A0A3Q0KQB7_SCHMA Loading...

Sugar nucleotide epimerase related

AlphaFold DB , UniProt , Accession A0A3Q0KQB7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 512 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
1M52.9Low78.9Confident197 Ų19767.8 Ų67.897%0.9737%0.366SS*.  0135.80-82.3178164.300106.5L3M1-L3 HydrophobicContact CB-CD2 4.35Å; M1-L3 HydrophobicContact CB-CG 4.48Å
2D58.1Low80.4Confident142 Ų14268.2 Ų68.276%0.75936%0.363SS*.  trans-76.1128.1163.6-167.8-8.5000108.3S4D2-S4 WeakPolarHBondContact OD1-CB 3.43Å; D2-S4 PolarHBondContact OD1-N 3.28Å
3L66Low81.5Confident55 Ų5563.1 Ų63.129%0.28834%0.336SS..  trans-117.412.1179.4-63.5178.9000111.6M1 G5 K6 I8 V79M1-L3 HydrophobicContact CB-CD2 4.35Å; M1-L3 HydrophobicContact CB-CG 4.48Å; L3-G5 PolarHBondContact O-N 3.21Å; L3-G5 VanDerWaalsContact O-N 3.15Å; L3-K6 PolarHBondContact O-N 2.98Å; L3-K6 VanDerWaalsContact O-N 3.11Å; L3-I8 HydrophobicContact CD2-CD1 3.7Å; L3-V79 HydrophobicContact CD1-CG2 3.82Å
4S60.2Low82.1Confident97 Ų9759.2 Ų59.268%0.67832%0.319SS*.THydrogen-bonded Turntrans-49.5118.3178.1-1740000111.6D2 K6D2-S4 WeakPolarHBondContact OD1-CB 3.43Å; D2-S4 PolarHBondContact OD1-N 3.28Å; S4-K6 PolarHBondContact O-N 3Å
5G69Low82.6Confident34 Ų3463.2 Ų63.235%0.35133%0.334SS..THydrogen-bonded Turntrans66.722.5178.200000116.4L3 E25L3-G5 PolarHBondContact O-N 3.21Å; L3-G5 VanDerWaalsContact O-N 3.15Å; G5-E25 WeakPolarHBondContact CA-OE1 3.43Å
6K85.1Confident83.3Confident126 Ų12661.1 Ų61.155%0.54832%0.323SS..  trans-136105.2-178.2-67.4-178-176.6172.40113.3L3 S4L3-K6 PolarHBondContact O-N 2.98Å; L3-K6 VanDerWaalsContact O-N 3.11Å; S4-K6 PolarHBondContact O-N 3Å
7L92.1Very high84Confident2 Ų264.6 Ų64.61%0.0134%0.341CS..  trans-68.2138.3169.2174.964.4000110.5I9 I22 I27 I74 L80L7-I9 HydrophobicContact CD2-CG1 4.44Å; L7-I9 HydrophobicContact CG-CG1 4.35Å; L7-I22 HydrophobicContact CB-CB 4.18Å; L7-I22 HydrophobicContact CD2-CB 4.31Å; L7-I22 HydrophobicContact CD2-CG1 4.25Å; L7-I22 HydrophobicContact CG-CB 4.32Å; L7-I22 HydrophobicContact CG-CG1 4.24Å; L7-I22 PolarHBondContact O-N 2.75Å; L7-I27 HydrophobicContact CD2-CG2 4.1Å; L7-I74 HydrophobicContact CD1-CG2 4.48Å; L7-I74 HydrophobicContact CD2-CD1 4.05Å; L7-I74 HydrophobicContact CD2-CG1 3.94Å; L7-I74 HydrophobicContact CD2-CG2 4.3Å; L7-L80 HydrophobicContact CD1-CB 3.98Å
8I94Very high84.7Confident16 Ų1664.9 Ų64.98%0.08234%0.337CS..EExtended strand (participates in β ladder)trans-128.1112.3176.4-62.3-174000109.2L3 R19 R78 V79 L80L3-I8 HydrophobicContact CD2-CD1 3.7Å; I8-R19 HydrophobicContact CG2-CG 3.63Å; I8-R78 PolarHBondContact N-O 2.66Å; I8-V79 HydrophobicContact CB-CG2 4.5Å; I8-V79 HydrophobicContact CG2-CG1 4.39Å; I8-V79 CarbonylContact O-C 3.57Å; I8-V79 VanDerWaalsContact O-CA 3.29Å; I8-V79 WeakPolarHBondContact O-CA 3.43Å; I8-L80 PolarHBondContact O-N 3.21Å; I8-L80 VanDerWaalsContact O-N 3.13Å
9I95.9Very high85.3Confident1 Ų168.9 Ų68.91%0.00535%0.347CS..EExtended strand (participates in β ladder)trans-87.7125.1176.1-61.2179.1000109.3L7 A11 R19 I20 I22 L32 M35 M36 L80 I82L7-I9 HydrophobicContact CD2-CG1 4.44Å; L7-I9 HydrophobicContact CG-CG1 4.35Å; I9-A11 HydrophobicContact CG2-CB 4.19Å; I9-R19 CarbonylContact O-C 3.41Å; I9-R19 WeakPolarHBondContact O-CA 3.32Å; I9-I20 PolarHBondContact N-O 2.8Å; I9-I20 PolarHBondContact O-N 3.21Å; I9-I22 HydrophobicContact CD1-CD1 4.05Å; I9-I22 HydrophobicContact CD1-CG1 3.83Å; I9-I22 HydrophobicContact CG1-CD1 4.38Å; I9-I22 HydrophobicContact CG1-CG1 3.89Å; I9-L32 HydrophobicContact CD1-CD1 3.66Å; I9-M35 HydrophobicContact CD1-CE 3.79Å; I9-M36 HydrophobicContact CG2-CE 4.04Å; I9-L80 CarbonylContact C-O 3.52Å; I9-L80 WeakPolarHBondContact CA-O 3.39Å; I9-L80 HydrophobicContact CG1-CB 4.47Å; I9-L80 HydrophobicContact CG1-CD2 4.43Å; I9-I82 HydrophobicContact CG2-CD1 3.76Å; I9-I82 HydrophobicContact CG2-CG1 3.98Å
10K96.8Very high85.8Confident76 Ų7666.8 Ų66.833%0.3334%0.337SS..EExtended strand (participates in β ladder)trans-100100.5165-75168.8169.8176.10107.6R18 V79 L80 Q81 I82K10-R18 CarbonylContact C-O 3.43Å; K10-R18 WeakPolarHBondContact CA-O 3.31Å; K10-V79 HydrophobicContact CD-CG1 3.85Å; K10-V79 HydrophobicContact CG-CG1 4.21Å; K10-L80 PolarHBondContact N-O 3.5Å; K10-Q81 HydrophobicContact CB-CG 3.97Å; K10-Q81 HydrophobicContact CD-CG 3.52Å; K10-Q81 HydrophobicContact CG-CG 4.4Å; K10-Q81 VanDerWaalsContact NZ-OE1 3.09Å; K10-I82 PolarHBondContact O-N 2.93Å
11A97.3Very high86.2Confident0 Ų068.7 Ų68.70%035%0.354CS..EExtended strand (participates in β ladder)trans-99.8132-178.200000111.5I9 R18 I20 M36 F40 I82 I84I9-A11 HydrophobicContact CG2-CB 4.19Å; A11-R18 PolarHBondContact N-O 2.97Å; A11-R18 PolarHBondContact O-N 3.19Å; A11-I20 HydrophobicContact CB-CD1 4.29Å; A11-M36 HydrophobicContact CB-CE 4.25Å; A11-M36 HydrophobicContact CB-SD 3.67Å; A11-F40 HydrophobicContact CB-CE2 3.81Å; A11-F40 HydrophobicContact CB-CZ 4.03Å; A11-I82 HydrophobicContact CB-CD1 4.01Å; A11-I82 HydrophobicContact CB-CG1 3.8Å; A11-I84 HydrophobicContact CB-CD1 4.08Å
12Q97Very high88.1Confident72 Ų7260.1 Ų60.134%0.33631%0.312SS..EExtended strand (participates in β ladder)trans-117.8130.5174.9-175.1176.8-4.200110.7G14 D16 L17 I82 K83 I84Q12-G14 PolarHBondContact NE2-O 3.35Å; Q12-D16 WeakPolarHBondContact CA-O 3.44Å; Q12-L17 HydrophobicContact CB-CD1 3.89Å; Q12-L17 HydrophobicContact CG-CD1 4.44Å; Q12-I82 PolarHBondContact N-O 3.09Å; Q12-K83 WeakPolarHBondContact O-CA 3.44Å; Q12-I84 PolarHBondContact O-N 2.92Å
13L94.5Very high89.4Confident2 Ų261.4 Ų61.41%0.0131%0.313CS..EExtended strand (participates in β ladder)trans-124105.9165.8179.967.5000107.7H15 D16 F40 Y43 I44 I84 Q94L13-H15 PolarHBondContact O-N 3.25Å; L13-D16 PolarHBondContact N-O 3.47Å; L13-D16 PolarHBondContact O-N 3.14Å; L13-F40 HydrophobicContact CB-CD1 3.83Å; L13-F40 HydrophobicContact CB-CE1 3.9Å; L13-F40 HydrophobicContact CB-CG 4.15Å; L13-F40 HydrophobicContact CB-CZ 4.3Å; L13-F40 HydrophobicContact CD2-CB 3.72Å; L13-F40 HydrophobicContact CD2-CD1 4.05Å; L13-F40 HydrophobicContact CD2-CG 3.94Å; L13-Y43 HydrophobicContact CD2-CD2 3.81Å; L13-Y43 HydrophobicContact CD2-CG 4.08Å; L13-I44 HydrophobicContact CD2-CD1 3.96Å; L13-I44 HydrophobicContact CD2-CG1 3.87Å; L13-I84 HydrophobicContact CD1-CB 4.12Å; L13-I84 HydrophobicContact CD1-CG2 4.12Å; L13-I84 WeakPolarHBondContact CD1-O 3.33Å; L13-Q94 HydrophobicContact CD1-CG 3.99Å
14G90.5Very high90.2Very high9 Ų962.1 Ų62.19%0.09332%0.317CS..THydrogen-bonded Turntrans51.9-103.1-171.400000113.4Q12 Q94Q12-G14 PolarHBondContact NE2-O 3.35Å; G14-Q94 WeakPolarHBondContact CA-O 3.08Å
15H89.2Confident91.1Very high119 Ų11962 Ų6255%0.55131%0.306SS*.THydrogen-bonded Turntrans-100.4-8.4179.1-62.5-25.8000115L13 Q94 C95 A97L13-H15 PolarHBondContact O-N 3.25Å; H15-Q94 PolarHBondContact N-O 3.26Å; H15-C95 PolarHBondContact CD2-O 3.42Å; H15-C95 VanDerWaalsContact CD2-O 3.28Å; H15-A97 HydrophobicContact CB-CB 4.04Å
16D93.6Very high91.9Very high30 Ų3068.4 Ų68.416%0.1633%0.326CS..EExtended strand (participates in β ladder)trans-89.7115.9177.3-167.2-18.1000109.8Q12 L13 R18 F40 Y43Q12-D16 WeakPolarHBondContact CA-O 3.44Å; L13-D16 PolarHBondContact N-O 3.47Å; L13-D16 PolarHBondContact O-N 3.14Å; D16-R18 VanDerWaalsContact CG-NE 3.31Å; D16-R18 VanDerWaalsContact OD1-CG 3.28Å; D16-R18 WeakPolarHBondContact OD1-CG 3.45Å; D16-R18 IonicContact OD1-CZ 3.78Å; D16-R18 IonicContact OD1-NE 2.86Å; D16-R18 PolarHBondContact OD1-NE 3.15Å; D16-R18 IonicContact OD1-NH2 3.8Å; D16-R18 IonicContact OD2-CZ 3.31Å; D16-R18 VanDerWaalsContact OD2-CZ 3.31Å; D16-R18 IonicContact OD2-NE 3.13Å; D16-R18 PolarHBondContact OD2-NE 3.41Å; D16-R18 VanDerWaalsContact OD2-NE 3.13Å; D16-R18 IonicContact OD2-NH2 3.86Å; D16-R18 PolarHBondContact OD2-NH2 2.86Å; D16-F40 HydrophobicContact CB-CD1 4.26Å; D16-F40 HydrophobicContact CB-CE1 3.91Å; D16-Y43 HydrophobicContact CB-CE2 3.98Å
17L96.3Very high92.3Very high120 Ų12063 Ų6363%0.62830%0.303SS*.EExtended strand (participates in β ladder)trans-117123.8-178.8179.471.5000110.1Q12Q12-L17 HydrophobicContact CB-CD1 3.89Å; Q12-L17 HydrophobicContact CG-CD1 4.44Å
18R96.7Very high92.4Very high70 Ų7065.7 Ų65.726%0.26432%0.32SS..EExtended strand (participates in β ladder)trans-131.7146.9-172.9-58.9-174.1-179.9-165.714.3111.7K10 A11 D16 V39 F40K10-R18 CarbonylContact C-O 3.43Å; K10-R18 WeakPolarHBondContact CA-O 3.31Å; A11-R18 PolarHBondContact N-O 2.97Å; A11-R18 PolarHBondContact O-N 3.19Å; D16-R18 VanDerWaalsContact CG-NE 3.31Å; D16-R18 VanDerWaalsContact OD1-CG 3.28Å; D16-R18 WeakPolarHBondContact OD1-CG 3.45Å; D16-R18 IonicContact OD1-CZ 3.78Å; D16-R18 IonicContact OD1-NE 2.86Å; D16-R18 PolarHBondContact OD1-NE 3.15Å; D16-R18 IonicContact OD1-NH2 3.8Å; D16-R18 IonicContact OD2-CZ 3.31Å; D16-R18 VanDerWaalsContact OD2-CZ 3.31Å; D16-R18 IonicContact OD2-NE 3.13Å; D16-R18 PolarHBondContact OD2-NE 3.41Å; D16-R18 VanDerWaalsContact OD2-NE 3.13Å; D16-R18 IonicContact OD2-NH2 3.86Å; D16-R18 PolarHBondContact OD2-NH2 2.86Å; R18-V39 HydrophobicContact CB-CG1 4.43Å; R18-V39 PolarHBondContact NH1-O 3.23Å; R18-F40 HydrophobicContact CB-CZ 4.13Å; R18-F40 HydrophobicContact CG-CE1 3.89Å; R18-F40 HydrophobicContact CG-CZ 3.96Å
19R95.8Very high92.6Very high141 Ų14166.8 Ų66.853%0.53232%0.323SS..EExtended strand (participates in β ladder)trans-117.1118.8179.2-175.5-179.1178.4175.51.9109.2I8 I9I8-R19 HydrophobicContact CG2-CG 3.63Å; I9-R19 CarbonylContact O-C 3.41Å; I9-R19 WeakPolarHBondContact O-CA 3.32Å
20I94.8Very high92.5Very high27 Ų2772.3 Ų72.314%0.13835%0.353CS..EExtended strand (participates in β ladder)trans-119.7115.8-172.3-47.9157.4000107.8I9 A11 I22 M35 M36 V39I9-I20 PolarHBondContact N-O 2.8Å; I9-I20 PolarHBondContact O-N 3.21Å; A11-I20 HydrophobicContact CB-CD1 4.29Å; I20-I22 HydrophobicContact CB-CD1 4.31Å; I20-I22 HydrophobicContact CG2-CD1 3.75Å; I20-M35 HydrophobicContact CD1-CG 4.48Å; I20-M35 HydrophobicContact CD1-SD 4.44Å; I20-M35 HydrophobicContact CG2-SD 3.82Å; I20-M36 HydrophobicContact CD1-CE 3.72Å; I20-M36 HydrophobicContact CD1-SD 4.09Å; I20-V39 HydrophobicContact CD1-CG1 4.35Å; I20-V39 HydrophobicContact CD1-CG2 3.93Å; I20-V39 HydrophobicContact CG1-CG2 4.46Å
21P93.4Very high92.5Very high106 Ų10673 Ų7369%0.68836%0.357SS*.EExtended strand (participates in β ladder)trans-78.4127.6172.231.5-31000109.7
22I92.9Very high92.4Very high18 Ų1873 Ų739%0.09236%0.357CS..  trans-105.4133.6176.8-43-56.6000108L7 I9 I20 N24 I27 M35L7-I22 HydrophobicContact CB-CB 4.18Å; L7-I22 HydrophobicContact CD2-CB 4.31Å; L7-I22 HydrophobicContact CD2-CG1 4.25Å; L7-I22 HydrophobicContact CG-CB 4.32Å; L7-I22 HydrophobicContact CG-CG1 4.24Å; L7-I22 PolarHBondContact O-N 2.75Å; I9-I22 HydrophobicContact CD1-CD1 4.05Å; I9-I22 HydrophobicContact CD1-CG1 3.83Å; I9-I22 HydrophobicContact CG1-CD1 4.38Å; I9-I22 HydrophobicContact CG1-CG1 3.89Å; I20-I22 HydrophobicContact CB-CD1 4.31Å; I20-I22 HydrophobicContact CG2-CD1 3.75Å; I22-N24 HydrophobicContact CG2-CB 4.47Å; I22-N24 VanDerWaalsContact CG2-O 3.27Å; I22-N24 WeakPolarHBondContact CG2-O 3.4Å; I22-I27 HydrophobicContact CG2-CD1 4.38Å; I22-M35 HydrophobicContact CD1-CE 3.55Å; I22-M35 HydrophobicContact CD1-SD 3.53Å; I22-M35 VanDerWaalsContact CD1-SD 3.53Å
23H86.1Confident92.3Very high168 Ų16870.9 Ų70.978%0.77835%0.348SS*.  trans-95.8-31.8176.5-170.1-1.4000112.2
24N83.7Confident92.4Very high71 Ų7174.7 Ų74.738%0.3837%0.368SS..  trans-73.4129.6172.8-171.314.5000109.7I22 E26I22-N24 HydrophobicContact CG2-CB 4.47Å; I22-N24 VanDerWaalsContact CG2-O 3.27Å; I22-N24 WeakPolarHBondContact CG2-O 3.4Å; N24-E26 PolarHBondContact ND2-O 3Å; N24-E26 PolarHBondContact OD1-N 3.35Å
25E78Confident92.5Very high95 Ų9575.7 Ų75.744%0.44437%0.371SS..SBendtrans-85.4-20.5169.7-60.9-162.5124.700111.4G5 I27 R78G5-E25 WeakPolarHBondContact CA-OE1 3.43Å; E25-I27 PolarHBondContact O-N 2.85Å; E25-R78 IonicContact OE1-CZ 2.69Å; E25-R78 IonicContact OE1-NH1 3.67Å; E25-R78 PolarHBondContact OE1-NH1 2.75Å; E25-R78 IonicContact OE1-NH2 2.64Å
26E87Confident92.9Very high167 Ų16770 Ų7078%0.7835%0.345SS*.SBendtrans-100.455.7-179.7-61.5174.6-172.900111.1N24N24-E26 PolarHBondContact ND2-O 3Å; N24-E26 PolarHBondContact OD1-N 3.35Å
27I92.7Very high92.9Very high13 Ų1370 Ų707%0.06734%0.343CS..  trans-80.6126.2176-179.3169.1000110.7L7 I22 E25 E31 L32 M35 L70 I74L7-I27 HydrophobicContact CD2-CG2 4.1Å; I22-I27 HydrophobicContact CG2-CD1 4.38Å; E25-I27 PolarHBondContact O-N 2.85Å; I27-E31 HydrophobicContact CD1-CG 4.14Å; I27-E31 HydrophobicContact CG1-CB 3.99Å; I27-E31 HydrophobicContact CG1-CG 3.97Å; I27-L32 HydrophobicContact CD1-CB 4.38Å; I27-M35 HydrophobicContact CD1-CE 3.47Å; I27-M35 VanDerWaalsContact CD1-CE 3.47Å; I27-L70 WeakPolarHBondContact O-CD2 3.28Å; I27-I74 HydrophobicContact CG2-CD1 3.56Å
28T95.1Very high92.8Very high59 Ų5973 Ų7336%0.36235%0.346SS..  trans-82.8164177.665.60000112.3D30 E31 L32 E67T28-D30 VanDerWaalsContact C-N 3.35Å; T28-D30 PolarHBondContact O-N 2.96Å; T28-E31 PolarHBondContact O-N 3.12Å; T28-E31 PolarHBondContact OG1-N 3.38Å; T28-L32 PolarHBondContact O-N 2.85Å; T28-E67 WeakPolarHBondContact CB-OE1 3.49Å; T28-E67 WeakPolarHBondContact CG2-OE1 3.46Å
29Y96.6Very high92.7Very high38 Ų3871.1 Ų71.115%0.14934%0.343CS..Hα-helixtrans-61.8-42.5177.3-173.5-109.5000111.7E31 L32 I33 I64Y29-E31 PolarHBondContact O-N 3.41Å; Y29-L32 WeakPolarHBondContact O-CB 3.39Å; Y29-L32 PolarHBondContact O-N 2.84Å; Y29-L32 VanDerWaalsContact O-N 3.14Å; Y29-I33 HydrophobicContact CD1-CG1 4.18Å; Y29-I33 HydrophobicContact CE1-CD1 4.22Å; Y29-I33 HydrophobicContact CE1-CG1 3.85Å; Y29-I33 HydrophobicContact CE2-CD1 4.12Å; Y29-I33 HydrophobicContact CE2-CG1 4.36Å; Y29-I33 WeakPolarHBondContact O-CG1 3.45Å; Y29-I33 PolarHBondContact O-N 2.8Å; Y29-I64 HydrophobicContact CD2-CG2 3.63Å; Y29-I64 HydrophobicContact CE2-CB 4.1Å; Y29-I64 HydrophobicContact CE2-CG2 3.59Å; Y29-I64 WeakPolarHBondContact CE2-O 3.3Å; Y29-I64 PolarHBondContact OH-O 3.41Å
30D95.4Very high92.7Very high117 Ų11764.4 Ų64.463%0.62632%0.317SS*.Hα-helixtrans-59.7-41.3174.2-76.6-15.5000112.9T28 L32 I33 L34T28-D30 VanDerWaalsContact C-N 3.35Å; T28-D30 PolarHBondContact O-N 2.96Å; D30-L32 VanDerWaalsContact C-N 3.34Å; D30-I33 PolarHBondContact O-N 2.66Å; D30-L34 WeakPolarHBondContact O-CB 3.46Å; D30-L34 VanDerWaalsContact O-CG 3.26Å; D30-L34 WeakPolarHBondContact O-CG 3.3Å; D30-L34 PolarHBondContact O-N 3.09Å
