A0A5K4F9W4_SCHMA Loading...

LisH domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F9W4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 552 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M42.9Very low54.6Low234 Ų234146.5 Ų146.5100%1.15382%0.816SS**  0125.10-73.7-180156.800107.6
2Y39.8Very low57.1Low240 Ų240139 Ų13994%0.94178%0.78SS**  trans-118.9129.6175.2-76.1-72.5000110
3G51.3Low59.6Low76 Ų76138 Ų13878%0.78477%0.772SS**PPolyproline II helixtrans-74.6150.1-169.300000112.9S5G3-S5 PolarHBondContact O-N 3.41Å
4K46.3Very low61.8Low207 Ų207134.7 Ų134.790%0.976%0.757SS**PPolyproline II helixtrans-51.8128.9176.8-82159.6170.4169.70111.7K6K4-K6 PolarHBondContact O-N 3.37Å
5S49.4Very low63.8Low120 Ų120132.3 Ų132.384%0.83974%0.738SS**PPolyproline II helixtrans-52123.7166.1-32.80000109.2G3 S7G3-S5 PolarHBondContact O-N 3.41Å; S5-S7 PolarHBondContact O-N 3.24Å
6K51.7Low65.6Low203 Ų203127.4 Ų127.488%0.88372%0.715SS**PPolyproline II helixtrans-67.1116.6163.6-68.2176.5-179.2176.20106.3K4 V8K4-K6 PolarHBondContact O-N 3.37Å; K6-V8 PolarHBondContact O-N 3.23Å; K6-V8 VanDerWaalsContact O-N 3.17Å
7S50.5Low67.2Low111 Ų111128.6 Ų128.678%0.77671%0.711SS**PPolyproline II helixtrans-56.3122.4165.539.40000107.6S5 G9S5-S7 PolarHBondContact O-N 3.24Å; S7-G9 PolarHBondContact O-N 2.88Å
8V60.2Low68.7Low136 Ų136125.4 Ų125.482%0.82469%0.69SS**  trans-61.1107.5163.9174.90000104.8K6 I10K6-V8 PolarHBondContact O-N 3.23Å; K6-V8 VanDerWaalsContact O-N 3.17Å; V8-I10 PolarHBondContact O-N 3.36Å
9G60.4Low70Confident62 Ų62124.8 Ų124.864%0.63968%0.679SS**  trans-62.8104.6-168.800000110.1S7 P11S7-G9 PolarHBondContact O-N 2.88Å; G9-P11 VanDerWaalsContact O-N 3.16Å
10I73.5Confident71.2Confident158 Ų158123.3 Ų123.381%0.8167%0.67SS**PPolyproline II helixtrans-55.3120.7169.6-61.1171.9000105.9V8 S12V8-I10 PolarHBondContact O-N 3.36Å; I10-S12 PolarHBondContact O-N 2.91Å
11P74.8Confident72.4Confident65 Ų65118 Ų11842%0.42264%0.643SS.*PPolyproline II helixtrans-61.6127.5179.426-33.3000108.2G9 Q15G9-P11 VanDerWaalsContact O-N 3.16Å; P11-Q15 HydrophobicContact CB-CB 4.47Å
12S84.7Confident74.9Confident56 Ų56108.9 Ų108.939%0.39260%0.6SS.*PPolyproline II helixtrans-59.6149.1174.2550000110I10 T14 Q15 S16I10-S12 PolarHBondContact O-N 2.91Å; S12-T14 PolarHBondContact O-N 3.5Å; S12-Q15 PolarHBondContact O-N 3.16Å; S12-S16 PolarHBondContact O-N 3.07Å; S12-S16 PolarHBondContact O-OG 2.87Å
13D89.2Confident77.5Confident126 Ų126100.6 Ų100.667%0.67457%0.568SS**Hα-helixtrans-52.4-33.2-179-59.8-84.4000112.6S16 K17D13-S16 PolarHBondContact O-N 3.05Å; D13-K17 WeakPolarHBondContact O-CB 3.4Å; D13-K17 VanDerWaalsContact O-CG 3.23Å; D13-K17 WeakPolarHBondContact O-CG 3.48Å; D13-K17 PolarHBondContact O-N 2.85Å
14T90.6Very high79.6Confident92 Ų9298.9 Ų98.956%0.56454%0.542SS*.Hα-helixtrans-59.4-51.1172.1-47.10000112.2S12 S16 K17 E18S12-T14 PolarHBondContact O-N 3.5Å; T14-S16 VanDerWaalsContact C-N 3.32Å; T14-S16 PolarHBondContact O-N 3.47Å; T14-K17 PolarHBondContact O-N 3.27Å; T14-E18 WeakPolarHBondContact O-CG 3.39Å; T14-E18 PolarHBondContact O-N 3.06Å
15Q91Very high82Confident99 Ų9990.7 Ų90.746%0.46351%0.506SS..Hα-helixtrans-63.7-38.4177.7-76.8-17569.300112.2P11 S12 E18 K19P11-Q15 HydrophobicContact CB-CB 4.47Å; S12-Q15 PolarHBondContact O-N 3.16Å; Q15-E18 PolarHBondContact O-N 3.49Å; Q15-K19 WeakPolarHBondContact O-CG 3.45Å; Q15-K19 PolarHBondContact O-N 2.98Å
16S93.3Very high84.2Confident54 Ų5485.9 Ų85.938%0.37847%0.47SS..Hα-helixtrans-64-42.2176.9-60.50000111.4S12 D13 T14 L20S12-S16 PolarHBondContact O-N 3.07Å; S12-S16 PolarHBondContact O-OG 2.87Å; D13-S16 PolarHBondContact O-N 3.05Å; T14-S16 VanDerWaalsContact C-N 3.32Å; T14-S16 PolarHBondContact O-N 3.47Å; S16-L20 WeakPolarHBondContact O-CB 3.39Å; S16-L20 PolarHBondContact O-N 3.15Å
17K92.7Very high86.2Confident147 Ų14780.2 Ų80.264%0.63944%0.444SS*.Hα-helixtrans-65.9-42.4174.1-73.7169.5-178.1179.20112.6D13 T14 L20 A21D13-K17 WeakPolarHBondContact O-CB 3.4Å; D13-K17 VanDerWaalsContact O-CG 3.23Å; D13-K17 WeakPolarHBondContact O-CG 3.48Å; D13-K17 PolarHBondContact O-N 2.85Å; T14-K17 PolarHBondContact O-N 3.27Å; K17-L20 PolarHBondContact O-N 2.9Å; K17-A21 PolarHBondContact O-N 3.48Å
18E93.8Very high88.4Confident71 Ų7176.1 Ų76.133%0.33241%0.413SS..Hα-helixtrans-61-47175.9-75.5-172.5177.500111.7T14 Q15 A21 V22 W46 K48T14-E18 WeakPolarHBondContact O-CG 3.39Å; T14-E18 PolarHBondContact O-N 3.06Å; Q15-E18 PolarHBondContact O-N 3.49Å; E18-A21 PolarHBondContact O-N 3Å; E18-V22 WeakPolarHBondContact O-CG2 3.36Å; E18-V22 PolarHBondContact O-N 2.81Å; E18-V22 VanDerWaalsContact O-N 3.13Å; E18-W46 HydrophobicContact CB-CH2 4.01Å; E18-W46 HydrophobicContact CB-CZ3 4.26Å; E18-W46 HydrophobicContact CG-CH2 4.31Å; E18-W46 HydrophobicContact CG-CZ3 4.22Å; E18-W46 WeakPolarHBondContact O-CH2 3.35Å; E18-K48 IonicContact OE1-NZ 2.64Å; E18-K48 PolarHBondContact OE1-NZ 2.99Å; E18-K48 IonicContact OE2-NZ 2.73Å; E18-K48 PolarHBondContact OE2-NZ 2.9Å
19K93.3Very high90Very high114 Ų11470.7 Ų70.750%0.49638%0.38SS..Hα-helixtrans-63.2-41.9175.7-73.1-176.3179.4-1750112.2Q15 A21 V22 Y23Q15-K19 WeakPolarHBondContact O-CG 3.45Å; Q15-K19 PolarHBondContact O-N 2.98Å; K19-A21 VanDerWaalsContact C-N 3.32Å; K19-A21 PolarHBondContact O-N 3.47Å; K19-V22 WeakPolarHBondContact O-CB 3.34Å; K19-V22 PolarHBondContact O-N 3.08Å; K19-Y23 HydrophobicContact CB-CD2 4.45Å; K19-Y23 HydrophobicContact CB-CE2 4.04Å; K19-Y23 WeakPolarHBondContact O-CD2 3.34Å; K19-Y23 PolarHBondContact O-N 2.81Å
20L95.4Very high91.6Very high95 Ų9570 Ų7050%0.49736%0.36SS..Hα-helixtrans-60.5-42.1176.4-178.161.5000111.6S16 K17 V22 Y23 V24 L59S16-L20 WeakPolarHBondContact O-CB 3.39Å; S16-L20 PolarHBondContact O-N 3.15Å; K17-L20 PolarHBondContact O-N 2.9Å; L20-V22 PolarHBondContact O-N 3.44Å; L20-Y23 PolarHBondContact O-N 3.38Å; L20-V24 HydrophobicContact CD1-CG2 4.2Å; L20-V24 HydrophobicContact CG-CG2 4.37Å; L20-V24 WeakPolarHBondContact O-CB 3.45Å; L20-V24 VanDerWaalsContact O-CG2 3.31Å; L20-V24 WeakPolarHBondContact O-CG2 3.47Å; L20-V24 PolarHBondContact O-N 2.95Å; L20-L59 HydrophobicContact CD1-CD1 4.41Å
21A95.8Very high92.6Very high12 Ų1266.8 Ų66.810%0.09934%0.344CS..Hα-helixtrans-60.8-42.7175.600000112.2K17 E18 K19 Y23 V24 Y25 F40 I44 W46K17-A21 PolarHBondContact O-N 3.48Å; E18-A21 PolarHBondContact O-N 3Å; K19-A21 VanDerWaalsContact C-N 3.32Å; K19-A21 PolarHBondContact O-N 3.47Å; A21-Y23 PolarHBondContact O-N 2.9Å; A21-V24 PolarHBondContact O-N 3.18Å; A21-Y25 WeakPolarHBondContact O-CB 3.49Å; A21-Y25 PolarHBondContact O-N 2.89Å; A21-F40 HydrophobicContact CB-CE1 4.35Å; A21-F40 HydrophobicContact CB-CZ 4.22Å; A21-F40 WeakPolarHBondContact O-CE1 3.46Å; A21-I44 HydrophobicContact CB-CD1 3.84Å; A21-W46 HydrophobicContact CB-CE3 4.23Å; A21-W46 HydrophobicContact CB-CH2 4.48Å; A21-W46 HydrophobicContact CB-CZ3 3.87Å
22V94.8Very high93.4Very high42 Ų4266.2 Ų66.226%0.25535%0.35SS..Hα-helixtrans-58.1-48.2173.6171.80000111.4E18 K19 L20 Y25 E26 W46 I50E18-V22 WeakPolarHBondContact O-CG2 3.36Å; E18-V22 PolarHBondContact O-N 2.81Å; E18-V22 VanDerWaalsContact O-N 3.13Å; K19-V22 WeakPolarHBondContact O-CB 3.34Å; K19-V22 PolarHBondContact O-N 3.08Å; L20-V22 PolarHBondContact O-N 3.44Å; V22-Y25 PolarHBondContact O-N 3.49Å; V22-E26 WeakPolarHBondContact O-CB 3.29Å; V22-E26 PolarHBondContact O-N 2.96Å; V22-W46 HydrophobicContact CG2-CH2 3.77Å; V22-W46 HydrophobicContact CG2-CZ2 3.5Å; V22-W46 VanDerWaalsContact CG2-CZ2 3.5Å; V22-I50 HydrophobicContact CG1-CG2 3.89Å; V22-I50 HydrophobicContact CG2-CD1 4.25Å; V22-I50 HydrophobicContact CG2-CG1 4.22Å
23Y95Very high93.9Very high67 Ų6764.8 Ų64.826%0.26334%0.342SS..Hα-helixtrans-68.4-33.7-179.2-64.5-42.6000113.5K19 L20 A21 Y27 F58K19-Y23 HydrophobicContact CB-CD2 4.45Å; K19-Y23 HydrophobicContact CB-CE2 4.04Å; K19-Y23 WeakPolarHBondContact O-CD2 3.34Å; K19-Y23 PolarHBondContact O-N 2.81Å; L20-Y23 PolarHBondContact O-N 3.38Å; A21-Y23 PolarHBondContact O-N 2.9Å; Y23-Y27 WeakPolarHBondContact O-CB 3.5Å; Y23-Y27 PolarHBondContact O-N 3.01Å; Y23-F58 HydrophobicContact CD1-CB 3.76Å; Y23-F58 AromaticContact CD1-CD1 3.64Å; Y23-F58 HydrophobicContact CD1-CD1 3.64Å; Y23-F58 HydrophobicContact CD1-CG 4.01Å; Y23-F58 AromaticContact CD2-CD1 3.8Å; Y23-F58 HydrophobicContact CD2-CD1 3.8Å; Y23-F58 HydrophobicContact CD2-CE1 4.12Å; Y23-F58 HydrophobicContact CE1-CB 3.73Å; Y23-F58 AromaticContact CE1-CD1 3.48Å; Y23-F58 HydrophobicContact CE1-CD1 3.48Å; Y23-F58 VanDerWaalsContact CE1-CD1 3.48Å; Y23-F58 HydrophobicContact CE1-CE1 4.28Å; Y23-F58 AromaticContact CE1-CG 3.68Å; Y23-F58 HydrophobicContact CE1-CG 3.68Å; Y23-F58 AromaticContact CE2-CD1 3.65Å; Y23-F58 HydrophobicContact CE2-CD1 3.65Å; Y23-F58 AromaticContact CE2-CE1 3.72Å; Y23-F58 HydrophobicContact CE2-CE1 3.72Å; Y23-F58 AromaticContact CG-CD1 3.81Å; Y23-F58 HydrophobicContact CG-CD1 3.81Å; Y23-F58 AromaticContact CZ-CD1 3.49Å; Y23-F58 VanDerWaalsContact CZ-CD1 3.49Å; Y23-F58 AromaticContact CZ-CE1 3.81Å
24V95.8Very high94.2Very high40 Ų4063.1 Ų63.124%0.24233%0.33CS..Hα-helixtrans-68.7-41.6173.3169.30000111L20 A21 Y27 L28 F40 L59L20-V24 HydrophobicContact CD1-CG2 4.2Å; L20-V24 HydrophobicContact CG-CG2 4.37Å; L20-V24 WeakPolarHBondContact O-CB 3.45Å; L20-V24 VanDerWaalsContact O-CG2 3.31Å; L20-V24 WeakPolarHBondContact O-CG2 3.47Å; L20-V24 PolarHBondContact O-N 2.95Å; A21-V24 PolarHBondContact O-N 3.18Å; V24-Y27 PolarHBondContact O-N 2.97Å; V24-L28 HydrophobicContact CG1-CD1 4.08Å; V24-L28 HydrophobicContact CG1-CG 4.46Å; V24-L28 WeakPolarHBondContact O-CB 3.31Å; V24-L28 VanDerWaalsContact O-CG 3.29Å; V24-L28 WeakPolarHBondContact O-CG 3.46Å; V24-L28 PolarHBondContact O-N 2.94Å; V24-F40 HydrophobicContact CB-CE1 4.13Å; V24-F40 HydrophobicContact CB-CZ 4.16Å; V24-F40 HydrophobicContact CG1-CD1 4.36Å; V24-F40 HydrophobicContact CG1-CE1 3.87Å; V24-F40 HydrophobicContact CG1-CE2 4.32Å; V24-F40 HydrophobicContact CG1-CZ 3.84Å; V24-L59 HydrophobicContact CG2-CD2 3.95Å
25Y95.7Very high94.4Very high35 Ų3567.8 Ų67.814%0.13734%0.342CS..Hα-helixtrans-63.1-46.1174.4172.3-98000112.1A21 V22 Y27 L28 V29 A37 L41 I50 V52A21-Y25 WeakPolarHBondContact O-CB 3.49Å; A21-Y25 PolarHBondContact O-N 2.89Å; V22-Y25 PolarHBondContact O-N 3.49Å; Y25-Y27 VanDerWaalsContact C-N 3.34Å; Y25-Y27 PolarHBondContact O-N 3.01Å; Y25-L28 PolarHBondContact O-N 3.19Å; Y25-V29 HydrophobicContact CD1-CG2 4.43Å; Y25-V29 HydrophobicContact CD2-CG2 4.46Å; Y25-V29 HydrophobicContact CE1-CG2 3.97Å; Y25-V29 HydrophobicContact CE2-CG2 3.98Å; Y25-V29 WeakPolarHBondContact O-CG2 3.48Å; Y25-V29 PolarHBondContact O-N 2.87Å; Y25-A37 HydrophobicContact CD2-CB 3.83Å; Y25-A37 WeakPolarHBondContact CD2-O 3.45Å; Y25-A37 HydrophobicContact CE2-CB 3.76Å; Y25-L41 HydrophobicContact CD2-CD1 3.57Å; Y25-L41 HydrophobicContact CD2-CD2 3.77Å; Y25-L41 HydrophobicContact CD2-CG 3.5Å; Y25-L41 HydrophobicContact CE1-CD1 4.46Å; Y25-L41 HydrophobicContact CE2-CD1 3.39Å; Y25-L41 HydrophobicContact CE2-CD2 4.46Å; Y25-L41 HydrophobicContact CE2-CG 3.8Å; Y25-L41 HydrophobicContact CG-CD1 4.18Å; Y25-L41 HydrophobicContact CG-CD2 3.97Å; Y25-L41 HydrophobicContact CG-CG 4.2Å; Y25-I50 HydrophobicContact CD1-CB 3.98Å; Y25-I50 HydrophobicContact CD1-CD1 3.61Å; Y25-I50 HydrophobicContact CD1-CG1 4.41Å; Y25-I50 HydrophobicContact CD1-CG2 3.68Å; Y25-I50 HydrophobicContact CE1-CB 4.02Å; Y25-I50 HydrophobicContact CE1-CD1 4.26Å; Y25-I50 HydrophobicContact CE1-CG2 3.99Å; Y25-I50 HydrophobicContact CG-CD1 3.86Å; Y25-V52 HydrophobicContact CD1-CG2 4.22Å; Y25-V52 HydrophobicContact CE1-CG2 3.64Å
26E95.1Very high94.7Very high18 Ų1866.9 Ų66.98%0.08434%0.344CS..Hα-helixtrans-54.7-49.5174.1173.1171.3-113.400111.2V22 L28 V29 H30 V52 G53 F58V22-E26 WeakPolarHBondContact O-CB 3.29Å; V22-E26 PolarHBondContact O-N 2.96Å; E26-L28 PolarHBondContact O-N 3.32Å; E26-V29 WeakPolarHBondContact O-CB 3.37Å; E26-V29 PolarHBondContact O-N 3.49Å; E26-H30 WeakPolarHBondContact CG-CE1 3.45Å; E26-H30 PolarHBondContact O-N 3.47Å; E26-H30 IonicContact OE1-CE1 3.74Å; E26-V52 HydrophobicContact CG-CG1 4.28Å; E26-G53 WeakPolarHBondContact OE1-CA 3.47Å; E26-G53 PolarHBondContact OE1-N 3.38Å; E26-F58 PolarHBondContact OE2-N 3.25Å
27Y95.6Very high94.9Very high84 Ų8464.3 Ų64.333%0.32933%0.326SS..Hα-helixtrans-58.7-47.9176.6175.2-111.6000112.9Y23 V24 Y25 V29 H30 I31 L59 H60Y23-Y27 WeakPolarHBondContact O-CB 3.5Å; Y23-Y27 PolarHBondContact O-N 3.01Å; V24-Y27 PolarHBondContact O-N 2.97Å; Y25-Y27 VanDerWaalsContact C-N 3.34Å; Y25-Y27 PolarHBondContact O-N 3.01Å; Y27-V29 VanDerWaalsContact C-N 3.25Å; Y27-V29 PolarHBondContact O-N 3.48Å; Y27-H30 PolarHBondContact O-N 3.28Å; Y27-I31 HydrophobicContact CD1-CD1 4.45Å; Y27-I31 HydrophobicContact CD2-CG2 3.96Å; Y27-I31 HydrophobicContact CE1-CD1 3.95Å; Y27-I31 HydrophobicContact CE1-CG2 4.41Å; Y27-I31 HydrophobicContact CE2-CG2 3.46Å; Y27-I31 VanDerWaalsContact CE2-CG2 3.46Å; Y27-I31 WeakPolarHBondContact O-CG1 3.46Å; Y27-I31 PolarHBondContact O-N 3.28Å; Y27-L59 HydrophobicContact CG-CD2 4.29Å; Y27-H60 HydrophobicContact CD2-CB 4.21Å; Y27-H60 HydrophobicContact CE2-CB 4.42Å; Y27-H60 AromaticContact CE2-ND1 3.79Å
