A0A096N8D2_PAPAN Loading...

Tripartite motif-containing protein 5

AlphaFold DB (A0A2K6DPC8), UniProt , Accession A0A096N8D2, Species PAPAN (Papio anubis, Olive baboon), Gene TRIM55, Length 548 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
1M33.3Very low42.2Very low242 Ų242129.4 Ų129.4100%1.19270%0.696SS**  01360-68.6177177.100107.5A3M1-A3 PolarHBondContact O-N 3.06Å
2S33.5Very low43.4Very low119 Ų119130.2 Ų130.283%0.83269%0.688SS**  trans-76.8106.2-169-48.30000112.2S4S2-S4 VanDerWaalsContact C-N 3.33Å; S2-S4 PolarHBondContact O-N 2.77Å
3A40.1Very low44.6Very low77 Ų77128.4 Ų128.464%0.63667%0.674SS**  trans-75.584.1172.100000110.1M1 L5M1-A3 PolarHBondContact O-N 3.06Å; A3-L5 HydrophobicContact CB-CD2 4.33Å; A3-L5 HydrophobicContact CB-CG 4.09Å; A3-L5 PolarHBondContact O-N 2.93Å
4S36.5Very low45.7Very low117 Ų117126.1 Ų126.182%0.81866%0.658SS**  trans-70.572.2170.1-64.80000110.3S2 N6S2-S4 VanDerWaalsContact C-N 3.33Å; S2-S4 PolarHBondContact O-N 2.77Å; S4-N6 PolarHBondContact O-N 3.36Å
5L43.2Very low47Very low146 Ų146124.8 Ų124.876%0.76465%0.647SS**  trans-68.890.2-172.7-68.7175.1000112.6A3 Y7A3-L5 HydrophobicContact CB-CD2 4.33Å; A3-L5 HydrophobicContact CB-CG 4.09Å; A3-L5 PolarHBondContact O-N 2.93Å; L5-Y7 PolarHBondContact O-N 3.25Å
6N47.4Very low48.5Very low118 Ų118121.6 Ų121.663%0.63164%0.635SS**SBendtrans49.3-1.9150.5-105.6-4.6000121.5S4 K8 S9 F10S4-N6 PolarHBondContact O-N 3.36Å; N6-K8 VanDerWaalsContact C-N 3.26Å; N6-K8 PolarHBondContact O-N 3.31Å; N6-S9 WeakPolarHBondContact O-CA 3.2Å; N6-S9 VanDerWaalsContact O-CB 3.31Å; N6-S9 WeakPolarHBondContact O-CB 3.38Å; N6-S9 PolarHBondContact O-N 2.82Å; N6-S9 PolarHBondContact O-OG 2.77Å; N6-S9 PolarHBondContact OD1-OG 3.43Å; N6-F10 PolarHBondContact O-N 3.32Å; N6-F10 VanDerWaalsContact O-N 3.09Å
7Y41.9Very low49.8Very low196 Ų196117.8 Ų117.877%0.76961%0.614SS**Hα-helixtrans-61.4-34.4-176.3-164.9-95.9000112.7L5 S9 S11L5-Y7 PolarHBondContact O-N 3.25Å; Y7-S9 VanDerWaalsContact C-N 3.34Å; Y7-S11 WeakPolarHBondContact O-CB 3.43Å; Y7-S11 PolarHBondContact O-N 2.86Å
8K42.2Very low51.1Low190 Ų190114.1 Ų114.183%0.82660%0.595SS**Hα-helixtrans-71.2-24.9174.4-68.1-169.9176.7-173.30113.8N6 K12N6-K8 VanDerWaalsContact C-N 3.26Å; N6-K8 PolarHBondContact O-N 3.31Å; K8-K12 WeakPolarHBondContact O-CB 3.46Å; K8-K12 PolarHBondContact O-N 3.19Å
9S46.3Very low52.6Low40 Ų40112.7 Ų112.728%0.2859%0.589SS.*Hα-helixtrans-72.3-59172.5-390000108.1N6 Y7 S11 K12 E13N6-S9 WeakPolarHBondContact O-CA 3.2Å; N6-S9 VanDerWaalsContact O-CB 3.31Å; N6-S9 WeakPolarHBondContact O-CB 3.38Å; N6-S9 PolarHBondContact O-N 2.82Å; N6-S9 PolarHBondContact O-OG 2.77Å; N6-S9 PolarHBondContact OD1-OG 3.43Å; Y7-S9 VanDerWaalsContact C-N 3.34Å; S9-S11 VanDerWaalsContact C-N 3.31Å; S9-S11 PolarHBondContact O-N 3.02Å; S9-K12 CarbonylContact O-C 3.16Å; S9-K12 WeakPolarHBondContact O-CA 3.39Å; S9-K12 WeakPolarHBondContact O-CB 3.34Å; S9-K12 PolarHBondContact O-N 3.19Å; S9-E13 VanDerWaalsContact C-CD 3.45Å; S9-E13 WeakPolarHBondContact CB-OE2 3.26Å; S9-E13 PolarHBondContact O-N 2.94Å; S9-E13 VanDerWaalsContact O-OE2 3.06Å
10F44.5Very low54Low129 Ų129111.2 Ų111.257%0.56658%0.581SS**Hα-helixtrans-56.7-41.2-176.6-147.7-88.5000112.9N6 K12 E13 Q14N6-F10 PolarHBondContact O-N 3.32Å; N6-F10 VanDerWaalsContact O-N 3.09Å; F10-K12 VanDerWaalsContact C-N 3.31Å; F10-K12 PolarHBondContact O-N 3.32Å; F10-E13 PolarHBondContact N-OE2 3.5Å; F10-Q14 WeakPolarHBondContact O-CB 3.21Å; F10-Q14 PolarHBondContact O-N 3.33Å
11S55.6Low55.4Low49 Ų49109.1 Ų109.134%0.34357%0.568SS.*Hα-helixtrans-65.2-31.9174.8-178.20000113.3Y7 S9 Q15Y7-S11 WeakPolarHBondContact O-CB 3.43Å; Y7-S11 PolarHBondContact O-N 2.86Å; S9-S11 VanDerWaalsContact C-N 3.31Å; S9-S11 PolarHBondContact O-N 3.02Å; S11-Q15 WeakPolarHBondContact O-CB 3.37Å; S11-Q15 WeakPolarHBondContact O-CG 3.31Å; S11-Q15 PolarHBondContact O-N 2.93Å
12K55.8Low57.7Low139 Ų139104.4 Ų104.460%0.60454%0.541SS*.Hα-helixtrans-79.6-41.1177.7-172.2176.6-178.5178.80111.7K8 S9 F10 Q15 T16K8-K12 WeakPolarHBondContact O-CB 3.46Å; K8-K12 PolarHBondContact O-N 3.19Å; S9-K12 CarbonylContact O-C 3.16Å; S9-K12 WeakPolarHBondContact O-CA 3.39Å; S9-K12 WeakPolarHBondContact O-CB 3.34Å; S9-K12 PolarHBondContact O-N 3.19Å; F10-K12 VanDerWaalsContact C-N 3.31Å; F10-K12 PolarHBondContact O-N 3.32Å; K12-Q15 PolarHBondContact O-N 2.89Å; K12-T16 WeakPolarHBondContact O-CG2 3.42Å; K12-T16 PolarHBondContact O-N 3.13Å; K12-T16 PolarHBondContact O-OG1 3.37Å
13E59Low60Low107 Ų107105.6 Ų105.650%0.553%0.533SS..Hα-helixtrans-57.4-48.5170.4-80.895.9-118.500110.7S9 F10 Q15 T16 M17S9-E13 VanDerWaalsContact C-CD 3.45Å; S9-E13 WeakPolarHBondContact CB-OE2 3.26Å; S9-E13 PolarHBondContact O-N 2.94Å; S9-E13 VanDerWaalsContact O-OE2 3.06Å; F10-E13 PolarHBondContact N-OE2 3.5Å; E13-Q15 PolarHBondContact O-N 3.18Å; E13-T16 PolarHBondContact O-N 2.94Å; E13-T16 VanDerWaalsContact O-N 3.14Å; E13-T16 PolarHBondContact O-OG1 2.91Å; E13-M17 PolarHBondContact O-N 2.98Å
