168 Ų168123.7 Ų123.779%0.78578%0.776SS**  trans-138.8153.7-165.4-81.2-167.2-7.900118.3
425S26.5Very low31.4Very low102 Ų102123.4 Ų123.471%0.71377%0.774SS**  trans70.797.4153.967.10000122.4
426S24.8Very low31.3Very low110 Ų110120.3 Ų120.377%0.76976%0.762SS**  63148.6123600000122.8
427S24.7Very low31.1Very low94 Ų94123.4 Ų123.466%0.65776%0.762SS**  cis-175.2175.6-18.555.90000111.5
428T25.7Very low30.9Very low129 Ų129125.3 Ų125.379%0.79175%0.752SS**  trans71.4164.3149.541.60000119.9
429T26.4Very low31.1Very low134 Ų134126.6 Ų126.682%0.82275%0.748SS**  trans-134.4163.9-152.540.10000113.7
430P51.7Low31Very low119 Ų119129.2 Ų129.277%0.77375%0.747SS**  trans-112.8141.8-165.638.4-29.6000116.7
431P37.4Very low31.2Very low129 Ų129129.6 Ų129.684%0.83875%0.745SS**  trans-88.7173.5156.836.6-33.3000111.6
432G28.9Very low31.4Very low62 Ų62130.9 Ų130.964%0.63974%0.74SS**  cis163.5110.2-8.800000114.2
433T28.8Very low31.7Very low134 Ų134128.4 Ų128.482%0.82274%0.742SS**  trans37.2128.3141.759.30000122.6
434K27.7Very low32.1Very low198 Ų198126.1 Ų126.186%0.86174%0.735SS**  162.7159.9121.4-91.8178.7178.3-178.90111.6
435P40.2Very low32.5Very low105 Ų105124.5 Ų124.568%0.68274%0.736SS**  cis-137.9-154.2-43.239.1-19.5000112
436T34.1Very low32.7Very low113 Ų113128.2 Ų128.269%0.69374%0.739SS**  trans84.3100.9163.8-490000115.4
437I30.9Very low33.1Very low133 Ų133129.1 Ų129.168%0.68273%0.734SS**  86124.254.6-66.9166.7000111.2
438Q30.5Very low33.5Very low149 Ų149130.4 Ų130.470%0.69673%0.732SS**  cis-172.6175.4-9.9-123.9169.22300110.7
439I34.2Very low33.9Very low147 Ų147130.7 Ų130.775%0.75473%0.734SS**  trans69.9135.5151.9-74.4161.2000116.4
440K29.1Very low33.9Very low153 Ų153131.3 Ų131.367%0.66573%0.728SS**  cis-152.7168.9-10.3170172.3179.3-65.80110.4E442K440-E442 WeakPolarHBondContact CE-OE2 3.37Å; K440-E442 IonicContact NZ-OE1 2.68Å; K440-E442 PolarHBondContact NZ-OE1 3.09Å; K440-E442 IonicContact NZ-OE2 2.68Å; K440-E442 PolarHBondContact NZ-OE2 3.49Å
441Q38.2Very low32.8Very low172 Ų172133.8 Ų133.880%0.80473%0.729SS**  trans-76.3-161.5178-50.2163.51.500109.9
442E35.3Very low32.4Very low123 Ų123133.4 Ų133.458%0.57572%0.724SS**  cis-156.1171.38.149.5-95.6-157.600107.4K440K440-E442 WeakPolarHBondContact CE-OE2 3.37Å; K440-E442 IonicContact NZ-OE1 2.68Å; K440-E442 PolarHBondContact NZ-OE1 3.09Å; K440-E442 IonicContact NZ-OE2 2.68Å; K440-E442 PolarHBondContact NZ-OE2 3.49Å
443S38Very low32.6Very low117 Ų117138.7 Ų138.782%0.81873%0.732SS**  cis-156.1-173.77.3-136.70000108.2
444G35.7Very low33.1Very low57 Ų57137.3 Ų137.359%0.58873%0.725SS**  cis170.4171.4-300000113.5
445V32.9Very low33.1Very low134 Ų134132.4 Ų132.481%0.81272%0.716SS**  trans61.8111.4153.9-173.40000118
446K31.7Very low32.5Very low181 Ų181136.7 Ų136.779%0.78772%0.724SS**  77.5147.457.2-77.3-163.7175.71790115.7
447I33Very low32.5Very low128 Ų128139 Ų13966%0.65673%0.73SS**  cis-166.9152.9-26.1-134.7176.1000111
448I32.9Very low32.7Very low121 Ų121139.6 Ų139.662%0.62173%0.734SS**  trans16.7129.9152.3-56.6154.3000121.2Q450I448-Q450 HydrophobicContact CG2-CB 4.28Å
449T33.7Very low32.8Very low135 Ų135137.9 Ų137.983%0.82874%0.736SS**  -168.1131118.8270000108.4
450Q27.8Very low32.8Very low148 Ų148139.7 Ų139.769%0.69274%0.739SS**  cis85.5131.133.9-163.2-173.2115.700114.3I448I448-Q450 HydrophobicContact CG2-CB 4.28Å
451Q28.2Very low32.8Very low170 Ų170137.7 Ų137.779%0.79474%0.741SS**  trans68.7158.2169.5-98174.4-6.800114.6
452V29.4Very low32.2Very low121 Ų121134.3 Ų134.373%0.73374%0.736SS**  cis-137.1153.114.3-177.10000110.3
453Q33.1Very low31.7Very low173 Ų173133.5 Ų133.581%0.80874%0.744SS**  trans-111.4135.8156.8-163.4-164.482.700108.1
454P39.3Very low31.1Very low105 Ų105133.5 Ų133.568%0.68274%0.739SS**  -148.8141.6118.435.8-18.2000115.6
455S27.4Very low30.7Very low96 Ų96134.6 Ų134.667%0.67174%0.742SS**  32149.1125-48.60000123.2
456K26.5Very low30.7Very low195 Ų195135.9 Ų135.985%0.84874%0.744SS**  109.7153128.4-138.9176-169.3179.60116.2
457I34.1Very low30.3Very low161 Ų161132.7 Ų132.783%0.82674%0.744SS**  trans84.6116168.7-56.1164.6000115.6
458L35.4Very low30Very low145 Ų145131.5 Ų131.576%0.75975%0.747SS**  trans-77.2156.5170.2-14574.2000109.2
459P33.3Very low29.6Very low113 Ų113131.7 Ų131.773%0.73476%0.759SS**  -142.1164.78937.8-24.3000114.9
460K33.7Very low29.5Very low186 Ų186131 Ų13181%0.80976%0.761SS**  trans-105.5133.6155.2-71.3-174.3176.5-1750108.3
461P30.1Very low29.8Very low110 Ų110128.8 Ų128.871%0.71476%0.761SS**  -120.9146.7114.934.2-30.4000109.7
462S25.5Very low29.6Very low101 Ų101123.8 Ų123.871%0.70675%0.745SS**  cis67.8102.517-163.60000115.6
463S24.2Very low29.6Very low106 Ų106124.1 Ų124.174%0.74175%0.75SS**  trans62.7165.5173.568.30000114.2
464V24.8Very low29.9Very low118 Ų118121.6 Ų121.672%0.71574%0.74SS**  cis-132121.55.9165.80000104.6
465A28.2Very low29.3Very low79 Ų79124.1 Ų124.165%0.65375%0.745SS**  60150.16900000114.3
466L32.3Very low29Very low161 Ų161123.7 Ų123.784%0.84374%0.738SS**  trans57.682.5166-49.8-177000117.9
467S23.8Very low29.4Very low114 Ų114120.6 Ų120.680%0.79774%0.735SS**  trans-136.5117.3132.3-84.40000107.3
468S25.4Very low28.9Very low103 Ų103117.4 Ų117.472%0.7273%0.727SS**  79.898.876.7-65.60000111.5
469S25Very low28.4Very low125 Ų125114.2 Ų114.287%0.87472%0.717SS**  46.693.3124-49.10000117.9
470S31.9Very low28.4Very low122 Ų122116.3 Ų116.385%0.85372%0.722SS**  -149.1156.3122.9-161.80000112
471S34.3Very low28.9Very low100 Ų100110 Ų11070%0.69971%0.71SS**  trans-11.1112175.9-165.30000118.1
472S24.9Very low28.9Very low65 Ų65108.9 Ų108.946%0.45570%0.701SS.*  34.413596.7-690000119I474S472-I474 VanDerWaalsContact CB-C 3.45Å; S472-I474 WeakPolarHBondContact CB-O 3.21Å; S472-I474 VanDerWaalsContact OG-C 3.29Å; S472-I474 PolarHBondContact OG-N 3.47Å; S472-I474 PolarHBondContact OG-O 2.88Å
473P29.5Very low29.5Very low129 Ų129109.9 Ų109.984%0.83870%0.697SS**SBend-103.371.279.431.8-37.9000115.1M475P473-M475 VanDerWaalsContact C-N 3.32Å
474I38.6Very low30.4Very low119 Ų119113.9 Ų113.961%0.6171%0.707SS**  -9866.2127.3-53.8168.8000104.6S472 V476S472-I474 VanDerWaalsContact CB-C 3.45Å; S472-I474 WeakPolarHBondContact CB-O 3.21Å; S472-I474 VanDerWaalsContact OG-C 3.29Å; S472-I474 PolarHBondContact OG-N 3.47Å; S472-I474 PolarHBondContact OG-O 2.88Å; I474-V476 WeakPolarHBondContact O-CG2 3.27Å
475M25.4Very low31.6Very low159 Ų159112.9 Ų112.978%0.78370%0.701SS**  -52.1115.594.1-81.8-58.8-62.200116.4P473P473-M475 VanDerWaalsContact C-N 3.32Å
476V21.9Very low32.3Very low86 Ų86114 Ų11452%0.52170%0.7SS.*  cis-160.3152.8-38.21210000107I474 S478I474-V476 WeakPolarHBondContact O-CG2 3.27Å; V476-S478 PolarHBondContact O-N 3.44Å
477V35.2Very low32.7Very low131 Ų131115 Ų11579%0.79470%0.698SS**  trans-70.383.8162.5179.80000109
478S22.9Very low33.4Very low93 Ų93117.6 Ų117.665%0.6570%0.702SS**  trans-96.881.4151.7-165.20000104V476V476-S478 PolarHBondContact O-N 3.44Å
479S25.8Very low33.8Very low78 Ų78119.3 Ų119.355%0.54571%0.708SS.*  74162.586.876.30000111.4G481S479-G481 PolarHBondContact O-N 3.17Å
480N32.1Very low34.2Very low157 Ų157119.8 Ų119.884%0.8471%0.705SS**SBendtrans-52.5139.5165.7-80.1-16.2000108.9
481G44.4Very low34.1Very low55 Ų55122.6 Ų122.657%0.56771%0.705SS**  trans-56.2146-16800000112.1S479 I483S479-G481 PolarHBondContact O-N 3.17Å; G481-I483 WeakPolarHBondContact O-CD1 3.43Å; G481-I483 VanDerWaalsContact O-CG1 3.24Å; G481-I483 WeakPolarHBondContact O-CG1 3.46Å
482T31.5Very low34.5Very low85 Ų85122.5 Ų122.552%0.52170%0.702SS.*  trans-117.383.5154.7-53.40000104.2
483I37.5Very low34.8Very low122 Ų122126.1 Ų126.163%0.62672%0.722SS**  58.5137.582-51.8157.9000109.2G481 T485G481-I483 WeakPolarHBondContact O-CD1 3.43Å; G481-I483 VanDerWaalsContact O-CG1 3.24Å; G481-I483 WeakPolarHBondContact O-CG1 3.46Å; I483-T485 WeakPolarHBondContact CG2-OG1 3.33Å; I483-T485 PolarHBondContact O-N 2.64Å
484M43.3Very low34.9Very low191 Ų191124.4 Ų124.494%0.94172%0.718SS**SBendtrans-65.672.2151.7-76.7-165.467.700108.9
485T49.2Very low34.5Very low97 Ų97125.4 Ų125.460%0.59573%0.73SS**SBendtrans153.596.1167.840.30000114.9I483I483-T485 WeakPolarHBondContact CG2-OG1 3.33Å; I483-T485 PolarHBondContact O-N 2.64Å
486T43.8Very low34.7Very low103 Ų103127.3 Ų127.363%0.63274%0.737SS**  72.1113.9129.357.30000127.6
487K40.3Very low35.2Very low182 Ų182127.8 Ų127.879%0.79175%0.75SS**  95118.3124.7-70.3177.2176.9-176.50127.1
488L37.9Very low34.8Very low168 Ų168128.4 Ų128.488%0.8875%0.754SS**  trans77.4160.5133.8-109.667.8000127.3
489V35.1Very low35Very low139 Ų139133.9 Ų133.984%0.84276%0.762SS**  trans116.3150.4160.1-177.40000121.5
490T33.3Very low35.2Very low135 Ų135135 Ų13583%0.82877%0.766SS**  trans-162.3174.3-170.6-8.30000119.9
491Q29.1Very low34.7Very low181 Ų181138 Ų13885%0.84677%0.765SS**  trans80.9173.4161.4-91.3-157.5-24.400122.7
492P42.2Very low34.3Very low98 Ų98139.8 Ų139.864%0.63677%0.767SS**  cis-148.1173-46.344.4-25.6000121.2
493T30.8Very low34.1Very low141 Ų141141.1 Ų141.187%0.86578%0.775SS**  trans70.8133.1144.4-59.50000128.2
494A32.5Very low33.6Very low93 Ų93141.4 Ų141.477%0.76978%0.783SS**  trans-171.5157.7161.800000117.7
495T31.4Very low32.9Very low140 Ų140134.6 Ų134.686%0.85976%0.761SS**  trans-165.4162.9-178.734.40000121.3
496Q29.4Very low32.8Very low198 Ų198133.3 Ų133.393%0.92575%0.754SS**  trans74145.1156.7-63.5-142.282.400126.3
497A31.9Very low32.2Very low97 Ų97134.4 Ų134.480%0.80276%0.756SS**  trans177.4155.6160.300000115.7
498T26.5Very low31.9Very low144 Ų144130.3 Ų130.388%0.88374%0.742SS**  trans-175.6156.6173-98.60000121.1
499Y26.7Very low31.8Very low208 Ų208124.4 Ų124.482%0.81672%0.722SS**  trans87.6135.6156.9-127.5-133.7000126.8
500T30.3Very low31.7Very low100 Ų100120.1 Ų120.161%0.61370%0.701SS**  trans46.2137.514946.90000129.4
501R22.2Very low31.8Very low220 Ų220121 Ų12183%0.8369%0.689SS**  30.4167.1125.5-98.9-168.3176-104.41.9122.7
502P36.3Very low32Very low93 Ų93118.6 Ų118.660%0.60468%0.681SS**  cis-146.9-176-18.441.1-20.4000118.5
503T26.3Very low31.3Very low113 Ų113119.3 Ų119.369%0.69369%0.689SS**  trans86.6115.5134.8-77.80000124.7
504V26.9Very low31.2Very low129 Ų129117.5 Ų117.578%0.78269%0.688SS**  trans39.1149.2158-106.10000125.9
505G29.8Very low30.9Very low48 Ų48118.6 Ų118.650%0.49569%0.69SS.*  trans153.2135.5141.600000119.2T580G505-T580 PolarHBondContact O-OG1 3.24Å
506P46.1Very low30.6Very low69 Ų69117.9 Ų117.945%0.44869%0.69SS.*  trans-122.7142.4171.538.7-27.4000117T580 I581P506-T580 WeakPolarHBondContact CA-OG1 3.42Å; P506-T580 HydrophobicContact CB-CG2 4.42Å; P506-T580 WeakPolarHBondContact CB-OG1 3.35Å; P506-I581 HydrophobicContact CB-CG2 4.22Å
507N30.6Very low30.5Very low126 Ų126111.9 Ų111.967%0.67468%0.682SS**  trans162.1145.5146.1-83.1-12.9000114.8
508I35.4Very low30.3Very low96 Ų96110.4 Ų110.449%0.49268%0.676SS.*  cis-158141.6-18.2-94.6166.2000110.1I581 Q582I508-I581 HydrophobicContact CG1-CG2 3.91Å; I508-Q582 HydrophobicContact CG1-CB 4.17Å
509G34.5Very low30.3Very low45 Ų45109.6 Ų109.646%0.46467%0.671SS.*  trans94.5166.3152.600000119.1Q582G509-Q582 WeakPolarHBondContact CA-O 3.4Å; G509-Q582 PolarHBondContact N-O 3.44Å
510A34.5Very low30.2Very low49 Ų49104.8 Ų104.841%0.40566%0.664SS.*  cis-172.3158.9-2200000112.9G583A510-G583 WeakPolarHBondContact CA-O 3.42Å
511R35.1Very low29.8Very low152 Ų152110.2 Ų110.257%0.57467%0.674SS**  trans65120.3143.175.6-171.6163.8-117.7-11.8125.3P585R511-P585 WeakPolarHBondContact CD-O 3.43Å; R511-P585 PolarHBondContact NH1-O 1.81Å
512I32.2Very low29.9Very low132 Ų132105.4 Ų105.468%0.67767%0.669SS**  trans75.9137.2131.470.9-178.5000125.2
513S27.6Very low29.3Very low113 Ų113109.7 Ų109.779%0.7968%0.678SS**  trans-90.4162.8179.5166.40000113.5
514A28.2Very low29.5Very low102 Ų102110.1 Ų110.184%0.84368%0.681SS**  trans-147.9164.1146.400000110.2
515S26.8Very low29.6Very low117 Ų117109.8 Ų109.882%0.81868%0.679SS**  trans-131.4162.5-169.5-179.20000112.7
516S25.5Very low29.6Very low124 Ų124113.1 Ų113.187%0.86770%0.695SS**  trans128.9147.3137.5-163.40000116.5
517G26.9Very low28.8Very low72 Ų72113.6 Ų113.674%0.74271%0.713SS**  trans124.4135.7153.900000117
518G28.1Very low28.6Very low66 Ų66113 Ų11368%0.6872%0.718SS**  trans7984.1166.200000115.4
519T25.4Very low28.5Very low128 Ų128115.7 Ų115.779%0.78573%0.732SS**  65.7145.268.776.90000116.9
520T25.3Very low28.1Very low107 Ų107121 Ų12166%0.65675%0.748SS**  trans75.9112.3148.938.60000122.3
521Y22.1Very low28.2Very low213 Ų213124.9 Ų124.984%0.83577%0.767SS**  93.9133.9127.6-82.1-51000124
522V24.6Very low27.8Very low119 Ų119123.8 Ų123.872%0.72178%0.777SS**  trans74.397.4147.2178.10000119.3
523K24.3Very low27.6Very low183 Ų183123.4 Ų123.480%0.79678%0.781SS**  61.1157.6115.2-153.5-178.8177.4-179.10120.1
524T29Very low28.2Very low122 Ų122123.8 Ų123.875%0.74878%0.78SS**  trans76128.2176.167.80000113.4
525T30.5Very low28.1Very low122 Ų122128.1 Ų128.175%0.74878%0.78SS**  cis114107.328.4-73.80000108.1
526S29Very low28.1Very low118 Ų118127.8 Ų127.883%0.82578%0.778SS**  trans41.810216561.40000118.4
527G29.4Very low28.4Very low80 Ų80129.5 Ų129.583%0.82578%0.777SS**  trans-140.9126.5163.200000110.6
528S26.5Very low28.8Very low113 Ų113129.9 Ų129.979%0.7977%0.773SS**  trans-88143.5-177.4-62.70000112.5
529I32.8Very low29.2Very low152 Ų152132.2 Ų132.278%0.77977%0.774SS**  trans59.4115.5156.5-56.4156.4000116.2
530I27.5Very low29.8Very low156 Ų156133.8 Ų133.880%0.878%0.776SS**  trans-148131.8142.3-102.2149.3000108.2V532I530-V532 HydrophobicContact CG2-CG2 3.72Å
531T35Very low30.4Very low132 Ų132131.9 Ų131.981%0.8178%0.778SS**  trans-93.7123.7171.347.20000109.7
