A0A060CX05_MAIZE Loading...

MYB transcription factor

AlphaFold DB , UniProt , Accession A0A060CX05, Species MAIZE (Zea mays, Maize), Gene MYB11, Length 218 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M51.2Low66.3Low244 Ų244131.2 Ų131.2100%1.20272%0.717SS**  0110.70-72.7-170.3-96.400109.3
2G61.8Low67.7Low79 Ų79123.3 Ų123.381%0.81468%0.675SS**PPolyproline II helixtrans-73.2145.5178.700000111.8S4G2-S4 PolarHBondContact O-N 3.09Å
3R72.3Confident69.1Low230 Ų230120.2 Ų120.287%0.86866%0.658SS**PPolyproline II helixtrans-66.9127.1174.5-69.1-174.5-177.2-141.30.7109
4S67.9Low70.4Confident85 Ų85124.5 Ų124.559%0.59467%0.667SS**PPolyproline II helixtrans-60.1142.3172.848.80000110.7G2 C6G2-S4 PolarHBondContact O-N 3.09Å; S4-C6 PolarHBondContact O-N 3.23Å
5P72.9Confident71.7Confident112 Ų112119.7 Ų119.773%0.72766%0.658SS**PPolyproline II helixtrans-52.9135172.1-25.334.1000110.6C7P5-C7 PolarHBondContact O-N 3.14Å; P5-C7 VanDerWaalsContact O-N 3.13Å
6C66.1Low73.2Confident68 Ų68117.9 Ų117.946%0.45966%0.664SS.*SBendtrans-64.8-16.1-178.5-173.70000113.4S4S4-C6 PolarHBondContact O-N 3.23Å
7C68.7Low74.6Confident45 Ų45113.4 Ų113.430%0.30463%0.634SS.*SBendtrans-138.6126.5-174-42.60000109.4P5 K9 C49P5-C7 PolarHBondContact O-N 3.14Å; P5-C7 VanDerWaalsContact O-N 3.13Å; C7-K9 PolarHBondContact O-N 3.01Å; C7-C49 HydrophobicContact CB-CB 3.96Å; C7-C49 WeakPolarHBondContact SG-CB 3.41Å
8E65.6Low75.8Confident164 Ų164110.6 Ų110.677%0.76662%0.621SS**  trans-70117.9158.4-70.7175.4-170.400107.3A10E8-A10 PolarHBondContact O-N 3.28Å; E8-A10 VanDerWaalsContact O-N 3.14Å
9K62.1Low77Confident190 Ų190112.7 Ų112.783%0.82662%0.622SS**THydrogen-bonded Turntrans-66.9-16.2-167.2-68.6178.5-178.3174.10113.9C7C7-K9 PolarHBondContact O-N 3.01Å
10A65.2Low78Confident76 Ų76112.6 Ų112.663%0.62862%0.617SS**THydrogen-bonded Turntrans-88.8-25-16500000115.2E8E8-A10 PolarHBondContact O-N 3.28Å; E8-A10 VanDerWaalsContact O-N 3.14Å
11H75.1Confident78.9Confident150 Ų150107.6 Ų107.669%0.69459%0.589SS**SBendtrans-141.241.9-168.5-52.4-60.6000113.7V47H11-V47 WeakPolarHBondContact O-CG1 3.46Å
12T83.4Confident81.2Confident36 Ų3696.9 Ų96.922%0.22154%0.537CS..  trans-122.2131.4176.350.80000112
13N86.1Confident82.9Confident83 Ų8397.4 Ų97.444%0.44452%0.521SS..  trans-68.7129.4178.2-68.3-14.2000110.5V47 R48N13-V47 WeakPolarHBondContact CB-O 3.25Å; N13-V47 PolarHBondContact N-O 2.86Å; N13-R48 VanDerWaalsContact O-CD 3.22Å; N13-R48 WeakPolarHBondContact O-CD 3.25Å; N13-R48 PolarHBondContact O-NH1 3.44Å
14K86.5Confident84.1Confident181 Ų18191.6 Ų91.679%0.78750%0.499SS*.  trans-111.4-3.2-179.6-62.9176.8-172.6169.10113.9
15G91.1Very high85.5Confident52 Ų5287.6 Ų87.654%0.53647%0.471SS..SBendtrans-82.3-168.3-178.600000114.1R48G15-R48 PolarHBondContact O-NH1 2.76Å; G15-R48 PolarHBondContact O-NH2 3.44Å
16A94.7Very high86.7Confident91 Ų9183.7 Ų83.775%0.75245%0.445SS*.PPolyproline II helixtrans-53.5147.8173.900000111.5R48A16-R48 PolarHBondContact O-NH2 2.95Å
17W97.2Very high88.2Confident42 Ų4283.2 Ų83.216%0.15945%0.446CS..PPolyproline II helixtrans-77.8131173.9-80.476.7000109.6E21 L25 L46 R48 S52 C53 R56W17-E21 HydrophobicContact CE3-CB 3.59Å; W17-E21 HydrophobicContact CZ3-CB 3.87Å; W17-L25 HydrophobicContact CH2-CD2 3.86Å; W17-L25 HydrophobicContact CZ3-CB 4.44Å; W17-L25 HydrophobicContact CZ3-CD2 3.87Å; W17-L46 HydrophobicContact CZ3-CD1 4.43Å; W17-L46 HydrophobicContact CZ3-CD2 4.49Å; W17-R48 HydrophobicContact CH2-CB 4.14Å; W17-R48 HydrophobicContact CH2-CG 3.76Å; W17-R48 HydrophobicContact CZ2-CB 4.27Å; W17-R48 HydrophobicContact CZ2-CG 3.89Å; W17-R48 HydrophobicContact CZ3-CG 4.33Å; W17-S52 WeakPolarHBondContact CZ2-OG 3.48Å; W17-S52 PolarHBondContact NE1-OG 3.22Å; W17-C53 HydrophobicContact CH2-CB 4.41Å; W17-R56 HydrophobicContact CD2-CB 4.03Å; W17-R56 HydrophobicContact CD2-CG 3.55Å; W17-R56 HydrophobicContact CE3-CB 4.48Å; W17-R56 HydrophobicContact CE3-CG 3.85Å; W17-R56 HydrophobicContact CG-CG 3.89Å; W17-R56 HydrophobicContact CH2-CB 4.23Å; W17-R56 HydrophobicContact CH2-CG 4.42Å; W17-R56 HydrophobicContact CZ2-CB 3.72Å; W17-R56 HydrophobicContact CZ2-CG 4.14Å; W17-R56 HydrophobicContact CZ3-CG 4.28Å
18T97.1Very high89.6Confident63 Ų6383.1 Ų83.139%0.38744%0.439SS..PPolyproline II helixtrans-83.9157.4172.256.70000110.5E20 E21 D22T18-E20 WeakPolarHBondContact CB-OE2 3.33Å; T18-E20 PolarHBondContact O-N 3.17Å; T18-E21 PolarHBondContact N-OE2 2.71Å; T18-E21 PolarHBondContact O-N 3.19Å; T18-E21 VanDerWaalsContact O-N 3.17Å; T18-E21 WeakPolarHBondContact OG1-CB 3.41Å; T18-E21 WeakPolarHBondContact OG1-CG 3.27Å; T18-E21 PolarHBondContact OG1-N 3.09Å; T18-E21 PolarHBondContact OG1-OE2 2.8Å; T18-D22 PolarHBondContact O-N 3.44Å
19K97.2Very high91.2Very high150 Ų15075.7 Ų75.765%0.65241%0.405SS*.Hα-helixtrans-60.8-38.2177.8-173.6-178.6175.7-174.60111E21 D22 D23K19-E21 VanDerWaalsContact C-N 3.32Å; K19-E21 PolarHBondContact O-N 3.13Å; K19-D22 WeakPolarHBondContact O-CB 3.43Å; K19-D22 PolarHBondContact O-N 3.49Å; K19-D23 WeakPolarHBondContact O-CB 3.47Å; K19-D23 VanDerWaalsContact O-CG 3.28Å; K19-D23 PolarHBondContact O-N 3.43Å
20E97.7Very high92.8Very high111 Ų11174.8 Ų74.852%0.51940%0.401SS..Hα-helixtrans-65.7-35.5178.3-59.769.6-150.400111.9T18 R24T18-E20 WeakPolarHBondContact CB-OE2 3.33Å; T18-E20 PolarHBondContact O-N 3.17Å; E20-R24 WeakPolarHBondContact O-CG 3.41Å; E20-R24 PolarHBondContact O-N 2.8Å; E20-R24 PolarHBondContact O-NE 3.47Å
21E97.9Very high94.4Very high8 Ų874.8 Ų74.84%0.03740%0.401CS..Hα-helixtrans-68.2-41.9172.2-74.5173.2124.400112W17 T18 K19 L25 L46 R48W17-E21 HydrophobicContact CE3-CB 3.59Å; W17-E21 HydrophobicContact CZ3-CB 3.87Å; T18-E21 PolarHBondContact N-OE2 2.71Å; T18-E21 PolarHBondContact O-N 3.19Å; T18-E21 VanDerWaalsContact O-N 3.17Å; T18-E21 WeakPolarHBondContact OG1-CB 3.41Å; T18-E21 WeakPolarHBondContact OG1-CG 3.27Å; T18-E21 PolarHBondContact OG1-N 3.09Å; T18-E21 PolarHBondContact OG1-OE2 2.8Å; K19-E21 VanDerWaalsContact C-N 3.32Å; K19-E21 PolarHBondContact O-N 3.13Å; E21-L25 WeakPolarHBondContact O-CB 3.34Å; E21-L25 PolarHBondContact O-N 2.85Å; E21-L46 HydrophobicContact CB-CD2 3.86Å; E21-L46 HydrophobicContact CG-CD2 3.93Å; E21-R48 IonicContact OE1-CZ 3.45Å; E21-R48 IonicContact OE1-NE 3.47Å; E21-R48 PolarHBondContact OE1-NE 3.2Å; E21-R48 IonicContact OE1-NH2 3.72Å; E21-R48 PolarHBondContact OE1-NH2 3.39Å; E21-R48 IonicContact OE2-CZ 2.77Å; E21-R48 IonicContact OE2-NE 2.8Å; E21-R48 IonicContact OE2-NH2 3.26Å; E21-R48 PolarHBondContact OE2-NH2 2.99Å
22D98.1Very high95.4Very high18 Ų1873.9 Ų73.910%0.09640%0.397CS..Hα-helixtrans-62.9-46.1176.6-73.1-23.9000111.2T18 K19 R24 L25 V26 R56 L61T18-D22 PolarHBondContact O-N 3.44Å; K19-D22 WeakPolarHBondContact O-CB 3.43Å; K19-D22 PolarHBondContact O-N 3.49Å; D22-R24 VanDerWaalsContact C-N 3.35Å; D22-R24 PolarHBondContact O-N 2.91Å; D22-L25 WeakPolarHBondContact O-CB 3.35Å; D22-L25 PolarHBondContact O-N 3.26Å; D22-L25 VanDerWaalsContact O-N 3.11Å; D22-V26 VanDerWaalsContact O-CG2 3.25Å; D22-V26 WeakPolarHBondContact O-CG2 3.25Å; D22-V26 PolarHBondContact O-N 3.13Å; D22-R56 WeakPolarHBondContact OD1-CG 3.46Å; D22-R56 IonicContact OD1-CZ 2.64Å; D22-R56 IonicContact OD1-NE 2.75Å; D22-R56 PolarHBondContact OD1-NE 3.36Å; D22-R56 IonicContact OD1-NH2 2.69Å; D22-R56 IonicContact OD2-CZ 3.14Å; D22-R56 IonicContact OD2-NE 3.45Å; D22-R56 PolarHBondContact OD2-NE 3.49Å; D22-R56 IonicContact OD2-NH2 3.14Å; D22-R56 PolarHBondContact OD2-NH2 3.09Å; D22-L61 HydrophobicContact CB-CD1 4.05Å; D22-L61 HydrophobicContact CB-CD2 3.82Å
23D98.1Very high96Very high90 Ų9073.9 Ų73.948%0.48140%0.404SS..Hα-helixtrans-60.6-43.2179.7-72-23.6000111.5K19 L25 V26 A27K19-D23 WeakPolarHBondContact O-CB 3.47Å; K19-D23 VanDerWaalsContact O-CG 3.28Å; K19-D23 PolarHBondContact O-N 3.43Å; D23-L25 PolarHBondContact O-N 3.48Å; D23-V26 PolarHBondContact O-N 3.04Å; D23-A27 VanDerWaalsContact O-CB 3.24Å; D23-A27 WeakPolarHBondContact O-CB 3.47Å; D23-A27 PolarHBondContact O-N 3.3Å
24R97.7Very high96.4Very high109 Ų10975.5 Ų75.541%0.41141%0.409SS..Hα-helixtrans-61.1-43.6173.4-78.3-173.6-68-105.1-1.7112.3E20 D22 Y28 L46E20-R24 WeakPolarHBondContact O-CG 3.41Å; E20-R24 PolarHBondContact O-N 2.8Å; E20-R24 PolarHBondContact O-NE 3.47Å; D22-R24 VanDerWaalsContact C-N 3.35Å; D22-R24 PolarHBondContact O-N 2.91Å; R24-Y28 WeakPolarHBondContact O-CB 3.21Å; R24-Y28 PolarHBondContact O-N 2.94Å; R24-L46 HydrophobicContact CB-CD2 3.99Å; R24-L46 HydrophobicContact CB-CG 4.28Å
25L98.1Very high96.7Very high0 Ų067.9 Ų67.90%038%0.382CS..Hα-helixtrans-63.6-46.9178.9-179.754.3000111.2W17 E21 D22 D23 Y28 I29 L40 L46 C53 R56 L61W17-L25 HydrophobicContact CH2-CD2 3.86Å; W17-L25 HydrophobicContact CZ3-CB 4.44Å; W17-L25 HydrophobicContact CZ3-CD2 3.87Å; E21-L25 WeakPolarHBondContact O-CB 3.34Å; E21-L25 PolarHBondContact O-N 2.85Å; D22-L25 WeakPolarHBondContact O-CB 3.35Å; D22-L25 PolarHBondContact O-N 3.26Å; D22-L25 VanDerWaalsContact O-N 3.11Å; D23-L25 PolarHBondContact O-N 3.48Å; L25-Y28 PolarHBondContact O-N 3.2Å; L25-I29 HydrophobicContact CD1-CD1 3.67Å; L25-I29 HydrophobicContact CD1-CG1 4.29Å; L25-I29 HydrophobicContact CG-CD1 4.06Å; L25-I29 WeakPolarHBondContact O-CG1 3.25Å; L25-I29 PolarHBondContact O-N 3.24Å; L25-I29 VanDerWaalsContact O-N 3.08Å; L25-L40 HydrophobicContact CD1-CD1 4.5Å; L25-L40 HydrophobicContact CD1-CD2 3.47Å; L25-L40 VanDerWaalsContact CD1-CD2 3.47Å; L25-L46 HydrophobicContact CB-CD1 3.92Å; L25-L46 HydrophobicContact CD1-CD1 4.24Å; L25-C53 HydrophobicContact CD1-CB 4.03Å; L25-C53 HydrophobicContact CD2-CB 4.32Å; L25-R56 HydrophobicContact CD2-CB 4.13Å; L25-R56 HydrophobicContact CD2-CG 4.18Å; L25-L61 HydrophobicContact CB-CD1 4.31Å; L25-L61 HydrophobicContact CD2-CD1 3.69Å; L25-L61 HydrophobicContact CG-CD1 4.13Å
26V97.9Very high96.8Very high30 Ų3070 Ų7018%0.18239%0.388CS..Hα-helixtrans-62-48.4177.7173.70000110.8D22 D23 Y28 I29 K30 W57 L61D22-V26 VanDerWaalsContact O-CG2 3.25Å; D22-V26 WeakPolarHBondContact O-CG2 3.25Å; D22-V26 PolarHBondContact O-N 3.13Å; D23-V26 PolarHBondContact O-N 3.04Å; V26-Y28 VanDerWaalsContact C-N 3.34Å; V26-Y28 PolarHBondContact O-N 3.22Å; V26-I29 PolarHBondContact O-N 2.96Å; V26-K30 HydrophobicContact CG1-CD 3.91Å; V26-K30 HydrophobicContact CG1-CG 4.3Å; V26-K30 WeakPolarHBondContact O-CB 3.39Å; V26-K30 WeakPolarHBondContact O-CG 3.3Å; V26-K30 PolarHBondContact O-N 3.39Å; V26-W57 HydrophobicContact CB-CZ3 4.43Å; V26-W57 HydrophobicContact CG2-CZ3 3.99Å; V26-L61 HydrophobicContact CG2-CB 4.21Å; V26-L61 HydrophobicContact CG2-CD1 4.12Å; V26-L61 HydrophobicContact CG2-CD2 4.5Å
27A97.7Very high96.8Very high58 Ų5868 Ų6848%0.47936%0.361SS..Hα-helixtrans-59.9-45-179.800000111.6D23 K30 A31D23-A27 VanDerWaalsContact O-CB 3.24Å; D23-A27 WeakPolarHBondContact O-CB 3.47Å; D23-A27 PolarHBondContact O-N 3.3Å; A27-K30 PolarHBondContact O-N 3.41Å; A27-A31 WeakPolarHBondContact O-CB 3.33Å; A27-A31 PolarHBondContact O-N 3.09Å; A27-A31 VanDerWaalsContact O-N 3.1Å
28Y98Very high96.6Very high43 Ų4374.9 Ų74.917%0.16939%0.386CS..Hα-helixtrans-61.3-47.2178-174.7-87.1000112.1R24 L25 V26 A31 H32 L40 A43 A44R24-Y28 WeakPolarHBondContact O-CB 3.21Å; R24-Y28 PolarHBondContact O-N 2.94Å; L25-Y28 PolarHBondContact O-N 3.2Å; V26-Y28 VanDerWaalsContact C-N 3.34Å; V26-Y28 PolarHBondContact O-N 3.22Å; Y28-A31 PolarHBondContact O-N 3.3Å; Y28-H32 HydrophobicContact CD1-CB 4.48Å; Y28-H32 AromaticContact CD2-CE1 3.91Å; Y28-H32 AromaticContact CD2-ND1 3.64Å; Y28-H32 HydrophobicContact CE1-CB 4.03Å; Y28-H32 AromaticContact CE2-CE1 3.77Å; Y28-H32 AromaticContact CE2-ND1 3.6Å; Y28-H32 AromaticContact CG-ND1 3.94Å; Y28-H32 AromaticContact CZ-CG 3.94Å; Y28-H32 AromaticContact CZ-ND1 3.87Å; Y28-H32 PolarHBondContact O-N 3Å; Y28-H32 PolarHBondContact O-ND1 3.46Å; Y28-L40 HydrophobicContact CD1-CD1 3.79Å; Y28-L40 HydrophobicContact CD1-CD2 4.27Å; Y28-L40 HydrophobicContact CD1-CG 3.56Å; Y28-L40 HydrophobicContact CE1-CB 4.22Å; Y28-L40 HydrophobicContact CE1-CD1 3.88Å; Y28-L40 HydrophobicContact CE1-CG 3.56Å; Y28-L40 HydrophobicContact CG-CG 4.49Å; Y28-A43 HydrophobicContact CD2-CB 4.45Å; Y28-A43 HydrophobicContact CE2-CB 3.45Å; Y28-A43 VanDerWaalsContact CE2-CB 3.45Å; Y28-A43 WeakPolarHBondContact OH-CB 3.44Å; Y28-A44 HydrophobicContact CD1-CB 4.49Å; Y28-A44 HydrophobicContact CD2-CB 3.78Å; Y28-A44 HydrophobicContact CG-CB 3.72Å