14Q60.3Low62.3Low97 Ų97102.5 Ų102.545%0.45351%0.506SS..Hα-helixtrans-58.4-50.5175.2-172.163.450.700111.7F10 T16 M17 D18F10-Q14 WeakPolarHBondContact O-CB 3.21Å; F10-Q14 PolarHBondContact O-N 3.33Å; Q14-T16 PolarHBondContact O-N 3.45Å; Q14-M17 WeakPolarHBondContact O-CA 3.39Å; Q14-M17 WeakPolarHBondContact O-CB 3.47Å; Q14-M17 PolarHBondContact O-N 3.18Å; Q14-D18 PolarHBondContact NE2-OD1 3.08Å; Q14-D18 PolarHBondContact O-N 3.2Å
15Q65.4Low64.8Low106 Ų10699.8 Ų99.850%0.49548%0.482SS..Hα-helixtrans-57.3-33.8176.5-77.2167.17.700112.8S11 K12 E13 N19S11-Q15 WeakPolarHBondContact O-CB 3.37Å; S11-Q15 WeakPolarHBondContact O-CG 3.31Å; S11-Q15 PolarHBondContact O-N 2.93Å; K12-Q15 PolarHBondContact O-N 2.89Å; E13-Q15 PolarHBondContact O-N 3.18Å; Q15-N19 WeakPolarHBondContact O-CB 3.44Å; Q15-N19 PolarHBondContact O-N 3.25Å; Q15-N19 VanDerWaalsContact O-N 3.12Å; Q15-N19 PolarHBondContact O-ND2 3.18Å
16T71.5Confident67Low74 Ų7492.8 Ų92.845%0.45445%0.445SS..Hα-helixtrans-70.2-36.1173.653.30000113K12 E13 Q14 L20K12-T16 WeakPolarHBondContact O-CG2 3.42Å; K12-T16 PolarHBondContact O-N 3.13Å; K12-T16 PolarHBondContact O-OG1 3.37Å; E13-T16 PolarHBondContact O-N 2.94Å; E13-T16 VanDerWaalsContact O-N 3.14Å; E13-T16 PolarHBondContact O-OG1 2.91Å; Q14-T16 PolarHBondContact O-N 3.45Å; T16-L20 VanDerWaalsContact O-CG 3.31Å; T16-L20 WeakPolarHBondContact O-CG 3.43Å; T16-L20 PolarHBondContact O-N 3.45Å
17M70.4Confident69Low56 Ų5690.2 Ų90.228%0.27644%0.435SS..Hα-helixtrans-67.1-44.1174.1-66.9-65-74.800111.7E13 Q14 N19 L20 E21 Y108E13-M17 PolarHBondContact O-N 2.98Å; Q14-M17 WeakPolarHBondContact O-CA 3.39Å; Q14-M17 WeakPolarHBondContact O-CB 3.47Å; Q14-M17 PolarHBondContact O-N 3.18Å; M17-N19 VanDerWaalsContact C-N 3.29Å; M17-N19 PolarHBondContact O-N 2.93Å; M17-L20 PolarHBondContact O-N 3.05Å; M17-L20 VanDerWaalsContact O-N 3.16Å; M17-L20 HydrophobicContact SD-CD1 4.48Å; M17-E21 PolarHBondContact O-N 2.9Å; M17-Y108 HydrophobicContact CE-CD2 3.8Å; M17-Y108 HydrophobicContact CE-CE2 3.71Å
18D73.6Confident71.1Confident52 Ų5284.5 Ų84.528%0.27842%0.417SS..Hα-helixtrans-63.4-34.1177.9-53.4-21000112.2Q14 K22Q14-D18 PolarHBondContact NE2-OD1 3.08Å; Q14-D18 PolarHBondContact O-N 3.2Å; D18-K22 WeakPolarHBondContact O-CD 3.26Å; D18-K22 WeakPolarHBondContact O-CG 3.37Å; D18-K22 PolarHBondContact O-N 3.07Å
19N78.5Confident73.4Confident88 Ų8877.6 Ų77.647%0.47139%0.392SS..Hα-helixtrans-75.3-33.5175.4-82.8-67.5000112.4Q15 M17 Q23Q15-N19 WeakPolarHBondContact O-CB 3.44Å; Q15-N19 PolarHBondContact O-N 3.25Å; Q15-N19 VanDerWaalsContact O-N 3.12Å; Q15-N19 PolarHBondContact O-ND2 3.18Å; M17-N19 VanDerWaalsContact C-N 3.29Å; M17-N19 PolarHBondContact O-N 2.93Å; N19-Q23 WeakPolarHBondContact O-CG 3.4Å
20L81.1Confident75.3Confident81 Ų8182 Ų8242%0.42441%0.412SS..Hα-helixtrans-67.4-42.5171.7-74.2168.1000111.2T16 M17 K22 Q23 L24T16-L20 VanDerWaalsContact O-CG 3.31Å; T16-L20 WeakPolarHBondContact O-CG 3.43Å; T16-L20 PolarHBondContact O-N 3.45Å; M17-L20 PolarHBondContact O-N 3.05Å; M17-L20 VanDerWaalsContact O-N 3.16Å; M17-L20 HydrophobicContact SD-CD1 4.48Å; L20-K22 VanDerWaalsContact C-N 3.34Å; L20-K22 PolarHBondContact O-N 2.65Å; L20-Q23 WeakPolarHBondContact O-CB 3.26Å; L20-Q23 PolarHBondContact O-N 2.94Å; L20-L24 WeakPolarHBondContact O-CG 3.33Å; L20-L24 PolarHBondContact O-N 3.07Å
21E82.9Confident77.5Confident69 Ų6981.7 Ų81.732%0.32241%0.412SS..Hα-helixtrans-56.2-47177.5-175.9166.3-130.900112M17 Q23 L24 I25 M32 Y108M17-E21 PolarHBondContact O-N 2.9Å; E21-Q23 PolarHBondContact O-N 3.36Å; E21-L24 PolarHBondContact O-N 3.04Å; E21-I25 PolarHBondContact O-N 2.67Å; E21-M32 HydrophobicContact CG-CE 4.13Å; E21-M32 WeakPolarHBondContact OE1-CE 3.38Å; E21-Y108 HydrophobicContact CB-CE2 4.22Å; E21-Y108 VanDerWaalsContact CD-OH 3.27Å; E21-Y108 PolarHBondContact OE1-OH 3.43Å
22K81.9Confident79Confident143 Ų14381.6 Ų81.662%0.62241%0.407SS*.Hα-helixtrans-58-29.8176.9-70.5166.3-171.1170.80113.5D18 L20 L24D18-K22 WeakPolarHBondContact O-CD 3.26Å; D18-K22 WeakPolarHBondContact O-CG 3.37Å; D18-K22 PolarHBondContact O-N 3.07Å; L20-K22 VanDerWaalsContact C-N 3.34Å; L20-K22 PolarHBondContact O-N 2.65Å; K22-L24 VanDerWaalsContact C-N 3.32Å
23Q82.4Confident80.6Confident143 Ų14375.9 Ų75.967%0.66838%0.382SS*.Hα-helixtrans-80.2-12.7176.9-66176.514.800113.4N19 L20 E21N19-Q23 WeakPolarHBondContact O-CG 3.4Å; L20-Q23 WeakPolarHBondContact O-CB 3.26Å; L20-Q23 PolarHBondContact O-N 2.94Å; E21-Q23 PolarHBondContact O-N 3.36Å
24L87.7Confident81.9Confident13 Ų1374.5 Ų74.57%0.06838%0.381CS..THydrogen-bonded Turntrans-1032.9-178.8-59.8176000113.5L20 E21 K22 M32 F33 V101 I104 I105 Y108L20-L24 WeakPolarHBondContact O-CG 3.33Å; L20-L24 PolarHBondContact O-N 3.07Å; E21-L24 PolarHBondContact O-N 3.04Å; K22-L24 VanDerWaalsContact C-N 3.32Å; L24-M32 CarbonylContact O-C 3.53Å; L24-M32 VanDerWaalsContact O-CA 3.3Å; L24-M32 WeakPolarHBondContact O-CA 3.49Å; L24-F33 VanDerWaalsContact C-CD2 3.49Å; L24-F33 WeakPolarHBondContact O-CD2 3.43Å; L24-F33 PolarHBondContact O-N 3.34Å; L24-V101 HydrophobicContact CD2-CG1 4.37Å; L24-I104 HydrophobicContact CD1-CG2 3.9Å; L24-I104 HydrophobicContact CD2-CB 4.44Å; L24-I104 HydrophobicContact CD2-CG2 3.86Å; L24-I104 HydrophobicContact CG-CG2 4.49Å; L24-I105 HydrophobicContact CB-CD1 4.28Å; L24-I105 HydrophobicContact CB-CG1 3.98Å; L24-I105 HydrophobicContact CD1-CG1 3.96Å; L24-I105 HydrophobicContact CD2-CG1 3.97Å; L24-I105 HydrophobicContact CG-CG1 4.17Å; L24-Y108 HydrophobicContact CD1-CG 4.5Å