532V28.3Very low31.7Very low129 Ų129125.1 Ų125.178%0.78277%0.774SS**  trans-141.9131.5165.9-106.80000114.4I530I530-V532 HydrophobicContact CG2-CG2 3.72Å
533V27.8Very low32.9Very low124 Ų124129.6 Ų129.675%0.75278%0.783SS**  trans-26.5135.4162.1-177.90000115.4
534P38.7Very low33.5Very low121 Ų121128.2 Ų128.279%0.78678%0.783SS**  trans-80.1148.9174.733.8-35.8000113
535K26.4Very low34.1Very low193 Ų193129.7 Ų129.784%0.83979%0.785SS**  trans-161.2109.9167.2-119.5167.8-176.2172.80113.1
536S27.7Very low34.4Very low110 Ų110129 Ų12977%0.76979%0.785SS**  trans49.8151.3144.7-52.30000120.3
537L31.1Very low35Very low160 Ų160128.2 Ų128.284%0.83878%0.779SS**  cis-159.1172.418.4-157.981.9000110
538A35.8Very low35.2Very low80 Ų80131.2 Ų131.266%0.66178%0.777SS**  trans-79.7-166.7175.900000113.1
539T37Very low35.6Very low114 Ų114132.3 Ų132.370%0.69977%0.772SS**  cis-176.3160.234.2-18.50000112.1
540L37.8Very low35.4Very low161 Ų161131.4 Ų131.484%0.84377%0.773SS**  trans47.8151.3141.8-115.258.7000120.8
541G37.7Very low35.5Very low68 Ų68129.5 Ų129.570%0.70177%0.774SS**  cis82.8133.324.300000112
542G49Very low35.3Very low71 Ų71125.9 Ų125.973%0.73276%0.763SS**  cis164.1-174.4-1.200000109.7
543K49.9Very low35.7Very low212 Ų212126.1 Ų126.192%0.92277%0.765SS**  trans69.2161.7163.5-59.3-174.1177.3-1760122
544I37.7Very low36Very low155 Ų155125.9 Ų125.980%0.79576%0.764SS**  trans-155.7171.4158.953.3170.7000106.3
545I41.5Very low35.7Very low153 Ų153125.2 Ų125.279%0.78576%0.758SS**  cis-167.2152.1-16-108.2169.9000105.9
546S37.2Very low35.7Very low107 Ų107124.9 Ų124.975%0.74876%0.756SS**  cis-152.1-70-16.855.60000113.6
547S41.1Very low35.6Very low102 Ų102126 Ų12671%0.71375%0.752SS**  trans-141.3-159.7-168.9-55.90000111.3
548N32.4Very low35.7Very low143 Ų143124.5 Ų124.577%0.76575%0.75SS**  cis-166.8-170.811.8-145.6-2.6000108.2
549I36.1Very low35.5Very low135 Ų135126.5 Ų126.569%0.69275%0.754SS**  cis-152174.7-3.5-16.5152.6000109
550V28.3Very low35.3Very low134 Ų134127.1 Ų127.181%0.81275%0.752SS**  trans65.2141.8150.8170.20000121.2
551S29.5Very low35.1Very low115 Ų115124.3 Ų124.380%0.80474%0.743SS**  178.3144.9-58.5179.60000111.6
552G30.7Very low34.6Very low56 Ų56125.6 Ų125.658%0.57773%0.732SS**  trans137.396166.900000114
553T36.2Very low33.7Very low134 Ų134125.1 Ų125.182%0.82272%0.715SS**  67.7138.976.863.30000115.4
554T33.8Very low32.7Very low119 Ų119119.7 Ų119.773%0.7370%0.704SS**  cis-179.6164.5-8.6-165.90000107.5
555T33.4Very low32.5Very low108 Ų108121.2 Ų121.266%0.66371%0.705SS**  cis-163.6169.66.6-17.30000110.2
556K26.7Very low32.4Very low185 Ų185118 Ų11880%0.80469%0.693SS**  trans69.8150.9155.6-74-174.2174-177.30117.9
557I25.7Very low32Very low134 Ų134119.6 Ų119.669%0.68769%0.694SS**  cis-162.9155.5-18.3-117.2170000107.5
558T32.8Very low31.4Very low128 Ų128121.8 Ų121.879%0.78570%0.703SS**  trans72146.2166.3-89.10000116.9
559T31.1Very low31.4Very low122 Ų122120.6 Ų120.675%0.74870%0.695SS**  cis-163.3-174.8-21.4-162.60000111.8
560I32.3Very low30.9Very low128 Ų128119.6 Ų119.666%0.65670%0.695SS**  trans-83.2161.618014.3174.9000112.9
561P33.8Very low30.9Very low102 Ų102118.4 Ų118.466%0.66269%0.687SS**  cis-144.8179.944.543.4-23.4000119.1S1176 G1177P561-S1176 CarbonylContact C-O 3.43Å; P561-G1177 VanDerWaalsContact O-CA 3.29Å; P561-G1177 WeakPolarHBondContact O-CA 3.48Å
562M26.5Very low30.9Very low95 Ų95120.6 Ų120.647%0.46869%0.685SS.*  trans-61.2158.9-173.7-39.6-179.852.300117V1175 S1176M562-V1175 HydrophobicContact CE-CG1 3.92Å; M562-V1175 HydrophobicContact CE-CG2 4.41Å; M562-V1175 HydrophobicContact CG-CG1 3.7Å; M562-V1175 HydrophobicContact SD-CG1 3.87Å; M562-S1176 WeakPolarHBondContact CA-O 3.13Å; M562-S1176 WeakPolarHBondContact CA-OG 3.29Å; M562-S1176 PolarHBondContact N-O 3.37Å
563T30.9Very low30.9Very low61 Ų61125.6 Ų125.637%0.37469%0.691SS.*  -150.214297.197.10000112.4S1176 T1178T563-S1176 PolarHBondContact N-OG 2.98Å; T563-S1176 PolarHBondContact O-OG 2.87Å; T563-T1178 HydrophobicContact CG2-CG2 3.76Å; T563-T1178 WeakPolarHBondContact OG1-CG2 3.24Å
564S29.2Very low30.6Very low98 Ų98125.7 Ų125.769%0.68569%0.691SS**  -128.3145.4116.958.90000106.6
565K32.1Very low30.4Very low187 Ų187125.8 Ų125.881%0.81369%0.692SS**  trans-89.9154-164.7-85.4-177.1176175.60114
566P39.7Very low30.1Very low85 Ų85123.9 Ų123.955%0.55269%0.693SS**  trans-109.1176.3-161.442.2-35.3000113.8I569P566-I569 HydrophobicContact CG-CD1 4.14Å
567N29.4Very low30.1Very low141 Ų141125.1 Ų125.175%0.75470%0.699SS**  -17083.2122-95.5-19.7000113.5
568V29.2Very low30.4Very low148 Ų148122 Ų12290%0.89770%0.7SS**  trans-133.1119.3142.5179.90000106.5
569I30.9Very low30.3Very low118 Ų118120 Ų12061%0.60570%0.696SS**  trans-149.6137.4-162.9-76-175.4000107.4P566P566-I569 HydrophobicContact CG-CD1 4.14Å
570V27.4Very low30.3Very low113 Ų113118 Ų11869%0.68568%0.683SS**  cis-153.7136.8-7.6124.10000109.3
571V28.4Very low30.4Very low109 Ų109115.8 Ų115.866%0.66167%0.672SS**  trans22148.9137.6-157.50000120.8K573V571-K573 HydrophobicContact CG1-CB 4.46Å
572Q29.5Very low30.5Very low162 Ų162117.3 Ų117.376%0.75767%0.671SS**  149.899.8128.2-155.980-13.400110.8
573K29.1Very low30.8Very low161 Ų161114.3 Ų114.370%0.766%0.664SS**  cis85.7105.247.1-173.7-166.5172.6179.70115V571V571-K573 HydrophobicContact CG1-CB 4.46Å
574T30.6Very low31.1Very low135 Ų135117.4 Ų117.483%0.82868%0.678SS**  trans-162.9163.1138.443.90000109.3
575T29.2Very low32Very low122 Ų122117.1 Ų117.175%0.74867%0.674SS**  cis-170.6124.4-36.9-85.70000109.6
576G27.6Very low32.3Very low67 Ų67110.1 Ų110.169%0.69166%0.655SS**  trans106.4123.3131.100000123.2
577K27.6Very low32.3Very low212 Ų212116.2 Ų116.292%0.92267%0.673SS**  trans88.2141.6145.4-57.8-172.1176.4-174.20120.2
578G32Very low32.2Very low68 Ų68115.2 Ų115.270%0.70168%0.676SS**  trans-104.8-149.1179.300000114
579A30.7Very low32Very low85 Ų85116.3 Ų116.370%0.70267%0.674SS**  cis-151.6-136.720.700000112.6
580T31.1Very low31.8Very low80 Ų80117.4 Ų117.449%0.49169%0.686SS.*  trans112.275.1157.3-50.70000119.5G505 P506G505-T580 PolarHBondContact O-OG1 3.24Å; P506-T580 WeakPolarHBondContact CA-OG1 3.42Å; P506-T580 HydrophobicContact CB-CG2 4.42Å; P506-T580 WeakPolarHBondContact CB-OG1 3.35Å
581I34.4Very low31.9Very low82 Ų82117.6 Ų117.642%0.42169%0.687SS.*  trans75.4131.6132.953.9167.3000130.7P506 I508P506-I581 HydrophobicContact CB-CG2 4.22Å; I508-I581 HydrophobicContact CG1-CG2 3.91Å
582Q35.4Very low31.9Very low134 Ų134119 Ų11963%0.62670%0.697SS**  16.7150.9115.3-110.3-177.880.400120.6I508 G509I508-Q582 HydrophobicContact CG1-CB 4.17Å; G509-Q582 WeakPolarHBondContact CA-O 3.4Å; G509-Q582 PolarHBondContact N-O 3.44Å
583G33.1Very low31.7Very low33 Ų33118.3 Ų118.334%0.3470%0.697SS.*  cis-179.6-146.221.600000116.1A510A510-G583 WeakPolarHBondContact CA-O 3.42Å
584L36.9Very low31.5Very low125 Ų125118.7 Ų118.765%0.65471%0.706SS**  trans-147.8-168.5-166.5-95.8170.7000111.3
585P48.3Very low31.3Very low92 Ų92119.5 Ų119.560%0.59771%0.705SS**  cis-128.5-169.6-24.931.5-11000112.8R511R511-P585 WeakPolarHBondContact CD-O 3.43Å; R511-P585 PolarHBondContact NH1-O 1.81Å
586G38.6Very low31.8Very low40 Ų40119.9 Ų119.941%0.41271%0.709SS.*  trans158.3113.1148.400000121.8
587K38.9Very low31.6Very low214 Ų214120.2 Ų120.293%0.9371%0.713SS**  trans70.3118.2143.6-51.3177.7-175.7-1790122.3
588S28.2Very low31.7Very low119 Ų119113.3 Ų113.383%0.83270%0.702SS**  -174.5171.399.3-156.80000113.1
589M23.9Very low31.4Very low171 Ų171117.5 Ų117.584%0.84270%0.704SS**  trans-133169170.4-65.2-173.7-69.100109.7
590V26.8Very low31.2Very low142 Ų142121.9 Ų121.986%0.86171%0.707SS**  168.8145.5121.5155.10000113.7
591T29.3Very low31Very low116 Ų116123.5 Ų123.571%0.71272%0.721SS**  trans-65.4159.4-179.2-36.70000116.7
592T28.8Very low30.6Very low140 Ų140126.8 Ų126.886%0.85974%0.739SS**  -170.4161.6125-73.20000111.1
593L25.7Very low30Very low146 Ų146128.8 Ų128.876%0.76475%0.749SS**  trans-100.6157.6-166.3-60.6149000113.9
594L24.3Very low29.5Very low170 Ų170131.1 Ų131.189%0.8976%0.764SS**  174.6162.9116.1-93.3164.7000114.8
595N26.3Very low28.8Very low152 Ų152131 Ų13181%0.81377%0.769SS**  trans-80176.7172.3-72.7-29.9000111.7
596P39.1Very low27.7Very low129 Ų129135.6 Ų135.684%0.83878%0.782SS**  cis-117.5-172.72.242.3-28.4000112.6
597G25.3Very low27.1Very low74 Ų74136.7 Ų136.776%0.76379%0.794SS**  cis140.5146.7-5.700000112.1
598G27.8Very low26.6Very low68 Ų68133.8 Ų133.870%0.70179%0.794SS**  trans88.4149.917700000115.9
599E26.3Very low26.6Very low155 Ų155137.4 Ų137.472%0.72480%0.795SS**  cis-169.8144.8-4644.6-172.299.100111.3
600K27.8Very low27Very low177 Ų177135.5 Ų135.577%0.7780%0.795SS**  trans4.5126.8154.838.2171.7165.972.50118.9
601S26.5Very low27Very low114 Ų114132.7 Ų132.780%0.79779%0.787SS**  -170.3154.6104.1-162.20000115.3
602L25Very low26.8Very low152 Ų152134.2 Ų134.280%0.79679%0.789SS**  trans-59.7165.6174-51160.2000115.2
603Q22.7Very low26.7Very low176 Ų176134.1 Ų134.182%0.82278%0.782SS**  117.3115123.3-158.7156.69.600120.2
604A22.5Very low26.7Very low81 Ų81133.5 Ų133.567%0.66978%0.784SS**  trans83.8127.5136.800000124.3
605V22.9Very low26.9Very low123 Ų123130.9 Ų130.975%0.74578%0.775SS**  83.7119.5126.2167.40000121.3
606Q25.3Very low26.9Very low188 Ų188128 Ų12888%0.87977%0.767SS**  trans43128.5146.4-62.8174.2-6.900121.6
607G25.6Very low26.9Very low64 Ų64132.8 Ų132.866%0.6677%0.769SS**  125.2119.3108.900000120.1
608T27.7Very low27.6Very low152 Ų152135 Ų13593%0.93377%0.77SS**  trans69.9147.9146.153.70000121.8
609K28.9Very low27.8Very low196 Ų196139.8 Ų139.885%0.85278%0.777SS**  trans-92.2168.3174.1-58.2176.4177.4178.90111.4
610P32.6Very low27.9Very low130 Ų130138.8 Ų138.884%0.84478%0.782SS**  -119.9172.612935.7-30.9000113.7
611A26.8Very low27.9Very low83 Ų83138.3 Ų138.369%0.68678%0.78SS**  trans-122.4179173.700000109.9
612I24.8Very low27.8Very low148 Ų148141.8 Ų141.876%0.75979%0.786SS**  -179.8117.987.2-87.8173.8000107.3
613I27.9Very low28.2Very low139 Ų139140.1 Ų140.171%0.71378%0.776SS**  60.4126.9101.3-55.3162.9000117.3
614T25.5Very low28.4Very low133 Ų133138.1 Ų138.182%0.81678%0.776SS**  trans-179.5136.8131.730.30000109.7
615T28.9Very low28.7Very low115 Ų115140 Ų14071%0.70678%0.779SS**  cis-134.7-169.4-13.769.20000107.3
616S25.2Very low29.3Very low91 Ų91142 Ų14264%0.63678%0.781SS**  cis-154.4162.41.7-108.30000106.4
617R39.9Very low29.6Very low230 Ų230139 Ų13987%0.86878%0.777SS**  cis79.5142.534.7-56.5172.7-178.5-112.43.6114.4
618P38.3Very low29.5Very low121 Ų121145.3 Ų145.379%0.78679%0.786SS**  cis-111.4151.27.139.5-29.5000115.9
619I32.5Very low29.5Very low168 Ų168141.3 Ų141.386%0.86278%0.775SS**  trans-131.8138.6154-67.6176.9000105.8
620T29.4Very low29.4Very low134 Ų134139.9 Ų139.982%0.82278%0.775SS**  trans-87.8135-179.7-58.80000111
621K27.3Very low29.1Very low166 Ų166139.2 Ų139.272%0.72277%0.774SS**  trans-85.5159.5171.5-64.9178.9169.3-171.90110.7I623K621-I623 HydrophobicContact CD-CD1 3.84Å; K621-I623 HydrophobicContact CD-CG1 4.41Å
622M25.3Very low29Very low188 Ų188141.1 Ų141.193%0.92678%0.78SS**  -139152.5113.2-155.1151.368.100111.2
623I32.1Very low29Very low116 Ų116137.8 Ų137.860%0.59578%0.783SS**  trans-139147.2-179-58.8168000105.1K621K621-I623 HydrophobicContact CD-CD1 3.84Å; K621-I623 HydrophobicContact CD-CG1 4.41Å
624V27.3Very low28.9Very low135 Ų135136.4 Ų136.482%0.81879%0.786SS**  trans162.5146.4150.1146.20000109.3
625T29.8Very low28.9Very low119 Ų119138.4 Ų138.473%0.7379%0.786SS**  cis-163.5158.2-28.8-73.60000106.6
626Q33.8Very low28.9Very low167 Ų167137.6 Ų137.678%0.7879%0.785SS**  trans-66.4166172.4-66.7-172.2-3.100113.5
627P31.8Very low29Very low124 Ų124139.6 Ų139.681%0.80579%0.793SS**  -142.3106.3114.835-20.3000116.5
628K24.1Very low28.5Very low196 Ų196132 Ų13285%0.85278%0.78SS**  44.5105.8115.3-163.9169.2-170.8168.60120.4
629G28.6Very low28Very low68 Ų68132.2 Ų132.270%0.70178%0.779SS**  trans140.8150.8157.800000113.6
630I26.4Very low27.6Very low166 Ų166132.5 Ų132.585%0.85177%0.774SS**  cis-156.7154.3-9.441.8168.4000110.2
631S25.1Very low27.6Very low116 Ų116132.6 Ų132.681%0.81177%0.768SS**  trans62.4146.1158.2-146.70000120.8
632C25.9Very low27.7Very low123 Ų123131.5 Ų131.583%0.83177%0.769SS**  trans-90.1167.5151.961.90000110.1
633G24.9Very low29Very low79 Ų79127.7 Ų127.781%0.81476%0.758SS**  trans-170.5131.6178.100000112.8
634S25.5Very low28.8Very low110 Ų110129 Ų12977%0.76977%0.772SS**  trans-88.2148.6-170.9-171.10000114.3
635Q24.5Very low28.7Very low175 Ų175131.9 Ų131.982%0.81877%0.773SS**  trans22.9123.5150-65.6-168.43.500122.1
636S29.6Very low28.8Very low97 Ų97133.4 Ų133.468%0.67878%0.775SS**  69.4157.2113.9-154.90000122.2
637T27.8Very low28.6Very low133 Ų133131.5 Ų131.582%0.81678%0.775SS**  trans73.6157.8171.879.30000115.5
638A28.6Very low28.4Very low72 Ų72136.7 Ų136.760%0.59578%0.78SS**  cis-154.8140.21300000115.9
639T27.6Very low28.6Very low124 Ų124130.6 Ų130.676%0.76177%0.772SS**  trans60.713013056.20000122.5
640K24.7Very low28.8Very low174 Ų174135.8 Ų135.876%0.75778%0.778SS**  cis122.317749.3-174.8-169.2176.3-171.90108.4
641I28.4Very low29.1Very low137 Ų137136.6 Ų136.670%0.70378%0.779SS**  trans85105.9161.1-52.5169000113.6
642I29Very low29.3Very low143 Ų143134.5 Ų134.573%0.73378%0.776SS**  cis68.9129.427.2-48176000113.8
643P52.8Low29.4Very low107 Ų107138.2 Ų138.270%0.69578%0.778SS**  cis-134.1-171.2-19.941.2-24.4000113.2
644T28.1Very low29.8Very low145 Ų145140.1 Ų140.189%0.8977%0.774SS**  -161.8171.6129.22.90000112.3