31E95.1Very high92.5Very high91 Ų9171.1 Ų71.143%0.42535%0.345SS..Hα-helixtrans-65.8-38.6175.7-179.1169.5-141.600111.3I27 T28 Y29 M35I27-E31 HydrophobicContact CD1-CG 4.14Å; I27-E31 HydrophobicContact CG1-CB 3.99Å; I27-E31 HydrophobicContact CG1-CG 3.97Å; T28-E31 PolarHBondContact O-N 3.12Å; T28-E31 PolarHBondContact OG1-N 3.38Å; Y29-E31 PolarHBondContact O-N 3.41Å; E31-M35 WeakPolarHBondContact O-CB 3.29Å; E31-M35 PolarHBondContact O-N 3.19Å
32L96Very high92.3Very high0 Ų071.4 Ų71.40%034%0.338CS..Hα-helixtrans-61.3-47.6174.1-178.964.7000111.8I9 I27 T28 Y29 D30 M35 M36 V52 L70 I82I9-L32 HydrophobicContact CD1-CD1 3.66Å; I27-L32 HydrophobicContact CD1-CB 4.38Å; T28-L32 PolarHBondContact O-N 2.85Å; Y29-L32 WeakPolarHBondContact O-CB 3.39Å; Y29-L32 PolarHBondContact O-N 2.84Å; Y29-L32 VanDerWaalsContact O-N 3.14Å; D30-L32 VanDerWaalsContact C-N 3.34Å; L32-M35 HydrophobicContact CD1-CE 3.83Å; L32-M35 WeakPolarHBondContact O-CB 3.38Å; L32-M35 PolarHBondContact O-N 3.5Å; L32-M36 HydrophobicContact CD1-CE 3.53Å; L32-M36 WeakPolarHBondContact O-CG 3.34Å; L32-M36 PolarHBondContact O-N 2.85Å; L32-V52 HydrophobicContact CD2-CG1 4.46Å; L32-L70 HydrophobicContact CB-CD2 4.4Å; L32-L70 HydrophobicContact CD2-CD1 3.75Å; L32-L70 HydrophobicContact CD2-CD2 4.21Å; L32-I82 HydrophobicContact CD1-CD1 4.34Å
33I95.7Very high92.1Very high28 Ų2872.6 Ų72.614%0.14434%0.341CS..Hα-helixtrans-62.3-49.5177.4-65.7-48.9000111Y29 D30 M35 M36 Q37 L50 V52Y29-I33 HydrophobicContact CD1-CG1 4.18Å; Y29-I33 HydrophobicContact CE1-CD1 4.22Å; Y29-I33 HydrophobicContact CE1-CG1 3.85Å; Y29-I33 HydrophobicContact CE2-CD1 4.12Å; Y29-I33 HydrophobicContact CE2-CG1 4.36Å; Y29-I33 WeakPolarHBondContact O-CG1 3.45Å; Y29-I33 PolarHBondContact O-N 2.8Å; D30-I33 PolarHBondContact O-N 2.66Å; I33-M35 VanDerWaalsContact C-N 3.26Å; I33-M35 PolarHBondContact O-N 3.15Å; I33-M36 PolarHBondContact O-N 3.38Å; I33-M36 VanDerWaalsContact O-N 3.1Å; I33-Q37 WeakPolarHBondContact O-CG 3.47Å; I33-Q37 PolarHBondContact O-N 2.83Å; I33-L50 HydrophobicContact CD1-CB 4.13Å; I33-L50 HydrophobicContact CD1-CD1 4.49Å; I33-L50 HydrophobicContact CG2-CD1 4.27Å; I33-V52 HydrophobicContact CD1-CG2 3.61Å
34L95Very high92.4Very high81 Ų8165 Ų6542%0.42431%0.306SS..Hα-helixtrans-59.8-35.9176.6-74169.2000112.3D30 R38D30-L34 WeakPolarHBondContact O-CB 3.46Å; D30-L34 VanDerWaalsContact O-CG 3.26Å; D30-L34 WeakPolarHBondContact O-CG 3.3Å; D30-L34 PolarHBondContact O-N 3.09Å; L34-R38 WeakPolarHBondContact O-CB 3.29Å; L34-R38 WeakPolarHBondContact O-CD 3.22Å; L34-R38 WeakPolarHBondContact O-CG 3.22Å; L34-R38 PolarHBondContact O-N 2.82Å; L34-R38 VanDerWaalsContact O-N 3.08Å
35M94.5Very high92.7Very high31 Ų3164.8 Ų64.815%0.15331%0.307CS..Hα-helixtrans-66.1-45.7173.4176.7165.353.900111.5I9 I20 I22 I27 E31 L32 I33 R38 V39I9-M35 HydrophobicContact CD1-CE 3.79Å; I20-M35 HydrophobicContact CD1-CG 4.48Å; I20-M35 HydrophobicContact CD1-SD 4.44Å; I20-M35 HydrophobicContact CG2-SD 3.82Å; I22-M35 HydrophobicContact CD1-CE 3.55Å; I22-M35 HydrophobicContact CD1-SD 3.53Å; I22-M35 VanDerWaalsContact CD1-SD 3.53Å; I27-M35 HydrophobicContact CD1-CE 3.47Å; I27-M35 VanDerWaalsContact CD1-CE 3.47Å; E31-M35 WeakPolarHBondContact O-CB 3.29Å; E31-M35 PolarHBondContact O-N 3.19Å; L32-M35 HydrophobicContact CD1-CE 3.83Å; L32-M35 WeakPolarHBondContact O-CB 3.38Å; L32-M35 PolarHBondContact O-N 3.5Å; I33-M35 VanDerWaalsContact C-N 3.26Å; I33-M35 PolarHBondContact O-N 3.15Å; M35-R38 PolarHBondContact O-N 3.27Å; M35-V39 HydrophobicContact CG-CG2 4.19Å; M35-V39 WeakPolarHBondContact O-CB 3.5Å; M35-V39 VanDerWaalsContact O-CG2 3.22Å; M35-V39 WeakPolarHBondContact O-CG2 3.18Å; M35-V39 PolarHBondContact O-N 3.27Å
36M95.6Very high93.2Very high0 Ų068.4 Ų68.40%032%0.322CS..Hα-helixtrans-66.7-40.5179.1-64.9-46.2138.900112.6I9 A11 I20 L32 I33 R38 V39 F40 L50 I82 I84I9-M36 HydrophobicContact CG2-CE 4.04Å; A11-M36 HydrophobicContact CB-CE 4.25Å; A11-M36 HydrophobicContact CB-SD 3.67Å; I20-M36 HydrophobicContact CD1-CE 3.72Å; I20-M36 HydrophobicContact CD1-SD 4.09Å; L32-M36 HydrophobicContact CD1-CE 3.53Å; L32-M36 WeakPolarHBondContact O-CG 3.34Å; L32-M36 PolarHBondContact O-N 2.85Å; I33-M36 PolarHBondContact O-N 3.38Å; I33-M36 VanDerWaalsContact O-N 3.1Å; M36-R38 VanDerWaalsContact C-N 3.34Å; M36-R38 PolarHBondContact O-N 2.9Å; M36-V39 PolarHBondContact O-N 3.33Å; M36-F40 PolarHBondContact O-N 3.5Å; M36-F40 HydrophobicContact SD-CD2 4.43Å; M36-F40 HydrophobicContact SD-CE2 4.05Å; M36-L50 HydrophobicContact CB-CD1 4.2Å; M36-I82 HydrophobicContact CE-CD1 3.84Å; M36-I82 HydrophobicContact CG-CD1 4.36Å; M36-I82 HydrophobicContact SD-CD1 4.11Å; M36-I84 HydrophobicContact CB-CD1 3.94Å; M36-I84 HydrophobicContact CG-CD1 3.68Å; M36-I84 HydrophobicContact CG-CG1 4.25Å; M36-I84 HydrophobicContact SD-CD1 3.68Å
37Q94.4Very high93.3Very high29 Ų2967.3 Ų67.314%0.13632%0.317CS..Hα-helixtrans-56.1-46.2170.3-70.3-173-14.300111.6I33 K41 I44 K46 L50I33-Q37 WeakPolarHBondContact O-CG 3.47Å; I33-Q37 PolarHBondContact O-N 2.83Å; Q37-K41 VanDerWaalsContact O-CA 3.28Å; Q37-K41 WeakPolarHBondContact O-CA 3.33Å; Q37-K41 WeakPolarHBondContact O-CB 3.21Å; Q37-K41 PolarHBondContact O-N 2.93Å; Q37-K41 VanDerWaalsContact O-N 3.07Å; Q37-I44 HydrophobicContact CB-CG2 4.22Å; Q37-I44 HydrophobicContact CG-CG2 3.79Å; Q37-K46 PolarHBondContact NE2-O 3.03Å; Q37-L50 HydrophobicContact CG-CD1 4.06Å
38R94.4Very high93.2Very high184 Ų18467.3 Ų67.369%0.69432%0.317SS*.Hα-helixtrans-67.5-38.9179-73.8168.2-176.3175.14.1113.1L34 M35 M36L34-R38 WeakPolarHBondContact O-CB 3.29Å; L34-R38 WeakPolarHBondContact O-CD 3.22Å; L34-R38 WeakPolarHBondContact O-CG 3.22Å; L34-R38 PolarHBondContact O-N 2.82Å; L34-R38 VanDerWaalsContact O-N 3.08Å; M35-R38 PolarHBondContact O-N 3.27Å; M36-R38 VanDerWaalsContact C-N 3.34Å; M36-R38 PolarHBondContact O-N 2.9Å
39V94.8Very high93.1Very high30 Ų3070.1 Ų70.118%0.18233%0.326CS..Hα-helixtrans-69.8-53.2-179.6168.20000110.1R18 I20 M35 M36 K41R18-V39 HydrophobicContact CB-CG1 4.43Å; R18-V39 PolarHBondContact NH1-O 3.23Å; I20-V39 HydrophobicContact CD1-CG1 4.35Å; I20-V39 HydrophobicContact CD1-CG2 3.93Å; I20-V39 HydrophobicContact CG1-CG2 4.46Å; M35-V39 HydrophobicContact CG-CG2 4.19Å; M35-V39 WeakPolarHBondContact O-CB 3.5Å; M35-V39 VanDerWaalsContact O-CG2 3.22Å; M35-V39 WeakPolarHBondContact O-CG2 3.18Å; M35-V39 PolarHBondContact O-N 3.27Å; M36-V39 PolarHBondContact O-N 3.33Å; V39-K41 VanDerWaalsContact C-N 3.34Å; V39-K41 PolarHBondContact O-N 2.83Å
40F94.7Very high93Very high0 Ų069 Ų690%032%0.322CS..SBendtrans-96.228.1-176.5-60.4-82.4000113.5A11 L13 D16 R18 M36 Q42 Y43 I44 I84A11-F40 HydrophobicContact CB-CE2 3.81Å; A11-F40 HydrophobicContact CB-CZ 4.03Å; L13-F40 HydrophobicContact CB-CD1 3.83Å; L13-F40 HydrophobicContact CB-CE1 3.9Å; L13-F40 HydrophobicContact CB-CG 4.15Å; L13-F40 HydrophobicContact CB-CZ 4.3Å; L13-F40 HydrophobicContact CD2-CB 3.72Å; L13-F40 HydrophobicContact CD2-CD1 4.05Å; L13-F40 HydrophobicContact CD2-CG 3.94Å; D16-F40 HydrophobicContact CB-CD1 4.26Å; D16-F40 HydrophobicContact CB-CE1 3.91Å; R18-F40 HydrophobicContact CB-CZ 4.13Å; R18-F40 HydrophobicContact CG-CE1 3.89Å; R18-F40 HydrophobicContact CG-CZ 3.96Å; M36-F40 PolarHBondContact O-N 3.5Å; M36-F40 HydrophobicContact SD-CD2 4.43Å; M36-F40 HydrophobicContact SD-CE2 4.05Å; F40-Q42 PolarHBondContact O-N 3.43Å; F40-Y43 HydrophobicContact CB-CD2 4.47Å; F40-Y43 HydrophobicContact CD1-CD2 4.45Å; F40-Y43 PolarHBondContact O-N 2.89Å; F40-I44 HydrophobicContact CB-CD1 3.79Å; F40-I44 HydrophobicContact CB-CG1 4.07Å; F40-I44 PolarHBondContact O-N 3.19Å; F40-I84 HydrophobicContact CD2-CD1 3.71Å; F40-I84 HydrophobicContact CE2-CD1 3.41Å; F40-I84 VanDerWaalsContact CE2-CD1 3.41Å; F40-I84 HydrophobicContact CZ-CD1 4.28Å
41K92.2Very high93Very high167 Ų16766.3 Ų66.373%0.72631%0.308SS*.THydrogen-bonded Turntrans-52.1-3.2179.967.8172.7-174.5176.20118Q37 V39Q37-K41 VanDerWaalsContact O-CA 3.28Å; Q37-K41 WeakPolarHBondContact O-CA 3.33Å; Q37-K41 WeakPolarHBondContact O-CB 3.21Å; Q37-K41 PolarHBondContact O-N 2.93Å; Q37-K41 VanDerWaalsContact O-N 3.07Å; V39-K41 VanDerWaalsContact C-N 3.34Å; V39-K41 PolarHBondContact O-N 2.83Å
42Q89.1Confident93.1Very high113 Ų11362 Ų6253%0.52829%0.287SS..THydrogen-bonded Turntrans-98-9.7175.873.2-164.437.200112.7F40F40-Q42 PolarHBondContact O-N 3.43Å
43Y88.9Confident93.1Very high43 Ų4364.2 Ų64.217%0.16930%0.297CS..THydrogen-bonded Turntrans-125-34.1179.1-55.6-61000111.6L13 D16 F40 K89 T96L13-Y43 HydrophobicContact CD2-CD2 3.81Å; L13-Y43 HydrophobicContact CD2-CG 4.08Å; D16-Y43 HydrophobicContact CB-CE2 3.98Å; F40-Y43 HydrophobicContact CB-CD2 4.47Å; F40-Y43 HydrophobicContact CD1-CD2 4.45Å; F40-Y43 PolarHBondContact O-N 2.89Å; Y43-K89 PolarHBondContact O-NZ 3.04Å; Y43-T96 WeakPolarHBondContact CE1-O 3.43Å; Y43-T96 PolarHBondContact OH-O 3.49Å
44I92.1Very high93.2Very high7 Ų764 Ų644%0.03630%0.295CS..  trans-103.8131.8-177.8-56.6-177.7000110.2L13 Q37 F40 D48 L50 I84 V86L13-I44 HydrophobicContact CD2-CD1 3.96Å; L13-I44 HydrophobicContact CD2-CG1 3.87Å; Q37-I44 HydrophobicContact CB-CG2 4.22Å; Q37-I44 HydrophobicContact CG-CG2 3.79Å; F40-I44 HydrophobicContact CB-CD1 3.79Å; F40-I44 HydrophobicContact CB-CG1 4.07Å; F40-I44 PolarHBondContact O-N 3.19Å; I44-D48 VanDerWaalsContact CA-OD2 3.27Å; I44-D48 WeakPolarHBondContact CA-OD2 3.32Å; I44-D48 HydrophobicContact CG2-CB 4.08Å; I44-L50 HydrophobicContact CD1-CD1 3.96Å; I44-L50 HydrophobicContact CD1-CD2 3.83Å; I44-L50 HydrophobicContact CG1-CD2 4.29Å; I44-L50 HydrophobicContact CG2-CD1 4.3Å; I44-L50 HydrophobicContact CG2-CD2 3.92Å; I44-I84 HydrophobicContact CD1-CG2 4.26Å; I44-V86 HydrophobicContact CD1-CG2 4.5Å; I44-V86 HydrophobicContact CG1-CG2 4.01Å
45T89Confident93.3Very high67 Ų6764 Ų6441%0.41129%0.291SS..  trans-101.1-179.1167.680.20000110.4E47 D48T45-E47 VanDerWaalsContact C-N 3.3Å; T45-E47 WeakPolarHBondContact CB-OE2 3.3Å; T45-E47 PolarHBondContact OG1-OE2 2.9Å; T45-D48 PolarHBondContact N-OD2 3.33Å
46K88.1Confident93.4Very high171 Ų17164.2 Ų64.274%0.74329%0.293SS*.SBendtrans-78.6-21.7-178.6-65.9-178.7178.1-179.10113.2Q37Q37-K46 PolarHBondContact NE2-O 3.03Å
47E89.8Confident93.3Very high144 Ų14472.7 Ų72.767%0.67333%0.333SS*.SBendtrans-91.6-7.2-175.5-48.972.2-158.100111.5T45T45-E47 VanDerWaalsContact C-N 3.3Å; T45-E47 WeakPolarHBondContact CB-OE2 3.3Å; T45-E47 PolarHBondContact OG1-OE2 2.9Å
48D90.8Very high93.3Very high14 Ų1478.6 Ų78.68%0.07537%0.365CS..  trans-75.3120.8171-78.2-39000110.7I44 T45 L50 V86 K89I44-D48 VanDerWaalsContact CA-OD2 3.27Å; I44-D48 WeakPolarHBondContact CA-OD2 3.32Å; I44-D48 HydrophobicContact CG2-CB 4.08Å; T45-D48 PolarHBondContact N-OD2 3.33Å; D48-L50 HydrophobicContact CB-CD2 4.35Å; D48-V86 HydrophobicContact CB-CG1 3.75Å; D48-V86 WeakPolarHBondContact OD1-CG1 3.4Å; D48-K89 WeakPolarHBondContact OD1-CE 3.36Å; D48-K89 IonicContact OD1-NZ 3.01Å; D48-K89 PolarHBondContact OD1-NZ 3.08Å; D48-K89 IonicContact OD2-NZ 2.62Å; D48-K89 PolarHBondContact OD2-NZ 3.2Å
49E92.8Very high93.3Very high117 Ų11770.5 Ų70.555%0.54734%0.339SS..  trans-73.9133.7166.3-176.4177.4-171.800110.3V86 V87E49-V86 WeakPolarHBondContact O-CA 3.24Å; E49-V87 HydrophobicContact CB-CB 4.18Å; E49-V87 HydrophobicContact CB-CG2 4.36Å; E49-V87 HydrophobicContact CG-CB 4.17Å; E49-V87 HydrophobicContact CG-CG2 3.92Å; E49-V87 PolarHBondContact O-N 3.26Å
50L94.4Very high93.3Very high15 Ų1574.4 Ų74.48%0.07936%0.359CS..EExtended strand (participates in β ladder)trans-114.9126.6-174.3-58.1-170.7000111.4I33 M36 Q37 I44 D48 I84 F85 V86I33-L50 HydrophobicContact CD1-CB 4.13Å; I33-L50 HydrophobicContact CD1-CD1 4.49Å; I33-L50 HydrophobicContact CG2-CD1 4.27Å; M36-L50 HydrophobicContact CB-CD1 4.2Å; Q37-L50 HydrophobicContact CG-CD1 4.06Å; I44-L50 HydrophobicContact CD1-CD1 3.96Å; I44-L50 HydrophobicContact CD1-CD2 3.83Å; I44-L50 HydrophobicContact CG1-CD2 4.29Å; I44-L50 HydrophobicContact CG2-CD1 4.3Å; I44-L50 HydrophobicContact CG2-CD2 3.92Å; D48-L50 HydrophobicContact CB-CD2 4.35Å; L50-I84 HydrophobicContact CD1-CG2 4.38Å; L50-I84 HydrophobicContact CD2-CG2 4.37Å; L50-F85 WeakPolarHBondContact CA-O 3.48Å; L50-V86 HydrophobicContact CD2-CB 4.39Å; L50-V86 HydrophobicContact CD2-CG2 3.7Å
51L95.6Very high93.4Very high60 Ų6078.8 Ų78.831%0.31438%0.378SS..EExtended strand (participates in β ladder)trans-95.4116.8166.8178.771.3000108.2T63 F85 V87L51-T63 HydrophobicContact CD1-CG2 3.53Å; L51-F85 HydrophobicContact CB-CB 4.29Å; L51-F85 PolarHBondContact N-O 2.91Å; L51-F85 PolarHBondContact O-N 3.4Å; L51-V87 HydrophobicContact CB-CG2 3.98Å
52V97Very high93.6Very high0 Ų074.1 Ų74.10%036%0.36CS..EExtended strand (participates in β ladder)trans-99.7136.2175.9-178.40000109.1L32 I33 I64 I82L32-V52 HydrophobicContact CD2-CG1 4.46Å; I33-V52 HydrophobicContact CD1-CG2 3.61Å; V52-I64 HydrophobicContact CB-CB 4.48Å; V52-I64 HydrophobicContact CG1-CD1 4.22Å; V52-I64 PolarHBondContact O-N 2.86Å; V52-I82 HydrophobicContact CG1-CB 4.17Å; V52-I82 HydrophobicContact CG1-CD1 4.17Å; V52-I82 HydrophobicContact CG1-CG2 4.28Å
53K97.5Very high94Very high47 Ų4769.9 Ų69.920%0.20434%0.342CS..EExtended strand (participates in β ladder)trans-127.4133.3168.7-61.2-172.3168.3-83.60110.2F61 I62 T63 I82 K83 F85K53-F61 HydrophobicContact CB-CB 4.24Å; K53-F61 HydrophobicContact CB-CD1 4.18Å; K53-F61 HydrophobicContact CD-CB 4.26Å; K53-I62 CarbonylContact C-O 3.56Å; K53-I62 WeakPolarHBondContact CA-O 3.46Å; K53-I62 WeakPolarHBondContact CB-O 3.37Å; K53-T63 PolarHBondContact NZ-OG1 3.46Å; K53-I82 CarbonylContact O-C 3.35Å; K53-I82 WeakPolarHBondContact O-CA 3.27Å; K53-I82 WeakPolarHBondContact O-CB 3.49Å; K53-K83 PolarHBondContact N-O 2.83Å; K53-K83 PolarHBondContact O-N 2.94Å; K53-F85 HydrophobicContact CB-CE2 4.43Å; K53-F85 HydrophobicContact CD-CE2 3.83Å; K53-F85 HydrophobicContact CD-CZ 4.35Å; K53-F85 HydrophobicContact CG-CE2 4.08Å