25I89.1Confident83.2Confident59 Ų5975.4 Ų75.430%0.30338%0.383SS..BIsolated β-bridgetrans-88.6138178.9-69.8170.2000111.5E21 L30 F33E21-I25 PolarHBondContact O-N 2.67Å; I25-L30 WeakPolarHBondContact CG2-O 3.17Å; I25-F33 WeakPolarHBondContact O-CE2 3.5Å; I25-F33 VanDerWaalsContact O-CZ 3.28Å; I25-F33 WeakPolarHBondContact O-CZ 3.38Å
26C90.4Very high84.3Confident0 Ų070.3 Ų70.30%036%0.36CS..  trans-81.2126.2175.9-176.40000111.5I28 L30 E31 F33 C47C26-I28 PolarHBondContact O-N 3.5Å; C26-L30 WeakPolarHBondContact O-CA 3.37Å; C26-L30 PolarHBondContact O-N 2.89Å; C26-E31 PolarHBondContact N-O 3.08Å; C26-F33 VanDerWaalsContact CA-CE1 3.45Å; C26-F33 HydrophobicContact CB-CD1 3.59Å; C26-F33 HydrophobicContact CB-CE1 3.65Å; C26-F33 HydrophobicContact CB-CG 4.36Å; C26-F33 HydrophobicContact CB-CZ 4.46Å; C26-C47 VanDerWaalsContact CB-SG 3.52Å; C26-C47 PolarHBondContact SG-N 2.89Å; C26-C47 VanDerWaalsContact SG-N 3.39Å; C26-C47 VanDerWaalsContact SG-SG 3.61Å
27P87.5Confident85.2Confident64 Ų6466.8 Ų66.842%0.41634%0.338SS..THydrogen-bonded Turntrans-73.923.1-174.932.5-38.7000114.7L46P27-L46 HydrophobicContact CG-CD2 4.01Å
28I87.9Confident86Confident75 Ų7565.2 Ų65.239%0.38533%0.331SS..THydrogen-bonded Turntrans-133.6-47.7-177.3-56.7-66.9000111.9C26 L46 C50 I54 P79C26-I28 PolarHBondContact O-N 3.5Å; I28-L46 HydrophobicContact CG1-CD2 3.79Å; I28-C50 HydrophobicContact CB-CB 3.87Å; I28-C50 HydrophobicContact CG1-CB 4.33Å; I28-C50 HydrophobicContact CG2-CB 3.72Å; I28-I54 HydrophobicContact CD1-CD1 4.05Å; I28-I54 HydrophobicContact CG1-CD1 4.09Å; I28-P79 HydrophobicContact CD1-CB 3.68Å; I28-P79 HydrophobicContact CD1-CG 3.67Å; I28-P79 HydrophobicContact CG1-CG 4.33Å
29C88.6Confident86.5Confident45 Ų4562.7 Ų62.730%0.30432%0.318SS..THydrogen-bonded Turntrans-95.8-8.8172.759.20000113.6E31C29-E31 PolarHBondContact O-N 3.14Å
30L87.8Confident86.4Confident133 Ų13363.1 Ų63.170%0.69632%0.32SS*.  trans59.19.8-177-50.7-179.9000114.9I25 C26I25-L30 WeakPolarHBondContact CG2-O 3.17Å; C26-L30 WeakPolarHBondContact O-CA 3.37Å; C26-L30 PolarHBondContact O-N 2.89Å
31E89.5Confident86.3Confident122 Ų12262.7 Ų62.757%0.5732%0.322SS*.SBendtrans-93162.7169.9-60.2172.5159.500111.3C26 C29C26-E31 PolarHBondContact N-O 3.08Å; C29-E31 PolarHBondContact O-N 3.14Å
32M88.1Confident86.6Confident47 Ų4760.6 Ų60.623%0.23232%0.315CS..BIsolated β-bridgetrans-54.5141.1168.6-65.9176.4-178.300112E21 L24 T34 Y108E21-M32 HydrophobicContact CG-CE 4.13Å; E21-M32 WeakPolarHBondContact OE1-CE 3.38Å; L24-M32 CarbonylContact O-C 3.53Å; L24-M32 VanDerWaalsContact O-CA 3.3Å; L24-M32 WeakPolarHBondContact O-CA 3.49Å; M32-T34 PolarHBondContact O-N 3.35Å; M32-Y108 HydrophobicContact CE-CD1 4.03Å; M32-Y108 HydrophobicContact CE-CE1 3.59Å
33F88.4Confident86.8Confident20 Ų2061.1 Ų61.19%0.08832%0.319CS..  trans-55.5111-174.3-70.4-74.2000113.5L24 I25 C26 P36 N45 V101 I105L24-F33 VanDerWaalsContact C-CD2 3.49Å; L24-F33 WeakPolarHBondContact O-CD2 3.43Å; L24-F33 PolarHBondContact O-N 3.34Å; I25-F33 WeakPolarHBondContact O-CE2 3.5Å; I25-F33 VanDerWaalsContact O-CZ 3.28Å; I25-F33 WeakPolarHBondContact O-CZ 3.38Å; C26-F33 VanDerWaalsContact CA-CE1 3.45Å; C26-F33 HydrophobicContact CB-CD1 3.59Å; C26-F33 HydrophobicContact CB-CE1 3.65Å; C26-F33 HydrophobicContact CB-CG 4.36Å; C26-F33 HydrophobicContact CB-CZ 4.46Å; F33-P36 HydrophobicContact CB-CB 3.97Å; F33-P36 HydrophobicContact CB-CG 4.26Å; F33-P36 HydrophobicContact CD1-CB 4.39Å; F33-P36 HydrophobicContact CG-CB 4.27Å; F33-N45 HydrophobicContact CE1-CB 3.94Å; F33-N45 VanDerWaalsContact CE1-O 3.28Å; F33-N45 WeakPolarHBondContact CE1-O 3.5Å; F33-N45 HydrophobicContact CE2-CB 4.45Å; F33-N45 HydrophobicContact CZ-CB 3.92Å; F33-V101 HydrophobicContact CB-CG1 4.27Å; F33-V101 HydrophobicContact CD2-CG1 3.79Å; F33-V101 HydrophobicContact CG-CG1 4.3Å; F33-I105 HydrophobicContact CB-CD1 3.65Å; F33-I105 HydrophobicContact CD2-CD1 4.44Å; F33-I105 WeakPolarHBondContact O-CD1 3.47Å
34T87.2Confident87.2Confident77 Ų7757.7 Ų57.747%0.47230%0.303SS..SBendtrans-93.6109.2172.6-66.40000110.1M32 C47M32-T34 PolarHBondContact O-N 3.35Å; T34-C47 PolarHBondContact N-SG 3.05Å
35K86.9Confident87.3Confident116 Ų11658.7 Ų58.750%0.50431%0.308SS..SBendtrans53.664.9-175.8-69.6164-177.5171.20111.1R48 E102K35-R48 WeakPolarHBondContact O-CB 3.26Å; K35-R48 PolarHBondContact O-N 3.22Å; K35-E102 WeakPolarHBondContact CA-OE1 3.39Å; K35-E102 VanDerWaalsContact CG-OE1 3.24Å; K35-E102 WeakPolarHBondContact CG-OE1 3.35Å
36P89.1Confident87.4Confident0 Ų055.9 Ų55.90%029%0.294CS..EExtended strand (participates in β ladder)trans-57.6139.8-177.823.2-33.4000111.9F33 L46 R97 N98 V101 E102F33-P36 HydrophobicContact CB-CB 3.97Å; F33-P36 HydrophobicContact CB-CG 4.26Å; F33-P36 HydrophobicContact CD1-CB 4.39Å; F33-P36 HydrophobicContact CG-CB 4.27Å; P36-L46 CarbonylContact C-O 3.59Å; P36-L46 WeakPolarHBondContact CA-O 3.25Å; P36-R97 CarbonylContact O-C 3.59Å; P36-R97 VanDerWaalsContact O-CA 3.25Å; P36-R97 WeakPolarHBondContact O-CA 3.29Å; P36-N98 HydrophobicContact CB-CB 4.16Å; P36-N98 HydrophobicContact CG-CB 4.2Å; P36-N98 WeakPolarHBondContact CG-O 3.23Å; P36-N98 PolarHBondContact O-N 3.44Å; P36-V101 HydrophobicContact CB-CB 4.41Å; P36-V101 HydrophobicContact CB-CG1 4.24Å; P36-V101 HydrophobicContact CG-CB 3.97Å; P36-V101 HydrophobicContact CG-CG1 3.97Å; P36-E102 HydrophobicContact CG-CB 4.17Å