28L95.9Very high95Very high25 Ų2561.1 Ų61.113%0.13132%0.315CS..Hα-helixtrans-61-33.9177.5-71.3172.1000112.3V24 Y25 E26 I31 A33 T36 A37 F40V24-L28 HydrophobicContact CG1-CD1 4.08Å; V24-L28 HydrophobicContact CG1-CG 4.46Å; V24-L28 WeakPolarHBondContact O-CB 3.31Å; V24-L28 VanDerWaalsContact O-CG 3.29Å; V24-L28 WeakPolarHBondContact O-CG 3.46Å; V24-L28 PolarHBondContact O-N 2.94Å; Y25-L28 PolarHBondContact O-N 3.19Å; E26-L28 PolarHBondContact O-N 3.32Å; L28-I31 HydrophobicContact CD2-CD1 4.25Å; L28-A33 HydrophobicContact CD2-CB 4.25Å; L28-A33 CarbonylContact O-C 3.57Å; L28-A33 WeakPolarHBondContact O-CA 3.1Å; L28-A33 WeakPolarHBondContact O-CB 3.25Å; L28-A33 PolarHBondContact O-N 2.96Å; L28-T36 HydrophobicContact CD1-CG2 4.27Å; L28-T36 HydrophobicContact CD2-CG2 4.1Å; L28-A37 HydrophobicContact CB-CB 3.73Å; L28-F40 HydrophobicContact CD1-CB 4.19Å; L28-F40 HydrophobicContact CD1-CD1 4.4Å; L28-F40 HydrophobicContact CD1-CG 4.33Å
29V94.5Very high95.1Very high23 Ų2360.7 Ų60.714%0.13932%0.32CS..Hα-helixtrans-68.8-47.8173.3163.10000111.3Y25 E26 Y27 I31 G32 A37 V52Y25-V29 HydrophobicContact CD1-CG2 4.43Å; Y25-V29 HydrophobicContact CD2-CG2 4.46Å; Y25-V29 HydrophobicContact CE1-CG2 3.97Å; Y25-V29 HydrophobicContact CE2-CG2 3.98Å; Y25-V29 WeakPolarHBondContact O-CG2 3.48Å; Y25-V29 PolarHBondContact O-N 2.87Å; E26-V29 WeakPolarHBondContact O-CB 3.37Å; E26-V29 PolarHBondContact O-N 3.49Å; Y27-V29 VanDerWaalsContact C-N 3.25Å; Y27-V29 PolarHBondContact O-N 3.48Å; V29-I31 PolarHBondContact O-N 3.18Å; V29-G32 PolarHBondContact O-N 3.45Å; V29-A37 HydrophobicContact CG2-CB 3.89Å; V29-V52 HydrophobicContact CB-CG1 4.37Å; V29-V52 HydrophobicContact CB-CG2 4.35Å; V29-V52 HydrophobicContact CG1-CB 4.46Å; V29-V52 HydrophobicContact CG1-CG1 3.73Å; V29-V52 HydrophobicContact CG1-CG2 4.11Å; V29-V52 HydrophobicContact CG2-CG2 4.32Å
30H92.9Very high95.3Very high47 Ų4757.5 Ų57.522%0.21831%0.307CS..Hα-helixtrans-66.2-35.1-177.5-70.7153.5000113.6E26 Y27 G32 V52 G53 G57E26-H30 WeakPolarHBondContact CG-CE1 3.45Å; E26-H30 PolarHBondContact O-N 3.47Å; E26-H30 IonicContact OE1-CE1 3.74Å; Y27-H30 PolarHBondContact O-N 3.28Å; H30-G32 PolarHBondContact O-N 3.41Å; H30-V52 WeakPolarHBondContact NE2-CG1 3.48Å; H30-G53 PolarHBondContact CE1-O 3.29Å; H30-G53 PolarHBondContact NE2-O 2.75Å; H30-G57 WeakPolarHBondContact CE1-CA 3.45Å; H30-G57 VanDerWaalsContact ND1-CA 3.34Å; H30-G57 WeakPolarHBondContact ND1-CA 3.48Å; H30-G57 PolarHBondContact ND1-N 3.44Å
31I94.2Very high95.2Very high90 Ų9054.4 Ų54.446%0.46229%0.29SS..THydrogen-bonded Turntrans-76.82.717371179000113.6Y27 L28 V29 A33Y27-I31 HydrophobicContact CD1-CD1 4.45Å; Y27-I31 HydrophobicContact CD2-CG2 3.96Å; Y27-I31 HydrophobicContact CE1-CD1 3.95Å; Y27-I31 HydrophobicContact CE1-CG2 4.41Å; Y27-I31 HydrophobicContact CE2-CG2 3.46Å; Y27-I31 VanDerWaalsContact CE2-CG2 3.46Å; Y27-I31 WeakPolarHBondContact O-CG1 3.46Å; Y27-I31 PolarHBondContact O-N 3.28Å; L28-I31 HydrophobicContact CD2-CD1 4.25Å; V29-I31 PolarHBondContact O-N 3.18Å; I31-A33 VanDerWaalsContact C-N 3.34Å; I31-A33 HydrophobicContact CD1-CB 4.05Å; I31-A33 HydrophobicContact CG1-CB 3.83Å; I31-A33 PolarHBondContact O-N 3Å
32G92.9Very high95.2Very high54 Ų5461 Ų6156%0.55732%0.319SS*.THydrogen-bonded Turntrans80.45.4-18000000115.4V29 H30 Q34V29-G32 PolarHBondContact O-N 3.45Å; H30-G32 PolarHBondContact O-N 3.41Å; G32-Q34 PolarHBondContact O-N 2.94Å
33A94.9Very high95.3Very high26 Ų2666.5 Ų66.522%0.21534%0.342CS..  trans-78.647.1-179.200000113.1L28 I31 K35 T36 A37L28-A33 HydrophobicContact CD2-CB 4.25Å; L28-A33 CarbonylContact O-C 3.57Å; L28-A33 WeakPolarHBondContact O-CA 3.1Å; L28-A33 WeakPolarHBondContact O-CB 3.25Å; L28-A33 PolarHBondContact O-N 2.96Å; I31-A33 VanDerWaalsContact C-N 3.34Å; I31-A33 HydrophobicContact CD1-CB 4.05Å; I31-A33 HydrophobicContact CG1-CB 3.83Å; I31-A33 PolarHBondContact O-N 3Å; A33-K35 VanDerWaalsContact C-N 3.3Å; A33-K35 PolarHBondContact O-N 3.34Å; A33-K35 VanDerWaalsContact O-N 3.15Å; A33-T36 WeakPolarHBondContact O-CA 3.31Å; A33-T36 WeakPolarHBondContact O-CB 3.49Å; A33-T36 PolarHBondContact O-N 3.3Å; A33-A37 PolarHBondContact O-N 3.48Å
34Q94.7Very high95.2Very high91 Ų9166.9 Ų66.943%0.42535%0.348SS..Hα-helixtrans-51.1-41.2-173.3-70.8-67.2-29.500114.3G32 A37 N38G32-Q34 PolarHBondContact O-N 2.94Å; Q34-A37 PolarHBondContact O-N 3.41Å; Q34-N38 PolarHBondContact O-N 3.21Å; Q34-N38 VanDerWaalsContact O-N 3.08Å; Q34-N38 PolarHBondContact O-ND2 3.22Å
35K96Very high95.1Very high190 Ų19075.3 Ų75.383%0.82638%0.375SS*.Hα-helixtrans-64.7-44.3177.9-67-177.7-179.8178.10111.5A33 N38 S39A33-K35 VanDerWaalsContact C-N 3.3Å; A33-K35 PolarHBondContact O-N 3.34Å; A33-K35 VanDerWaalsContact O-N 3.15Å; K35-N38 PolarHBondContact O-N 3.46Å; K35-S39 WeakPolarHBondContact O-CB 3.5Å; K35-S39 PolarHBondContact O-N 2.93Å
36T97.3Very high95.1Very high80 Ų8076 Ų7649%0.49138%0.377SS..Hα-helixtrans-65.8-42.8177.2-45.70000111.1L28 A33 N38 S39 F40L28-T36 HydrophobicContact CD1-CG2 4.27Å; L28-T36 HydrophobicContact CD2-CG2 4.1Å; A33-T36 WeakPolarHBondContact O-CA 3.31Å; A33-T36 WeakPolarHBondContact O-CB 3.49Å; A33-T36 PolarHBondContact O-N 3.3Å; T36-N38 PolarHBondContact O-N 3Å; T36-S39 PolarHBondContact O-N 2.87Å; T36-F40 VanDerWaalsContact O-CB 3.31Å; T36-F40 WeakPolarHBondContact O-CB 3.44Å; T36-F40 PolarHBondContact O-N 2.78Å
37A96Very high94.9Very high0 Ų081.7 Ų81.70%041%0.408CS..Hα-helixtrans-57.1-47.2176.100000112.2Y25 L28 V29 A33 Q34 F40 L41Y25-A37 HydrophobicContact CD2-CB 3.83Å; Y25-A37 WeakPolarHBondContact CD2-O 3.45Å; Y25-A37 HydrophobicContact CE2-CB 3.76Å; L28-A37 HydrophobicContact CB-CB 3.73Å; V29-A37 HydrophobicContact CG2-CB 3.89Å; A33-A37 PolarHBondContact O-N 3.48Å; Q34-A37 PolarHBondContact O-N 3.41Å; A37-F40 PolarHBondContact O-N 3.18Å; A37-L41 PolarHBondContact O-N 3.4Å
38N94.8Very high94.6Very high79 Ų7981.9 Ų81.942%0.42241%0.411SS..Hα-helixtrans-66.9-42.3177.1-78.6-84.8000112.4Q34 K35 T36 F40 L41 Q42Q34-N38 PolarHBondContact O-N 3.21Å; Q34-N38 VanDerWaalsContact O-N 3.08Å; Q34-N38 PolarHBondContact O-ND2 3.22Å; K35-N38 PolarHBondContact O-N 3.46Å; T36-N38 PolarHBondContact O-N 3Å; N38-F40 VanDerWaalsContact C-N 3.33Å; N38-F40 PolarHBondContact O-N 3.4Å; N38-L41 PolarHBondContact O-N 3.39Å; N38-Q42 WeakPolarHBondContact O-CG 3.43Å; N38-Q42 PolarHBondContact O-N 2.98Å
39S96.5Very high94.1Very high62 Ų6286.7 Ų86.743%0.43445%0.447SS..Hα-helixtrans-61.2-41.9176.8-166.50000111.9K35 T36 L41 Q42 E43K35-S39 WeakPolarHBondContact O-CB 3.5Å; K35-S39 PolarHBondContact O-N 2.93Å; T36-S39 PolarHBondContact O-N 2.87Å; S39-L41 PolarHBondContact O-N 3Å; S39-Q42 PolarHBondContact O-N 3.31Å; S39-E43 WeakPolarHBondContact O-CB 3.44Å; S39-E43 PolarHBondContact O-N 3.24Å
40F97Very high93.7Very high48 Ų4887.2 Ų87.221%0.21145%0.448CS..Hα-helixtrans-60.1-44.8178.8172.7-110.8000112.3A21 V24 L28 T36 A37 N38 Q42 E43 I44A21-F40 HydrophobicContact CB-CE1 4.35Å; A21-F40 HydrophobicContact CB-CZ 4.22Å; A21-F40 WeakPolarHBondContact O-CE1 3.46Å; V24-F40 HydrophobicContact CB-CE1 4.13Å; V24-F40 HydrophobicContact CB-CZ 4.16Å; V24-F40 HydrophobicContact CG1-CD1 4.36Å; V24-F40 HydrophobicContact CG1-CE1 3.87Å; V24-F40 HydrophobicContact CG1-CE2 4.32Å; V24-F40 HydrophobicContact CG1-CZ 3.84Å; L28-F40 HydrophobicContact CD1-CB 4.19Å; L28-F40 HydrophobicContact CD1-CD1 4.4Å; L28-F40 HydrophobicContact CD1-CG 4.33Å; T36-F40 VanDerWaalsContact O-CB 3.31Å; T36-F40 WeakPolarHBondContact O-CB 3.44Å; T36-F40 PolarHBondContact O-N 2.78Å; A37-F40 PolarHBondContact O-N 3.18Å; N38-F40 VanDerWaalsContact C-N 3.33Å; N38-F40 PolarHBondContact O-N 3.4Å; F40-Q42 VanDerWaalsContact C-N 3.34Å; F40-Q42 PolarHBondContact O-N 3.39Å; F40-E43 PolarHBondContact O-N 2.89Å; F40-I44 HydrophobicContact CD1-CD1 4.43Å; F40-I44 HydrophobicContact CD2-CG2 4.3Å; F40-I44 HydrophobicContact CE1-CD1 3.91Å; F40-I44 HydrophobicContact CE2-CD1 4.39Å; F40-I44 HydrophobicContact CE2-CG2 3.97Å; F40-I44 HydrophobicContact CZ-CD1 3.9Å; F40-I44 HydrophobicContact CZ-CG2 4.43Å; F40-I44 WeakPolarHBondContact O-CG1 3.09Å; F40-I44 PolarHBondContact O-N 3.4Å; F40-I44 VanDerWaalsContact O-N 3.14Å
41L94.8Very high93.5Very high29 Ų2990.4 Ų90.415%0.15248%0.476CS..Hα-helixtrans-63.8-38175.8-65.3-170.3000112.6Y25 A37 N38 S39 I44 R45 W46 I50Y25-L41 HydrophobicContact CD2-CD1 3.57Å; Y25-L41 HydrophobicContact CD2-CD2 3.77Å; Y25-L41 HydrophobicContact CD2-CG 3.5Å; Y25-L41 HydrophobicContact CE1-CD1 4.46Å; Y25-L41 HydrophobicContact CE2-CD1 3.39Å; Y25-L41 HydrophobicContact CE2-CD2 4.46Å; Y25-L41 HydrophobicContact CE2-CG 3.8Å; Y25-L41 HydrophobicContact CG-CD1 4.18Å; Y25-L41 HydrophobicContact CG-CD2 3.97Å; Y25-L41 HydrophobicContact CG-CG 4.2Å; A37-L41 PolarHBondContact O-N 3.4Å; N38-L41 PolarHBondContact O-N 3.39Å; S39-L41 PolarHBondContact O-N 3Å; L41-I44 HydrophobicContact CD2-CD1 4.49Å; L41-R45 PolarHBondContact O-N 2.84Å; L41-W46 HydrophobicContact CB-CB 4.12Å; L41-W46 HydrophobicContact CD2-CB 3.88Å; L41-W46 HydrophobicContact CD2-CG 3.87Å; L41-W46 PolarHBondContact O-N 3.39Å; L41-I50 HydrophobicContact CD1-CD1 4.27Å; L41-I50 HydrophobicContact CD2-CD1 3.73Å
42Q95Very high93.1Very high152 Ų15288.7 Ų88.771%0.7147%0.47SS*.Hα-helixtrans-67.3-42.4177.1-69.9177.3-2.600111.9N38 S39 F40 R45N38-Q42 WeakPolarHBondContact O-CG 3.43Å; N38-Q42 PolarHBondContact O-N 2.98Å; S39-Q42 PolarHBondContact O-N 3.31Å; F40-Q42 VanDerWaalsContact C-N 3.34Å; F40-Q42 PolarHBondContact O-N 3.39Å; Q42-R45 PolarHBondContact O-N 3.27Å; Q42-R45 VanDerWaalsContact O-N 3.15Å
43E96.5Very high92.6Very high157 Ų15788 Ų8873%0.73446%0.462SS*.Hα-helixtrans-64.6-46-178.6-173.7174.3174.100112.3S39 F40 R45S39-E43 WeakPolarHBondContact O-CB 3.44Å; S39-E43 PolarHBondContact O-N 3.24Å; F40-E43 PolarHBondContact O-N 2.89Å; E43-R45 PolarHBondContact O-N 3.42Å
44I94.2Very high92.2Very high74 Ų7494.6 Ų94.638%0.37949%0.489SS..THydrogen-bonded Turntrans-78.61175.975.4-174.6000113.2A21 F40 L41 W46A21-I44 HydrophobicContact CB-CD1 3.84Å; F40-I44 HydrophobicContact CD1-CD1 4.43Å; F40-I44 HydrophobicContact CD2-CG2 4.3Å; F40-I44 HydrophobicContact CE1-CD1 3.91Å; F40-I44 HydrophobicContact CE2-CD1 4.39Å; F40-I44 HydrophobicContact CE2-CG2 3.97Å; F40-I44 HydrophobicContact CZ-CD1 3.9Å; F40-I44 HydrophobicContact CZ-CG2 4.43Å; F40-I44 WeakPolarHBondContact O-CG1 3.09Å; F40-I44 PolarHBondContact O-N 3.4Å; F40-I44 VanDerWaalsContact O-N 3.14Å; L41-I44 HydrophobicContact CD2-CD1 4.49Å; I44-W46 VanDerWaalsContact C-N 3.31Å; I44-W46 HydrophobicContact CD1-CB 4.12Å; I44-W46 HydrophobicContact CD1-CD2 4.41Å; I44-W46 HydrophobicContact CD1-CE3 3.86Å; I44-W46 HydrophobicContact CG1-CB 3.84Å; I44-W46 HydrophobicContact CG1-CE3 4.44Å; I44-W46 PolarHBondContact O-N 3.14Å
45R93.6Very high91.7Very high218 Ų21894.4 Ų94.482%0.82350%0.495SS*.THydrogen-bonded Turntrans54.742.8-176.8-56.8177.162.3-174.7-0.9113.1L41 Q42 E43 D47L41-R45 PolarHBondContact O-N 2.84Å; Q42-R45 PolarHBondContact O-N 3.27Å; Q42-R45 VanDerWaalsContact O-N 3.15Å; E43-R45 PolarHBondContact O-N 3.42Å; R45-D47 PolarHBondContact O-N 2.87Å
46W94.8Very high90.8Very high49 Ų4988.7 Ų88.719%0.18648%0.477CS..  trans-67.5125.3-178.2-166.9-94.1000111.8E18 A21 V22 L41 I44 K48 I50E18-W46 HydrophobicContact CB-CH2 4.01Å; E18-W46 HydrophobicContact CB-CZ3 4.26Å; E18-W46 HydrophobicContact CG-CH2 4.31Å; E18-W46 HydrophobicContact CG-CZ3 4.22Å; E18-W46 WeakPolarHBondContact O-CH2 3.35Å; A21-W46 HydrophobicContact CB-CE3 4.23Å; A21-W46 HydrophobicContact CB-CH2 4.48Å; A21-W46 HydrophobicContact CB-CZ3 3.87Å; V22-W46 HydrophobicContact CG2-CH2 3.77Å; V22-W46 HydrophobicContact CG2-CZ2 3.5Å; V22-W46 VanDerWaalsContact CG2-CZ2 3.5Å; L41-W46 HydrophobicContact CB-CB 4.12Å; L41-W46 HydrophobicContact CD2-CB 3.88Å; L41-W46 HydrophobicContact CD2-CG 3.87Å; L41-W46 PolarHBondContact O-N 3.39Å; I44-W46 VanDerWaalsContact C-N 3.31Å; I44-W46 HydrophobicContact CD1-CB 4.12Å; I44-W46 HydrophobicContact CD1-CD2 4.41Å; I44-W46 HydrophobicContact CD1-CE3 3.86Å; I44-W46 HydrophobicContact CG1-CB 3.84Å; I44-W46 HydrophobicContact CG1-CE3 4.44Å; I44-W46 PolarHBondContact O-N 3.14Å; W46-K48 HydrophobicContact CH2-CD 4.35Å; W46-K48 HydrophobicContact CZ2-CB 4.05Å; W46-K48 HydrophobicContact CZ2-CD 4.04Å; W46-K48 PolarHBondContact NE1-O 3.27Å; W46-I50 HydrophobicContact CZ2-CD1 4.41Å; W46-I50 HydrophobicContact CZ2-CG1 4.39Å
47D91.2Very high90.4Very high137 Ų13785.3 Ų85.373%0.73346%0.458SS*.  trans-109.8-16.1-172.965.4-39.9000113.9R45R45-D47 PolarHBondContact O-N 2.87Å
48K89.5Confident90.1Very high89 Ų8990.1 Ų90.139%0.38748%0.479SS..SBendtrans-87.1143.6-176.4-63.4157.3-174.7168.10111.1E18 W46E18-K48 IonicContact OE1-NZ 2.64Å; E18-K48 PolarHBondContact OE1-NZ 2.99Å; E18-K48 IonicContact OE2-NZ 2.73Å; E18-K48 PolarHBondContact OE2-NZ 2.9Å; W46-K48 HydrophobicContact CH2-CD 4.35Å; W46-K48 HydrophobicContact CZ2-CB 4.05Å; W46-K48 HydrophobicContact CZ2-CD 4.04Å; W46-K48 PolarHBondContact NE1-O 3.27Å
49S85.4Confident90.1Very high126 Ų12688.2 Ų88.288%0.88147%0.469SS*.  trans-67.5138.1170.348.10000111