54Y97.5Very high94.5Very high25 Ų2567.8 Ų67.810%0.09833%0.334CS..EExtended strand (participates in β ladder)trans-95.5158.2170.975.4-78.7000111.9D56 F61 I62 I64 A73 L80 Q81Y54-D56 HydrophobicContact CD2-CB 4.46Å; Y54-D56 HydrophobicContact CE2-CB 3.9Å; Y54-F61 CarbonylContact O-C 3.57Å; Y54-F61 VanDerWaalsContact O-CA 3.28Å; Y54-F61 WeakPolarHBondContact O-CA 3.39Å; Y54-I62 HydrophobicContact CD1-CB 4.02Å; Y54-I62 HydrophobicContact CD1-CG2 4.45Å; Y54-I62 HydrophobicContact CE1-CB 3.55Å; Y54-I62 HydrophobicContact CE1-CG1 4.48Å; Y54-I62 HydrophobicContact CE1-CG2 3.64Å; Y54-I62 PolarHBondContact N-O 2.88Å; Y54-I62 PolarHBondContact O-N 3.32Å; Y54-I64 HydrophobicContact CD1-CD1 4Å; Y54-I64 HydrophobicContact CD1-CG1 3.61Å; Y54-I64 HydrophobicContact CE1-CG1 4.29Å; Y54-I64 HydrophobicContact CG-CD1 4.46Å; Y54-I64 HydrophobicContact CG-CG1 4.49Å; Y54-A73 HydrophobicContact CD1-CB 3.73Å; Y54-A73 HydrophobicContact CD2-CB 3.67Å; Y54-A73 HydrophobicContact CE1-CB 3.88Å; Y54-A73 HydrophobicContact CE2-CB 3.85Å; Y54-A73 HydrophobicContact CG-CB 3.61Å; Y54-L80 HydrophobicContact CD2-CD1 4.32Å; Y54-L80 HydrophobicContact CG-CD1 4.31Å; Y54-Q81 CarbonylContact C-O 3.5Å; Y54-Q81 VanDerWaalsContact CA-O 3.24Å; Y54-Q81 WeakPolarHBondContact CA-O 3.14Å
55K97Very high94.6Very high79 Ų7974.2 Ų74.234%0.34336%0.364SS..EExtended strand (participates in β ladder)trans-94.7121.4167.9-172.1-174.6173.577.40109.2G59 D60 F61 Q81K55-G59 VanDerWaalsContact CE-CA 3.49Å; K55-G59 VanDerWaalsContact NZ-C 3.34Å; K55-G59 PolarHBondContact NZ-O 3.31Å; K55-D60 VanDerWaalsContact CA-O 3.3Å; K55-D60 WeakPolarHBondContact CA-O 3.49Å; K55-F61 HydrophobicContact CB-CD1 4.43Å; K55-F61 HydrophobicContact CB-CE1 4.12Å; K55-Q81 HydrophobicContact CB-CB 4.04Å; K55-Q81 PolarHBondContact N-O 3.19Å
56D95.3Very high95Very high37 Ų3774.6 Ų74.620%0.19836%0.363CS..  trans-81.4-162.7178.962.224.3000112.9Y54 D58 G59 D60 I62Y54-D56 HydrophobicContact CD2-CB 4.46Å; Y54-D56 HydrophobicContact CE2-CB 3.9Å; D56-D58 PolarHBondContact OD1-N 2.86Å; D56-G59 WeakPolarHBondContact OD1-CA 3.45Å; D56-G59 PolarHBondContact OD1-N 3.49Å; D56-D60 PolarHBondContact N-O 3.48Å; D56-D60 PolarHBondContact OD1-N 3.47Å; D56-I62 HydrophobicContact CB-CG1 4.23Å; D56-I62 WeakPolarHBondContact OD2-CD1 3.33Å; D56-I62 WeakPolarHBondContact OD2-CG1 3.37Å
57E93.3Very high95.4Very high177 Ų17771.7 Ų71.783%0.82735%0.353SS*.SBendtrans-81.5-34.7-176.962.1-169.7139.700114.4G59E57-G59 VanDerWaalsContact C-N 3.3Å
58D94.4Very high95.7Very high153 Ų15367.9 Ų67.982%0.81834%0.342SS*.SBendtrans-70.5-31.4169.7-71.2-60.1000111.3D56D56-D58 PolarHBondContact OD1-N 2.86Å
59G94.4Very high95.9Very high14 Ų1470.1 Ų70.114%0.14435%0.352CS..  trans110.915.9173.200000115.1K55 D56 E57K55-G59 VanDerWaalsContact CE-CA 3.49Å; K55-G59 VanDerWaalsContact NZ-C 3.34Å; K55-G59 PolarHBondContact NZ-O 3.31Å; D56-G59 WeakPolarHBondContact OD1-CA 3.45Å; D56-G59 PolarHBondContact OD1-N 3.49Å; E57-G59 VanDerWaalsContact C-N 3.3Å
60D96.3Very high96.1Very high113 Ų11364.6 Ų64.660%0.60433%0.326SS*.  trans-83.7165.3175.7-81.6-32.8000112.1K55 D56K55-D60 VanDerWaalsContact CA-O 3.3Å; K55-D60 WeakPolarHBondContact CA-O 3.49Å; D56-D60 PolarHBondContact N-O 3.48Å; D56-D60 PolarHBondContact OD1-N 3.47Å
61F96.4Very high96Very high92 Ų9266.8 Ų66.840%0.40434%0.342SS..EExtended strand (participates in β ladder)trans-102.283.6-176.6-84.6-71.5000112.1K53 Y54 K55 K83K53-F61 HydrophobicContact CB-CB 4.24Å; K53-F61 HydrophobicContact CB-CD1 4.18Å; K53-F61 HydrophobicContact CD-CB 4.26Å; Y54-F61 CarbonylContact O-C 3.57Å; Y54-F61 VanDerWaalsContact O-CA 3.28Å; Y54-F61 WeakPolarHBondContact O-CA 3.39Å; K55-F61 HydrophobicContact CB-CD1 4.43Å; K55-F61 HydrophobicContact CB-CE1 4.12Å; F61-K83 HydrophobicContact CD1-CB 4.23Å; F61-K83 HydrophobicContact CE1-CB 3.76Å; F61-K83 HydrophobicContact CZ-CB 4.27Å
62I97.1Very high96Very high68 Ų6868.4 Ų68.435%0.34935%0.351SS..EExtended strand (participates in β ladder)trans-75141176.9-48.9-55.6000109.9K53 Y54 D56K53-I62 CarbonylContact C-O 3.56Å; K53-I62 WeakPolarHBondContact CA-O 3.46Å; K53-I62 WeakPolarHBondContact CB-O 3.37Å; Y54-I62 HydrophobicContact CD1-CB 4.02Å; Y54-I62 HydrophobicContact CD1-CG2 4.45Å; Y54-I62 HydrophobicContact CE1-CB 3.55Å; Y54-I62 HydrophobicContact CE1-CG1 4.48Å; Y54-I62 HydrophobicContact CE1-CG2 3.64Å; Y54-I62 PolarHBondContact N-O 2.88Å; Y54-I62 PolarHBondContact O-N 3.32Å; D56-I62 HydrophobicContact CB-CG1 4.23Å; D56-I62 WeakPolarHBondContact OD2-CD1 3.33Å; D56-I62 WeakPolarHBondContact OD2-CG1 3.37Å
63T97.5Very high95.9Very high24 Ų2468.4 Ų68.415%0.14735%0.351CS..EExtended strand (participates in β ladder)trans-68.7159.4176.3-46.40000111.3L51 K53 E65L51-T63 HydrophobicContact CD1-CG2 3.53Å; K53-T63 PolarHBondContact NZ-OG1 3.46Å; T63-E65 HydrophobicContact CG2-CG 3.54Å
64I97.7Very high95.7Very high0 Ų067.3 Ų67.30%035%0.347CS..EExtended strand (participates in β ladder)trans-121.4113.4157.5-54.3-178.3000106.7Y29 V52 Y54 D66 E69 L70 A73Y29-I64 HydrophobicContact CD2-CG2 3.63Å; Y29-I64 HydrophobicContact CE2-CB 4.1Å; Y29-I64 HydrophobicContact CE2-CG2 3.59Å; Y29-I64 WeakPolarHBondContact CE2-O 3.3Å; Y29-I64 PolarHBondContact OH-O 3.41Å; V52-I64 HydrophobicContact CB-CB 4.48Å; V52-I64 HydrophobicContact CG1-CD1 4.22Å; V52-I64 PolarHBondContact O-N 2.86Å; Y54-I64 HydrophobicContact CD1-CD1 4Å; Y54-I64 HydrophobicContact CD1-CG1 3.61Å; Y54-I64 HydrophobicContact CE1-CG1 4.29Å; Y54-I64 HydrophobicContact CG-CD1 4.46Å; Y54-I64 HydrophobicContact CG-CG1 4.49Å; I64-D66 WeakPolarHBondContact CG2-O 3.44Å; I64-E69 WeakPolarHBondContact CA-OE2 3.32Å; I64-E69 HydrophobicContact CG2-CB 4.11Å; I64-L70 HydrophobicContact CD1-CD1 4.06Å; I64-L70 HydrophobicContact CG2-CB 3.88Å; I64-A73 HydrophobicContact CD1-CB 4.05Å
65E95.8Very high95.4Very high142 Ų14273.4 Ų73.466%0.66438%0.376SS*.  trans-105.7-26.4176.6-57.1-169.9179.900111.8T63 E69T63-E65 HydrophobicContact CG2-CG 3.54Å; E65-E69 PolarHBondContact N-OE2 2.98Å
66D96.2Very high95.1Very high75 Ų7572.8 Ų72.840%0.40138%0.382SS..SBendtrans-140.9-177.6-177.386.9-6.3000115.5I64 S68 E69 L70I64-D66 WeakPolarHBondContact CG2-O 3.44Å; D66-S68 VanDerWaalsContact C-N 3.31Å; D66-S68 VanDerWaalsContact CG-OG 3.32Å; D66-S68 PolarHBondContact O-N 3.06Å; D66-S68 WeakPolarHBondContact OD1-CA 3.36Å; D66-S68 WeakPolarHBondContact OD1-CB 3.15Å; D66-S68 PolarHBondContact OD1-N 2.87Å; D66-S68 PolarHBondContact OD1-OG 2.86Å; D66-S68 PolarHBondContact OD2-OG 3.47Å; D66-E69 PolarHBondContact OD1-N 3.2Å; D66-L70 PolarHBondContact O-N 2.66Å
67E96.1Very high94.7Very high110 Ų11073.1 Ų73.151%0.51439%0.387SS..Hα-helixtrans-69.9-23.4178.6-58.4-167.5130.800113.8T28 S71T28-E67 WeakPolarHBondContact CB-OE1 3.49Å; T28-E67 WeakPolarHBondContact CG2-OE1 3.46Å; E67-S71 VanDerWaalsContact O-CB 3.31Å; E67-S71 WeakPolarHBondContact O-CB 3.46Å; E67-S71 PolarHBondContact O-N 3.21Å; E67-S71 PolarHBondContact O-OG 2.65Å
68S95.9Very high94.6Very high64 Ų6470.4 Ų70.445%0.44837%0.37SS..Hα-helixtrans-76.3-43.517981.80000111.1D66 L70 S71 L72D66-S68 VanDerWaalsContact C-N 3.31Å; D66-S68 VanDerWaalsContact CG-OG 3.32Å; D66-S68 PolarHBondContact O-N 3.06Å; D66-S68 WeakPolarHBondContact OD1-CA 3.36Å; D66-S68 WeakPolarHBondContact OD1-CB 3.15Å; D66-S68 PolarHBondContact OD1-N 2.87Å; D66-S68 PolarHBondContact OD1-OG 2.86Å; D66-S68 PolarHBondContact OD2-OG 3.47Å; S68-L70 VanDerWaalsContact C-N 3.35Å; S68-S71 WeakPolarHBondContact O-CB 3.3Å; S68-S71 PolarHBondContact O-N 3.42Å; S68-L72 WeakPolarHBondContact O-CG 3.46Å; S68-L72 PolarHBondContact O-N 3.47Å
69E96.1Very high94.5Very high60 Ų6064.6 Ų64.628%0.2834%0.339SS..Hα-helixtrans-65.8-37.8173.6-67-170.6146.800111.5I64 E65 D66 L72 A73I64-E69 WeakPolarHBondContact CA-OE2 3.32Å; I64-E69 HydrophobicContact CG2-CB 4.11Å; E65-E69 PolarHBondContact N-OE2 2.98Å; D66-E69 PolarHBondContact OD1-N 3.2Å; E69-L72 PolarHBondContact O-N 3.26Å; E69-A73 WeakPolarHBondContact O-CB 3.36Å; E69-A73 PolarHBondContact O-N 3.34Å
70L95.9Very high94.6Very high2 Ų264 Ų641%0.0133%0.333CS..Hα-helixtrans-62.9-43.2172.1-179.755.1000111.8I27 L32 I64 D66 S68 L72 A73 I74 L80I27-L70 WeakPolarHBondContact O-CD2 3.28Å; L32-L70 HydrophobicContact CB-CD2 4.4Å; L32-L70 HydrophobicContact CD2-CD1 3.75Å; L32-L70 HydrophobicContact CD2-CD2 4.21Å; I64-L70 HydrophobicContact CD1-CD1 4.06Å; I64-L70 HydrophobicContact CG2-CB 3.88Å; D66-L70 PolarHBondContact O-N 2.66Å; S68-L70 VanDerWaalsContact C-N 3.35Å; L70-L72 VanDerWaalsContact C-N 3.33Å; L70-L72 PolarHBondContact O-N 2.79Å; L70-A73 PolarHBondContact O-N 2.93Å; L70-I74 HydrophobicContact CD1-CD1 3.81Å; L70-I74 HydrophobicContact CD1-CG1 4.1Å; L70-I74 HydrophobicContact CG-CD1 3.87Å; L70-I74 VanDerWaalsContact O-CG1 3.31Å; L70-I74 WeakPolarHBondContact O-CG1 3.07Å; L70-I74 PolarHBondContact O-N 3.46Å; L70-L80 HydrophobicContact CD1-CD2 4.45Å
71S94Very high94.6Very high60 Ų6062.1 Ų62.142%0.4232%0.321SS..Hα-helixtrans-62.1-39.8177.7-64.60000112E67 S68 Q75E67-S71 VanDerWaalsContact O-CB 3.31Å; E67-S71 WeakPolarHBondContact O-CB 3.46Å; E67-S71 PolarHBondContact O-N 3.21Å; E67-S71 PolarHBondContact O-OG 2.65Å; S68-S71 WeakPolarHBondContact O-CB 3.3Å; S68-S71 PolarHBondContact O-N 3.42Å; S71-Q75 VanDerWaalsContact O-CG 3.25Å; S71-Q75 WeakPolarHBondContact O-CG 3.43Å; S71-Q75 PolarHBondContact O-N 3.11Å; S71-Q75 PolarHBondContact O-NE2 3.24Å; S71-Q75 VanDerWaalsContact O-NE2 3.07Å
72L94.3Very high94.7Very high95 Ų9558 Ų5850%0.49730%0.302SS..Hα-helixtrans-64.2-50.3173.3-70.2169.1000111.2S68 E69 L70 I74 Q75 S76S68-L72 WeakPolarHBondContact O-CG 3.46Å; S68-L72 PolarHBondContact O-N 3.47Å; E69-L72 PolarHBondContact O-N 3.26Å; L70-L72 VanDerWaalsContact C-N 3.33Å; L70-L72 PolarHBondContact O-N 2.79Å; L72-I74 VanDerWaalsContact C-N 3.29Å; L72-I74 PolarHBondContact O-N 3.19Å; L72-Q75 WeakPolarHBondContact O-CA 3.48Å; L72-Q75 WeakPolarHBondContact O-CB 3.16Å; L72-Q75 PolarHBondContact O-N 3.07Å; L72-S76 PolarHBondContact O-N 3.12Å; L72-S76 PolarHBondContact O-OG 2.89Å
73A95.1Very high94.7Very high0 Ų056.6 Ų56.60%029%0.294CS..Hα-helixtrans-59.2-36.6-17900000113.4Y54 I64 E69 L70 S77 L80Y54-A73 HydrophobicContact CD1-CB 3.73Å; Y54-A73 HydrophobicContact CD2-CB 3.67Å; Y54-A73 HydrophobicContact CE1-CB 3.88Å; Y54-A73 HydrophobicContact CE2-CB 3.85Å; Y54-A73 HydrophobicContact CG-CB 3.61Å; I64-A73 HydrophobicContact CD1-CB 4.05Å; E69-A73 WeakPolarHBondContact O-CB 3.36Å; E69-A73 PolarHBondContact O-N 3.34Å; L70-A73 PolarHBondContact O-N 2.93Å; A73-S77 PolarHBondContact O-N 3.47Å; A73-L80 HydrophobicContact CB-CD1 3.86Å
74I93.1Very high94.6Very high24 Ų2455.5 Ų55.512%0.12329%0.287CS..Hα-helixtrans-69.3-35.5174.7-69.5168.8000111.7L7 I27 L70 L72 L80L7-I74 HydrophobicContact CD1-CG2 4.48Å; L7-I74 HydrophobicContact CD2-CD1 4.05Å; L7-I74 HydrophobicContact CD2-CG1 3.94Å; L7-I74 HydrophobicContact CD2-CG2 4.3Å; I27-I74 HydrophobicContact CG2-CD1 3.56Å; L70-I74 HydrophobicContact CD1-CD1 3.81Å; L70-I74 HydrophobicContact CD1-CG1 4.1Å; L70-I74 HydrophobicContact CG-CD1 3.87Å; L70-I74 VanDerWaalsContact O-CG1 3.31Å; L70-I74 WeakPolarHBondContact O-CG1 3.07Å; L70-I74 PolarHBondContact O-N 3.46Å; L72-I74 VanDerWaalsContact C-N 3.29Å; L72-I74 PolarHBondContact O-N 3.19Å; I74-L80 HydrophobicContact CG1-CD2 4.07Å
75Q91.1Very high94.4Very high152 Ų15257.3 Ų57.371%0.7130%0.295SS*.Hα-helixtrans-70.4-39.8176.5-72.916954.200112S71 L72 S77S71-Q75 VanDerWaalsContact O-CG 3.25Å; S71-Q75 WeakPolarHBondContact O-CG 3.43Å; S71-Q75 PolarHBondContact O-N 3.11Å; S71-Q75 PolarHBondContact O-NE2 3.24Å; S71-Q75 VanDerWaalsContact O-NE2 3.07Å; L72-Q75 WeakPolarHBondContact O-CA 3.48Å; L72-Q75 WeakPolarHBondContact O-CB 3.16Å; L72-Q75 PolarHBondContact O-N 3.07Å; Q75-S77 VanDerWaalsContact C-N 3.31Å; Q75-S77 PolarHBondContact O-N 3.05Å
76S90.4Very high94.3Very high66 Ų6651 Ų5146%0.46227%0.266SS..Hα-helixtrans-61.4-33.6177.2-56.10000113.4L72L72-S76 PolarHBondContact O-N 3.12Å; L72-S76 PolarHBondContact O-OG 2.89Å
77S88.4Confident93.9Very high45 Ų4551.1 Ų51.132%0.31527%0.269SS..  trans-155127.3-178.6-176.70000115.3A73 Q75 V79 L80A73-S77 PolarHBondContact O-N 3.47Å; Q75-S77 VanDerWaalsContact C-N 3.31Å; Q75-S77 PolarHBondContact O-N 3.05Å; S77-V79 PolarHBondContact O-N 3.43Å; S77-V79 VanDerWaalsContact O-N 3.15Å; S77-V79 PolarHBondContact OG-N 3.17Å; S77-V79 PolarHBondContact OG-O 2.83Å; S77-V79 VanDerWaalsContact OG-O 3.11Å; S77-L80 PolarHBondContact O-N 2.95Å
78R89.9Confident93.2Very high120 Ų12050.9 Ų50.945%0.45327%0.272SS..SBendtrans-63.8-13.6166.4-58.4-52.8-167.3140.8-2.7113.6I8 E25I8-R78 PolarHBondContact N-O 2.66Å; E25-R78 IonicContact OE1-CZ 2.69Å; E25-R78 IonicContact OE1-NH1 3.67Å; E25-R78 PolarHBondContact OE1-NH1 2.75Å; E25-R78 IonicContact OE1-NH2 2.64Å
79V93.7Very high92.2Very high30 Ų3050.6 Ų50.618%0.18226%0.262CS..SBendtrans-121.270.4171.4-1710000109.2L3 I8 K10 S77 Q81L3-V79 HydrophobicContact CD1-CG2 3.82Å; I8-V79 HydrophobicContact CB-CG2 4.5Å; I8-V79 HydrophobicContact CG2-CG1 4.39Å; I8-V79 CarbonylContact O-C 3.57Å; I8-V79 VanDerWaalsContact O-CA 3.29Å; I8-V79 WeakPolarHBondContact O-CA 3.43Å; K10-V79 HydrophobicContact CD-CG1 3.85Å; K10-V79 HydrophobicContact CG-CG1 4.21Å; S77-V79 PolarHBondContact O-N 3.43Å; S77-V79 VanDerWaalsContact O-N 3.15Å; S77-V79 PolarHBondContact OG-N 3.17Å; S77-V79 PolarHBondContact OG-O 2.83Å; S77-V79 VanDerWaalsContact OG-O 3.11Å; V79-Q81 PolarHBondContact O-N 2.83Å
80L95.2Very high90.5Very high2 Ų250.5 Ų50.51%0.0127%0.267CS..  trans-59.4121.7179.1179.455.8000110.9L7 I8 I9 K10 Y54 L70 A73 I74 S77 I82L7-L80 HydrophobicContact CD1-CB 3.98Å; I8-L80 PolarHBondContact O-N 3.21Å; I8-L80 VanDerWaalsContact O-N 3.13Å; I9-L80 CarbonylContact C-O 3.52Å; I9-L80 WeakPolarHBondContact CA-O 3.39Å; I9-L80 HydrophobicContact CG1-CB 4.47Å; I9-L80 HydrophobicContact CG1-CD2 4.43Å; K10-L80 PolarHBondContact N-O 3.5Å; Y54-L80 HydrophobicContact CD2-CD1 4.32Å; Y54-L80 HydrophobicContact CG-CD1 4.31Å; L70-L80 HydrophobicContact CD1-CD2 4.45Å; A73-L80 HydrophobicContact CB-CD1 3.86Å; I74-L80 HydrophobicContact CG1-CD2 4.07Å; S77-L80 PolarHBondContact O-N 2.95Å; L80-I82 HydrophobicContact CD1-CG2 4.19Å; L80-I82 HydrophobicContact CD2-CG2 4.36Å; L80-I82 HydrophobicContact CG-CG2 3.91Å
81Q97.1Very high88.7Confident74 Ų7455.3 Ų55.335%0.34629%0.289SS..EExtended strand (participates in β ladder)trans-103.3123.1177.5-76173.912400108.7K10 Y54 K55 V79K10-Q81 HydrophobicContact CB-CG 3.97Å; K10-Q81 HydrophobicContact CD-CG 3.52Å; K10-Q81 HydrophobicContact CG-CG 4.4Å; K10-Q81 VanDerWaalsContact NZ-OE1 3.09Å; Y54-Q81 CarbonylContact C-O 3.5Å; Y54-Q81 VanDerWaalsContact CA-O 3.24Å; Y54-Q81 WeakPolarHBondContact CA-O 3.14Å; K55-Q81 HydrophobicContact CB-CB 4.04Å; K55-Q81 PolarHBondContact N-O 3.19Å; V79-Q81 PolarHBondContact O-N 2.83Å