37V89.7Confident87.5Confident0 Ų056 Ų560%030%0.295CS..EExtended strand (participates in β ladder)trans-120.9139.7171.1-69.60000111N45 L46 R48 A51 L95 Q96 R97V37-N45 WeakPolarHBondContact O-CA 3.43Å; V37-L46 WeakPolarHBondContact CG2-O 3.46Å; V37-L46 PolarHBondContact N-O 3.33Å; V37-L46 PolarHBondContact O-N 2.91Å; V37-L46 VanDerWaalsContact O-N 3.11Å; V37-R48 HydrophobicContact CG1-CB 3.99Å; V37-R48 HydrophobicContact CG1-CG 4.01Å; V37-A51 HydrophobicContact CG2-CB 3.99Å; V37-L95 HydrophobicContact CB-CB 3.92Å; V37-L95 HydrophobicContact CG1-CB 4.32Å; V37-L95 HydrophobicContact CG2-CB 4.33Å; V37-L95 HydrophobicContact CG2-CD1 4.09Å; V37-Q96 CarbonylContact C-O 3.55Å; V37-Q96 VanDerWaalsContact CA-O 3.23Å; V37-Q96 WeakPolarHBondContact CA-O 3.35Å; V37-R97 HydrophobicContact CG1-CG 4.33Å
38V87.8Confident87.6Confident22 Ų2255.4 Ų55.413%0.13328%0.284CS..EExtended strand (participates in β ladder)trans-88.9129.9-179.7-171.10000110.2L40 Q96 N98V38-L40 PolarHBondContact O-N 3.37Å; V38-Q96 PolarHBondContact N-O 3.26Å; V38-N98 HydrophobicContact CG2-CB 3.64Å
39I84.6Confident87.6Confident0 Ų059.2 Ų59.20%030%0.298CS..  trans-85.294.2169.1-61.7175.1000108.3P41 C42 Q43 H44 L46 F76 C78 V85I39-P41 VanDerWaalsContact C-CD 3.44Å; I39-P41 HydrophobicContact CG2-CG 4.09Å; I39-C42 WeakPolarHBondContact CG2-SG 3.47Å; I39-C42 CarbonylContact O-C 3.53Å; I39-C42 PolarHBondContact O-N 3.18Å; I39-Q43 WeakPolarHBondContact O-CA 3.39Å; I39-Q43 PolarHBondContact O-N 2.95Å; I39-H44 PolarHBondContact N-O 2.72Å; I39-L46 HydrophobicContact CD1-CD1 3.87Å; I39-L46 HydrophobicContact CD1-CG 4.23Å; I39-F76 HydrophobicContact CD1-CE2 4.02Å; I39-F76 HydrophobicContact CD1-CZ 4.05Å; I39-F76 HydrophobicContact CG1-CZ 4.26Å; I39-C78 HydrophobicContact CD1-CB 4.05Å; I39-V85 HydrophobicContact CG2-CB 4.33Å; I39-V85 HydrophobicContact CG2-CG1 3.99Å; I39-V85 HydrophobicContact CG2-CG2 3.34Å
40L76.2Confident87.7Confident97 Ų9757.5 Ų57.551%0.50829%0.286SS..THydrogen-bonded Turntrans-51.6-36.4-169.4-77.1163.3000117.5V38 C42 Q96V38-L40 PolarHBondContact O-N 3.37Å; L40-C42 VanDerWaalsContact C-N 3.29Å; L40-C42 PolarHBondContact O-N 2.65Å; L40-Q96 HydrophobicContact CD1-CG 4.26Å
41P79.6Confident87.7Confident71 Ų7151.1 Ų51.146%0.46125%0.253SS..THydrogen-bonded Turntrans-74-13.5177.329.4-37000114.6I39 V85I39-P41 VanDerWaalsContact C-CD 3.44Å; I39-P41 HydrophobicContact CG2-CG 4.09Å; P41-V85 HydrophobicContact CG-CG1 4.37Å; P41-V85 HydrophobicContact CG-CG2 4.33Å
42C87.3Confident87.5Confident26 Ų2646.1 Ų46.118%0.17623%0.232CC..THydrogen-bonded Turntrans-136.84.5-178.672.70000114.9I39 L40 H44 C81 H83I39-C42 WeakPolarHBondContact CG2-SG 3.47Å; I39-C42 CarbonylContact O-C 3.53Å; I39-C42 PolarHBondContact O-N 3.18Å; L40-C42 VanDerWaalsContact C-N 3.29Å; L40-C42 PolarHBondContact O-N 2.65Å; C42-H44 PolarHBondContact O-N 3.14Å; C42-H44 PolarHBondContact O-ND1 2.77Å; C42-C81 VanDerWaalsContact CB-SG 3.57Å; C42-H83 HydrophobicContact CB-CB 4.16Å
43Q87.3Confident87.4Confident153 Ų15348 Ų4872%0.71524%0.243SC*.  trans56.87176.3-53.8-174.619.300117.2I39I39-Q43 WeakPolarHBondContact O-CA 3.39Å; I39-Q43 PolarHBondContact O-N 2.95Å
44H90.2Very high87.2Confident71 Ų7148.8 Ų48.833%0.32925%0.247SC..  trans-72.1149.5177.6-73.976.3000112I39 C42 S80I39-H44 PolarHBondContact N-O 2.72Å; C42-H44 PolarHBondContact O-N 3.14Å; C42-H44 PolarHBondContact O-ND1 2.77Å; H44-S80 WeakPolarHBondContact CD2-CB 3.46Å
45N90.4Very high87Confident34 Ų3447.3 Ų47.318%0.18223%0.234CC..EExtended strand (participates in β ladder)trans-105.3141.2-178.2-63.9-80.4000111.1F33 V37 N98F33-N45 HydrophobicContact CE1-CB 3.94Å; F33-N45 VanDerWaalsContact CE1-O 3.28Å; F33-N45 WeakPolarHBondContact CE1-O 3.5Å; F33-N45 HydrophobicContact CE2-CB 4.45Å; F33-N45 HydrophobicContact CZ-CB 3.92Å; V37-N45 WeakPolarHBondContact O-CA 3.43Å; N45-N98 WeakPolarHBondContact OD1-CB 3.42Å; N45-N98 PolarHBondContact OD1-ND2 3.36Å
46L90.7Very high86.8Confident0 Ų047 Ų470%024%0.235CC..EExtended strand (participates in β ladder)trans-137.3154.6170.6-68.3-179.3000110.3P27 I28 P36 V37 I39 A51 I54 P79P27-L46 HydrophobicContact CG-CD2 4.01Å; I28-L46 HydrophobicContact CG1-CD2 3.79Å; P36-L46 CarbonylContact C-O 3.59Å; P36-L46 WeakPolarHBondContact CA-O 3.25Å; V37-L46 WeakPolarHBondContact CG2-O 3.46Å; V37-L46 PolarHBondContact N-O 3.33Å; V37-L46 PolarHBondContact O-N 2.91Å; V37-L46 VanDerWaalsContact O-N 3.11Å; I39-L46 HydrophobicContact CD1-CD1 3.87Å; I39-L46 HydrophobicContact CD1-CG 4.23Å; L46-A51 HydrophobicContact CB-CB 4.3Å; L46-A51 HydrophobicContact CD1-CB 4.21Å; L46-I54 HydrophobicContact CD1-CD1 3.91Å; L46-P79 HydrophobicContact CD1-CG 4.25Å