50I85.7Confident89.9Confident34 Ų3489.1 Ų89.117%0.17447%0.466CS..  trans-113.4119.5174.6-58.8172000109.2V22 Y25 L41 W46V22-I50 HydrophobicContact CG1-CG2 3.89Å; V22-I50 HydrophobicContact CG2-CD1 4.25Å; V22-I50 HydrophobicContact CG2-CG1 4.22Å; Y25-I50 HydrophobicContact CD1-CB 3.98Å; Y25-I50 HydrophobicContact CD1-CD1 3.61Å; Y25-I50 HydrophobicContact CD1-CG1 4.41Å; Y25-I50 HydrophobicContact CD1-CG2 3.68Å; Y25-I50 HydrophobicContact CE1-CB 4.02Å; Y25-I50 HydrophobicContact CE1-CD1 4.26Å; Y25-I50 HydrophobicContact CE1-CG2 3.99Å; Y25-I50 HydrophobicContact CG-CD1 3.86Å; L41-I50 HydrophobicContact CD1-CD1 4.27Å; L41-I50 HydrophobicContact CD2-CD1 3.73Å; W46-I50 HydrophobicContact CZ2-CD1 4.41Å; W46-I50 HydrophobicContact CZ2-CG1 4.39Å
51S87.7Confident89.7Confident114 Ų11489.4 Ų89.480%0.79747%0.474SS*.  trans-81.4116.1163.954.50000109.3
52V86.5Confident89.7Confident54 Ų5494.6 Ų94.633%0.32749%0.492SS..  trans-79.7129.7171.4177.80000108.2Y25 E26 V29 H30Y25-V52 HydrophobicContact CD1-CG2 4.22Å; Y25-V52 HydrophobicContact CE1-CG2 3.64Å; E26-V52 HydrophobicContact CG-CG1 4.28Å; V29-V52 HydrophobicContact CB-CG1 4.37Å; V29-V52 HydrophobicContact CB-CG2 4.35Å; V29-V52 HydrophobicContact CG1-CB 4.46Å; V29-V52 HydrophobicContact CG1-CG1 3.73Å; V29-V52 HydrophobicContact CG1-CG2 4.11Å; V29-V52 HydrophobicContact CG2-CG2 4.32Å; H30-V52 WeakPolarHBondContact NE2-CG1 3.48Å
53G83Confident89.7Confident38 Ų3893.4 Ų93.439%0.39248%0.481SS..  trans-80.1-171.6177.100000113.6E26 H30E26-G53 WeakPolarHBondContact OE1-CA 3.47Å; E26-G53 PolarHBondContact OE1-N 3.38Å; H30-G53 PolarHBondContact CE1-O 3.29Å; H30-G53 PolarHBondContact NE2-O 2.75Å
54E85.4Confident89.5Confident166 Ų16688.6 Ų88.678%0.77646%0.464SS*.SBendtrans-67141.8170.6-68.5-61.7138.100111G57E54-G57 PolarHBondContact O-N 3.15Å
55P85.4Confident89.4Confident87 Ų8789.2 Ų89.257%0.56547%0.471SS*.THydrogen-bonded Turntrans-63147.1171.928.4-34.2000110.3
56P77.7Confident89.3Confident70 Ų7082.7 Ų82.746%0.45545%0.449SS..THydrogen-bonded Turncis-87.76.714.535.1-37.3000115.7H60P56-H60 HydrophobicContact CB-CB 4.32Å; P56-H60 VanDerWaalsContact O-CB 3.25Å; P56-H60 WeakPolarHBondContact O-CB 3.25Å
57G87.3Confident89.1Confident8 Ų885.8 Ų85.88%0.08246%0.461CS..Hα-helixtrans78.4165.5-178.800000114.3H30 E54 S61H30-G57 WeakPolarHBondContact CE1-CA 3.45Å; H30-G57 VanDerWaalsContact ND1-CA 3.34Å; H30-G57 WeakPolarHBondContact ND1-CA 3.48Å; H30-G57 PolarHBondContact ND1-N 3.44Å; E54-G57 PolarHBondContact O-N 3.15Å; G57-S61 WeakPolarHBondContact O-CB 3.41Å; G57-S61 PolarHBondContact O-N 3.49Å; G57-S61 PolarHBondContact O-OG 3.44Å
58F91.2Very high89.1Confident101 Ų10181.1 Ų81.144%0.44344%0.436SS..Hα-helixtrans-68.1-45.8-172.9179-96.4000112.3Y23 E26 H60 S61 W62Y23-F58 HydrophobicContact CD1-CB 3.76Å; Y23-F58 AromaticContact CD1-CD1 3.64Å; Y23-F58 HydrophobicContact CD1-CD1 3.64Å; Y23-F58 HydrophobicContact CD1-CG 4.01Å; Y23-F58 AromaticContact CD2-CD1 3.8Å; Y23-F58 HydrophobicContact CD2-CD1 3.8Å; Y23-F58 HydrophobicContact CD2-CE1 4.12Å; Y23-F58 HydrophobicContact CE1-CB 3.73Å; Y23-F58 AromaticContact CE1-CD1 3.48Å; Y23-F58 HydrophobicContact CE1-CD1 3.48Å; Y23-F58 VanDerWaalsContact CE1-CD1 3.48Å; Y23-F58 HydrophobicContact CE1-CE1 4.28Å; Y23-F58 AromaticContact CE1-CG 3.68Å; Y23-F58 HydrophobicContact CE1-CG 3.68Å; Y23-F58 AromaticContact CE2-CD1 3.65Å; Y23-F58 HydrophobicContact CE2-CD1 3.65Å; Y23-F58 AromaticContact CE2-CE1 3.72Å; Y23-F58 HydrophobicContact CE2-CE1 3.72Å; Y23-F58 AromaticContact CG-CD1 3.81Å; Y23-F58 HydrophobicContact CG-CD1 3.81Å; Y23-F58 AromaticContact CZ-CD1 3.49Å; Y23-F58 VanDerWaalsContact CZ-CD1 3.49Å; Y23-F58 AromaticContact CZ-CE1 3.81Å; E26-F58 PolarHBondContact OE2-N 3.25Å; F58-H60 PolarHBondContact O-N 2.99Å; F58-S61 PolarHBondContact O-N 3.23Å; F58-W62 HydrophobicContact CE1-CB 4.44Å; F58-W62 HydrophobicContact CZ-CB 4.45Å; F58-W62 WeakPolarHBondContact O-CB 3.42Å; F58-W62 PolarHBondContact O-N 2.94Å
59L94.2Very high89.1Confident39 Ų3979.5 Ų79.520%0.20443%0.431CS..Hα-helixtrans-61.7-44.8-174.8-164.562.9000111.9L20 V24 Y27 W63L20-L59 HydrophobicContact CD1-CD1 4.41Å; V24-L59 HydrophobicContact CG2-CD2 3.95Å; Y27-L59 HydrophobicContact CG-CD2 4.29Å; L59-W63 WeakPolarHBondContact O-CB 3.43Å; L59-W63 PolarHBondContact O-N 3.42Å
60H92.4Very high89.2Confident81 Ų8176.4 Ų76.438%0.37540%0.401SS..Hα-helixtrans-66.3-48.3-179.9-169.283.2000110.9Y27 P56 F58 W62 W63 S64Y27-H60 HydrophobicContact CD2-CB 4.21Å; Y27-H60 HydrophobicContact CE2-CB 4.42Å; Y27-H60 AromaticContact CE2-ND1 3.79Å; P56-H60 HydrophobicContact CB-CB 4.32Å; P56-H60 VanDerWaalsContact O-CB 3.25Å; P56-H60 WeakPolarHBondContact O-CB 3.25Å; F58-H60 PolarHBondContact O-N 2.99Å; H60-W62 PolarHBondContact O-N 3.31Å; H60-W63 PolarHBondContact O-N 3.47Å; H60-S64 WeakPolarHBondContact O-CB 3.28Å; H60-S64 PolarHBondContact O-N 2.8Å; H60-S64 PolarHBondContact O-OG 2.97Å
61S91.7Very high89.3Confident54 Ų5474.8 Ų74.838%0.37839%0.392SS..Hα-helixtrans-56.5-48.3178.9-54.40000112.1G57 F58 V65G57-S61 WeakPolarHBondContact O-CB 3.41Å; G57-S61 PolarHBondContact O-N 3.49Å; G57-S61 PolarHBondContact O-OG 3.44Å; F58-S61 PolarHBondContact O-N 3.23Å; S61-V65 PolarHBondContact O-N 3.13Å
62W94.7Very high89Confident138 Ų13869.4 Ų69.452%0.52335%0.354SS..Hα-helixtrans-69.6-40.5179.6-175.883.9000112.1F58 H60 V65 F66F58-W62 HydrophobicContact CE1-CB 4.44Å; F58-W62 HydrophobicContact CZ-CB 4.45Å; F58-W62 WeakPolarHBondContact O-CB 3.42Å; F58-W62 PolarHBondContact O-N 2.94Å; H60-W62 PolarHBondContact O-N 3.31Å; W62-V65 PolarHBondContact O-N 3.13Å; W62-F66 HydrophobicContact CE3-CB 4.45Å; W62-F66 HydrophobicContact CH2-CB 4.31Å; W62-F66 HydrophobicContact CH2-CD2 4.21Å; W62-F66 HydrophobicContact CH2-CG 4.25Å; W62-F66 HydrophobicContact CZ3-CB 4.25Å; W62-F66 HydrophobicContact CZ3-CG 4.4Å; W62-F66 WeakPolarHBondContact O-CB 3.23Å; W62-F66 PolarHBondContact O-N 3.38Å
63W95.2Very high88.8Confident128 Ų12867.7 Ų67.749%0.48535%0.346SS..Hα-helixtrans-64-38.9176.5-178-102.7000112.4L59 H60 F66 W67L59-W63 WeakPolarHBondContact O-CB 3.43Å; L59-W63 PolarHBondContact O-N 3.42Å; H60-W63 PolarHBondContact O-N 3.47Å; W63-F66 AromaticContact CE3-CD1 3.79Å; W63-F66 HydrophobicContact CE3-CD1 3.79Å; W63-F66 HydrophobicContact CE3-CE1 4.43Å; W63-F66 HydrophobicContact CH2-CD1 4.07Å; W63-F66 AromaticContact CH2-CE1 3.99Å; W63-F66 HydrophobicContact CH2-CE1 3.99Å; W63-F66 AromaticContact CZ3-CD1 3.54Å; W63-F66 HydrophobicContact CZ3-CD1 3.54Å; W63-F66 AromaticContact CZ3-CE1 3.72Å; W63-F66 HydrophobicContact CZ3-CE1 3.72Å; W63-F66 PolarHBondContact O-N 3.43Å; W63-W67 AromaticContact CZ2-CE3 3.98Å; W63-W67 HydrophobicContact CZ2-CE3 3.98Å; W63-W67 VanDerWaalsContact O-CB 3.23Å; W63-W67 WeakPolarHBondContact O-CB 3.31Å; W63-W67 PolarHBondContact O-N 3.34Å
64S92.2Very high88.2Confident55 Ų5569.7 Ų69.739%0.38535%0.352SS..Hα-helixtrans-59.9-46.1175-63.50000111.7H60 W67 D68H60-S64 WeakPolarHBondContact O-CB 3.28Å; H60-S64 PolarHBondContact O-N 2.8Å; H60-S64 PolarHBondContact O-OG 2.97Å; S64-W67 PolarHBondContact O-N 3.08Å; S64-D68 VanDerWaalsContact O-CB 3.28Å; S64-D68 WeakPolarHBondContact O-CB 3.37Å; S64-D68 PolarHBondContact O-N 3.02Å
65V91.6Very high87.6Confident87 Ų8769 Ų6953%0.52735%0.349SS..Hα-helixtrans-66.5-42.6176.6175.70000111.5S61 W62 D68 L69S61-V65 PolarHBondContact O-N 3.13Å; W62-V65 PolarHBondContact O-N 3.13Å; V65-D68 PolarHBondContact O-N 2.54Å; V65-L69 HydrophobicContact CG1-CD1 3.94Å; V65-L69 WeakPolarHBondContact O-CB 3.15Å; V65-L69 WeakPolarHBondContact O-CG 3.28Å; V65-L69 PolarHBondContact O-N 3.28Å
66F92.8Very high86.9Confident81 Ų8167.3 Ų67.336%0.35533%0.332SS..Hα-helixtrans-61.2-45.3176.1172.6-96.6000111.8W62 W63 L69 Y70W62-F66 HydrophobicContact CE3-CB 4.45Å; W62-F66 HydrophobicContact CH2-CB 4.31Å; W62-F66 HydrophobicContact CH2-CD2 4.21Å; W62-F66 HydrophobicContact CH2-CG 4.25Å; W62-F66 HydrophobicContact CZ3-CB 4.25Å; W62-F66 HydrophobicContact CZ3-CG 4.4Å; W62-F66 WeakPolarHBondContact O-CB 3.23Å; W62-F66 PolarHBondContact O-N 3.38Å; W63-F66 AromaticContact CE3-CD1 3.79Å; W63-F66 HydrophobicContact CE3-CD1 3.79Å; W63-F66 HydrophobicContact CE3-CE1 4.43Å; W63-F66 HydrophobicContact CH2-CD1 4.07Å; W63-F66 AromaticContact CH2-CE1 3.99Å; W63-F66 HydrophobicContact CH2-CE1 3.99Å; W63-F66 AromaticContact CZ3-CD1 3.54Å; W63-F66 HydrophobicContact CZ3-CD1 3.54Å; W63-F66 AromaticContact CZ3-CE1 3.72Å; W63-F66 HydrophobicContact CZ3-CE1 3.72Å; W63-F66 PolarHBondContact O-N 3.43Å; F66-L69 PolarHBondContact O-N 3.45Å; F66-Y70 WeakPolarHBondContact O-CB 3.47Å; F66-Y70 PolarHBondContact O-N 3.47Å
67W90.8Very high86.4Confident114 Ų11466.9 Ų66.943%0.43232%0.321SS..Hα-helixtrans-64.6-45.8179.2-174.7-102.1000111.4W63 S64 L69 Y70 S71W63-W67 AromaticContact CZ2-CE3 3.98Å; W63-W67 HydrophobicContact CZ2-CE3 3.98Å; W63-W67 VanDerWaalsContact O-CB 3.23Å; W63-W67 WeakPolarHBondContact O-CB 3.31Å; W63-W67 PolarHBondContact O-N 3.34Å; S64-W67 PolarHBondContact O-N 3.08Å; W67-L69 PolarHBondContact O-N 2.76Å; W67-Y70 AromaticContact CE3-CD1 3.94Å; W67-Y70 HydrophobicContact CE3-CD1 3.94Å; W67-Y70 HydrophobicContact CE3-CE1 4.38Å; W67-Y70 HydrophobicContact CH2-CD1 4.45Å; W67-Y70 HydrophobicContact CH2-CE1 4.29Å; W67-Y70 AromaticContact CZ3-CD1 3.82Å; W67-Y70 HydrophobicContact CZ3-CD1 3.82Å; W67-Y70 AromaticContact CZ3-CE1 3.8Å; W67-Y70 HydrophobicContact CZ3-CE1 3.8Å; W67-Y70 PolarHBondContact O-N 2.79Å; W67-S71 VanDerWaalsContact O-CB 3.28Å; W67-S71 WeakPolarHBondContact O-CB 3.42Å; W67-S71 PolarHBondContact O-N 2.94Å; W67-S71 PolarHBondContact O-OG 2.89Å
68D89.8Confident85.3Confident39 Ų3974 Ų7421%0.20936%0.357CS..Hα-helixtrans-59.5-45.4177.1-168.733.9000111.8S64 V65 A72 H82 S83 A86S64-D68 VanDerWaalsContact O-CB 3.28Å; S64-D68 WeakPolarHBondContact O-CB 3.37Å; S64-D68 PolarHBondContact O-N 3.02Å; V65-D68 PolarHBondContact O-N 2.54Å; D68-A72 WeakPolarHBondContact O-CB 3.35Å; D68-A72 PolarHBondContact O-N 3.35Å; D68-H82 VanDerWaalsContact OD1-CA 3.25Å; D68-H82 WeakPolarHBondContact OD1-CA 3.38Å; D68-H82 WeakPolarHBondContact OD1-CB 3.48Å; D68-S83 PolarHBondContact OD1-N 3.01Å; D68-S83 WeakPolarHBondContact OD2-CB 3.28Å; D68-S83 PolarHBondContact OD2-OG 3.37Å; D68-A86 HydrophobicContact CB-CB 4.23Å; D68-A86 VanDerWaalsContact CG-CB 3.47Å; D68-A86 VanDerWaalsContact OD2-CB 3.28Å; D68-A86 WeakPolarHBondContact OD2-CB 3.16Å
69L90.4Very high84.1Confident56 Ų5674 Ų7429%0.29337%0.365SS..Hα-helixtrans-65.2-43.9173.2-72.8169.4000113V65 F66 W67 A72 A73 A86 F89 H90V65-L69 HydrophobicContact CG1-CD1 3.94Å; V65-L69 WeakPolarHBondContact O-CB 3.15Å; V65-L69 WeakPolarHBondContact O-CG 3.28Å; V65-L69 PolarHBondContact O-N 3.28Å; F66-L69 PolarHBondContact O-N 3.45Å; W67-L69 PolarHBondContact O-N 2.76Å; L69-A72 CarbonylContact O-C 3.55Å; L69-A72 PolarHBondContact O-N 3.34Å; L69-A73 PolarHBondContact O-N 3.49Å; L69-A86 HydrophobicContact CD2-CB 4.04Å; L69-A86 HydrophobicContact CG-CB 4.44Å; L69-F89 HydrophobicContact CD2-CB 3.74Å; L69-F89 HydrophobicContact CD2-CD2 4.35Å; L69-F89 HydrophobicContact CD2-CG 4.24Å; L69-H90 PolarHBondContact O-NE2 2.95Å
70Y87.9Confident83Confident61 Ų6176.2 Ų76.224%0.23937%0.374CS..Hα-helixtrans-63.7-43.8-179.2170.2-112.9000111.6F66 W67 A73 R76F66-Y70 WeakPolarHBondContact O-CB 3.47Å; F66-Y70 PolarHBondContact O-N 3.47Å; W67-Y70 AromaticContact CE3-CD1 3.94Å; W67-Y70 HydrophobicContact CE3-CD1 3.94Å; W67-Y70 HydrophobicContact CE3-CE1 4.38Å; W67-Y70 HydrophobicContact CH2-CD1 4.45Å; W67-Y70 HydrophobicContact CH2-CE1 4.29Å; W67-Y70 AromaticContact CZ3-CD1 3.82Å; W67-Y70 HydrophobicContact CZ3-CD1 3.82Å; W67-Y70 AromaticContact CZ3-CE1 3.8Å; W67-Y70 HydrophobicContact CZ3-CE1 3.8Å; W67-Y70 PolarHBondContact O-N 2.79Å; Y70-A73 WeakPolarHBondContact O-CB 3.34Å; Y70-A73 PolarHBondContact O-N 3.35Å; Y70-R76 VanDerWaalsContact CZ-NH1 3.27Å; Y70-R76 WeakPolarHBondContact O-CD 3.39Å; Y70-R76 PolarHBondContact OH-NH1 3.44Å; Y70-R76 PolarHBondContact OH-NH2 3.05Å
71S86.9Confident82Confident0 Ų081.4 Ų81.40%040%0.399CS..Hα-helixtrans-70.3-39.1177.6-57.60000110.1W67 A73 R76 H82W67-S71 VanDerWaalsContact O-CB 3.28Å; W67-S71 WeakPolarHBondContact O-CB 3.42Å; W67-S71 PolarHBondContact O-N 2.94Å; W67-S71 PolarHBondContact O-OG 2.89Å; S71-A73 PolarHBondContact O-N 3.04Å; S71-A73 VanDerWaalsContact O-N 3.07Å; S71-R76 CarbonylContact O-C 3.49Å; S71-R76 WeakPolarHBondContact O-CB 3.42Å; S71-H82 VanDerWaalsContact C-NE2 3.28Å; S71-H82 WeakPolarHBondContact CB-CE1 3.16Å; S71-H82 WeakPolarHBondContact CB-ND1 3.17Å; S71-H82 PolarHBondContact O-CE1 3.2Å; S71-H82 PolarHBondContact O-NE2 3.48Å
72A82.7Confident81.4Confident0 Ų081.4 Ų81.40%039%0.393CS..THydrogen-bonded Turntrans-69.84.1172.500000115.8D68 L69 R77 H82 A86 H90D68-A72 WeakPolarHBondContact O-CB 3.35Å; D68-A72 PolarHBondContact O-N 3.35Å; L69-A72 CarbonylContact O-C 3.55Å; L69-A72 PolarHBondContact O-N 3.34Å; A72-R77 PolarHBondContact O-NE 2.96Å; A72-R77 PolarHBondContact O-NH2 2.96Å; A72-H82 WeakPolarHBondContact CA-CD2 3.35Å; A72-H82 HydrophobicContact CB-CB 3.98Å; A72-H82 PolarHBondContact N-ND1 3.02Å; A72-A86 HydrophobicContact CB-CB 3.7Å; A72-H90 PolarHBondContact O-CD2 3.42Å