29I97.7Very high96.3Very high9 Ų975 Ų755%0.04639%0.39CS..Hα-helixtrans-66.7-38.8-179.4-70.4171000111.3L25 V26 A31 G33 E34 W37 L40 W57L25-I29 HydrophobicContact CD1-CD1 3.67Å; L25-I29 HydrophobicContact CD1-CG1 4.29Å; L25-I29 HydrophobicContact CG-CD1 4.06Å; L25-I29 WeakPolarHBondContact O-CG1 3.25Å; L25-I29 PolarHBondContact O-N 3.24Å; L25-I29 VanDerWaalsContact O-N 3.08Å; V26-I29 PolarHBondContact O-N 2.96Å; I29-A31 VanDerWaalsContact C-N 3.26Å; I29-A31 PolarHBondContact O-N 2.93Å; I29-G33 CarbonylContact O-C 3.52Å; I29-G33 WeakPolarHBondContact O-CA 3.44Å; I29-G33 PolarHBondContact O-N 3.1Å; I29-E34 HydrophobicContact CG2-CG 3.68Å; I29-W37 HydrophobicContact CD1-CH2 3.92Å; I29-W37 HydrophobicContact CD1-CZ3 3.99Å; I29-L40 HydrophobicContact CD1-CD1 4.39Å; I29-L40 HydrophobicContact CG1-CD1 3.98Å; I29-W57 HydrophobicContact CB-CH2 4.29Å; I29-W57 HydrophobicContact CB-CZ3 4.34Å; I29-W57 HydrophobicContact CD1-CB 4.22Å; I29-W57 HydrophobicContact CD1-CD2 3.41Å; I29-W57 VanDerWaalsContact CD1-CD2 3.41Å; I29-W57 HydrophobicContact CD1-CE3 3.42Å; I29-W57 VanDerWaalsContact CD1-CE3 3.42Å; I29-W57 HydrophobicContact CD1-CG 3.76Å; I29-W57 HydrophobicContact CD1-CH2 4.45Å; I29-W57 HydrophobicContact CD1-CZ2 4.45Å; I29-W57 HydrophobicContact CD1-CZ3 3.97Å; I29-W57 HydrophobicContact CG2-CD2 4.49Å; I29-W57 HydrophobicContact CG2-CH2 3.76Å; I29-W57 HydrophobicContact CG2-CZ2 3.61Å; I29-W57 HydrophobicContact CG2-CZ3 4.25Å
30K97Very high96.2Very high171 Ų17167.9 Ų67.974%0.74336%0.359SS*.Hα-helixtrans-60.9-36.6174.2-77.1179.7176.9178.90112.3V26 A27V26-K30 HydrophobicContact CG1-CD 3.91Å; V26-K30 HydrophobicContact CG1-CG 4.3Å; V26-K30 WeakPolarHBondContact O-CB 3.39Å; V26-K30 WeakPolarHBondContact O-CG 3.3Å; V26-K30 PolarHBondContact O-N 3.39Å; A27-K30 PolarHBondContact O-N 3.41Å
31A97.4Very high96.1Very high75 Ų7562.9 Ų62.962%0.6234%0.336SS*.Hα-helixtrans-82-34-178.700000114A27 Y28 I29A27-A31 WeakPolarHBondContact O-CB 3.33Å; A27-A31 PolarHBondContact O-N 3.09Å; A27-A31 VanDerWaalsContact O-N 3.1Å; Y28-A31 PolarHBondContact O-N 3.3Å; I29-A31 VanDerWaalsContact C-N 3.26Å; I29-A31 PolarHBondContact O-N 2.93Å
32H96.9Very high95.9Very high131 Ų13171.9 Ų71.961%0.60638%0.375SS*.Hα-helixtrans-118.9-4.9-170.2-55.686000114.3Y28Y28-H32 HydrophobicContact CD1-CB 4.48Å; Y28-H32 AromaticContact CD2-CE1 3.91Å; Y28-H32 AromaticContact CD2-ND1 3.64Å; Y28-H32 HydrophobicContact CE1-CB 4.03Å; Y28-H32 AromaticContact CE2-CE1 3.77Å; Y28-H32 AromaticContact CE2-ND1 3.6Å; Y28-H32 AromaticContact CG-ND1 3.94Å; Y28-H32 AromaticContact CZ-CG 3.94Å; Y28-H32 AromaticContact CZ-ND1 3.87Å; Y28-H32 PolarHBondContact O-N 3Å; Y28-H32 PolarHBondContact O-ND1 3.46Å
33G95.9Very high95.7Very high37 Ų3773.9 Ų73.938%0.38139%0.394SS..  trans83.1175-172.900000113.9I29I29-G33 CarbonylContact O-C 3.52Å; I29-G33 WeakPolarHBondContact O-CA 3.44Å; I29-G33 PolarHBondContact O-N 3.1Å
34E94.9Very high95.6Very high116 Ų11670.2 Ų70.254%0.54238%0.377SS..SBendtrans-82.2141.4176.5-62-173-169.800111.3I29 W57I29-E34 HydrophobicContact CG2-CG 3.68Å; E34-W57 HydrophobicContact CG-CZ2 4.36Å; E34-W57 PolarHBondContact OE1-NE1 2.84Å; E34-W57 PolarHBondContact OE2-NE1 3.34Å
35G93.6Very high95.4Very high21 Ų2167.7 Ų67.722%0.21638%0.384CS..  trans128.4-162.3174.600000112.8W37G35-W37 PolarHBondContact O-N 2.82Å
36C92.9Very high95.3Very high98 Ų9868.1 Ų68.166%0.66239%0.387SS*.  trans48.433.7-179.7-65.70000113.8R38 S39 L40C36-R38 PolarHBondContact O-N 3.5Å; C36-S39 PolarHBondContact O-N 2.86Å; C36-S39 PolarHBondContact O-OG 3.39Å; C36-S39 VanDerWaalsContact O-OG 3.14Å; C36-L40 PolarHBondContact O-N 3.47Å
37W94.9Very high95.1Very high48 Ų4870.4 Ų70.418%0.18240%0.4CS..THydrogen-bonded Turntrans-53.7-27.8-168.7-59.1107.2000113.8I29 G35 L40 P41 G50 C53 R54 W57I29-W37 HydrophobicContact CD1-CH2 3.92Å; I29-W37 HydrophobicContact CD1-CZ3 3.99Å; G35-W37 PolarHBondContact O-N 2.82Å; W37-L40 HydrophobicContact CE3-CD1 3.9Å; W37-L40 HydrophobicContact CZ3-CD1 3.86Å; W37-P41 WeakPolarHBondContact O-CD 3.4Å; W37-G50 WeakPolarHBondContact O-CA 3.33Å; W37-C53 HydrophobicContact CE3-CB 4.26Å; W37-C53 HydrophobicContact CZ3-CB 4.48Å; W37-R54 HydrophobicContact CB-CB 4.39Å; W37-R54 HydrophobicContact CD2-CB 3.51Å; W37-R54 HydrophobicContact CD2-CG 3.84Å; W37-R54 VanDerWaalsContact CE3-CA 3.48Å; W37-R54 HydrophobicContact CE3-CB 3.71Å; W37-R54 HydrophobicContact CE3-CG 4.39Å; W37-R54 HydrophobicContact CG-CB 3.81Å; W37-R54 HydrophobicContact CG-CG 4.13Å; W37-R54 HydrophobicContact CZ2-CB 4.41Å; W37-R54 HydrophobicContact CZ2-CG 4.08Å; W37-R54 HydrophobicContact CZ3-CB 4.24Å; W37-W57 HydrophobicContact CH2-CB 3.79Å; W37-W57 AromaticContact CH2-CD1 3.72Å; W37-W57 AromaticContact CH2-CG 3.83Å; W37-W57 HydrophobicContact CH2-CG 3.83Å; W37-W57 HydrophobicContact CZ3-CB 4.15Å
38R91.9Very high95Very high186 Ų18668.2 Ų68.270%0.70238%0.38SS*.THydrogen-bonded Turntrans-66.2-41176.7-72.9-176.3-78.6-169.1-2.6113.4C36C36-R38 PolarHBondContact O-N 3.5Å
39S92.1Very high94.8Very high67 Ų6767.3 Ų67.347%0.46938%0.379SS..THydrogen-bonded Turntrans-95.3-23.3-178.852.40000113.2C36 P41 K42 A43C36-S39 PolarHBondContact O-N 2.86Å; C36-S39 PolarHBondContact O-OG 3.39Å; C36-S39 VanDerWaalsContact O-OG 3.14Å; S39-P41 VanDerWaalsContact C-CD 3.46Å; S39-K42 PolarHBondContact O-N 2.94Å; S39-A43 PolarHBondContact O-N 3.16Å; S39-A43 VanDerWaalsContact O-N 3.17Å
40L95.1Very high94.6Very high0 Ų067 Ų670%038%0.379CS..Hα-helixtrans-48.6-48.7-177.5-176.2155.8000113.8L25 Y28 I29 C36 W37 K42 A43 A44 C53L25-L40 HydrophobicContact CD1-CD1 4.5Å; L25-L40 HydrophobicContact CD1-CD2 3.47Å; L25-L40 VanDerWaalsContact CD1-CD2 3.47Å; Y28-L40 HydrophobicContact CD1-CD1 3.79Å; Y28-L40 HydrophobicContact CD1-CD2 4.27Å; Y28-L40 HydrophobicContact CD1-CG 3.56Å; Y28-L40 HydrophobicContact CE1-CB 4.22Å; Y28-L40 HydrophobicContact CE1-CD1 3.88Å; Y28-L40 HydrophobicContact CE1-CG 3.56Å; Y28-L40 HydrophobicContact CG-CG 4.49Å; I29-L40 HydrophobicContact CD1-CD1 4.39Å; I29-L40 HydrophobicContact CG1-CD1 3.98Å; C36-L40 PolarHBondContact O-N 3.47Å; W37-L40 HydrophobicContact CE3-CD1 3.9Å; W37-L40 HydrophobicContact CZ3-CD1 3.86Å; L40-K42 PolarHBondContact O-N 2.97Å; L40-A43 PolarHBondContact O-N 3.35Å; L40-A44 HydrophobicContact CD2-CB 4.31Å; L40-A44 VanDerWaalsContact O-CB 3.3Å; L40-A44 WeakPolarHBondContact O-CB 3.33Å; L40-A44 PolarHBondContact O-N 3.17Å; L40-C53 HydrophobicContact CD2-CB 4.12Å
41P94.3Very high94.4Very high6 Ų666.4 Ų66.44%0.03938%0.376CS..Hα-helixtrans-60.7-44.6-174.9-1825.5000112.5W37 S39 A43 A44 G45 L46 R48W37-P41 WeakPolarHBondContact O-CD 3.4Å; S39-P41 VanDerWaalsContact C-CD 3.46Å; P41-A43 VanDerWaalsContact C-N 3.34Å; P41-A43 PolarHBondContact O-N 3.25Å; P41-A44 PolarHBondContact O-N 3.47Å; P41-G45 PolarHBondContact O-N 3.28Å; P41-L46 HydrophobicContact CB-CB 4.27Å; P41-L46 PolarHBondContact O-N 2.95Å; P41-R48 WeakPolarHBondContact CB-O 3.26Å; P41-R48 WeakPolarHBondContact CG-O 3.36Å
42K93.2Very high94.3Very high196 Ų19664 Ų6485%0.85236%0.355SS*.Hα-helixtrans-63.3-42.6178-174.9176.1-179.8176.90111.1S39 L40 A44 G45S39-K42 PolarHBondContact O-N 2.94Å; L40-K42 PolarHBondContact O-N 2.97Å; K42-A44 VanDerWaalsContact C-N 3.34Å; K42-G45 PolarHBondContact O-N 3.17Å
43A94.6Very high94.3Very high60 Ų6057.8 Ų57.850%0.49633%0.326SS..Hα-helixtrans-69.7-30.7179.700000113Y28 S39 L40 P41 G45Y28-A43 HydrophobicContact CD2-CB 4.45Å; Y28-A43 HydrophobicContact CE2-CB 3.45Å; Y28-A43 VanDerWaalsContact CE2-CB 3.45Å; Y28-A43 WeakPolarHBondContact OH-CB 3.44Å; S39-A43 PolarHBondContact O-N 3.16Å; S39-A43 VanDerWaalsContact O-N 3.17Å; L40-A43 PolarHBondContact O-N 3.35Å; P41-A43 VanDerWaalsContact C-N 3.34Å; P41-A43 PolarHBondContact O-N 3.25Å; A43-G45 VanDerWaalsContact C-N 3.32Å
44A95.6Very high94.4Very high14 Ų1462.1 Ų62.112%0.11633%0.331CS..THydrogen-bonded Turntrans-84.5-0.2176.200000113.9Y28 L40 P41 K42 L46Y28-A44 HydrophobicContact CD1-CB 4.49Å; Y28-A44 HydrophobicContact CD2-CB 3.78Å; Y28-A44 HydrophobicContact CG-CB 3.72Å; L40-A44 HydrophobicContact CD2-CB 4.31Å; L40-A44 VanDerWaalsContact O-CB 3.3Å; L40-A44 WeakPolarHBondContact O-CB 3.33Å; L40-A44 PolarHBondContact O-N 3.17Å; P41-A44 PolarHBondContact O-N 3.47Å; K42-A44 VanDerWaalsContact C-N 3.34Å; A44-L46 VanDerWaalsContact C-N 3.3Å; A44-L46 HydrophobicContact CB-CD1 3.91Å; A44-L46 HydrophobicContact CB-CG 4.11Å; A44-L46 PolarHBondContact O-N 3.3Å
45G94.9Very high94.4Very high55 Ų5561 Ų6157%0.56733%0.328SS*.THydrogen-bonded Turntrans67.128.9-174.700000113.7P41 K42 A43P41-G45 PolarHBondContact O-N 3.28Å; K42-G45 PolarHBondContact O-N 3.17Å; A43-G45 VanDerWaalsContact C-N 3.32Å
46L95.2Very high94.7Very high10 Ų1062.2 Ų62.25%0.05233%0.326CS..  trans-99.9132.8-179.8-71.4168.4000111.9W17 E21 R24 L25 P41 A44 R48W17-L46 HydrophobicContact CZ3-CD1 4.43Å; W17-L46 HydrophobicContact CZ3-CD2 4.49Å; E21-L46 HydrophobicContact CB-CD2 3.86Å; E21-L46 HydrophobicContact CG-CD2 3.93Å; R24-L46 HydrophobicContact CB-CD2 3.99Å; R24-L46 HydrophobicContact CB-CG 4.28Å; L25-L46 HydrophobicContact CB-CD1 3.92Å; L25-L46 HydrophobicContact CD1-CD1 4.24Å; P41-L46 HydrophobicContact CB-CB 4.27Å; P41-L46 PolarHBondContact O-N 2.95Å; A44-L46 VanDerWaalsContact C-N 3.3Å; A44-L46 HydrophobicContact CB-CD1 3.91Å; A44-L46 HydrophobicContact CB-CG 4.11Å; A44-L46 PolarHBondContact O-N 3.3Å; L46-R48 HydrophobicContact CB-CB 4.44Å; L46-R48 PolarHBondContact O-N 3.01Å
47V93.9Very high94.9Very high77 Ų7758.1 Ų58.147%0.46730%0.297SS..SBendtrans-86.449.5174.1-167.70000109.9H11 N13H11-V47 WeakPolarHBondContact O-CG1 3.46Å; N13-V47 WeakPolarHBondContact CB-O 3.25Å; N13-V47 PolarHBondContact N-O 2.86Å
48R94.6Very high95Very high12 Ų1257.6 Ų57.65%0.04530%0.297CS..SBendtrans-130.1159.2-177.1-66.8-69.7-177.6154.77.2109.8N13 G15 A16 W17 E21 P41 L46N13-R48 VanDerWaalsContact O-CD 3.22Å; N13-R48 WeakPolarHBondContact O-CD 3.25Å; N13-R48 PolarHBondContact O-NH1 3.44Å; G15-R48 PolarHBondContact O-NH1 2.76Å; G15-R48 PolarHBondContact O-NH2 3.44Å; A16-R48 PolarHBondContact O-NH2 2.95Å; W17-R48 HydrophobicContact CH2-CB 4.14Å; W17-R48 HydrophobicContact CH2-CG 3.76Å; W17-R48 HydrophobicContact CZ2-CB 4.27Å; W17-R48 HydrophobicContact CZ2-CG 3.89Å; W17-R48 HydrophobicContact CZ3-CG 4.33Å; E21-R48 IonicContact OE1-CZ 3.45Å; E21-R48 IonicContact OE1-NE 3.47Å; E21-R48 PolarHBondContact OE1-NE 3.2Å; E21-R48 IonicContact OE1-NH2 3.72Å; E21-R48 PolarHBondContact OE1-NH2 3.39Å; E21-R48 IonicContact OE2-CZ 2.77Å; E21-R48 IonicContact OE2-NE 2.8Å; E21-R48 IonicContact OE2-NH2 3.26Å; E21-R48 PolarHBondContact OE2-NH2 2.99Å; P41-R48 WeakPolarHBondContact CB-O 3.26Å; P41-R48 WeakPolarHBondContact CG-O 3.36Å; L46-R48 HydrophobicContact CB-CB 4.44Å; L46-R48 PolarHBondContact O-N 3.01Å
49C93.5Very high95.2Very high24 Ų2449.4 Ų49.416%0.16227%0.267CS..  trans-87158.4171.672.50000111.5C7 K51 S52 C53C7-C49 HydrophobicContact CB-CB 3.96Å; C7-C49 WeakPolarHBondContact SG-CB 3.41Å; C49-K51 VanDerWaalsContact C-N 3.27Å; C49-K51 PolarHBondContact O-N 3.31Å; C49-S52 WeakPolarHBondContact O-CA 3.4Å; C49-S52 WeakPolarHBondContact O-CB 3.23Å; C49-S52 PolarHBondContact O-N 2.71Å; C49-S52 PolarHBondContact SG-N 3.14Å; C49-S52 VanDerWaalsContact SG-N 3.45Å; C49-C53 PolarHBondContact O-N 3.12Å; C49-C53 VanDerWaalsContact O-N 3.08Å
50G93.9Very high95.5Very high3 Ų351.5 Ų51.53%0.03127%0.266CS..Hα-helixtrans-57.4-38-178.900000114.9W37 S52 C53 R54W37-G50 WeakPolarHBondContact O-CA 3.33Å; G50-S52 VanDerWaalsContact C-N 3.3Å; G50-S52 PolarHBondContact O-N 3.36Å; G50-C53 PolarHBondContact O-N 3.49Å; G50-R54 WeakPolarHBondContact O-CB 3.36Å; G50-R54 PolarHBondContact O-N 3.24Å
51K93.5Very high95.6Very high158 Ų15853.1 Ų53.169%0.68727%0.274SS*.Hα-helixtrans-61-40.7175-176.1178179.6-179.20111.5C49 L55C49-K51 VanDerWaalsContact C-N 3.27Å; C49-K51 PolarHBondContact O-N 3.31Å; K51-L55 WeakPolarHBondContact O-CB 3.4Å; K51-L55 PolarHBondContact O-N 3.33Å