47C92.6Very high86.2Confident4 Ų450.6 Ų50.63%0.02727%0.265CS..EExtended strand (participates in β ladder)trans-59.3138163.4-68.80000110.4C26 T34 K49 C50 A51C26-C47 VanDerWaalsContact CB-SG 3.52Å; C26-C47 PolarHBondContact SG-N 2.89Å; C26-C47 VanDerWaalsContact SG-N 3.39Å; C26-C47 VanDerWaalsContact SG-SG 3.61Å; T34-C47 PolarHBondContact N-SG 3.05Å; C47-K49 PolarHBondContact O-N 3.25Å; C47-K49 VanDerWaalsContact O-N 3.11Å; C47-C50 HydrophobicContact CB-CB 4.23Å; C47-C50 PolarHBondContact O-N 2.76Å; C47-C50 VanDerWaalsContact O-N 3.11Å; C47-A51 PolarHBondContact O-N 3.21Å
48R89.4Confident85.5Confident50 Ų5053.1 Ų53.119%0.18928%0.282CS..Hα-helixtrans-59.7-24.7-179.8-168.3174.2-178.9107.5-6114.1K35 V37 S52 Y93 L95K35-R48 WeakPolarHBondContact O-CB 3.26Å; K35-R48 PolarHBondContact O-N 3.22Å; V37-R48 HydrophobicContact CG1-CB 3.99Å; V37-R48 HydrophobicContact CG1-CG 4.01Å; R48-S52 PolarHBondContact O-N 3.2Å; R48-Y93 PolarHBondContact NH2-O 3.14Å; R48-L95 PolarHBondContact NH1-O 2.97Å
49K88.9Confident84.6Confident156 Ų15653.3 Ų53.368%0.67828%0.283SS*.Hα-helixtrans-65.9-65168.5-68.5-177.5-179.51770110.2C47 A51 S52 D53C47-K49 PolarHBondContact O-N 3.25Å; C47-K49 VanDerWaalsContact O-N 3.11Å; K49-A51 PolarHBondContact O-N 3.4Å; K49-A51 VanDerWaalsContact O-N 3.07Å; K49-S52 CarbonylContact O-C 3.59Å; K49-S52 VanDerWaalsContact O-CA 3.29Å; K49-S52 WeakPolarHBondContact O-CA 3.43Å; K49-S52 WeakPolarHBondContact O-CB 3.42Å; K49-S52 PolarHBondContact O-N 2.85Å; K49-D53 PolarHBondContact O-N 3.01Å
50C90.4Very high83.5Confident8 Ų858.1 Ų58.15%0.05431%0.314CS..Hα-helixtrans-48.9-42.8-179.1-57.10000113.4I28 C47 S52 D53 I54I28-C50 HydrophobicContact CB-CB 3.87Å; I28-C50 HydrophobicContact CG1-CB 4.33Å; I28-C50 HydrophobicContact CG2-CB 3.72Å; C47-C50 HydrophobicContact CB-CB 4.23Å; C47-C50 PolarHBondContact O-N 2.76Å; C47-C50 VanDerWaalsContact O-N 3.11Å; C50-S52 VanDerWaalsContact C-N 3.32Å; C50-S52 PolarHBondContact O-N 3.33Å; C50-D53 WeakPolarHBondContact CA-OD2 3.15Å; C50-D53 PolarHBondContact N-OD2 3.18Å; C50-D53 PolarHBondContact O-N 3.22Å; C50-I54 WeakPolarHBondContact O-CB 3.36Å; C50-I54 VanDerWaalsContact O-CD1 3.28Å; C50-I54 WeakPolarHBondContact O-CD1 3.32Å; C50-I54 WeakPolarHBondContact O-CG1 3.35Å; C50-I54 PolarHBondContact O-N 3.36Å
51A87.4Confident82.6Confident0 Ų064 Ų640%033%0.33CS..Hα-helixtrans-62-36175.500000113.4V37 L46 C47 K49 F55 V92 L95V37-A51 HydrophobicContact CG2-CB 3.99Å; L46-A51 HydrophobicContact CB-CB 4.3Å; L46-A51 HydrophobicContact CD1-CB 4.21Å; C47-A51 PolarHBondContact O-N 3.21Å; K49-A51 PolarHBondContact O-N 3.4Å; K49-A51 VanDerWaalsContact O-N 3.07Å; A51-F55 VanDerWaalsContact O-CB 3.31Å; A51-F55 WeakPolarHBondContact O-CB 3.48Å; A51-F55 PolarHBondContact O-N 2.99Å; A51-V92 HydrophobicContact CB-CG1 3.78Å; A51-V92 WeakPolarHBondContact O-CG2 3.47Å; A51-L95 HydrophobicContact CB-CD1 4.38Å
52S86Confident81.6Confident17 Ų1765.9 Ų65.912%0.11934%0.336CS..Hα-helixtrans-70.2-41.7173.5168.40000111.5R48 K49 C50 F55 Q56R48-S52 PolarHBondContact O-N 3.2Å; K49-S52 CarbonylContact O-C 3.59Å; K49-S52 VanDerWaalsContact O-CA 3.29Å; K49-S52 WeakPolarHBondContact O-CA 3.43Å; K49-S52 WeakPolarHBondContact O-CB 3.42Å; K49-S52 PolarHBondContact O-N 2.85Å; C50-S52 VanDerWaalsContact C-N 3.32Å; C50-S52 PolarHBondContact O-N 3.33Å; S52-F55 PolarHBondContact O-N 3.19Å; S52-Q56 VanDerWaalsContact O-CG 3.31Å; S52-Q56 WeakPolarHBondContact O-CG 3.46Å; S52-Q56 PolarHBondContact O-N 2.99Å; S52-Q56 PolarHBondContact OG-NE2 2.81Å
53D86.2Confident79.9Confident87 Ų8770 Ų7047%0.46536%0.363SS..Hα-helixtrans-68.1-43.4-176.4-48.7-35.6000110.6K49 C50 F55 Q56 A57K49-D53 PolarHBondContact O-N 3.01Å; C50-D53 WeakPolarHBondContact CA-OD2 3.15Å; C50-D53 PolarHBondContact N-OD2 3.18Å; C50-D53 PolarHBondContact O-N 3.22Å; D53-F55 PolarHBondContact O-N 2.61Å; D53-Q56 PolarHBondContact O-N 3.48Å; D53-A57 WeakPolarHBondContact O-CB 3.38Å; D53-A57 PolarHBondContact O-N 2.9Å
54I84.4Confident78.4Confident35 Ų3569.5 Ų69.518%0.17937%0.37CS..Hα-helixtrans-59.6-45.3172-66.4157.4000111.2I28 L46 C50 Q56 A57 S58 F76 P79I28-I54 HydrophobicContact CD1-CD1 4.05Å; I28-I54 HydrophobicContact CG1-CD1 4.09Å; L46-I54 HydrophobicContact CD1-CD1 3.91Å; C50-I54 WeakPolarHBondContact O-CB 3.36Å; C50-I54 VanDerWaalsContact O-CD1 3.28Å; C50-I54 WeakPolarHBondContact O-CD1 3.32Å; C50-I54 WeakPolarHBondContact O-CG1 3.35Å; C50-I54 PolarHBondContact O-N 3.36Å; I54-Q56 VanDerWaalsContact C-N 3.34Å; I54-Q56 PolarHBondContact O-N 3.48Å; I54-A57 PolarHBondContact O-N 3.2Å; I54-S58 WeakPolarHBondContact O-CB 3.26Å; I54-S58 PolarHBondContact O-N 3.24Å; I54-S58 PolarHBondContact O-OG 2.92Å; I54-F76 HydrophobicContact CG2-CB 4.36Å; I54-F76 HydrophobicContact CG2-CD2 3.8Å; I54-F76 HydrophobicContact CG2-CG 4.48Å; I54-P79 HydrophobicContact CD1-CG 3.49Å; I54-P79 VanDerWaalsContact CD1-CG 3.49Å
55F82.9Confident76.3Confident46 Ų4677.1 Ų77.120%0.20240%0.396CS..Hα-helixtrans-65-36.2-178.7174.2-99.2000113.1A51 S52 D53 S58 N59 F76 L87 V92A51-F55 VanDerWaalsContact O-CB 3.31Å; A51-F55 WeakPolarHBondContact O-CB 3.48Å; A51-F55 PolarHBondContact O-N 2.99Å; S52-F55 PolarHBondContact O-N 3.19Å; D53-F55 PolarHBondContact O-N 2.61Å; F55-S58 PolarHBondContact O-OG 2.84Å; F55-N59 PolarHBondContact O-N 3.37Å; F55-N59 PolarHBondContact O-ND2 2.91Å; F55-F76 HydrophobicContact CD2-CD1 4.36Å; F55-L87 HydrophobicContact CD2-CD1 3.41Å; F55-L87 VanDerWaalsContact CD2-CD1 3.41Å; F55-L87 HydrophobicContact CE2-CD1 3.52Å; F55-L87 HydrophobicContact CG-CD1 4.24Å; F55-L87 HydrophobicContact CZ-CD1 4.44Å; F55-V92 HydrophobicContact CB-CG2 3.47Å; F55-V92 VanDerWaalsContact CB-CG2 3.47Å; F55-V92 HydrophobicContact CD1-CG2 4.06Å; F55-V92 HydrophobicContact CD2-CG2 4.15Å; F55-V92 HydrophobicContact CG-CG2 3.64Å