73A81.3Confident80.7Confident19 Ų1977 Ų7716%0.15738%0.383CS..SBendtrans-63.4139.9170.700000110.4L69 Y70 S71 E75 R76 R77L69-A73 PolarHBondContact O-N 3.49Å; Y70-A73 WeakPolarHBondContact O-CB 3.34Å; Y70-A73 PolarHBondContact O-N 3.35Å; S71-A73 PolarHBondContact O-N 3.04Å; S71-A73 VanDerWaalsContact O-N 3.07Å; A73-E75 PolarHBondContact O-N 2.89Å; A73-R76 PolarHBondContact O-N 3.3Å; A73-R77 PolarHBondContact O-N 3.43Å
74P71.2Confident79.8Confident79 Ų7975.8 Ų75.851%0.51339%0.394SS..THydrogen-bonded Turntrans-51.7-27.5-173.6-3136.3000116.6R76P74-R76 VanDerWaalsContact C-N 3.32Å; P74-R76 PolarHBondContact O-N 2.92Å
75E72.6Confident79.3Confident153 Ų15379.6 Ų79.672%0.71541%0.406SS*.THydrogen-bonded Turntrans-71.6-18.8177.5-174.6-175.9-143.100114.2A73A73-E75 PolarHBondContact O-N 2.89Å
76R70.2Confident78.8Confident51 Ų5175.6 Ų75.619%0.19238%0.382CS..THydrogen-bonded Turntrans-125.3-4.3-162.7-68.6165.4-172-95.80.2115Y70 S71 A73 P74 D78 T79Y70-R76 VanDerWaalsContact CZ-NH1 3.27Å; Y70-R76 WeakPolarHBondContact O-CD 3.39Å; Y70-R76 PolarHBondContact OH-NH1 3.44Å; Y70-R76 PolarHBondContact OH-NH2 3.05Å; S71-R76 CarbonylContact O-C 3.49Å; S71-R76 WeakPolarHBondContact O-CB 3.42Å; A73-R76 PolarHBondContact O-N 3.3Å; P74-R76 VanDerWaalsContact C-N 3.32Å; P74-R76 PolarHBondContact O-N 2.92Å; R76-D78 PolarHBondContact O-N 2.85Å; R76-T79 PolarHBondContact O-N 2.73Å; R76-T79 VanDerWaalsContact O-N 3.17Å; R76-T79 PolarHBondContact O-OG1 3.23Å
77R67.2Low78.1Confident60 Ų6076.4 Ų76.423%0.22639%0.385CS..THydrogen-bonded Turntrans-62.2-23.8-174.7-71.9167.8-177.5-170-9.1114.7A72 A73 H82 D91A72-R77 PolarHBondContact O-NE 2.96Å; A72-R77 PolarHBondContact O-NH2 2.96Å; A73-R77 PolarHBondContact O-N 3.43Å; R77-H82 WeakPolarHBondContact CA-NE2 3.33Å; R77-D91 IonicContact CZ-OD1 3.16Å; R77-D91 IonicContact NH1-OD1 2.71Å; R77-D91 PolarHBondContact NH1-OD1 3.29Å; R77-D91 IonicContact NH1-OD2 3.84Å; R77-D91 IonicContact NH2-OD1 2.75Å; R77-D91 PolarHBondContact NH2-OD1 3.45Å
78D63.3Low77.6Confident159 Ų15972.6 Ų72.685%0.8538%0.378SS*.THydrogen-bonded Turntrans-85.7-10.8-178.4-58.7-55.1000113.2R76R76-D78 PolarHBondContact O-N 2.85Å
79T67.7Low77Confident99 Ų9976.6 Ų76.661%0.60739%0.394SS*.THydrogen-bonded Turntrans-116.7-7.9-172.862.50000115.3R76R76-T79 PolarHBondContact O-N 2.73Å; R76-T79 VanDerWaalsContact O-N 3.17Å; R76-T79 PolarHBondContact O-OG1 3.23Å
80H69.5Low76.3Confident86 Ų8676.6 Ų76.640%0.39839%0.392SS..SBendtrans-144.3156.5-171.1-65.3-51.3000110.7H82H80-H82 PolarHBondContact O-CE1 3.01Å; H80-H82 PolarHBondContact O-NE2 3.17Å
81E72.3Confident75.5Confident190 Ų19076.1 Ų76.189%0.88839%0.394SS*.  trans-93.5139.2-179.7-61.2178.6136.400111.5
82H80.1Confident74.5Confident54 Ų5484.1 Ų84.125%0.2543%0.425CS..  trans-139.9161.6-177.1-38-36.7000113D68 S71 A72 R77 H80D68-H82 VanDerWaalsContact OD1-CA 3.25Å; D68-H82 WeakPolarHBondContact OD1-CA 3.38Å; D68-H82 WeakPolarHBondContact OD1-CB 3.48Å; S71-H82 VanDerWaalsContact C-NE2 3.28Å; S71-H82 WeakPolarHBondContact CB-CE1 3.16Å; S71-H82 WeakPolarHBondContact CB-ND1 3.17Å; S71-H82 PolarHBondContact O-CE1 3.2Å; S71-H82 PolarHBondContact O-NE2 3.48Å; A72-H82 WeakPolarHBondContact CA-CD2 3.35Å; A72-H82 HydrophobicContact CB-CB 3.98Å; A72-H82 PolarHBondContact N-ND1 3.02Å; R77-H82 WeakPolarHBondContact CA-NE2 3.33Å; H80-H82 PolarHBondContact O-CE1 3.01Å; H80-H82 PolarHBondContact O-NE2 3.17Å
83S78.6Confident73.5Confident45 Ų4585.8 Ų85.832%0.31544%0.443SS..  trans-70.4151.2163.483.30000112.2D68 E85 A86 K87D68-S83 PolarHBondContact OD1-N 3.01Å; D68-S83 WeakPolarHBondContact OD2-CB 3.28Å; D68-S83 PolarHBondContact OD2-OG 3.37Å; S83-E85 PolarHBondContact O-N 3.21Å; S83-E85 PolarHBondContact OG-N 3.37Å; S83-A86 PolarHBondContact O-N 3.07Å; S83-A86 PolarHBondContact OG-N 3.18Å; S83-K87 PolarHBondContact O-N 2.64Å
84S76.6Confident72.1Confident104 Ų10492.5 Ų92.573%0.72747%0.469SS*.Hα-helixtrans-64.2-24.3170.850.20000112.8A88S84-A88 WeakPolarHBondContact O-CB 3.41Å; S84-A88 PolarHBondContact O-N 2.79Å; S84-A88 VanDerWaalsContact O-N 3.08Å
85E81.8Confident71.1Confident134 Ų13494.1 Ų94.163%0.62648%0.477SS*.Hα-helixtrans-72.1-47177.1-173.9170.3121.400111.1S83 K87 A88 F89S83-E85 PolarHBondContact O-N 3.21Å; S83-E85 PolarHBondContact OG-N 3.37Å; E85-K87 VanDerWaalsContact C-N 3.3Å; E85-K87 PolarHBondContact O-N 3.3Å; E85-A88 WeakPolarHBondContact O-CA 3.13Å; E85-A88 WeakPolarHBondContact O-CB 3.18Å; E85-A88 PolarHBondContact O-N 2.91Å; E85-F89 HydrophobicContact CG-CD2 3.99Å; E85-F89 HydrophobicContact CG-CE2 3.72Å; E85-F89 VanDerWaalsContact O-CD2 3.31Å; E85-F89 WeakPolarHBondContact O-CD2 3.46Å; E85-F89 PolarHBondContact O-N 2.85Å
86A80.9Confident69.9Low3 Ų394 Ų943%0.02548%0.481CS..Hα-helixtrans-61.1-38.4175.400000112.5D68 L69 A72 S83 F89 H90D68-A86 HydrophobicContact CB-CB 4.23Å; D68-A86 VanDerWaalsContact CG-CB 3.47Å; D68-A86 VanDerWaalsContact OD2-CB 3.28Å; D68-A86 WeakPolarHBondContact OD2-CB 3.16Å; L69-A86 HydrophobicContact CD2-CB 4.04Å; L69-A86 HydrophobicContact CG-CB 4.44Å; A72-A86 HydrophobicContact CB-CB 3.7Å; S83-A86 PolarHBondContact O-N 3.07Å; S83-A86 PolarHBondContact OG-N 3.18Å; A86-F89 PolarHBondContact O-N 2.85Å; A86-H90 PolarHBondContact O-CD2 2.92Å; A86-H90 PolarHBondContact O-N 3.46Å
87K78.9Confident68.7Low99 Ų9994.5 Ų94.543%0.4349%0.492SS..Hα-helixtrans-60-45.2170.9-176176-174.5-64.80111.7S83 E85 F89 H90 D91S83-K87 PolarHBondContact O-N 2.64Å; E85-K87 VanDerWaalsContact C-N 3.3Å; E85-K87 PolarHBondContact O-N 3.3Å; K87-F89 VanDerWaalsContact C-N 3.34Å; K87-F89 PolarHBondContact O-N 3.24Å; K87-H90 PolarHBondContact O-N 2.81Å; K87-D91 WeakPolarHBondContact CG-OD2 3.35Å; K87-D91 IonicContact NZ-OD2 2.8Å; K87-D91 PolarHBondContact NZ-OD2 2.74Å; K87-D91 WeakPolarHBondContact O-CB 3.37Å; K87-D91 VanDerWaalsContact O-CG 3.28Å; K87-D91 PolarHBondContact O-N 3.2Å
88A79.5Confident67.4Low34 Ų3495.4 Ų95.428%0.28152%0.521SS..Hα-helixtrans-63.2-35.2177.800000112.9S84 E85 H90 D91 Y92S84-A88 WeakPolarHBondContact O-CB 3.41Å; S84-A88 PolarHBondContact O-N 2.79Å; S84-A88 VanDerWaalsContact O-N 3.08Å; E85-A88 WeakPolarHBondContact O-CA 3.13Å; E85-A88 WeakPolarHBondContact O-CB 3.18Å; E85-A88 PolarHBondContact O-N 2.91Å; A88-H90 PolarHBondContact O-N 3.45Å; A88-D91 PolarHBondContact O-N 3Å; A88-Y92 HydrophobicContact CB-CD2 3.9Å; A88-Y92 HydrophobicContact CB-CE2 4.19Å; A88-Y92 WeakPolarHBondContact O-CB 3.37Å; A88-Y92 WeakPolarHBondContact O-CD2 3.3Å; A88-Y92 PolarHBondContact O-N 3.48Å
89F76.5Confident66.3Low123 Ų12396.3 Ų96.354%0.53951%0.513SS..Hα-helixtrans-62.9-37.7175.2-88.2-73.3000113.3L69 E85 A86 K87 G93L69-F89 HydrophobicContact CD2-CB 3.74Å; L69-F89 HydrophobicContact CD2-CD2 4.35Å; L69-F89 HydrophobicContact CD2-CG 4.24Å; E85-F89 HydrophobicContact CG-CD2 3.99Å; E85-F89 HydrophobicContact CG-CE2 3.72Å; E85-F89 VanDerWaalsContact O-CD2 3.31Å; E85-F89 WeakPolarHBondContact O-CD2 3.46Å; E85-F89 PolarHBondContact O-N 2.85Å; A86-F89 PolarHBondContact O-N 2.85Å; K87-F89 VanDerWaalsContact C-N 3.34Å; K87-F89 PolarHBondContact O-N 3.24Å; F89-G93 WeakPolarHBondContact O-CA 3.23Å; F89-G93 PolarHBondContact O-N 3.41Å
90H76.5Confident65.1Low56 Ų5697.6 Ų97.626%0.25952%0.523SS..Hα-helixtrans-76.9-42.4173.1-76.4-76.6000112.5L69 A72 A86 K87 A88 Y92L69-H90 PolarHBondContact O-NE2 2.95Å; A72-H90 PolarHBondContact O-CD2 3.42Å; A86-H90 PolarHBondContact O-CD2 2.92Å; A86-H90 PolarHBondContact O-N 3.46Å; K87-H90 PolarHBondContact O-N 2.81Å; A88-H90 PolarHBondContact O-N 3.45Å; H90-Y92 PolarHBondContact O-N 3.46Å
91D71.4Confident63.9Low51 Ų51101.4 Ų101.427%0.27355%0.547SS..Hα-helixtrans-72.4-26.3-175.7-71.6-4.2000113.8R77 K87 A88 V95R77-D91 IonicContact CZ-OD1 3.16Å; R77-D91 IonicContact NH1-OD1 2.71Å; R77-D91 PolarHBondContact NH1-OD1 3.29Å; R77-D91 IonicContact NH1-OD2 3.84Å; R77-D91 IonicContact NH2-OD1 2.75Å; R77-D91 PolarHBondContact NH2-OD1 3.45Å; K87-D91 WeakPolarHBondContact CG-OD2 3.35Å; K87-D91 IonicContact NZ-OD2 2.8Å; K87-D91 PolarHBondContact NZ-OD2 2.74Å; K87-D91 WeakPolarHBondContact O-CB 3.37Å; K87-D91 VanDerWaalsContact O-CG 3.28Å; K87-D91 PolarHBondContact O-N 3.2Å; A88-D91 PolarHBondContact O-N 3Å; D91-V95 WeakPolarHBondContact O-CG2 3.09Å
92Y65.4Low62.2Low167 Ų16795.6 Ų95.666%0.65554%0.538SS*.Hα-helixtrans-116.5-30.2179.4-59.2-64000113.7A88 H90 N96A88-Y92 HydrophobicContact CB-CD2 3.9Å; A88-Y92 HydrophobicContact CB-CE2 4.19Å; A88-Y92 WeakPolarHBondContact O-CB 3.37Å; A88-Y92 WeakPolarHBondContact O-CD2 3.3Å; A88-Y92 PolarHBondContact O-N 3.48Å; H90-Y92 PolarHBondContact O-N 3.46Å; Y92-N96 VanDerWaalsContact O-CB 3.3Å; Y92-N96 WeakPolarHBondContact O-CB 3.1Å; Y92-N96 PolarHBondContact O-N 3.5Å; Y92-N96 VanDerWaalsContact O-N 3.08Å
93G61.7Low60.6Low36 Ų36100.2 Ų100.237%0.37156%0.564SS.*Hα-helixtrans-72.6-30.1-171.700000114.8F89 S97F89-G93 WeakPolarHBondContact O-CA 3.23Å; F89-G93 PolarHBondContact O-N 3.41Å; G93-S97 PolarHBondContact O-OG 3.4Å
94F53.1Low59Low160 Ų160103.7 Ų103.770%0.70259%0.585SS**THydrogen-bonded Turntrans-87.8-35.2171.5-100.7-83.4000113.3N96 S97F94-N96 VanDerWaalsContact C-N 3.33Å; F94-N96 PolarHBondContact O-N 3.01Å; F94-S97 PolarHBondContact O-N 3.34Å
95V48.8Very low57.8Low113 Ų113106.5 Ų106.569%0.68559%0.586SS**THydrogen-bonded Turntrans-76.3-15.9-179.1-59.80000114.3D91D91-V95 WeakPolarHBondContact O-CG2 3.09Å
96N47.1Very low55.9Low150 Ų150106.7 Ų106.780%0.80260%0.599SS**THydrogen-bonded Turntrans-94.9-7.9172.3-162.431.9000113.2Y92 F94Y92-N96 VanDerWaalsContact O-CB 3.3Å; Y92-N96 WeakPolarHBondContact O-CB 3.1Å; Y92-N96 PolarHBondContact O-N 3.5Å; Y92-N96 VanDerWaalsContact O-N 3.08Å; F94-N96 VanDerWaalsContact C-N 3.33Å; F94-N96 PolarHBondContact O-N 3.01Å
97S45.1Very low54.1Low61 Ų61109.6 Ų109.643%0.42763%0.629SS.*SBendtrans-91.1114.5164.9-69.20000108G93 F94 Y99G93-S97 PolarHBondContact O-OG 3.4Å; F94-S97 PolarHBondContact O-N 3.34Å; S97-Y99 PolarHBondContact O-N 3.23Å
98G41.1Very low52.8Low80 Ų80112.6 Ų112.683%0.82564%0.644SS**  trans-69.348.4-172.700000116.5
99Y39Very low51Low178 Ų178116.9 Ų116.970%0.69867%0.669SS**  trans-103.1108.6174.5-75.9-81.2000110S97 N101S97-Y99 PolarHBondContact O-N 3.23Å; Y99-N101 VanDerWaalsContact C-N 3.27Å; Y99-N101 PolarHBondContact O-N 2.92Å
100P42.4Very low49.7Very low125 Ų125117.1 Ų117.181%0.81268%0.68SS**  trans-79.969.2-176.934-36.8000111.9G102P100-G102 VanDerWaalsContact C-N 3.26Å; P100-G102 PolarHBondContact O-N 3.5Å; P100-G102 VanDerWaalsContact O-N 3.12Å
101N45.7Very low48.5Very low166 Ų166122 Ų12289%0.88871%0.705SS**  trans-83.877.5164.3-109.646.2000109.4Y99 L103Y99-N101 VanDerWaalsContact C-N 3.27Å; Y99-N101 PolarHBondContact O-N 2.92Å; N101-L103 PolarHBondContact O-N 2.95Å
102G36.3Very low47.2Very low68 Ų68125.5 Ų125.570%0.70173%0.731SS**  trans-71.4118.3-177.200000113.1P100P100-G102 VanDerWaalsContact C-N 3.26Å; P100-G102 PolarHBondContact O-N 3.5Å; P100-G102 VanDerWaalsContact O-N 3.12Å
103L46Very low46.1Very low152 Ų152120.4 Ų120.480%0.79673%0.729SS**  trans-129.1112.1149-81.3172.1000107.6N101 H105N101-L103 PolarHBondContact O-N 2.95Å; L103-H105 PolarHBondContact O-N 3.18Å
104P46.4Very low45.4Very low118 Ų118124.2 Ų124.277%0.76675%0.747SS**  trans-71.3122176.829-32.2000109.1P106P104-P106 VanDerWaalsContact O-CD 3.26Å; P104-P106 WeakPolarHBondContact O-CD 3.49Å
105H49.7Very low44.7Very low163 Ų163121.2 Ų121.276%0.75575%0.752SS**  trans-65117175.4-65.2-33.2000110.6L103 G107L103-H105 PolarHBondContact O-N 3.18Å; H105-G107 PolarHBondContact O-N 3.22Å; H105-G107 VanDerWaalsContact O-N 3.08Å
106P43.3Very low44.6Very low138 Ų138122.5 Ų122.590%0.89676%0.76SS**THydrogen-bonded Turntrans-83.487.2-179.833.6-31.1000109.3P104P104-P106 VanDerWaalsContact O-CD 3.26Å; P104-P106 WeakPolarHBondContact O-CD 3.49Å
107G42.9Very low44.5Very low63 Ų63121.9 Ų121.965%0.64976%0.761SS**THydrogen-bonded Turntrans-171.7-25.2-17900000116.8H105 P109H105-G107 PolarHBondContact O-N 3.22Å; H105-G107 VanDerWaalsContact O-N 3.08Å; G107-P109 WeakPolarHBondContact O-CD 3.26Å
108H52Low44.4Very low162 Ų162125 Ų12575%0.7578%0.783SS**  trans-101.6116.6177.4-75.2-76.1000111.7V110H108-V110 VanDerWaalsContact C-N 3.27Å; H108-V110 PolarHBondContact O-N 3.5Å
109P40.6Very low44.2Very low124 Ų124124.2 Ų124.281%0.80578%0.775SS**  trans-72.286.4168.430.5-32.9000108.9G107 M111G107-P109 WeakPolarHBondContact O-CD 3.26Å; P109-M111 VanDerWaalsContact C-N 3.33Å; P109-M111 PolarHBondContact O-N 3.49Å
110V50.2Low44.5Very low128 Ų128121.7 Ų121.778%0.77678%0.783SS**  trans-70.197.2167.4-178.30000107.6H108H108-V110 VanDerWaalsContact C-N 3.27Å; H108-V110 PolarHBondContact O-N 3.5Å
111M50.4Low44.3Very low158 Ų158119.8 Ų119.878%0.77879%0.786SS**  trans-38.7118.9174-96.5-89.3-77.600112.9P109 G113P109-M111 VanDerWaalsContact C-N 3.33Å; P109-M111 PolarHBondContact O-N 3.49Å; M111-G113 VanDerWaalsContact C-N 3.31Å; M111-G113 PolarHBondContact O-N 2.9Å
112P44.6Very low44Very low126 Ų126115.3 Ų115.382%0.81878%0.78SS**  trans-78.183167.131.8-32.2000109.5
113G41.1Very low44.5Very low59 Ų59116.6 Ų116.661%0.60878%0.783SS**  trans-105.3133.6178.600000113.1M111M111-G113 VanDerWaalsContact C-N 3.31Å; M111-G113 PolarHBondContact O-N 2.9Å