82I97.6Very high86.5Confident4 Ų456.6 Ų56.62%0.02129%0.291CS..EExtended strand (participates in β ladder)trans-126.9141.5179.569.5177.6000112.2I9 K10 A11 Q12 L32 M36 V52 K53 L80 I84I9-I82 HydrophobicContact CG2-CD1 3.76Å; I9-I82 HydrophobicContact CG2-CG1 3.98Å; K10-I82 PolarHBondContact O-N 2.93Å; A11-I82 HydrophobicContact CB-CD1 4.01Å; A11-I82 HydrophobicContact CB-CG1 3.8Å; Q12-I82 PolarHBondContact N-O 3.09Å; L32-I82 HydrophobicContact CD1-CD1 4.34Å; M36-I82 HydrophobicContact CE-CD1 3.84Å; M36-I82 HydrophobicContact CG-CD1 4.36Å; M36-I82 HydrophobicContact SD-CD1 4.11Å; V52-I82 HydrophobicContact CG1-CB 4.17Å; V52-I82 HydrophobicContact CG1-CD1 4.17Å; V52-I82 HydrophobicContact CG1-CG2 4.28Å; K53-I82 CarbonylContact O-C 3.35Å; K53-I82 WeakPolarHBondContact O-CA 3.27Å; K53-I82 WeakPolarHBondContact O-CB 3.49Å; L80-I82 HydrophobicContact CD1-CG2 4.19Å; L80-I82 HydrophobicContact CD2-CG2 4.36Å; L80-I82 HydrophobicContact CG-CG2 3.91Å; I82-I84 HydrophobicContact CD1-CG1 4.35Å
83K96.8Very high84.5Confident40 Ų4055.2 Ų55.217%0.17428%0.284CS..EExtended strand (participates in β ladder)trans-106.7129.1163.5-173.4-179.9169.7-164.40108.2Q12 K53 F61 F85 E91Q12-K83 WeakPolarHBondContact O-CA 3.44Å; K53-K83 PolarHBondContact N-O 2.83Å; K53-K83 PolarHBondContact O-N 2.94Å; F61-K83 HydrophobicContact CD1-CB 4.23Å; F61-K83 HydrophobicContact CE1-CB 3.76Å; F61-K83 HydrophobicContact CZ-CB 4.27Å; K83-F85 HydrophobicContact CB-CE2 4.11Å; K83-F85 HydrophobicContact CD-CE1 4.09Å; K83-F85 HydrophobicContact CD-CE2 3.74Å; K83-F85 HydrophobicContact CD-CZ 3.43Å; K83-F85 VanDerWaalsContact CD-CZ 3.43Å; K83-F85 VanDerWaalsContact CE-CE1 3.4Å; K83-F85 HydrophobicContact CG-CD2 4.32Å; K83-F85 HydrophobicContact CG-CE2 3.71Å; K83-F85 HydrophobicContact CG-CZ 3.95Å; K83-F85 VanDerWaalsContact NZ-CZ 3.32Å; K83-E91 IonicContact NZ-OE1 2.75Å; K83-E91 PolarHBondContact NZ-OE1 2.98Å
84I96.2Very high82.4Confident0 Ų055.9 Ų55.90%029%0.286CS..EExtended strand (participates in β ladder)trans-101.8139.4179-55.9153.4000107.7A11 Q12 L13 M36 F40 I44 L50 I82 Q94A11-I84 HydrophobicContact CB-CD1 4.08Å; Q12-I84 PolarHBondContact O-N 2.92Å; L13-I84 HydrophobicContact CD1-CB 4.12Å; L13-I84 HydrophobicContact CD1-CG2 4.12Å; L13-I84 WeakPolarHBondContact CD1-O 3.33Å; M36-I84 HydrophobicContact CB-CD1 3.94Å; M36-I84 HydrophobicContact CG-CD1 3.68Å; M36-I84 HydrophobicContact CG-CG1 4.25Å; M36-I84 HydrophobicContact SD-CD1 3.68Å; F40-I84 HydrophobicContact CD2-CD1 3.71Å; F40-I84 HydrophobicContact CE2-CD1 3.41Å; F40-I84 VanDerWaalsContact CE2-CD1 3.41Å; F40-I84 HydrophobicContact CZ-CD1 4.28Å; I44-I84 HydrophobicContact CD1-CG2 4.26Å; L50-I84 HydrophobicContact CD1-CG2 4.38Å; L50-I84 HydrophobicContact CD2-CG2 4.37Å; I82-I84 HydrophobicContact CD1-CG1 4.35Å; I84-Q94 PolarHBondContact O-OE1 3.28Å
85F94.4Very high80.2Confident39 Ų3957.3 Ų57.317%0.17130%0.298CS..EExtended strand (participates in β ladder)trans-126.8147.5169.3-51.5-113.7000108.6L50 L51 K53 K83 E91L50-F85 WeakPolarHBondContact CA-O 3.48Å; L51-F85 HydrophobicContact CB-CB 4.29Å; L51-F85 PolarHBondContact N-O 2.91Å; L51-F85 PolarHBondContact O-N 3.4Å; K53-F85 HydrophobicContact CB-CE2 4.43Å; K53-F85 HydrophobicContact CD-CE2 3.83Å; K53-F85 HydrophobicContact CD-CZ 4.35Å; K53-F85 HydrophobicContact CG-CE2 4.08Å; K83-F85 HydrophobicContact CB-CE2 4.11Å; K83-F85 HydrophobicContact CD-CE1 4.09Å; K83-F85 HydrophobicContact CD-CE2 3.74Å; K83-F85 HydrophobicContact CD-CZ 3.43Å; K83-F85 VanDerWaalsContact CD-CZ 3.43Å; K83-F85 VanDerWaalsContact CE-CE1 3.4Å; K83-F85 HydrophobicContact CG-CD2 4.32Å; K83-F85 HydrophobicContact CG-CE2 3.71Å; K83-F85 HydrophobicContact CG-CZ 3.95Å; K83-F85 VanDerWaalsContact NZ-CZ 3.32Å; F85-E91 WeakPolarHBondContact CE1-OE1 3.27Å
86V93.4Very high78.1Confident8 Ų853.5 Ų53.55%0.04829%0.286CS..EExtended strand (participates in β ladder)trans-99.6116.8172.4177.70000107.8I44 D48 E49 L50 N88 K89I44-V86 HydrophobicContact CD1-CG2 4.5Å; I44-V86 HydrophobicContact CG1-CG2 4.01Å; D48-V86 HydrophobicContact CB-CG1 3.75Å; D48-V86 WeakPolarHBondContact OD1-CG1 3.4Å; E49-V86 WeakPolarHBondContact O-CA 3.24Å; L50-V86 HydrophobicContact CD2-CB 4.39Å; L50-V86 HydrophobicContact CD2-CG2 3.7Å; V86-N88 VanDerWaalsContact C-N 3.31Å; V86-N88 PolarHBondContact O-N 2.96Å; V86-K89 HydrophobicContact CB-CB 4.04Å; V86-K89 HydrophobicContact CB-CD 4.32Å; V86-K89 HydrophobicContact CB-CG 4.46Å; V86-K89 HydrophobicContact CG1-CB 3.88Å; V86-K89 HydrophobicContact CG1-CD 3.83Å; V86-K89 HydrophobicContact CG1-CG 3.85Å; V86-K89 PolarHBondContact O-N 3.4Å
87V88.3Confident76Confident78 Ų7852 Ų5247%0.47328%0.277SS..THydrogen-bonded Turntrans-61.2-42.9-173.3-179.90000110.9E49 L51 K89E49-V87 HydrophobicContact CB-CB 4.18Å; E49-V87 HydrophobicContact CB-CG2 4.36Å; E49-V87 HydrophobicContact CG-CB 4.17Å; E49-V87 HydrophobicContact CG-CG2 3.92Å; E49-V87 PolarHBondContact O-N 3.26Å; L51-V87 HydrophobicContact CB-CG2 3.98Å; V87-K89 PolarHBondContact O-N 2.75Å
88N81.4Confident73.7Confident105 Ų10554.6 Ų54.656%0.56129%0.293SS*.THydrogen-bonded Turntrans-79.910.2-177.3-64.2-38000114.4V86V86-N88 VanDerWaalsContact C-N 3.31Å; V86-N88 PolarHBondContact O-N 2.96Å
89K73.1Confident71.5Confident58 Ų5857 Ų5725%0.25231%0.307SS..SBendtrans-136.5119.3-178.5-71.9178.2-176.8155.30111.3Y43 D48 V86 V87 E91 L93Y43-K89 PolarHBondContact O-NZ 3.04Å; D48-K89 WeakPolarHBondContact OD1-CE 3.36Å; D48-K89 IonicContact OD1-NZ 3.01Å; D48-K89 PolarHBondContact OD1-NZ 3.08Å; D48-K89 IonicContact OD2-NZ 2.62Å; D48-K89 PolarHBondContact OD2-NZ 3.2Å; V86-K89 HydrophobicContact CB-CB 4.04Å; V86-K89 HydrophobicContact CB-CD 4.32Å; V86-K89 HydrophobicContact CB-CG 4.46Å; V86-K89 HydrophobicContact CG1-CB 3.88Å; V86-K89 HydrophobicContact CG1-CD 3.83Å; V86-K89 HydrophobicContact CG1-CG 3.85Å; V86-K89 PolarHBondContact O-N 3.4Å; V87-K89 PolarHBondContact O-N 2.75Å; K89-E91 PolarHBondContact O-N 2.87Å; K89-L93 HydrophobicContact CB-CD1 3.9Å; K89-L93 HydrophobicContact CD-CD1 4.39Å; K89-L93 HydrophobicContact CG-CD1 4.07Å
90P60.9Low69.2Low58 Ų5864.6 Ų64.638%0.37734%0.337SS..  trans-59.3136.6179.725-35000111.5I92 L93P90-I92 PolarHBondContact O-N 2.75Å; P90-L93 HydrophobicContact CG-CD1 4.4Å; P90-L93 PolarHBondContact O-N 3.21Å
91E57.9Low66.5Low103 Ų10370.5 Ų70.548%0.48137%0.369SS..G310 helixtrans-49.8-33.1-160-171.4173.4-169.500114.9K83 F85 K89 L93 Q94K83-E91 IonicContact NZ-OE1 2.75Å; K83-E91 PolarHBondContact NZ-OE1 2.98Å; F85-E91 WeakPolarHBondContact CE1-OE1 3.27Å; K89-E91 PolarHBondContact O-N 2.87Å; E91-L93 PolarHBondContact O-N 2.81Å; E91-L93 VanDerWaalsContact O-N 3.09Å; E91-Q94 VanDerWaalsContact O-CB 3.3Å; E91-Q94 WeakPolarHBondContact O-CB 3.28Å; E91-Q94 WeakPolarHBondContact O-CG 3.39Å; E91-Q94 PolarHBondContact O-N 3.04Å
92I48.4Very low64Low88 Ų8877.3 Ų77.345%0.45139%0.391SS..G310 helixtrans-58-25.3-179.7-32.4-174.6000112.9P90 Q94 C95 Q123P90-I92 PolarHBondContact O-N 2.75Å; I92-Q94 PolarHBondContact O-N 2.71Å; I92-C95 WeakPolarHBondContact O-CB 3.08Å; I92-C95 PolarHBondContact O-N 3.32Å; I92-C95 VanDerWaalsContact O-N 3.12Å; I92-Q123 HydrophobicContact CD1-CG 4.01Å
93L51.5Low61.3Low66 Ų6686.6 Ų86.635%0.34643%0.432SS..G310 helixtrans-62.9-24.6174.2-73.5175.7000113K89 P90 E91 C95 T96K89-L93 HydrophobicContact CB-CD1 3.9Å; K89-L93 HydrophobicContact CD-CD1 4.39Å; K89-L93 HydrophobicContact CG-CD1 4.07Å; P90-L93 HydrophobicContact CG-CD1 4.4Å; P90-L93 PolarHBondContact O-N 3.21Å; E91-L93 PolarHBondContact O-N 2.81Å; E91-L93 VanDerWaalsContact O-N 3.09Å; L93-C95 VanDerWaalsContact C-N 3.25Å; L93-C95 PolarHBondContact O-N 2.82Å; L93-T96 PolarHBondContact O-OG1 2.82Å
94Q52.6Low59Low13 Ų1391 Ų916%0.06146%0.457CS..G310 helixtrans-73.6-16.1177.6-51.7176.927.100112.9L13 G14 H15 I84 E91 I92 T96L13-Q94 HydrophobicContact CD1-CG 3.99Å; G14-Q94 WeakPolarHBondContact CA-O 3.08Å; H15-Q94 PolarHBondContact N-O 3.26Å; I84-Q94 PolarHBondContact O-OE1 3.28Å; E91-Q94 VanDerWaalsContact O-CB 3.3Å; E91-Q94 WeakPolarHBondContact O-CB 3.28Å; E91-Q94 WeakPolarHBondContact O-CG 3.39Å; E91-Q94 PolarHBondContact O-N 3.04Å; I92-Q94 PolarHBondContact O-N 2.71Å; Q94-T96 PolarHBondContact O-N 2.82Å
95C46.7Very low56.8Low55 Ų5598.3 Ų98.337%0.37250%0.496SS..G310 helixtrans-76.61.6178.3-64.40000113.6H15 I92 L93 A97H15-C95 PolarHBondContact CD2-O 3.42Å; H15-C95 VanDerWaalsContact CD2-O 3.28Å; I92-C95 WeakPolarHBondContact O-CB 3.08Å; I92-C95 PolarHBondContact O-N 3.32Å; I92-C95 VanDerWaalsContact O-N 3.12Å; L93-C95 VanDerWaalsContact C-N 3.25Å; L93-C95 PolarHBondContact O-N 2.82Å; C95-A97 PolarHBondContact O-N 2.93Å
96T46.2Very low54.1Low72 Ų72106 Ų10644%0.44253%0.533SS..  trans-82.849.8-172.755.30000114.5Y43 L93 Q94Y43-T96 WeakPolarHBondContact CE1-O 3.43Å; Y43-T96 PolarHBondContact OH-O 3.49Å; L93-T96 PolarHBondContact O-OG1 2.82Å; Q94-T96 PolarHBondContact O-N 2.82Å
97A45.9Very low51.8Low35 Ų35110.1 Ų110.129%0.28957%0.567SS.*  trans-66.3127.6162.200000109.5H15 C95 F99H15-A97 HydrophobicContact CB-CB 4.04Å; C95-A97 PolarHBondContact O-N 2.93Å; A97-F99 PolarHBondContact O-N 2.87Å; A97-F99 VanDerWaalsContact O-N 3.08Å
98P41.1Very low50Low98 Ų98115.7 Ų115.764%0.63659%0.585SS**  trans-66.3114.4172.926.3-32.5000108.8K100P98-K100 VanDerWaalsContact C-N 3.29Å; P98-K100 PolarHBondContact O-N 2.83Å
99F44Very low48Very low171 Ų171121.1 Ų121.175%0.7560%0.604SS**  trans-61.187.3178.5-84.7-93.9000110.9A97 N101A97-F99 PolarHBondContact O-N 2.87Å; A97-F99 VanDerWaalsContact O-N 3.08Å; F99-N101 PolarHBondContact O-N 3.28Å
100K43.6Very low47Very low190 Ų190125.6 Ų125.683%0.82663%0.63SS**  trans-71.977.3161.4-72-174.3178.2179.20107.7P98 R102P98-K100 VanDerWaalsContact C-N 3.29Å; P98-K100 PolarHBondContact O-N 2.83Å; K100-R102 PolarHBondContact O-N 2.89Å
101N39.3Very low46.4Very low125 Ų125129.1 Ų129.167%0.66864%0.641SS**  trans-47.5124.6177.8-71-22.8000109.4F99F99-N101 PolarHBondContact O-N 3.28Å
102R44.6Very low46.3Very low217 Ų217128.5 Ų128.582%0.81965%0.648SS**  trans-63.1148.4165.6-66.1-178.4-177.4178.21.8107.5K100 D104K100-R102 PolarHBondContact O-N 2.89Å; R102-D104 VanDerWaalsContact C-N 3.3Å; R102-D104 WeakPolarHBondContact CB-OD2 3.44Å; R102-D104 PolarHBondContact O-N 3.38Å
103K41.3Very low46.7Very low200 Ų200126.4 Ų126.487%0.8765%0.649SS**  trans-76.891.2170.7-70.7-175.3177.1-174.10107.7
104D47.7Very low47.4Very low133 Ų133128.1 Ų128.171%0.71166%0.658SS**  trans-119.5130.5162.2-61.5-71.1000105.7R102R102-D104 VanDerWaalsContact C-N 3.3Å; R102-D104 WeakPolarHBondContact CB-OD2 3.44Å; R102-D104 PolarHBondContact O-N 3.38Å
105D50.1Low48Very low152 Ų152131.4 Ų131.481%0.81368%0.679SS**  trans-81.3160.5-157.7-64.8-77.5000115.4A107D105-A107 PolarHBondContact O-N 2.92Å
106E38Very low49Very low202 Ų202134.1 Ų134.194%0.94469%0.689SS**  trans57.246.5157-146.4179.1132.700119.1
107A46Very low50.3Low93 Ų93133.9 Ų133.977%0.76969%0.69SS**  trans-127.797.7167.100000113.8D105D105-A107 PolarHBondContact O-N 2.92Å
108K49.4Very low52Low196 Ų196137.3 Ų137.385%0.85270%0.703SS**  trans29.999.3158.6-65.7179.6-178.7175.90117.6L110K108-L110 PolarHBondContact O-N 2.95Å
109K40.6Very low53.7Low219 Ų219136.3 Ų136.395%0.95270%0.695SS**  trans-52.793.5163.4-179.1-164.9174.8-168.40111.8
110L50.1Low55.1Low152 Ų152134.7 Ų134.780%0.79669%0.685SS**  trans-122.2114.3168.8-99.3164.3000109.8K108 S112K108-L110 PolarHBondContact O-N 2.95Å; L110-S112 PolarHBondContact O-N 2.93Å
111E48.6Very low56.8Low131 Ų131129.3 Ų129.361%0.61266%0.663SS**  trans-11.188.8171-138.997.9-155.700116.6G113 D114E111-G113 PolarHBondContact O-N 3.01Å; E111-G113 VanDerWaalsContact O-N 3.11Å; E111-D114 HydrophobicContact CB-CB 4.06Å; E111-D114 HydrophobicContact CG-CB 4.17Å; E111-D114 PolarHBondContact O-N 2.62Å
112S57.1Low59.1Low90 Ų90128.2 Ų128.263%0.62966%0.656SS**THydrogen-bonded Turntrans-71.9-0.5175.964.10000114.2L110L110-S112 PolarHBondContact O-N 2.93Å
113G57.1Low60.7Low45 Ų45118.9 Ų118.946%0.46462%0.622SS.*THydrogen-bonded Turntrans-83.1-43.4167.800000111.9E111 T115 L116 S117E111-G113 PolarHBondContact O-N 3.01Å; E111-G113 VanDerWaalsContact O-N 3.11Å; G113-T115 PolarHBondContact O-N 2.75Å; G113-L116 PolarHBondContact O-N 3.2Å; G113-S117 WeakPolarHBondContact O-CB 3.33Å; G113-S117 PolarHBondContact O-N 2.89Å
114D65.4Low62.7Low101 Ų101115.8 Ų115.854%0.5461%0.605SS.*Hα-helixtrans-68.2-34.9-177-74.40.7000112.4E111 L116 S117 L118E111-D114 HydrophobicContact CB-CB 4.06Å; E111-D114 HydrophobicContact CG-CB 4.17Å; E111-D114 PolarHBondContact O-N 2.62Å; D114-L116 VanDerWaalsContact C-N 3.33Å; D114-L116 PolarHBondContact O-N 3.16Å; D114-S117 PolarHBondContact O-N 3.34Å; D114-L118 WeakPolarHBondContact O-CB 3.48Å; D114-L118 PolarHBondContact O-N 3.23Å
115T64.6Low64.6Low83 Ų83113.8 Ų113.851%0.50959%0.594SS.*Hα-helixtrans-64.5-37.8175.552.70000112.1G113 V119G113-T115 PolarHBondContact O-N 2.75Å; T115-V119 WeakPolarHBondContact O-CB 3.38Å; T115-V119 VanDerWaalsContact O-CG2 3.27Å; T115-V119 WeakPolarHBondContact O-CG2 3.43Å; T115-V119 PolarHBondContact O-N 3.34Å
116L67.7Low66.5Low112 Ų112108.2 Ų108.259%0.58657%0.573SS**Hα-helixtrans-71.1-41.4174.2-66.7173.9000111.7G113 D114 V119 Y120G113-L116 PolarHBondContact O-N 3.2Å; D114-L116 VanDerWaalsContact C-N 3.33Å; D114-L116 PolarHBondContact O-N 3.16Å; L116-V119 PolarHBondContact O-N 2.88Å; L116-Y120 WeakPolarHBondContact O-CB 3.31Å; L116-Y120 PolarHBondContact O-N 2.86Å
117S74.5Confident68.8Low66 Ų66102 Ų10246%0.46255%0.546SS..Hα-helixtrans-60.3-46.9174.9-168.10000111.5G113 D114 Y120 E121G113-S117 WeakPolarHBondContact O-CB 3.33Å; G113-S117 PolarHBondContact O-N 2.89Å; D114-S117 PolarHBondContact O-N 3.34Å; S117-Y120 PolarHBondContact O-N 2.82Å; S117-E121 WeakPolarHBondContact O-CG 3.32Å; S117-E121 PolarHBondContact O-N 2.83Å
118L80.8Confident70.9Confident107 Ų107103.3 Ų103.356%0.5654%0.536SS*.Hα-helixtrans-63.9-41.9177.6-179.262000112.2D114 Y120 E121 L122D114-L118 WeakPolarHBondContact O-CB 3.48Å; D114-L118 PolarHBondContact O-N 3.23Å; L118-Y120 VanDerWaalsContact C-N 3.31Å; L118-Y120 PolarHBondContact O-N 2.86Å; L118-E121 PolarHBondContact O-N 2.84Å; L118-L122 HydrophobicContact CD1-CD1 4.13Å; L118-L122 HydrophobicContact CD1-CG 4.14Å; L118-L122 HydrophobicContact CG-CD1 3.95Å; L118-L122 HydrophobicContact CG-CG 4.4Å; L118-L122 VanDerWaalsContact O-CB 3.29Å; L118-L122 WeakPolarHBondContact O-CB 3.46Å; L118-L122 WeakPolarHBondContact O-CG 3.36Å; L118-L122 PolarHBondContact O-N 3Å