645K26.3Very low29.8Very low194 Ų194142.8 Ų142.884%0.84377%0.774SS**  trans-122.5-176.1-177.5-81-173.3176.5-175.10110.4
646I30.8Very low30Very low152 Ų152140.2 Ų140.278%0.77977%0.77SS**  trans112.3107.1141.2-53.5-168.4000117
647V29.3Very low30.1Very low127 Ų127141.5 Ų141.577%0.7777%0.769SS**  trans68.5102.9143.1178.20000122
648Y29Very low30.4Very low233 Ų233142.5 Ų142.591%0.91477%0.767SS**  46.2128.6106.6-130.1-89.9000122.8
649G28.8Very low30.2Very low67 Ų67147.3 Ų147.369%0.69178%0.775SS**  trans138.8163.4150.300000114.4
650Q30.8Very low30.9Very low177 Ų177145.6 Ų145.683%0.82777%0.766SS**  cis-167.5131.1-37.5179.6169.445.200108.7
651Q32.6Very low30.8Very low183 Ų183146.4 Ų146.486%0.85577%0.769SS**  trans54.3125.3164.5-67.7-724.100120.2
652G30.3Very low31.5Very low73 Ų73143.9 Ų143.975%0.75376%0.762SS**  trans-170.614917000000113.3
653K28.6Very low31.4Very low200 Ų200144 Ų14487%0.8777%0.769SS**  trans-114.5-178.4-179.5-67.8179.6178.4175.70111.5
654T32Very low30.1Very low120 Ų120146.3 Ų146.374%0.73677%0.768SS**  trans91.2112168.4-440000112.2
655Q25.2Very low30Very low165 Ų165147.9 Ų147.977%0.77177%0.765SS**  51.4132.687.6-56.4-171.260.800112.9
656V29.9Very low30.3Very low121 Ų121143.3 Ų143.373%0.73376%0.764SS**  -150.613361.4150.10000107.9
657L30.8Very low30.1Very low125 Ų125140.6 Ų140.665%0.65476%0.764SS**  80.3148.356.6-178.867.1000113.3K659L657-K659 HydrophobicContact CD1-CB 4.39Å
658I34.3Very low30.2Very low153 Ų153141 Ų14179%0.78577%0.766SS**  trans90.4106-164.9-57.2165.4000111.9
659K23.9Very low30Very low174 Ų174136.5 Ų136.576%0.75776%0.763SS**  cis67.5138.20.2-124.7-135.6171.2-173.90117.1L657L657-K659 HydrophobicContact CD1-CB 4.39Å
660P43.6Very low30.3Very low87 Ų87137.9 Ų137.957%0.56576%0.763SS**  -145.8174.8-53.340.5-25.2000115.5
661K23.2Very low29.9Very low191 Ų191136.8 Ų136.883%0.8376%0.757SS**  trans61.8-169.9143.3-89.3-178145.867.80115.5
662P41.4Very low29.5Very low85 Ų85135.3 Ų135.355%0.55275%0.75SS**  -134.2154.5-61.838-23.5000114.9
663V27.2Very low29.3Very low144 Ų144137.4 Ų137.487%0.87375%0.749SS**  trans-144.6102.3154.2-167.90000106.1
664F26.7Very low29.4Very low156 Ų156137.5 Ų137.568%0.68474%0.744SS**  86.5122.470.2-97.8-74.1000114.6
665Q25.3Very low29.3Very low178 Ų178137.8 Ų137.883%0.83274%0.736SS**  trans65154.8157.2-80.6159.2000118.3
666A32.7Very low29.6Very low98 Ų98136.6 Ų136.681%0.8174%0.735SS**  cis-137.4174.3-100000111.6
667A27Very low29.6Very low96 Ų96136.2 Ų136.279%0.79373%0.733SS**  trans-135.5137.5171.400000111
668V30.6Very low29.6Very low134 Ų134136 Ų13681%0.81274%0.736SS**  trans-159119.7162.2-99.50000105.6
669V25.4Very low29.3Very low139 Ų139135.9 Ų135.984%0.84273%0.733SS**  84.8139.777.9165.90000112.1
670S33.9Very low29.6Very low97 Ų97132.9 Ų132.968%0.67873%0.729SS**  trans-91.9-169.4-176.152.90000112.8
671E23.8Very low28.8Very low154 Ų154134.9 Ų134.972%0.7273%0.734SS**  trans83.6138.3158.3-80.9-160.89500121.1
672Q24Very low29Very low152 Ų152132.4 Ų132.471%0.7173%0.725SS**  trans59.395.5145.3-66.9-165.741.500120.6
673T26.7Very low28.5Very low116 Ų116135.8 Ų135.871%0.71273%0.734SS**  85155119.8-50.30000116.7
674R29.1Very low28.4Very low203 Ų203134.5 Ų134.577%0.76673%0.726SS**  trans104.6128.2163.3-59.2-170172.3-116.68.4115.9
675Q30Very low28.5Very low125 Ų125131.3 Ų131.358%0.58472%0.719SS**  cis-170.9170.8-12.1-127.8159.8-8.600112.8
676L33.1Very low28.5Very low140 Ų140133.4 Ų133.473%0.73372%0.72SS**  trans66.5115.3161.2-92.164.5000117.1
677V28.8Very low28.2Very low114 Ų114134.2 Ų134.269%0.69172%0.719SS**  78.2135.374.9168.70000113.8
678T30.1Very low28.1Very low120 Ų120133.5 Ų133.574%0.73671%0.714SS**  trans63.5146.9169.946.60000117.9
679E29.5Very low27.8Very low151 Ų151135.5 Ų135.571%0.70671%0.714SS**  cis-171.5178.3-24.8-150-173.7124.700107.9
680T30.4Very low27.7Very low111 Ų111134.5 Ų134.568%0.68171%0.708SS**  trans66.5145.4153.754.70000119.9
681L26.4Very low27.2Very low128 Ų128133.4 Ų133.467%0.6770%0.701SS**  cis-164.9137.5-25.1-168.154000109.3
682Q27.4Very low27.3Very low139 Ų139133.1 Ų133.165%0.6570%0.699SS**  trans65.6161.1149.9-88.2169.526.200121.9
683Q29.9Very low27.4Very low157 Ų157127.5 Ų127.573%0.73468%0.679SS**  trans77.3141.1148.2-79.3164.866.200117.9
684V25.5Very low27.5Very low116 Ų116128.2 Ų128.270%0.70367%0.674SS**  cis169.3120.7-22.5121.60000104.6
685T28.1Very low27.5Very low89 Ų89122.9 Ų122.955%0.54666%0.664SS.*  trans83115.5131.4-640000121.5
686R27Very low27.4Very low222 Ų222121.3 Ų121.384%0.83867%0.667SS**  trans86.5151.1137.3-78.8171.4-161.5131.90.8121.8
687S26.3Very low27.1Very low115 Ų115115.9 Ų115.980%0.80465%0.645SS**  trans79.4151.9148.2-69.10000118.4
688A24.3Very low27.2Very low81 Ų81117.5 Ų117.567%0.66965%0.645SS**  cis-175.9161.9-23.700000109.9
689E23.9Very low27Very low177 Ų177117.9 Ų117.983%0.82764%0.643SS**  trans6499.8142.9-168173.816300120.7
690V23.4Very low27Very low118 Ų118112.1 Ų112.172%0.71562%0.624SS**  52.3120.9128.9-177.20000120
691S24.2Very low27Very low74 Ų74111.4 Ų111.452%0.51762%0.624SS.*  trans149.5171142-770000112.6
692Q25.1Very low27.1Very low147 Ų147113.6 Ų113.669%0.68763%0.632SS**  cis176.2136.7-35.5-170.8-157.17600109.8Q1251Q692-Q1251 PolarHBondContact O-NE2 3.38Å; Q692-Q1251 PolarHBondContact O-OE1 3.33Å; Q692-Q1251 VanDerWaalsContact O-OE1 3.12Å
693A25.9Very low27.3Very low35 Ų35114.6 Ų114.629%0.28963%0.634SS.*  trans93.2129.1152.500000123.5Q1251A693-Q1251 WeakPolarHBondContact O-CG 3.08Å; A693-Q1251 PolarHBondContact O-NE2 2.85Å
694Q28.7Very low27.4Very low131 Ų131112.9 Ų112.961%0.61263%0.631SS**  trans68.5-163.5138.8-69.4-169.4-55.500119.2T1249 S1250Q694-T1249 CarbonylContact C-O 3.03Å; Q694-T1249 VanDerWaalsContact C-O 3.25Å; Q694-T1249 CarbonylContact O-C 2.76Å; Q694-T1249 WeakPolarHBondContact O-CA 3.48Å; Q694-T1249 WeakPolarHBondContact O-CB 3.46Å; Q694-T1249 WeakPolarHBondContact O-CG2 3.2Å; Q694-S1250 CarbonylContact C-O 3.36Å; Q694-S1250 WeakPolarHBondContact CA-O 3.3Å; Q694-S1250 PolarHBondContact N-O 3.28Å; Q694-S1250 CarbonylContact O-C 3.15Å; Q694-S1250 WeakPolarHBondContact O-CA 3.43Å; Q694-S1250 WeakPolarHBondContact O-CB 3.47Å; Q694-S1250 PolarHBondContact O-N 2.89Å
695T29.1Very low27.5Very low90 Ų90114.5 Ų114.555%0.55264%0.635SS**  -129174.4-103.945.30000119.9T1249T695-T1249 VanDerWaalsContact CA-O 3.3Å; T695-T1249 WeakPolarHBondContact CA-O 3.41Å
696S27.3Very low27.6Very low92 Ų92114 Ų11464%0.64364%0.64SS**  trans78.9148.4167.574.40000119.1N1247 Y1248 T1249S696-N1247 CarbonylContact C-O 3.52Å; S696-Y1248 CarbonylContact C-O 2.85Å; S696-Y1248 WeakPolarHBondContact CA-O 3.18Å; S696-Y1248 VanDerWaalsContact N-C 3.33Å; S696-Y1248 PolarHBondContact N-O 3.21Å; S696-Y1248 CarbonylContact O-C 3.25Å; S696-Y1248 VanDerWaalsContact O-CB 3.27Å; S696-Y1248 WeakPolarHBondContact O-CB 3.08Å; S696-T1249 PolarHBondContact O-N 2.83Å
697G28.1Very low27.6Very low27 Ų27107.7 Ų107.728%0.27864%0.635SS.*  cis159.8166.3-14.900000114.2T1246 N1247G697-T1246 CarbonylContact C-O 3.51Å; G697-T1246 WeakPolarHBondContact O-CB 3.45Å; G697-T1246 WeakPolarHBondContact O-CG2 3.42Å; G697-N1247 WeakPolarHBondContact CA-O 3.4Å; G697-N1247 PolarHBondContact N-O 2.92Å
698Q29.9Very low27.5Very low147 Ų147108.6 Ų108.669%0.68764%0.636SS**  trans108.294.6170.6-59.1-168.5-76.400120.3T1246Q698-T1246 CarbonylContact C-O 3.56Å; Q698-T1246 VanDerWaalsContact CA-O 3.26Å; Q698-T1246 WeakPolarHBondContact CA-O 3.35Å; Q698-T1246 PolarHBondContact N-O 3.45Å; Q698-T1246 CarbonylContact O-C 3.58Å; Q698-T1246 VanDerWaalsContact O-CA 3.25Å; Q698-T1246 WeakPolarHBondContact O-CA 3.24Å; Q698-T1246 WeakPolarHBondContact O-CB 3.33Å; Q698-T1246 PolarHBondContact O-N 2.72Å; Q698-T1246 PolarHBondContact O-OG1 2.75Å
699D27.5Very low27.8Very low128 Ų128112.4 Ų112.468%0.68464%0.644SS**  88.8166.892.9-112.9-52.1000116E1244 T1246D699-E1244 WeakPolarHBondContact O-CB 3.39Å; D699-E1244 WeakPolarHBondContact O-CG 3.48Å; D699-T1246 PolarHBondContact N-O 3.24Å
700G29.5Very low28Very low30 Ų30108.2 Ų108.231%0.30964%0.639SS.*  trans92.763.9166.400000119E1244G700-E1244 WeakPolarHBondContact CA-OE2 3.1Å; G700-E1244 WeakPolarHBondContact O-CB 3.49Å
701S29.8Very low28.1Very low97 Ų97110.8 Ų110.868%0.67864%0.644SS**  83.1123.654.2-159.30000116.1
702M29.2Very low28.3Very low173 Ų173111.3 Ų111.385%0.85265%0.653SS**  trans84.8139.9166.2-52.8-151.3-173.600119.4
703K30.9Very low28.4Very low160 Ų160110 Ų11070%0.69666%0.655SS**  cis-170.7148.8-13.3169.1159-169.5176.10112.1
704D30.9Very low28.3Very low122 Ų122114.2 Ų114.265%0.65268%0.682SS**  trans21146.2152.7-62.7-169.7000121.6
705D28.3Very low28.3Very low150 Ų150116 Ų11680%0.80270%0.695SS**  cis-174.1-171.6-13.7-154.1-88.1000109.4
706A30.5Very low28.1Very low79 Ų79116.8 Ų116.865%0.65370%0.704SS**  trans89.9107.4144.100000121.8
707A26.5Very low28Very low89 Ų89117.6 Ų117.674%0.73671%0.71SS**  trans63.6110139.600000119.6
708V25.6Very low28Very low133 Ų133125.1 Ų125.181%0.80674%0.738SS**  69.9109.162177.60000114.1
709L29.3Very low28Very low161 Ų161124.8 Ų124.884%0.84375%0.746SS**  -171.6148.2115-15070.6000113.8
710A27.8Very low28.3Very low89 Ų89122 Ų12274%0.73674%0.736SS**  trans69.6120.8150.300000122.8
711E25Very low28.5Very low172 Ų172124.8 Ų124.880%0.80474%0.744SS**  trans-50.5149.5149.1-69.4159.293.800111.7
712A28.6Very low28.7Very low85 Ų85123.9 Ų123.970%0.70274%0.737SS**  60.5142.763.300000113.1
713T28.6Very low28.9Very low121 Ų121118.6 Ų118.674%0.74273%0.728SS**  cis-156.9167.214-32.60000110.9
714S22.8Very low29Very low122 Ų122117.7 Ų117.785%0.85374%0.735SS**  trans-156.7155.9155.6-80.20000112
715L28.5Very low28.9Very low168 Ų168120.9 Ų120.988%0.8875%0.747SS**  trans-114.2167.6-160.3-61.6158.1000112.9
716S25.7Very low29Very low107 Ų107119.7 Ų119.775%0.74874%0.74SS**  163.4147.2121.8-175.10000116.4
717S25.3Very low29.1Very low110 Ų110122 Ų12277%0.76974%0.741SS**  trans81157.2147.829.90000123
718E28Very low28.9Very low185 Ų185123.3 Ų123.386%0.86473%0.732SS**  trans-128-157-155.6-52.6165.284.300114.6
719V29.3Very low29.8Very low140 Ų140120.8 Ų120.885%0.84872%0.718SS**  trans91.3144.2162.51790000117.5
720S33.9Very low29.5Very low68 Ų68119.1 Ų119.148%0.47671%0.714SS.*  cis178.7-179-33.1-118.80000112S1225 I1226S720-S1225 WeakPolarHBondContact CB-O 3.39Å; S720-S1225 PolarHBondContact OG-O 3.36Å; S720-I1226 WeakPolarHBondContact CA-O 3.49Å; S720-I1226 PolarHBondContact OG-O 3.43Å
721N34.8Very low29.4Very low90 Ų90121.1 Ų121.148%0.48172%0.717SS.*  trans74164.3165.4-80.773.2000120.5F1224 S1225 I1226N721-F1224 PolarHBondContact ND2-O 2.68Å; N721-F1224 VanDerWaalsContact ND2-O 3.11Å; N721-S1225 PolarHBondContact N-O 3.45Å; N721-S1225 PolarHBondContact OD1-O 3.39Å; N721-I1226 PolarHBondContact N-O 3.36Å
722S33.9Very low29.5Very low77 Ų77122.1 Ų122.154%0.53872%0.721SS.*  cis-178.9157.3-36.754.70000110.6
723G32.9Very low29.5Very low63 Ų63125.5 Ų125.565%0.64973%0.727SS**  cis123.1142.83.200000112.7
724T33Very low29.4Very low140 Ų140126 Ų12686%0.85973%0.729SS**  cis-170.1159.2-10.1-59.70000109.6
725Q29Very low29.5Very low190 Ų190123.9 Ų123.989%0.88871%0.714SS**  trans-153114177-112.7-176.521.600120
726D30.5Very low29.5Very low125 Ų125121.5 Ų121.567%0.66871%0.712SS**  53.7157.3129.1-121.7-30.4000129.5L9L9-D726 WeakPolarHBondContact CD2-OD1 3.4Å
727L31.2Very low29.4Very low127 Ų127128.1 Ų128.167%0.66572%0.72SS**  trans104.2135.5163.5-54.8-174.8000122.4P7 L9P7-L727 HydrophobicContact CG-CD2 4.41Å; L9-L727 HydrophobicContact CD1-CB 4.5Å; L9-L727 HydrophobicContact CD1-CD2 3.54Å
728Q23.3Very low29.5Very low117 Ų117130.2 Ų130.255%0.54772%0.718SS.*  trans-151-151.4174-53.1-175.5-10.300109.7L9 T10L9-Q728 HydrophobicContact CD2-CB 3.98Å; L9-Q728 HydrophobicContact CD2-CG 3.74Å; L9-Q728 HydrophobicContact CG-CB 4.45Å; T10-Q728 PolarHBondContact OG1-NE2 2.9Å
729P43.8Very low29.4Very low79 Ų79128.7 Ų128.751%0.51371%0.711SS.*  cis-139.8-15812.740.8-15.7000116.9
730V23.8Very low29.2Very low127 Ų127127.6 Ų127.677%0.7770%0.7SS**  trans109.795.1161.7-171.60000120.1
731V25.7Very low28.8Very low131 Ų131135.8 Ų135.879%0.79472%0.721SS**  trans35.8117.5132.8-170.20000122.1
732H27.4Very low28.4Very low193 Ų193137.1 Ų137.189%0.89473%0.733SS**  -150.5171.9119.4-130.8164.8000111.1
733L28.7Very low28.1Very low156 Ų156141.9 Ų141.982%0.81775%0.746SS**  trans-125.2162-165.1-162.976.3000112.5
734V26.1Very low27.7Very low131 Ų131145.5 Ų145.579%0.79475%0.746SS**  trans92.7125.2164.4-170.80000116.7
735S25.6Very low27.4Very low77 Ų77146.4 Ų146.454%0.53874%0.741SS.*  trans-66.7157.9175.8-177.70000113.4
736S26.8Very low27.1Very low118 Ų118143.4 Ų143.483%0.82574%0.735SS**  -177.2116.8122.5-81.10000112.9
737R25Very low26.9Very low246 Ų246141.5 Ų141.593%0.92874%0.737SS**  -165.785.1113.3-166.4173.6-171.1-166.90.6110.9
738E26.3Very low26.5Very low154 Ų154143 Ų14372%0.7274%0.742SS**  trans-103.8-166.1164.4-65.7179.4102.800109.9
739Q27.2Very low26.6Very low153 Ų153145.3 Ų145.372%0.71575%0.753SS**  trans89.189.3155.3-113.876.584.300120.6
740D25Very low25.7Very low118 Ų118147.2 Ų147.263%0.63177%0.768SS**  35.7145.6113.4-55-74000123.8
741W23.9Very low25.7Very low240 Ų240148.7 Ų148.791%0.90977%0.77SS**  -160.2149.4126.4-77.7126.1000107.5
742T26.3Very low26.2Very low118 Ų118147.8 Ų147.872%0.72477%0.767SS**  cis-158.6159.83.71.40000110.7
743E27.7Very low26.1Very low177 Ų177144.4 Ų144.483%0.82776%0.76SS**  trans-137.9157.8163.7-83.4-171.217300108.2
744Q25Very low26.1Very low139 Ų139143.9 Ų143.965%0.6576%0.756SS**  cis-164.9164.6-9.4155172.4-70.400108.2
745E26.5Very low26.1Very low158 Ų158145.1 Ų145.174%0.73876%0.757SS**  trans71.4155.7162.6-89.4178.293.400118