114P47.1Very low44.8Very low117 Ų117115.8 Ų115.876%0.7679%0.785SS**  cis-117.5145.2-23.636.2-23.1000112.4V116P114-V116 PolarHBondContact O-N 2.94Å
115A39.7Very low44.5Very low97 Ų97116.7 Ų116.780%0.80279%0.791SS**  trans-68.5116.5164.500000109.9V117A115-V117 PolarHBondContact O-N 3.5Å
116V45.7Very low44.3Very low140 Ų140112 Ų11285%0.84879%0.787SS**  trans-76.8106.9167.8-76.10000109.6P114P114-V116 PolarHBondContact O-N 2.94Å
117V46.2Very low44.7Very low136 Ų136114.2 Ų114.282%0.82479%0.788SS**  trans-81.6113.6173.953.60000110.3A115A115-V117 PolarHBondContact O-N 3.5Å
118S41.4Very low45Very low126 Ų126116.7 Ų116.788%0.88179%0.792SS**  trans178.2129.9159.3-79.20000108.1
119G38.3Very low45Very low64 Ų64114.4 Ų114.466%0.6679%0.792SS**  cis-173.2149-8.100000110.1
120S44.8Very low45.4Very low125 Ų125114.6 Ų114.687%0.87479%0.793SS**  trans22109.9157.257.70000121
121G38.5Very low45.2Very low85 Ų85117.2 Ų117.288%0.87680%0.802SS**  trans76.3150.1150.700000117.1
122G39.8Very low44.9Very low73 Ų73113.1 Ų113.175%0.75380%0.8SS**  cis173.3131.3-6.400000111.5
123A47Very low45.4Very low94 Ų94113 Ų11378%0.77780%0.8SS**  trans64.2135.9159.400000121.2
124T52.5Low45.8Very low136 Ų136116.4 Ų116.483%0.83481%0.811SS**  trans78.5127.3156.673.30000121.2
125P40.1Very low45.9Very low136 Ų136114.3 Ų114.388%0.88381%0.81SS**  trans-98139.6169.736.4-30.3000112.1
126G44.8Very low46.6Very low66 Ų66115.9 Ų115.968%0.6881%0.812SS**  trans173.3107.817100000116.8
127M50.6Low46.8Very low183 Ų183116.4 Ų116.490%0.90181%0.81SS**  trans67.8128.7152.9-53.5-57.5153.400120.4
128P50Low46.7Very low115 Ų115114.4 Ų114.475%0.74780%0.8SS**  trans-99.6-173.5165.441.2-34.9000111.5
129P52.6Low46.9Very low114 Ų114114.3 Ų114.374%0.7479%0.794SS**  cis-116.2-175.4-44.338.8-24.9000110.1
130P49.4Very low46.9Very low128 Ų128119 Ų11983%0.83180%0.803SS**  -153-177.89238.9-18.4000115.9
131L45Very low46.8Very low183 Ų183120 Ų12096%0.95880%0.804SS**  trans-71.7141.6-172-61.3154000115
132G44.5Very low47Very low72 Ų72126.8 Ų126.874%0.74280%0.804SS**  trans171.2116.3165.400000115.1
133P55.6Low47.3Very low125 Ų125131 Ų13181%0.81280%0.804SS**  trans-91.5-175.2172.340.6-36.3000111
134P47.7Very low46.9Very low130 Ų130137.5 Ų137.584%0.84481%0.808SS**  cis-138.7-177.67.443.8-25.9000116.1
135G49.4Very low46.5Very low72 Ų72135.9 Ų135.974%0.74280%0.8SS**  trans140.4145.615800000115.3
136P54.3Low46.6Very low130 Ų130134.4 Ų134.484%0.84479%0.793SS**  trans-115.3168-156.641.2-32.1000118.1
137D50.9Low46.4Very low152 Ų152134.9 Ų134.981%0.81380%0.797SS**  trans86.1151.1159.4-143.438.5000118
138P43.5Very low46.1Very low94 Ų94135.1 Ų135.161%0.6180%0.796SS**  cis-120.3-176.2-22.313.610.7000114.1
139T46.2Very low45.8Very low124 Ų124134.6 Ų134.676%0.76179%0.793SS**  trans100.4115156.772.50000120.5
140L38.9Very low45.4Very low161 Ų161136.2 Ų136.284%0.84380%0.795SS**  trans58.984.8142.2-59.5172.5000119.7
141T42.4Very low45.5Very low146 Ų146137.8 Ų137.890%0.89679%0.793SS**  -167.276.7125.415.80000110.7Q143T141-Q143 PolarHBondContact O-N 2.98Å; T141-Q143 VanDerWaalsContact O-N 3.11Å
142R41.7Very low45.4Very low229 Ų229134.9 Ų134.986%0.86479%0.785SS**  trans-78.9101.4175.6-164.7176-167.4-92.35.3111.1
143Q46.8Very low45.2Very low161 Ų161135.3 Ų135.375%0.75279%0.789SS**  trans-2128.1148.3-63.4171.1-14.600117.5T141T141-Q143 PolarHBondContact O-N 2.98Å; T141-Q143 VanDerWaalsContact O-N 3.11Å
144R38.2Very low44.3Very low230 Ų230133.3 Ų133.387%0.86879%0.791SS**  trans-38.3134.1146.7156.6179.7173.6-179-0110.8
145P43.4Very low43.9Very low102 Ų102130.2 Ų130.266%0.66278%0.783SS**  -144156.8107.831.2-12.3000116.5
146S42.9Very low43.8Very low106 Ų106134.4 Ų134.474%0.74179%0.788SS**  trans-47.5146.5163.943.90000115.9
147G41.4Very low43.2Very low75 Ų75136.7 Ų136.777%0.77379%0.787SS**  trans146.5117.3159.100000114.3
148Q43.3Very low42.7Very low188 Ų188136.8 Ų136.888%0.87979%0.788SS**  trans-77.2-179.4157.3-54-172.2-38.400109.2
149P43.9Very low42.7Very low105 Ų105136.5 Ų136.568%0.68279%0.793SS**  cis-135.9-162.8-0.827.8-1.7000114
150L44.3Very low42.4Very low147 Ų147133.8 Ų133.877%0.7779%0.79SS**  trans9899.4152.3-61.3161.8000120.5
151M51.9Low42.5Very low162 Ų162132.9 Ų132.980%0.79879%0.793SS**  81.6154.4123.1-68.9-59.397.800120.6
152P42Very low42.4Very low121 Ų121129.1 Ų129.179%0.78678%0.784SS**  trans-129.9175.4-132.344.3-30.4000116.5
153G40.3Very low42.6Very low81 Ų81125.7 Ų125.784%0.83578%0.782SS**  trans126.9143.6175.300000110.3
154G36.8Very low42.4Very low83 Ų83127.4 Ų127.486%0.85679%0.79SS**  cis174.6152.4-2.400000108.5
155G40.2Very low42.5Very low65 Ų65119.2 Ų119.267%0.6778%0.777SS**  trans127115.7-171.900000110.3
156L46.4Very low42.7Very low161 Ų161120.4 Ų120.484%0.84379%0.785SS**  51.8117.173.9-53.3176.7000109.4
157Q41.3Very low42.8Very low178 Ų178120.4 Ų120.483%0.83279%0.785SS**  cis-159.8164.724.450.8-1050.400106.4
158N40.9Very low43.2Very low154 Ų154125.7 Ų125.782%0.82479%0.789SS**  cis-170.4156.644.6-178.429.4000109.2
159A43Very low43.4Very low88 Ų88124.5 Ų124.573%0.72778%0.783SS**  trans-76155.2169.300000110.3
160G41.1Very low43.7Very low67 Ų67125.8 Ų125.869%0.69179%0.791SS**  179.4-174.151.900000111.6
161P41.1Very low43.6Very low141 Ų141123.6 Ų123.692%0.91679%0.788SS**  trans-100150.8-145.236.3-35.7000115.8
162G40.2Very low43.5Very low67 Ų67122.8 Ų122.869%0.69179%0.792SS**  trans-157.5107.8173.100000114.8
163L45.2Very low43.6Very low157 Ų157127.3 Ų127.382%0.82279%0.794SS**  trans60.2139.1144.3-51.9176.1000121
164Q42.7Very low43.6Very low197 Ų197132.9 Ų132.992%0.92180%0.795SS**  trans71.8134.4168.1-52.7158.284.600115
165G40Very low44.1Very low58 Ų58135.6 Ų135.660%0.59879%0.785SS**  cis-172.9166.2-6.900000108.8S167G165-S167 PolarHBondContact O-N 2.71Å
166P47.3Very low44.2Very low127 Ų127140.9 Ų140.983%0.82579%0.792SS**PPolyproline II helixtrans-72.1125.2-170.8-18.132.1000113.8H168P166-H168 PolarHBondContact O-N 2.75Å
167S46Very low43.9Very low106 Ų106139.7 Ų139.774%0.74180%0.795SS**PPolyproline II helixtrans-72.4116.8171.7-56.20000111.2G165 H169G165-S167 PolarHBondContact O-N 2.71Å; S167-H169 PolarHBondContact O-N 3.47Å
168H49.1Very low43.8Very low187 Ų187136.2 Ų136.287%0.86679%0.79SS**PPolyproline II helixtrans-71.3120.1175-78.2100.9000111.7P166P166-H168 PolarHBondContact O-N 2.75Å
169H47.9Very low43.7Very low163 Ų163133.8 Ų133.876%0.75579%0.791SS**PPolyproline II helixtrans-99.8121.1161.6-72.3-107.1000109.2S167 S171S167-H169 PolarHBondContact O-N 3.47Å; H169-S171 VanDerWaalsContact C-N 3.3Å; H169-S171 PolarHBondContact O-N 2.9Å
170P51Low43.5Very low131 Ų131133.6 Ų133.685%0.85180%0.798SS**  trans-80.678170.832.8-33000110.5
171S41.5Very low43.2Very low102 Ų102133.5 Ų133.571%0.71380%0.797SS**  trans-95.5103.5159.4-83.30000108.7H169 R173H169-S171 VanDerWaalsContact C-N 3.3Å; H169-S171 PolarHBondContact O-N 2.9Å; S171-R173 VanDerWaalsContact C-N 3.29Å; S171-R173 PolarHBondContact O-N 3.25Å
172V49.6Very low43.2Very low145 Ų145137.8 Ų137.888%0.87980%0.796SS**  trans-70.384.2174.5-780000111.2
173R43.8Very low43.3Very low216 Ų216140.2 Ų140.282%0.81580%0.8SS**  trans-137.682.2160.5-78.1-152-162.4-174.39.3109.8S171 H175S171-R173 VanDerWaalsContact C-N 3.29Å; S171-R173 PolarHBondContact O-N 3.25Å; R173-H175 PolarHBondContact O-CE1 3.43Å; R173-H175 PolarHBondContact O-ND1 3.08Å
174F41.2Very low43Very low198 Ų198136.3 Ų136.387%0.86880%0.798SS**  trans-147.7134.8166.5-108.3-92.8000111.6
175H45.5Very low43.1Very low140 Ų140133.9 Ų133.965%0.64880%0.796SS**  cis-163153.2-31.5-115.488000105.2R173R173-H175 PolarHBondContact O-CE1 3.43Å; R173-H175 PolarHBondContact O-ND1 3.08Å
176Q44.1Very low43.1Very low175 Ų175137 Ų13782%0.81881%0.806SS**  trans-67.3142.9165-77.9-172.5-1300110.2S178Q176-S178 PolarHBondContact O-N 3.49Å
177P40.2Very low42.9Very low137 Ų137138 Ų13889%0.8981%0.81SS**  trans-76.7105.8171.330.9-31.6000109.6
178S37.9Very low42.7Very low105 Ų105135.8 Ų135.873%0.73480%0.803SS**  trans-132.2120.7172.2-167.10000111.8Q176Q176-S178 PolarHBondContact O-N 3.49Å
179A39.6Very low42.2Very low102 Ų102133.4 Ų133.484%0.84381%0.808SS**  trans22.8119.8156.500000120.7
180G38.7Very low41.9Very low84 Ų84128.9 Ų128.987%0.86681%0.805SS**  trans128.8125.3161.200000112.3
181G34.3Very low41.6Very low66 Ų66131.2 Ų131.268%0.6881%0.807SS**  cis146.390.80.700000110.5
182Y40.7Very low41.9Very low230 Ų230133.9 Ų133.990%0.90281%0.811SS**  trans-151.1157.8179.1-88-61.7000110.1
183P41.9Very low42Very low119 Ų119132.2 Ų132.277%0.77380%0.804SS**  -124.1152.4-112.839.5-28.8000116.3
184G38.7Very low42.2Very low75 Ų75126.9 Ų126.977%0.77380%0.797SS**  trans79.6103.913300000119.6
185V45.9Very low42.4Very low146 Ų146126 Ų12689%0.88580%0.795SS**  trans-134.2134.1138.4-79.30000109
186P39.6Very low42.1Very low122 Ų122123.7 Ų123.779%0.79280%0.8SS**  trans-102.7146.5-17137.6-33.5000114
187V43.6Very low41.8Very low150 Ų150122.5 Ų122.591%0.90980%0.799SS**  trans-176.9136.5146142.80000105.5
188G40.8Very low41.8Very low59 Ų59124.3 Ų124.361%0.60880%0.801SS**  cis138.699.81.100000110.5
189S39.8Very low41.9Very low137 Ų137126.9 Ų126.996%0.95881%0.805SS**  trans71.1139.2176.7-44.30000115.9
190G41.4Very low42.1Very low68 Ų68127.5 Ų127.570%0.70180%0.801SS**  cis171.7163.3-9.300000113.1
191M44.3Very low42.3Very low179 Ų179129.8 Ų129.888%0.88280%0.798SS**  trans74.284.4151.7-38.5-149.185.100120.4
192I49Very low42.7Very low159 Ų159132 Ų13282%0.81580%0.802SS**  44.6130.8116.7-57.7175.5000120
193P50.4Low42.7Very low110 Ų110124.9 Ų124.971%0.71480%0.799SS**  trans-92.1-173.9-179.744.4-41.1000112.6
194P49.1Very low42.8Very low103 Ų103124.3 Ų124.367%0.66980%0.795SS**  -165.4-178.882.946.3-24.6000119.8
195H44.1Very low43.3Very low181 Ų181126.5 Ų126.584%0.83880%0.796SS**  trans66.9125.1144.8-71.5-51.7000125.7
196A40.1Very low43.4Very low91 Ų91127.5 Ų127.575%0.75279%0.79SS**  84.8121126.800000123.1
197N37.3Very low44.2Very low150 Ų150127.6 Ų127.680%0.80279%0.791SS**  trans12.8132.2144.2-65.9-26.5000120.3
198L40Very low44.3Very low175 Ų175127.7 Ų127.792%0.91678%0.784SS**  178.6143.1104.3-89.7164.5000111.7
199L41.2Very low44.5Very low159 Ų159133.6 Ų133.683%0.83280%0.795SS**  trans-75.8173.8168.3-66.1171000109.7
200P43.7Very low44.8Very low115 Ų115130.2 Ų130.275%0.74778%0.782SS**  cis-156.2-176.629.241.7-17.5000120.6
201V42.8Very low44.7Very low132 Ų132134.5 Ų134.580%0.879%0.789SS**  trans90.9142.1136.7125.50000123.6
202S41.7Very low44.8Very low112 Ų112131.8 Ų131.878%0.78378%0.782SS**  trans81.5110.7156.757.80000124.2
203G42.3Very low44.6Very low80 Ų80132.9 Ų132.983%0.82579%0.786SS**  101.4117.410900000121.4
204P43.9Very low44.4Very low108 Ų108136 Ų13670%0.70179%0.793SS**  trans-116.6171.3174.941.7-32.5000115.3
205P48.4Very low44.2Very low121 Ų121135.2 Ų135.279%0.78679%0.788SS**  trans-125.5155.4161.638-25.8000115.3
206H48Very low44.1Very low166 Ų166133.8 Ų133.877%0.76978%0.782SS**  trans-136.1151.9172.4-44.4-81000111.9
207P57.6Low44.2Very low125 Ų125135.6 Ų135.681%0.81278%0.775SS**  trans-127.1162.4149.437.4-26.5000111.8
208M45.3Very low44.4Very low151 Ų151137.4 Ų137.474%0.74478%0.778SS**  cis163.4119.3-29.1-100.8-75.1143.600106.4
209H44.9Very low44.3Very low183 Ų183133.6 Ų133.685%0.84777%0.766SS**  trans61.3149.1164.3-65.879.7000119.5
210G46.6Very low44.3Very low67 Ų67131.3 Ų131.369%0.69176%0.763SS**  cis-169.6169.8-1.300000113
211N38.4Very low44.1Very low158 Ų158131.7 Ų131.785%0.84577%0.769SS**  trans-77167.8-175.1-60.4-11.8000113.1
212T46.9Very low44.1Very low121 Ų121129.1 Ų129.174%0.74276%0.761SS**  167.1149101.7-45.90000112.1
213M45.3Very low44.4Very low182 Ų182131.6 Ų131.690%0.89776%0.762SS**  trans91.9118.7158.9-51.2-163.6-150.900121
214M44.4Very low44.6Very low175 Ų175134.9 Ų134.986%0.86276%0.76SS**  trans-113.2-167.3161.7-80.4-99.7-79.900107.1
215P46.7Very low44.8Very low87 Ų87135.5 Ų135.557%0.56576%0.762SS**  -122.6-168.5-54.235.6-21.1000110.9
216H41.1Very low45Very low151 Ų151138.7 Ų138.770%0.69977%0.766SS**  159.3155.6126.9-88.394.3000116.4
217H42.1Very low44.8Very low130 Ų130136.2 Ų136.260%0.60277%0.765SS**  trans80.3104.3149.4-67.2-48000124
218H41.4Very low44Very low187 Ų187141.8 Ų141.887%0.86677%0.77SS**  63.6157115.1-58.2-174.8000120.5
219S39Very low44Very low95 Ų95139.7 Ų139.766%0.66477%0.768SS**  cis-174.2152.6-24.8-840000110
220S39.7Very low43.8Very low111 Ų111142 Ų14278%0.77677%0.769SS**  trans76.4142.8149.2-58.50000124.1
221S40.5Very low43.3Very low124 Ų124150.1 Ų150.187%0.86778%0.779SS**  trans74.8142.3152.8-62.70000119.7
222A42.6Very low43.8Very low78 Ų78147.9 Ų147.965%0.64577%0.771SS**  cis-168.7177.8-13.700000110.6
223M48.3Very low43.3Very low164 Ų164149.2 Ų149.281%0.80877%0.774SS**  trans92.3110.6155.2-54.4-55.2-179.700122
224L46.6Very low43.3Very low148 Ų148145.4 Ų145.478%0.77576%0.762SS**  trans77.8146.7138.1-8490.1000123.6
225T46.5Very low43Very low122 Ų122142 Ų14275%0.74876%0.756SS**  trans77.786.9166.565.80000121.9
226H53.1Low42.7Very low187 Ų187145 Ų14587%0.86677%0.766SS**  trans35.1151.9131.8-58.2-45000124.6
227P43.7Very low42.7Very low115 Ų115147.3 Ų147.375%0.74778%0.777SS**  trans-113.1155.4-145.540.4-31.6000116.3