56Q81Confident74.3Confident110 Ų11079.9 Ų79.951%0.51443%0.432SS..Hα-helixtrans-69.5-47.1174-71.2174.343.400110.8S52 D53 I54 S58 N59S52-Q56 VanDerWaalsContact O-CG 3.31Å; S52-Q56 WeakPolarHBondContact O-CG 3.46Å; S52-Q56 PolarHBondContact O-N 2.99Å; S52-Q56 PolarHBondContact OG-NE2 2.81Å; D53-Q56 PolarHBondContact O-N 3.48Å; I54-Q56 VanDerWaalsContact C-N 3.34Å; I54-Q56 PolarHBondContact O-N 3.48Å; Q56-S58 VanDerWaalsContact C-N 3.29Å; Q56-S58 PolarHBondContact O-N 2.69Å; Q56-N59 CarbonylContact O-C 3.52Å; Q56-N59 PolarHBondContact O-N 2.92Å; Q56-N59 VanDerWaalsContact O-N 3.11Å
57A78Confident71.8Confident76 Ų7683 Ų8363%0.62847%0.465SS*.Hα-helixtrans-59.6-37.1176.300000112.8D53 I54 N59D53-A57 WeakPolarHBondContact O-CB 3.38Å; D53-A57 PolarHBondContact O-N 2.9Å; I54-A57 PolarHBondContact O-N 3.2Å; A57-N59 VanDerWaalsContact C-N 3.31Å; A57-N59 PolarHBondContact O-N 3.03Å
58S73.6Confident69.6Low53 Ų5390.1 Ų90.137%0.37151%0.508SS..THydrogen-bonded Turntrans-79.7-6178.271.60000114.7I54 F55 Q56 R75 F76I54-S58 WeakPolarHBondContact O-CB 3.26Å; I54-S58 PolarHBondContact O-N 3.24Å; I54-S58 PolarHBondContact O-OG 2.92Å; F55-S58 PolarHBondContact O-OG 2.84Å; Q56-S58 VanDerWaalsContact C-N 3.29Å; Q56-S58 PolarHBondContact O-N 2.69Å; S58-R75 PolarHBondContact OG-O 3.47Å; S58-F76 WeakPolarHBondContact OG-CB 3.38Å
59N69.2Low67.2Low26 Ų2694 Ų9414%0.13954%0.537CS..  trans-138.861.3-179.6-61.4-88.1000113.2F55 Q56 A57 Y61 L62 R75F55-N59 PolarHBondContact O-N 3.37Å; F55-N59 PolarHBondContact O-ND2 2.91Å; Q56-N59 CarbonylContact O-C 3.52Å; Q56-N59 PolarHBondContact O-N 2.92Å; Q56-N59 VanDerWaalsContact O-N 3.11Å; A57-N59 VanDerWaalsContact C-N 3.31Å; A57-N59 PolarHBondContact O-N 3.03Å; N59-Y61 PolarHBondContact O-N 2.89Å; N59-L62 HydrophobicContact CB-CD1 4.31Å; N59-L62 PolarHBondContact O-N 3.04Å; N59-R75 PolarHBondContact ND2-O 2.76Å
60P61.3Low65.5Low100 Ų10096.2 Ų96.265%0.64955%0.553SS**THydrogen-bonded Turntrans-62.9-20-170.1-23.935.5000116.1
61Y57.4Low63.3Low220 Ų22099.9 Ų99.986%0.86358%0.584SS**THydrogen-bonded Turntrans-95.76.3-172.3-60.6-75.6000114.6N59 P63N59-Y61 PolarHBondContact O-N 2.89Å; Y61-P63 VanDerWaalsContact O-CD 3.26Å; Y61-P63 WeakPolarHBondContact O-CD 3.34Å
62L59.2Low61.7Low112 Ų112105.2 Ų105.259%0.58662%0.621SS**  trans-103.696.8178.1-83.3168.5000111.1N59 T64N59-L62 HydrophobicContact CB-CD1 4.31Å; N59-L62 PolarHBondContact O-N 3.04Å; L62-T64 PolarHBondContact O-N 3.49Å
63P52.2Low60.4Low112 Ų112106.1 Ų106.173%0.72763%0.633SS**  trans-70.5125.6-178.928.1-34.5000111.8Y61 R65Y61-P63 VanDerWaalsContact O-CD 3.26Å; Y61-P63 WeakPolarHBondContact O-CD 3.34Å; P63-R65 PolarHBondContact O-N 3.45Å
64T54.5Low59.7Low142 Ų142102.5 Ų102.587%0.87162%0.616SS**  trans-75.951.8-179.6-45.70000112.7L62L62-T64 PolarHBondContact O-N 3.49Å
65R45.8Very low59.5Low232 Ų232108 Ų10888%0.87564%0.635SS**SBendtrans-131.2120.5175.4-154171.5-165.9169.84.7110.1P63 G67P63-R65 PolarHBondContact O-N 3.45Å; R65-G67 PolarHBondContact O-N 3.19Å
66G50.3Low59.6Low91 Ų91106.1 Ų106.194%0.93863%0.626SS**  trans-58.4125.4-164.200000114.8
67G37.5Very low59.9Low67 Ų67107.2 Ų107.269%0.69163%0.626SS**  trans-150.3144.7170.800000109.7R65 T69R65-G67 PolarHBondContact O-N 3.19Å; G67-T69 PolarHBondContact O-N 3.28Å
68T45.5Very low60.4Low152 Ų152103.6 Ų103.693%0.93360%0.596SS**  trans-85.491.7-172.946.70000112.4
69T39.6Very low61Low131 Ų131103.5 Ų103.580%0.80459%0.594SS**  trans-135127.9165.550.10000110.4G67 A71G67-T69 PolarHBondContact O-N 3.28Å; T69-A71 PolarHBondContact O-N 2.95Å
70M52.3Low61.8Low204 Ų204104.8 Ų104.8100%1.00561%0.605SS**  trans-85.3104.3173.3-74.3-168.9175.400110.7
71A45.7Very low63.1Low85 Ų85102.6 Ų102.670%0.70259%0.592SS**  trans-158.2145.3160.100000110.8T69T69-A71 PolarHBondContact O-N 2.95Å
72S52.6Low64.5Low112 Ų112102 Ų10278%0.78359%0.588SS**  trans46101.4156.9-50.70000118.3G74S72-G74 PolarHBondContact O-N 2.99Å
73G60Low65.8Low36 Ų36101.1 Ų101.137%0.37158%0.581SS.*  trans-57132.4156.900000110.9L87G73-L87 CarbonylContact C-O 3.6Å; G73-L87 WeakPolarHBondContact CA-O 3.29Å
74G71.1Confident67.3Low10 Ų1099.4 Ų99.410%0.10356%0.563CS.*  trans-69.5150.3-173.300000112.6S72 L87S72-G74 PolarHBondContact O-N 2.99Å; G74-L87 WeakPolarHBondContact O-CB 3.42Å; G74-L87 PolarHBondContact O-N 3.12Å
75R80.3Confident68.6Low152 Ų15292.8 Ų92.857%0.57452%0.522SS*.EExtended strand (participates in β ladder)trans-108.7148179.365.5-173.4-179.3-78.3-2111.7S58 N59 E84 V85S58-R75 PolarHBondContact OG-O 3.47Å; N59-R75 PolarHBondContact ND2-O 2.76Å; R75-E84 WeakPolarHBondContact CD-OE1 3.48Å; R75-V85 WeakPolarHBondContact CA-O 3.38Å