746V23.8Very low26.3Very low128 Ų128151.1 Ų151.178%0.77677%0.769SS**  cis-163.6175.9-19.180.70000111.9
747A25.9Very low26.9Very low84 Ų84151.7 Ų151.769%0.69477%0.77SS**  trans83.5102.9157.800000123.7
748M23.7Very low27Very low160 Ų160145.5 Ų145.579%0.78876%0.755SS**  76.5131.7112.5-126.4177.375.700124.9
749E25.3Very low27Very low165 Ų165144.9 Ų144.977%0.77176%0.762SS**  trans82111.4141.2-143.2165-130.400123
750S23.1Very low27Very low118 Ų118142.1 Ų142.183%0.82576%0.76SS**  170.1166.7123.948.20000113.2
751I24.9Very low27.2Very low158 Ų158141.3 Ų141.381%0.8177%0.769SS**  trans-136.6155.5179.5-26.6176.5000109.1
752P35.8Very low27.5Very low113 Ų113135.8 Ų135.873%0.73477%0.767SS**  -147.4140.4106.432.1-13.6000117.3
753T26Very low27.7Very low122 Ų122137 Ų13775%0.74877%0.769SS**  34.3146.9123.1-3.40000120.5
754I27.6Very low27.9Very low144 Ų144134.3 Ų134.374%0.73877%0.77SS**  cis-154.5145.224.8-37.3165.4000111
755I27.4Very low28.1Very low158 Ų158136 Ų13681%0.8178%0.778SS**  160.8137.6129.9-83.1166.6000111
756Y28.9Very low28.3Very low203 Ų203134.3 Ų134.380%0.79678%0.784SS**  trans-118.3157.1179.4-112-82.2000108.3D758Y756-D758 HydrophobicContact CD1-CB 4.34Å; Y756-D758 HydrophobicContact CE1-CB 4.25Å
757P39Very low28.7Very low129 Ų129132.5 Ų132.584%0.83878%0.782SS**  -141.7165.580.236.6-19.3000116.3
758D27.6Very low29Very low116 Ų116135.5 Ų135.562%0.6279%0.792SS**  trans-103.9143.8177.7163.548000111.1Y756Y756-D758 HydrophobicContact CD1-CB 4.34Å; Y756-D758 HydrophobicContact CE1-CB 4.25Å
759V26.1Very low29.6Very low142 Ų142132.1 Ų132.186%0.86178%0.784SS**  trans-143.7137.7160.6175.90000108.1
760S28.2Very low30.7Very low95 Ų95129.7 Ų129.766%0.66478%0.78SS**  trans-118.6162.9-168.340.90000114.7
761A27.7Very low31.8Very low101 Ų101131.7 Ų131.784%0.83578%0.78SS**  trans75.6115.6162.300000120.6
762S30.7Very low32.7Very low123 Ų123132.6 Ų132.686%0.8678%0.778SS**  -158.6142.3128.859.20000111.5
763D32Very low33Very low144 Ų144130.1 Ų130.177%0.7777%0.768SS**  trans-88147.7-178.9-76.1-91.2000114
764S30.6Very low33.7Very low121 Ų121131 Ų13185%0.84677%0.767SS**  trans-173.1111.6147.2-79.90000108.4
765Q30.3Very low34.5Very low174 Ų174132.1 Ų132.181%0.81377%0.774SS**  69.289.454.3-64.3-1513.700116.8
766S30.3Very low35.3Very low123 Ų123132.8 Ų132.886%0.8677%0.773SS**  167.5164.1129.3500000112
767A30.9Very low35.9Very low89 Ų89130.8 Ų130.874%0.73678%0.775SS**  cis-164.4104.1-41.800000111.6
768T33.7Very low36Very low147 Ų147133.1 Ų133.190%0.90278%0.775SS**  trans-160.183.9161.8-65.80000110.7
769S35.5Very low36.4Very low90 Ų90136 Ų13663%0.62979%0.785SS**  trans-164.869.7169.4-165.90000113.9
770T47.8Very low36.6Very low113 Ų113135.8 Ų135.869%0.69378%0.784SS**  trans-91.7-16.7-176.8-42.60000113.7
771I48Very low36.6Very low161 Ų161138 Ų13883%0.82679%0.794SS**SBendtrans-90.3-23.2-166.9-62.8177.9000113.5
772K42.7Very low36.4Very low176 Ų176140.1 Ų140.177%0.76580%0.796SS**SBendtrans-83.5-34.6174.9-77.8-169.9174-176.30113.8L774K772-L774 VanDerWaalsContact C-N 3.28Å; K772-L774 PolarHBondContact O-N 2.72Å
773A41.4Very low36.3Very low62 Ų62142.9 Ų142.951%0.51279%0.793SS.*THydrogen-bonded Turntrans-68.9-19.4-173.500000114.9L775A773-L775 VanDerWaalsContact C-N 3.35Å; A773-L775 PolarHBondContact O-N 3.49Å
774L41.5Very low36Very low141 Ų141143 Ų14374%0.73879%0.789SS**THydrogen-bonded Turntrans-79.1-11.4-175.5-70.1172.2000114.7K772K772-L774 VanDerWaalsContact C-N 3.28Å; K772-L774 PolarHBondContact O-N 2.72Å
775L44.6Very low35.8Very low167 Ų167145.3 Ų145.387%0.87478%0.783SS**THydrogen-bonded Turntrans-95-16.9-179-159.465.9000113.3A773A773-L775 VanDerWaalsContact C-N 3.35Å; A773-L775 PolarHBondContact O-N 3.49Å
776E44.5Very low35.7Very low171 Ų171141 Ų14180%0.79978%0.777SS**THydrogen-bonded Turntrans-94.5-19.2-171.2-153.216812800113.5
777L41.7Very low35.3Very low161 Ų161143.4 Ų143.484%0.84378%0.775SS**SBendtrans-116.936-169.7-89.8167.9000115.1
778Q41Very low35.1Very low178 Ų178144.7 Ų144.783%0.83278%0.779SS**SBendtrans-133.134.6166.1-148.4172.8113.400115.1
779Q35.9Very low34.8Very low177 Ų177147 Ų14783%0.82778%0.776SS**SBendtrans-163.1106153.8-117.815910300112.6
780T30.4Very low34.6Very low137 Ų137148.5 Ų148.584%0.8478%0.784SS**  154.393.613043.60000114
781T27.8Very low33.6Very low141 Ų141152 Ų15287%0.86579%0.79SS**  trans-154.383155.3490000113.5
782V24.2Very low33.7Very low146 Ų146149.7 Ų149.789%0.88579%0.785SS**  trans-154.7156.4149-172.20000106.8
783K28.1Very low33.7Very low182 Ų182147 Ų14779%0.79179%0.785SS**  170155-64.8178.8170.3176.1179.90108
784E24.8Very low33.1Very low146 Ų146149.2 Ų149.268%0.68279%0.793SS**  trans72.7141.3178.6-83.8-157.3104.200116.2
785K26Very low32.6Very low170 Ų170149.8 Ų149.874%0.73980%0.795SS**  cis-156.9149.3-2.3-155.1-163.1-165.695.90112
786A28.6Very low32Very low82 Ų82148.2 Ų148.268%0.67879%0.787SS**  trans61.4159.5150.700000120.3
787E22.4Very low31.9Very low175 Ų175144.6 Ų144.682%0.81877%0.773SS**  cis-171.6130.3-28.3-178.9161.2-174.800108
788S26.6Very low31.5Very low116 Ų116141.3 Ų141.381%0.81176%0.764SS**  176.3165.395.940.90000112.6
789K26.3Very low31Very low194 Ų194141.1 Ų141.184%0.84376%0.762SS**  trans-98.4168.7-179.4-117.8173.7-177.2169.50111.1
790P33.1Very low30.8Very low123 Ų123140.4 Ų140.480%0.79976%0.761SS**  -145.2-162.854.531.7-6.9000114.1
791K26.2Very low30.9Very low187 Ų187137.8 Ų137.881%0.81375%0.754SS**  cis-176.6139.7-47.3-175.1-179.3178.5-173.70107.1
792P48.9Very low31Very low112 Ų112137.1 Ų137.173%0.72775%0.749SS**  trans-91.6174.8-176.740.3-39.2000113.2
793P43.7Very low31.5Very low118 Ų118135.5 Ų135.577%0.76674%0.741SS**  -142-173.585.328.3-2.8000112.9
794T28.5Very low31.5Very low110 Ų110134.4 Ų134.468%0.67574%0.743SS**  174.2137.561.1-73.30000111.6
795I31.6Very low31.7Very low153 Ų153136.4 Ų136.479%0.78575%0.752SS**  trans29.4143.1138.3-59.5169.2000119.8
796D30.5Very low31.8Very low134 Ų134135 Ų13572%0.71775%0.752SS**  cis-150.7-176.69-144.8-29.3000111.7
797L43.6Very low31.7Very low95 Ų95138.8 Ų138.850%0.49776%0.755SS.*  trans-129.6112.6148-83.5-168.4000113.3P333P333-L797 HydrophobicContact CB-CD1 4.15Å; P333-L797 HydrophobicContact CG-CB 3.65Å; P333-L797 HydrophobicContact CG-CD1 3.68Å; P333-L797 HydrophobicContact CG-CG 4.16Å
798S32.3Very low31.9Very low92 Ų92137.3 Ų137.364%0.64375%0.748SS**  trans-150.1171.7152.659.90000109.5
799Q31.3Very low31.8Very low173 Ų173138.1 Ų138.181%0.80874%0.739SS**  trans69.480.6176.6-45.8-63.531.500117.8
800M32.2Very low31.8Very low162 Ų162137 Ų13780%0.79874%0.735SS**  trans-147.981.6139.8-107.4-91.279.900109.5
801A31.3Very low31.6Very low83 Ų83135.6 Ų135.669%0.68673%0.734SS**  trans-91.2130.9155.800000108.1
802V31.5Very low31.5Very low126 Ų126129.9 Ų129.976%0.76473%0.728SS**  trans45.8120.7160.7-169.20000118.3
803P33.5Very low31.2Very low112 Ų112130.2 Ų130.273%0.72773%0.73SS**  trans-80.6144.3179.433.9-35.3000113.4
804I29.4Very low30.3Very low160 Ų160133.3 Ų133.382%0.82173%0.734SS**  trans-131.8135.7155.1-64.6-177.3000108.1
805Q27.9Very low30.3Very low188 Ų188133 Ų13388%0.87974%0.736SS**  trans-111.1118.5-178-175.9164.1-2.700110.2
806L29.1Very low30.6Very low140 Ų140131.8 Ų131.873%0.73374%0.738SS**  trans-141.6107.3169.7-91.8173.4000111.7
807Q25.3Very low30.4Very low161 Ų161134.5 Ų134.575%0.75274%0.744SS**  52131.7126.8-107.7168.9-28.700122.3
808Q26.2Very low29.9Very low144 Ų144135.6 Ų135.667%0.67376%0.757SS**  110.2126.9121.3-168.5167.9-34.600119.7
809E26Very low29.6Very low133 Ų133136.2 Ų136.262%0.62176%0.761SS**  trans65154.9159.7-76.2-176.5107.500118.7
810K26.5Very low29.4Very low171 Ų171134.5 Ų134.574%0.74376%0.762SS**  cis-176.4167.6-18.7175166171.5-174.10110.3
811A28.3Very low29.2Very low94 Ų94131.8 Ų131.878%0.77776%0.759SS**  trans70.8133.1163.100000118.4
812G24Very low29Very low67 Ų67136.7 Ų136.769%0.69177%0.768SS**  trans-92.6-142.5144.300000109.3
813P43.2Very low28.7Very low119 Ų119137.5 Ų137.577%0.77377%0.774SS**  cis-137.7-153.49.741.7-21000113.3
814E24.5Very low28.2Very low182 Ų182140 Ų14085%0.8578%0.776SS**  trans95.3150150.4-128.8166126.300120.2
815S29.1Very low29Very low104 Ų104137.2 Ų137.273%0.72777%0.768SS**  trans-123.1168.6-179.9-54.30000108.6
816P36.2Very low28.8Very low127 Ų127133.3 Ų133.383%0.82576%0.761SS**  -153.1-18097.436.7-17.1000116
817K27.5Very low28.8Very low191 Ų191132 Ų13283%0.8376%0.764SS**  trans-103.5153.4165.5-67.4178.6177.4178.70110.6
818P33Very low29Very low119 Ų119132.8 Ų132.877%0.77377%0.767SS**  -133.5168.6101.311.811.4000112
819S25.7Very low29Very low104 Ų104133.6 Ų133.673%0.72777%0.771SS**  cis87.8137.227-510000115
820T27.4Very low29.1Very low137 Ų137132.9 Ų132.984%0.8478%0.775SS**  cis-104.3-109.23.441.30000115.2
821S26.9Very low29.1Very low105 Ų105130 Ų13073%0.73477%0.773SS**  cis-157.5175.211.3-53.70000111.4
822E26.8Very low29.1Very low187 Ų187130.4 Ų130.487%0.87478%0.776SS**  trans-138.6160.4-172.5-59.5179.797.200115.3
823T26.3Very low29.2Very low143 Ų143131 Ų13188%0.87778%0.782SS**  154.1147.7120.4-53.10000114.5
824E22.1Very low28.5Very low164 Ų164135.2 Ų135.277%0.76679%0.788SS**  trans-84.2-158.1174.6-133.6-148.7104.500111.3S826E824-S826 PolarHBondContact OE1-N 3.09Å; E824-S826 VanDerWaalsContact OE1-N 3.08Å
825P46.3Very low28.6Very low101 Ų101133.9 Ų133.966%0.65679%0.793SS**  cis-143.3179.51345.5-25.2000120.7
826S24.5Very low28.4Very low106 Ų106134.4 Ų134.474%0.74180%0.796SS**  trans89.4172.2140.177.60000121.7E824E824-S826 PolarHBondContact OE1-N 3.09Å; E824-S826 VanDerWaalsContact OE1-N 3.08Å
827S29.6Very low27.8Very low112 Ų112139.4 Ų139.478%0.78380%0.799SS**  trans-151.1-152.2-160.777.50000114.5
828E28.1Very low27.5Very low178 Ų178135.2 Ų135.283%0.83280%0.8SS**  trans89.9161.9175.3-56.2-161.7126.700118.5
829H27.7Very low27.1Very low162 Ų162133.3 Ų133.375%0.7580%0.802SS**  cis177.7-164.4-43.5-176.3-112.7000107.7
830V27.1Very low27Very low117 Ų117132.9 Ų132.971%0.70980%0.804SS**  trans80.7140156.6176.50000118.2
831T27.5Very low27.4Very low112 Ų112131.6 Ų131.669%0.68780%0.798SS**  cis-165.5148.2-22-90.70000112.3
832A27.8Very low27.2Very low102 Ų102131.1 Ų131.184%0.84380%0.795SS**  trans9.715315800000125.6
833G25.3Very low27.1Very low80 Ų80129.7 Ų129.783%0.82579%0.788SS**  trans-155.8148.5156.900000111.5
834K29.1Very low27Very low206 Ų206129.4 Ų129.490%0.89678%0.781SS**  trans-157112.6-169.7178.5-173.9177.3-177.40113.9
835T27.4Very low27Very low155 Ų155126 Ų12695%0.95178%0.776SS**  trans-153.9-177.1171.5160000111.7
836S23.3Very low26.1Very low114 Ų114127.5 Ų127.580%0.79778%0.778SS**  trans-139.4159-163-176.80000113.4
837R24.4Very low26.1Very low233 Ų233127.8 Ų127.888%0.87978%0.776SS**  trans86.9140149-153.6-174.2-1721752.7119.5
838A20.7Very low25.9Very low103 Ų103130.3 Ų130.385%0.85178%0.777SS**  trans67.2159.7159.700000117.9
839G25.3Very low25.8Very low79 Ų79128.9 Ų128.981%0.81477%0.772SS**  trans137.335.9173.200000118.6
840A24.5Very low25.6Very low95 Ų95126.1 Ų126.179%0.78577%0.771SS**  trans-78.2158.2146.400000107.6
841P34.3Very low25.4Very low110 Ų110125.8 Ų125.871%0.71477%0.774SS**  cis-143.6-161.531.239.6-17000114.6
842S22.4Very low25.4Very low95 Ų95124.7 Ų124.766%0.66478%0.776SS**  trans48.7151139.5-70.20000121.8
843Q25Very low25.3Very low157 Ų157127.9 Ų127.973%0.73477%0.774SS**  cis-153.9162.317.9-131155.372.500110.5
844D24.4Very low25.5Very low137 Ų137131.2 Ų131.273%0.73377%0.772SS**  20.7145.8123.4-54.9-1.9000119
845S23.4Very low25.5Very low93 Ų93129.2 Ų129.265%0.6577%0.77SS**  cis-170-171-2.146.40000111.3
846D25.8Very low25.5Very low131 Ų131124.9 Ų124.970%0.70176%0.756SS**  trans78.993151.3-64.2-54.6000122.4
847T25.9Very low25.8Very low113 Ų113129 Ų12969%0.69376%0.76SS**  34.8109.8101.5-33.90000118.5
848M25.1Very low26.7Very low165 Ų165123.5 Ų123.581%0.81375%0.754SS**  173.3159.7111.8-94.6-155.3178.200115.5
849M26.3Very low26.9Very low148 Ų148127.7 Ų127.773%0.72975%0.753SS**  trans54.2107.7150.8-91.446.9-174.800122.5
850S22.3Very low26.9Very low103 Ų103134 Ų13472%0.7276%0.758SS**  51.2118.1109.4-61.70000122.4
851S22.4Very low27Very low111 Ų111135 Ų13578%0.77676%0.76SS**  73.2112117.8-177.20000121.1
852A28Very low26.7Very low89 Ų89134.8 Ų134.874%0.73676%0.761SS**  trans68.9-178.3150.600000114.4
853Q26.9Very low27.2Very low169 Ų169134.7 Ų134.779%0.7976%0.76SS**  cis-160.3-175.817.1-157.1173.323.600111.4
854L29.3Very low27.5Very low149 Ų149135.7 Ų135.778%0.7877%0.765SS**  trans79153.3169.1-48.3172.7000114.4
855L29.1Very low27.8Very low165 Ų165135.3 Ų135.386%0.86477%0.767SS**  cis-146150.910.6-168.466.2000109.2
856G27Very low27.9Very low63 Ų63136.5 Ų136.565%0.64977%0.771SS**  cis-173.4168.7-4.500000111.5
857K29.6Very low28.1Very low201 Ų201136.2 Ų136.287%0.87477%0.773SS**  trans-93172.4172.5-55.2177-177.1176.60109.8
858P42.4Very low28.1Very low117 Ų117136.5 Ų136.576%0.7678%0.775SS**  -151.5154.791.537.7-19.5000118.2
859F25.2Very low28.3Very low192 Ų192134.1 Ų134.184%0.84277%0.77SS**  trans14.6136.5143.1-68.5-94.5000122.6
860K24.8Very low28.2Very low210 Ų210136.4 Ų136.491%0.91378%0.775SS**  -155.6176100-113.6176.8-178179.50113.1
861S28.3Very low29.4Very low117 Ų117137 Ų13782%0.81878%0.777SS**  trans-153.3147.4-170.3172.90000110
862S27.5Very low29.4Very low105 Ų105135.5 Ų135.573%0.73477%0.771SS**  trans176.5149.6135.4-153.70000114.9
863S32.1Very low29.2Very low93 Ų93137.7 Ų137.765%0.6578%0.776SS**  trans46.1110.9149.9-67.60000125.4
864Q31.9Very low29.1Very low178 Ų178134 Ų13483%0.83277%0.774SS**  55.9146.9108.8-65.2-177.2-5.100123.4
865V29.7Very low28.9Very low129 Ų129131.3 Ų131.378%0.78277%0.773SS**  trans66108.6174-176.20000114