228R41.4Very low42.4Very low241 Ų241146.6 Ų146.691%0.90978%0.782SS**  trans-158.8114.9147-115.1174.9178.6-170-1.8110.7R230R228-R230 PolarHBondContact O-N 3.17Å
229P45.2Very low42.2Very low108 Ų108146.8 Ų146.870%0.70178%0.783SS**  trans-82.2120.8-176.131.1-32.6000111.7
230R40.4Very low42.1Very low232 Ų232146.1 Ų146.188%0.87578%0.783SS**  trans-97.996.7165.4-170.2-178.7-156.7161.25.7107.6R228 T232R228-R230 PolarHBondContact O-N 3.17Å; R230-T232 PolarHBondContact O-N 3.32Å; R230-T232 VanDerWaalsContact O-N 3.16Å
231W36.8Very low41.9Very low236 Ų236147.1 Ų147.189%0.89479%0.789SS**  trans-76.3104179.5-89.396.6000111.4
232T47.8Very low42Very low111 Ų111144.9 Ų144.968%0.68179%0.785SS**  trans-99.9144.9155.545.90000109.6R230R230-T232 PolarHBondContact O-N 3.32Å; R230-T232 VanDerWaalsContact O-N 3.16Å
233N36.1Very low42.7Very low150 Ų150146.8 Ų146.880%0.80279%0.791SS**  trans-55.7175.5169.8-133.52.4000112.2
234P45.3Very low42.8Very low101 Ų101145.1 Ų145.166%0.65679%0.792SS**  cis-140-176.4-6.633.4-10.2000116.8
235S38.6Very low42.5Very low104 Ų104143.6 Ų143.673%0.72779%0.793SS**  trans66.5104.1146.5-68.40000123.4
236I41.6Very low42.6Very low151 Ų151143.4 Ų143.477%0.77479%0.793SS**  35.9120.9123-55.5177.7000119.4
237Q39.3Very low42.2Very low198 Ų198142.6 Ų142.693%0.92579%0.79SS**  trans-142.4135.2137.9-139.1178.726.700110.8
238T37.2Very low42.2Very low115 Ų115145.5 Ų145.571%0.70679%0.794SS**  trans-113.1144.7-171-22.50000111.5
239Q36Very low42.2Very low191 Ų191138.8 Ų138.889%0.89378%0.784SS**  trans160.3153.6157.9-92.7158.1106.500108.7
240A37.2Very low42Very low81 Ų81139.2 Ų139.267%0.66979%0.789SS**  cis-169.8172.8-22.200000109
241C35.9Very low41.9Very low133 Ų133131.7 Ų131.790%0.89978%0.784SS**  trans77.5118160.8-60.60000122.2
242G43.4Very low42.1Very low76 Ų76127 Ų12778%0.78478%0.784SS**  117.9123121.300000120
243P57.4Low41.7Very low118 Ų118127.4 Ų127.477%0.76679%0.791SS**  trans-112.1-175.8-178.443.6-34.6000114.4
244P49.4Very low41.7Very low129 Ų129126.9 Ų126.984%0.83879%0.793SS**  -150.1173.493.638.3-19.4000117.5
245C41Very low41.3Very low116 Ų116128.3 Ų128.378%0.78480%0.804SS**  trans-98.9170.4-177.2-500000114.3
246P48.7Very low41.1Very low118 Ų118129.6 Ų129.677%0.76681%0.813SS**  -147.7138.6108.236.8-19.6000114.5
247Q44.6Very low40.8Very low170 Ų170125.7 Ų125.779%0.79481%0.81SS**  97.8116.879.9-168.7-164.91100115
248Q43.2Very low40.8Very low177 Ų177121.6 Ų121.683%0.82780%0.803SS**  trans161.8112.8135.8-89.2177.367.300112.3
249S41.9Very low40.9Very low99 Ų99123.1 Ų123.169%0.69281%0.812SS**  75.490.1112.7-174.40000117.1
250S40.2Very low41.1Very low117 Ų117117 Ų11782%0.81880%0.8SS**  46.7127.294.464.60000116
251G38.6Very low41.7Very low74 Ų74119.3 Ų119.376%0.76381%0.808SS**  cis-164.6-1704.200000112
252P40.5Very low42Very low137 Ų137120.5 Ų120.589%0.8981%0.806SS**  trans-98.8156.7-16437.5-35.1000115.4
253S39.4Very low42.2Very low120 Ų120122.2 Ų122.284%0.83980%0.803SS**  trans-155.3151.9162.6-1560000112.6
254V35.4Very low41.4Very low139 Ų139122.9 Ų122.984%0.84281%0.805SS**  trans-119.5134.4-178.6-77.30000110.8
255C37.3Very low40.9Very low131 Ų131122 Ų12289%0.88580%0.802SS**  trans-160.9141.3166.451.30000112.2
256S34.3Very low40.9Very low132 Ų132121.4 Ų121.492%0.92380%0.798SS**  trans-94.2161.1-174.6-54.20000114
257G35.5Very low40.5Very low68 Ų68120.4 Ų120.470%0.70180%0.8SS**  trans111153.4158.400000114.1
258S38.9Very low40.2Very low113 Ų113118.5 Ų118.579%0.7980%0.8SS**  cis175.5164-8.5-94.70000105.7
259V40.5Very low39.9Very low147 Ų147115.8 Ų115.889%0.89180%0.8SS**  trans74.2120.6164.5-157.30000117.4
260G39.5Very low39.5Very low62 Ų62115.8 Ų115.864%0.63981%0.807SS**  trans-114.7178.8159.300000111
261P50.9Low39.2Very low129 Ų129115.9 Ų115.984%0.83881%0.807SS**  trans-148.6154.9130.234.8-17.7000116.3
262N40.9Very low39.2Very low158 Ų158119.5 Ų119.585%0.84581%0.814SS**  trans-92.5171.8159.4-57.3-60000109.4
263P49.1Very low39Very low112 Ų112120.3 Ų120.373%0.72781%0.811SS**  -158.8-176.17937.9-14.1000118
264V39.7Very low39Very low133 Ų133120.4 Ų120.481%0.80681%0.809SS**  trans68141.8165.7-36.20000117.2
265S39.7Very low39Very low111 Ų111117.6 Ų117.678%0.77681%0.808SS**  cis-170.5173.7-2.4-111.40000108.3
266S40.3Very low38.8Very low102 Ų102117.2 Ų117.271%0.71381%0.807SS**  cis-172.8148.1-9.146.20000111.5
267A39.8Very low38.8Very low97 Ų97116.9 Ų116.980%0.80280%0.803SS**  trans70.5142.1158.600000118.4
268V39.1Very low38.8Very low131 Ų131117.4 Ų117.479%0.79481%0.809SS**  cis-144.5151.813.7-78.80000113.4
269S35.7Very low38.5Very low119 Ų119115.4 Ų115.483%0.83281%0.806SS**  trans33.8133.6147.6-54.70000122.3
270A34.4Very low38.2Very low100 Ų100115 Ų11583%0.82681%0.81SS**  cis-157.9132.1-5.500000110.5
271S34.8Very low38Very low119 Ų119115.3 Ų115.383%0.83281%0.812SS**  trans-127.2129.6169.259.30000109.7
272V38.3Very low37.1Very low149 Ų149117 Ų11790%0.90381%0.813SS**  trans-116.496.5176.7-76.60000110.7
273N34.7Very low37.2Very low154 Ų154116 Ų11682%0.82481%0.812SS**  trans-97.2174138.3-109.3-40.6000106.7
274P40.2Very low36.7Very low123 Ų123115.4 Ų115.480%0.79981%0.808SS**  cis-128.6175.9-5.733.7-14.5000113.6
275G36.1Very low36.8Very low80 Ų80114.3 Ų114.383%0.82581%0.806SS**  trans-164108.3170.400000113.3
276S32.8Very low37.1Very low123 Ų123115.6 Ų115.686%0.8681%0.812SS**  trans-114.7120.6177.8174.60000110.5
277C34.2Very low36.9Very low124 Ų124113.6 Ų113.684%0.83881%0.807SS**  trans-175.9143.2155.751.20000112.3
278G35.7Very low37.1Very low80 Ų80118 Ų11883%0.82581%0.811SS**  trans69132.3160.500000117.3
279G32.5Very low37.2Very low71 Ų71117.6 Ų117.673%0.73281%0.811SS**  cis99.2111.3900000112.2
280S33.6Very low37.3Very low139 Ų139115.2 Ų115.297%0.97281%0.806SS**  trans79.9145.6174.3-49.10000117.5
281G35Very low37.8Very low67 Ų67116.3 Ų116.369%0.69180%0.802SS**  trans128.672.5161.800000116
282I32.7Very low38.3Very low166 Ų166116.8 Ų116.885%0.85180%0.802SS**  trans-67.7130163.8-57.5164.1000107.9
283V42.1Very low38.5Very low135 Ų135116 Ų11682%0.81879%0.792SS**  trans-137.2110.4174.5-155.10000111.2
284P40.2Very low39Very low101 Ų101117.8 Ų117.866%0.65680%0.795SS**  trans-121.8144165.329.3-12000112.8
285S40.1Very low39.2Very low109 Ų109119.5 Ų119.576%0.76279%0.792SS**  trans70.4149.8169.2-53.20000116
286P46.6Very low39.8Very low138 Ų138121.4 Ų121.490%0.89679%0.79SS**  -114.4162.466.53.518.8000113.1
287G36.8Very low40.8Very low60 Ų60121.4 Ų121.462%0.61979%0.787SS**  cis154.3100.3-4.100000113.2
288H44Very low41.4Very low189 Ų189121.3 Ų121.388%0.87579%0.785SS**  trans64.1165.7160.7-85.9-99.1000120
289P40.3Very low41.4Very low123 Ų123125.4 Ų125.480%0.79978%0.782SS**  cis-126.6161.4-2.637.6-22.6000115.9
290G37.7Very low41.8Very low70 Ų70129.9 Ų129.972%0.72279%0.789SS**  trans141.257.6148.300000121
291T45.7Very low42.1Very low123 Ų123127.1 Ų127.176%0.75577%0.774SS**  trans-147.7136.2152.443.60000111.1
292P44.1Very low42.4Very low128 Ų128129.9 Ų129.983%0.83178%0.777SS**  trans-91.4113.8170.833-28.5000110.6
293I43.2Very low42.9Very low133 Ų133127.9 Ų127.968%0.68278%0.775SS**  trans-94.5113.9167.2-58.9-179000107.7H295I293-H295 PolarHBondContact O-N 3.49Å
294Q46.3Very low42.8Very low192 Ų192126.4 Ų126.490%0.89777%0.771SS**PPolyproline II helixtrans-73.6117.2171.9-79.6-165-10.200110.4
295H43.7Very low43.1Very low159 Ų159127.7 Ų127.774%0.73678%0.779SS**PPolyproline II helixtrans-96.8143.8158-73.6-103.9000109.1I293I293-H295 PolarHBondContact O-N 3.49Å
296P48.5Very low43.2Very low119 Ų119130.9 Ų130.977%0.77379%0.786SS**PPolyproline II helixtrans-77.1138.3-179.330.9-34.1000111.6
297P54.5Low42.8Very low123 Ų123129.7 Ų129.780%0.79977%0.772SS**PPolyproline II helixtrans-81.4139.717732-33.5000111.9
298P45Very low42.9Very low123 Ų123133.1 Ų133.180%0.79978%0.776SS**PPolyproline II helixtrans-83.8140.6175.632.8-33.5000113
299H36.7Very low42.6Very low166 Ų166131.5 Ų131.577%0.76977%0.769SS**  trans6.9120.3152168.3-85.9000119
300L41.3Very low42.6Very low165 Ų165130.9 Ų130.986%0.86477%0.767SS**  trans-151.8125.6149.7-101168.3000111.5
301A39.1Very low42.8Very low81 Ų81134.2 Ų134.267%0.66977%0.769SS**  trans64.390155.400000122.1
302V42.3Very low42.6Very low124 Ų124133.4 Ų133.475%0.75276%0.76SS**  trans-12.6134.9130.2166.40000115.7
303P42.4Very low42.7Very low125 Ų125134.4 Ų134.481%0.81275%0.753SS**  -136.5150.886.624.8-3.7000117.4
304S39.5Very low42.5Very low103 Ų103136.9 Ų136.972%0.7276%0.762SS**  trans-107.3-169.8-179.7-42.10000111.5
305P46.5Very low42.2Very low129 Ų129131.3 Ų131.384%0.83875%0.749SS**  -114.1179.3-121.128-5.7000114.3
306I43.7Very low42.1Very low176 Ų176129.8 Ų129.890%0.90376%0.756SS**  trans-131.4149.5167.3-155.6162.8000113
307N37.6Very low41.7Very low112 Ų112128.3 Ų128.360%0.59976%0.763SS**  trans-101.8148.1-167.5159.881.3000112.1
308N38.9Very low40.9Very low132 Ų132126.7 Ų126.771%0.70677%0.768SS**  trans175.3112.8141.5-90.3-4.8000108.9
309Q38Very low40.6Very low156 Ų156124.6 Ų124.673%0.72977%0.769SS**  69.4112.784.5-73.4-174.26.200115.1
310S40.6Very low40.9Very low109 Ų109124.7 Ų124.776%0.76277%0.773SS**  174.9124.5126.2-73.80000112.4
311N40.7Very low41.3Very low140 Ų140122.3 Ų122.375%0.74977%0.768SS**  trans53.3146.9137.1-61.940000120.9
312D42.4Very low41.5Very low107 Ų107124.2 Ų124.257%0.57278%0.776SS**  cis-165.2166.2-0-123.2-43.3000113.3
313H45.1Very low41.8Very low149 Ų149127.2 Ų127.269%0.6978%0.781SS**  trans61.2118.2159.1-53.7-31.9000121.3
314Q39.8Very low42.5Very low184 Ų184126.6 Ų126.686%0.8678%0.777SS**  71.9141.380.4-93.1-169.7-40.100116
315A40.1Very low42.7Very low76 Ų76130 Ų13063%0.62878%0.782SS**  cis-164.3165.4-1.700000113
316S41Very low42.6Very low127 Ų127132.1 Ų132.189%0.88878%0.78SS**  trans44.5121.4150.8-520000121.2
317G39.8Very low42.9Very low88 Ų88128.9 Ų128.991%0.90777%0.771SS**  109.1159.672.100000111.4
318G38.9Very low43.2Very low88 Ų88128 Ų12891%0.90778%0.778SS**  cis163.1131.6-9.500000112.6
319G39Very low44.2Very low80 Ų80127.5 Ų127.583%0.82578%0.783SS**  trans172153.3-179.200000116.1
320I42.6Very low44.9Very low167 Ų167125.8 Ų125.886%0.85679%0.785SS**  trans-134.1-158.8-163.1-25.1178.5000113.7
321P50.2Low44.9Very low116 Ų116129.8 Ų129.875%0.75379%0.791SS**  -125.8-171.8-125.345.7-27.2000117.1
322S43.3Very low45.1Very low121 Ų121134.4 Ų134.485%0.84680%0.8SS**  trans-165.4144.1156.147.10000115.6
323H47Very low45Very low186 Ų186138.3 Ų138.386%0.86182%0.817SS**  trans-109.4168.5174.3-83.5-81.1000111.8
324P57.5Low44.8Very low112 Ų112137.5 Ų137.573%0.72783%0.828SS**  -153.4150.111731.3-10.5000119.8
325H44.9Very low44.8Very low176 Ų176132.2 Ų132.282%0.81582%0.823SS**  trans42.4128.5145.6-64.3-75.1000124.1
326H44.4Very low44.8Very low172 Ų172137.9 Ų137.980%0.79684%0.836SS**  9216061.4-148.7-119.6000113.2
327P49.2Very low44.7Very low109 Ų109141 Ų14171%0.70884%0.837SS**  cis-124-173-6.310.617.3000116.7
328A44Very low44.6Very low92 Ų92143.4 Ų143.476%0.7683%0.834SS**  trans-129.5162.5164.300000113
329P59.5Low45.1Very low123 Ų123145.1 Ų145.180%0.79983%0.829SS**  trans-95.1168.5-175.637.3-34.8000115.6
330P53.2Low45.4Very low119 Ų119147 Ų14777%0.77383%0.827SS**  trans-106.3165.1-152.140.1-36.6000117.8
331H39.9Very low45.2Very low193 Ų193145.4 Ų145.489%0.89483%0.825SS**  trans-85.7151.2168.6-73.6-94.5000113.1
332Y45.3Very low44.9Very low237 Ų237145.1 Ų145.193%0.92983%0.826SS**  trans-108.5137163.4-104.5-94.4000110.8
333M39.9Very low44.7Very low189 Ų189146.6 Ų146.693%0.93183%0.825SS**  trans-112.9143.2171.1-94.3-168.1160.700110.3
334S41.7Very low44.5Very low133 Ų133143.6 Ų143.693%0.9382%0.821SS**  trans172.8146.9137.2-172.80000110.6
335G40Very low43.5Very low73 Ų73141.2 Ų141.275%0.75382%0.818SS**  trans133.998.2165.800000115.1
336Q38.8Very low43.2Very low194 Ų194140.8 Ų140.891%0.90782%0.82SS**  trans-77140.4172.1-60.9168.5-4500111.5
337Q39.2Very low42.9Very low194 Ų194140.1 Ų140.191%0.90782%0.822SS**  176.2140.2123.8-99.3174.2-3.500112.2
338T38.2Very low42.6Very low138 Ų138139.1 Ų139.185%0.84782%0.815SS**  trans-115.8146.5173.950.80000110.8
339P49.4Very low42.4Very low123 Ų123141.5 Ų141.580%0.79981%0.811SS**  trans-128.7164.6135.527.2-10.8000112.7
340P44.4Very low41.4Very low119 Ų119144.7 Ų144.777%0.77381%0.808SS**  trans-98.2159.2-153.637-36.8000116.2
341T38.4Very low40.8Very low135 Ų135143.7 Ų143.783%0.82881%0.81SS**  trans-64136.8162.9-60.80000111.7
342S43.8Very low40.9Very low110 Ų110139 Ų13977%0.76981%0.805SS**  trans-118.6121.8166.1-69.10000110.1
343N40.6Very low40.5Very low152 Ų152139.1 Ų139.181%0.81380%0.804SS**  trans-154.2117.5168.4-155.426.9000109.7
344P42.4Very low40.5Very low122 Ų122134.4 Ų134.479%0.79279%0.787SS**  trans-135.8156142.135.9-23.1000110.7
345G35.6Very low40.2Very low63 Ų63132.5 Ų132.565%0.64977%0.774SS**  cis123.9134.613.800000110.4
346L39.7Very low40.7Very low166 Ų166135.3 Ų135.387%0.86978%0.779SS**  trans78123.2175.2-43.7177.8000115
347L37.1Very low40.8Very low159 Ų159133.9 Ų133.983%0.83277%0.772SS**  74151.255.4-79-172.7000114.6
348P44Very low40.8Very low88 Ų88132.2 Ų132.257%0.57177%0.768SS**  cis-140.9178.5-13.540.4-22.2000116.6
349E38.2Very low40.9Very low142 Ų142134.9 Ų134.966%0.66477%0.773SS**  trans85.1159.4138.2-136159.4122.100123.2