76F84.8Confident70.3Confident5 Ų587 Ų872%0.02251%0.512CS..EExtended strand (participates in β ladder)trans-145.1165.116677.3-76000110.5I39 I54 F55 S58 V85 L87 L95I39-F76 HydrophobicContact CD1-CE2 4.02Å; I39-F76 HydrophobicContact CD1-CZ 4.05Å; I39-F76 HydrophobicContact CG1-CZ 4.26Å; I54-F76 HydrophobicContact CG2-CB 4.36Å; I54-F76 HydrophobicContact CG2-CD2 3.8Å; I54-F76 HydrophobicContact CG2-CG 4.48Å; F55-F76 HydrophobicContact CD2-CD1 4.36Å; S58-F76 WeakPolarHBondContact OG-CB 3.38Å; F76-V85 HydrophobicContact CD1-CB 3.79Å; F76-V85 HydrophobicContact CD1-CG1 4.19Å; F76-V85 HydrophobicContact CE1-CB 3.49Å; F76-V85 VanDerWaalsContact CE1-CB 3.49Å; F76-V85 HydrophobicContact CE1-CG1 3.47Å; F76-V85 VanDerWaalsContact CE1-CG1 3.47Å; F76-V85 HydrophobicContact CE1-CG2 4.09Å; F76-V85 HydrophobicContact CE2-CG2 4.32Å; F76-V85 HydrophobicContact CG-CB 4.44Å; F76-V85 HydrophobicContact CZ-CB 3.91Å; F76-V85 HydrophobicContact CZ-CG1 3.95Å; F76-V85 HydrophobicContact CZ-CG2 3.98Å; F76-V85 PolarHBondContact N-O 2.97Å; F76-V85 PolarHBondContact O-N 3.25Å; F76-L87 HydrophobicContact CD1-CD1 3.65Å; F76-L87 HydrophobicContact CD1-CG 4.16Å; F76-L87 HydrophobicContact CE1-CD1 3.62Å; F76-L87 HydrophobicContact CE1-CD2 4.12Å; F76-L87 HydrophobicContact CE1-CG 3.91Å; F76-L95 HydrophobicContact CZ-CD1 4.39Å
77R87.6Confident71.7Confident133 Ų13383.1 Ų83.150%0.50247%0.47SS..EExtended strand (participates in β ladder)trans-97.1135.2174.7-62.8-80173.2-159.3-13.2109P79 R82 H83 E84R77-P79 WeakPolarHBondContact O-CD 3.43Å; R77-R82 WeakPolarHBondContact CD-O 3.3Å; R77-H83 WeakPolarHBondContact CA-O 3.29Å; R77-E84 IonicContact CZ-OE1 2.69Å; R77-E84 IonicContact CZ-OE2 2.66Å; R77-E84 IonicContact NH1-OE2 3.28Å; R77-E84 PolarHBondContact NH1-OE2 3.37Å; R77-E84 IonicContact NH2-OE1 3.84Å; R77-E84 PolarHBondContact NH2-OE1 3.36Å; R77-E84 IonicContact NH2-OE2 3.82Å; R77-E84 PolarHBondContact NH2-OE2 3.46Å
78C87.4Confident73.4Confident0 Ų085.8 Ų85.80%047%0.468CS..  trans-62.9124.8169.8177.70000109.7I39 S80 R82 H83 V85I39-C78 HydrophobicContact CD1-CB 4.05Å; C78-S80 VanDerWaalsContact C-N 3.32Å; C78-S80 PolarHBondContact O-N 3.39Å; C78-R82 WeakPolarHBondContact O-CA 3.43Å; C78-R82 PolarHBondContact O-N 3.48Å; C78-H83 PolarHBondContact N-O 3.03Å; C78-V85 HydrophobicContact CB-CG2 4.39Å
79P86.6Confident74.7Confident51 Ų5189 Ų8933%0.33146%0.464SS..THydrogen-bonded Turntrans-61.6-38.5-178.8-24.234.2000113.6I28 L46 I54 R77 C81I28-P79 HydrophobicContact CD1-CB 3.68Å; I28-P79 HydrophobicContact CD1-CG 3.67Å; I28-P79 HydrophobicContact CG1-CG 4.33Å; L46-P79 HydrophobicContact CD1-CG 4.25Å; I54-P79 HydrophobicContact CD1-CG 3.49Å; I54-P79 VanDerWaalsContact CD1-CG 3.49Å; R77-P79 WeakPolarHBondContact O-CD 3.43Å; P79-C81 PolarHBondContact O-N 2.92Å
80S85.8Confident76.4Confident54 Ų5487.6 Ų87.638%0.37845%0.447SS..THydrogen-bonded Turntrans-74.2-25.2-173.1-49.30000114.5H44 C78H44-S80 WeakPolarHBondContact CD2-CB 3.46Å; C78-S80 VanDerWaalsContact C-N 3.32Å; C78-S80 PolarHBondContact O-N 3.39Å
81C88.9Confident77.7Confident54 Ų5478.5 Ų78.537%0.36541%0.406SS..THydrogen-bonded Turntrans-142.26.1-175.166.70000114.8C42 P79 H83C42-C81 VanDerWaalsContact CB-SG 3.57Å; P79-C81 PolarHBondContact O-N 2.92Å; C81-H83 PolarHBondContact O-N 3.07Å
82R87.1Confident79.3Confident206 Ų20674.7 Ų74.778%0.77737%0.374SS*.  trans57.35.5179.2-56-178.6-178.1179.70.6116.3R77 C78R77-R82 WeakPolarHBondContact CD-O 3.3Å; C78-R82 WeakPolarHBondContact O-CA 3.43Å; C78-R82 PolarHBondContact O-N 3.48Å
83H86.9Confident80.6Confident95 Ų9577.4 Ų77.444%0.4437%0.369SS..  trans-59.7147.5177.1-163.787.1000112.2C42 R77 C78 C81C42-H83 HydrophobicContact CB-CB 4.16Å; R77-H83 WeakPolarHBondContact CA-O 3.29Å; C78-H83 PolarHBondContact N-O 3.03Å; C81-H83 PolarHBondContact O-N 3.07Å
84E83.9Confident81.5Confident75 Ų7577.6 Ų77.635%0.3537%0.371SS..EExtended strand (participates in β ladder)trans-81130.2-179.7-158.5140.1-159.100111.7R75 R77R75-E84 WeakPolarHBondContact CD-OE1 3.48Å; R77-E84 IonicContact CZ-OE1 2.69Å; R77-E84 IonicContact CZ-OE2 2.66Å; R77-E84 IonicContact NH1-OE2 3.28Å; R77-E84 PolarHBondContact NH1-OE2 3.37Å; R77-E84 IonicContact NH2-OE1 3.84Å; R77-E84 PolarHBondContact NH2-OE1 3.36Å; R77-E84 IonicContact NH2-OE2 3.82Å; R77-E84 PolarHBondContact NH2-OE2 3.46Å
85V81.8Confident82.2Confident3 Ų377.8 Ų77.82%0.01837%0.369CS..EExtended strand (participates in β ladder)trans-119102.8179.2-166.50000108.1I39 P41 R75 F76 C78 L87I39-V85 HydrophobicContact CG2-CB 4.33Å; I39-V85 HydrophobicContact CG2-CG1 3.99Å; I39-V85 HydrophobicContact CG2-CG2 3.34Å; P41-V85 HydrophobicContact CG-CG1 4.37Å; P41-V85 HydrophobicContact CG-CG2 4.33Å; R75-V85 WeakPolarHBondContact CA-O 3.38Å; F76-V85 HydrophobicContact CD1-CB 3.79Å; F76-V85 HydrophobicContact CD1-CG1 4.19Å; F76-V85 HydrophobicContact CE1-CB 3.49Å; F76-V85 VanDerWaalsContact CE1-CB 3.49Å; F76-V85 HydrophobicContact CE1-CG1 3.47Å; F76-V85 VanDerWaalsContact CE1-CG1 3.47Å; F76-V85 HydrophobicContact CE1-CG2 4.09Å; F76-V85 HydrophobicContact CE2-CG2 4.32Å; F76-V85 HydrophobicContact CG-CB 4.44Å; F76-V85 HydrophobicContact CZ-CB 3.91Å; F76-V85 HydrophobicContact CZ-CG1 3.95Å; F76-V85 HydrophobicContact CZ-CG2 3.98Å; F76-V85 PolarHBondContact N-O 2.97Å; F76-V85 PolarHBondContact O-N 3.25Å; C78-V85 HydrophobicContact CB-CG2 4.39Å; V85-L87 HydrophobicContact CG1-CD2 4.35Å; V85-L87 HydrophobicContact CG1-CG 4.47Å