866T26.2Very low28.8Very low119 Ų119128.1 Ų128.173%0.7377%0.771SS**  cis-164153.54.517.90000108.1
867V29.2Very low28.7Very low125 Ų125130.1 Ų130.176%0.75878%0.775SS**  cis-173.4-177.4-21.266.50000108.7
868V26.4Very low28.5Very low119 Ų119125.3 Ų125.372%0.72177%0.767SS**  trans73.182.3162166.90000118.9
869T30Very low27.8Very low115 Ų115125.1 Ų125.171%0.70677%0.768SS**  51.6126.1119.627.40000125.4
870K23.9Very low27.9Very low195 Ų195120.5 Ų120.585%0.84876%0.759SS**  79.3164.7128.1-94.5-166.8170.1-179.40119.4
871P47.2Very low28Very low115 Ų115115.3 Ų115.375%0.74775%0.75SS**  -141.8-151.8-127.645.4-23000114.1
872A22.5Very low28.1Very low80 Ų80114.4 Ų114.466%0.66174%0.743SS**  trans111.6140.9148.100000117.1
873T25Very low28.1Very low135 Ų135116.1 Ų116.183%0.82875%0.749SS**  trans27.2135.2144.259.70000119.1
874A24.4Very low27.9Very low92 Ų92116.4 Ų116.476%0.7676%0.757SS**  cis-170.9173.542.300000114.5
875A25.2Very low27.6Very low92 Ų92112.4 Ų112.476%0.7676%0.755SS**  trans54.2126.2136.200000123.9
876A26.6Very low27.4Very low98 Ų98110.8 Ų110.881%0.8176%0.755SS**  78.9176.6128.200000122.3
877S24.5Very low27.5Very low105 Ų105110.1 Ų110.173%0.73476%0.755SS**  trans82.396.7163.554.90000122
878S26.4Very low27.4Very low101 Ų101112.3 Ų112.371%0.70676%0.757SS**  45.3137.4116.461.90000124.6
879S27.3Very low27.5Very low113 Ų113113.5 Ų113.579%0.7976%0.758SS**  trans69.5172.4145.577.10000116.6
880S26.4Very low28.2Very low94 Ų94113.5 Ų113.566%0.65776%0.76SS**  cis-159.2-178.911.1580000111.8
881S27.7Very low28.4Very low102 Ų102108.9 Ų108.971%0.71376%0.758SS**  trans63.2143.715954.30000120.2
882S30Very low27.3Very low97 Ų97110 Ų11068%0.67876%0.759SS**  cis100.8142.37.581.90000118.1
883T27.6Very low27.6Very low141 Ų141114.6 Ų114.687%0.86577%0.766SS**  trans68.8163.7167.365.80000117.6
884A27.6Very low27.7Very low99 Ų99111.6 Ų111.682%0.81876%0.761SS**  cis-166.8179.2-36.600000110.3
885A25.6Very low27.6Very low95 Ų95117.4 Ų117.479%0.78577%0.77SS**  trans-56.3163.7-168.800000121
886A26.4Very low27.8Very low94 Ų94119 Ų11978%0.77777%0.77SS**  trans69.9160.5147.400000119.8
887S27.7Very low27.7Very low105 Ų105121.3 Ų121.373%0.73476%0.764SS**  cis-176.8141.5-28.5-86.10000109.5
888H27Very low28.3Very low172 Ų172122 Ų12280%0.79677%0.765SS**  trans167.6128.6141.3-107.7-112.4000116.1
889L29.6Very low28.2Very low143 Ų143122.2 Ų122.275%0.74976%0.762SS**  28.6165.4126.2-55.9-171.9000122.9
890P42.9Very low28.2Very low115 Ų115123.4 Ų123.475%0.74777%0.765SS**  cis-142.6177.214.143.9-25.3000120
891A28.8Very low28.2Very low98 Ų98127.2 Ų127.281%0.8177%0.772SS**  trans69.6150.9157.200000119.4
892D23.3Very low28.3Very low140 Ų140128.7 Ų128.775%0.74978%0.777SS**  cis-144.118016.9-165.323.6000114.7
893H29.3Very low28.4Very low176 Ų176128.6 Ų128.682%0.81578%0.782SS**  trans-52.1161.1-176.3-57.6-75.3000117.6
894G26.9Very low28.7Very low71 Ų71131.4 Ų131.473%0.73279%0.785SS**  cis141.4117-7.300000115.3
895K23.1Very low29.2Very low215 Ų215135 Ų13594%0.93579%0.79SS**  trans-165.8163.2163.4-115.9171.9-175.3179.70113.8
896T29.4Very low29.9Very low124 Ų124137.8 Ų137.876%0.76179%0.787SS**  trans-94.1139-15247.40000118.8
897E24.9Very low30.8Very low148 Ų148136.2 Ų136.269%0.69278%0.779SS**  40.3150.7121.1-71.3-52.8105.200122.3V899E897-V899 VanDerWaalsContact OE2-CG2 3.28Å; E897-V899 WeakPolarHBondContact OE2-CG2 3.48Å; E897-V899 PolarHBondContact OE2-N 3.33Å
898P36.7Very low32.2Very low118 Ų118135.2 Ų135.277%0.76677%0.765SS**  cis-134.2145.732.939.6-22.1000120.7
899V23.2Very low33.7Very low106 Ų106131.8 Ų131.864%0.64276%0.757SS**  trans28.2122.4140.1-167.70000120.3E897E897-V899 VanDerWaalsContact OE2-CG2 3.28Å; E897-V899 WeakPolarHBondContact OE2-CG2 3.48Å; E897-V899 PolarHBondContact OE2-N 3.33Å
900V27.9Very low34.8Very low138 Ų138129.1 Ų129.184%0.83674%0.743SS**  trans-132133.6144.6175.80000108.2
901E27.7Very low36Very low174 Ų174125.8 Ų125.881%0.81372%0.719SS**  trans-113.1132.8-174.6-175.6176.3-172.400110.9
902V29.7Very low36.8Very low134 Ų134127.4 Ų127.481%0.81272%0.721SS**  trans-138.3127.1173.2179.20000108.4
903A31.4Very low37.6Very low95 Ų95129.4 Ų129.479%0.78573%0.726SS**PPolyproline II helixtrans-78.2154.4-171.200000114.1
904E34.6Very low39.2Very low199 Ų199125.1 Ų125.193%0.9371%0.712SS**PPolyproline II helixtrans-76.3154.9178.4-63.1-174.3116.500113.2
905L38.3Very low40.8Very low176 Ų176124.1 Ų124.192%0.92170%0.702SS**PPolyproline II helixtrans-97.5120.8-179.3-173.469.4000110.9
906E39.7Very low42.5Very low153 Ų153118.8 Ų118.872%0.71568%0.683SS**PPolyproline II helixtrans-70.5145-176.9-170.2172.9-156.400113.1
907G44.2Very low44.4Very low60 Ų60119.3 Ų119.362%0.61968%0.675SS**  trans-149.3142.8-176.800000114.9
908D57.4Low45.4Very low84 Ų84119.6 Ų119.645%0.44967%0.671SS.*PPolyproline II helixtrans-68.1136.9-173.6-65.5-31.6000113.2F917 R919D908-F917 HydrophobicContact CB-CD1 3.92Å; D908-R919 WeakPolarHBondContact OD1-CA 3.47Å; D908-R919 WeakPolarHBondContact OD1-CB 3.47Å; D908-R919 WeakPolarHBondContact OD1-CG 3.44Å; D908-R919 IonicContact OD1-NE 2.71Å
909T58Low45.9Very low101 Ų101123.1 Ų123.162%0.6267%0.669SS**EExtended strand (participates in β ladder)trans-103.1134.4180-660000111.9F917 Y918T909-F917 WeakPolarHBondContact O-CA 3.44Å; T909-Y918 PolarHBondContact N-O 2.61Å; T909-Y918 PolarHBondContact O-N 3.03Å
910L52.9Low46.7Very low87 Ų87121.9 Ų121.946%0.45567%0.665SS.*EExtended strand (participates in β ladder)trans-80.1128171.6-103.3164.4000111.3P912 F917L910-P912 WeakPolarHBondContact O-CD 3.39Å; L910-F917 HydrophobicContact CD1-CD2 4.45Å; L910-F917 HydrophobicContact CD1-CE1 3.91Å; L910-F917 HydrophobicContact CD1-CE2 3.76Å; L910-F917 HydrophobicContact CD1-CZ 3.45Å; L910-F917 VanDerWaalsContact CD1-CZ 3.45Å; L910-F917 HydrophobicContact CD2-CD2 3.86Å; L910-F917 HydrophobicContact CD2-CE2 3.9Å; L910-F917 HydrophobicContact CD2-CG 4.28Å; L910-F917 HydrophobicContact CD2-CZ 4.35Å; L910-F917 HydrophobicContact CG-CD1 3.87Å; L910-F917 HydrophobicContact CG-CD2 3.83Å; L910-F917 HydrophobicContact CG-CE1 3.69Å; L910-F917 HydrophobicContact CG-CE2 3.64Å; L910-F917 HydrophobicContact CG-CG 3.95Å; L910-F917 HydrophobicContact CG-CZ 3.58Å
911D67.8Low47Very low44 Ų44122 Ų12224%0.23566%0.661CS.*PPolyproline II helixtrans-75116.8163.416825.2000110Q913 T914 G915 L916 Y918D911-Q913 PolarHBondContact O-N 3.29Å; D911-Q913 WeakPolarHBondContact OD1-CB 3.32Å; D911-Q913 PolarHBondContact OD1-N 2.99Å; D911-T914 VanDerWaalsContact OD2-CB 3.23Å; D911-T914 WeakPolarHBondContact OD2-CB 3.31Å; D911-T914 VanDerWaalsContact OD2-CG2 3.25Å; D911-T914 WeakPolarHBondContact OD2-CG2 3.39Å; D911-T914 PolarHBondContact OD2-N 2.84Å; D911-T914 PolarHBondContact OD2-OG1 3.45Å; D911-G915 WeakPolarHBondContact O-CA 3.33Å; D911-G915 PolarHBondContact O-N 3.27Å; D911-L916 PolarHBondContact N-O 3.08Å; D911-Y918 HydrophobicContact CB-CD2 4.35Å; D911-Y918 HydrophobicContact CB-CE2 4.24Å
912P46.9Very low47.1Very low132 Ų132123 Ų12386%0.85766%0.662SS**THydrogen-bonded Turntrans-69.7-11179.331-36.9000114L910L910-P912 WeakPolarHBondContact O-CD 3.39Å
913Q40Very low47.1Very low183 Ų183120.8 Ų120.886%0.85566%0.658SS**THydrogen-bonded Turntrans-98-26.8-177.2-164.5163.8-7.200113.8D911D911-Q913 PolarHBondContact O-N 3.29Å; D911-Q913 WeakPolarHBondContact OD1-CB 3.32Å; D911-Q913 PolarHBondContact OD1-N 2.99Å
914T62.4Low47.1Very low85 Ų85122.6 Ų122.652%0.52166%0.662SS.*THydrogen-bonded Turntrans-109.8-20.1171.163.40000114.7D911 L916D911-T914 VanDerWaalsContact OD2-CB 3.23Å; D911-T914 WeakPolarHBondContact OD2-CB 3.31Å; D911-T914 VanDerWaalsContact OD2-CG2 3.25Å; D911-T914 WeakPolarHBondContact OD2-CG2 3.39Å; D911-T914 PolarHBondContact OD2-N 2.84Å; D911-T914 PolarHBondContact OD2-OG1 3.45Å; T914-L916 VanDerWaalsContact C-N 3.34Å
915G60.4Low46.9Very low50 Ų50118.8 Ų118.852%0.51566%0.657SS.*  trans76.418.5-177.600000114.5D911D911-G915 WeakPolarHBondContact O-CA 3.33Å; D911-G915 PolarHBondContact O-N 3.27Å
916L59.9Low46.3Very low104 Ų104117.8 Ų117.855%0.54565%0.653SS.*  trans-104.1144.5176.9-61177.5000110.9D911 T914D911-L916 PolarHBondContact N-O 3.08Å; T914-L916 VanDerWaalsContact C-N 3.34Å
917F68.9Low46.8Very low134 Ų134115.3 Ų115.359%0.58865%0.65SS**EExtended strand (participates in β ladder)trans-80.6136.3168.5-72.5-98.6000109.7D908 T909 L910D908-F917 HydrophobicContact CB-CD1 3.92Å; T909-F917 WeakPolarHBondContact O-CA 3.44Å; L910-F917 HydrophobicContact CD1-CD2 4.45Å; L910-F917 HydrophobicContact CD1-CE1 3.91Å; L910-F917 HydrophobicContact CD1-CE2 3.76Å; L910-F917 HydrophobicContact CD1-CZ 3.45Å; L910-F917 VanDerWaalsContact CD1-CZ 3.45Å; L910-F917 HydrophobicContact CD2-CD2 3.86Å; L910-F917 HydrophobicContact CD2-CE2 3.9Å; L910-F917 HydrophobicContact CD2-CG 4.28Å; L910-F917 HydrophobicContact CD2-CZ 4.35Å; L910-F917 HydrophobicContact CG-CD1 3.87Å; L910-F917 HydrophobicContact CG-CD2 3.83Å; L910-F917 HydrophobicContact CG-CE1 3.69Å; L910-F917 HydrophobicContact CG-CE2 3.64Å; L910-F917 HydrophobicContact CG-CG 3.95Å; L910-F917 HydrophobicContact CG-CZ 3.58Å
918Y46.3Very low45.8Very low155 Ų155119.3 Ų119.361%0.60866%0.662SS**EExtended strand (participates in β ladder)trans-108.1129.9167.4-76.9-87.5000110.1T909 D911T909-Y918 PolarHBondContact N-O 2.61Å; T909-Y918 PolarHBondContact O-N 3.03Å; D911-Y918 HydrophobicContact CB-CD2 4.35Å; D911-Y918 HydrophobicContact CB-CE2 4.24Å
919R45.4Very low44.6Very low192 Ų192122.3 Ų122.373%0.72568%0.678SS**  trans-101.8126.9177.2-173.5162.9-149.7-144.40.7109.8D908 N921D908-R919 WeakPolarHBondContact OD1-CA 3.47Å; D908-R919 WeakPolarHBondContact OD1-CB 3.47Å; D908-R919 WeakPolarHBondContact OD1-CG 3.44Å; D908-R919 IonicContact OD1-NE 2.71Å; R919-N921 PolarHBondContact O-N 2.88Å
920S40Very low44.3Very low79 Ų79123 Ų12355%0.55268%0.684SS**  trans-9181.6-170.7177.10000112.2K922S920-K922 PolarHBondContact O-N 2.84Å; S920-K922 VanDerWaalsContact O-N 3.11Å
921N34.3Very low44Very low142 Ų142124 Ų12476%0.75970%0.696SS**  trans-77.795.2174.8-81.378.3000111.6R919R919-N921 PolarHBondContact O-N 2.88Å
922K31Very low42.1Very low194 Ų194128.6 Ų128.684%0.84373%0.726SS**PPolyproline II helixtrans-93.1116.3176.4-168.3-179.4-177.5-174.60111.1S920S920-K922 PolarHBondContact O-N 2.84Å; S920-K922 VanDerWaalsContact O-N 3.11Å
923A29Very low41.3Very low87 Ų87130.8 Ų130.872%0.71973%0.725SS**PPolyproline II helixtrans-85.7147.5174.100000111.7
924P32.1Very low41.7Very low134 Ų134127.4 Ų127.487%0.8772%0.719SS**PPolyproline II helixtrans-78159.6174.833-35000112.4
925S29.6Very low40Very low118 Ų118127.8 Ų127.883%0.82573%0.731SS**  trans-129.9142.7-178.958.90000111
926D25.8Very low38.5Very low156 Ų156130.4 Ų130.483%0.83475%0.747SS**  trans-144.3169.3-170.6-14426.2000110.5
927P49.5Very low37.2Very low100 Ų100130.4 Ų130.465%0.64976%0.762SS**  -128.7177.2-79.938-24.8000114.8
928V25.2Very low35.2Very low144 Ų144132.8 Ų132.887%0.87378%0.775SS**  trans-137135.9165.5-1800000111.7
929N31.1Very low35.1Very low147 Ų147130.4 Ų130.479%0.78678%0.779SS**  trans-72.7179.5-174.5-63.2-67.2000115.7
930P52.8Low35.1Very low116 Ų116126.5 Ų126.575%0.75378%0.778SS**  cis-122.8-133-13.334.9-12.1000109.4
931P46Very low35.4Very low108 Ų108128.2 Ų128.270%0.70179%0.788SS**  cis-136.8175.6-26.536.5-17.1000117.4
932T27.9Very low35.6Very low141 Ų141126.5 Ų126.587%0.86578%0.784SS**  trans99150.1153.3-32.30000118.9
933Q30.8Very low35.5Very low177 Ų177125.4 Ų125.483%0.82779%0.786SS**  trans-110.8-174.3-157.1-79-175.3-16.600113.8
934P46.7Very low35.5Very low113 Ų113126.6 Ų126.673%0.73478%0.78SS**  cis-139.4178.5-42.838-21.6000114.4
935A27.7Very low35.3Very low93 Ų93124.6 Ų124.677%0.76977%0.766SS**  152.7133.3119.200000116.5
936A29.5Very low35.3Very low105 Ų105122.6 Ų122.687%0.86875%0.752SS**  trans52.7141.4149.100000121.3
937A32.5Very low35.4Very low104 Ų104121.4 Ų121.486%0.8674%0.741SS**  cis-155.5179.2-3.500000112.1
938Q26.4Very low34.6Very low183 Ų183118.7 Ų118.786%0.85573%0.727SS**  trans-92.2-175.8-171.7-116.1-171.14.600113.6
939P43.7Very low34.6Very low106 Ų106120.8 Ų120.869%0.68873%0.727SS**  cis-131.2-130.9-0.830.3-2.4000115
940P46.2Very low34.6Very low109 Ų109118.2 Ų118.271%0.70873%0.726SS**  -132.7-147.9-113.348.6-27.7000112.5
941P45.3Very low33.3Very low116 Ų116120.5 Ų120.575%0.75373%0.727SS**  cis-123.1-140.6-18.331.4-6000111.6
942P39.5Very low32.9Very low106 Ų106120.6 Ų120.669%0.68873%0.727SS**  -123.6179.6-96.341.5-25.8000114.5
943L28.2Very low33Very low170 Ų170119.1 Ų119.189%0.8972%0.723SS**  trans-159.7160.4132.1-106.7-178.9000111.4
944L29.2Very low32.9Very low112 Ų112121.7 Ų121.759%0.58673%0.725SS**  trans-84.2135.7-173-94.677.6000112.3
945V28.7Very low32.4Very low93 Ų93122.5 Ų122.556%0.56473%0.73SS**  73.5124.3102.2176.90000115.3Q1261V945-Q1261 VanDerWaalsContact CG1-OE1 3.31Å
946S28.8Very low32.5Very low76 Ų76124.4 Ų124.453%0.53173%0.732SS.*  trans-169.896.3155.9-83.40000114Q1261S946-Q1261 PolarHBondContact OG-O 3.5Å
947Q28.5Very low32.5Very low131 Ų131124.3 Ų124.361%0.61273%0.725SS**  trans-151136.6142.3-159.6158.6108.600113.8M1259 E1260 Q1261Q947-M1259 HydrophobicContact CG-CG 3.85Å; Q947-M1259 HydrophobicContact CG-SD 4.48Å; Q947-E1260 WeakPolarHBondContact CA-O 3.47Å; Q947-Q1261 VanDerWaalsContact N-CB 3.32Å; Q947-Q1261 VanDerWaalsContact N-CD 3.27Å; Q947-Q1261 PolarHBondContact O-NE2 2.68Å; Q947-Q1261 PolarHBondContact O-OE1 2.68Å
948A31.5Very low32.4Very low43 Ų43125 Ų12536%0.35572%0.723SS.*  trans-84170.4-134.800000122E1260 Q1261A948-E1260 HydrophobicContact CB-CB 4.05Å; A948-Q1261 HydrophobicContact CB-CB 3.88Å; A948-Q1261 HydrophobicContact CB-CG 4.43Å