350Y38.9Very low40.3Very low189 Ų189139 Ų13974%0.74177%0.774SS**  trans83.7110.8166.5-41.5-67.2000122.1
351A40.8Very low40Very low99 Ų99138.8 Ų138.882%0.81878%0.776SS**  trans83.5105.1130.400000123.1
352A42.6Very low40Very low95 Ų95135.6 Ų135.679%0.78577%0.77SS**  7288.7118.200000123.1
353R36.4Very low39.6Very low239 Ų239136.4 Ų136.490%0.90278%0.776SS**  62.5-179.3115.8-124.3-162.3154-165.6-6.5118.7
354P39.8Very low39.5Very low89 Ų89132.9 Ų132.958%0.57878%0.775SS**  -129.5174-112.945-28.3000117.1
355S36.4Very low39.5Very low94 Ų94133.2 Ų133.266%0.65778%0.78SS**  trans60.3141.4155-57.20000120.2
356P48.8Very low39.5Very low132 Ų132133.4 Ų133.486%0.85778%0.782SS**  trans-112119.4144.533.2-24.4000111.1
357H42.8Very low39.5Very low164 Ų164131.7 Ų131.776%0.75978%0.784SS**  trans-83.9151.6158.7-72.5-104.2000109.7
358L38Very low39.7Very low158 Ų158130.5 Ų130.583%0.82778%0.784SS**  trans31.9108.7148.8-75.7158.8000118.7
359M40.9Very low40.1Very low194 Ų194131.9 Ų131.996%0.95679%0.792SS**  trans-95.5111.1149.6-91.5-76.1156.700109.6
360Y36.1Very low40.3Very low209 Ų209131.2 Ų131.282%0.8279%0.793SS**  trans-128117.8163.1176.2-85000107.5
361S39Very low40.5Very low116 Ų116128.5 Ų128.581%0.81179%0.792SS**  trans-178.6146.3161-850000111.1
362G37.4Very low40.5Very low68 Ų68126.8 Ų126.870%0.70178%0.784SS**  trans109.475.4173.500000113.2
363S37.1Very low40.7Very low127 Ų127129.2 Ų129.289%0.88878%0.781SS**  98.6112.567.563.20000112.1
364G37.6Very low41.1Very low77 Ų77127 Ų12779%0.79478%0.778SS**  trans176.9108.217500000113.2
365S41.5Very low41Very low130 Ų130126.1 Ų126.191%0.90979%0.785SS**  trans-41.2152.8162.247.80000113.7
366G35.4Very low41.3Very low67 Ų67127.1 Ų127.169%0.69180%0.799SS**  cis143.3161.115.700000109.1
367S40.6Very low40.8Very low130 Ų130124.2 Ų124.291%0.90979%0.793SS**  trans79.6108.5174.8-500000118.9
368T40.8Very low40.5Very low134 Ų134122.9 Ų122.982%0.82280%0.802SS**  trans-89.9-172151.355.90000108.8
369P52.2Low40.5Very low116 Ų116119.4 Ų119.475%0.75381%0.805SS**  cis-136.8-168-1.737.9-16.1000115.5
370D43.6Very low40.2Very low128 Ų128115.7 Ų115.768%0.68480%0.796SS**  trans80.8106.1142-153.4-134.1000121.1
371N42.9Very low40.3Very low132 Ų132111.3 Ų111.371%0.70680%0.796SS**  178.7138.6100.2-111.9-65.3000115.9
372G41.3Very low40.3Very low63 Ų63112.5 Ų112.565%0.64979%0.793SS**  trans73.7153.5147.700000120.3
373M46.4Very low40.3Very low147 Ų147114.4 Ų114.472%0.72480%0.796SS**  cis-168141.8-15.4-133.5142.664.800110.9
374F43.6Very low40.4Very low193 Ų193112.3 Ų112.385%0.84679%0.794SS**  trans63.6138.9172-50.2-71.7000118.5
375G39.2Very low40.7Very low69 Ų69116.6 Ų116.671%0.71180%0.798SS**  cis157.4133.8-9.500000112.7
376A42.9Very low41.1Very low116 Ų116115.9 Ų115.996%0.95979%0.79SS**  trans48.9145.4165.900000119.5
377G36.6Very low41.5Very low71 Ų71120.8 Ų120.873%0.73280%0.801SS**  cis164.8143.20.200000110
378S37.3Very low41.3Very low135 Ų135117.7 Ų117.794%0.94479%0.79SS**  trans11.6124.6162.1-48.60000120.9
379G38.5Very low41.3Very low86 Ų86116.9 Ų116.989%0.88779%0.789SS**  trans-175125.2162.300000113.4
380C33.5Very low40.7Very low116 Ų116118.3 Ų118.378%0.78480%0.796SS**  trans-107.4166.5-17753.40000113
381S39.8Very low40.7Very low117 Ų117118 Ų11882%0.81880%0.798SS**  trans76.8153.5174.2-26.70000114.7
382D37.7Very low40.8Very low140 Ų140116.8 Ų116.875%0.74980%0.798SS**  cis-170.6164.6-25171.151.2000107.1
383S37.5Very low40.5Very low109 Ų109119.2 Ų119.276%0.76281%0.805SS**  trans63.7116.8162.4-74.60000119.6
384G40.3Very low40.3Very low82 Ų82123.1 Ų123.185%0.84581%0.811SS**  trans179.257.7174.100000116.1
385L42.8Very low40.1Very low167 Ų167119.5 Ų119.587%0.87481%0.81SS**  trans-75.5173.3170.1-71.3175.3000111.9
386P51.2Low40.1Very low115 Ų115120.7 Ų120.775%0.74781%0.807SS**  cis-132.9170.5-37.334.7-19.2000112.4
387N42.4Very low40Very low170 Ų170118.4 Ų118.491%0.90980%0.795SS**  trans-146.8144.7144.2-151.51.5000111.7
388G36.1Very low40.5Very low66 Ų66123.8 Ų123.868%0.6880%0.803SS**  trans-93.3150.2-161.800000115.4
389S42.2Very low41.4Very low116 Ų116125.4 Ų125.481%0.81180%0.798SS**  trans-141.4113.5153.4-84.20000108.4V391S389-V391 PolarHBondContact O-N 3.45Å
390V39.1Very low42.9Very low146 Ų146124.4 Ų124.489%0.88578%0.776SS**  trans-73.2119178170.50000109
391V44.5Very low44.6Very low122 Ų122124.2 Ų124.274%0.73977%0.773SS**  trans-115.3123.7167.4-176.10000107.5S389 S393S389-V391 PolarHBondContact O-N 3.45Å; V391-S393 PolarHBondContact O-N 3.22Å
392P43.6Very low46.1Very low107 Ų107123.9 Ų123.970%0.69577%0.768SS**  trans-66.1122.7178.2-20.132.3000111R394P392-R394 PolarHBondContact O-N 3.28Å
393S36.1Very low47.7Very low114 Ų114121.3 Ų121.380%0.79776%0.759SS**  trans-58.9103.2173.1-59.90000110.6V391 S395V391-S393 PolarHBondContact O-N 3.22Å; S393-S395 VanDerWaalsContact C-N 3.31Å; S393-S395 PolarHBondContact O-N 3.38Å
394R41.6Very low49.2Very low229 Ų229121.3 Ų121.386%0.86476%0.756SS**  trans-75.887.2168.2-71.6-173.5171.8-150.8-2.7108.8P392 S396P392-R394 PolarHBondContact O-N 3.28Å; R394-S396 PolarHBondContact O-N 2.92Å; R394-S396 PolarHBondContact O-OG 3.21Å
395S39Very low50.2Low116 Ų116125 Ų12581%0.81176%0.756SS**  trans-64.981.4165.8-630000109.4S393 G397S393-S395 VanDerWaalsContact C-N 3.31Å; S393-S395 PolarHBondContact O-N 3.38Å; S395-G397 PolarHBondContact O-N 2.81Å
396S39.2Very low50.4Low95 Ų95127.6 Ų127.666%0.66476%0.756SS**  trans-74.371177.6-60.50000110.5R394 M398R394-S396 PolarHBondContact O-N 2.92Å; R394-S396 PolarHBondContact O-OG 3.21Å; S396-M398 PolarHBondContact O-N 3.48Å
397G41.2Very low50Low67 Ų67127.5 Ų127.569%0.69176%0.758SS**  trans-60.8117.5157.900000108S395 M399S395-G397 PolarHBondContact O-N 2.81Å; G397-M399 PolarHBondContact O-N 3.31Å
398M46.9Very low50.1Low184 Ų184123.5 Ų123.591%0.90674%0.744SS**  trans-7174.2-179.3-69.8-78.4-174.200110.4S396S396-M398 PolarHBondContact O-N 3.48Å
399M56.8Low50.1Low170 Ų170124 Ų12484%0.83775%0.748SS**PPolyproline II helixtrans-75.1122163.9-161.387.380.600107.4G397G397-M399 PolarHBondContact O-N 3.31Å
400P69.9Low50.1Low65 Ų65125.2 Ų125.242%0.42274%0.743SS.*PPolyproline II helixtrans-62.4149.5168.628-33.3000109.2
401P68.9Low50.2Low111 Ų111123.4 Ų123.472%0.72174%0.737SS**PPolyproline II helixtrans-59.5148172.227.5-34.4000109.8
402P70.8Confident50Low111 Ų111123.4 Ų123.472%0.72174%0.742SS**PPolyproline II helixtrans-58.7149172.426.8-34.2000110
403P71.7Confident50Low86 Ų86123.5 Ų123.556%0.55875%0.746SS**PPolyproline II helixtrans-58.1151.6170.228-34.4000109.5D405P403-D405 PolarHBondContact O-N 2.85Å
404P69.8Low50.4Low108 Ų108122.8 Ų122.870%0.70175%0.747SS**PPolyproline II helixtrans-59.5127.117725.9-33.6000109.3Y406P404-Y406 PolarHBondContact O-N 2.82Å
405D61.3Low50.3Low159 Ų159117.8 Ų117.885%0.8575%0.747SS**  trans-52.9109.6167.3-86.3-70.1000108.3P403 S407P403-D405 PolarHBondContact O-N 2.85Å; D405-S407 PolarHBondContact O-N 3.01Å
406Y46.9Very low50.5Low223 Ų223116.5 Ų116.588%0.87574%0.744SS**  trans-67.183.2159-90.2-88.1000106.6P404 S408P404-Y406 PolarHBondContact O-N 2.82Å; Y406-S408 VanDerWaalsContact C-N 3.27Å; Y406-S408 PolarHBondContact O-N 3.5Å
407S42.2Very low50.9Low112 Ų112117.9 Ų117.978%0.78375%0.75SS**  trans-56.197.9171.5-172.30000107.1D405 G409D405-S407 PolarHBondContact O-N 3.01Å; S407-G409 VanDerWaalsContact C-N 3.27Å; S407-G409 PolarHBondContact O-N 2.72Å
408S43.6Very low50.7Low86 Ų86125.7 Ų125.760%0.60176%0.76SS**  trans-68.594.3178.242.50000106.5Y406 M410Y406-S408 VanDerWaalsContact C-N 3.27Å; Y406-S408 PolarHBondContact O-N 3.5Å; S408-M410 PolarHBondContact O-N 3.4Å
409G37.5Very low51Low76 Ų76122.6 Ų122.678%0.78475%0.754SS**  trans-66.160.3171.600000111.4S407 S411S407-G409 VanDerWaalsContact C-N 3.27Å; S407-G409 PolarHBondContact O-N 2.72Å; G409-S411 PolarHBondContact O-N 2.78Å
410M42.1Very low50.5Low142 Ų142120.3 Ų120.370%0.775%0.752SS**  trans-8198.1162.657.3-178.978.600107.3S408 S412S408-M410 PolarHBondContact O-N 3.4Å; M410-S412 PolarHBondContact O-N 2.85Å
411S40.5Very low48.9Very low109 Ų109120.8 Ų120.876%0.76277%0.768SS**  trans-58.5109.2170.6-64.10000109.2G409 S413G409-S411 PolarHBondContact O-N 2.78Å; S411-S413 PolarHBondContact O-N 2.77Å
412S40.7Very low48.1Very low121 Ų121121.2 Ų121.285%0.84677%0.774SS**  trans-66.774.6171.5-61.30000110.8M410 A414M410-S412 PolarHBondContact O-N 2.85Å; S412-A414 PolarHBondContact O-N 2.89Å
413S44.2Very low46.7Very low109 Ų109122.6 Ų122.676%0.76278%0.775SS**  trans-65.3120.4165.8-75.80000108.8S411 S415S411-S413 PolarHBondContact O-N 2.77Å; S413-S415 PolarHBondContact O-N 2.96Å
414A43.8Very low45.8Very low100 Ų100124.1 Ų124.183%0.82678%0.783SS**  trans-58.3120.7-175.500000111.9S412 A416S412-A414 PolarHBondContact O-N 2.89Å; A414-A416 PolarHBondContact O-N 3.08Å; A414-A416 VanDerWaalsContact O-N 3.13Å
415S40.3Very low44.5Very low124 Ų124128.4 Ų128.487%0.86779%0.791SS**  trans-74.195170.740.20000110.5S413S413-S415 PolarHBondContact O-N 2.96Å
416A42.8Very low43.7Very low89 Ų89124.9 Ų124.974%0.73678%0.783SS**PPolyproline II helixtrans-86.1147.116500000110.7A414A414-A416 PolarHBondContact O-N 3.08Å; A414-A416 VanDerWaalsContact O-N 3.13Å
417P47.2Very low43.6Very low124 Ų124120.2 Ų120.281%0.80578%0.783SS**PPolyproline II helixtrans-81.3152.5-168.2-12.230000114.6
418Y35.8Very low43.9Very low230 Ų230120.6 Ų120.690%0.90278%0.783SS**PPolyproline II helixtrans-54.3153.8173-64.5-92.3000114.5
419P54.6Low44.1Very low119 Ų119124.6 Ų124.677%0.77380%0.797SS**  -123.3162.6125.135.6-29.3000112.8
420P45.7Very low44.5Very low123 Ų123129.9 Ų129.980%0.79980%0.801SS**  trans-101.5150.8-156.937.6-35.7000116.6
421G37.2Very low44.4Very low74 Ų74126.2 Ų126.276%0.76380%0.8SS**  64.495.4126.900000120.6
422S50.9Low44.4Very low121 Ų121126 Ų12685%0.84680%0.798SS**  trans173152.5143.436.40000109
423D42.6Very low44.3Very low139 Ų139128.3 Ų128.374%0.74380%0.8SS**  cis-156.4151.9-30.4-164.1-125.7000106.7
424V51.3Low44.2Very low118 Ų118126 Ų12672%0.71579%0.794SS**  trans31.7128.6164.3-62.40000122.4
425K43.9Very low44.4Very low199 Ų199130 Ų13087%0.86580%0.798SS**  149.1132.899.1-166.8160.1179176.60116.1
426A44.8Very low44.2Very low84 Ų84130.6 Ų130.669%0.69480%0.795SS**  trans71.887154.100000121.9
427S43.5Very low44.1Very low125 Ų125132.4 Ų132.487%0.87480%0.801SS**  46.8153.1112.9-540000124.9
428P48.3Very low43.5Very low120 Ų120133.9 Ų133.978%0.77980%0.803SS**  trans-120.3169.9-163.742.8-29.1000116.8
429L47.8Very low43.8Very low170 Ų170130.6 Ų130.689%0.8980%0.797SS**  trans-145.4120.9162.8-66.8173.2000107.2
430H46.3Very low43.2Very low187 Ų187132 Ų13287%0.86680%0.796SS**  86.5118.161.7-160.2110.9000114.7
431G40.9Very low42.9Very low66 Ų66131.8 Ų131.868%0.6880%0.797SS**  trans83.9155.3168.900000115.5
432S40Very low43.2Very low103 Ų103133.3 Ų133.372%0.7280%0.796SS**  cis-167141.9-5.3-177.50000110
433L37.9Very low42.9Very low170 Ų170135.4 Ų135.489%0.8980%0.796SS**  trans32.3132.6151.8-58.7170.8000121.2
434G41.9Very low42.7Very low62 Ų62132 Ų13264%0.63979%0.793SS**  trans174.1101.8155.400000119.2
435M47.8Very low42.5Very low184 Ų184132.9 Ų132.991%0.90680%0.798SS**  trans71.9114.6140.7-41-44.2171.300120.9
436V37.2Very low43.3Very low135 Ų135128.6 Ų128.682%0.81879%0.791SS**  trans-63.6156.1152.3-68.20000111.9
437C39.7Very low44Very low127 Ų127130.1 Ų130.186%0.85879%0.794SS**  178.8136129.3-97.30000112.4
438D36Very low45Very low156 Ų156130.3 Ų130.383%0.83479%0.792SS**  trans-57.4149.9169.3-112.3-88.7000113.5
439M41.1Very low45.2Very low160 Ų160132.7 Ų132.779%0.78880%0.797SS**  trans-169.5109.5143.6-106.7176.3-164.900114.6
440M42.2Very low45.1Very low150 Ų150133.2 Ų133.274%0.73980%0.798SS**  trans66.9101.8131.4-59172.1-172.800121.6
441S39.6Very low45.5Very low118 Ų118130.3 Ų130.383%0.82580%0.795SS**  39.4118.9124.7-540000122.1
442S44.5Very low45.5Very low106 Ų106132.7 Ų132.774%0.74180%0.802SS**  trans-164.1127.6134.5-86.90000113.8
443I43.7Very low45.8Very low165 Ų165134.3 Ų134.385%0.84680%0.802SS**  trans52120.9139.6-49162.3000116.9
444G38.7Very low45.9Very low66 Ų66135.8 Ų135.868%0.6880%0.797SS**  cis118.284.620.700000110.7
445V47.7Very low46.2Very low137 Ų137138.5 Ų138.583%0.8380%0.803SS**  trans-138.7123-179.9-177.40000110.4
446P60.5Low46.1Very low110 Ų110135.9 Ų135.971%0.71480%0.8SS**PPolyproline II helixtrans-93.1155.7174.336-33.1000112.6
447P58.6Low46.4Very low115 Ų115133.3 Ų133.375%0.74780%0.801SS**PPolyproline II helixtrans-80147.4173.833.2-34.2000112
448P65.1Low46.5Very low129 Ų129135.5 Ų135.584%0.83880%0.804SS**PPolyproline II helixtrans-79.4139.3177.231.7-33.5000112.4
449L51.3Low46.7Very low171 Ų171131.7 Ų131.790%0.89580%0.801SS**PPolyproline II helixtrans-79.9155.4175.6-67.2167.7000112.2
450M46Very low47Very low181 Ų181130 Ų13089%0.89280%0.803SS**PPolyproline II helixtrans-79.6149.9177.6-44.3-173.282.600112.1
451P54.4Low47Very low125 Ų125128.3 Ų128.381%0.81281%0.805SS**  trans-104.2141.9157.9-2.923.8000112.7
452S41.8Very low47.2Very low117 Ų117127.4 Ų127.482%0.81880%0.799SS**  trans-85.8174.2177.9-57.80000114.2
453D45.2Very low47.1Very low136 Ų136130.5 Ų130.573%0.72781%0.807SS**  trans10797.3139.2-129.5-95.3000120.1
454Y41.5Very low47.1Very low202 Ų202126.6 Ų126.679%0.79281%0.808SS**  trans44.8174.9139.5-73.3-81.9000122.4