52S95.2Very high95.6Very high26 Ų2656.3 Ų56.318%0.18229%0.285CS..Hα-helixtrans-66.4-48178.9-168.90000110.7W17 C49 G50 R54 L55 R56W17-S52 WeakPolarHBondContact CZ2-OG 3.48Å; W17-S52 PolarHBondContact NE1-OG 3.22Å; C49-S52 WeakPolarHBondContact O-CA 3.4Å; C49-S52 WeakPolarHBondContact O-CB 3.23Å; C49-S52 PolarHBondContact O-N 2.71Å; C49-S52 PolarHBondContact SG-N 3.14Å; C49-S52 VanDerWaalsContact SG-N 3.45Å; G50-S52 VanDerWaalsContact C-N 3.3Å; G50-S52 PolarHBondContact O-N 3.36Å; S52-R54 PolarHBondContact O-N 3.02Å; S52-L55 PolarHBondContact O-N 3.41Å; S52-R56 WeakPolarHBondContact O-CB 3.39Å; S52-R56 PolarHBondContact O-N 3.49Å
53C97Very high95.7Very high0 Ų052.6 Ų52.60%028%0.282CS..Hα-helixtrans-58.2-47.2176.4-64.40000112.1W17 L25 W37 L40 C49 G50 L55 R56 W57W17-C53 HydrophobicContact CH2-CB 4.41Å; L25-C53 HydrophobicContact CD1-CB 4.03Å; L25-C53 HydrophobicContact CD2-CB 4.32Å; W37-C53 HydrophobicContact CE3-CB 4.26Å; W37-C53 HydrophobicContact CZ3-CB 4.48Å; L40-C53 HydrophobicContact CD2-CB 4.12Å; C49-C53 PolarHBondContact O-N 3.12Å; C49-C53 VanDerWaalsContact O-N 3.08Å; G50-C53 PolarHBondContact O-N 3.49Å; C53-L55 PolarHBondContact O-N 2.87Å; C53-R56 PolarHBondContact O-N 3.07Å; C53-W57 WeakPolarHBondContact O-CB 3.32Å; C53-W57 PolarHBondContact O-N 3.49Å
54R97.4Very high95.7Very high127 Ų12753.7 Ų53.748%0.47928%0.279SS..Hα-helixtrans-57.7-49.6176.9-176177179.4-940.6111.4W37 G50 S52 R56 W57 I58W37-R54 HydrophobicContact CB-CB 4.39Å; W37-R54 HydrophobicContact CD2-CB 3.51Å; W37-R54 HydrophobicContact CD2-CG 3.84Å; W37-R54 VanDerWaalsContact CE3-CA 3.48Å; W37-R54 HydrophobicContact CE3-CB 3.71Å; W37-R54 HydrophobicContact CE3-CG 4.39Å; W37-R54 HydrophobicContact CG-CB 3.81Å; W37-R54 HydrophobicContact CG-CG 4.13Å; W37-R54 HydrophobicContact CZ2-CB 4.41Å; W37-R54 HydrophobicContact CZ2-CG 4.08Å; W37-R54 HydrophobicContact CZ3-CB 4.24Å; G50-R54 WeakPolarHBondContact O-CB 3.36Å; G50-R54 PolarHBondContact O-N 3.24Å; S52-R54 PolarHBondContact O-N 3.02Å; R54-R56 VanDerWaalsContact C-N 3.33Å; R54-R56 PolarHBondContact O-N 3.01Å; R54-W57 PolarHBondContact O-N 3.14Å; R54-I58 HydrophobicContact CG-CG2 4.4Å; R54-I58 WeakPolarHBondContact O-CG1 3.35Å; R54-I58 WeakPolarHBondContact O-CG2 3.41Å; R54-I58 PolarHBondContact O-N 3.46Å
55L96.3Very high95.7Very high93 Ų9353.6 Ų53.649%0.48728%0.277SS..Hα-helixtrans-63.5-40.7-177.9-172.168.6000111.5K51 S52 C53 I58 N59K51-L55 WeakPolarHBondContact O-CB 3.4Å; K51-L55 PolarHBondContact O-N 3.33Å; S52-L55 PolarHBondContact O-N 3.41Å; C53-L55 PolarHBondContact O-N 2.87Å; L55-I58 HydrophobicContact CD1-CD1 4.44Å; L55-N59 WeakPolarHBondContact CD1-ND2 3.4Å; L55-N59 WeakPolarHBondContact O-CB 3.33Å; L55-N59 PolarHBondContact O-N 3.28Å
56R98Very high95.8Very high47 Ų4755.5 Ų55.518%0.17727%0.269CS..Hα-helixtrans-62.9-46.8176.7-175.262.8175.3171.6-4.4111.1W17 D22 L25 S52 C53 R54 Y60 L61W17-R56 HydrophobicContact CD2-CB 4.03Å; W17-R56 HydrophobicContact CD2-CG 3.55Å; W17-R56 HydrophobicContact CE3-CB 4.48Å; W17-R56 HydrophobicContact CE3-CG 3.85Å; W17-R56 HydrophobicContact CG-CG 3.89Å; W17-R56 HydrophobicContact CH2-CB 4.23Å; W17-R56 HydrophobicContact CH2-CG 4.42Å; W17-R56 HydrophobicContact CZ2-CB 3.72Å; W17-R56 HydrophobicContact CZ2-CG 4.14Å; W17-R56 HydrophobicContact CZ3-CG 4.28Å; D22-R56 WeakPolarHBondContact OD1-CG 3.46Å; D22-R56 IonicContact OD1-CZ 2.64Å; D22-R56 IonicContact OD1-NE 2.75Å; D22-R56 PolarHBondContact OD1-NE 3.36Å; D22-R56 IonicContact OD1-NH2 2.69Å; D22-R56 IonicContact OD2-CZ 3.14Å; D22-R56 IonicContact OD2-NE 3.45Å; D22-R56 PolarHBondContact OD2-NE 3.49Å; D22-R56 IonicContact OD2-NH2 3.14Å; D22-R56 PolarHBondContact OD2-NH2 3.09Å; L25-R56 HydrophobicContact CD2-CB 4.13Å; L25-R56 HydrophobicContact CD2-CG 4.18Å; S52-R56 WeakPolarHBondContact O-CB 3.39Å; S52-R56 PolarHBondContact O-N 3.49Å; C53-R56 PolarHBondContact O-N 3.07Å; R54-R56 VanDerWaalsContact C-N 3.33Å; R54-R56 PolarHBondContact O-N 3.01Å; R56-Y60 VanDerWaalsContact NH1-CG 3.27Å; R56-Y60 WeakPolarHBondContact O-CA 3.34Å; R56-Y60 WeakPolarHBondContact O-CB 3.19Å; R56-Y60 PolarHBondContact O-N 3.33Å; R56-L61 HydrophobicContact CG-CD1 3.72Å; R56-L61 HydrophobicContact CG-CG 4.08Å; R56-L61 PolarHBondContact O-N 2.85Å
57W98Very high95.7Very high12 Ų1262.4 Ų62.45%0.04530%0.295CS..Iπ-helixtrans-58.3-58.7178.7-178.6-107000112V26 I29 E34 W37 C53 R54 N59 L61 R62V26-W57 HydrophobicContact CB-CZ3 4.43Å; V26-W57 HydrophobicContact CG2-CZ3 3.99Å; I29-W57 HydrophobicContact CB-CH2 4.29Å; I29-W57 HydrophobicContact CB-CZ3 4.34Å; I29-W57 HydrophobicContact CD1-CB 4.22Å; I29-W57 HydrophobicContact CD1-CD2 3.41Å; I29-W57 VanDerWaalsContact CD1-CD2 3.41Å; I29-W57 HydrophobicContact CD1-CE3 3.42Å; I29-W57 VanDerWaalsContact CD1-CE3 3.42Å; I29-W57 HydrophobicContact CD1-CG 3.76Å; I29-W57 HydrophobicContact CD1-CH2 4.45Å; I29-W57 HydrophobicContact CD1-CZ2 4.45Å; I29-W57 HydrophobicContact CD1-CZ3 3.97Å; I29-W57 HydrophobicContact CG2-CD2 4.49Å; I29-W57 HydrophobicContact CG2-CH2 3.76Å; I29-W57 HydrophobicContact CG2-CZ2 3.61Å; I29-W57 HydrophobicContact CG2-CZ3 4.25Å; E34-W57 HydrophobicContact CG-CZ2 4.36Å; E34-W57 PolarHBondContact OE1-NE1 2.84Å; E34-W57 PolarHBondContact OE2-NE1 3.34Å; W37-W57 HydrophobicContact CH2-CB 3.79Å; W37-W57 AromaticContact CH2-CD1 3.72Å; W37-W57 AromaticContact CH2-CG 3.83Å; W37-W57 HydrophobicContact CH2-CG 3.83Å; W37-W57 HydrophobicContact CZ3-CB 4.15Å; C53-W57 WeakPolarHBondContact O-CB 3.32Å; C53-W57 PolarHBondContact O-N 3.49Å; R54-W57 PolarHBondContact O-N 3.14Å; W57-N59 VanDerWaalsContact C-N 3.3Å; W57-N59 PolarHBondContact O-N 2.89Å; W57-L61 HydrophobicContact CD2-CB 4.46Å; W57-L61 HydrophobicContact CE3-CB 3.6Å; W57-L61 HydrophobicContact CE3-CD1 4.4Å; W57-L61 HydrophobicContact CZ3-CB 3.97Å; W57-L61 PolarHBondContact O-N 3.18Å; W57-L61 VanDerWaalsContact O-N 3.08Å; W57-R62 HydrophobicContact CZ2-CG 4.26Å; W57-R62 PolarHBondContact O-N 2.92Å
58I96.8Very high95.7Very high37 Ų3761.3 Ų61.319%0.1930%0.299CS..Iπ-helixtrans-66.7-27.7-171.467.9-176.8000113.9R54 L55 T100R54-I58 HydrophobicContact CG-CG2 4.4Å; R54-I58 WeakPolarHBondContact O-CG1 3.35Å; R54-I58 WeakPolarHBondContact O-CG2 3.41Å; R54-I58 PolarHBondContact O-N 3.46Å; L55-I58 HydrophobicContact CD1-CD1 4.44Å; I58-T100 WeakPolarHBondContact O-CG2 3.39Å
59N97.2Very high95.8Very high13 Ų1368 Ų687%0.0734%0.336CS..Iπ-helixtrans-101.4-22.7-176.2-69.9-20.8000113.9L55 W57 L65L55-N59 WeakPolarHBondContact CD1-ND2 3.4Å; L55-N59 WeakPolarHBondContact O-CB 3.33Å; L55-N59 PolarHBondContact O-N 3.28Å; W57-N59 VanDerWaalsContact C-N 3.3Å; W57-N59 PolarHBondContact O-N 2.89Å; N59-L65 VanDerWaalsContact C-CD1 3.48Å
60Y96.7Very high96Very high111 Ų11168.5 Ų68.544%0.43534%0.335SS..Iπ-helixtrans-135.9-23.6-169.2-61.4-83.6000115.8R56 R67R56-Y60 VanDerWaalsContact NH1-CG 3.27Å; R56-Y60 WeakPolarHBondContact O-CA 3.34Å; R56-Y60 WeakPolarHBondContact O-CB 3.19Å; R56-Y60 PolarHBondContact O-N 3.33Å; Y60-R67 PolarHBondContact O-NH2 3.44Å
61L97.1Very high96.1Very high35 Ų3571.4 Ų71.418%0.18335%0.352CS..Iπ-helixtrans-115-16.8-172.8-57.9175.6000114.1D22 L25 V26 R56 W57D22-L61 HydrophobicContact CB-CD1 4.05Å; D22-L61 HydrophobicContact CB-CD2 3.82Å; L25-L61 HydrophobicContact CB-CD1 4.31Å; L25-L61 HydrophobicContact CD2-CD1 3.69Å; L25-L61 HydrophobicContact CG-CD1 4.13Å; V26-L61 HydrophobicContact CG2-CB 4.21Å; V26-L61 HydrophobicContact CG2-CD1 4.12Å; V26-L61 HydrophobicContact CG2-CD2 4.5Å; R56-L61 HydrophobicContact CG-CD1 3.72Å; R56-L61 HydrophobicContact CG-CG 4.08Å; R56-L61 PolarHBondContact O-N 2.85Å; W57-L61 HydrophobicContact CD2-CB 4.46Å; W57-L61 HydrophobicContact CE3-CB 3.6Å; W57-L61 HydrophobicContact CE3-CD1 4.4Å; W57-L61 HydrophobicContact CZ3-CB 3.97Å; W57-L61 PolarHBondContact O-N 3.18Å; W57-L61 VanDerWaalsContact O-N 3.08Å
62R95.7Very high96.2Very high72 Ų7270.9 Ų70.927%0.27235%0.352SS..  trans-62132.6-179.3-153.6177.466.5176.29.4110.2W57 D64 L65W57-R62 HydrophobicContact CZ2-CG 4.26Å; W57-R62 PolarHBondContact O-N 2.92Å; R62-D64 VanDerWaalsContact C-N 3.31Å; R62-D64 WeakPolarHBondContact CB-OD1 3.45Å; R62-D64 WeakPolarHBondContact CD-OD1 3.22Å; R62-D64 WeakPolarHBondContact CG-OD1 3.5Å; R62-D64 IonicContact CZ-OD1 4Å; R62-D64 IonicContact CZ-OD2 3.24Å; R62-D64 VanDerWaalsContact NE-CG 3.27Å; R62-D64 IonicContact NE-OD1 3.77Å; R62-D64 PolarHBondContact NE-OD1 3.06Å; R62-D64 IonicContact NE-OD2 3.23Å; R62-D64 PolarHBondContact NE-OD2 2.99Å; R62-D64 VanDerWaalsContact NE-OD2 3.14Å; R62-D64 IonicContact NH2-OD1 3.44Å; R62-D64 PolarHBondContact NH2-OD1 3.14Å; R62-D64 IonicContact NH2-OD2 3.54Å; R62-D64 PolarHBondContact NH2-OD2 3.25Å; R62-D64 PolarHBondContact O-N 2.93Å; R62-L65 HydrophobicContact CB-CD1 4.04Å; R62-L65 HydrophobicContact CB-CG 4.02Å; R62-L65 WeakPolarHBondContact O-CB 3.48Å; R62-L65 VanDerWaalsContact O-CG 3.31Å; R62-L65 WeakPolarHBondContact O-CG 3.32Å; R62-L65 PolarHBondContact O-N 3.13Å
63P95.3Very high96.3Very high119 Ų11976 Ų7677%0.77337%0.373SS*.THydrogen-bonded Turntrans-71.9-19.6-169.525.9-35.9000115L65P63-L65 VanDerWaalsContact C-N 3.27Å; P63-L65 PolarHBondContact O-N 3.31Å
64D94.3Very high96.4Very high83 Ų8376.6 Ų76.644%0.44438%0.376SS..THydrogen-bonded Turntrans-83.91.3178.968.3-31.1000113.3R62 G98R62-D64 VanDerWaalsContact C-N 3.31Å; R62-D64 WeakPolarHBondContact CB-OD1 3.45Å; R62-D64 WeakPolarHBondContact CD-OD1 3.22Å; R62-D64 WeakPolarHBondContact CG-OD1 3.5Å; R62-D64 IonicContact CZ-OD1 4Å; R62-D64 IonicContact CZ-OD2 3.24Å; R62-D64 VanDerWaalsContact NE-CG 3.27Å; R62-D64 IonicContact NE-OD1 3.77Å; R62-D64 PolarHBondContact NE-OD1 3.06Å; R62-D64 IonicContact NE-OD2 3.23Å; R62-D64 PolarHBondContact NE-OD2 2.99Å; R62-D64 VanDerWaalsContact NE-OD2 3.14Å; R62-D64 IonicContact NH2-OD1 3.44Å; R62-D64 PolarHBondContact NH2-OD1 3.14Å; R62-D64 IonicContact NH2-OD2 3.54Å; R62-D64 PolarHBondContact NH2-OD2 3.25Å; R62-D64 PolarHBondContact O-N 2.93Å; D64-G98 WeakPolarHBondContact O-CA 3.48Å
65L95.9Very high96.3Very high12 Ų1270.6 Ų70.66%0.06335%0.353CS..PPolyproline II helixtrans-75.9126.8177.2-62.8177.9000110.6N59 R62 P63 T100N59-L65 VanDerWaalsContact C-CD1 3.48Å; R62-L65 HydrophobicContact CB-CD1 4.04Å; R62-L65 HydrophobicContact CB-CG 4.02Å; R62-L65 WeakPolarHBondContact O-CB 3.48Å; R62-L65 VanDerWaalsContact O-CG 3.31Å; R62-L65 WeakPolarHBondContact O-CG 3.32Å; R62-L65 PolarHBondContact O-N 3.13Å; P63-L65 VanDerWaalsContact C-N 3.27Å; P63-L65 PolarHBondContact O-N 3.31Å; L65-T100 HydrophobicContact CD2-CG2 3.45Å; L65-T100 VanDerWaalsContact CD2-CG2 3.45Å
66K96Very high96.4Very high94 Ų9472.4 Ų72.441%0.40936%0.359SS..PPolyproline II helixtrans-71.9134.7174-73.1-179.6179.9179.10110.3E74 P97 G98K66-E74 IonicContact NZ-OE1 2.67Å; K66-E74 PolarHBondContact NZ-OE1 2.64Å; K66-P97 VanDerWaalsContact CE-O 3.28Å; K66-P97 WeakPolarHBondContact CE-O 3.22Å; K66-G98 PolarHBondContact N-O 3.44Å
67R94.2Very high96.4Very high156 Ų15673 Ų7359%0.58937%0.366SS*.PPolyproline II helixtrans-101.7138.6169.4-57.2-55.5179.9-167.2-3.9109.6Y60Y60-R67 PolarHBondContact O-NH2 3.44Å
68G93.6Very high96.4Very high54 Ų5472.5 Ų72.556%0.55736%0.364SS*.SBendtrans114.4-179.7179.200000113.7R99G68-R99 PolarHBondContact O-NH1 2.92Å
69N95.8Very high96.4Very high153 Ų15372.1 Ų72.182%0.81836%0.362SS*.PPolyproline II helixtrans-67157.5-174.3-61.7-23.1000111.8R99N69-R99 PolarHBondContact O-NH2 3.5Å