949E26.6Very low32.9Very low188 Ų188122.3 Ų122.388%0.87972%0.722SS**  trans-137163.5154.7-153.4177.7144.300109.8
950A30.7Very low32.1Very low93 Ų93123 Ų12377%0.76973%0.725SS**  trans-112.5160.3-144.200000118.8
951E26.1Very low31.4Very low163 Ų163125 Ų12576%0.76272%0.724SS**  trans-156.8117141.8-133.1-66.9116.400111.8
952P37.3Very low30.8Very low110 Ų110125.9 Ų125.971%0.71472%0.718SS**  trans-99113.1-170.735-33.5000115.5
953S29Very low30.5Very low110 Ų110127 Ų12777%0.76972%0.715SS**  trans-91.7113.9177.8-87.50000115.7
954R29.1Very low30.8Very low231 Ų231124.9 Ų124.987%0.87270%0.7SS**  trans38.4127.5149.4-79.7-179.4162.2-170.9-3.6121.2
955P36.3Very low31.1Very low130 Ų130125.9 Ų125.984%0.84470%0.702SS**  trans-104.9178.4131.734.8-32000113
956V29.2Very low31.5Very low133 Ų133128.5 Ų128.581%0.80671%0.708SS**  trans-116.6138.5-166.9169.70000112.4
957S29.5Very low31.6Very low104 Ų104132.4 Ų132.473%0.72772%0.718SS**  trans175.6130.9135.7-81.20000113.9
958S30Very low31.7Very low117 Ų117134.4 Ų134.482%0.81873%0.732SS**  trans54.3158.5156.226.80000119.6
959P36.9Very low32.1Very low127 Ų127137.2 Ų137.283%0.82575%0.746SS**  cis-138.2-150.226.144.5-24.1000115.2
960T27.9Very low33.2Very low121 Ų121133.6 Ų133.674%0.74274%0.739SS**  trans-95.9165.3-161.6-190000115
961Q31.1Very low33.5Very low150 Ų150135 Ų13570%0.70174%0.741SS**  trans81.1123.3150.9-73.2-173.12500121.7
962Q32.4Very low34.1Very low135 Ų135132.7 Ų132.763%0.63174%0.74SS**  trans72.8153.4133-63.3-169.660.300118.7
963Q34.2Very low34.9Very low130 Ų130132.6 Ų132.661%0.60774%0.739SS**  cis-159147.6-8.7-120.3-17027.500113.3
964Q33.5Very low35.5Very low125 Ų125133 Ų13358%0.58474%0.739SS**  trans62.5131137.1-77.1178.122.800126
965Q36.5Very low35.6Very low134 Ų134129.7 Ų129.763%0.62673%0.733SS**  78.2157.5128.2-72.5171.618.800120.3
966Q36.4Very low35.3Very low147 Ų147129.2 Ų129.269%0.68772%0.723SS**  cis-145.1130.20.8-120.1161.759.100106.8
967Q31.2Very low35.4Very low158 Ų158130.8 Ų130.874%0.73872%0.722SS**  83119.368.8-167.5-179.311.900115.4
968L29.6Very low35.6Very low174 Ų174131.7 Ų131.791%0.91173%0.728SS**  trans-158.8121.2166.9-115.2153.9000112.6
969P41Very low35.5Very low101 Ų101135.3 Ų135.366%0.65673%0.729SS**  trans-123.9-165.4174.543.9-32.9000111.9
970P50Low35.7Very low112 Ų112134 Ų13473%0.72772%0.721SS**  cis-115.8-166.3-30.942.1-26.9000110.8
971P37Very low35.6Very low124 Ų124136.2 Ų136.281%0.80572%0.722SS**  -153.5164.479.939.5-19.1000118.1
972P38.8Very low35.5Very low114 Ų114137.2 Ų137.274%0.7473%0.731SS**  trans-124-160.3169.744.6-32.8000112.4
973P53.8Low35.4Very low108 Ų108135.4 Ų135.470%0.70173%0.733SS**  cis-117.5-166.6-43.341-24.3000111.4
974P42.2Very low35.1Very low118 Ų118138.1 Ų138.177%0.76675%0.746SS**  -140.1158.877.935.7-16.5000113.6
975Q30.6Very low35.4Very low161 Ų161138.3 Ų138.375%0.75276%0.758SS**  66.812752.1-80.1-132.2-2.900113.3
976L29.7Very low34.9Very low120 Ų120137.9 Ų137.963%0.62877%0.77SS**  cis-153.7161.933.9-92.9165.9000114.3
977Q30.5Very low34.4Very low167 Ų167136.7 Ų136.778%0.7878%0.777SS**  trans63143.1148.5-68.5160-0.100118.9
978S34.3Very low34.3Very low122 Ų122134.3 Ų134.385%0.85378%0.778SS**  cis-143.6-179.325.3-67.80000115
979K28.2Very low34.1Very low193 Ų193131 Ų13184%0.83977%0.77SS**  trans-119.7166.1-171.2164.6179.6178.6-179.30109.2
980P41.1Very low33.4Very low101 Ų101131.6 Ų131.666%0.65678%0.776SS**  cis-133.7164.29.120.55.8000119.2
981Q26.4Very low32.3Very low167 Ų167132.5 Ų132.578%0.7878%0.78SS**  trans8134.9130.8-178.8-173.610.500121.1
982I29.3Very low32.4Very low171 Ų171132.1 Ų132.188%0.87778%0.777SS**  trans-152.1167.9146.3-121.8166.6000112.7
983S28.6Very low32.4Very low97 Ų97132.3 Ų132.368%0.67878%0.779SS**  trans-102.1172.4-164.3-55.20000116
984Q29.3Very low31.1Very low186 Ų186134.3 Ų134.387%0.86978%0.783SS**  trans-14.4144.3153.9-66.7-179.4-1900117.1
985P39.1Very low30.6Very low129 Ų129135 Ų13584%0.83878%0.778SS**  -144.3178.287.240.4-25000116.5
986S25.8Very low30.5Very low126 Ų126136 Ų13688%0.88178%0.78SS**  trans-66.7157.2179.9-42.60000114.6
987S27.2Very low30.4Very low121 Ų121139.2 Ų139.285%0.84679%0.789SS**  trans-111.2149.8177.653.40000113.7
988S27.1Very low30.2Very low109 Ų109139 Ų13976%0.76279%0.792SS**  trans-154.1141.2166.460.40000110.5
989S25.7Very low30.8Very low104 Ų104137.9 Ų137.973%0.72778%0.782SS**SBendtrans56.6108.1167.860.70000119.7
990S26Very low30.6Very low113 Ų113137.9 Ų137.979%0.7978%0.782SS**  trans50.8121.8133.460.60000121.8
991T27.8Very low30.6Very low131 Ų131138.5 Ų138.580%0.80479%0.786SS**  trans-64.7173.915251.20000112.4
992P39.4Very low30.5Very low116 Ų116138.2 Ų138.275%0.75379%0.785SS**  cis-118.5176.2-10.439.8-26.4000112.5
993P37.5Very low30.2Very low118 Ų118135.8 Ų135.877%0.76677%0.773SS**  -151.4168.110339.8-24.6000115
994L28.5Very low30.1Very low151 Ų151139.1 Ų139.179%0.79178%0.778SS**  trans-144.8129.3162.9-80.9-177.2000112.8
995I30.3Very low29.8Very low131 Ų131136.1 Ų136.167%0.67277%0.772SS**  trans70.3128.1141.8-61.4171000115.4
996K29.7Very low29.1Very low182 Ų182134.2 Ų134.279%0.79177%0.768SS**  cis-158.2147.244.1-131.8142.2-153.41690112.2
997K26.1Very low30.2Very low189 Ų189134 Ų13482%0.82276%0.763SS**  trans22.4117.2154.2-56.6179.4177.2-176.50120.1
998I27.3Very low29.9Very low161 Ų161137.7 Ų137.783%0.82676%0.764SS**  54.2132.174.5-76.9172.8000114.7
999P46.9Very low30.5Very low100 Ų100137.6 Ų137.665%0.64976%0.761SS**  cis-148.4-173.8-2043.6-24.6000117.2
1000K23.6Very low30.4Very low192 Ų192140.8 Ų140.884%0.83576%0.764SS**  trans70157.6152.8-78.6-178.3176.2-177.90119
1001P41.1Very low30.7Very low114 Ų114140.7 Ų140.774%0.7476%0.761SS**  -138.2-150.3-5540-19.7000111.2
1002Q24.1Very low30.5Very low162 Ų162139.1 Ų139.176%0.75776%0.755SS**  trans107.199.2146.8-161156.815.100120.6
1003D23.3Very low29.8Very low120 Ų120138.2 Ų138.264%0.64275%0.752SS**  trans68.2143.8135.1-84.9-54.2000126.8
1004Q26.8Very low29.4Very low166 Ų166140.6 Ų140.678%0.77676%0.757SS**  trans66.1160.6145-71.5169.772.100121.7
1005T23.3Very low29.1Very low123 Ų123138.4 Ų138.476%0.75576%0.755SS**  -175.5116-54.2-92.30000109.3
1006A24.1Very low29.5Very low90 Ų90136.9 Ų136.974%0.74475%0.753SS**  trans61.9-168155.600000117.4
1007P47.4Very low29.4Very low121 Ų121136 Ų13679%0.78675%0.752SS**  -132.7-155.3-120.436.5-12000115.3
1008K22.7Very low29.5Very low199 Ų199134.7 Ų134.787%0.86575%0.746SS**  trans74.6167.1179.6-105.6-170.9174.6-175.20114.7
1009P39.6Very low29.5Very low107 Ų107133.4 Ų133.470%0.69574%0.741SS**  cis-136.8-175.3-20.438.9-20.2000116
1010Q23Very low28.5Very low170 Ų170140.3 Ų140.379%0.79475%0.754SS**  trans-18.8162.4143.4-84.2177.2-17.300119.2
1011P33.1Very low28.6Very low112 Ų112134.7 Ų134.773%0.72774%0.743SS**  cis-130.7157.344.424.20.5000115.5
1012S22.7Very low28Very low97 Ų97135.5 Ų135.568%0.67875%0.746SS**  58.113761.9900000113.5
1013S24.6Very low28.1Very low97 Ų97133.9 Ų133.968%0.67875%0.747SS**  cis-169.4-168.135.254.90000112.8
1014L28.3Very low28.2Very low169 Ų169134.4 Ų134.489%0.88576%0.755SS**  trans98135.6164.1-60.9166.3000119.9
1015S22.6Very low28.6Very low105 Ų105131.8 Ų131.873%0.73475%0.752SS**  trans-109.4-165.1-176.357.20000110
1016P40.1Very low28.8Very low99 Ų99131.1 Ų131.164%0.64375%0.748SS**  cis-119.8-170-1115.812.2000111.1
1017H27Very low28.9Very low164 Ų164134.9 Ų134.976%0.75975%0.75SS**  cis-167.117542.9-92.8-95.8000109.6
1018K27.9Very low28Very low161 Ų161136.2 Ų136.270%0.775%0.751SS**  cis-172.8144.7-36.1-176.5166.5-174.8175.60110.4
1019D26.8Very low28.4Very low133 Ų133130.9 Ų130.971%0.71174%0.743SS**  trans-5.4147165-35.5-38.6000122.4
1020R26.5Very low28Very low245 Ų245129.8 Ų129.893%0.92574%0.743SS**  154.4137.1114.8-171.6172.8-171.6150.43110.7
1021A25.6Very low28.3Very low74 Ų74131 Ų13161%0.61275%0.746SS**  cis-144.5153.2-7.300000106.9
1022V27.8Very low27.9Very low132 Ų132131.3 Ų131.380%0.875%0.746SS**  65.891.253.5-174.20000114.4
1023T27.7Very low28.7Very low127 Ų127132.4 Ų132.478%0.77975%0.751SS**  trans168.5123139.537.50000108.8
1024V23.7Very low29Very low132 Ų132133.4 Ų133.480%0.875%0.753SS**  57.1127.873.8176.50000112.6
1025P36.5Very low29.7Very low110 Ų110130.4 Ų130.471%0.71474%0.744SS**  cis-134.9-150.8-18.937-15.9000112.6
1026T27.7Very low30.1Very low110 Ų110131.2 Ų131.268%0.67574%0.744SS**  trans108.2112.7147.4-31.20000118.2
1027Q26Very low29.8Very low168 Ų168132.1 Ų132.179%0.78575%0.748SS**  trans2.6146.3130.5-64163-14.800116.9
1028N28.7Very low30.7Very low150 Ų150129.1 Ų129.180%0.80274%0.743SS**  -159.5170.463-131-24.8000116.2
1029A30.1Very low30.7Very low86 Ų86126.7 Ų126.771%0.71174%0.742SS**  trans-75.4179.5178.500000112.5
1030A30.9Very low30.7Very low84 Ų84129.9 Ų129.969%0.69475%0.75SS**  cis-156.3-177.317.900000110.6
1031K29.8Very low30.6Very low195 Ų195124.3 Ų124.385%0.84874%0.743SS**  cis-158.1158.922.5-143.5158.9-170.1177.20113
1032T25.2Very low31.4Very low120 Ų120126 Ų12674%0.73675%0.748SS**  trans-66.3174.6171.326.20000113.8
1033P39.7Very low31.4Very low120 Ų120125.9 Ų125.978%0.77975%0.747SS**  cis-139.1172.42234.1-10.5000120.9
1034T31.1Very low31.5Very low118 Ų118125.5 Ų125.572%0.72475%0.745SS**  trans-48.4179.1159.348.70000116.5
1035P42.6Very low32.7Very low106 Ų106124.2 Ų124.269%0.68874%0.739SS**  cis-138.8151.612.323.92.1000120.3
1036T31.1Very low32.1Very low121 Ų121127.4 Ų127.474%0.74274%0.744SS**  40164.5128.380.30000122.7
1037T32.5Very low32.4Very low118 Ų118129.3 Ų129.372%0.72475%0.75SS**  cis-172.8172.416.51.10000108.5
1038P47.3Very low33.2Very low102 Ų102126 Ų12666%0.66274%0.743SS**  cis-144.3-163.6-48.340.2-18.5000115.7
1039T27.7Very low33.2Very low110 Ų110127.6 Ų127.668%0.67574%0.742SS**  trans89.5110.1144.740.10000124.9
1040K27.4Very low33.1Very low200 Ų200130.3 Ų130.387%0.8774%0.744SS**  88.6150.1129.6-75.6177178.6-179.60122.2
1041T23.9Very low33.1Very low128 Ų128132.8 Ų132.879%0.78574%0.741SS**  trans-108.1-169.6179.7570000109.3
1042P42.8Very low33.2Very low110 Ų110131.5 Ų131.571%0.71474%0.739SS**  cis-135.3-158.8-9.326.9-0.7000114.2
1043V27.1Very low33.3Very low128 Ų128130 Ų13078%0.77674%0.739SS**  trans82.3138.7153.7-127.90000122.4
1044T29.3Very low33.4Very low120 Ų120129.6 Ų129.674%0.73674%0.736SS**  trans-83.4-161.115549.60000110.2
1045P49.2Very low33.3Very low104 Ų104129.3 Ų129.368%0.67574%0.739SS**  cis-128-161.6-22.127.6-3.6000112.6
1046Q25Very low32.5Very low177 Ų177129.2 Ų129.283%0.82774%0.741SS**  trans110.6135.6132-156.6167.4-13.900121.2
1047L32.6Very low32.5Very low151 Ų151131.8 Ų131.879%0.79174%0.744SS**  trans-43.9171.7159.6-101.567.9000115.1
1048P43.5Very low32.5Very low99 Ų99134.8 Ų134.864%0.64375%0.749SS**  cis-150.4176.227.542.6-22.3000119.9
1049K27.7Very low31.8Very low182 Ų182139.4 Ų139.479%0.79175%0.754SS**  trans63.8145.5140.6-80.1168.3-179.61790122.3
1050L29.5Very low32.4Very low143 Ų143139.5 Ų139.575%0.74976%0.756SS**  trans39.5139150.8-75.779.9000118.9
1051Q30.6Very low32.5Very low136 Ų136135.4 Ų135.464%0.63674%0.743SS**  -179.5147.373.6-169.294.7-1.400110.8
1052Q30.8Very low32.8Very low168 Ų168137.7 Ų137.779%0.78574%0.744SS**  trans35.1133.5150.8-71.5160.6-27.200123.3
1053A27.7Very low32.3Very low90 Ų90136.7 Ų136.774%0.74475%0.745SS**  trans-75.4-177.1153.800000110.3
1054P42.2Very low32.9Very low110 Ų110136 Ų13671%0.71474%0.744SS**  cis-154.8-177.33244.9-22.7000119.9
1055S28Very low32.8Very low113 Ų113137.9 Ų137.979%0.7975%0.746SS**  trans83161.9138.376.60000123
1056S27.6Very low31.9Very low104 Ų104138 Ų13873%0.72775%0.749SS**  trans83.799.6174.3-145.90000116.6
1057H29.6Very low32.2Very low175 Ų175137.4 Ų137.481%0.8175%0.746SS**  61.3106.972.1-77.2-62.7000116
1058H32.8Very low32.5Very low181 Ų181136.1 Ų136.184%0.83875%0.747SS**  -165.6161.8104.8-121.4-85.7000114.2
1059R33.3Very low32.1Very low199 Ų199137.2 Ų137.275%0.75175%0.754SS**  trans-132138.9165.2-166.9-168.5-160.4-140.68.6108.4
1060P40.4Very low32.7Very low111 Ų111133.8 Ų133.872%0.72175%0.75SS**  -141-174.8125.619.53000111.9
1061L29.4Very low32.8Very low114 Ų114134.3 Ų134.360%0.59775%0.753SS**  -168.4149.8-58.6-106.3172.9000108.4
1062H30Very low32.7Very low177 Ų177136.2 Ų136.282%0.81976%0.762SS**  trans66161.5166.1-62.9-64.9000121.6
1063A31.8Very low32.5Very low88 Ų88132.6 Ų132.673%0.72776%0.76SS**  trans-125.5-176.817500000108.3
1064P39.7Very low32.5Very low115 Ų115135.6 Ų135.675%0.74776%0.759SS**  -162.4176.178.344.9-24.2000118.7
1065M28Very low31.9Very low159 Ų159137.5 Ų137.578%0.78376%0.758SS**  trans63171.6158.7-45.4-131.475.800116.7
1066S30.2Very low32.4Very low107 Ų107138.5 Ų138.575%0.74876%0.761SS**  cis-148.4177.712.5-55.60000113.3
1067H30.4Very low32.3Very low164 Ų164139 Ų13976%0.75976%0.76SS**  trans-60.5157.3179.7-50.6-100.9000117
1068P38.7Very low32Very low123 Ų123135.7 Ų135.780%0.79976%0.756SS**  trans-94.1133.7166.235-31000114.1
1069P36.3Very low31.9Very low122 Ų122133 Ų13379%0.79275%0.753SS**  trans-95179.5171.837.6-34.2000113.7
1070P39.7Very low31.5Very low110 Ų110132.6 Ų132.671%0.71476%0.76SS**  trans-113.4160.6-156.241.3-35.1000118.6
1071L31.2Very low30.9Very low155 Ų155135.6 Ų135.681%0.81276%0.761SS**  trans55.4145.3141.3-67.8174.3000124.4
1072Q28.3Very low31.7Very low176 Ų176135.9 Ų135.982%0.82277%0.77SS**  trans74115.4154.4-73.8173.5-10200122.7
1073A26.7Very low31.4Very low91 Ų91131.3 Ų131.375%0.75276%0.763SS**  trans-179.6120.4142.200000108.6
1074H27.4Very low31.2Very low154 Ų154132.7 Ų132.771%0.71377%0.767SS**  95.9101.468.1-82.7-64.2000115.5