455P47.9Very low47.2Very low118 Ų118129.6 Ų129.677%0.76682%0.819SS**  cis-123.2-177.7-17.113.113.5000114
456P45.6Very low47Very low130 Ų130126.8 Ų126.884%0.84482%0.817SS**  trans-91.4160.8-170.136.4-36.6000116.2
457G42.6Very low46.1Very low80 Ų80131.5 Ų131.583%0.82583%0.83SS**  trans-155.9147.3176.100000114.9
458N42.9Very low45.3Very low174 Ų174129.9 Ų129.993%0.9383%0.834SS**  trans-96.3132.9-165.8-75.4-37.2000116.2
459G39.2Very low44Very low75 Ų75131 Ų13177%0.77383%0.833SS**  trans49.6-166.1142.100000120.8
460P48.2Very low43.5Very low126 Ų126128 Ų12882%0.81883%0.826SS**  cis-130.8-160.3-20.741.1-24000113
461S42.8Very low43.1Very low114 Ų114122.8 Ų122.880%0.79782%0.819SS**  trans84.7145.1169.4-60.90000118.2
462S43.7Very low42.2Very low99 Ų99126.4 Ų126.469%0.69282%0.822SS**  cis-167.7148.4-1147.90000113.8
463N42.7Very low42.2Very low170 Ų170128.9 Ų128.991%0.90983%0.825SS**  trans53.8124.7147.6-68.6-4.7000123.7
464G43.1Very low41.8Very low84 Ų84126.2 Ų126.287%0.86683%0.83SS**  trans-166.399.1154.400000110.2
465S40.5Very low41.7Very low129 Ų129124.4 Ų124.490%0.90283%0.834SS**  trans-101.2144.5-164.251.30000115.2
466G43.7Very low41.3Very low78 Ų78123.3 Ų123.380%0.80483%0.829SS**  trans-159.5117.9167.800000111.8
467Q41Very low41.2Very low209 Ų209124.3 Ų124.398%0.97783%0.832SS**  trans-86.3153.6-175.6-66.5175.8-11.500112.9
468G41.5Very low41.3Very low81 Ų81126.5 Ų126.584%0.83583%0.829SS**  trans-169.863.2178.800000114.6
469N38.9Very low41.3Very low152 Ų152126.8 Ų126.881%0.81383%0.827SS**  trans-39.3154-172.2-166.328.3000120.8
470S39.9Very low41.9Very low109 Ų109131.1 Ų131.176%0.76283%0.83SS**  trans83.6140.4150.776.80000121.3
471G38.4Very low42.3Very low71 Ų71130 Ų13073%0.73282%0.822SS**  trans129.753.715300000120
472F36Very low43.1Very low201 Ų201129.4 Ų129.488%0.88282%0.816SS**  trans7.2145.6148.4-87.3-87.2000123
473L42.2Very low43.3Very low168 Ų168130.7 Ų130.788%0.8882%0.822SS**  trans82.9117.7164.4-58.4172.2000116.6
474G35.4Very low43.8Very low80 Ų80131.6 Ų131.683%0.82582%0.821SS**  trans-89.8147.3168.300000110.7
475D40.6Very low44Very low165 Ų165136.7 Ų136.788%0.88282%0.822SS**  trans-110.5133.3176.1-132.1-45.9000110.8
476S39.6Very low43.9Very low95 Ų95139.4 Ų139.466%0.66482%0.82SS**  trans-87.2129.7179.5-64.70000108.8V478S476-V478 VanDerWaalsContact C-N 3.28Å; S476-V478 WeakPolarHBondContact O-CG2 3.45Å; S476-V478 PolarHBondContact O-N 3.35Å
477V43.3Very low43.9Very low150 Ų150142 Ų14291%0.90982%0.821SS**  trans-67.487.8171.8-81.70000110.4M479V477-M479 PolarHBondContact O-N 3.01Å; V477-M479 VanDerWaalsContact O-N 3.17Å
478V43.5Very low43.9Very low126 Ų126138 Ų13876%0.76481%0.81SS**  trans-72.6105174.7-170.60000108.4S476 M480S476-V478 VanDerWaalsContact C-N 3.28Å; S476-V478 WeakPolarHBondContact O-CG2 3.45Å; S476-V478 PolarHBondContact O-N 3.35Å; V478-M480 PolarHBondContact O-N 3.37Å; V478-M480 VanDerWaalsContact O-N 3.13Å
479M43.8Very low43.9Very low180 Ų180141.6 Ų141.689%0.88781%0.81SS**  trans-58.5114.3171.2-85.9-79-169.400110.2V477V477-M479 PolarHBondContact O-N 3.01Å; V477-M479 VanDerWaalsContact O-N 3.17Å
480M51.9Low43.8Very low167 Ų167141.4 Ų141.482%0.82380%0.804SS**PPolyproline II helixtrans-71.3127.9176.2-168.27773.800110.1V478V478-M480 PolarHBondContact O-N 3.37Å; V478-M480 VanDerWaalsContact O-N 3.13Å
481P56.4Low43.8Very low102 Ų102145.1 Ų145.166%0.66281%0.809SS**PPolyproline II helixtrans-71.3147.4170.930.4-33.8000110.8
482P58.5Low44.2Very low102 Ų102149.3 Ų149.366%0.66281%0.809SS**PPolyproline II helixtrans-69150.8-178.328.7-35.1000112.1Q484P482-Q484 PolarHBondContact O-N 2.9Å
483P49.1Very low44.6Very low126 Ų126147.5 Ų147.582%0.81881%0.807SS**PPolyproline II helixtrans-72.4124.4-175.529.1-34.2000111.5Q485P483-Q485 PolarHBondContact O-N 2.95Å
484Q53.7Low44.7Very low189 Ų189142.5 Ų142.588%0.88380%0.796SS**PPolyproline II helixtrans-73.6127.2169.2-70.9-163.7-18.200110.5P482 Q486P482-Q484 PolarHBondContact O-N 2.9Å; Q484-Q486 PolarHBondContact O-N 3.28Å
485Q45.7Very low45.2Very low191 Ų191144.7 Ų144.789%0.89380%0.799SS**PPolyproline II helixtrans-68.6126.6176.5-67.5176-14.500110.1P483 T487P483-Q485 PolarHBondContact O-N 2.95Å; Q485-T487 PolarHBondContact O-N 3.13Å
486Q40.2Very low45.2Very low185 Ų185140.2 Ų140.286%0.86479%0.792SS**  trans-73113.6176.6-72.9176.9-27.500110.7Q484 V488Q484-Q486 PolarHBondContact O-N 3.28Å; Q486-V488 PolarHBondContact O-N 3.11Å
487T42.9Very low45.6Very low133 Ų133141.3 Ų141.382%0.81680%0.796SS**  trans-79.5116.6161-64.50000109.1Q485 L489Q485-T487 PolarHBondContact O-N 3.13Å; T487-L489 PolarHBondContact O-N 3.34Å
488V39.6Very low45.5Very low125 Ų125142.5 Ų142.576%0.75879%0.792SS**  trans-69.6124175173.50000110Q486Q486-V488 PolarHBondContact O-N 3.11Å
489L42.5Very low45.3Very low157 Ų157141.9 Ų141.982%0.82279%0.793SS**  trans-148.6109.1155.1-114.6167.1000111.9T487T487-L489 PolarHBondContact O-N 3.34Å
490Q37.3Very low45Very low148 Ų148142.6 Ų142.669%0.69280%0.795SS**  trans-30.1129.9172.9-152.780.352.800115.6
491Q40.4Very low44.6Very low187 Ų187138.8 Ų138.887%0.87479%0.79SS**  trans-130.9122.5153.6-72.7-161.84.600110.9
492H46.2Very low44.4Very low159 Ų159139.7 Ų139.774%0.73680%0.796SS**  trans-85.9115.1169.5-98.9-102.1000110
493I44.7Very low43.9Very low162 Ų162140.9 Ų140.983%0.83180%0.803SS**  trans18.6124.8134.6-55.9161.7000116.8
494G44.5Very low43.3Very low64 Ų64143.2 Ų143.266%0.6680%0.803SS**  trans144.990.5142.800000118.3
495S44Very low42.9Very low126 Ų126144.2 Ų144.288%0.88180%0.8SS**  trans43.8119.2137.4-48.10000121.6
496G42.4Very low43Very low71 Ų71140.4 Ų140.473%0.73279%0.79SS**  trans-84.2-148.1161.600000112.9
497P48.1Very low43.6Very low117 Ų117136.8 Ų136.876%0.7678%0.782SS**  cis-140.2-173.7-4.243.5-25.9000115.9
498Q39.9Very low43.6Very low176 Ų176136.3 Ų136.382%0.82279%0.785SS**  trans76.3137.6151.9-83.6-176.8-18.500122.9
499S39.2Very low43.8Very low112 Ų112134.3 Ų134.378%0.78379%0.789SS**  trans68.7127.1159.2-55.70000116.6
500Q38.7Very low43.9Very low196 Ų196130.9 Ų130.992%0.91679%0.791SS**  -165.6164.753.7-164.9161.513.600111.5
501A43Very low44.3Very low87 Ų87132.6 Ų132.672%0.71980%0.799SS**PPolyproline II helixtrans-82.5156.3-172.600000115.4
502P52.9Low44.4Very low121 Ų121133.1 Ų133.179%0.78680%0.801SS**PPolyproline II helixtrans-87.8145.9178.734.8-34.1000113.4
503P47.9Very low44.3Very low127 Ų127131.6 Ų131.683%0.82581%0.809SS**PPolyproline II helixtrans-84.9149.2174.833.8-33.7000113.2
504Q36.6Very low44.2Very low174 Ų174127 Ų12781%0.81380%0.801SS**PPolyproline II helixtrans-73.5145.6169.6-76.2-84.7-38.700111.5
505Y45.1Very low44.2Very low211 Ų211130.3 Ų130.383%0.82781%0.814SS**  trans-145.9130.6160.3-149.1-93.5000111.2
506V46.3Very low44Very low111 Ų111128.3 Ų128.367%0.67381%0.814SS**  trans-130.6137.5175.11770000107.3
507P54.5Low44Very low108 Ų108129 Ų12970%0.70182%0.82SS**  trans-126140.7152.731.2-17000112.9
508S41.6Very low43.7Very low124 Ų124127 Ų12787%0.86782%0.822SS**  trans-81.6163.2-178.3-46.80000113.6
509G43.4Very low44.3Very low83 Ų83124.8 Ų124.886%0.85682%0.822SS**  trans138.4131.2148.300000115.8
510G45.9Very low44.5Very low84 Ų84125.2 Ų125.287%0.86683%0.826SS**  trans140.680.6169.100000114.9
511Q44.1Very low44.7Very low184 Ų184121.7 Ų121.786%0.8682%0.823SS**  trans-79.8156.2164.8-64171.6-22.700110.1
512H44.4Very low44.8Very low198 Ų198125 Ų12592%0.91783%0.826SS**  trans-173.5158.5134.1-112.3-122000111.7
513S42.6Very low44.2Very low127 Ų127128.2 Ų128.289%0.88883%0.831SS**  trans-115.3161-158-50.20000115.3
514G43Very low43.9Very low65 Ų65126.9 Ų126.967%0.6782%0.824SS**  trans158.2110.4165.300000110.6
515S44.1Very low44.1Very low134 Ų134125.2 Ų125.294%0.93783%0.826SS**  54.5121.876.7-56.60000112.2
516G40.7Very low43.9Very low85 Ų85120.6 Ų120.688%0.87682%0.823SS**  cis147.61305.100000108.7
517G41.9Very low43.7Very low84 Ų84122.4 Ų122.487%0.86683%0.834SS**  trans176.6125.6-177.800000114.4
518G42.9Very low43Very low76 Ų76120.7 Ų120.778%0.78484%0.836SS**  trans-97.4-179179.800000114.5
519P51.9Low43Very low129 Ų129120.4 Ų120.484%0.83883%0.834SS**  trans-97.2160.8-159.937.8-36.5000115
520S44Very low42.6Very low122 Ų122123 Ų12385%0.85383%0.828SS**  trans-146.1139.6167-72.40000111.4
521S41.5Very low43Very low122 Ų122124.4 Ų124.485%0.85382%0.822SS**  trans-62.9140.2176.3-60.20000113.1
522I45.6Very low42.8Very low156 Ų156120 Ų12080%0.881%0.812SS**  trans-127.7117.6151.5-68-175.7000107.9
523Q39.8Very low43.3Very low189 Ų189117 Ų11788%0.88381%0.81SS**  trans-69.2127.7160.5-67.2179.1-4.200107.6
524S41.7Very low43.3Very low98 Ų98115.6 Ų115.669%0.68581%0.806SS**  trans-125.3114.2164.6-162.20000109.4C526S524-C526 PolarHBondContact O-N 2.72Å
525V41.4Very low43.1Very low140 Ų140116.7 Ų116.785%0.84882%0.817SS**  trans-74.7109.9172.9-80.30000109.1
526C40.4Very low42.7Very low114 Ų114113.9 Ų113.977%0.7781%0.81SS**  trans-117.8103.8170.9-70.80000109.5S524 G528S524-C526 PolarHBondContact O-N 2.72Å; C526-G528 PolarHBondContact O-N 3.27Å
527V41.4Very low42.8Very low149 Ų149115.7 Ų115.790%0.90381%0.809SS**  trans-67.8120.5167.9176.50000108
528G39.6Very low42.7Very low71 Ų71115 Ų11573%0.73280%0.802SS**  trans-147.3109.8-18000000110.4C526C526-G528 PolarHBondContact O-N 3.27Å
529S42.2Very low42.8Very low119 Ų119116.5 Ų116.583%0.83280%0.8SS**  trans-67.3135.9-168.2-52.30000113.7
530N34.8Very low42.4Very low136 Ų136116.3 Ų116.373%0.72780%0.796SS**  trans-94.1137.2167.8-172.25.8000109.5
531P54.4Low42.2Very low115 Ų115119.3 Ų119.375%0.74780%0.797SS**  trans-122.2112.3148.633.2-22000111.2
532S39.9Very low42.4Very low91 Ų91121.5 Ų121.564%0.63679%0.791SS**  trans-63.8141166.9-51.40000110.9A534S532-A534 PolarHBondContact O-N 3.12Å
533P54.2Low42.7Very low136 Ų136120 Ų12088%0.88379%0.792SS**  trans-73.9108.7161.530-30.4000109
534A43.5Very low42.6Very low96 Ų96120 Ų12079%0.79379%0.792SS**  trans-94.7139.8168.700000110.4S532S532-A534 PolarHBondContact O-N 3.12Å
535G38.1Very low42.5Very low88 Ų88123.2 Ų123.291%0.90780%0.796SS**  trans82.2120.3160.600000116.1
536G35.6Very low42.4Very low76 Ų76127.3 Ų127.378%0.78480%0.798SS**  trans165.458.6175.200000114G538G536-G538 VanDerWaalsContact C-N 3.27Å; G536-G538 PolarHBondContact O-N 3.41Å
537S43.1Very low42.4Very low122 Ų122127 Ų12785%0.85380%0.797SS**  trans-69.686.5169.6-61.80000109.8S539S537-S539 PolarHBondContact O-N 3.17Å
538G40.2Very low42.5Very low70 Ų70128.9 Ų128.972%0.72279%0.794SS**  trans-71.974.9172.900000111.4G536 V540G536-G538 VanDerWaalsContact C-N 3.27Å; G536-G538 PolarHBondContact O-N 3.41Å; G538-V540 PolarHBondContact O-N 2.8Å; G538-V540 VanDerWaalsContact O-N 3.07Å
539S44.4Very low42.8Very low107 Ų107129.8 Ų129.875%0.74879%0.788SS**  trans-65105.5167.6-670000108.9S537 Q541S537-S539 PolarHBondContact O-N 3.17Å; S539-Q541 PolarHBondContact O-N 3.22Å
540V43.9Very low42.8Very low126 Ų126132.5 Ų132.576%0.76479%0.788SS**  trans-68.898.7170.1-163.70000107.1G538 F542G538-V540 PolarHBondContact O-N 2.8Å; G538-V540 VanDerWaalsContact O-N 3.07Å; V540-F542 PolarHBondContact O-N 2.77Å
541Q40.2Very low43.2Very low185 Ų185134.6 Ų134.686%0.86480%0.796SS**  trans-74.194.1-177.1-175.9173.5-8.800109.5S539S539-Q541 PolarHBondContact O-N 3.22Å
542F46.1Very low42.6Very low167 Ų167137.9 Ų137.973%0.73282%0.821SS**  trans-61.1146.6163.5-78.8-87.1000109.9V540 Q544V540-F542 PolarHBondContact O-N 2.77Å; F542-Q544 PolarHBondContact O-N 3Å
543P51.1Low42.7Very low126 Ų126140.2 Ų140.282%0.81883%0.83SS**  trans-61.5104.5172.9-20.832.9000110.4E545P543-E545 VanDerWaalsContact C-N 3.28Å; P543-E545 PolarHBondContact O-N 3.28Å
544Q38.4Very low42.1Very low187 Ų187140.4 Ų140.487%0.87483%0.828SS**  trans-91.459.6-179-162.2-179.519.900110.7F542F542-Q544 PolarHBondContact O-N 3Å
545E39.7Very low42Very low166 Ų166142.9 Ų142.978%0.77683%0.83SS**  trans-13376.9178-85.2-67.1151.400109.9P543P543-E545 VanDerWaalsContact C-N 3.28Å; P543-E545 PolarHBondContact O-N 3.28Å
546Y39.9Very low42.2Very low226 Ų226146.1 Ų146.189%0.88683%0.825SS**  trans-155.782.2149.7-112.7-73.3000109.1F548Y546-F548 VanDerWaalsContact C-N 3.34Å; Y546-F548 PolarHBondContact O-N 3.13Å
547S39.7Very low42.6Very low109 Ų109150.5 Ų150.576%0.76283%0.828SS**  trans-72.684.2174.6-1770000110.5S549S547-S549 VanDerWaalsContact C-N 3.28Å; S547-S549 PolarHBondContact O-N 3.32Å; S547-S549 VanDerWaalsContact O-N 3.13Å
548F43.4Very low42.6Very low188 Ų188152.4 Ų152.483%0.82583%0.826SS**  trans-8476.1168-154.3-87000109.8Y546Y546-F548 VanDerWaalsContact C-N 3.34Å; Y546-F548 PolarHBondContact O-N 3.13Å
549S45Very low42.8Very low89 Ų89158.3 Ų158.362%0.62283%0.833SS**  trans-108.3121.4177.7-166.90000110.7S547S547-S549 VanDerWaalsContact C-N 3.28Å; S547-S549 PolarHBondContact O-N 3.32Å; S547-S549 VanDerWaalsContact O-N 3.13Å
550Q42.7Very low42.7Very low176 Ų176162.2 Ų162.282%0.82284%0.84SS**  trans63.197.4172.2-60.9-15881.300118.4
551M44.1Very low42.6Very low180 Ų180165.3 Ų165.389%0.88785%0.846SS**  -135.6110.7129.6-106.6152.416400108.3
552S40.2Very low42.8Very low184 Ų184163.5 Ų163.5100%1.28785%0.845SS**  trans-99.20162.5178.30000109.3

Retrieved 552 of 552 residues in 126.6 ms (Link to these results)