70F97.4Very high96.5Very high34 Ų3478.1 Ų78.115%0.14939%0.387CS..PPolyproline II helixtrans-69.1139.1169.6-75.9-98.8000109.8E74 I78 R99 E103 I104 Y107F70-E74 WeakPolarHBondContact CA-OE2 3.45Å; F70-E74 HydrophobicContact CD1-CB 4.05Å; F70-I78 HydrophobicContact CD1-CD1 3.7Å; F70-I78 HydrophobicContact CE1-CD1 3.65Å; F70-R99 HydrophobicContact CE1-CG 4Å; F70-R99 HydrophobicContact CZ-CG 4.48Å; F70-E103 HydrophobicContact CZ-CB 4.07Å; F70-I104 HydrophobicContact CE1-CG1 4.23Å; F70-I104 HydrophobicContact CZ-CG1 4.4Å; F70-Y107 HydrophobicContact CB-CD1 4.19Å; F70-Y107 HydrophobicContact CB-CD2 4.18Å; F70-Y107 HydrophobicContact CB-CE1 3.77Å; F70-Y107 HydrophobicContact CB-CE2 3.77Å; F70-Y107 HydrophobicContact CB-CG 4.39Å; F70-Y107 AromaticContact CD1-CD1 3.95Å; F70-Y107 HydrophobicContact CD1-CD1 3.95Å; F70-Y107 HydrophobicContact CD1-CE1 4.24Å; F70-Y107 HydrophobicContact CD1-CG 4.25Å; F70-Y107 AromaticContact CD2-CD1 3.89Å; F70-Y107 HydrophobicContact CD2-CD1 3.89Å; F70-Y107 AromaticContact CD2-CD2 3.32Å; F70-Y107 HydrophobicContact CD2-CD2 3.32Å; F70-Y107 HydrophobicContact CD2-CE1 4.31Å; F70-Y107 AromaticContact CD2-CE2 3.8Å; F70-Y107 HydrophobicContact CD2-CE2 3.8Å; F70-Y107 AromaticContact CD2-CG 3.39Å; F70-Y107 HydrophobicContact CD2-CG 3.39Å; F70-Y107 HydrophobicContact CE1-CD1 4.3Å; F70-Y107 HydrophobicContact CE1-CG 4.42Å; F70-Y107 VanDerWaalsContact CE2-CB 3.49Å; F70-Y107 HydrophobicContact CE2-CD1 4.25Å; F70-Y107 AromaticContact CE2-CD2 3.86Å; F70-Y107 HydrophobicContact CE2-CD2 3.86Å; F70-Y107 AromaticContact CE2-CG 3.6Å; F70-Y107 HydrophobicContact CE2-CG 3.6Å; F70-Y107 AromaticContact CG-CD1 3.73Å; F70-Y107 HydrophobicContact CG-CD1 3.73Å; F70-Y107 AromaticContact CG-CD2 3.86Å; F70-Y107 HydrophobicContact CG-CD2 3.86Å; F70-Y107 AromaticContact CG-CE1 3.85Å; F70-Y107 HydrophobicContact CG-CE1 3.85Å; F70-Y107 AromaticContact CG-CE2 3.97Å; F70-Y107 HydrophobicContact CG-CE2 3.97Å; F70-Y107 AromaticContact CG-CG 3.75Å; F70-Y107 HydrophobicContact CG-CG 3.75Å; F70-Y107 AromaticContact CG-CZ 3.99Å; F70-Y107 HydrophobicContact CZ-CD1 4.44Å; F70-Y107 HydrophobicContact CZ-CG 4.11Å
71T97Very high96.5Very high63 Ų6373.9 Ų73.939%0.38737%0.373SS..PPolyproline II helixtrans-79.7165.3173.579.10000110.8E73 E74 D75T71-E73 VanDerWaalsContact C-N 3.26Å; T71-E73 WeakPolarHBondContact CB-OE2 3.18Å; T71-E73 PolarHBondContact O-N 3.44Å; T71-E73 PolarHBondContact OG1-N 2.91Å; T71-E73 PolarHBondContact OG1-OE2 3.33Å; T71-E74 PolarHBondContact N-OE2 2.84Å; T71-E74 VanDerWaalsContact N-OE2 3.13Å; T71-E74 PolarHBondContact O-N 3.07Å; T71-E74 WeakPolarHBondContact OG1-CG 3.44Å; T71-E74 PolarHBondContact OG1-N 3.16Å; T71-D75 PolarHBondContact O-N 3.19Å
72E96.2Very high96.6Very high147 Ų14772.8 Ų72.869%0.68737%0.366SS*.Hα-helixtrans-63.2-36176.5-64.8-167.6160.100111.6D75 E76E72-D75 WeakPolarHBondContact O-CB 3.38Å; E72-D75 PolarHBondContact O-N 2.98Å; E72-E76 WeakPolarHBondContact O-CG 3.25Å; E72-E76 PolarHBondContact O-N 2.8Å
73E97.4Very high96.6Very high133 Ų13372.3 Ų72.362%0.62137%0.374SS*.Hα-helixtrans-66.2-39.8175.6-52.478.1-170.900111.5T71 D75 L77T71-E73 VanDerWaalsContact C-N 3.26Å; T71-E73 WeakPolarHBondContact CB-OE2 3.18Å; T71-E73 PolarHBondContact O-N 3.44Å; T71-E73 PolarHBondContact OG1-N 2.91Å; T71-E73 PolarHBondContact OG1-OE2 3.33Å; E73-D75 VanDerWaalsContact C-N 3.35Å; E73-L77 VanDerWaalsContact O-CB 3.28Å; E73-L77 WeakPolarHBondContact O-CB 3.28Å; E73-L77 PolarHBondContact O-N 3.44Å
74E97.8Very high96.7Very high13 Ų1372.6 Ų72.66%0.06137%0.369CS..Hα-helixtrans-64.6-40.6173.9-69.8-179.6144.400110.9K66 F70 T71 L77 I78 L96 R99K66-E74 IonicContact NZ-OE1 2.67Å; K66-E74 PolarHBondContact NZ-OE1 2.64Å; F70-E74 WeakPolarHBondContact CA-OE2 3.45Å; F70-E74 HydrophobicContact CD1-CB 4.05Å; T71-E74 PolarHBondContact N-OE2 2.84Å; T71-E74 VanDerWaalsContact N-OE2 3.13Å; T71-E74 PolarHBondContact O-N 3.07Å; T71-E74 WeakPolarHBondContact OG1-CG 3.44Å; T71-E74 PolarHBondContact OG1-N 3.16Å; E74-L77 PolarHBondContact O-N 2.8Å; E74-I78 WeakPolarHBondContact O-CD1 3.21Å; E74-I78 WeakPolarHBondContact O-CG1 3.29Å; E74-I78 PolarHBondContact O-N 2.81Å; E74-L96 HydrophobicContact CB-CD2 4.14Å; E74-L96 HydrophobicContact CG-CD2 4.01Å; E74-R99 IonicContact OE1-CZ 3.4Å; E74-R99 IonicContact OE1-NE 2.82Å; E74-R99 PolarHBondContact OE1-NE 3.03Å; E74-R99 IonicContact OE1-NH2 3.18Å; E74-R99 IonicContact OE2-CZ 3.48Å; E74-R99 IonicContact OE2-NE 3.59Å; E74-R99 PolarHBondContact OE2-NE 3.39Å; E74-R99 IonicContact OE2-NH2 3.77Å; E74-R99 PolarHBondContact OE2-NH2 3.49Å
75D96.7Very high96.8Very high1 Ų171.7 Ų71.71%0.00536%0.363CS..Hα-helixtrans-60.3-51177.3-171.586.4000112.1T71 E72 E73 L77 I78 I79 Y107 I112 K115T71-D75 PolarHBondContact O-N 3.19Å; E72-D75 WeakPolarHBondContact O-CB 3.38Å; E72-D75 PolarHBondContact O-N 2.98Å; E73-D75 VanDerWaalsContact C-N 3.35Å; D75-L77 VanDerWaalsContact C-N 3.32Å; D75-L77 PolarHBondContact O-N 3.41Å; D75-I78 PolarHBondContact O-N 3.47Å; D75-I79 WeakPolarHBondContact O-CG1 3.37Å; D75-I79 PolarHBondContact O-N 2.65Å; D75-I79 WeakPolarHBondContact OD2-CD1 3.41Å; D75-Y107 HydrophobicContact CB-CE1 4.34Å; D75-Y107 WeakPolarHBondContact OD1-CE1 3.46Å; D75-Y107 PolarHBondContact OD1-OH 2.93Å; D75-I112 WeakPolarHBondContact OD1-CG1 3.41Å; D75-K115 WeakPolarHBondContact OD2-CD 3.11Å; D75-K115 WeakPolarHBondContact OD2-CE 3.5Å; D75-K115 IonicContact OD2-NZ 2.65Å; D75-K115 PolarHBondContact OD2-NZ 3.24Å
76E97Very high96.9Very high131 Ų13172.3 Ų72.361%0.61237%0.373SS*.Hα-helixtrans-61.2-41.3177-71.3-176.7173.800112.1E72 I79 K80E72-E76 WeakPolarHBondContact O-CG 3.25Å; E72-E76 PolarHBondContact O-N 2.8Å; E76-I79 PolarHBondContact O-N 2.98Å; E76-K80 WeakPolarHBondContact O-CB 3.25Å; E76-K80 PolarHBondContact O-N 3Å
77L98Very high96.9Very high61 Ų6173.2 Ų73.232%0.31938%0.382SS..Hα-helixtrans-64.5-41.4177.6-177.557.2000111.5E73 E74 D75 K80 L81 L96E73-L77 VanDerWaalsContact O-CB 3.28Å; E73-L77 WeakPolarHBondContact O-CB 3.28Å; E73-L77 PolarHBondContact O-N 3.44Å; E74-L77 PolarHBondContact O-N 2.8Å; D75-L77 VanDerWaalsContact C-N 3.32Å; D75-L77 PolarHBondContact O-N 3.41Å; L77-K80 PolarHBondContact O-N 3.35Å; L77-L81 HydrophobicContact CD1-CD1 3.85Å; L77-L81 HydrophobicContact CD1-CG 3.97Å; L77-L81 HydrophobicContact CG-CD1 3.85Å; L77-L81 HydrophobicContact CG-CG 4.37Å; L77-L81 WeakPolarHBondContact O-CB 3.34Å; L77-L81 VanDerWaalsContact O-CG 3.25Å; L77-L81 WeakPolarHBondContact O-CG 3.2Å; L77-L81 PolarHBondContact O-N 3.26Å; L77-L96 HydrophobicContact CD2-CD2 3.71Å; L77-L96 HydrophobicContact CD2-CG 4.18Å; L77-L96 HydrophobicContact CG-CD2 4.3Å
78I98.3Very high97.1Very high0 Ų071.5 Ų71.50%038%0.379CS..Hα-helixtrans-62.3-45.6175.5-67.2162.4000110.4F70 E74 D75 K80 L81 H82 L96 I104 Y107 W108 I112F70-I78 HydrophobicContact CD1-CD1 3.7Å; F70-I78 HydrophobicContact CE1-CD1 3.65Å; E74-I78 WeakPolarHBondContact O-CD1 3.21Å; E74-I78 WeakPolarHBondContact O-CG1 3.29Å; E74-I78 PolarHBondContact O-N 2.81Å; D75-I78 PolarHBondContact O-N 3.47Å; I78-K80 PolarHBondContact O-N 2.83Å; I78-L81 PolarHBondContact O-N 3.34Å; I78-H82 VanDerWaalsContact O-CB 3.26Å; I78-H82 WeakPolarHBondContact O-CB 3.38Å; I78-H82 PolarHBondContact O-N 2.77Å; I78-L96 HydrophobicContact CD1-CD1 4.14Å; I78-L96 HydrophobicContact CG1-CD1 3.47Å; I78-L96 VanDerWaalsContact CG1-CD1 3.47Å; I78-I104 HydrophobicContact CD1-CG1 4.45Å; I78-I104 HydrophobicContact CD1-CG2 4.16Å; I78-I104 HydrophobicContact CG1-CG2 4.07Å; I78-I104 HydrophobicContact CG2-CG2 3.95Å; I78-Y107 HydrophobicContact CD1-CD1 3.87Å; I78-Y107 HydrophobicContact CD1-CE1 4.32Å; I78-W108 HydrophobicContact CG2-CE3 3.96Å; I78-I112 HydrophobicContact CB-CD1 3.74Å; I78-I112 HydrophobicContact CD1-CD1 4.21Å; I78-I112 HydrophobicContact CG2-CD1 3.34Å
79I97.7Very high97.4Very high30 Ų3070.6 Ų70.615%0.15436%0.358CS..Hα-helixtrans-58-50.5177.7-68.4164.4000110.4D75 E76 L81 H82 S83 W108 I112 L116 H126D75-I79 WeakPolarHBondContact O-CG1 3.37Å; D75-I79 PolarHBondContact O-N 2.65Å; D75-I79 WeakPolarHBondContact OD2-CD1 3.41Å; E76-I79 PolarHBondContact O-N 2.98Å; I79-L81 PolarHBondContact O-N 3.43Å; I79-H82 PolarHBondContact O-N 3.26Å; I79-S83 PolarHBondContact O-N 3.4Å; I79-W108 HydrophobicContact CG1-CZ3 4.48Å; I79-I112 HydrophobicContact CD1-CG2 4.01Å; I79-I112 HydrophobicContact CG1-CD1 4.48Å; I79-I112 HydrophobicContact CG1-CG2 3.5Å; I79-L116 HydrophobicContact CD1-CD2 4.21Å; I79-L116 HydrophobicContact CG2-CD2 4.36Å; I79-H126 PolarHBondContact O-CE1 3.33Å
80K97.5Very high97.4Very high138 Ų13867.2 Ų67.260%0.635%0.347SS*.Hα-helixtrans-60.9-43.6179-178.8178.3-179.8176.80112.5E76 L77 I78 S83 L84E76-K80 WeakPolarHBondContact O-CB 3.25Å; E76-K80 PolarHBondContact O-N 3Å; L77-K80 PolarHBondContact O-N 3.35Å; I78-K80 PolarHBondContact O-N 2.83Å; K80-S83 PolarHBondContact O-OG 2.97Å; K80-L84 WeakPolarHBondContact O-CG 3.48Å; K80-L84 PolarHBondContact O-N 3.38Å
81L98.1Very high97.5Very high23 Ų2370.5 Ų70.512%0.1237%0.366CS..Hα-helixtrans-71-37179.9-71.1172.7000111.8L77 I78 I79 L84 L85 I92 R95L77-L81 HydrophobicContact CD1-CD1 3.85Å; L77-L81 HydrophobicContact CD1-CG 3.97Å; L77-L81 HydrophobicContact CG-CD1 3.85Å; L77-L81 HydrophobicContact CG-CG 4.37Å; L77-L81 WeakPolarHBondContact O-CB 3.34Å; L77-L81 VanDerWaalsContact O-CG 3.25Å; L77-L81 WeakPolarHBondContact O-CG 3.2Å; L77-L81 PolarHBondContact O-N 3.26Å; I78-L81 PolarHBondContact O-N 3.34Å; I79-L81 PolarHBondContact O-N 3.43Å; L81-L84 PolarHBondContact O-N 3.38Å; L81-L85 WeakPolarHBondContact O-CB 3.34Å; L81-L85 PolarHBondContact O-N 2.91Å; L81-I92 HydrophobicContact CB-CD1 4.42Å; L81-I92 HydrophobicContact CB-CG1 4.1Å; L81-I92 HydrophobicContact CB-CG2 4.07Å; L81-I92 HydrophobicContact CD1-CG2 3.87Å; L81-R95 HydrophobicContact CD1-CB 3.73Å; L81-R95 HydrophobicContact CD1-CG 4.14Å; L81-R95 HydrophobicContact CD2-CG 4.44Å
82H98.3Very high97.5Very high11 Ų1167.5 Ų67.55%0.05135%0.347CS..Hα-helixtrans-66-38.2175.5-177-72.4000111.7I78 I79 L84 L85 G86 N87 W89 I92 W108 H126I78-H82 VanDerWaalsContact O-CB 3.26Å; I78-H82 WeakPolarHBondContact O-CB 3.38Å; I78-H82 PolarHBondContact O-N 2.77Å; I79-H82 PolarHBondContact O-N 3.26Å; H82-L84 PolarHBondContact O-N 2.94Å; H82-L85 PolarHBondContact O-N 2.84Å; H82-G86 VanDerWaalsContact O-CA 3.25Å; H82-G86 WeakPolarHBondContact O-CA 3.46Å; H82-G86 PolarHBondContact O-N 3.18Å; H82-N87 PolarHBondContact NE2-OD1 3.35Å; H82-N87 VanDerWaalsContact NE2-OD1 3.09Å; H82-W89 AromaticContact CD2-CH2 3.57Å; H82-W89 AromaticContact CD2-CZ3 3.99Å; H82-I92 HydrophobicContact CB-CD1 4.4Å; H82-W108 HydrophobicContact CB-CE3 4.2Å; H82-W108 HydrophobicContact CB-CH2 3.88Å; H82-W108 HydrophobicContact CB-CZ3 3.62Å; H82-W108 AromaticContact CD2-CD2 3.95Å; H82-W108 AromaticContact CD2-CE2 3.66Å; H82-W108 AromaticContact CD2-CH2 3.79Å; H82-W108 AromaticContact CD2-CZ2 3.6Å; H82-W108 AromaticContact CD2-CZ3 3.97Å; H82-W108 AromaticContact CE1-CH2 3.73Å; H82-W108 AromaticContact CE1-CZ2 3.35Å; H82-W108 WeakPolarHBondContact CE1-CZ2 3.42Å; H82-W108 AromaticContact CG-CH2 3.39Å; H82-W108 AromaticContact CG-CZ2 3.66Å; H82-W108 AromaticContact CG-CZ3 3.6Å; H82-W108 AromaticContact ND1-CH2 3.39Å; H82-W108 WeakPolarHBondContact ND1-CH2 3.44Å; H82-W108 AromaticContact ND1-CZ2 3.54Å; H82-W108 AromaticContact NE2-CE2 3.58Å; H82-W108 AromaticContact NE2-CH2 3.99Å; H82-W108 AromaticContact NE2-CZ2 3.41Å; H82-W108 WeakPolarHBondContact NE2-CZ2 3.31Å; H82-W108 AromaticContact NE2-NE1 3.85Å; H82-H126 AromaticContact CE1-NE2 3.73Å; H82-H126 AromaticContact CG-NE2 3.87Å; H82-H126 AromaticContact ND1-CD2 3.88Å; H82-H126 AromaticContact ND1-CE1 3.78Å; H82-H126 AromaticContact ND1-NE2 2.93Å; H82-H126 PolarHBondContact ND1-NE2 2.93Å
83S96.8Very high97.6Very high63 Ų6361.5 Ų61.544%0.44132%0.322SS..Hα-helixtrans-61.6-29.3176.379.90000112.6I79 K80 H126I79-S83 PolarHBondContact O-N 3.4Å; K80-S83 PolarHBondContact O-OG 2.97Å; S83-H126 VanDerWaalsContact CB-CG 3.47Å
84L96.9Very high97.6Very high125 Ų12558.3 Ų58.365%0.65433%0.325SS*.Hα-helixtrans-89.2-38.6179.6-63.5173.3000113.8K80 L81 H82K80-L84 WeakPolarHBondContact O-CG 3.48Å; K80-L84 PolarHBondContact O-N 3.38Å; L81-L84 PolarHBondContact O-N 3.38Å; H82-L84 PolarHBondContact O-N 2.94Å
85L97Very high97.6Very high64 Ų6466.5 Ų66.534%0.33536%0.356SS..Hα-helixtrans-112.3-15.8-168.2-58.9175.8000113.8L81 H82 K88 L91 I92L81-L85 WeakPolarHBondContact O-CB 3.34Å; L81-L85 PolarHBondContact O-N 2.91Å; H82-L85 PolarHBondContact O-N 2.84Å; L85-K88 HydrophobicContact CB-CB 4.35Å; L85-K88 HydrophobicContact CB-CD 4.45Å; L85-K88 WeakPolarHBondContact O-CD 3.4Å; L85-K88 VanDerWaalsContact O-CG 3.3Å; L85-K88 WeakPolarHBondContact O-CG 3.5Å; L85-L91 HydrophobicContact CD1-CB 4.25Å; L85-I92 HydrophobicContact CD1-CG1 4.17Å
86G96.7Very high97.6Very high25 Ų2566.6 Ų66.626%0.25836%0.356SS..SBendtrans63.2-145.5-169.400000112.8H82 K88H82-G86 VanDerWaalsContact O-CA 3.25Å; H82-G86 WeakPolarHBondContact O-CA 3.46Å; H82-G86 PolarHBondContact O-N 3.18Å; G86-K88 PolarHBondContact O-N 2.95Å