1075H29.6Very low30.7Very low150 Ų150132 Ų13269%0.69477%0.765SS**  trans54.2160150.1-44.8-60.5000121.1V1077H1075-V1077 HydrophobicContact CB-CG2 4.5Å
1076P40.1Very low30.7Very low133 Ų133133.3 Ų133.386%0.86477%0.769SS**  -125.7-169.679.739.9-31.8000115
1077V23.9Very low30.4Very low116 Ų116136 Ų13670%0.70377%0.77SS**  trans-138.7144.5-162.6169.40000113.3H1075H1075-V1077 HydrophobicContact CB-CG2 4.5Å
1078S24.5Very low31.3Very low104 Ų104133 Ų13373%0.72777%0.765SS**  trans-171.3110.6149.9-760000108.1
1079T30.8Very low30.7Very low124 Ų124133.8 Ų133.876%0.76176%0.761SS**  58.3132.298540000114.8
1080E23.7Very low30.4Very low192 Ų192135.2 Ų135.290%0.89776%0.76SS**  cis-143.7179.318.7-158.1168.311400113.5
1081K29.6Very low29.9Very low174 Ų174135 Ų13576%0.75776%0.757SS**  trans-93.4-179.9178.8-117.9-165.1175.5-179.90111.6
1082P45.2Very low29.7Very low120 Ų120133.2 Ų133.278%0.77975%0.745SS**  cis-87.8-163.55.740.4-39.1000111.9
1083A24.6Very low29.8Very low81 Ų81128 Ų12867%0.66973%0.727SS**  cis-140-149.75.200000109.1
1084S27.3Very low30.1Very low117 Ų117125.3 Ų125.382%0.81871%0.705SS**  cis-155178.6-8.1-153.30000111
1085S28.7Very low30.5Very low100 Ų100122.3 Ų122.370%0.69970%0.698SS**  trans-90.7160.5167.7-61.20000111.1
1086Q27.9Very low30.4Very low187 Ų187120.6 Ų120.687%0.87470%0.698SS**  cis-155.6156.71.3-132.9163.71.600110.7
1087Q24.6Very low29.9Very low163 Ų163119 Ų11976%0.76269%0.686SS**  trans-86.7174.7161.7-84.7-166.63.800109.7
1088P48.5Very low30Very low102 Ų102121.9 Ų121.966%0.66269%0.689SS**  cis-156.6160.831.447-25.4000121.8
1089I26.9Very low30.3Very low139 Ų139123 Ų12371%0.71369%0.686SS**  64.9159.2127.8-65.5172.1000122.8
1090I29.4Very low30.3Very low151 Ų151122.2 Ų122.277%0.77468%0.681SS**  trans81.4159.4165.1-86.6151.8000117.9
1091T28.3Very low30.7Very low106 Ų106122.4 Ų122.465%0.6568%0.679SS**  -163.2154.5-8114.40000111.1
1092Q28.3Very low30.6Very low118 Ų118117.7 Ų117.755%0.55168%0.68SS**  trans60.4133.2154.2-68.9-173.788.500122.6
1093S28.8Very low29.7Very low65 Ų65117.5 Ų117.546%0.45568%0.681SS.*  trans67.7166.614277.70000118.8S271S271-S1093 WeakPolarHBondContact OG-CB 3.26Å
1094A34Very low29.8Very low35 Ų35117.9 Ų117.929%0.28968%0.679SS.*  cis-170.7173.7-33.800000111.3S271 P272 V273S271-A1094 WeakPolarHBondContact OG-CB 3.32Å; P272-A1094 WeakPolarHBondContact O-CB 3.39Å; V273-A1094 HydrophobicContact CG2-CB 4.34Å
1095T34.9Very low29.8Very low92 Ų92119.8 Ų119.856%0.56468%0.675SS**  trans74151.715323.30000124.2
1096V27.6Very low29.8Very low113 Ų113122.9 Ų122.969%0.68568%0.678SS**  trans78.4172.3151.5172.90000119.3K274K274-V1096 PolarHBondContact NZ-O 3.26Å
1097T30.4Very low30.1Very low100 Ų100119.8 Ų119.861%0.61367%0.673SS**  -162.4162-122.9-54.80000114.3K274K274-T1097 PolarHBondContact NZ-OG1 3.11Å
1098K26.9Very low30.1Very low176 Ų176118 Ų11877%0.76567%0.674SS**  trans95.6154.6145.1-136.9-165.1179.2-176.30119
1099I29.6Very low29.5Very low128 Ų128118.6 Ų118.666%0.65668%0.678SS**  trans51.3118.3162.151.8175.8000120.5
1100T31.6Very low29.3Very low107 Ų107117.7 Ų117.766%0.65668%0.678SS**  85.9143.868.8-51.60000114.4
1101F31.6Very low29Very low197 Ų197119.9 Ų119.986%0.86468%0.683SS**  trans79136.7176.7-46.5-73.2000116.2
1102G28.2Very low28.8Very low75 Ų75120 Ų12077%0.77369%0.688SS**  cis173.6-173.9-8.400000114.1
1103S24.6Very low28.8Very low116 Ų116119.9 Ų119.981%0.81170%0.7SS**  trans93.4129.9159.7-153.10000122.9
1104S27.5Very low28.8Very low88 Ų88120 Ų12062%0.61571%0.711SS**  trans65.2101.4137.356.50000125.5
1105H28.2Very low28.5Very low158 Ų158127.5 Ų127.573%0.73174%0.74SS**  70.3115.3114-67-60.8000125.3
1106H27.6Very low28.3Very low165 Ų165127.4 Ų127.476%0.76475%0.749SS**  trans54156138.859.2-146.6000122
1107P33.5Very low28.3Very low121 Ų121126.6 Ų126.679%0.78675%0.754SS**  cis-129.8-177.513.843.8-27.9000117.3
1108T26.7Very low28.2Very low127 Ų127125.9 Ų125.978%0.77976%0.758SS**  trans-91.4166.816757.10000111.2
1109P35.6Very low28.3Very low113 Ų113126.6 Ų126.673%0.73476%0.761SS**  -158.417697.840-19.6000117.9
1110V22.9Very low28.1Very low120 Ų120127.1 Ų127.173%0.72777%0.765SS**  trans58.9129.7165.2-129.30000118
1111F22.4Very low27.7Very low197 Ų197129 Ų12986%0.86477%0.77SS**  cis78.5153.732.8-87.3-87000117.8
1112S24.7Very low27.8Very low108 Ų108124.5 Ų124.576%0.75576%0.761SS**  trans74.3150.9159.9-73.50000118.7
1113S26.7Very low27.5Very low117 Ų117129.4 Ų129.482%0.81876%0.764SS**  cis-167.6168.6-14.7-176.40000110.4
1114G30.1Very low27.6Very low66 Ų66129.3 Ų129.368%0.6876%0.763SS**  trans84.2119165.700000114.1
1115E26.8Very low27.4Very low194 Ų194130.4 Ų130.491%0.90777%0.77SS**  cis71.59325.5-156.5-17114200116.3
1116A31.1Very low27.2Very low90 Ų90128.2 Ų128.274%0.74477%0.773SS**  trans-162.1124138.300000105.9
1117A28.5Very low27.2Very low96 Ų96123.6 Ų123.679%0.79377%0.77SS**  56.1122.861.800000111.7
1118A28.2Very low27.3Very low85 Ų85123.7 Ų123.770%0.70277%0.771SS**  cis-142.5164.52600000112.9
1119K27.6Very low27.3Very low190 Ų190123.7 Ų123.783%0.82678%0.776SS**  43.8134.8106.7-62.6-168.4169.7-1760116
1120L25.5Very low26.9Very low139 Ų139121.5 Ų121.573%0.72877%0.774SS**  cis-160176.42.9-115.7171.5000111.5
1121L24.4Very low27Very low146 Ų146122.2 Ų122.276%0.76477%0.773SS**  trans-46.6172.5161.6-52165.7000113.7
1122P34.1Very low27.4Very low104 Ų104120.7 Ų120.768%0.67577%0.766SS**  cis-114.8-136.5-4.723.91.6000108.9
1123E21.7Very low28Very low178 Ų178121.6 Ų121.683%0.83277%0.769SS**  cis-157.1178.10.1-157.4132.175.200111.7
1124S26.9Very low28.1Very low113 Ų113121.3 Ų121.379%0.7977%0.768SS**  trans-114.6146.1-173.5-53.40000113.4
1125S23.1Very low28.1Very low111 Ų111124 Ų12478%0.77677%0.771SS**  trans-166.5116.6137.9540000109.1
1126S24Very low28.2Very low113 Ų113118.8 Ų118.879%0.7976%0.756SS**  85.5125.999.3730000114.9
1127G27.3Very low28.2Very low67 Ų67120.8 Ų120.869%0.69175%0.754SS**  trans-71.3-167.8168.800000113.3
1128P34.7Very low28.4Very low124 Ų124122.6 Ų122.681%0.80575%0.749SS**  cis-112.215745.9320.7000113.2
1129S26.5Very low28.8Very low127 Ų127124.6 Ų124.689%0.88875%0.747SS**  69.5119.259.3-165.10000114.6
1130G26.9Very low28.8Very low67 Ų67123.2 Ų123.269%0.69174%0.741SS**  trans15493170.200000114.8
1131D27Very low29Very low134 Ų134125.2 Ų125.272%0.71775%0.751SS**  trans39.1141.9138.7-69.1-15.4000122
1132K30Very low29.5Very low166 Ų166122.5 Ų122.572%0.72274%0.744SS**  cis-157.9167.31.3-115.5167.2179.870.20108.4
1133P36.4Very low29.3Very low126 Ų126125.6 Ų125.682%0.81875%0.751SS**  trans-81.2150.4-16732.9-35.3000113.9
1134S29.2Very low29.8Very low112 Ų112122.9 Ų122.978%0.78374%0.74SS**  trans-137.4136.8159.2-172.10000111.4
1135V29.4Very low30.1Very low123 Ų123125.6 Ų125.675%0.74574%0.74SS**  trans-40.1150.8149.5-130.40000110.2
1136S29.2Very low30.6Very low84 Ų84124.1 Ų124.159%0.58774%0.735SS**  cis-158.8176.228.4-39.20000115.3
1137D32.1Very low30.7Very low131 Ų131127.2 Ų127.270%0.70174%0.737SS**  trans78.4123.5133-71.4-10.8000120.7
1138I33Very low30.8Very low135 Ų135131.2 Ų131.269%0.69274%0.741SS**  87.2140.492.1-73.7179.3000112
1139L35.4Very low30.4Very low127 Ų127132.2 Ų132.267%0.66574%0.739SS**  cis-162.6178.8-10.5-112.9-178.3000109.3
1140K28.5Very low31.2Very low161 Ų161131.1 Ų131.170%0.773%0.729SS**  trans54.4119.6147.5-74.9167.5178.2178.80119.1
1141I29.1Very low31.3Very low181 Ų181132.7 Ų132.793%0.92873%0.73SS**  -94.9146.4120.847.7173.2000108.5
1142S34.1Very low31.6Very low89 Ų89131.7 Ų131.762%0.62273%0.729SS**  trans-148.5138.6-169-1790000110.1
1143M31Very low31.6Very low169 Ų169131.6 Ų131.683%0.83373%0.731SS**  trans-157.3142.1169.4-80.1-15578.200110
1144M32.4Very low31.4Very low120 Ų120131.6 Ų131.659%0.59173%0.73SS**  cis-163.9122.1-18.6-156.869.516600109.6
1145E34Very low31.4Very low170 Ų170133.7 Ų133.779%0.79473%0.73SS**  trans55.5173.3148-62.6176.5143.400118.1
1146A32.2Very low31.3Very low81 Ų81134.1 Ų134.167%0.66973%0.733SS**  cis-147.7170.7900000113.8
1147E26.7Very low31.3Very low178 Ų178136 Ų13683%0.83274%0.74SS**  trans70146.3154.7-64-175.112800122.5
1148I29Very low30.8Very low150 Ų150135.9 Ų135.977%0.76974%0.74SS**  cis-161.5134.7-46-124.5170.3000111.6
1149D27.3Very low30.8Very low146 Ų146134 Ų13478%0.78174%0.739SS**  trans59.8-172.6144.3-136.733.7000118.9
1150P43.1Very low30.6Very low104 Ų104133.4 Ų133.468%0.67575%0.745SS**  -130.4168.1-101.542.2-27.1000117.1
1151S27.3Very low30.5Very low100 Ų100130.5 Ų130.570%0.69975%0.745SS**  trans-154.9140152.3-176.30000112.9
1152T33.4Very low30.3Very low113 Ų113127 Ų12769%0.69373%0.728SS**  trans57.899.8153.941.30000120
1153E30.2Very low30Very low164 Ų164132.7 Ų132.777%0.76674%0.736SS**  60.2120129.9-60-176.9161.500121.8
1154P32.5Very low29.8Very low125 Ų125127.5 Ų127.581%0.81273%0.726SS**  trans-105.5112137.633-24.3000110.5V1156P1154-V1156 PolarHBondContact O-N 3.24Å
1155M29.2Very low30.1Very low157 Ų157127.3 Ų127.377%0.77373%0.733SS**  trans-66.2124.1167.8-82.8-177.562.300110.5V1157M1155-V1157 HydrophobicContact CE-CG2 3.83Å
1156V28.6Very low29.9Very low132 Ų132127.2 Ų127.280%0.874%0.737SS**  trans-100.1120.3158.5178.10000108P1154P1154-V1156 PolarHBondContact O-N 3.24Å
1157V27.9Very low29.8Very low122 Ų122127.1 Ų127.174%0.73974%0.744SS**  trans-129.2129.5160.5177.60000107M1155M1155-V1157 HydrophobicContact CE-CG2 3.83Å
1158D22.5Very low30Very low130 Ų130127.7 Ų127.770%0.69574%0.744SS**  trans-129.7144.8-178.6-178.34000108.7
1159S31.9Very low29.9Very low96 Ų96126.4 Ų126.467%0.67174%0.743SS**  trans66154.6164.1-67.60000116.7
1160S31Very low29.9Very low114 Ų114126.2 Ų126.280%0.79774%0.741SS**  cis-174.3179.248.8-162.30000114.6
1161S28.3Very low29Very low100 Ų100127.7 Ų127.770%0.69974%0.744SS**  trans71.2133.4171.2-81.70000118.2
1162D24.3Very low29Very low108 Ų108128.3 Ų128.358%0.57874%0.743SS**SBendcis-149.2156.510.1-122.5-42.7000109.7
1163R28.4Very low28.7Very low208 Ų208131.4 Ų131.479%0.78575%0.75SS**  cis-150.7161.68.3-170.6157.3-71.9170.13.4111.5
1164G26.2Very low28.5Very low60 Ų60128.8 Ų128.862%0.61975%0.749SS**  trans-76.2-168167.800000114.2
1165P39.2Very low28.3Very low116 Ų116127.5 Ų127.575%0.75374%0.739SS**  cis-145.4174.233.343.2-24.7000118.8
1166L28.6Very low28.3Very low168 Ų168122.1 Ų122.188%0.8872%0.717SS**  trans58.2121.4146.7-84.2154.4000121.2
1167G29.7Very low28.1Very low79 Ų79118.6 Ų118.681%0.81471%0.707SS**  trans166.986.5159.600000118.6
1168K31Very low28.5Very low190 Ų190116.4 Ų116.483%0.82669%0.694SS**  trans-52.8149.3178.4-47.5164.6-171174.60115.5
1169T28.3Very low28.7Very low122 Ų122118 Ų11875%0.74870%0.702SS**  trans-0145.6144.352.20000118.9
1170L26.7Very low28.4Very low142 Ų142119.6 Ų119.674%0.74370%0.703SS**  cis-172.6163.242-126.7154.2000111.7
1171D25Very low28.2Very low136 Ų136119.6 Ų119.673%0.72770%0.703SS**  trans34.3143.5150.7-95.2-33000126.1
1172V26.8Very low28.2Very low112 Ų112117.5 Ų117.568%0.67970%0.696SS**  trans67.7114138.4169.70000121
1173Q25.8Very low28.5Very low179 Ų179120.3 Ų120.384%0.83671%0.706SS**  50.1117.9127.6-141.9171.746.600117.6
1174S26Very low28.7Very low109 Ų109116.6 Ų116.676%0.76270%0.696SS**  -179.5165.66952.20000114.7
1175V28.2Very low29.1Very low98 Ų98120.9 Ų120.959%0.59470%0.703SS**  trans-16.2143.9145.91630000115.6M562M562-V1175 HydrophobicContact CE-CG1 3.92Å; M562-V1175 HydrophobicContact CE-CG2 4.41Å; M562-V1175 HydrophobicContact CG-CG1 3.7Å; M562-V1175 HydrophobicContact SD-CG1 3.87Å
1176S29.4Very low28.6Very low44 Ų44120.3 Ų120.331%0.30870%0.702SS.*  cis177.1155.2-15.1173.70000106.5P561 M562 T563P561-S1176 CarbonylContact C-O 3.43Å; M562-S1176 WeakPolarHBondContact CA-O 3.13Å; M562-S1176 WeakPolarHBondContact CA-OG 3.29Å; M562-S1176 PolarHBondContact N-O 3.37Å; T563-S1176 PolarHBondContact N-OG 2.98Å; T563-S1176 PolarHBondContact O-OG 2.87Å
1177G26Very low28.8Very low57 Ų57116.9 Ų116.959%0.58869%0.692SS**  trans-169.6144.6170.300000114.8P561P561-G1177 VanDerWaalsContact O-CA 3.29Å; P561-G1177 WeakPolarHBondContact O-CA 3.48Å
1178T35Very low28.9Very low76 Ų76119.1 Ų119.147%0.46670%0.695SS.*  trans-110.6151172.3460000111T563T563-T1178 HydrophobicContact CG2-CG2 3.76Å; T563-T1178 WeakPolarHBondContact OG1-CG2 3.24Å
1179L27.7Very low28.8Very low164 Ų164113.8 Ų113.886%0.85969%0.694SS**  -158.8140.3123-105.8165.3000111.9
1180D24.3Very low28.8Very low130 Ų130113 Ų11370%0.69570%0.7SS**  trans25.7117.9138.7-164.636.1000120.7
1181S28.6Very low28.9Very low114 Ų114111.2 Ų111.280%0.79770%0.7SS**  -160.7126.3109.6-78.30000110.5
1182G26.5Very low29.2Very low55 Ų55111.5 Ų111.557%0.56770%0.7SS**  trans-87.1-144.9155.900000110.7
1183Q31.6Very low29.1Very low167 Ų167117.4 Ų117.478%0.7871%0.71SS**  trans75.3137.3171.8-52-166.119.500115.1
1184F33.2Very low29.2Very low130 Ų130117.4 Ų117.457%0.5771%0.709SS**  cis-162.3160.5-9.9-119.9-31000113.1V390V390-F1184 HydrophobicContact CG1-CZ 4.33Å
1185I34.5Very low29.9Very low150 Ų150117.5 Ų117.577%0.76971%0.707SS**  trans31138158.131.8167.9000120.5
1186S28.6Very low29.9Very low104 Ų104122.3 Ų122.373%0.72772%0.72SS**  -165.8167.674.4-144.40000118.2
1187S32.8Very low30.9Very low96 Ų96125.5 Ų125.567%0.67174%0.74SS**  trans75.397.9150.6-61.10000123.1
1188S30.8Very low30.9Very low126 Ų126130.9 Ų130.988%0.88175%0.749SS**  73.2133.8115.4-55.50000123.2
1189G29.2Very low30.5Very low78 Ų78133.7 Ų133.780%0.80476%0.757SS**  trans164.572.1162.300000119.7
1190A29.2Very low30.4Very low105 Ų105134.6 Ų134.687%0.86876%0.755SS**  trans40.898.5152.900000123.2
1191S27.7Very low30.5Very low106 Ų106134 Ų13474%0.74176%0.761SS**  trans-49.4169.2137.8-760000114.1
1192I31Very low30.4Very low142 Ų142134.1 Ų134.173%0.72876%0.76SS**  cis-171.2155.1-2.9-106.7164.7000108