119V77Confident72.8Confident77 Ų7798.8 Ų98.847%0.46752%0.52SS..Hα-helixtrans-62.4-39.8174.3167.20000111T115 L116 Q123T115-V119 WeakPolarHBondContact O-CB 3.38Å; T115-V119 VanDerWaalsContact O-CG2 3.27Å; T115-V119 WeakPolarHBondContact O-CG2 3.43Å; T115-V119 PolarHBondContact O-N 3.34Å; L116-V119 PolarHBondContact O-N 2.88Å; V119-Q123 VanDerWaalsContact O-CB 3.32Å; V119-Q123 WeakPolarHBondContact O-CB 3.41Å; V119-Q123 PolarHBondContact O-N 2.64Å
120Y73.2Confident75.1Confident137 Ų13793.1 Ų93.154%0.53750%0.499SS..Hα-helixtrans-67.6-43.2176.4-174.4-98.7000112.8L116 S117 L118 Q123 R124L116-Y120 WeakPolarHBondContact O-CB 3.31Å; L116-Y120 PolarHBondContact O-N 2.86Å; S117-Y120 PolarHBondContact O-N 2.82Å; L118-Y120 VanDerWaalsContact C-N 3.31Å; L118-Y120 PolarHBondContact O-N 2.86Å; Y120-Q123 PolarHBondContact O-N 2.86Å; Y120-R124 PolarHBondContact O-N 2.86Å
121E80.2Confident76.9Confident78 Ų7890.5 Ų90.536%0.36449%0.486SS..Hα-helixtrans-62.4-44.8174.1-73.1-62.9122.700111.8S117 L118 Q123 R124 L125S117-E121 WeakPolarHBondContact O-CG 3.32Å; S117-E121 PolarHBondContact O-N 2.83Å; L118-E121 PolarHBondContact O-N 2.84Å; E121-Q123 VanDerWaalsContact C-N 3.34Å; E121-Q123 PolarHBondContact O-N 3.13Å; E121-R124 VanDerWaalsContact CD-NH1 3.28Å; E121-R124 PolarHBondContact O-N 2.77Å; E121-R124 IonicContact OE1-CZ 3.53Å; E121-R124 IonicContact OE1-NH1 2.65Å; E121-R124 PolarHBondContact OE1-NH1 3.43Å; E121-R124 IonicContact OE1-NH2 3.67Å; E121-R124 IonicContact OE2-CZ 3.28Å; E121-R124 VanDerWaalsContact OE2-CZ 3.28Å; E121-R124 IonicContact OE2-NH1 3.21Å; E121-R124 PolarHBondContact OE2-NH1 3.3Å; E121-R124 IonicContact OE2-NH2 2.66Å; E121-R124 PolarHBondContact OE2-NH2 3.45Å; E121-L125 WeakPolarHBondContact O-CB 3.29Å; E121-L125 PolarHBondContact O-N 3.39Å
122L87.2Confident78.9Confident101 Ų10186.6 Ų86.653%0.52947%0.471SS..Hα-helixtrans-63.7-37.5175.3-72.8171.9000111.9L118 L125 G126L118-L122 HydrophobicContact CD1-CD1 4.13Å; L118-L122 HydrophobicContact CD1-CG 4.14Å; L118-L122 HydrophobicContact CG-CD1 3.95Å; L118-L122 HydrophobicContact CG-CG 4.4Å; L118-L122 VanDerWaalsContact O-CB 3.29Å; L118-L122 WeakPolarHBondContact O-CB 3.46Å; L118-L122 WeakPolarHBondContact O-CG 3.36Å; L118-L122 PolarHBondContact O-N 3Å; L122-L125 PolarHBondContact O-N 2.74Å; L122-G126 PolarHBondContact O-N 2.97Å
123Q77.8Confident80.4Confident22 Ų2284.6 Ų84.610%0.10346%0.46CS..Hα-helixtrans-68.8-41.6174.5-173.3176.115.500111.8I92 V119 Y120 E121 L125 G126 N127I92-Q123 HydrophobicContact CD1-CG 4.01Å; V119-Q123 VanDerWaalsContact O-CB 3.32Å; V119-Q123 WeakPolarHBondContact O-CB 3.41Å; V119-Q123 PolarHBondContact O-N 2.64Å; Y120-Q123 PolarHBondContact O-N 2.86Å; E121-Q123 VanDerWaalsContact C-N 3.34Å; E121-Q123 PolarHBondContact O-N 3.13Å; Q123-L125 VanDerWaalsContact C-N 3.3Å; Q123-L125 PolarHBondContact O-N 2.69Å; Q123-G126 PolarHBondContact O-N 2.88Å; Q123-N127 WeakPolarHBondContact O-CB 3.4Å; Q123-N127 VanDerWaalsContact O-CG 3.31Å; Q123-N127 PolarHBondContact O-N 3.15Å; Q123-N127 PolarHBondContact O-ND2 2.71Å
124R82.8Confident81.8Confident134 Ų13486.5 Ų86.551%0.50646%0.46SS..Hα-helixtrans-62.9-40.2174.4-164.7-173.771.6-122.1-12.2110.9Y120 E121 H128Y120-R124 PolarHBondContact O-N 2.86Å; E121-R124 VanDerWaalsContact CD-NH1 3.28Å; E121-R124 PolarHBondContact O-N 2.77Å; E121-R124 IonicContact OE1-CZ 3.53Å; E121-R124 IonicContact OE1-NH1 2.65Å; E121-R124 PolarHBondContact OE1-NH1 3.43Å; E121-R124 IonicContact OE1-NH2 3.67Å; E121-R124 IonicContact OE2-CZ 3.28Å; E121-R124 VanDerWaalsContact OE2-CZ 3.28Å; E121-R124 IonicContact OE2-NH1 3.21Å; E121-R124 PolarHBondContact OE2-NH1 3.3Å; E121-R124 IonicContact OE2-NH2 2.66Å; E121-R124 PolarHBondContact OE2-NH2 3.45Å; R124-H128 VanDerWaalsContact O-CB 3.3Å; R124-H128 WeakPolarHBondContact O-CB 3.48Å; R124-H128 PolarHBondContact O-N 2.69Å
125L88.4Confident82.9Confident91 Ų9190 Ų9048%0.47647%0.465SS..Hα-helixtrans-64.6-45.4174.8-178.461.1000111.6E121 L122 Q123 H128 I129E121-L125 WeakPolarHBondContact O-CB 3.29Å; E121-L125 PolarHBondContact O-N 3.39Å; L122-L125 PolarHBondContact O-N 2.74Å; Q123-L125 VanDerWaalsContact C-N 3.3Å; Q123-L125 PolarHBondContact O-N 2.69Å; L125-H128 PolarHBondContact O-N 2.79Å; L125-I129 HydrophobicContact CD1-CD1 4.07Å; L125-I129 HydrophobicContact CD1-CG1 4.3Å; L125-I129 HydrophobicContact CG-CD1 3.88Å; L125-I129 VanDerWaalsContact O-CG1 3.29Å; L125-I129 WeakPolarHBondContact O-CG1 3.41Å; L125-I129 PolarHBondContact O-N 3.48Å
126G90.9Very high83.9Confident36 Ų3690.5 Ų90.537%0.37146%0.463SS..Hα-helixtrans-60-47.6176.200000112.6L122 Q123 H128 I129 L130L122-G126 PolarHBondContact O-N 2.97Å; Q123-G126 PolarHBondContact O-N 2.88Å; G126-H128 VanDerWaalsContact C-N 3.3Å; G126-H128 PolarHBondContact O-N 3.22Å; G126-I129 PolarHBondContact O-N 3.36Å; G126-L130 PolarHBondContact O-N 3.47Å
127N85.5Confident84.6Confident70 Ų7091.3 Ų91.337%0.37446%0.464SS..Hα-helixtrans-61.6-37.3174.3-71-17.5000112Q123 N131Q123-N127 WeakPolarHBondContact O-CB 3.4Å; Q123-N127 VanDerWaalsContact O-CG 3.31Å; Q123-N127 PolarHBondContact O-N 3.15Å; Q123-N127 PolarHBondContact O-ND2 2.71Å; N127-N131 WeakPolarHBondContact O-CB 3.22Å; N127-N131 PolarHBondContact O-N 2.98Å; N127-N131 PolarHBondContact O-ND2 3.26Å
128H89.1Confident85Confident121 Ų12196 Ų9656%0.5648%0.476SS*.Hα-helixtrans-68.2-42.8175.9-173.274.4000112R124 L125 G126 L130 N131 V132R124-H128 VanDerWaalsContact O-CB 3.3Å; R124-H128 WeakPolarHBondContact O-CB 3.48Å; R124-H128 PolarHBondContact O-N 2.69Å; L125-H128 PolarHBondContact O-N 2.79Å; G126-H128 VanDerWaalsContact C-N 3.3Å; G126-H128 PolarHBondContact O-N 3.22Å; H128-L130 VanDerWaalsContact C-N 3.34Å; H128-L130 PolarHBondContact O-N 2.95Å; H128-N131 PolarHBondContact O-N 3.23Å; H128-V132 WeakPolarHBondContact O-CG2 3.46Å; H128-V132 PolarHBondContact O-N 3Å
129I91Very high84.6Confident101 Ų10194.5 Ų94.552%0.51847%0.471SS..Hα-helixtrans-61.2-43.2175.2-70.9166.2000110.5L125 G126 V132 A133L125-I129 HydrophobicContact CD1-CD1 4.07Å; L125-I129 HydrophobicContact CD1-CG1 4.3Å; L125-I129 HydrophobicContact CG-CD1 3.88Å; L125-I129 VanDerWaalsContact O-CG1 3.29Å; L125-I129 WeakPolarHBondContact O-CG1 3.41Å; L125-I129 PolarHBondContact O-N 3.48Å; G126-I129 PolarHBondContact O-N 3.36Å; I129-V132 PolarHBondContact O-N 3.3Å; I129-A133 WeakPolarHBondContact O-CB 3.36Å; I129-A133 PolarHBondContact O-N 2.98Å
130L89.1Confident84.3Confident100 Ų10095.7 Ų95.752%0.52447%0.47SS..Hα-helixtrans-61.9-47.2175.9-173.362.2000111.5G126 H128 V132 A133 D134G126-L130 PolarHBondContact O-N 3.47Å; H128-L130 VanDerWaalsContact C-N 3.34Å; H128-L130 PolarHBondContact O-N 2.95Å; L130-V132 VanDerWaalsContact C-N 3.25Å; L130-V132 PolarHBondContact O-N 2.94Å; L130-A133 WeakPolarHBondContact O-CB 3.44Å; L130-A133 PolarHBondContact O-N 3.19Å; L130-A133 VanDerWaalsContact O-N 3.09Å; L130-D134 PolarHBondContact O-N 3.15Å
131N87.5Confident84.1Confident98 Ų9893.3 Ų93.352%0.52447%0.474SS..Hα-helixtrans-61.3-31.3174.5-85.4-94.6000113.2N127 H128 R135N127-N131 WeakPolarHBondContact O-CB 3.22Å; N127-N131 PolarHBondContact O-N 2.98Å; N127-N131 PolarHBondContact O-ND2 3.26Å; H128-N131 PolarHBondContact O-N 3.23Å; N131-R135 VanDerWaalsContact O-CB 3.3Å; N131-R135 WeakPolarHBondContact O-CB 3.28Å; N131-R135 WeakPolarHBondContact O-CG 3.4Å; N131-R135 PolarHBondContact O-N 3.11Å; N131-R135 VanDerWaalsContact O-N 3.15Å
132V89.7Confident83.2Confident49 Ų4993.1 Ų93.130%0.29749%0.485SS..Hα-helixtrans-73-41173.21690000110.8H128 I129 L130 R135 M136H128-V132 WeakPolarHBondContact O-CG2 3.46Å; H128-V132 PolarHBondContact O-N 3Å; I129-V132 PolarHBondContact O-N 3.3Å; L130-V132 VanDerWaalsContact C-N 3.25Å; L130-V132 PolarHBondContact O-N 2.94Å; V132-R135 PolarHBondContact O-N 3.4Å; V132-M136 HydrophobicContact CG1-CG 4.47Å; V132-M136 HydrophobicContact CG1-SD 4.11Å; V132-M136 WeakPolarHBondContact O-CB 3.01Å; V132-M136 VanDerWaalsContact O-CG 3.32Å; V132-M136 WeakPolarHBondContact O-CG 3.25Å; V132-M136 PolarHBondContact O-N 2.9Å
133A89.3Confident81.7Confident47 Ų4793.2 Ų93.239%0.38849%0.486SS..Hα-helixtrans-62.4-49175.500000111.6I129 L130 R135 M136 Q137I129-A133 WeakPolarHBondContact O-CB 3.36Å; I129-A133 PolarHBondContact O-N 2.98Å; L130-A133 WeakPolarHBondContact O-CB 3.44Å; L130-A133 PolarHBondContact O-N 3.19Å; L130-A133 VanDerWaalsContact O-N 3.09Å; A133-R135 VanDerWaalsContact C-N 3.31Å; A133-R135 PolarHBondContact O-N 3.44Å; A133-M136 PolarHBondContact O-N 3.13Å; A133-M136 VanDerWaalsContact O-N 3.12Å; A133-Q137 WeakPolarHBondContact O-CB 3.46Å; A133-Q137 PolarHBondContact O-N 3Å
134D87.2Confident80.4Confident85 Ų8599.1 Ų99.146%0.45552%0.518SS..Hα-helixtrans-59.2-42175.9-68.4-24.3000111.6L130 Q137 K138L130-D134 PolarHBondContact O-N 3.15Å; D134-Q137 PolarHBondContact O-N 2.96Å; D134-K138 VanDerWaalsContact O-CB 3.22Å; D134-K138 WeakPolarHBondContact O-CB 3.33Å; D134-K138 PolarHBondContact O-N 2.91Å
135R86.5Confident78.7Confident175 Ų17598.7 Ų98.766%0.6654%0.536SS*.Hα-helixtrans-64.8-41.4174.7-79.8177.963.1-140.9-6.2112.3N131 V132 A133 T139N131-R135 VanDerWaalsContact O-CB 3.3Å; N131-R135 WeakPolarHBondContact O-CB 3.28Å; N131-R135 WeakPolarHBondContact O-CG 3.4Å; N131-R135 PolarHBondContact O-N 3.11Å; N131-R135 VanDerWaalsContact O-N 3.15Å; V132-R135 PolarHBondContact O-N 3.4Å; A133-R135 VanDerWaalsContact C-N 3.31Å; A133-R135 PolarHBondContact O-N 3.44Å; R135-T139 WeakPolarHBondContact O-CB 3.05Å; R135-T139 PolarHBondContact O-N 3.31Å; R135-T139 PolarHBondContact O-OG1 3.14Å
136M85.9Confident77.1Confident94 Ų94101.5 Ų101.546%0.46355%0.549SS..Hα-helixtrans-64.3-49.4175.7-76.2-179.966.800110.3V132 A133 K138 T139 F140V132-M136 HydrophobicContact CG1-CG 4.47Å; V132-M136 HydrophobicContact CG1-SD 4.11Å; V132-M136 WeakPolarHBondContact O-CB 3.01Å; V132-M136 VanDerWaalsContact O-CG 3.32Å; V132-M136 WeakPolarHBondContact O-CG 3.25Å; V132-M136 PolarHBondContact O-N 2.9Å; A133-M136 PolarHBondContact O-N 3.13Å; A133-M136 VanDerWaalsContact O-N 3.12Å; M136-K138 PolarHBondContact O-N 3.42Å; M136-T139 CarbonylContact O-C 3.46Å; M136-T139 WeakPolarHBondContact O-CA 3.21Å; M136-T139 WeakPolarHBondContact O-CB 3.31Å; M136-T139 PolarHBondContact O-N 2.94Å; M136-F140 HydrophobicContact CB-CD2 4.43Å; M136-F140 HydrophobicContact CB-CE2 4Å; M136-F140 HydrophobicContact CE-CE2 4.08Å; M136-F140 HydrophobicContact CE-CZ 4.12Å; M136-F140 WeakPolarHBondContact O-CD2 3.34Å; M136-F140 WeakPolarHBondContact O-CG 3.26Å; M136-F140 PolarHBondContact O-N 3.3Å
137Q82.8Confident74.8Confident128 Ų128107.4 Ų107.460%0.59857%0.571SS**Hα-helixtrans-59-44.9177.6-169.7169.53.300112A133 D134 T139 F140 S141A133-Q137 WeakPolarHBondContact O-CB 3.46Å; A133-Q137 PolarHBondContact O-N 3Å; D134-Q137 PolarHBondContact O-N 2.96Å; Q137-T139 VanDerWaalsContact C-N 3.27Å; Q137-T139 PolarHBondContact O-N 2.91Å; Q137-F140 PolarHBondContact O-N 3.1Å; Q137-S141 PolarHBondContact O-N 3.33Å; Q137-S141 PolarHBondContact O-OG 2.86Å
138K82.8Confident73.3Confident166 Ų166109 Ų10972%0.72258%0.579SS**Hα-helixtrans-62.9-32173.6-172.6169.1-176.3171.10113D134 M136 A142D134-K138 VanDerWaalsContact O-CB 3.22Å; D134-K138 WeakPolarHBondContact O-CB 3.33Å; D134-K138 PolarHBondContact O-N 2.91Å; M136-K138 PolarHBondContact O-N 3.42Å; K138-A142 WeakPolarHBondContact O-CB 3.39Å; K138-A142 PolarHBondContact O-N 2.88Å; K138-A142 VanDerWaalsContact O-N 3.15Å
139T73.5Confident71.1Confident74 Ų74106.7 Ų106.745%0.45458%0.581SS.*Hα-helixtrans-72.3-39.9174.6-53.70000111.3R135 M136 Q137 A142 N143R135-T139 WeakPolarHBondContact O-CB 3.05Å; R135-T139 PolarHBondContact O-N 3.31Å; R135-T139 PolarHBondContact O-OG1 3.14Å; M136-T139 CarbonylContact O-C 3.46Å; M136-T139 WeakPolarHBondContact O-CA 3.21Å; M136-T139 WeakPolarHBondContact O-CB 3.31Å; M136-T139 PolarHBondContact O-N 2.94Å; Q137-T139 VanDerWaalsContact C-N 3.27Å; Q137-T139 PolarHBondContact O-N 2.91Å; T139-A142 PolarHBondContact O-N 3.43Å; T139-N143 VanDerWaalsContact O-CB 3.31Å; T139-N143 WeakPolarHBondContact O-CB 3.41Å; T139-N143 PolarHBondContact O-N 3.23Å
140F70.9Confident69.1Low103 Ų103109 Ų10945%0.45259%0.593SS.*Hα-helixtrans-66.2-43.1174.1-64.4-54.5000112.1M136 Q137 A142 N143M136-F140 HydrophobicContact CB-CD2 4.43Å; M136-F140 HydrophobicContact CB-CE2 4Å; M136-F140 HydrophobicContact CE-CE2 4.08Å; M136-F140 HydrophobicContact CE-CZ 4.12Å; M136-F140 WeakPolarHBondContact O-CD2 3.34Å; M136-F140 WeakPolarHBondContact O-CG 3.26Å; M136-F140 PolarHBondContact O-N 3.3Å; Q137-F140 PolarHBondContact O-N 3.1Å; F140-A142 VanDerWaalsContact C-N 3.27Å; F140-A142 PolarHBondContact O-N 3.23Å; F140-N143 CarbonylContact O-C 3.35Å; F140-N143 PolarHBondContact O-N 2.8Å
141S68.4Low66.9Low87 Ų87109.7 Ų109.761%0.60860%0.602SS**Hα-helixtrans-66.7-24.1175.9-62.80000114.1Q137Q137-S141 PolarHBondContact O-N 3.33Å; Q137-S141 PolarHBondContact O-OG 2.86Å
142A61.8Low64.9Low73 Ų73111.5 Ų111.560%0.60361%0.612SS**Hα-helixtrans-82.2-36.9172.300000112.1K138 T139 F140 N144K138-A142 WeakPolarHBondContact O-CB 3.39Å; K138-A142 PolarHBondContact O-N 2.88Å; K138-A142 VanDerWaalsContact O-N 3.15Å; T139-A142 PolarHBondContact O-N 3.43Å; F140-A142 VanDerWaalsContact C-N 3.27Å; F140-A142 PolarHBondContact O-N 3.23Å; A142-N144 PolarHBondContact O-N 3.08Å
143N55.4Low62.5Low104 Ų104115.4 Ų115.456%0.55664%0.64SS**SBendtrans-100.667.3-176.6-62.9-13.6000111T139 F140 S145T139-N143 VanDerWaalsContact O-CB 3.31Å; T139-N143 WeakPolarHBondContact O-CB 3.41Å; T139-N143 PolarHBondContact O-N 3.23Å; F140-N143 CarbonylContact O-C 3.35Å; F140-N143 PolarHBondContact O-N 2.8Å; N143-S145 PolarHBondContact O-N 3.07Å
144N50.5Low60.1Low145 Ų145120.1 Ų120.178%0.77566%0.659SS**  trans-50.2129166.7-77.7-36.4000109.7A142A142-N144 PolarHBondContact O-N 3.08Å
145S47.5Very low57.7Low125 Ų125126.8 Ų126.887%0.87468%0.677SS**  trans74.969.4-173.4-173.90000116.9N143N143-S145 PolarHBondContact O-N 3.07Å
146M53.8Low55.4Low151 Ų151126 Ų12674%0.74469%0.685SS**  trans-141.2113.1132.3-156.8163.8-148.600112.2I148M146-I148 HydrophobicContact CG-CD1 4.49Å; M146-I148 HydrophobicContact CG-CG1 4.16Å; M146-I148 PolarHBondContact O-N 3.39Å; M146-I148 VanDerWaalsContact O-N 3.14Å
147D42.3Very low53.2Low159 Ų159128.8 Ų128.885%0.8570%0.697SS**  trans-80.491.7-178.1-158.1-16.8000110.2