87N97.4Very high97.5Very high112 Ų11265.1 Ų65.160%0.59936%0.358SS*.SBendtrans-73.231-176.4-65.7-29.8000114.7H82 W89H82-N87 PolarHBondContact NE2-OD1 3.35Å; H82-N87 VanDerWaalsContact NE2-OD1 3.09Å; N87-W89 HydrophobicContact CB-CZ2 4.07Å; N87-W89 PolarHBondContact O-N 3.25Å; N87-W89 VanDerWaalsContact O-N 3.09Å; N87-W89 WeakPolarHBondContact OD1-CZ2 3.44Å
88K97.8Very high97.4Very high120 Ų12062.9 Ų62.952%0.52235%0.35SS..  trans-86.561.6178-65.2178.2-168.3-75.50110.7L85 G86 S90 L91 I92L85-K88 HydrophobicContact CB-CB 4.35Å; L85-K88 HydrophobicContact CB-CD 4.45Å; L85-K88 WeakPolarHBondContact O-CD 3.4Å; L85-K88 VanDerWaalsContact O-CG 3.3Å; L85-K88 WeakPolarHBondContact O-CG 3.5Å; G86-K88 PolarHBondContact O-N 2.95Å; K88-S90 VanDerWaalsContact C-N 3.31Å; K88-S90 PolarHBondContact O-N 3.21Å; K88-L91 HydrophobicContact CB-CB 4.26Å; K88-L91 HydrophobicContact CB-CD1 3.99Å; K88-L91 HydrophobicContact CB-CG 4.26Å; K88-L91 HydrophobicContact CD-CD1 3.75Å; K88-L91 HydrophobicContact CG-CD1 4.44Å; K88-L91 WeakPolarHBondContact O-CB 3.41Å; K88-L91 PolarHBondContact O-N 3.03Å; K88-I92 PolarHBondContact O-N 3.47Å; K88-I92 VanDerWaalsContact O-N 3.14Å
89W98.5Very high97.4Very high35 Ų3563.6 Ų63.613%0.13335%0.352CS..Hα-helixtrans-52.9-41.9-170.5-53.2117.2000114.6H82 N87 L91 I92 A93 D101 I104 K105 W108H82-W89 AromaticContact CD2-CH2 3.57Å; H82-W89 AromaticContact CD2-CZ3 3.99Å; N87-W89 HydrophobicContact CB-CZ2 4.07Å; N87-W89 PolarHBondContact O-N 3.25Å; N87-W89 VanDerWaalsContact O-N 3.09Å; N87-W89 WeakPolarHBondContact OD1-CZ2 3.44Å; W89-L91 VanDerWaalsContact C-N 3.27Å; W89-L91 PolarHBondContact O-N 3.25Å; W89-I92 HydrophobicContact CE3-CD1 3.98Å; W89-I92 HydrophobicContact CZ3-CD1 4.09Å; W89-I92 PolarHBondContact O-N 3.21Å; W89-A93 WeakPolarHBondContact O-CB 3.09Å; W89-A93 PolarHBondContact O-N 3.14Å; W89-D101 HydrophobicContact CB-CB 3.81Å; W89-I104 HydrophobicContact CE3-CG2 3.79Å; W89-I104 HydrophobicContact CZ3-CG2 4.05Å; W89-K105 HydrophobicContact CD2-CB 3.78Å; W89-K105 HydrophobicContact CD2-CG 4.32Å; W89-K105 HydrophobicContact CE3-CB 4.37Å; W89-K105 HydrophobicContact CG-CB 3.84Å; W89-K105 HydrophobicContact CG-CG 4.38Å; W89-K105 HydrophobicContact CZ2-CB 4.49Å; W89-K105 HydrophobicContact CZ2-CG 4.39Å; W89-W108 HydrophobicContact CH2-CB 3.68Å; W89-W108 AromaticContact CH2-CD1 3.53Å; W89-W108 AromaticContact CH2-CD2 3.85Å; W89-W108 HydrophobicContact CH2-CD2 3.85Å; W89-W108 AromaticContact CH2-CG 3.4Å; W89-W108 HydrophobicContact CH2-CG 3.4Å; W89-W108 VanDerWaalsContact CH2-CG 3.4Å; W89-W108 HydrophobicContact CZ2-CG 4.27Å; W89-W108 HydrophobicContact CZ3-CB 3.99Å; W89-W108 HydrophobicContact CZ3-CD2 4.4Å; W89-W108 HydrophobicContact CZ3-CG 4.08Å
90S97.6Very high97.4Very high83 Ų8362.7 Ų62.758%0.5835%0.348SS*.Hα-helixtrans-65.6-29178.9-41.50000112.9K88 G94 D101K88-S90 VanDerWaalsContact C-N 3.31Å; K88-S90 PolarHBondContact O-N 3.21Å; S90-G94 PolarHBondContact O-N 3.34Å; S90-D101 PolarHBondContact OG-OD2 3.44Å
91L97.7Very high97.4Very high103 Ų10358.8 Ų58.854%0.53933%0.334SS..Hα-helixtrans-75-39.7172.2-64.8-177.7000111.7L85 K88 W89 G94L85-L91 HydrophobicContact CD1-CB 4.25Å; K88-L91 HydrophobicContact CB-CB 4.26Å; K88-L91 HydrophobicContact CB-CD1 3.99Å; K88-L91 HydrophobicContact CB-CG 4.26Å; K88-L91 HydrophobicContact CD-CD1 3.75Å; K88-L91 HydrophobicContact CG-CD1 4.44Å; K88-L91 WeakPolarHBondContact O-CB 3.41Å; K88-L91 PolarHBondContact O-N 3.03Å; W89-L91 VanDerWaalsContact C-N 3.27Å; W89-L91 PolarHBondContact O-N 3.25Å; L91-G94 PolarHBondContact O-N 3.48Å
92I98.4Very high97.4Very high0 Ų059.4 Ų59.40%034%0.337CS..Hα-helixtrans-62.9-44.7176.7-60.8179.3000110L81 H82 L85 K88 W89 G94 R95 L96 I104L81-I92 HydrophobicContact CB-CD1 4.42Å; L81-I92 HydrophobicContact CB-CG1 4.1Å; L81-I92 HydrophobicContact CB-CG2 4.07Å; L81-I92 HydrophobicContact CD1-CG2 3.87Å; H82-I92 HydrophobicContact CB-CD1 4.4Å; L85-I92 HydrophobicContact CD1-CG1 4.17Å; K88-I92 PolarHBondContact O-N 3.47Å; K88-I92 VanDerWaalsContact O-N 3.14Å; W89-I92 HydrophobicContact CE3-CD1 3.98Å; W89-I92 HydrophobicContact CZ3-CD1 4.09Å; W89-I92 PolarHBondContact O-N 3.21Å; I92-G94 PolarHBondContact O-N 3.05Å; I92-R95 PolarHBondContact O-N 3.22Å; I92-L96 HydrophobicContact CG2-CD1 3.98Å; I92-I104 HydrophobicContact CG2-CD1 4.35Å; I92-I104 HydrophobicContact CG2-CG2 4.02Å
93A97.8Very high97.4Very high20 Ų2060.8 Ų60.817%0.16534%0.344CS..Hα-helixtrans-57.3-32.4176.400000113W89 R95 L96 D101 I104W89-A93 WeakPolarHBondContact O-CB 3.09Å; W89-A93 PolarHBondContact O-N 3.14Å; A93-R95 PolarHBondContact O-N 3.36Å; A93-L96 PolarHBondContact O-N 3.13Å; A93-L96 VanDerWaalsContact O-N 3.09Å; A93-D101 HydrophobicContact CB-CB 4.06Å; A93-I104 VanDerWaalsContact CA-CD1 3.48Å; A93-I104 HydrophobicContact CB-CD1 3.76Å
94G96.9Very high97.4Very high66 Ų6657.8 Ų57.868%0.6832%0.323SS*.THydrogen-bonded Turntrans-62.2-12.2174.500000114.7S90 L91 I92S90-G94 PolarHBondContact O-N 3.34Å; L91-G94 PolarHBondContact O-N 3.48Å; I92-G94 PolarHBondContact O-N 3.05Å
95R97.2Very high97.5Very high185 Ų18555.1 Ų55.170%0.69831%0.306SS*.THydrogen-bonded Turntrans-109.2-2.1177.2-56.6-61-174.5142.40113.6L81 I92 A93L81-R95 HydrophobicContact CD1-CB 3.73Å; L81-R95 HydrophobicContact CD1-CG 4.14Å; L81-R95 HydrophobicContact CD2-CG 4.44Å; I92-R95 PolarHBondContact O-N 3.22Å; A93-R95 PolarHBondContact O-N 3.36Å
96L97.1Very high97.5Very high4 Ų455.5 Ų55.52%0.02131%0.308CS..SBendtrans-121.188.2-177.4-76.2158.9000109.3E74 L77 I78 I92 A93 G98 R99 I104E74-L96 HydrophobicContact CB-CD2 4.14Å; E74-L96 HydrophobicContact CG-CD2 4.01Å; L77-L96 HydrophobicContact CD2-CD2 3.71Å; L77-L96 HydrophobicContact CD2-CG 4.18Å; L77-L96 HydrophobicContact CG-CD2 4.3Å; I78-L96 HydrophobicContact CD1-CD1 4.14Å; I78-L96 HydrophobicContact CG1-CD1 3.47Å; I78-L96 VanDerWaalsContact CG1-CD1 3.47Å; I92-L96 HydrophobicContact CG2-CD1 3.98Å; A93-L96 PolarHBondContact O-N 3.13Å; A93-L96 VanDerWaalsContact O-N 3.09Å; L96-G98 PolarHBondContact O-N 3.23Å; L96-R99 HydrophobicContact CB-CB 3.99Å; L96-R99 HydrophobicContact CB-CG 4.27Å; L96-R99 PolarHBondContact O-N 3.45Å; L96-R99 VanDerWaalsContact O-N 3.09Å; L96-I104 HydrophobicContact CB-CD1 4.24Å; L96-I104 HydrophobicContact CD1-CD1 3.56Å; L96-I104 HydrophobicContact CD1-CG1 3.97Å
97P95.8Very high97.6Very high100 Ų10056.1 Ų56.165%0.64930%0.303SS*.THydrogen-bonded Turntrans-60.6129.5-174.524.9-33.6000111.3K66 R99K66-P97 VanDerWaalsContact CE-O 3.28Å; K66-P97 WeakPolarHBondContact CE-O 3.22Å; P97-R99 VanDerWaalsContact C-N 3.3Å; P97-R99 PolarHBondContact O-N 2.95Å
98G96.2Very high97.6Very high14 Ų1450.9 Ų50.914%0.14428%0.275CS..THydrogen-bonded Turntrans78.14.5-179.100000115.5D64 K66 L96D64-G98 WeakPolarHBondContact O-CA 3.48Å; K66-G98 PolarHBondContact N-O 3.44Å; L96-G98 PolarHBondContact O-N 3.23Å
99R97.6Very high97.6Very high15 Ų1549.2 Ų49.26%0.05727%0.272CS..  trans-107.3139.4170.4-59.6-61.4-172.9175.73.7110.8G68 N69 F70 E74 L96 P97 I104G68-R99 PolarHBondContact O-NH1 2.92Å; N69-R99 PolarHBondContact O-NH2 3.5Å; F70-R99 HydrophobicContact CE1-CG 4Å; F70-R99 HydrophobicContact CZ-CG 4.48Å; E74-R99 IonicContact OE1-CZ 3.4Å; E74-R99 IonicContact OE1-NE 2.82Å; E74-R99 PolarHBondContact OE1-NE 3.03Å; E74-R99 IonicContact OE1-NH2 3.18Å; E74-R99 IonicContact OE2-CZ 3.48Å; E74-R99 IonicContact OE2-NE 3.59Å; E74-R99 PolarHBondContact OE2-NE 3.39Å; E74-R99 IonicContact OE2-NH2 3.77Å; E74-R99 PolarHBondContact OE2-NH2 3.49Å; L96-R99 HydrophobicContact CB-CB 3.99Å; L96-R99 HydrophobicContact CB-CG 4.27Å; L96-R99 PolarHBondContact O-N 3.45Å; L96-R99 VanDerWaalsContact O-N 3.09Å; P97-R99 VanDerWaalsContact C-N 3.3Å; P97-R99 PolarHBondContact O-N 2.95Å; R99-I104 HydrophobicContact CB-CD1 4.14Å; R99-I104 HydrophobicContact CB-CG1 4.18Å
100T97.7Very high97.5Very high11 Ų1149.6 Ų49.67%0.06728%0.278CS..  trans-91.8158.6176.563.40000112I58 L65 N102 E103 I104I58-T100 WeakPolarHBondContact O-CG2 3.39Å; L65-T100 HydrophobicContact CD2-CG2 3.45Å; L65-T100 VanDerWaalsContact CD2-CG2 3.45Å; T100-N102 PolarHBondContact O-N 3.27Å; T100-E103 WeakPolarHBondContact CB-OE2 3.38Å; T100-E103 WeakPolarHBondContact CG2-OE2 3.46Å; T100-E103 PolarHBondContact N-OE2 3.13Å; T100-E103 PolarHBondContact O-N 2.74Å; T100-E103 WeakPolarHBondContact OG1-CB 3.33Å; T100-E103 WeakPolarHBondContact OG1-CG 3.43Å; T100-E103 PolarHBondContact OG1-N 2.77Å; T100-E103 PolarHBondContact OG1-OE2 2.77Å; T100-I104 WeakPolarHBondContact O-CD1 2.98Å; T100-I104 VanDerWaalsContact O-CG1 3.32Å; T100-I104 WeakPolarHBondContact O-CG1 2.82Å; T100-I104 PolarHBondContact O-N 3.26Å
101D97.9Very high97.4Very high56 Ų5649.9 Ų49.930%0.29927%0.27SS..Hα-helixtrans-60.6-35.5174.463-19.2000112.3W89 S90 A93 K105W89-D101 HydrophobicContact CB-CB 3.81Å; S90-D101 PolarHBondContact OG-OD2 3.44Å; A93-D101 HydrophobicContact CB-CB 4.06Å; D101-K105 VanDerWaalsContact O-CB 3.22Å; D101-K105 WeakPolarHBondContact O-CB 3.39Å; D101-K105 PolarHBondContact O-N 3.19Å
102N97.8Very high97.4Very high36 Ų3645 Ų4519%0.19324%0.244CC..Hα-helixtrans-65.7-43.8174.8-172.768.2000112.4T100 K105 N106T100-N102 PolarHBondContact O-N 3.27Å; N102-K105 PolarHBondContact OD1-NZ 3.48Å; N102-N106 WeakPolarHBondContact O-CB 2.99Å; N102-N106 PolarHBondContact O-N 3.42Å; N102-N106 PolarHBondContact O-ND2 3.09Å; N102-N106 PolarHBondContact O-OD1 3.05Å
103E97.8Very high97.3Very high39 Ų3949.5 Ų49.518%0.18226%0.261CS..Hα-helixtrans-62.4-47.7175.9-74.2167.5119.800111.5F70 T100 K105 N106 Y107F70-E103 HydrophobicContact CZ-CB 4.07Å; T100-E103 WeakPolarHBondContact CB-OE2 3.38Å; T100-E103 WeakPolarHBondContact CG2-OE2 3.46Å; T100-E103 PolarHBondContact N-OE2 3.13Å; T100-E103 PolarHBondContact O-N 2.74Å; T100-E103 WeakPolarHBondContact OG1-CB 3.33Å; T100-E103 WeakPolarHBondContact OG1-CG 3.43Å; T100-E103 PolarHBondContact OG1-N 2.77Å; T100-E103 PolarHBondContact OG1-OE2 2.77Å; E103-K105 PolarHBondContact O-N 3.18Å; E103-N106 PolarHBondContact O-N 3.09Å; E103-Y107 WeakPolarHBondContact O-CB 3.5Å; E103-Y107 PolarHBondContact O-N 3.22Å
104I98.3Very high97.2Very high0 Ų056.2 Ų56.20%028%0.282CS..Hα-helixtrans-62.2-46.3-179.2-65.9158.6000110.8F70 I78 W89 I92 A93 L96 R99 T100 N106 Y107 W108F70-I104 HydrophobicContact CE1-CG1 4.23Å; F70-I104 HydrophobicContact CZ-CG1 4.4Å; I78-I104 HydrophobicContact CD1-CG1 4.45Å; I78-I104 HydrophobicContact CD1-CG2 4.16Å; I78-I104 HydrophobicContact CG1-CG2 4.07Å; I78-I104 HydrophobicContact CG2-CG2 3.95Å; W89-I104 HydrophobicContact CE3-CG2 3.79Å; W89-I104 HydrophobicContact CZ3-CG2 4.05Å; I92-I104 HydrophobicContact CG2-CD1 4.35Å; I92-I104 HydrophobicContact CG2-CG2 4.02Å; A93-I104 VanDerWaalsContact CA-CD1 3.48Å; A93-I104 HydrophobicContact CB-CD1 3.76Å; L96-I104 HydrophobicContact CB-CD1 4.24Å; L96-I104 HydrophobicContact CD1-CD1 3.56Å; L96-I104 HydrophobicContact CD1-CG1 3.97Å; R99-I104 HydrophobicContact CB-CD1 4.14Å; R99-I104 HydrophobicContact CB-CG1 4.18Å; T100-I104 WeakPolarHBondContact O-CD1 2.98Å; T100-I104 VanDerWaalsContact O-CG1 3.32Å; T100-I104 WeakPolarHBondContact O-CG1 2.82Å; T100-I104 PolarHBondContact O-N 3.26Å; I104-N106 VanDerWaalsContact C-N 3.31Å; I104-N106 PolarHBondContact O-N 3.3Å; I104-Y107 PolarHBondContact O-N 3.44Å; I104-W108 WeakPolarHBondContact O-CB 3.49Å; I104-W108 PolarHBondContact O-N 3.03Å
105K98.1Very high97.1Very high69 Ų6955.7 Ų55.730%0.326%0.262SS..Hα-helixtrans-57.5-44.9174.9174.7-163.270.8-167.20111.4W89 D101 N102 E103 W108 N109W89-K105 HydrophobicContact CD2-CB 3.78Å; W89-K105 HydrophobicContact CD2-CG 4.32Å; W89-K105 HydrophobicContact CE3-CB 4.37Å; W89-K105 HydrophobicContact CG-CB 3.84Å; W89-K105 HydrophobicContact CG-CG 4.38Å; W89-K105 HydrophobicContact CZ2-CB 4.49Å; W89-K105 HydrophobicContact CZ2-CG 4.39Å; D101-K105 VanDerWaalsContact O-CB 3.22Å; D101-K105 WeakPolarHBondContact O-CB 3.39Å; D101-K105 PolarHBondContact O-N 3.19Å; N102-K105 PolarHBondContact OD1-NZ 3.48Å; E103-K105 PolarHBondContact O-N 3.18Å; K105-W108 PolarHBondContact O-N 3.24Å; K105-N109 PolarHBondContact O-N 2.65Å; K105-N109 VanDerWaalsContact O-N 3.07Å; K105-N109 PolarHBondContact O-ND2 2.79Å