1193R25.9Very low30.4Very low235 Ų235137 Ų13789%0.88777%0.766SS**  trans-176.8142.9132.6-102.3176.8-152-108.86.8115
1194H27.8Very low30.1Very low180 Ų180137.1 Ų137.183%0.83377%0.767SS**  trans-115.6-166.8157.6-56.9-80.2000106.5
1195P40.8Very low29.8Very low110 Ų110133.9 Ų133.971%0.71477%0.771SS**  cis-147.1-175.80.845.3-25.7000118.4
1196K27.5Very low29.4Very low200 Ų200135.3 Ų135.387%0.8778%0.779SS**  trans74.4161.1147.3-84.7-179176.5-173.20122
1197P49.8Very low29.3Very low110 Ų110134.8 Ų134.871%0.71478%0.781SS**  trans-123.6162.9-175.142.7-29.9000116.2
1198Q25.7Very low29.1Very low170 Ų170134.8 Ų134.879%0.79479%0.786SS**  trans-174.6146.7147-113.5173.1-66.900115.8
1199Q26.6Very low28.9Very low136 Ų136138.2 Ų138.264%0.63679%0.789SS**  trans27.7134.2142.6-77.2174.1-85.900125.6
1200F26.8Very low28.9Very low182 Ų182139 Ų13980%0.79878%0.782SS**  trans61155.5139.4-71.8-64000123
1201S26.4Very low28.9Very low119 Ų119139 Ų13983%0.83278%0.775SS**  trans67.6151.5170.6-88.70000117.2
1202C26.3Very low28.9Very low115 Ų115142.2 Ų142.278%0.77778%0.776SS**  cis-153.4-176-18.7-158.10000109.2
1203V25.8Very low28.9Very low115 Ų115141.8 Ų141.870%0.69778%0.775SS**  trans-80.5178.7-177.8-72.50000114.7
1204Q25.9Very low29.1Very low170 Ų170137.8 Ų137.879%0.79477%0.772SS**  trans70.4136.9-176.4-91.768.820.300116
1205G26.7Very low29.5Very low63 Ų63136.6 Ų136.665%0.64977%0.77SS**  cis119.8108.7-10.600000114.6
1206L25.9Very low29.1Very low180 Ų180138.2 Ų138.294%0.94277%0.768SS**  trans65.6154.7173-52.5173.8000116.1
1207A26.5Very low29.4Very low92 Ų92136 Ų13676%0.7677%0.772SS**  cis-168.8137.5-32.300000108.7
1208A28.2Very low28.6Very low96 Ų96137.1 Ų137.179%0.79377%0.77SS**  trans-162.1109.5166.100000112.6
1209Q27.7Very low28.6Very low198 Ų198137 Ų13793%0.92577%0.769SS**  trans33.2146.5147.1-49.6-15650.200121.1
1210S28.2Very low28.7Very low96 Ų96135.9 Ų135.967%0.67177%0.772SS**  cis-151.7161.527.853.90000114
1211S28.8Very low29.1Very low103 Ų103134.8 Ų134.872%0.7277%0.772SS**  trans27.6107.115856.40000118.9
1212K28.2Very low29.9Very low175 Ų175133.8 Ų133.876%0.76176%0.763SS**  70.5109.956.4-174.7179.1165.71680113.8
1213D31.6Very low29.9Very low133 Ų133137 Ų13771%0.71177%0.767SS**  -167.3157.6100.7-101.1-50.6000110.5
1214D29.7Very low30.1Very low151 Ų151137.9 Ų137.981%0.80776%0.761SS**  trans-85.2152.2-176.3-71-69.3000113.1
1215L36.3Very low30.2Very low154 Ų154131.9 Ų131.981%0.80674%0.738SS**  trans-134.6101.3163.1-93.2101.1000113
1216E31.7Very low30.3Very low145 Ų145132.9 Ų132.968%0.67873%0.728SS**  46.8107126.8-61.1-179.1170.600119.6I1218E1216-I1218 HydrophobicContact CB-CD1 4.18Å; E1216-I1218 HydrophobicContact CB-CG1 4.1Å; E1216-I1218 VanDerWaalsContact CD-CD1 3.48Å; E1216-I1218 HydrophobicContact CG-CD1 3.82Å; E1216-I1218 HydrophobicContact CG-CG1 4.11Å
1217V34.8Very low30.7Very low154 Ų154132 Ų13293%0.93372%0.723SS**  trans-113.1100.4137.4177.70000106.7
1218I32.8Very low31.2Very low132 Ų132133.3 Ų133.368%0.67772%0.724SS**  trans-85.9147-173.8-77.4173.6000112.1E1216E1216-I1218 HydrophobicContact CB-CD1 4.18Å; E1216-I1218 HydrophobicContact CB-CG1 4.1Å; E1216-I1218 VanDerWaalsContact CD-CD1 3.48Å; E1216-I1218 HydrophobicContact CG-CD1 3.82Å; E1216-I1218 HydrophobicContact CG-CG1 4.11Å
1219E26.7Very low31.3Very low168 Ų168135.3 Ų135.379%0.78572%0.721SS**  trans-96.2-172.7-175.5-166.3-165.2149.600111.6
1220V27.3Very low31.4Very low113 Ų113131.1 Ų131.169%0.68571%0.714SS**  trans8078.3158.7-167.90000118.2
1221I35.1Very low31.5Very low158 Ų158130.9 Ų130.981%0.8171%0.712SS**  -23.5142.3126.9-12.4172.3000112.5
1222P43.4Very low31.5Very low98 Ų98135 Ų13564%0.63672%0.72SS**  -160.3165.976.737.5-14.7000118.4
1223Q27.6Very low31.4Very low183 Ų183130.8 Ų130.886%0.85571%0.713SS**  177150.1106.5-90-171.613.100112.6
1224F28.5Very low31.2Very low134 Ų134131 Ų13159%0.58871%0.713SS**  trans-103.1168.5-171.3-82.3-99.2000112.7V15 N721V15-F1224 HydrophobicContact CB-CE1 4.15Å; V15-F1224 HydrophobicContact CB-CZ 4.16Å; N721-F1224 PolarHBondContact ND2-O 2.68Å; N721-F1224 VanDerWaalsContact ND2-O 3.11Å
1225S27.6Very low31.3Very low43 Ų43130.5 Ų130.530%0.30172%0.716SS.*  170.4148.9103.2-71.50000116.7S720 N721S720-S1225 WeakPolarHBondContact CB-O 3.39Å; S720-S1225 PolarHBondContact OG-O 3.36Å; N721-S1225 PolarHBondContact N-O 3.45Å; N721-S1225 PolarHBondContact OD1-O 3.39Å
1226I29Very low31.1Very low85 Ų85128.9 Ų128.944%0.43671%0.712SS.*  trans65.2107.5140.2-75.7160.8000118.4S720 N721S720-I1226 WeakPolarHBondContact CA-O 3.49Å; S720-I1226 PolarHBondContact OG-O 3.43Å; N721-I1226 PolarHBondContact N-O 3.36Å
1227L34.9Very low31.1Very low162 Ų162128.7 Ų128.785%0.84872%0.72SS**  trans-66.8156.1140.6-77.6157.5000110.5
1228P36.9Very low31.1Very low119 Ų119128.4 Ų128.477%0.77371%0.709SS**  trans-113.4139136.934.1-29.5000111.9
1229D31.5Very low31.8Very low137 Ų137128.1 Ų128.173%0.73372%0.716SS**  trans-94.5135.5163.917428.1000109.9
1230S29Very low32.1Very low110 Ų110124.7 Ų124.777%0.76971%0.71SS**  trans167.6109.7161.2-77.30000106.1
1231S30.8Very low32.4Very low91 Ų91122.5 Ų122.564%0.63671%0.711SS**  62.4127.656.2-61.60000114.2
1232Q28.3Very low32.2Very low189 Ų189124.1 Ų124.188%0.88371%0.712SS**  trans73.8143.8171.3-54.7-166.827.800117.1
1233S26.6Very low31.8Very low88 Ų88125.3 Ų125.362%0.61571%0.713SS**  cis-166.7171.5-15.2580000112.9
1234N27.7Very low32.1Very low136 Ų136123 Ų12373%0.72770%0.702SS**  trans52.599.7143.7-62.4-21.6000121.9
1235V30.4Very low32.8Very low142 Ų142122.4 Ų122.486%0.86170%0.704SS**  trans-137.894.1133.4-178.30000106.2
1236V31.7Very low33Very low119 Ų119123.5 Ų123.572%0.72171%0.709SS**  60.191.483.1-1760000113
1237V32.6Very low33.1Very low141 Ų141123.5 Ų123.586%0.85571%0.709SS**  trans-130.1133.6144.5179.70000106.9
1238E34Very low33Very low148 Ų148123.2 Ų123.269%0.69270%0.698SS**  trans-60.5133.4-178.2-100-87.1136.600113.5S1240E1238-S1240 WeakPolarHBondContact OE2-CB 3.19Å; E1238-S1240 PolarHBondContact OE2-OG 2.89Å
1239P49.2Very low32.7Very low127 Ų127120.5 Ų120.583%0.82568%0.679SS**  trans-100.271.6163.637.4-30.1000111.5
1240S32.6Very low33Very low95 Ų95116.5 Ų116.566%0.66466%0.662SS**  trans-125.4129.9168.8-64.90000109.7E1238E1238-S1240 WeakPolarHBondContact OE2-CB 3.19Å; E1238-S1240 PolarHBondContact OE2-OG 2.89Å
1241G32.6Very low33.2Very low68 Ų68115.5 Ų115.570%0.70165%0.645SS**  cis129.3117.1-0.200000110.9
1242F31.8Very low33.3Very low191 Ų191118.2 Ų118.284%0.83865%0.648SS**  trans168110.7155.6-112.2-95.4000104.4
1243L34.6Very low33.7Very low123 Ų123113.9 Ų113.964%0.64463%0.63SS**  62.195.969.8-67.2171.7000113.1I1245L1243-I1245 HydrophobicContact CD2-CD1 4.11Å; L1243-I1245 HydrophobicContact CD2-CG1 4.13Å
1244E33.2Very low33.9Very low134 Ų134116.2 Ų116.263%0.62663%0.631SS**  -128.8104.7123-149.9165.2-156.900106.8D699 G700D699-E1244 WeakPolarHBondContact O-CB 3.39Å; D699-E1244 WeakPolarHBondContact O-CG 3.48Å; G700-E1244 WeakPolarHBondContact CA-OE2 3.1Å; G700-E1244 WeakPolarHBondContact O-CB 3.49Å
1245I43.2Very low34.1Very low123 Ų123118 Ų11863%0.63164%0.636SS**  trans-128.7104169.7-37.3173.3000108.1L1243 N1247L1243-I1245 HydrophobicContact CD2-CD1 4.11Å; L1243-I1245 HydrophobicContact CD2-CG1 4.13Å; I1245-N1247 HydrophobicContact CG2-CB 4.06Å
1246T32.4Very low34.1Very low66 Ų66118.6 Ų118.641%0.40563%0.634SS.*  trans-125.297.9153.4-19.80000103.6G697 Q698 D699G697-T1246 CarbonylContact C-O 3.51Å; G697-T1246 WeakPolarHBondContact O-CB 3.45Å; G697-T1246 WeakPolarHBondContact O-CG2 3.42Å; Q698-T1246 CarbonylContact C-O 3.56Å; Q698-T1246 VanDerWaalsContact CA-O 3.26Å; Q698-T1246 WeakPolarHBondContact CA-O 3.35Å; Q698-T1246 PolarHBondContact N-O 3.45Å; Q698-T1246 CarbonylContact O-C 3.58Å; Q698-T1246 VanDerWaalsContact O-CA 3.25Å; Q698-T1246 WeakPolarHBondContact O-CA 3.24Å; Q698-T1246 WeakPolarHBondContact O-CB 3.33Å; Q698-T1246 PolarHBondContact O-N 2.72Å; Q698-T1246 PolarHBondContact O-OG1 2.75Å; D699-T1246 PolarHBondContact N-O 3.24Å
1247N30.3Very low34Very low84 Ų84118 Ų11845%0.44964%0.635SS.*  cis64.9146.743.8-149.2-4.1000112.8S696 G697 I1245S696-N1247 CarbonylContact C-O 3.52Å; G697-N1247 WeakPolarHBondContact CA-O 3.4Å; G697-N1247 PolarHBondContact N-O 2.92Å; I1245-N1247 HydrophobicContact CG2-CB 4.06Å
1248Y34Very low35.4Very low157 Ų157116.2 Ų116.262%0.61663%0.626SS**  trans78160.7168.7-71-60000118.4S696S696-Y1248 CarbonylContact C-O 2.85Å; S696-Y1248 WeakPolarHBondContact CA-O 3.18Å; S696-Y1248 VanDerWaalsContact N-C 3.33Å; S696-Y1248 PolarHBondContact N-O 3.21Å; S696-Y1248 CarbonylContact O-C 3.25Å; S696-Y1248 VanDerWaalsContact O-CB 3.27Å; S696-Y1248 WeakPolarHBondContact O-CB 3.08Å
1249T30.9Very low35.3Very low61 Ų61116 Ų11637%0.37463%0.627SS.*  cis-127.8140.1-5.8-129.50000108Q694 T695 S696Q694-T1249 CarbonylContact C-O 3.03Å; Q694-T1249 VanDerWaalsContact C-O 3.25Å; Q694-T1249 CarbonylContact O-C 2.76Å; Q694-T1249 WeakPolarHBondContact O-CA 3.48Å; Q694-T1249 WeakPolarHBondContact O-CB 3.46Å; Q694-T1249 WeakPolarHBondContact O-CG2 3.2Å; T695-T1249 VanDerWaalsContact CA-O 3.3Å; T695-T1249 WeakPolarHBondContact CA-O 3.41Å; S696-T1249 PolarHBondContact O-N 2.83Å
1250S36.4Very low34.4Very low53 Ų53116.7 Ų116.737%0.37162%0.619SS.*  70.8172.8102.2-129.40000114.7Q694 Q1252Q694-S1250 CarbonylContact C-O 3.36Å; Q694-S1250 WeakPolarHBondContact CA-O 3.3Å; Q694-S1250 PolarHBondContact N-O 3.28Å; Q694-S1250 CarbonylContact O-C 3.15Å; Q694-S1250 WeakPolarHBondContact O-CA 3.43Å; Q694-S1250 WeakPolarHBondContact O-CB 3.47Å; Q694-S1250 PolarHBondContact O-N 2.89Å; S1250-Q1252 PolarHBondContact OG-OE1 3.41Å
1251Q33.6Very low34.2Very low89 Ų89114.8 Ų114.842%0.41660%0.6SS.*  cis-115.5148.4-11.2-57.4166.832.900108.7Q692 A693Q692-Q1251 PolarHBondContact O-NE2 3.38Å; Q692-Q1251 PolarHBondContact O-OE1 3.33Å; Q692-Q1251 VanDerWaalsContact O-OE1 3.12Å; A693-Q1251 WeakPolarHBondContact O-CG 3.08Å; A693-Q1251 PolarHBondContact O-NE2 2.85Å
1252Q34.3Very low34Very low148 Ų148119.4 Ų119.469%0.69260%0.603SS**  cis80.7153.931.3-162.1177.4-5.300113.6S1250S1250-Q1252 PolarHBondContact OG-OE1 3.41Å
1253L35.6Very low34Very low98 Ų98114.4 Ų114.451%0.51359%0.588SS.*  trans79135.4-179.3-48.9-176.3000114.3
1254E30.8Very low33.6Very low137 Ų137114.6 Ų114.664%0.6459%0.59SS**  cis-154.9140.1-4.2-109.4150174.800106.6
1255E33.1Very low33.4Very low175 Ų175113.1 Ų113.182%0.81859%0.594SS**  79.7116.475-167.5169.2133.600114.9
1256D29.6Very low32.7Very low154 Ų154112.2 Ų112.282%0.82460%0.599SS**  -174172.8114.6-161.75.3000109.8
1257S30.3Very low32.5Very low105 Ų105116.1 Ų116.173%0.73462%0.617SS**  trans-134.8-124.5-162.7-169.20000116
1258P60.7Low32.5Very low104 Ų104118.8 Ų118.868%0.67563%0.632SS**  trans-122-177-138.641.1-22.6000115.8
1259M31.4Very low32.4Very low143 Ų143119.5 Ų119.570%0.70464%0.64SS**  trans-155.9156157.3-150.378.88100112.3Q947Q947-M1259 HydrophobicContact CG-CG 3.85Å; Q947-M1259 HydrophobicContact CG-SD 4.48Å
1260E31.7Very low32.5Very low143 Ų143120.9 Ų120.967%0.66866%0.658SS**  trans-124.5169.5-168.4-47159119.500112.9Q947 A948Q947-E1260 WeakPolarHBondContact CA-O 3.47Å; A948-E1260 HydrophobicContact CB-CB 4.05Å
1261Q28.6Very low32.3Very low55 Ų55122.6 Ų122.626%0.25768%0.675SS.*  180163.4124.1167.6167.972.900112.6V945 S946 Q947 A948V945-Q1261 VanDerWaalsContact CG1-OE1 3.31Å; S946-Q1261 PolarHBondContact OG-O 3.5Å; Q947-Q1261 VanDerWaalsContact N-CB 3.32Å; Q947-Q1261 VanDerWaalsContact N-CD 3.27Å; Q947-Q1261 PolarHBondContact O-NE2 2.68Å; Q947-Q1261 PolarHBondContact O-OE1 2.68Å; A948-Q1261 HydrophobicContact CB-CB 3.88Å; A948-Q1261 HydrophobicContact CB-CG 4.43Å
1262E27.2Very low32.1Very low164 Ų164123.3 Ų123.377%0.76670%0.697SS**  trans-111.4-140.8168.4-51176.1100.700113.4
1263V32.1Very low32.1Very low87 Ų87120.9 Ų120.953%0.52770%0.701SS.*  trans85.897.1160-167.50000119.1
1264D27Very low31.8Very low126 Ų126121.6 Ų121.667%0.67472%0.715SS**  trans46.8133136-80.1-49.7000124
1265S28.8Very low32.6Very low103 Ų103121 Ų12172%0.7272%0.723SS**  -168.1113.695.8-77.60000114.9
1266S27.6Very low32.6Very low104 Ų104116.1 Ų116.173%0.72771%0.712SS**  17.6129127.5-172.30000120.6
1267N28.3Very low32.8Very low148 Ų148116.9 Ų116.979%0.79171%0.711SS**  -158.3155.8105.3-155.868.7000112.8
1268D30Very low32.9Very low141 Ų141120.1 Ų120.175%0.75472%0.715SS**  trans-87.8173.7174.3-162.1-95.3000112.4
1269E33.2Very low32.8Very low172 Ų172124.2 Ų124.280%0.80474%0.741SS**  trans145.8111.6136-170.1159109.700114.5
1270A32.5Very low32.9Very low89 Ų89123.3 Ų123.374%0.73674%0.743SS**  trans47.8153.7144.700000123.3
1271A31.3Very low33Very low89 Ų89122.3 Ų122.374%0.73675%0.747SS**  cis-172.9150.5-23.700000110.8
1272A30.4Very low33.2Very low105 Ų105126 Ų12687%0.86877%0.774SS**  trans60.8154.9156.300000118.9
1273A34.8Very low33.6Very low96 Ų96123.8 Ų123.879%0.79378%0.775SS**  cis-148.4161.53.500000112.3
1274S29.4Very low33.6Very low113 Ų113126.1 Ų126.179%0.7979%0.79SS**  trans-76.5-178.2161.8-42.60000110.9
1275P48Very low34.1Very low125 Ų125126.1 Ų126.181%0.81280%0.798SS**  cis-130.9-156.37.438.4-14.4000111.9
1276A33Very low34.5Very low72 Ų72127.7 Ų127.760%0.59580%0.803SS**  cis-158.1167.510.300000112.9
1277E32.8Very low35Very low170 Ų170129.5 Ų129.579%0.79481%0.809SS**  trans43.3120.9149.2-67.2172.2123.900120.2
1278Q32.3Very low35.6Very low174 Ų174128 Ų12881%0.81381%0.811SS**  65.8148.378.7-90.4-167.90.100114.9
1279P59.1Low36.1Very low190 Ų190126.8 Ų126.8100%1.23482%0.816SS**  cis-107023.436.3-26.1000116.6

Retrieved 1,279 of 1,279 residues in 1004.1 ms (Link to these results)