148I54.9Low51.5Low103 Ų103129.3 Ų129.353%0.52870%0.703SS.*  trans-106.191.1175.1-54.6-177.6000108.1M146 L150M146-I148 HydrophobicContact CG-CD1 4.49Å; M146-I148 HydrophobicContact CG-CG1 4.16Å; M146-I148 PolarHBondContact O-N 3.39Å; M146-I148 VanDerWaalsContact O-N 3.14Å; I148-L150 HydrophobicContact CG2-CD1 4.16Å; I148-L150 WeakPolarHBondContact O-CD1 3.38Å; I148-L150 PolarHBondContact O-N 3.37Å
149A42.2Very low49.5Very low74 Ų74127 Ų12761%0.61270%0.703SS**  trans-62.198.7175.600000111.3T151A149-T151 PolarHBondContact O-N 3.14Å; A149-T151 PolarHBondContact O-OG1 2.7Å
150L49.5Very low48Very low148 Ų148129.3 Ų129.378%0.77571%0.712SS**  trans-66.876.9170.9-96.973.9000110.3I148 N152I148-L150 HydrophobicContact CG2-CD1 4.16Å; I148-L150 WeakPolarHBondContact O-CD1 3.38Å; I148-L150 PolarHBondContact O-N 3.37Å; L150-N152 PolarHBondContact O-N 2.64Å
151T43.3Very low46.7Very low116 Ų116132 Ų13271%0.71272%0.724SS**  trans-75.293.2-179.7-56.60000109.6A149 C153A149-T151 PolarHBondContact O-N 3.14Å; A149-T151 PolarHBondContact O-OG1 2.7Å; T151-C153 PolarHBondContact O-N 3.07Å
152N44.7Very low45.4Very low135 Ų135137.5 Ų137.572%0.72273%0.731SS**  trans16.985.8162.4-99.9-56000116.2L150 N154L150-N152 PolarHBondContact O-N 2.64Å; N152-N154 PolarHBondContact O-N 3.24Å
153C38.9Very low44.2Very low132 Ų132140.9 Ų140.989%0.89274%0.739SS**SBendtrans-72.949.7169.2-65.20000112.4T151T151-C153 PolarHBondContact O-N 3.07Å
154N40.4Very low43.7Very low146 Ų146141.9 Ų141.978%0.78175%0.754SS**  trans-139.934.5-173-99.7-28.9000112.4N152N152-N154 PolarHBondContact O-N 3.24Å
155R36.3Very low43.2Very low224 Ų224142.7 Ų142.785%0.84576%0.757SS**  trans-150.5102.8170.3-164.9159.1175.5-179-3.5113
156L37.6Very low42.9Very low158 Ų158143 Ų14383%0.82776%0.757SS**  trans-67.7165.2151.4-98.872.9000109.5
157E39.6Very low42.1Very low153 Ų153141.6 Ų141.672%0.71575%0.753SS**  trans82.7102.7169.2-52.3-154.815400119.3
158I47.7Very low42.2Very low139 Ų139139.7 Ų139.771%0.71375%0.749SS**  77.994.1121.1-63.1166.1000118.4
159V41.3Very low41.8Very low118 Ų118142.4 Ų142.472%0.71576%0.76SS**  74.3129.5124.7174.70000121.4
160N41.9Very low42.1Very low123 Ų123143.9 Ų143.966%0.65877%0.766SS**  trans80.1112.1155.1-82.6-36.5000122.1
161K43.7Very low42.2Very low160 Ų160145.1 Ų145.170%0.69677%0.773SS**  72.7107.7128.1-66.2172.6-177.1173.60121.2
162R39.6Very low43Very low202 Ų202149.9 Ų149.976%0.76278%0.784SS**  78.5116.6125.5-69.6-167.6178133.31.9120.9
163D37.5Very low43.8Very low143 Ų143151.8 Ų151.877%0.76579%0.789SS**  61.393.4121.8-40.5-25000119.1
164S44.2Very low45.4Very low126 Ų126153.9 Ų153.988%0.88178%0.783SS**  trans-157.8158135.7-161.30000111.6
165I40.3Very low47.2Very low161 Ų161151.5 Ų151.583%0.82677%0.77SS**  trans-114.5141-172.9-63.4164.9000109.7
166C41Very low48.7Very low131 Ų131146 Ų14689%0.88576%0.763SS**  trans-153.7158.4159.5-114.80000112.7
167N36.8Very low50.5Low123 Ų123145.3 Ų145.366%0.65876%0.76SS**  trans-86.6142.3-163.4-167.153.7000114.1E169N167-E169 PolarHBondContact ND2-OE2 3.28Å
168P44.1Very low51.8Low118 Ų118141.8 Ų141.877%0.76675%0.752SS**  trans-99.298.7174.535.5-28.7000112.4
169E47.3Very low52.1Low160 Ų160142.8 Ų142.875%0.74876%0.759SS**  trans-147.5163173.7-108.4176.3127.500112.5N167N167-E169 PolarHBondContact ND2-OE2 3.28Å
170S48.8Very low52.8Low106 Ų106142.7 Ų142.774%0.74176%0.758SS**  trans65.4104.1-17670.10000116.8
171N51.4Low53.1Low173 Ų173148 Ų14893%0.92577%0.769SS**  trans-150.981.7144.4-90.8-40.4000106.1
172K60.9Low53.1Low216 Ų216146.5 Ų146.594%0.93978%0.779SS**  trans-105.280-180-79-170.5176.4-177.20109.8
173E61.4Low53.3Low176 Ų176143.5 Ų143.582%0.82278%0.783SS**  trans-152.1128.4176.3-160.2161.5-157.500104.9
174F71.5Confident53.6Low175 Ų175143.2 Ų143.277%0.76878%0.782SS**  cis-147.512127.7-177.1-91.9000110.1
175D77.8Confident53.5Low96 Ų96142.8 Ų142.851%0.51377%0.773SS.*  trans-124.2113.5170.5173.43.2000109.2L177 S178D175-L177 PolarHBondContact O-N 2.99Å; D175-L177 PolarHBondContact OD1-N 3.47Å; D175-S178 PolarHBondContact O-N 3.11Å; D175-S178 PolarHBondContact O-OG 2.87Å
176P68.6Low53.5Low109 Ų109140.7 Ų140.771%0.70877%0.768SS**THydrogen-bonded Turntrans-70.9-7-176.329.9-35.8000114.7
177L74.8Confident53.5Low143 Ų143141.8 Ų141.875%0.74976%0.764SS**THydrogen-bonded Turntrans-110.6-5.3-179.1-61.8179.7000114D175 N179D175-L177 PolarHBondContact O-N 2.99Å; D175-L177 PolarHBondContact OD1-N 3.47Å; L177-N179 PolarHBondContact O-N 2.87Å
178S66.6Low53.7Low80 Ų80141.4 Ų141.456%0.55977%0.77SS**THydrogen-bonded Turntrans-67.4-10.3-167.564.30000116.2D175D175-S178 PolarHBondContact O-N 3.11Å; D175-S178 PolarHBondContact O-OG 2.87Å
179N54.6Low53.4Low159 Ų159140.7 Ų140.785%0.8577%0.768SS**THydrogen-bonded Turntrans-98.621-169.2-118.555.4000115.1L177L177-N179 PolarHBondContact O-N 2.87Å
180V55.9Low53.6Low117 Ų117138.4 Ų138.471%0.70977%0.767SS**SBendtrans-118.3108.6-176.2-177.20000111.8
181R47.4Very low53.4Low235 Ų235140.4 Ų140.489%0.88777%0.77SS**  trans81.6101.1178.3-57.1163.5172.8169.2-2.9116.9
182S45.2Very low53.8Low127 Ų127137.3 Ų137.389%0.88876%0.759SS**  trans-167.174.7141.1-83.10000112.4
183T43.7Very low53.4Low140 Ų140132.3 Ų132.386%0.85975%0.749SS**  trans-132.7148.2153.147.20000105.1
184D43.4Very low52.5Low137 Ų137130.3 Ų130.373%0.73374%0.742SS**  cis-162.517134.2-165.9-0.9000110.5
185V43Very low51.1Low117 Ų117131.5 Ų131.571%0.70974%0.743SS**  trans56.5153.9166.1-92.50000118.9
186T38.9Very low49.3Very low116 Ų116133.4 Ų133.471%0.71275%0.753SS**  cis-157.1161.418-18.60000112.4
187I41.7Very low48Very low155 Ų155132.6 Ų132.680%0.79575%0.749SS**  trans56.9127.9164.16.6-179000117.2
188S39.8Very low46.4Very low114 Ų114130.7 Ų130.780%0.79775%0.748SS**  cis-152.3160.934.7-55.60000115.2
189S39.3Very low45.3Very low103 Ų103132.3 Ų132.372%0.7275%0.754SS**  trans-91.1175.5179.2-116.50000112.7
190P50.7Low44.6Very low113 Ų113132 Ų13273%0.73475%0.753SS**  cis-148.5143.234.839.2-16.6000121.6
191N45.3Very low43.9Very low148 Ų148131.1 Ų131.179%0.79175%0.752SS**  trans67.8149.3135.6-65-11.6000125.9
192P59.9Low43.9Very low108 Ų108124.1 Ų124.170%0.70174%0.739SS**  trans-129.2-162.4-176.946.1-28.9000114.6
193P52.4Low44Very low111 Ų111125.1 Ų125.172%0.72173%0.734SS**  trans-135.8130.8136.934.9-21.4000114
194I41.7Very low44Very low133 Ų133125.2 Ų125.268%0.68273%0.729SS**  83.4137.879.9-60.5157.8000115.7L196I194-L196 HydrophobicContact CG2-CD1 4.43Å
195Y41.9Very low44Very low201 Ų201125.4 Ų125.479%0.78873%0.729SS**  trans128.894.5157.4-80-80.8000113.4
196L41.1Very low44Very low136 Ų136124 Ų12471%0.71272%0.724SS**  76.314391.1-91.475.5000114.2I194I194-L196 HydrophobicContact CG2-CD1 4.43Å
197S41.4Very low44.2Very low91 Ų91128 Ų12864%0.63673%0.732SS**  cis-179168.9-9.646.30000112.2
198S40Very low44.3Very low104 Ų104125 Ų12573%0.72773%0.725SS**  trans81148.3152.7-55.50000118.7
199V44Very low44.6Very low114 Ų114128.8 Ų128.869%0.69173%0.73SS**  cis-163.8152.6-7.9-101.80000111.3
200N40.6Very low45Very low153 Ų153129.4 Ų129.482%0.81873%0.734SS**  trans49.8154.7140-59.77.3000122.5
201S41.1Very low44.3Very low98 Ų98129.5 Ų129.569%0.68574%0.736SS**  cis-171.7155.7-20-172.80000109.9
202S47.2Very low44.5Very low87 Ų87132 Ų13261%0.60874%0.743SS**  trans69.9124.4155.5-64.20000120.8
203D47.8Very low43.5Very low149 Ų149133.4 Ų133.480%0.79775%0.745SS**  91137.564.5-57.4-37.7000111.4
204D43.2Very low43.1Very low141 Ų141139.1 Ų139.175%0.75475%0.753SS**  cis-166.4-170.3-10.1175.536.8000108.4
205I43.8Very low43Very low141 Ų141141.2 Ų141.272%0.72376%0.762SS**  trans82.1139.6161-58176.2000116.5
206S42.7Very low43.1Very low88 Ų88137.3 Ų137.362%0.61576%0.759SS**  cis-174.4149.6-21.6-95.50000111.3
207K42Very low43.1Very low201 Ų201135.8 Ų135.887%0.87476%0.76SS**  trans64.5161.9157.7-68.3177.4-179.9-178.40117.3
208S44.2Very low42.9Very low92 Ų92141.5 Ų141.564%0.64377%0.773SS**  cis-151.1148.27.1470000112.2
209E45.9Very low42.8Very low193 Ų193141.6 Ų141.690%0.90277%0.774SS**  trans50.7149.8139.7-61.8168160.600120.6
210S47.4Very low42.5Very low116 Ų116142.3 Ų142.381%0.81178%0.779SS**  cis-142.3170.510.858.70000112.2
211C37.7Very low42.5Very low114 Ų114144 Ų14477%0.7778%0.779SS**  trans-104.9157.3-176-49.20000113
212E48Very low42.2Very low200 Ų200144.2 Ų144.294%0.93578%0.781SS**  trans-151.6154.8131-127.8172.4-147.400111.3
213N39.6Very low41.9Very low139 Ų139146.3 Ų146.374%0.74379%0.79SS**  trans-119.3141.6-166.4-79.3-63.8000112.5
214Y43.9Very low41.5Very low230 Ų230143.9 Ų143.990%0.90279%0.79SS**  trans-149.5103145.7-117.5-81.8000111
215M39.4Very low41.1Very low177 Ų177141 Ų14187%0.87280%0.795SS**  trans-131.6131.8164.6-78.7-158.377.500109.2
216V44.8Very low40.9Very low120 Ų120140 Ų14073%0.72780%0.8SS**  trans-134.7111.7169177.20000109.4
217S39.9Very low40.9Very low103 Ų103142.4 Ų142.472%0.7281%0.805SS**  trans51.489.7151.7-53.30000119.8
218K38.6Very low41.1Very low211 Ų211140.8 Ų140.892%0.91781%0.806SS**  -101.6113.1126.1-85.5-170.2175.4-177.90108.1
219S37.9Very low41.1Very low106 Ų106143.2 Ų143.274%0.74181%0.812SS**  trans-104.596.2-178.854.90000111.2
220T36.7Very low40.9Very low129 Ų129143.6 Ų143.679%0.79181%0.813SS**  trans-84126.3164.1-49.80000108.5
221F40.7Very low40.5Very low188 Ų188141.1 Ų141.183%0.82581%0.806SS**  trans-132.9119.1168.5-118.1-82.4000110.4
222S34.5Very low40.7Very low104 Ų104143 Ų14373%0.72781%0.808SS**  trans-105.3134.9163.9-530000107.8
223T41.6Very low40.2Very low131 Ų131140.6 Ų140.680%0.80480%0.802SS**  trans-149.5149.2158.4-74.10000108
224A38.2Very low39.9Very low97 Ų97139.4 Ų139.480%0.80280%0.804SS**  trans-85.2168.4-170.700000113.7
225G35.2Very low39.7Very low82 Ų82133.8 Ų133.885%0.84580%0.799SS**  trans-75.8-178.4-167.800000117.7
226S40.4Very low39.8Very low118 Ų118134.6 Ų134.683%0.82580%0.797SS**  trans-121.3147.8153.7-166.40000108.8
227L41.5Very low39.5Very low140 Ų140137.8 Ų137.873%0.73380%0.801SS**  trans-85.7155.9164.2-72.5159.3000108.9
228D48.1Very low39.6Very low166 Ų166137.9 Ų137.989%0.88880%0.802SS**  trans-144.5135.8142.9-87.2-49.9000107.9
229N42.2Very low39.9Very low143 Ų143131.3 Ų131.377%0.76579%0.787SS**  trans-123.5133-179.4-88.3-57.1000108.8
230E43Very low40.2Very low201 Ų201132.8 Ų132.894%0.93979%0.786SS**  trans-164.8147.3139.1-76.7-138.4117.300108.1
231G38.6Very low40.9Very low64 Ų64134 Ų13466%0.6678%0.783SS**  cis-173.6124.2-6.900000113.8
232L42.6Very low41.2Very low155 Ų155131.6 Ų131.681%0.81278%0.778SS**  trans65.2135.4144.9-60.9176.1000123.8
233N36.7Very low41.9Very low149 Ų149131.5 Ų131.580%0.79778%0.775SS**  trans77.4101.2141.2-66.9-10.7000121.9
234S32.5Very low42.3Very low113 Ų113132.2 Ų132.279%0.7977%0.773SS**  trans-83.8140145.853.80000111.5
235S40.2Very low42.5Very low113 Ų113133.6 Ų133.679%0.7977%0.767SS**  trans-171.2125.1154.4-94.50000115.8
236K41.2Very low42.9Very low194 Ų194136.9 Ų136.984%0.84376%0.764SS**  trans52.1118.5136.8-76.3174.8176.6168.20121.7
237K39.7Very low42.9Very low187 Ų187140 Ų14081%0.81377%0.765SS**  96.7125.8113.3-177.8-174.7175.4-168.40119.1
238S41.6Very low42.7Very low104 Ų104137.6 Ų137.673%0.72777%0.766SS**  trans69.2147.5160.1-70.50000117.2
239A45.4Very low42.3Very low73 Ų73134.6 Ų134.660%0.60376%0.756SS**  cis-165.4171.6-17.900000111.2
240D44.6Very low42Very low137 Ų137133.4 Ų133.473%0.73375%0.754SS**  trans77.7139.2150.1-65.9-46.5000123.2
241H51Low41.6Very low155 Ų155128.8 Ų128.872%0.71874%0.74SS**  trans57136.7159.3-58.1-54.8000120.9
242D46.5Very low41.5Very low137 Ų137134.2 Ų134.273%0.73375%0.745SS**  cis-157168.8-10.7-107.6-11.8000110.9
243P49.9Very low41.2Very low102 Ų102131.2 Ų131.266%0.66274%0.737SS**  trans-123.6-152.8-159.839-21.3000115.3
244I49.6Very low41.4Very low146 Ų146131.8 Ų131.875%0.74974%0.735SS**  trans87.3133.3172.8-53163.2000113.2
245D42.3Very low41.7Very low126 Ų126131.6 Ų131.667%0.67473%0.734SS**  cis-139.7140.63.8-122.6-14.2000106.9
246L44.2Very low41.5Very low151 Ų151134.3 Ų134.379%0.79174%0.739SS**  45.4137.774.4-56.7166.9000113.5
247Q40Very low41.4Very low183 Ų183129.7 Ų129.786%0.85574%0.737SS**  cis-144.4164.826.7-64.9172.7-11.100113.6
248A37Very low41.1Very low90 Ų90130.1 Ų130.174%0.74474%0.742SS**  trans-147.4-169.3153.400000106.2
249P40.4Very low41.1Very low104 Ų104129.9 Ų129.968%0.67575%0.747SS**  cis-131.6-152.2-15.525.41.1000110.9
250T35.2Very low40.9Very low118 Ų118133.1 Ų133.172%0.72476%0.759SS**  trans69.8153.6154.160.60000118.7
251T34.8Very low41Very low104 Ų104131.7 Ų131.764%0.63876%0.757SS**  cis-165.7176.6-11.2220000110.9
252F37Very low40.4Very low177 Ų177129.5 Ų129.578%0.77676%0.759SS**  trans87.3109.3156.2-67.5-69.4000121.5
253S34.6Very low40.1Very low93 Ų93127.6 Ų127.665%0.6576%0.762SS**  trans-13.9153.6138-44.80000119.6
254H41.8Very low39.7Very low160 Ų160128.8 Ų128.874%0.74177%0.767SS**  171.3139.4101.7-90.5-71.1000114
255S39.7Very low39.2Very low110 Ų110128.3 Ų128.377%0.76977%0.766SS**  trans49.5128.9158.645.50000120.4
256N34.8Very low38.9Very low170 Ų170128.9 Ų128.991%0.90977%0.768SS**  cis85.99038.8-146.653.1000115.5
257A38.8Very low38.8Very low97 Ų97126.7 Ų126.780%0.80277%0.766SS**  trans-174.2115.5154.800000107.1
258E34.3Very low38.7Very low196 Ų196122.9 Ų122.992%0.91676%0.76SS**  76.686.769.4-165.1-179.9146.400114.5
259A41.8Very low38.9Very low99 Ų99123.6 Ų123.682%0.81876%0.759SS**  trans-168.6142149.100000111.8
260V40.8Very low38.9Very low141 Ų141124 Ų12486%0.85576%0.76SS**  trans-128.3171.9171.6-1180000107.2
261P46.6Very low39.3Very low107 Ų107126.1 Ų126.170%0.69577%0.766SS**  cis-138.2-169.1-4.734.6-12.2000115.3
262S38.7Very low39.5Very low109 Ų109125.6 Ų125.676%0.76277%0.766SS**  trans87.4137.9143.7-63.60000122.2
263A40.5Very low39.6Very low97 Ų97122.9 Ų122.980%0.80276%0.764SS**  trans73.7148.2143.500000120.8
264V40.6Very low39.8Very low127 Ų127124 Ų12477%0.7777%0.768SS**  cis-167.2156.5-30.5940000110.9
265L40.3Very low39.9Very low136 Ų136123.9 Ų123.971%0.71277%0.771SS**  trans64130.3162.2-77166.9000122.6
266N35.4Very low39.8Very low137 Ų137125.9 Ų125.973%0.73377%0.772SS**  trans59.8147.9138.7-69.54.8000121
267S41.2Very low40.3Very low105 Ų105122.9 Ų122.973%0.73476%0.762SS**  cis-152.814938.7-50.80000116.1
268S39.1Very low40.3Very low104 Ų104123.1 Ų123.173%0.72776%0.757SS**  trans33.2128138.4-45.10000119.7
269S40.7Very low40.5Very low104 Ų104123.3 Ų123.373%0.72776%0.758SS**  173163.482.2-66.70000110.6
270T41.1Very low40.3Very low114 Ų114122.2 Ų122.270%0.69976%0.757SS**  cis-172.7145.6-15.930.30000110