106N97.8Very high97.1Very high72 Ų7247.1 Ų47.139%0.38523%0.23SC..Hα-helixtrans-65.5-46.6179.7-73.5-5.1000110.9N102 E103 I104 W108 N109 T110N102-N106 WeakPolarHBondContact O-CB 2.99Å; N102-N106 PolarHBondContact O-N 3.42Å; N102-N106 PolarHBondContact O-ND2 3.09Å; N102-N106 PolarHBondContact O-OD1 3.05Å; E103-N106 PolarHBondContact O-N 3.09Å; I104-N106 VanDerWaalsContact C-N 3.31Å; I104-N106 PolarHBondContact O-N 3.3Å; N106-W108 VanDerWaalsContact C-N 3.32Å; N106-W108 PolarHBondContact O-N 2.84Å; N106-N109 PolarHBondContact O-N 2.82Å; N106-T110 WeakPolarHBondContact O-CB 3.35Å; N106-T110 WeakPolarHBondContact O-CG2 3.2Å; N106-T110 PolarHBondContact O-N 3.03Å; N106-T110 PolarHBondContact O-OG1 2.74Å
107Y97.9Very high97Very high38 Ų3851.3 Ų51.315%0.14925%0.252CS..Hα-helixtrans-61.2-41.1178-175-109.7000111.7F70 D75 I78 E103 I104 N109 T110 H111 I112F70-Y107 HydrophobicContact CB-CD1 4.19Å; F70-Y107 HydrophobicContact CB-CD2 4.18Å; F70-Y107 HydrophobicContact CB-CE1 3.77Å; F70-Y107 HydrophobicContact CB-CE2 3.77Å; F70-Y107 HydrophobicContact CB-CG 4.39Å; F70-Y107 AromaticContact CD1-CD1 3.95Å; F70-Y107 HydrophobicContact CD1-CD1 3.95Å; F70-Y107 HydrophobicContact CD1-CE1 4.24Å; F70-Y107 HydrophobicContact CD1-CG 4.25Å; F70-Y107 AromaticContact CD2-CD1 3.89Å; F70-Y107 HydrophobicContact CD2-CD1 3.89Å; F70-Y107 AromaticContact CD2-CD2 3.32Å; F70-Y107 HydrophobicContact CD2-CD2 3.32Å; F70-Y107 HydrophobicContact CD2-CE1 4.31Å; F70-Y107 AromaticContact CD2-CE2 3.8Å; F70-Y107 HydrophobicContact CD2-CE2 3.8Å; F70-Y107 AromaticContact CD2-CG 3.39Å; F70-Y107 HydrophobicContact CD2-CG 3.39Å; F70-Y107 HydrophobicContact CE1-CD1 4.3Å; F70-Y107 HydrophobicContact CE1-CG 4.42Å; F70-Y107 VanDerWaalsContact CE2-CB 3.49Å; F70-Y107 HydrophobicContact CE2-CD1 4.25Å; F70-Y107 AromaticContact CE2-CD2 3.86Å; F70-Y107 HydrophobicContact CE2-CD2 3.86Å; F70-Y107 AromaticContact CE2-CG 3.6Å; F70-Y107 HydrophobicContact CE2-CG 3.6Å; F70-Y107 AromaticContact CG-CD1 3.73Å; F70-Y107 HydrophobicContact CG-CD1 3.73Å; F70-Y107 AromaticContact CG-CD2 3.86Å; F70-Y107 HydrophobicContact CG-CD2 3.86Å; F70-Y107 AromaticContact CG-CE1 3.85Å; F70-Y107 HydrophobicContact CG-CE1 3.85Å; F70-Y107 AromaticContact CG-CE2 3.97Å; F70-Y107 HydrophobicContact CG-CE2 3.97Å; F70-Y107 AromaticContact CG-CG 3.75Å; F70-Y107 HydrophobicContact CG-CG 3.75Å; F70-Y107 AromaticContact CG-CZ 3.99Å; F70-Y107 HydrophobicContact CZ-CD1 4.44Å; F70-Y107 HydrophobicContact CZ-CG 4.11Å; D75-Y107 HydrophobicContact CB-CE1 4.34Å; D75-Y107 WeakPolarHBondContact OD1-CE1 3.46Å; D75-Y107 PolarHBondContact OD1-OH 2.93Å; I78-Y107 HydrophobicContact CD1-CD1 3.87Å; I78-Y107 HydrophobicContact CD1-CE1 4.32Å; E103-Y107 WeakPolarHBondContact O-CB 3.5Å; E103-Y107 PolarHBondContact O-N 3.22Å; I104-Y107 PolarHBondContact O-N 3.44Å; Y107-N109 PolarHBondContact O-N 3.18Å; Y107-T110 PolarHBondContact O-N 3.43Å; Y107-H111 HydrophobicContact CD2-CB 3.9Å; Y107-H111 AromaticContact CD2-CG 3.78Å; Y107-H111 AromaticContact CD2-ND1 3.59Å; Y107-H111 HydrophobicContact CE2-CB 3.56Å; Y107-H111 AromaticContact CE2-CG 3.55Å; Y107-H111 AromaticContact CE2-ND1 3.84Å; Y107-H111 WeakPolarHBondContact O-CA 3.28Å; Y107-H111 WeakPolarHBondContact O-CB 3.12Å; Y107-H111 PolarHBondContact O-N 3.08Å; Y107-I112 HydrophobicContact CD1-CD1 3.59Å; Y107-I112 HydrophobicContact CD1-CG1 3.85Å; Y107-I112 HydrophobicContact CE1-CD1 3.64Å; Y107-I112 HydrophobicContact CE1-CG1 3.59Å; Y107-I112 PolarHBondContact O-N 2.95Å
108W98.2Very high96.9Very high2 Ų251.2 Ų51.21%0.00825%0.253CS..Iπ-helixtrans-56.6-52.9172.7177.2-95.1000112.2I78 I79 H82 W89 I104 K105 N106 T110 I112 R113 L116 P123 H126I78-W108 HydrophobicContact CG2-CE3 3.96Å; I79-W108 HydrophobicContact CG1-CZ3 4.48Å; H82-W108 HydrophobicContact CB-CE3 4.2Å; H82-W108 HydrophobicContact CB-CH2 3.88Å; H82-W108 HydrophobicContact CB-CZ3 3.62Å; H82-W108 AromaticContact CD2-CD2 3.95Å; H82-W108 AromaticContact CD2-CE2 3.66Å; H82-W108 AromaticContact CD2-CH2 3.79Å; H82-W108 AromaticContact CD2-CZ2 3.6Å; H82-W108 AromaticContact CD2-CZ3 3.97Å; H82-W108 AromaticContact CE1-CH2 3.73Å; H82-W108 AromaticContact CE1-CZ2 3.35Å; H82-W108 WeakPolarHBondContact CE1-CZ2 3.42Å; H82-W108 AromaticContact CG-CH2 3.39Å; H82-W108 AromaticContact CG-CZ2 3.66Å; H82-W108 AromaticContact CG-CZ3 3.6Å; H82-W108 AromaticContact ND1-CH2 3.39Å; H82-W108 WeakPolarHBondContact ND1-CH2 3.44Å; H82-W108 AromaticContact ND1-CZ2 3.54Å; H82-W108 AromaticContact NE2-CE2 3.58Å; H82-W108 AromaticContact NE2-CH2 3.99Å; H82-W108 AromaticContact NE2-CZ2 3.41Å; H82-W108 WeakPolarHBondContact NE2-CZ2 3.31Å; H82-W108 AromaticContact NE2-NE1 3.85Å; W89-W108 HydrophobicContact CH2-CB 3.68Å; W89-W108 AromaticContact CH2-CD1 3.53Å; W89-W108 AromaticContact CH2-CD2 3.85Å; W89-W108 HydrophobicContact CH2-CD2 3.85Å; W89-W108 AromaticContact CH2-CG 3.4Å; W89-W108 HydrophobicContact CH2-CG 3.4Å; W89-W108 VanDerWaalsContact CH2-CG 3.4Å; W89-W108 HydrophobicContact CZ2-CG 4.27Å; W89-W108 HydrophobicContact CZ3-CB 3.99Å; W89-W108 HydrophobicContact CZ3-CD2 4.4Å; W89-W108 HydrophobicContact CZ3-CG 4.08Å; I104-W108 WeakPolarHBondContact O-CB 3.49Å; I104-W108 PolarHBondContact O-N 3.03Å; K105-W108 PolarHBondContact O-N 3.24Å; N106-W108 VanDerWaalsContact C-N 3.32Å; N106-W108 PolarHBondContact O-N 2.84Å; W108-T110 VanDerWaalsContact C-N 3.31Å; W108-T110 PolarHBondContact O-N 2.92Å; W108-I112 HydrophobicContact CD2-CB 4.32Å; W108-I112 HydrophobicContact CD2-CG2 4.29Å; W108-I112 HydrophobicContact CE3-CB 3.83Å; W108-I112 HydrophobicContact CE3-CD1 3.8Å; W108-I112 HydrophobicContact CE3-CG1 4.42Å; W108-I112 HydrophobicContact CE3-CG2 3.51Å; W108-I112 HydrophobicContact CH2-CG2 4.07Å; W108-I112 HydrophobicContact CZ3-CB 4.24Å; W108-I112 HydrophobicContact CZ3-CD1 4.44Å; W108-I112 HydrophobicContact CZ3-CG2 3.4Å; W108-I112 PolarHBondContact O-N 2.77Å; W108-R113 HydrophobicContact CG-CG 4.49Å; W108-R113 HydrophobicContact CZ2-CG 4.48Å; W108-R113 WeakPolarHBondContact O-CG 3.41Å; W108-R113 PolarHBondContact O-N 3.39Å; W108-L116 HydrophobicContact CH2-CD1 3.9Å; W108-L116 HydrophobicContact CZ3-CD1 4.45Å; W108-P123 HydrophobicContact CZ2-CB 4.1Å; W108-P123 VanDerWaalsContact CZ2-O 3.25Å; W108-P123 WeakPolarHBondContact CZ2-O 3.16Å; W108-H126 AromaticContact CH2-CE1 3.57Å; W108-H126 AromaticContact CH2-NE2 3.56Å
109N97.2Very high96.8Very high85 Ų8557.9 Ų57.946%0.45527%0.274SS..Iπ-helixtrans-67.2-31.5-176-73-29.6000113.4K105 N106 Y107K105-N109 PolarHBondContact O-N 2.65Å; K105-N109 VanDerWaalsContact O-N 3.07Å; K105-N109 PolarHBondContact O-ND2 2.79Å; N106-N109 PolarHBondContact O-N 2.82Å; Y107-N109 PolarHBondContact O-N 3.18Å
110T95.5Very high96.7Very high43 Ų4358.7 Ų58.726%0.26429%0.287SS..Iπ-helixtrans-96.6-30.5-174.552.70000113.6N106 Y107 W108 R114 L156N106-T110 WeakPolarHBondContact O-CB 3.35Å; N106-T110 WeakPolarHBondContact O-CG2 3.2Å; N106-T110 PolarHBondContact O-N 3.03Å; N106-T110 PolarHBondContact O-OG1 2.74Å; Y107-T110 PolarHBondContact O-N 3.43Å; W108-T110 VanDerWaalsContact C-N 3.31Å; W108-T110 PolarHBondContact O-N 2.92Å; T110-R114 PolarHBondContact O-NE 3.35Å; T110-R114 PolarHBondContact O-NH2 3.3Å; T110-L156 HydrophobicContact CG2-CD2 3.9Å
111H96.7Very high96.5Very high90 Ų9060.6 Ų60.642%0.41730%0.296SS..Iπ-helixtrans-121.2-61.1-172.2-63.578.8000112Y107 R113 R114 K115Y107-H111 HydrophobicContact CD2-CB 3.9Å; Y107-H111 AromaticContact CD2-CG 3.78Å; Y107-H111 AromaticContact CD2-ND1 3.59Å; Y107-H111 HydrophobicContact CE2-CB 3.56Å; Y107-H111 AromaticContact CE2-CG 3.55Å; Y107-H111 AromaticContact CE2-ND1 3.84Å; Y107-H111 WeakPolarHBondContact O-CA 3.28Å; Y107-H111 WeakPolarHBondContact O-CB 3.12Å; Y107-H111 PolarHBondContact O-N 3.08Å; H111-R113 PolarHBondContact O-N 3.44Å; H111-R114 PolarHBondContact O-N 3.41Å; H111-R114 VanDerWaalsContact O-N 3.14Å; H111-K115 PolarHBondContact O-N 2.95Å
112I97.3Very high96.3Very high0 Ų060.1 Ų60.10%029%0.294CS..Iπ-helixtrans-61.9-43.3-170.4-63171.5000112D75 I78 I79 Y107 W108 R114 K115 L116D75-I112 WeakPolarHBondContact OD1-CG1 3.41Å; I78-I112 HydrophobicContact CB-CD1 3.74Å; I78-I112 HydrophobicContact CD1-CD1 4.21Å; I78-I112 HydrophobicContact CG2-CD1 3.34Å; I79-I112 HydrophobicContact CD1-CG2 4.01Å; I79-I112 HydrophobicContact CG1-CD1 4.48Å; I79-I112 HydrophobicContact CG1-CG2 3.5Å; Y107-I112 HydrophobicContact CD1-CD1 3.59Å; Y107-I112 HydrophobicContact CD1-CG1 3.85Å; Y107-I112 HydrophobicContact CE1-CD1 3.64Å; Y107-I112 HydrophobicContact CE1-CG1 3.59Å; Y107-I112 PolarHBondContact O-N 2.95Å; W108-I112 HydrophobicContact CD2-CB 4.32Å; W108-I112 HydrophobicContact CD2-CG2 4.29Å; W108-I112 HydrophobicContact CE3-CB 3.83Å; W108-I112 HydrophobicContact CE3-CD1 3.8Å; W108-I112 HydrophobicContact CE3-CG1 4.42Å; W108-I112 HydrophobicContact CE3-CG2 3.51Å; W108-I112 HydrophobicContact CH2-CG2 4.07Å; W108-I112 HydrophobicContact CZ3-CB 4.24Å; W108-I112 HydrophobicContact CZ3-CD1 4.44Å; W108-I112 HydrophobicContact CZ3-CG2 3.4Å; W108-I112 PolarHBondContact O-N 2.77Å; I112-R114 VanDerWaalsContact C-N 3.29Å; I112-R114 PolarHBondContact O-N 2.89Å; I112-K115 WeakPolarHBondContact O-CB 3.45Å; I112-K115 PolarHBondContact O-N 3.48Å; I112-K115 VanDerWaalsContact O-N 3.12Å; I112-L116 HydrophobicContact CG2-CD1 3.9Å; I112-L116 HydrophobicContact CG2-CG 4.08Å; I112-L116 WeakPolarHBondContact O-CG 3.42Å; I112-L116 PolarHBondContact O-N 2.94Å
113R96.2Very high96.2Very high94 Ų9458.6 Ų58.636%0.35529%0.286SS..Hα-helixtrans-55.7-44.8177.8-74.7177.171.289.70.8112W108 H111 L117 P123W108-R113 HydrophobicContact CG-CG 4.49Å; W108-R113 HydrophobicContact CZ2-CG 4.48Å; W108-R113 WeakPolarHBondContact O-CG 3.41Å; W108-R113 PolarHBondContact O-N 3.39Å; H111-R113 PolarHBondContact O-N 3.44Å; R113-L117 VanDerWaalsContact O-CG 3.27Å; R113-L117 WeakPolarHBondContact O-CG 3.46Å; R113-L117 PolarHBondContact O-N 3.33Å; R113-L117 VanDerWaalsContact O-N 3.13Å; R113-P123 HydrophobicContact CB-CB 4.46Å; R113-P123 HydrophobicContact CG-CB 4.09Å; R113-P123 HydrophobicContact CG-CG 4.49Å
114R95.8Very high95.9Very high161 Ų16161.5 Ų61.561%0.60831%0.306SS*.Hα-helixtrans-66.5-41.9177.5-68.3-171-66.9136.9-0.3111.3T110 H111 I112 L116 L117 S118T110-R114 PolarHBondContact O-NE 3.35Å; T110-R114 PolarHBondContact O-NH2 3.3Å; H111-R114 PolarHBondContact O-N 3.41Å; H111-R114 VanDerWaalsContact O-N 3.14Å; I112-R114 VanDerWaalsContact C-N 3.29Å; I112-R114 PolarHBondContact O-N 2.89Å; R114-L116 PolarHBondContact O-N 3.04Å; R114-L117 PolarHBondContact O-N 3.26Å; R114-S118 PolarHBondContact O-N 3Å; R114-S118 PolarHBondContact O-OG 3.24Å
115K95.7Very high95.6Very high56 Ų5665 Ų6524%0.24333%0.328CS..Hα-helixtrans-58.7-46.2176.5-173.4176.9-179.5177.60111.9D75 H111 I112 S118 R119D75-K115 WeakPolarHBondContact OD2-CD 3.11Å; D75-K115 WeakPolarHBondContact OD2-CE 3.5Å; D75-K115 IonicContact OD2-NZ 2.65Å; D75-K115 PolarHBondContact OD2-NZ 3.24Å; H111-K115 PolarHBondContact O-N 2.95Å; I112-K115 WeakPolarHBondContact O-CB 3.45Å; I112-K115 PolarHBondContact O-N 3.48Å; I112-K115 VanDerWaalsContact O-N 3.12Å; K115-S118 PolarHBondContact O-N 3.08Å; K115-S118 PolarHBondContact O-OG 3.23Å; K115-R119 VanDerWaalsContact CE-CZ 3.46Å; K115-R119 WeakPolarHBondContact O-CG 3.46Å; K115-R119 PolarHBondContact O-N 2.91Å
116L96.3Very high95.4Very high5 Ų563.7 Ų63.73%0.02632%0.323CS..Hα-helixtrans-66-45.3178.6-68.2178.2000112.2I79 W108 I112 R114 S118 R119 G120 I121 P123I79-L116 HydrophobicContact CD1-CD2 4.21Å; I79-L116 HydrophobicContact CG2-CD2 4.36Å; W108-L116 HydrophobicContact CH2-CD1 3.9Å; W108-L116 HydrophobicContact CZ3-CD1 4.45Å; I112-L116 HydrophobicContact CG2-CD1 3.9Å; I112-L116 HydrophobicContact CG2-CG 4.08Å; I112-L116 WeakPolarHBondContact O-CG 3.42Å; I112-L116 PolarHBondContact O-N 2.94Å; R114-L116 PolarHBondContact O-N 3.04Å; L116-S118 VanDerWaalsContact C-N 3.32Å; L116-S118 PolarHBondContact O-N 2.93Å; L116-R119 CarbonylContact O-C 3.22Å; L116-R119 WeakPolarHBondContact O-CA 3.48Å; L116-R119 PolarHBondContact O-N 2.88Å; L116-G120 PolarHBondContact O-N 3.14Å; L116-I121 CarbonylContact C-O 3.57Å; L116-I121 HydrophobicContact CB-CB 4.3Å; L116-I121 HydrophobicContact CD2-CB 4.34Å; L116-I121 HydrophobicContact CD2-CD1 4.33Å; L116-I121 HydrophobicContact CD2-CG2 4.26Å; L116-I121 PolarHBondContact O-N 3.14Å; L116-P123 HydrophobicContact CB-CB 4.41Å; L116-P123 HydrophobicContact CD1-CB 4.01Å
117L94.8Very high95.1Very high92 Ų9268.9 Ų68.948%0.48234%0.337SS..Hα-helixtrans-60.6-41.2177.1-70171.1000112.1R113 R114 R119 G120 P123 I129R113-L117 VanDerWaalsContact O-CG 3.27Å; R113-L117 WeakPolarHBondContact O-CG 3.46Å; R113-L117 PolarHBondContact O-N 3.33Å; R113-L117 VanDerWaalsContact O-N 3.13Å; R114-L117 PolarHBondContact O-N 3.26Å; L117-R119 PolarHBondContact O-N 2.96Å; L117-G120 PolarHBondContact O-N 2.64Å; L117-P123 HydrophobicContact CD2-CG 4.34Å; L117-P123 HydrophobicContact CG-CG 4.35Å; L117-I129 HydrophobicContact CD2-CD1 4.05Å
118S94.6Very high94.8Very high98 Ų9871.7 Ų71.769%0.68536%0.36SS*.Hα-helixtrans-64.1-20.8175.467.70000114.1R114 K115 L116R114-S118 PolarHBondContact O-N 3Å; R114-S118 PolarHBondContact O-OG 3.24Å; K115-S118 PolarHBondContact O-N 3.08Å; K115-S118 PolarHBondContact O-OG 3.23Å; L116-S118 VanDerWaalsContact C-N 3.32Å; L116-S118 PolarHBondContact O-N 2.93Å
119R94.3Very high94.3Very high153 Ų15375.7 Ų75.758%0.57738%0.38SS*.THydrogen-bonded Turntrans-95.26.6176.1-67.7175.2177.1-166.2-4.8112.7K115 L116 L117 I121K115-R119 VanDerWaalsContact CE-CZ 3.46Å; K115-R119 WeakPolarHBondContact O-CG 3.46Å; K115-R119 PolarHBondContact O-N 2.91Å; L116-R119 CarbonylContact O-C 3.22Å; L116-R119 WeakPolarHBondContact O-CA 3.48Å; L116-R119 PolarHBondContact O-N 2.88Å; L117-R119 PolarHBondContact O-N 2.96Å; R119-I121 VanDerWaalsContact C-N 3.31Å; R119-I121 HydrophobicContact CB-CD1 4.19Å; R119-I121 HydrophobicContact CB-CG1 4.36Å; R119-I121 PolarHBondContact O-N 2.69Å
120G94Very high93.4Very high33 Ų3377.9 Ų77.934%0.3439%0.392SS..THydrogen-bonded Turntrans69.326.1-176.600000113.6L116 L117 P128 I129L116-G120 PolarHBondContact O-N 3.14Å; L117-G120 PolarHBondContact O-N 2.64Å; G120-P128 CarbonylContact O-C 3.52Å; G120-P128 WeakPolarHBondContact O-CA 3.25Å; G120-I129 PolarHBondContact O-N 3.17Å
121I94.8Very high91.7Very high50 Ų5084.8 Ų84.826%0.25642%0.422SS..BIsolated β-bridgetrans-111.5131.1179.6-58.1169.9000109L116 R119 P123L116-I121 CarbonylContact C-O 3.57Å; L116-I121 HydrophobicContact CB-CB 4.3Å; L116-I121 HydrophobicContact CD2-CB 4.34Å; L116-I121 HydrophobicContact CD2-CD1 4.33Å; L116-I121 HydrophobicContact CD2-CG2 4.26Å; L116-I121 PolarHBondContact O-N 3.14Å; R119-I121 VanDerWaalsContact C-N 3.31Å; R119-I121 HydrophobicContact CB-CD1 4.19Å; R119-I121 HydrophobicContact CB-CG1 4.36Å; R119-I121 PolarHBondContact O-N 2.69Å; I121-P123 WeakPolarHBondContact O-CD 3.24Å
122D94.1Very high89.5Confident46 Ų4688.8 Ų88.825%0.24644%0.44CS..  trans-71.8120.8174171.15.7000110V124 T125 H126 R127 I129D122-V124 PolarHBondContact O-N 3.03Å; D122-V124 PolarHBondContact OD1-N 2.75Å; D122-T125 WeakPolarHBondContact CB-OG1 3.49Å; D122-T125 VanDerWaalsContact CG-OG1 3.25Å; D122-T125 PolarHBondContact O-N 3.45Å; D122-T125 WeakPolarHBondContact OD2-CB 3.36Å; D122-T125 VanDerWaalsContact OD2-CG2 3.25Å; D122-T125 WeakPolarHBondContact OD2-CG2 3.39Å; D122-T125 PolarHBondContact OD2-OG1 2.94Å; D122-H126 VanDerWaalsContact O-CA 3.25Å; D122-H126 WeakPolarHBondContact O-CA 3.3Å; D122-H126 PolarHBondContact O-N 3.47Å; D122-R127 PolarHBondContact N-O 3.02Å; D122-I129 HydrophobicContact CB-CG1 3.98Å
123P94.3Very high87Confident4 Ų495.2 Ų95.23%0.02648%0.479CS..THydrogen-bonded Turntrans-64.8-20.6-178.225.9-34.7000114.3W108 R113 L116 L117 I121 H126W108-P123 HydrophobicContact CZ2-CB 4.1Å; W108-P123 VanDerWaalsContact CZ2-O 3.25Å; W108-P123 WeakPolarHBondContact CZ2-O 3.16Å; R113-P123 HydrophobicContact CB-CB 4.46Å; R113-P123 HydrophobicContact CG-CB 4.09Å; R113-P123 HydrophobicContact CG-CG 4.49Å; L116-P123 HydrophobicContact CB-CB 4.41Å; L116-P123 HydrophobicContact CD1-CB 4.01Å; L117-P123 HydrophobicContact CD2-CG 4.34Å; L117-P123 HydrophobicContact CG-CG 4.35Å; I121-P123 WeakPolarHBondContact O-CD 3.24Å; P123-H126 PolarHBondContact O-CD2 2.97Å; P123-H126 PolarHBondContact O-NE2 3.36Å; P123-H126 VanDerWaalsContact O-NE2 3.1Å
124V92Very high84.3Confident100 Ų10095.3 Ų95.361%0.60650%0.495SS*.THydrogen-bonded Turntrans-84.8-50.6179.1-178.90000110.5D122D122-V124 PolarHBondContact O-N 3.03Å; D122-V124 PolarHBondContact OD1-N 2.75Å
125T92.9Very high81.5Confident75 Ų7594.6 Ų94.646%0.4650%0.503SS..THydrogen-bonded Turntrans-89.8-15.6-174.462.10000113.9D122 R127D122-T125 WeakPolarHBondContact CB-OG1 3.49Å; D122-T125 VanDerWaalsContact CG-OG1 3.25Å; D122-T125 PolarHBondContact O-N 3.45Å; D122-T125 WeakPolarHBondContact OD2-CB 3.36Å; D122-T125 VanDerWaalsContact OD2-CG2 3.25Å; D122-T125 WeakPolarHBondContact OD2-CG2 3.39Å; D122-T125 PolarHBondContact OD2-OG1 2.94Å; T125-R127 PolarHBondContact O-N 2.91Å
126H92.5Very high79.2Confident41 Ų4199.2 Ų99.219%0.1953%0.529CS..  trans57.227-173.6-66.7-105.6000113I79 H82 S83 W108 D122 P123I79-H126 PolarHBondContact O-CE1 3.33Å; H82-H126 AromaticContact CE1-NE2 3.73Å; H82-H126 AromaticContact CG-NE2 3.87Å; H82-H126 AromaticContact ND1-CD2 3.88Å; H82-H126 AromaticContact ND1-CE1 3.78Å; H82-H126 AromaticContact ND1-NE2 2.93Å; H82-H126 PolarHBondContact ND1-NE2 2.93Å; S83-H126 VanDerWaalsContact CB-CG 3.47Å; W108-H126 AromaticContact CH2-CE1 3.57Å; W108-H126 AromaticContact CH2-NE2 3.56Å; D122-H126 VanDerWaalsContact O-CA 3.25Å; D122-H126 WeakPolarHBondContact O-CA 3.3Å; D122-H126 PolarHBondContact O-N 3.47Å; P123-H126 PolarHBondContact O-CD2 2.97Å; P123-H126 PolarHBondContact O-NE2 3.36Å; P123-H126 VanDerWaalsContact O-NE2 3.1Å
127R91.9Very high76.3Confident180 Ų180104.7 Ų104.768%0.67956%0.562SS**SBendtrans-108.9153.9177.3-65.4-177.6-176.5-172-0110.6D122 T125 I129D122-R127 PolarHBondContact N-O 3.02Å; T125-R127 PolarHBondContact O-N 2.91Å; R127-I129 PolarHBondContact O-N 2.67Å
128P91.8Very high73.9Confident98 Ų98107 Ų10764%0.63657%0.574SS**BIsolated β-bridgetrans-55.3136.2168.9-2334000110.7G120 N130G120-P128 CarbonylContact O-C 3.52Å; G120-P128 WeakPolarHBondContact O-CA 3.25Å; P128-N130 PolarHBondContact O-N 3.47Å
129I88.2Confident71.2Confident85 Ų85106.9 Ų106.944%0.43657%0.573SS.*  trans-75.3103.3172.7-60.3170.8000105.9L117 G120 D122 R127 E131L117-I129 HydrophobicContact CD2-CD1 4.05Å; G120-I129 PolarHBondContact O-N 3.17Å; D122-I129 HydrophobicContact CB-CG1 3.98Å; R127-I129 PolarHBondContact O-N 2.67Å; I129-E131 PolarHBondContact O-N 2.8Å; I129-E131 VanDerWaalsContact O-N 3.17Å
130N78.2Confident68.5Low132 Ų132109.3 Ų109.371%0.70659%0.588SS**  trans-60.8117.9177.4-79.6-9.3000109.9P128 H132P128-N130 PolarHBondContact O-N 3.47Å; N130-H132 PolarHBondContact O-N 2.63Å
131E59.1Low65.8Low188 Ų188116.1 Ų116.188%0.87961%0.611SS**  trans-69.729.5177.4-67.1-173.615400114.3I129 T133I129-E131 PolarHBondContact O-N 2.8Å; I129-E131 VanDerWaalsContact O-N 3.17Å; E131-T133 PolarHBondContact O-N 3.27Å
132H51.6Low62.8Low174 Ų174120.9 Ų120.981%0.80664%0.637SS**  trans-95.466.6175-72.1-65.9000111.2N130N130-H132 PolarHBondContact O-N 2.63Å
133T43.8Very low60Low134 Ų134128.8 Ų128.882%0.82266%0.663SS**  trans-134.389.6148.1-27.30000108.2E131E131-T133 PolarHBondContact O-N 3.27Å
134S40.2Very low57.1Low97 Ų97131.6 Ų131.668%0.67869%0.693SS**  trans-40.9133165.745.70000114.2
135N37.5Very low54.6Low146 Ų146135.9 Ų135.978%0.78171%0.706SS**  trans52.981.1147.5-55-11.8000117.5
136I45.6Very low51.9Low153 Ų153136.1 Ų136.179%0.78572%0.724SS**  trans-85.897138.3-63.5178.5000106I138I136-I138 HydrophobicContact CG2-CD1 4.41Å; I136-I138 HydrophobicContact CG2-CG1 3.68Å; I136-I138 PolarHBondContact O-N 3.35Å
137T37.1Very low49.4Very low119 Ų119141.9 Ų141.973%0.7375%0.748SS**  trans-61.798.7161.1-55.30000107.1S139T137-S139 PolarHBondContact O-N 2.8Å
138I43.6Very low47Very low142 Ų142137.8 Ų137.873%0.72875%0.753SS**  trans-81.595.7162.8-60.3-164000106I136 F140I136-I138 HydrophobicContact CG2-CD1 4.41Å; I136-I138 HydrophobicContact CG2-CG1 3.68Å; I136-I138 PolarHBondContact O-N 3.35Å; I138-F140 PolarHBondContact O-N 3.45Å; I138-F140 VanDerWaalsContact O-N 3.14Å
139S37.5Very low44.9Very low94 Ų94141.2 Ų141.266%0.65777%0.765SS**  trans-54.9113159.4450000108.2T137 E141T137-S139 PolarHBondContact O-N 2.8Å; S139-E141 PolarHBondContact O-N 3.32Å; S139-E141 VanDerWaalsContact O-N 3.09Å
140F37Very low42.8Very low204 Ų204146.9 Ų146.990%0.89579%0.786SS**  trans-74.585.8175.8-179.1-96.3000109I138I138-F140 PolarHBondContact O-N 3.45Å; I138-F140 VanDerWaalsContact O-N 3.14Å
141E38.4Very low41.5Very low177 Ų177145.8 Ų145.883%0.82779%0.788SS**  trans-134102.4161.5-76.4-177153.700108.5S139S139-E141 PolarHBondContact O-N 3.32Å; S139-E141 VanDerWaalsContact O-N 3.09Å
142D31.2Very low41.3Very low150 Ų150142.7 Ų142.780%0.80278%0.784SS**  trans42.486.2150.4-154.322.8000118.1
143W35.9Very low40.7Very low211 Ų211141.2 Ų141.280%0.79978%0.782SS**  trans-132.693.1153-108.819000109.3Q145 K147W143-Q145 PolarHBondContact O-N 3.18Å; W143-K147 HydrophobicContact CZ3-CD 4.01Å
144G34.2Very low40.9Very low63 Ų63142.7 Ų142.765%0.64978%0.784SS**  trans-52.4133161.600000110.8
145Q39.1Very low41.1Very low190 Ų190145.2 Ų145.289%0.88879%0.79SS**SBendtrans77.390.8173-57.7171.86.500114.9W143W143-Q145 PolarHBondContact O-N 3.18Å
146G35Very low41.4Very low80 Ų80144.5 Ų144.583%0.82579%0.785SS**  trans-58.2131.2-175.300000115A148G146-A148 PolarHBondContact O-N 3.47Å
147K40.1Very low41.1Very low163 Ų163144.2 Ų144.271%0.70979%0.785SS**  trans-77.3113.7170.4-74.2173.1176.4166.60109.6W143W143-K147 HydrophobicContact CZ3-CD 4.01Å
148A42.8Very low41.3Very low93 Ų93145.2 Ų145.277%0.76979%0.786SS**  trans-58.7132.6174.100000111.7G146 K150G146-A148 PolarHBondContact O-N 3.47Å; A148-K150 PolarHBondContact O-N 3.35Å; A148-K150 VanDerWaalsContact O-N 3.09Å
149L47.5Very low41.4Very low171 Ų171144.1 Ų144.190%0.89579%0.789SS**  trans-58.7113.7161.6-89.896.1000108.2C151L149-C151 PolarHBondContact O-N 3.35Å; L149-C151 VanDerWaalsContact O-N 3.13Å
150K44.6Very low42Very low204 Ų204146.5 Ų146.589%0.88779%0.793SS**  trans-7598.2178.6-127.9173-179.2178.50108.8A148A148-K150 PolarHBondContact O-N 3.35Å; A148-K150 VanDerWaalsContact O-N 3.09Å
151C50.9Low42.4Very low108 Ų108141.7 Ų141.773%0.7379%0.785SS**  trans-64.8137.3159.2-64.10000108.2L149 D153L149-C151 PolarHBondContact O-N 3.35Å; L149-C151 VanDerWaalsContact O-N 3.13Å; C151-D153 PolarHBondContact O-N 3.17Å
152P53.9Low43.3Very low124 Ų124138.3 Ų138.381%0.80578%0.778SS**  trans-65122.61769-3.6000109.7L154P152-L154 PolarHBondContact O-N 3.18Å
153D38.7Very low44.4Very low143 Ų143137 Ų13777%0.76578%0.778SS**  trans-35.5113.2173.6-95.4-55.2000113.5C151C151-D153 PolarHBondContact O-N 3.17Å
154L49Very low44.6Very low165 Ų165132.6 Ų132.686%0.86478%0.778SS**  trans-132.193.7149.3-89.5164.5000106.7P152 L156P152-L154 PolarHBondContact O-N 3.18Å; L154-L156 PolarHBondContact O-N 3.38Å
155N44.2Very low44.7Very low150 Ų150138 Ų13880%0.80279%0.787SS**  trans-31.2105.8167.8-91-73000111.7
156L43.3Very low44.6Very low130 Ų130137.8 Ų137.868%0.68179%0.785SS**  trans-13068.4169.5-164.575.6000109.1T110 L154T110-L156 HydrophobicContact CG2-CD2 3.9Å; L154-L156 PolarHBondContact O-N 3.38Å
157D38.5Very low44.5Very low147 Ų147142 Ų14279%0.78678%0.783SS**  trans-107.684.5155-81.2-35.6000107.8
158L42.7Very low44.6Very low141 Ų141142.8 Ų142.874%0.73879%0.79SS**  trans-138.372.3164.5-79.7174.6000108.7I160L158-I160 PolarHBondContact O-N 2.85Å
159C45.1Very low44.3Very low119 Ų119146.6 Ų146.680%0.80479%0.791SS**  trans-70.6100.8156.5-53.60000107
160I50.8Low43.9Very low144 Ų144143 Ų14374%0.73879%0.786SS**  trans-100.781.9164.3-54.1176.5000106.2L158L158-I160 PolarHBondContact O-N 2.85Å
161S44.7Very low43.8Very low102 Ų102142.4 Ų142.471%0.71379%0.789SS**PPolyproline II helixtrans-78.6130.9159-62.50000107.7
162P56.8Low43.6Very low107 Ų107144.9 Ų144.970%0.69579%0.794SS**PPolyproline II helixtrans-60.4143165.4-15.529.2000109.2C164P162-C164 PolarHBondContact O-N 3.49Å