271L42.2Very low40.6Very low162 Ų162124.1 Ų124.185%0.84876%0.757SS**  trans66.4146.2151.5-63166.9000118.5
272S40.1Very low40.3Very low92 Ų92125 Ų12564%0.64376%0.763SS**  cis-154.3138.55.7-103.30000113.4
273T38.6Very low40.6Very low120 Ų120128.1 Ų128.174%0.73677%0.769SS**  trans39146.1133.24.60000122.4
274T39.4Very low40.8Very low118 Ų118129.6 Ų129.672%0.72477%0.769SS**  cis-165.8159.823.8-26.90000114.1
275I42.6Very low41.3Very low157 Ų157129.3 Ų129.381%0.80577%0.769SS**  trans85.2146.1157.8-54.2-168.7000119.9
276L37.4Very low41Very low152 Ų152129 Ų12980%0.79677%0.769SS**  trans-129.5-178.9-168-104.775000109.9
277P46.7Very low41.3Very low106 Ų106127.9 Ų127.969%0.68877%0.767SS**  cis-140.5-172.4-30.336.8-17.4000114.7
278S38.7Very low41Very low102 Ų102130.9 Ų130.971%0.71377%0.769SS**  trans109.1116141.7-70.20000122
279Q39Very low41.1Very low200 Ų200132.5 Ų132.594%0.93577%0.768SS**  trans65.1124.7148.8-58.7-168.917.500120.9
280G37Very low41.2Very low77 Ų77135 Ų13579%0.79477%0.772SS**  trans169.584.9168.100000114.9
281Q46.2Very low40.9Very low181 Ų181135 Ų13585%0.84678%0.776SS**  trans11.1134.1163.1-60173-84.900121.5
282P41.2Very low40.6Very low126 Ų126131.2 Ų131.282%0.81876%0.764SS**  trans-74.8142.8150.833.5-31.9000110.9
283L44.2Very low40.6Very low173 Ų173135.7 Ų135.791%0.90677%0.772SS**  trans-82.7143.3178-70165.1000111.7
284T45.9Very low40.7Very low128 Ų128141.3 Ų141.379%0.78578%0.781SS**  trans-109.3135.5169.147.80000110.9N286T284-N286 PolarHBondContact O-N 2.92Å
285P51.1Low40.7Very low121 Ų121144.8 Ų144.879%0.78679%0.789SS**  trans-72.4119.6171.828.9-32.1000109.9T287P285-T287 PolarHBondContact O-N 3.3Å
286N33.9Very low40.9Very low130 Ų130145.5 Ų145.570%0.69579%0.789SS**  trans-83.7102.3-179.2172.234.2000111.1T284T284-N286 PolarHBondContact O-N 2.92Å
287T40.7Very low41.1Very low113 Ų113144.4 Ų144.469%0.69379%0.791SS**  trans-106.8105.5170.4-51.20000109.8P285 I289P285-T287 PolarHBondContact O-N 3.3Å; T287-I289 HydrophobicContact CG2-CG1 4.3Å; T287-I289 PolarHBondContact O-N 3.32Å; T287-I289 VanDerWaalsContact O-N 3.15Å
288Q36.2Very low40.9Very low169 Ų169144.6 Ų144.679%0.7980%0.795SS**  trans-73.4103177.1-69.1-173.9-12.200110.8
289I40Very low40.8Very low138 Ų138143.3 Ų143.371%0.70880%0.798SS**  trans-94.1111.8172.4-62.2-178.3000109.6T287 S291T287-I289 HydrophobicContact CG2-CG1 4.3Å; T287-I289 PolarHBondContact O-N 3.32Å; T287-I289 VanDerWaalsContact O-N 3.15Å; I289-S291 PolarHBondContact O-N 3.27Å; I289-S291 VanDerWaalsContact O-N 3.13Å; I289-S291 PolarHBondContact O-OG 3.15Å
290I42Very low40.9Very low156 Ų156141.7 Ų141.780%0.879%0.79SS**  trans-58.3114.4176.2-63.3170.3000109.1
291S34.7Very low40.9Very low114 Ų114146.8 Ų146.880%0.79779%0.793SS**  trans-111.2103.7179.4-64.20000110I289I289-S291 PolarHBondContact O-N 3.27Å; I289-S291 VanDerWaalsContact O-N 3.13Å; I289-S291 PolarHBondContact O-OG 3.15Å
292S37.2Very low40.4Very low83 Ų83144.5 Ų144.558%0.5879%0.787SS**  trans-143.4160171.958.90000110.6
293F39.3Very low40.4Very low186 Ų186146.4 Ų146.482%0.81678%0.784SS**  trans64.765.8177.7-58-77.7000118.1
294Y42.1Very low39.9Very low238 Ų238144 Ų14493%0.93377%0.772SS**  trans-139.496.5132.9-83.7-73.3000110.2
295Q39.4Very low39.8Very low190 Ų190139.9 Ų139.989%0.88875%0.747SS**  trans-112.6116.3165.7-169.3163.921.200108.4
296Q46.7Very low39.1Very low173 Ų173138.1 Ų138.181%0.80874%0.735SS**  trans-77.7134.2-177.9-65.6176.5-56.500110.8S298Q296-S298 PolarHBondContact O-N 3.47Å
297P41.4Very low39.3Very low128 Ų128138 Ų13883%0.83173%0.73SS**  trans-83.395.8167.332.1-30.8000109.9G299P297-G299 PolarHBondContact O-N 2.83Å
298S42.9Very low39.3Very low110 Ų110137.6 Ų137.677%0.76973%0.732SS**PPolyproline II helixtrans-67.4122.1166.9-64.40000109.7Q296Q296-S298 PolarHBondContact O-N 3.47Å
299G36.7Very low39.5Very low76 Ų76139.9 Ų139.978%0.78473%0.733SS**PPolyproline II helixtrans-66.8144.3-17300000114.1P297P297-G299 PolarHBondContact O-N 2.83Å
300H39.4Very low39.8Very low166 Ų166139 Ų13977%0.76973%0.734SS**PPolyproline II helixtrans-72.9142.5177.2-60.7-85.2000112.7
301Q38.8Very low39.9Very low184 Ų184138.3 Ų138.386%0.8673%0.727SS**  trans-110133.2141-77.1-171.4-21.100108.1
302N34.9Very low40.6Very low132 Ų132137.9 Ų137.971%0.70672%0.722SS**  trans-115.6124.1-177.9-88.3-37000110.3
303H40Very low41Very low166 Ų166139.7 Ų139.777%0.76973%0.734SS**  trans-144.3160165.7-70.3-50.7000112.1
304L33.7Very low41.1Very low123 Ų123138 Ų13864%0.64473%0.733SS**  trans-161.6173.8-167-127.966.6000107.8P449L304-P449 HydrophobicContact CD1-CG 4.07Å; L304-P449 HydrophobicContact CD2-CG 4.2Å; L304-P449 HydrophobicContact CG-CG 3.9Å
305P45.7Very low41.2Very low41 Ų41132.6 Ų132.627%0.26673%0.727SS.*  cis-142.1-137.82.243.3-21000114.4Y446 P447 P449P305-Y446 HydrophobicContact CG-CD1 4.19Å; P305-P447 WeakPolarHBondContact CB-O 3.17Å; P305-P447 WeakPolarHBondContact CG-O 3.48Å; P305-P449 HydrophobicContact CB-CB 4.48Å
306T35.5Very low41.2Very low85 Ų85131 Ų13152%0.52172%0.723SS.*  trans149110.5176.165.50000118.9P447 P448 P449 A450T306-P447 HydrophobicContact CG2-CG 4Å; T306-P447 WeakPolarHBondContact CG2-O 3.27Å; T306-P447 PolarHBondContact N-O 3.38Å; T306-P448 CarbonylContact C-O 3.47Å; T306-P448 PolarHBondContact N-O 2.95Å; T306-P448 VanDerWaalsContact N-O 3.14Å; T306-P449 CarbonylContact O-C 2.99Å; T306-P449 WeakPolarHBondContact O-CA 3.17Å; T306-A450 PolarHBondContact O-N 3.4Å
307Q38.2Very low41Very low126 Ų126128 Ų12859%0.58972%0.721SS**  trans-98.9163.6173.5-68-163.1-15.800113.3P448Q307-P448 WeakPolarHBondContact CG-O 3.22Å; Q307-P448 PolarHBondContact N-O 3.36Å
308S39.8Very low41.2Very low106 Ų106126.5 Ų126.574%0.74171%0.714SS**  179.5145.676.1-60.80000116.9
309R41.7Very low41.3Very low216 Ų216129.5 Ų129.582%0.81572%0.716SS**  trans68.5169.4162-125.9171.9-177.2143.71.7116.1
310V45.1Very low41.5Very low121 Ų121132.2 Ų132.273%0.73371%0.712SS**  cis-141.5152.79.8-166.30000107.8
311Q43.9Very low41.4Very low140 Ų140128.9 Ų128.965%0.65471%0.708SS**  cis87.1151.636.5-110.1173.8-14.300114.9
312P50.4Low41.7Very low106 Ų106125.3 Ų125.369%0.68871%0.709SS**  -134.8178.5-82.643.9-30.3000117.6
313S45.7Very low41.8Very low120 Ų120128 Ų12884%0.83972%0.718SS**  trans-165.9144.3153.9-81.70000112
314I41.6Very low42.1Very low152 Ų152124.4 Ų124.478%0.77971%0.709SS**  trans-147.6126.4-172.2-56.8179.1000113
315P43.3Very low42.3Very low124 Ų124127.8 Ų127.881%0.80572%0.719SS**  trans-104.5172.7161.235.5-25.8000113.2
316L39.3Very low42.4Very low156 Ų156131.2 Ų131.282%0.81774%0.739SS**  trans-160.6136.5-151.5-179.1150.5000115.3
317S44.2Very low42.7Very low110 Ų110134.1 Ų134.177%0.76975%0.751SS**  trans164.6157.6156.237.20000111.7
318S45.5Very low42.7Very low96 Ų96132.8 Ų132.867%0.67176%0.755SS**  cis-167146.5-24.8-88.20000110.5
319Q43.5Very low42.9Very low174 Ų174134.4 Ų134.481%0.81376%0.755SS**  trans32.9148.3141.1-76.3175.4-24.200122.6
320N40.7Very low43Very low133 Ų133130 Ų13071%0.71175%0.748SS**  cis-159.2165.2-0.8-138.7-0.1000114.5
321S38Very low43.3Very low96 Ų96130.1 Ų130.167%0.67175%0.749SS**  trans-14.4140.7160.458.70000122.9
322A44.2Very low43.4Very low108 Ų108129.5 Ų129.589%0.89376%0.757SS**  -166.6148.3126.700000114.2
323Q38.4Very low43.3Very low189 Ų189136.2 Ų136.288%0.88377%0.769SS**  trans-153.8-179.2173.3-131.9-165.3-7.500106.1
324P45.1Very low43.7Very low91 Ų91138.7 Ų138.759%0.59177%0.769SS**  cis-142.2-168.9-744.5-25.7000116.1
325K39.6Very low44.2Very low193 Ų193136.8 Ų136.884%0.83977%0.767SS**  trans67.3169161.4-63.1-179174.5-176.90116.2
326V46.2Very low44.4Very low113 Ų113138.7 Ų138.769%0.68577%0.77SS**  cis-151.2148.623.2-174.30000111.3
327D42.9Very low44.5Very low146 Ų146137 Ų13778%0.78177%0.767SS**  trans51.3172.5156.6-68.6-5.7000122.5
328C37.9Very low44.6Very low99 Ų99136.8 Ų136.867%0.66977%0.765SS**  -168.6167-52.9-106.10000110.3
329N43.6Very low44.7Very low140 Ų140138.4 Ų138.475%0.74977%0.771SS**  trans66.2158.6167.9-70.542.5000117
330D45.1Very low45Very low123 Ų123135.9 Ų135.966%0.65877%0.77SS**  cis-152.9169.2-1.7-136.1-47.6000114.1
331T51.5Low45.5Very low123 Ų123136.5 Ų136.576%0.75578%0.778SS**  trans62.5128.2162.532.10000122.4
332P44.7Very low45.7Very low128 Ų128139.7 Ų139.783%0.83179%0.787SS**  trans-98.8166.3160.938.7-32.9000113.2
333R47.9Very low45.7Very low247 Ų247143.3 Ų143.393%0.93279%0.785SS**  trans-144.9144168.3-173.2168169.7169.4-4.1112.6
334M55.3Low46Very low171 Ų171140.6 Ų140.684%0.84277%0.772SS**  trans-91.1164.2-168.8-73.1-153.48300114.8
335P51.7Low46Very low113 Ų113145.3 Ų145.373%0.73478%0.78SS**  trans-85.7179.6-171.836.8-38.1000113.7
336N47.9Very low46.3Very low163 Ų163141.2 Ų141.287%0.87278%0.776SS**  trans-137.9154.1174-129.37.9000111.4
337T41.2Very low46.4Very low122 Ų122142.2 Ų142.275%0.74878%0.782SS**  trans-122.9-173.6-172.5500000112.2
338S45.5Very low46.9Very low104 Ų104141.3 Ų141.373%0.72778%0.784SS**  trans86.5145.2173.5-380000115
339T47.9Very low47.3Very low131 Ų131141.5 Ų141.580%0.80479%0.787SS**  cis-163.7159.4-12.414.70000108.9
340P49.5Very low47.3Very low121 Ų121143 Ų14379%0.78679%0.787SS**  trans-96.9158.9178.837.7-33.9000114.4
341T51.1Low47.5Very low146 Ų146147.5 Ų147.590%0.89680%0.795SS**  trans-144.7139.7169.946.80000112.8
342L43.8Very low47.7Very low162 Ų162146.9 Ų146.985%0.84879%0.793SS**  trans-91.6148.9172.5-88.5162.1000111.8
343Q43.8Very low48.3Very low184 Ų184146.9 Ų146.986%0.8679%0.793SS**  trans170.2173.3135.2-94.916322.200111.9
344Q44.4Very low48.3Very low132 Ų132138.9 Ų138.962%0.61779%0.787SS**  -166.4153.5-73.6-140.7170.6-8.400110.5
345Y44.5Very low48.1Very low190 Ų190137.7 Ų137.775%0.74579%0.789SS**  trans76.7151.9159.4-63.5-62000123.8
346S45.8Very low48Very low107 Ų107136.6 Ų136.675%0.74879%0.789SS**  trans77.9139.7157.1-54.80000120
347T49.3Very low48.2Very low135 Ų135136.2 Ų136.283%0.82879%0.788SS**  cis-167.3155.2-39.711.10000108.9
348P51.9Low48.9Very low126 Ų126139.4 Ų139.482%0.81880%0.796SS**  trans-103.6163.3-169.239.3-35.4000116.2
349S46.4Very low49.7Very low104 Ų104139.4 Ų139.473%0.72779%0.794SS**  trans-161.3133.2165.5-158.70000116.1
350F45.1Very low50.3Low171 Ų171138.6 Ų138.675%0.7579%0.791SS**  trans32.4147.1138.9-70.2-118000121.9
351R49.5Very low50.6Low218 Ų218139.1 Ų139.182%0.82379%0.787SS**  cis-165.6171-10.4-116.8-165.1-175.6-163.9-1.1110.6
352P54.5Low50.6Low109 Ų109140.1 Ų140.171%0.70878%0.783SS**  trans-108.4-151.1-178.346.2-37.5000111.5
353P57.1Low50.6Low128 Ų128135.6 Ų135.683%0.83178%0.776SS**  cis-131.7-173-17.441.1-23.5000114.7
354G48.2Very low51.3Low79 Ų79132 Ų13281%0.81477%0.769SS**  trans-167124.5172.200000117.5
355V51.7Low51.3Low146 Ų146136.7 Ų136.789%0.88578%0.782SS**  trans-72153.9-172.6-75.30000118.6
356A49.8Very low51.5Low90 Ų90132 Ų13274%0.74478%0.783SS**  149.9149.9115.400000118.3
357N51.4Low51.3Low156 Ų156138.3 Ų138.383%0.83479%0.791SS**  trans66.581152.1-663.8000124.3
358M56.5Low51.1Low189 Ų189140.3 Ų140.393%0.93179%0.79SS**  35158.5112.7-80.7-107.7153.300125.4
359P61.5Low50.7Low104 Ų104139.3 Ų139.368%0.67579%0.786SS**  trans-113.2-147.7-164.247.7-35.2000112.3
360P61.4Low50.3Low114 Ų114137.7 Ų137.774%0.7479%0.786SS**  cis-134.3-162-12.341.6-21.9000114.4
361N54.2Low50.5Low132 Ų132136.7 Ų136.771%0.70679%0.794SS**  150.3151.8121.5-15812.3000116.2
362M52Low50.4Low166 Ų166134.3 Ų134.382%0.81879%0.792SS**  trans61.9132163.9-57.8-140.8177.800123.6
363G43.2Very low50.1Low68 Ų68135.2 Ų135.270%0.70180%0.798SS**  trans-90.3-143.3151.400000111
364P58.5Low49.3Very low107 Ų107135.1 Ų135.170%0.69579%0.791SS**  cis-144.5-175.81544.7-26.2000116.9
365Y45.3Very low49.4Very low232 Ų232137.1 Ų137.191%0.9179%0.788SS**  trans57.5161.4160.4-63.4-60.5000118.4
366A47.5Very low49.1Very low92 Ų92136.9 Ų136.976%0.7678%0.781SS**  cis-143.2-177.30.900000112
367R42.3Very low49Very low239 Ų239144.1 Ų144.190%0.90279%0.789SS**  trans-69.9163164.2-63.7179.2173.3-167.1-2.3109.5
368Q45.8Very low49Very low177 Ų177142.2 Ų142.283%0.82779%0.786SS**  -175.7153.963.5-147.9171.32.900113.8
369S42.3Very low48.7Very low104 Ų104142 Ų14273%0.72778%0.784SS**  trans34.4106.6151.757.40000122.2
370G38.9Very low47.9Very low71 Ų71140.9 Ų140.973%0.73279%0.792SS**  93112.3103.200000120.7
371T49.3Very low47.5Very low150 Ų150144.2 Ų144.292%0.9280%0.8SS**  trans-169.1152.9139.17.90000109.7
372Q46.3Very low47.1Very low167 Ų167145.3 Ų145.378%0.7881%0.805SS**  trans-91.3165.1163.9-66.7-166.8-0.900109.9
373P49.1Very low47.3Very low128 Ų128143.6 Ų143.683%0.83180%0.804SS**  -131.6156.792.515.54.9000115.6
374N39.3Very low48Very low126 Ų126145.7 Ų145.767%0.67480%0.803SS**  trans-68.2139.1172.9171.422.9000112.8
375T50.2Low48.3Very low122 Ų122146.1 Ų146.175%0.74881%0.806SS**  trans-162.9127.4137.250000114.1
376N45.9Very low49.5Very low141 Ų141141 Ų14175%0.75480%0.801SS**  trans43.9108147.7-58.4-12.3000121.4
377R48.1Very low49.6Very low241 Ų241143 Ų14391%0.90980%0.799SS**  trans-74.5160.4151-78.7-179.5165.8-172.6-4.9111.4
378P51.3Low50.6Low117 Ų117137.3 Ų137.376%0.7679%0.793SS**  -131.9159.7114.737.5-30.9000114.5
379M50Low50.6Low183 Ų183133.5 Ų133.590%0.90179%0.786SS**  trans36101.6161.6-58.6-51.7-163.800119.7
380G46Very low50.8Low81 Ų81133.8 Ų133.884%0.83579%0.788SS**  trans-95.9124.9157.300000111L382G380-L382 PolarHBondContact O-N 2.9Å
381M51.4Low51.2Low184 Ų184138.1 Ų138.191%0.90679%0.794SS**  trans-77.4109.3175.2-70-84.9-79.400110.1
382L46.4Very low51.2Low156 Ų156138.9 Ų138.982%0.81779%0.789SS**  trans-104.7107.9170.7-17566.7000109.4G380 T384G380-L382 PolarHBondContact O-N 2.9Å; L382-T384 PolarHBondContact O-N 3.4Å
383V55.9Low51.2Low130 Ų130141 Ų14179%0.78880%0.796SS**  trans-79.1113.2178178.90000109.6
384T57.8Low51.5Low111 Ų111140.4 Ų140.468%0.68179%0.791SS**PPolyproline II helixtrans-102.4130.7167.837.60000110.2L382L382-T384 PolarHBondContact O-N 3.4Å
385P66.3Low52.7Low116 Ų116139.9 Ų139.975%0.75379%0.794SS**PPolyproline II helixtrans-73.5140.917729.7-33.8000111.2
386P69.1Low53Low125 Ų125140.5 Ų140.581%0.81280%0.797SS**PPolyproline II helixtrans-76.7143.4-179.630.6-34.6000112.7
387N50.9Low53.8Low133 Ų133140.7 Ų140.771%0.71180%0.797SS**PPolyproline II helixtrans-84.8126.7178.6-176.229.9000111.2S389N387-S389 VanDerWaalsContact C-N 3.34Å; N387-S389 PolarHBondContact O-N 3.11Å
388P62.2Low54.9Low121 Ų121133.9 Ų133.979%0.78678%0.784SS**  trans-78.678.3178.332.3-35.3000112S390P388-S390 PolarHBondContact O-N 2.96Å; P388-S390 VanDerWaalsContact O-N 3.11Å
389S46.8Very low55.8Low96 Ų96134.2 Ų134.267%0.67179%0.786SS**  trans-71.7102174.4-66.80000112N387N387-S389 VanDerWaalsContact C-N 3.34Å; N387-S389 PolarHBondContact O-N 3.11Å
390S45.3Very low56.1Low110 Ų110131.6 Ų131.677%0.76978%0.784SS**  trans-18.5128161.654.50000117.4P388P388-S390 PolarHBondContact O-N 2.96Å; P388-S390 VanDerWaalsContact O-N 3.11Å
391N47.5Very low56.5Low162 Ų162134.9 Ų134.987%0.86678%0.783SS**  trans-159.3155.8147.5-119.4-27.5000113
392M49Very low56.5Low167 Ų167131.5 Ų131.582%0.82377%0.774SS**  trans59.387.3170.7-52.6-151.4-57.300118.5
393F47.9Very low56.7Low212 Ų212129.2 Ų129.293%0.9377%0.771SS**  trans-133104.4140.5-121.2-86.6000108.7
394T54.4Low56.5Low115 Ų115128.3 Ų128.371%0.70678%0.777SS**  trans-82.4128.7174.545.90000109.8V396T394-V396 PolarHBondContact O-N 3.31Å
395P63.8Low55.9Low115 Ų115126.1 Ų126.175%0.74778%0.777SS**  trans-69119.6167.929-32.1000109.2I397P395-I397 PolarHBondContact O-N 3.13Å
396V58.1Low55.2Low134 Ų134129.6 Ų129.681%0.81279%0.788SS**  trans-72111.7169.6174.90000107.7T394 P398T394-V396 PolarHBondContact O-N 3.31Å; V396-P398 WeakPolarHBondContact O-CD 3.18Å
397I61.7Low54.3Low146 Ų146127.3 Ų127.375%0.74979%0.787SS**PPolyproline II helixtrans-77120.9173.8-61.1173.6000107.6P395P395-I397 PolarHBondContact O-N 3.13Å
398P71.3Confident54.5Low98 Ų98127.3 Ų127.364%0.63679%0.792SS**PPolyproline II helixtrans-69.4142.5172.329.7-33.6000110V396V396-P398 WeakPolarHBondContact O-CD 3.18Å
399P71Confident54.5Low124 Ų124127.5 Ų127.581%0.80579%0.794SS**PPolyproline II helixtrans-65.6137.5175.628.4-34.1000110.5D401P399-D401 PolarHBondContact O-N 3.15Å
400C55.9Low54.6Low128 Ų128131.6 Ų131.687%0.86580%0.802SS**PPolyproline II helixtrans-76120.7169.6-68.60000109.4
401D54.7Low55Low150 Ų150138.1 Ų138.180%0.80281%0.81SS**PPolyproline II helixtrans-92.7121.4177.8-161.3-15.4000110.4P399P399-D401 PolarHBondContact O-N 3.15Å
402P51.6Low55.2Low113 Ų113136 Ų13673%0.73481%0.805SS**  trans-111.469.7-173.839.6-30.5000113.2
403S49.9Very low55.8Low107 Ų107136.2 Ų136.275%0.74881%0.808SS**  trans-160.6147.1166.3-88.30000115.2
404A51.6Low56.3Low111 Ų111134.5 Ų134.592%0.91781%0.805SS**  trans60.9148.1178.600000116.7
405G45.9Very low56.6Low65 Ų65134.4 Ų134.467%0.6781%0.806SS**  cis147.1138.5-8.700000112.9
406L51.8Low56.9Low189 Ų189135.1 Ų135.199%0.9981%0.811SS**  trans72150.1175.8-53.8162.7000116.3
407G49.2Very low56.6Low77 Ų77136.7 Ų136.779%0.79481%0.814SS**  trans11948.2159.700000119.3
408T54.1Low56.2Low134 Ų134135.8 Ų135.882%0.82282%0.82SS**  trans-89.4154.4159.554.20000111.3
409P63.4Low55Low125 Ų125134.2 Ų134.281%0.81282%0.822SS**  -126.8153.2129.436.2-30.7000112.5
410Q47.8Very low53.7Low181 Ų181134.1 Ų134.185%0.84682%0.824SS**  trans-88.2158.3-173.3-59.3161-62.600112.8
411R53.7Low53.6Low247 Ų247133.2 Ų133.293%0.93282%0.817SS**  trans-126.8138.3139.2-84.5-166.4170.6-143.6-1.3109.7
412P52.3Low53.3Low119 Ų119136.9 Ų136.977%0.77382%0.82SS**  trans-92.9155.7-171.936.2-35.8000113.5
413I62.5Low53Low171 Ų171137.7 Ų137.788%0.87782%0.818SS**  trans-129.3141.1159.9-63.2-179.1000107.5
414M58.5Low53Low176 Ų176137.4 Ų137.487%0.86782%0.815SS**PPolyproline II helixtrans-85143.5-169.2-64.7164.258.400113.4
415P60.6Low52.9Low112 Ų112137.1 Ų137.173%0.72780%0.803SS**PPolyproline II helixtrans-98.3143.3166.136.1-30.8000112.6
416P68.6Low53.1Low130 Ų130139.8 Ų139.884%0.84481%0.806SS**PPolyproline II helixtrans-86.9149.2164.133.9-31.8000112
417L52.2Low52.9Low168 Ų168138.8 Ų138.888%0.8880%0.796SS**  trans-132.4105.8-172.6-113.2168.7000112.2
418S54.5Low52.7Low126 Ų126140 Ų14088%0.88179%0.793SS**  trans175151.516251.20000110.4
419G46Very low52.5Low66 Ų66138.2 Ų138.268%0.6879%0.792SS**  cis159.460-600000117.5
420S42.8Very low52Low122 Ų122140.1 Ų140.185%0.85379%0.793SS**  trans60.6170.4151.1-61.90000120.3
421P54.3Low51.9Low109 Ų109139.7 Ų139.771%0.70879%0.791SS**  cis-134.4-163.4-48.138.9-21.5000112.8
422R47.6Very low51.5Low227 Ų227132.6 Ų132.686%0.85778%0.779SS**  trans79150.4173.6-64.8178.9168.2168.2-4115.4
423N46.6Very low51.5Low130 Ų130133 Ų13370%0.69578%0.78SS**  cis-155.8157.73.9-128.215.1000111.8
424S48.4Very low50.8Low100 Ų100130.1 Ų130.170%0.69977%0.772SS**  trans66.9152.2149.6-67.10000120.5
425T50Low50.4Low106 Ų106129.9 Ų129.965%0.6577%0.771SS**  cis-168150.8-12.8-89.60000110.1
426T50.5Low50.1Low121 Ų121131.2 Ų131.274%0.74277%0.771SS**  trans64.8152.9168.744.40000119.1
427Q46.4Very low49.2Very low168 Ų168130.3 Ų130.379%0.78576%0.764SS**  cis-152.1158.80.6-138160.818.700113.4
428S46.8Very low49.2Very low103 Ų103131.7 Ų131.772%0.7277%0.766SS**  trans28.6123.4155.453.40000121.2
429A48.6Very low48.8Very low96 Ų96129.4 Ų129.479%0.79376%0.763SS**  cis98.593.220.100000117.5
430I53.5Low48.7Very low165 Ų165134.8 Ų134.885%0.84677%0.772SS**  trans-170.9156.9150.936.2171.7000108
431Q46.4Very low49.1Very low172 Ų172134.4 Ų134.480%0.80477%0.769SS**  cis-159.6154.5-40.7-169.8167.113.300107.5
432S45.2Very low48.7Very low98 Ų98139.5 Ų139.569%0.68578%0.776SS**  trans-8.2152.1172.7-39.40000120.5
433T52Low49.3Very low127 Ų127134.5 Ų134.578%0.77977%0.773SS**  cis-169.9150.431.5-28.60000110.9
434P47.5Very low49.6Very low111 Ų111133.9 Ų133.972%0.72178%0.776SS**  trans-106.5123.617535.4-28.6000115.1
435M50.8Low49.4Very low170 Ų170137.5 Ų137.584%0.83778%0.784SS**  trans-164.8152.3170.2-79.3-54162.200109.4
436I54.4Low49.2Very low141 Ų141140.8 Ų140.872%0.72379%0.785SS**  cis-156.3149.7-24.4-145.4175.6000107.4
437P48.9Very low49.4Very low110 Ų110138.2 Ų138.271%0.71477%0.771SS**  trans-107.2110.5-170.135.8-27.7000115.4
438H52.6Low49.5Very low198 Ų198134 Ų13492%0.91776%0.758SS**  trans-154.9153.7165.8-80.2-35.7000111.8
439G45.3Very low49.8Very low78 Ų78132.5 Ų132.580%0.80475%0.746SS**  trans141.162.2165.700000117.6
440M44.8Very low49.5Very low179 Ų179132.4 Ų132.488%0.88275%0.745SS**  trans-70.4129.1164.2-77.6-77.4-157.200110.6
441S50.1Low48.8Very low113 Ų113133.7 Ų133.779%0.7975%0.747SS**  trans-161.2128.1161.3-166.40000112.4
442Y46.3Very low48.6Very low217 Ų217130.9 Ų130.985%0.85175%0.747SS**  trans-119.2130.8173.2-75-89.9000110.2
443P60.3Low48.6Very low122 Ų122133.8 Ų133.879%0.79275%0.751SS**  trans-97.4159.9163.235.4-30.4000112.5
444P53.3Low48.1Very low116 Ų116134.6 Ų134.675%0.75375%0.751SS**  trans-124.7169.8-160.442.4-29.6000117.5
445M44.5Very low47.9Very low176 Ų176135.5 Ų135.587%0.86776%0.76SS**  trans69.9130.2150-73.4-88.997.100122.6
446Y46Very low47.2Very low175 Ų175132.9 Ų132.969%0.68676%0.759SS**  trans-104.1149.1157.9-76.2-92.7000110.3P305P305-Y446 HydrophobicContact CG-CD1 4.19Å
447P54Low46.8Very low67 Ų67132.6 Ų132.644%0.43576%0.763SS.*  trans-118.6128.5173.126.5-10.4000116.1P305 T306P305-P447 WeakPolarHBondContact CB-O 3.17Å; P305-P447 WeakPolarHBondContact CG-O 3.48Å; T306-P447 HydrophobicContact CG2-CG 4Å; T306-P447 WeakPolarHBondContact CG2-O 3.27Å; T306-P447 PolarHBondContact N-O 3.38Å
448P48.1Very low46.6Very low80 Ų80138.4 Ų138.452%0.51977%0.771SS.*  trans-49160.4-164.7-33.636.9000122.3T306 Q307T306-P448 CarbonylContact C-O 3.47Å; T306-P448 PolarHBondContact N-O 2.95Å; T306-P448 VanDerWaalsContact N-O 3.14Å; Q307-P448 WeakPolarHBondContact CG-O 3.22Å; Q307-P448 PolarHBondContact N-O 3.36Å
449P53.4Low46.4Very low71 Ų71134.6 Ų134.646%0.46176%0.764SS.*  trans-94.5171.5-176.838.3-38.1000117.1L304 P305 T306L304-P449 HydrophobicContact CD1-CG 4.07Å; L304-P449 HydrophobicContact CD2-CG 4.2Å; L304-P449 HydrophobicContact CG-CG 3.9Å; P305-P449 HydrophobicContact CB-CB 4.48Å; T306-P449 CarbonylContact O-C 2.99Å; T306-P449 WeakPolarHBondContact O-CA 3.17Å
450A43.1Very low46.3Very low94 Ų94139.3 Ų139.378%0.77777%0.767SS**  trans-149.4167.9166.600000116T306T306-A450 PolarHBondContact O-N 3.4Å
451Q38.7Very low46.3Very low192 Ų192136.1 Ų136.190%0.89776%0.761SS**  trans-103.4161.3-163.9-56.1158.1-3.900114.5
452S42.4Very low46.5Very low113 Ų113136.5 Ų136.579%0.7976%0.761SS**  trans-161.5102.9157.9-167.70000109.2
453M45.2Very low46.6Very low159 Ų159132 Ų13278%0.78376%0.758SS**  79105.686-75.5-72.5-173.300116
454N40.2Very low45.6Very low145 Ų145133.4 Ų133.478%0.77576%0.758SS**  trans28.2127.8146.2-66.1-20.4000121.4
455S43Very low45.3Very low130 Ų130136.9 Ų136.991%0.90976%0.764SS**  -151.4131.2117.5-860000113.4
456S37Very low44.9Very low115 Ų115135.4 Ų135.480%0.80476%0.76SS**  trans-69.9147176.1175.20000112.6
457T45.7Very low44.8Very low134 Ų134133.6 Ų133.682%0.82277%0.767SS**  trans-168.4136.6133.3-77.30000110.7
458R44.7Very low44.1Very low233 Ų233139.4 Ų139.488%0.87979%0.786SS**  trans-89.6155.1171.4-93.9-177.3167.7-161.2-1.7110.2
459P47.5Very low43.9Very low118 Ų118142.5 Ų142.577%0.76680%0.803SS**  -149.2144.999.636.1-18.5000117.9
460M44.6Very low43.2Very low176 Ų176144.7 Ų144.787%0.86782%0.82SS**  trans32.1131.1136.6-59.5-176.665.800123.1
461C44.9Very low43.2Very low112 Ų112144.1 Ų144.176%0.75782%0.823SS**  trans-73.9168.4149.2-40.40000111
462P52.8Low43.2Very low122 Ų122140 Ų14079%0.79282%0.815SS**  -138.3-160.7122.947.7-35.5000110.6
463P50.2Low43.2Very low122 Ų122144.8 Ų144.879%0.79282%0.817SS**  -128.8-174.8-128.527.40.5000116
464I38.9Very low43Very low151 Ų151144.1 Ų144.177%0.77482%0.817SS**  trans-71.3138.6176.2-59.5161.9000111.7
465Q47.1Very low42.9Very low190 Ų190142.6 Ų142.689%0.88882%0.818SS**  trans-138.9134.6149.8-74.7-164.5-15.300111.4
466N36.1Very low43Very low145 Ų145144.2 Ų144.278%0.77581%0.813SS**  trans-81.9153.6166.2-70.5-23.2000110.1
467T42.4Very low43.4Very low137 Ų137146.1 Ų146.184%0.8481%0.809SS**  trans-155149.3141.5-76.50000109.6
468F39.5Very low43.2Very low189 Ų189143.7 Ų143.783%0.82980%0.797SS**  trans-74.7162.5-178.7-72.8-118.7000112.4
469V43.9Very low43.1Very low144 Ų144137.9 Ų137.987%0.87379%0.792SS**  -176.8150.7110148.80000110.6
470S38.6Very low42.9Very low118 Ų118136.9 Ų136.983%0.82579%0.794SS**  trans-76157.7-171.2-44.80000115
471G43.1Very low43Very low81 Ų81133.3 Ų133.384%0.83579%0.792SS**  trans-172.992.9168.400000113.7
472S38.7Very low43.2Very low106 Ų106136.1 Ų136.174%0.74180%0.799SS**  trans-83.1150.7170.1-52.80000111.1
473Y42.4Very low43.5Very low213 Ų213135.9 Ų135.984%0.83580%0.798SS**  170.3145.3121.5-94-63.7000114.4
474N41.3Very low43.4Very low145 Ų145136.3 Ų136.378%0.77580%0.798SS**  trans62104.3149.4-62.8-14000122.7
475S39.3Very low43.8Very low113 Ų113134.9 Ų134.979%0.7980%0.796SS**  trans-41.9151.4143.9173.40000115.7
476M44.2Very low43.6Very low164 Ų164130.5 Ų130.581%0.80879%0.786SS**  trans-154.7135.5145.2-91.9-133.9161.600112.4
477H45.2Very low44.2Very low155 Ų155131.1 Ų131.172%0.71879%0.789SS**  trans42.7145.9133.8-77.1-79000122.2
478S41.6Very low44.1Very low83 Ų83131.2 Ų131.258%0.5878%0.784SS**  cis-170.3154.8-5.4-142.30000111.4
479S41.9Very low44.3Very low111 Ų111127.5 Ų127.578%0.77678%0.777SS**  trans59168.2141.4-53.40000120.6
480A43.6Very low44.3Very low97 Ų97127.9 Ų127.980%0.80277%0.773SS**  cis-169.9145.2-41.600000109
481A48.3Very low44.9Very low101 Ų101130 Ų13084%0.83577%0.774SS**  trans-156.8160.1167.800000111
482L49Very low44.8Very low171 Ų171131.3 Ų131.390%0.89577%0.771SS**  trans-125.5164.6-161.3-79172.9000115
483P57.3Low45.2Very low117 Ų117136.5 Ų136.576%0.7678%0.78SS**  trans-99.9178.1-166.340.5-37.6000114.9
484V49Very low45.5Very low132 Ų132130.9 Ų130.980%0.878%0.777SS**  trans-135.2131178.2178.20000112.4
485T47.1Very low45.5Very low121 Ų121129.6 Ų129.674%0.74278%0.779SS**  trans-23172164.356.30000121
486S42.9Very low46.4Very low97 Ų97129.9 Ų129.968%0.67878%0.779SS**  cis171.5154.9-22.7-780000108.1
487L48.2Very low46.8Very low159 Ų159126.2 Ų126.283%0.83278%0.775SS**  trans172112.8151.6-93.8167.6000106.3
488N41.8Very low47.2Very low138 Ų138124.8 Ų124.874%0.73878%0.779SS**  72.9139.367.1-72-0000115
489T43.3Very low47.8Very low112 Ų112128.6 Ų128.669%0.68779%0.793SS**  cis-166.6169.7-22.9-530000107.2
490I43.6Very low48Very low151 Ų151131.8 Ų131.877%0.77480%0.796SS**  trans76.3112.8165-44.4174.9000113.8
491L51.2Low48.2Very low163 Ų163132.5 Ų132.585%0.85379%0.79SS**  -158.9147.268.8-171.767.5000112
492S41Very low48.5Very low109 Ų109135.7 Ų135.776%0.76279%0.788SS**  trans-129.1135.4-177.5-53.60000112.9
493K46.1Very low48.3Very low215 Ų215138.3 Ų138.394%0.93579%0.787SS**  trans142.7147.7164.4-88173.7178.4-177.20108.8
494A49.2Very low48.1Very low94 Ų94143.3 Ų143.378%0.77779%0.792SS**  cis-161.6156.6-20.900000107.7
495S41.4Very low48.9Very low118 Ų118142.7 Ų142.783%0.82579%0.789SS**  trans-142.1127.6176.3-174.50000111
496P57.7Low49.9Very low119 Ų119142.5 Ų142.577%0.77379%0.79SS**  trans-110.7159.4162.135.9-26000112.5
497A53.4Low50.9Low88 Ų88143.4 Ų143.473%0.72780%0.796SS**  trans-75.5167.6-175.300000113.5
498P52.9Low51.9Low124 Ų124146.3 Ų146.381%0.80580%0.798SS**  trans-77.5149.3-178.532.5-35.5000112.7
499N54.9Low53.4Low163 Ų163144.8 Ų144.887%0.87280%0.795SS**  trans-104.9145.1168.7-82.5-3.9000111
500E45Very low54.3Low179 Ų179147.2 Ų147.284%0.83680%0.804SS**  trans-83-178.3172.9-59179.698.400112.4
501T49.1Very low55.5Low112 Ų112150 Ų15069%0.68781%0.807SS**  trans67.9117.7165.6120000115.7
502H53.8Low56Low168 Ų168155.1 Ų155.178%0.77883%0.826SS**  cis-156.1156.349.3-90.1-85.1000113.3
503Y44.9Very low56.8Low226 Ų226157.5 Ų157.589%0.88683%0.829SS**  trans-68.4141.7163.5-81.1-101.7000111.2
504Y54.2Low57.4Low221 Ų221154.4 Ų154.487%0.86782%0.824SS**  trans-130.6125162.8-118.3-86.1000109.7
505T64.8Low57.8Low120 Ų120157.8 Ų157.874%0.73683%0.826SS**  trans-88.7135.9176.236.40000110.9S507T505-S507 PolarHBondContact O-N 3.39Å
506P68.8Low58.8Low116 Ų116160.1 Ų160.175%0.75383%0.826SS**  trans-82.4112.5171.331.3-31.2000110.6
507S63.7Low58.8Low117 Ų117162.7 Ų162.782%0.81883%0.83SS**PPolyproline II helixtrans-76134167.5-71.40000110.9T505T505-S507 PolarHBondContact O-N 3.39Å
508Y68.1Low59.2Low220 Ų220167.7 Ų167.786%0.86384%0.836SS**PPolyproline II helixtrans-72.2145.5171.4-82-101.5000111.5
509P74.8Confident59.7Low106 Ų106170.8 Ų170.869%0.68884%0.839SS**PPolyproline II helixtrans-72.7135.5168.731.1-33.2000110.4
510N61.3Low60Low163 Ų163171.4 Ų171.487%0.87284%0.836SS**PPolyproline II helixtrans-89.6134.4172.4-1625.1000109.5
511Y68.3Low61.3Low210 Ų210170.8 Ų170.882%0.82484%0.836SS**PPolyproline II helixtrans-94.4152.4174.2-92.7-94.3000110.5
512Q63.5Low62.4Low270 Ų270176.1 Ų176.1100%1.26285%0.85SS**  trans-71.80179.1-75.2-176.1-4300113.1

Retrieved 512 of 512 residues in 134.7 ms (Link to these results)

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