163P54.4Low43Very low122 Ų122145.7 Ų145.779%0.79279%0.791SS**PPolyproline II helixtrans-64.2123.2174.925.5-30.4000109.5Q165P163-Q165 PolarHBondContact O-N 3.41Å
164C41.1Very low43.1Very low119 Ų119149.3 Ų149.380%0.80479%0.794SS**PPolyproline II helixtrans-59.8130.4163.5-68.50000108.2P162 E166P162-C164 PolarHBondContact O-N 3.49Å; C164-E166 PolarHBondContact O-N 3.27Å
165Q35.3Very low42.5Very low177 Ų177147.3 Ų147.383%0.82779%0.791SS**  trans-76.9113.2168.5-63.1178-8700107.2P163P163-Q165 PolarHBondContact O-N 3.41Å
166E36.7Very low42.3Very low184 Ų184146.8 Ų146.886%0.8679%0.793SS**  trans-101.6110.6159.4-75.4175.5-179.700106.6C164C164-E166 PolarHBondContact O-N 3.27Å
167E34.3Very low42Very low168 Ų168150 Ų15079%0.78580%0.801SS**  trans-79.4155.7159.5-65.4177.5170.600107.8
168E40.3Very low41.9Very low180 Ų180152.9 Ų152.984%0.84180%0.801SS**  trans92.6132.7-174-67.2178.9130.900114.6
169E38.3Very low41.7Very low173 Ų173155.6 Ų155.681%0.80881%0.81SS**  cis-168.1158-10.9-166.6173.1168.700104.5
170A39.1Very low41.9Very low95 Ų95157 Ų15779%0.78581%0.805SS**  trans-56.3138.3-16900000116.1
171M41.4Very low42.3Very low193 Ų193154.5 Ų154.595%0.95181%0.805SS**  trans-151112.2139.5-123.5-178.5-169.800112.6
172L46.8Very low43.3Very low160 Ų160153.1 Ų153.184%0.83881%0.807SS**  trans-48140.8163.3-78.2144.7000111.3
173L42.1Very low44.2Very low141 Ų141152.5 Ų152.574%0.73880%0.798SS**  173.8112.2120.2-87.1162.4000113.2
174R40Very low45.4Very low218 Ų218148.7 Ų148.782%0.82377%0.774SS**  trans73.9131.3140.7-57.5-174.6-175.6-161.52.5121.6
175P36.7Very low47.2Very low124 Ų124150.6 Ų150.681%0.80577%0.768SS**  trans-80.9129.8172.731.6-29.7000111.7
176V40.2Very low49.2Very low138 Ų138143.5 Ų143.584%0.83674%0.739SS**  trans-88.4112.9166.1178.70000108.1R178V176-R178 PolarHBondContact O-N 3.24Å
177K37.3Very low51.4Low197 Ų197135.1 Ų135.186%0.85770%0.7SS**  trans-69.6110.4167-69.3-179.1178.2179.50107.8
178R36.5Very low53.5Low208 Ų208130.7 Ų130.779%0.78569%0.688SS**  trans-94.4109.6166.8-159.5177.8-163177.34.8108.1V176 E180V176-R178 PolarHBondContact O-N 3.24Å; R178-E180 VanDerWaalsContact C-N 3.32Å; R178-E180 HydrophobicContact CG-CG 4.28Å; R178-E180 PolarHBondContact O-N 3.44Å
179E36.9Very low55.3Low198 Ų198127 Ų12793%0.92567%0.673SS**  trans-68.891.2166.6-70178139.600108
180E50.4Low57.2Low150 Ų150121.3 Ų121.370%0.70166%0.661SS**  trans-86.2107.1164.4-75.5-169.8170.300108.2R178 G182R178-E180 VanDerWaalsContact C-N 3.32Å; R178-E180 HydrophobicContact CG-CG 4.28Å; R178-E180 PolarHBondContact O-N 3.44Å; E180-G182 PolarHBondContact O-N 3.41Å
181A60Low59Low90 Ų90121.3 Ų121.374%0.74465%0.647SS**  trans-59.3100.5172.900000109.4L183A181-L183 PolarHBondContact O-N 3.21Å
182G65.5Low60.4Low73 Ų73117.5 Ų117.575%0.75364%0.637SS**PPolyproline II helixtrans-63.2128.5178.300000111.7E180E180-G182 PolarHBondContact O-N 3.41Å
183L75.1Confident61.6Low95 Ų95115.6 Ų115.650%0.49762%0.622SS.*PPolyproline II helixtrans-66.5141169.5-65.2170.4000109.8A181 C187 C199A181-L183 PolarHBondContact O-N 3.21Å; L183-C187 HydrophobicContact CB-CB 4.04Å; L183-C187 HydrophobicContact CD2-CB 4.19Å; L183-C199 HydrophobicContact CD2-CB 4.38Å
184C80.3Confident63Low42 Ų42111.4 Ų111.428%0.28461%0.605SS.*PPolyproline II helixtrans-65159.317277.60000111.2S186 C187 S188 C197 C199C184-S186 PolarHBondContact O-N 3.42Å; C184-S186 VanDerWaalsContact O-N 3.14Å; C184-C187 WeakPolarHBondContact O-CA 3.34Å; C184-C187 PolarHBondContact O-N 2.84Å; C184-C187 VanDerWaalsContact SG-SG 3.63Å; C184-S188 PolarHBondContact O-N 3.44Å; C184-S188 PolarHBondContact O-OG 2.84Å; C184-S188 VanDerWaalsContact O-OG 3.05Å; C184-C197 VanDerWaalsContact SG-SG 3.62Å; C184-C199 PolarHBondContact N-SG 2.89Å
185F77.3Confident64.7Low158 Ų158106.2 Ų106.269%0.69361%0.608SS**Hα-helixtrans-49.5-41-179.2-175.7-103.6000113.6S188 L189F185-S188 VanDerWaalsContact CA-OG 3.29Å; F185-S188 WeakPolarHBondContact CA-OG 3.34Å; F185-S188 PolarHBondContact O-N 2.84Å; F185-S188 PolarHBondContact O-OG 3.17Å; F185-S188 VanDerWaalsContact O-OG 3.07Å; F185-L189 HydrophobicContact CD1-CD1 3.93Å; F185-L189 HydrophobicContact CE1-CD1 3.4Å; F185-L189 HydrophobicContact CE1-CG 4.45Å; F185-L189 HydrophobicContact CE2-CD1 4.21Å; F185-L189 HydrophobicContact CZ-CD1 3.57Å; F185-L189 HydrophobicContact CZ-CG 4.42Å; F185-L189 VanDerWaalsContact O-CG 3.32Å; F185-L189 WeakPolarHBondContact O-CG 3.43Å; F185-L189 PolarHBondContact O-N 3.05Å; F185-L189 VanDerWaalsContact O-N 3.16Å
186S78.7Confident66.5Low29 Ų29107.1 Ų107.120%0.20361%0.606CS.*Hα-helixtrans-67-39.8177.6-48.10000112.3C184 L189 G190 L191C184-S186 PolarHBondContact O-N 3.42Å; C184-S186 VanDerWaalsContact O-N 3.14Å; S186-L189 PolarHBondContact O-N 3.32Å; S186-G190 PolarHBondContact O-N 3.08Å; S186-L191 WeakPolarHBondContact O-CB 3.18Å; S186-L191 PolarHBondContact O-N 3.49Å
187C81.7Confident68.3Low7 Ų7101.7 Ų101.75%0.04757%0.574CS.*Hα-helixtrans-72.8-33.7178-72.80000112.6L183 C184 L189 G190L183-C187 HydrophobicContact CB-CB 4.04Å; L183-C187 HydrophobicContact CD2-CB 4.19Å; C184-C187 WeakPolarHBondContact O-CA 3.34Å; C184-C187 PolarHBondContact O-N 2.84Å; C184-C187 VanDerWaalsContact SG-SG 3.63Å; C187-L189 PolarHBondContact O-N 2.86Å; C187-G190 PolarHBondContact O-N 3.48Å
188S78.7Confident70.1Confident75 Ų75102 Ų10252%0.52458%0.575SS.*Hα-helixtrans-70.4-20.6172.940.10000113C184 F185C184-S188 PolarHBondContact O-N 3.44Å; C184-S188 PolarHBondContact O-OG 2.84Å; C184-S188 VanDerWaalsContact O-OG 3.05Å; F185-S188 VanDerWaalsContact CA-OG 3.29Å; F185-S188 WeakPolarHBondContact CA-OG 3.34Å; F185-S188 PolarHBondContact O-N 2.84Å; F185-S188 PolarHBondContact O-OG 3.17Å; F185-S188 VanDerWaalsContact O-OG 3.07Å
189L78.3Confident72.2Confident102 Ų10292.9 Ų92.953%0.53454%0.543SS..THydrogen-bonded Turntrans-910.4171.7-67-178.2000114.6F185 S186 C187 L191F185-L189 HydrophobicContact CD1-CD1 3.93Å; F185-L189 HydrophobicContact CE1-CD1 3.4Å; F185-L189 HydrophobicContact CE1-CG 4.45Å; F185-L189 HydrophobicContact CE2-CD1 4.21Å; F185-L189 HydrophobicContact CZ-CD1 3.57Å; F185-L189 HydrophobicContact CZ-CG 4.42Å; F185-L189 VanDerWaalsContact O-CG 3.32Å; F185-L189 WeakPolarHBondContact O-CG 3.43Å; F185-L189 PolarHBondContact O-N 3.05Å; F185-L189 VanDerWaalsContact O-N 3.16Å; S186-L189 PolarHBondContact O-N 3.32Å; C187-L189 PolarHBondContact O-N 2.86Å; L189-L191 HydrophobicContact CB-CD1 4.07Å; L189-L191 HydrophobicContact CB-CG 4.11Å; L189-L191 HydrophobicContact CD1-CD1 4.11Å; L189-L191 PolarHBondContact O-N 3.11Å
190G77.5Confident73.6Confident54 Ų5488 Ų8856%0.55753%0.531SS*.THydrogen-bonded Turntrans67.517.6-175.800000114.1S186 C187S186-G190 PolarHBondContact O-N 3.08Å; C187-G190 PolarHBondContact O-N 3.48Å
191L76.8Confident74Confident95 Ų9587.1 Ų87.150%0.49753%0.531SS..PPolyproline II helixtrans-76.1147.4175.8-69.2167.5000110.3S186 L189S186-L191 WeakPolarHBondContact O-CB 3.18Å; S186-L191 PolarHBondContact O-N 3.49Å; L189-L191 HydrophobicContact CB-CD1 4.07Å; L189-L191 HydrophobicContact CB-CG 4.11Å; L189-L191 HydrophobicContact CD1-CD1 4.11Å; L189-L191 PolarHBondContact O-N 3.11Å
192P72.4Confident73.4Confident113 Ų11388.2 Ų88.273%0.73452%0.519SS*.PPolyproline II helixtrans-55145.317320.7-29.8000110.9S194P192-S194 PolarHBondContact O-N 3.02Å
193K71.9Confident72.9Confident121 Ų12192.3 Ų92.353%0.52652%0.523SS..PPolyproline II helixtrans-49.5122.5-177.8-78.9-172.2170-1700110.5C197 C199K193-C197 HydrophobicContact CB-CB 4.24Å; K193-C197 HydrophobicContact CG-CB 4.34Å; K193-C199 PolarHBondContact NZ-O 3.34Å; K193-C199 VanDerWaalsContact NZ-O 3.13Å
194S71.3Confident71.4Confident53 Ų5390.7 Ų90.737%0.37153%0.529SS..PPolyproline II helixtrans-69.9157.7165.167.20000110P192 D196 C197P192-S194 PolarHBondContact O-N 3.02Å; S194-D196 PolarHBondContact O-N 3.23Å; S194-C197 VanDerWaalsContact O-CB 3.23Å; S194-C197 WeakPolarHBondContact O-CB 3.48Å; S194-C197 PolarHBondContact O-N 2.93Å
195A74.4Confident69.9Low108 Ų10896.8 Ų96.889%0.89356%0.558SS**THydrogen-bonded Turntrans-55.7-24.6177.700000113.2
196D75.5Confident68.3Low144 Ų144100.3 Ų100.377%0.7757%0.567SS**THydrogen-bonded Turntrans-96.36.9-179.7-55-52.7000114.1S194 K198S194-D196 PolarHBondContact O-N 3.23Å; D196-K198 PolarHBondContact O-N 3.01Å
197C77.2Confident66.6Low23 Ų23105.3 Ų105.316%0.15560%0.596CS.*  trans-75.6116.7-176.3-178.80000112.4C184 K193 S194 C199C184-C197 VanDerWaalsContact SG-SG 3.62Å; K193-C197 HydrophobicContact CB-CB 4.24Å; K193-C197 HydrophobicContact CG-CB 4.34Å; S194-C197 VanDerWaalsContact O-CB 3.23Å; S194-C197 WeakPolarHBondContact O-CB 3.48Å; S194-C197 PolarHBondContact O-N 2.93Å; C197-C199 VanDerWaalsContact SG-CB 3.55Å; C197-C199 PolarHBondContact SG-N 3.45Å
198K76.5Confident64.7Low205 Ų205109.1 Ų109.189%0.89163%0.628SS**  trans-93.68.1175-61.5-175.1-179.3-178.40114.3D196 S200D196-K198 PolarHBondContact O-N 3.01Å; K198-S200 PolarHBondContact O-N 3.42Å
199C79.8Confident63Low15 Ų15113.7 Ų113.710%0.10164%0.643CS.*  trans-67118.4-179.4-58.90000110.9L183 C184 K193 C197L183-C199 HydrophobicContact CD2-CB 4.38Å; C184-C199 PolarHBondContact N-SG 2.89Å; K193-C199 PolarHBondContact NZ-O 3.34Å; K193-C199 VanDerWaalsContact NZ-O 3.13Å; C197-C199 VanDerWaalsContact SG-CB 3.55Å; C197-C199 PolarHBondContact SG-N 3.45Å
200S66.8Low61.1Low96 Ų96116 Ų11667%0.67166%0.655SS**SBendtrans-76.8-20.6-16843.70000114.9K198K198-S200 PolarHBondContact O-N 3.42Å
201N58.5Low59.6Low131 Ų131119.7 Ų119.770%0.70166%0.662SS**  trans-144.397.1-178.4-76.3-46.8000111.6
202F47.1Very low58.1Low113 Ų113124.1 Ų124.150%0.49668%0.678SS.*  trans-122.485.7160-153.8-90.4000107G204F202-G204 PolarHBondContact O-N 2.8Å
203L54.4Low57Low160 Ų160129.6 Ų129.684%0.83868%0.684SS**  trans-75109.1164.6-75.1166.6000106.2L205L203-L205 PolarHBondContact O-N 3.1Å; L203-L205 VanDerWaalsContact O-N 3.17Å
204G45Very low55.8Low61 Ų61135 Ų13563%0.62970%0.701SS**  trans-58.9116.7-176.400000112F202 R206F202-G204 PolarHBondContact O-N 2.8Å; G204-R206 VanDerWaalsContact C-N 3.3Å; G204-R206 PolarHBondContact O-N 3.46Å; G204-R206 VanDerWaalsContact O-N 3.16Å
205L47.4Very low54.4Low170 Ų170140.1 Ų140.189%0.8972%0.723SS**  trans-73.794.1147.6-92.1111.4000107.5L203 T207L203-L205 PolarHBondContact O-N 3.1Å; L203-L205 VanDerWaalsContact O-N 3.17Å; L205-T207 PolarHBondContact O-N 3.38Å
206R44.4Very low53.2Low232 Ų232142.7 Ų142.788%0.87572%0.717SS**  trans-57.1126.9145-71.7-178.6172.1-152.4-1.7106.1G204G204-R206 VanDerWaalsContact C-N 3.3Å; G204-R206 PolarHBondContact O-N 3.46Å; G204-R206 VanDerWaalsContact O-N 3.16Å
207T43.7Very low51.8Low133 Ų133143.4 Ų143.482%0.81672%0.717SS**  trans175.3127132.5-68.60000110.3L205L205-T207 PolarHBondContact O-N 3.38Å
208A41Very low50.8Low87 Ų87156 Ų15672%0.71977%0.769SS**  trans66.785156.700000119.4
209M43.9Very low49.5Very low171 Ų171153.5 Ų153.584%0.84276%0.763SS**  trans-36.3124.3135.5-173-169.4-165.300112.9
210L38.7Very low47.9Very low151 Ų151160.8 Ų160.879%0.79180%0.798SS**  trans-142.294.1148.5-77.4-177.2000108.4F212L210-F212 HydrophobicContact CB-CD2 4.46Å; L210-F212 HydrophobicContact CD2-CE2 4.32Å
211D44.5Very low46.9Very low131 Ų131164.4 Ų164.470%0.70181%0.805SS**  trans-87.9110.3169.2-162-8.4000107.5
212F46.8Very low46.2Very low188 Ų188166.4 Ų166.483%0.82581%0.811SS**  trans-112.969.6174.1-94-85.5000109.2L210L210-F212 HydrophobicContact CB-CD2 4.46Å; L210-F212 HydrophobicContact CD2-CE2 4.32Å
213R48.2Very low46.2Very low229 Ų229169.7 Ų169.786%0.86483%0.831SS**  trans-137.7121.5154.3-75.6-173.3-174.7168.53.3107.6
214R46.5Very low45.6Very low235 Ų235170.3 Ų170.389%0.88783%0.831SS**  trans132.8139.7152.3-163.8171.6-134.8170.1-0.1112.1
215L43.3Very low45.7Very low160 Ų160178.1 Ų178.184%0.83885%0.845SS**  trans88.587.3-177-61.1138.3000111.6
216E47.7Very low45.5Very low162 Ų162178.8 Ų178.876%0.75784%0.842SS**  cis57.4114.846.7-103.3-172.4179.900114.9
217M47.2Very low45.6Very low158 Ų158174.3 Ų174.378%0.77884%0.839SS**  trans7785150.6-53.3-164.5-169.300120.2
218K55.9Low45.8Very low287 Ų287178.1 Ų178.1100%1.24884%0.841SS**  1740105.2-98.6178.7179.2173.80110.7

Retrieved 218 of 218 residues in 86 ms (Link to these results)

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