86V81Confident82.4Confident111 Ų11176.1 Ų76.167%0.67337%0.368SS*.EExtended strand (participates in β ladder)trans-81.8123.9166.3-176.90000107.5
87L78.9Confident82.6Confident10 Ų1082.3 Ų82.35%0.05239%0.391CS..  trans-97.9147.4179.1-70.9163000111.2F55 G73 G74 F76 V85 V92 L95F55-L87 HydrophobicContact CD2-CD1 3.41Å; F55-L87 VanDerWaalsContact CD2-CD1 3.41Å; F55-L87 HydrophobicContact CE2-CD1 3.52Å; F55-L87 HydrophobicContact CG-CD1 4.24Å; F55-L87 HydrophobicContact CZ-CD1 4.44Å; G73-L87 CarbonylContact C-O 3.6Å; G73-L87 WeakPolarHBondContact CA-O 3.29Å; G74-L87 WeakPolarHBondContact O-CB 3.42Å; G74-L87 PolarHBondContact O-N 3.12Å; F76-L87 HydrophobicContact CD1-CD1 3.65Å; F76-L87 HydrophobicContact CD1-CG 4.16Å; F76-L87 HydrophobicContact CE1-CD1 3.62Å; F76-L87 HydrophobicContact CE1-CD2 4.12Å; F76-L87 HydrophobicContact CE1-CG 3.91Å; V85-L87 HydrophobicContact CG1-CD2 4.35Å; V85-L87 HydrophobicContact CG1-CG 4.47Å; L87-V92 HydrophobicContact CD1-CG2 3.74Å; L87-L95 HydrophobicContact CD2-CD1 4.32Å; L87-L95 HydrophobicContact CD2-CD2 3.59Å; L87-L95 HydrophobicContact CD2-CG 3.8Å
88D74.6Confident82.6Confident122 Ų12277.5 Ų77.565%0.65238%0.375SS*.  trans-60.6174.1171.7-86.3-43.5000113.3H90 G91D88-H90 PolarHBondContact O-N 3.27Å; D88-G91 PolarHBondContact O-N 2.84Å
89R72.6Confident82.6Confident221 Ų22182.6 Ų82.683%0.83440%0.402SS*.THydrogen-bonded Turntrans-49.1-13.3167.969.3179.1-174.9-1190.8116.1
90H74.1Confident82.6Confident100 Ų10085.7 Ų85.746%0.46342%0.415SS..THydrogen-bonded Turntrans-96.3-1.4176.6-46.7116.2000112.9D88 Y93D88-H90 PolarHBondContact O-N 3.27Å; H90-Y93 WeakPolarHBondContact O-CB 3.19Å; H90-Y93 PolarHBondContact O-N 3.47Å
91G79.8Confident82.7Confident14 Ų1484 Ų8414%0.14440%0.402CS..G310 helixtrans54.3-147-176.600000112.8D88 Y93 G94D88-G91 PolarHBondContact O-N 2.84Å; G91-Y93 PolarHBondContact O-N 3.47Å; G91-G94 PolarHBondContact O-N 2.95Å
92V79.6Confident82.5Confident4 Ų483.5 Ų83.52%0.02440%0.395CS..G310 helixtrans-56-23.9176.3174.80000112.7A51 F55 L87 G94 L95A51-V92 HydrophobicContact CB-CG1 3.78Å; A51-V92 WeakPolarHBondContact O-CG2 3.47Å; F55-V92 HydrophobicContact CB-CG2 3.47Å; F55-V92 VanDerWaalsContact CB-CG2 3.47Å; F55-V92 HydrophobicContact CD1-CG2 4.06Å; F55-V92 HydrophobicContact CD2-CG2 4.15Å; F55-V92 HydrophobicContact CG-CG2 3.64Å; L87-V92 HydrophobicContact CD1-CG2 3.74Å; V92-G94 PolarHBondContact O-N 3.11Å; V92-L95 HydrophobicContact CG1-CD1 4.29Å; V92-L95 WeakPolarHBondContact O-CB 3.31Å; V92-L95 PolarHBondContact O-N 3.4Å
93Y80.1Confident82.6Confident170 Ų17078.4 Ų78.467%0.66738%0.383SS*.G310 helixtrans-70.1-20.6178.9-72.7-108000113R48 H90 G91R48-Y93 PolarHBondContact NH2-O 3.14Å; H90-Y93 WeakPolarHBondContact O-CB 3.19Å; H90-Y93 PolarHBondContact O-N 3.47Å; G91-Y93 PolarHBondContact O-N 3.47Å
94G78.2Confident82.6Confident40 Ų4077.4 Ų77.441%0.41238%0.38SS..G310 helixtrans-80-11.8172.700000115.1G91 V92 Q96G91-G94 PolarHBondContact O-N 2.95Å; V92-G94 PolarHBondContact O-N 3.11Å; G94-Q96 PolarHBondContact O-N 3.23Å
95L85.6Confident82.6Confident13 Ų1374 Ų747%0.06836%0.364CS..SBendtrans-64.8130.9174-65.8178.3000110.4V37 R48 A51 F76 L87 V92V37-L95 HydrophobicContact CB-CB 3.92Å; V37-L95 HydrophobicContact CG1-CB 4.32Å; V37-L95 HydrophobicContact CG2-CB 4.33Å; V37-L95 HydrophobicContact CG2-CD1 4.09Å; R48-L95 PolarHBondContact NH1-O 2.97Å; A51-L95 HydrophobicContact CB-CD1 4.38Å; F76-L95 HydrophobicContact CZ-CD1 4.39Å; L87-L95 HydrophobicContact CD2-CD1 4.32Å; L87-L95 HydrophobicContact CD2-CD2 3.59Å; L87-L95 HydrophobicContact CD2-CG 3.8Å; V92-L95 HydrophobicContact CG1-CD1 4.29Å; V92-L95 WeakPolarHBondContact O-CB 3.31Å; V92-L95 PolarHBondContact O-N 3.4Å
96Q85.5Confident82.7Confident118 Ų11877.6 Ų77.655%0.55138%0.383SS*.PPolyproline II helixtrans-67.8140.5-179.1-65.9-177.7-6.700110.5V37 V38 L40 G94V37-Q96 CarbonylContact C-O 3.55Å; V37-Q96 VanDerWaalsContact CA-O 3.23Å; V37-Q96 WeakPolarHBondContact CA-O 3.35Å; V38-Q96 PolarHBondContact N-O 3.26Å; L40-Q96 HydrophobicContact CD1-CG 4.26Å; G94-Q96 PolarHBondContact O-N 3.23Å
97R88.9Confident82.8Confident134 Ų13477.6 Ų77.651%0.50638%0.378SS..BIsolated β-bridgetrans-77.9139.6174.2-70.4-167.1-172.3102.41.6110.9P36 V37 L99P36-R97 CarbonylContact O-C 3.59Å; P36-R97 VanDerWaalsContact O-CA 3.25Å; P36-R97 WeakPolarHBondContact O-CA 3.29Å; V37-R97 HydrophobicContact CG1-CG 4.33Å; R97-L99 HydrophobicContact CB-CD2 4.39Å; R97-L99 PolarHBondContact O-N 2.85Å
98N87.9Confident82.9Confident33 Ų3378.6 Ų78.618%0.17638%0.382CS..  trans-8882.1172.5-161.5-25.3000111P36 V38 N45 L100 V101 E102P36-N98 HydrophobicContact CB-CB 4.16Å; P36-N98 HydrophobicContact CG-CB 4.2Å; P36-N98 WeakPolarHBondContact CG-O 3.23Å; P36-N98 PolarHBondContact O-N 3.44Å; V38-N98 HydrophobicContact CG2-CB 3.64Å; N45-N98 WeakPolarHBondContact OD1-CB 3.42Å; N45-N98 PolarHBondContact OD1-ND2 3.36Å; N98-L100 PolarHBondContact O-N 3.4Å; N98-L100 VanDerWaalsContact O-N 3.16Å; N98-L100 WeakPolarHBondContact OD1-CB 3.11Å; N98-L100 PolarHBondContact OD1-N 2.9Å; N98-V101 HydrophobicContact CB-CB 4.23Å; N98-V101 HydrophobicContact CB-CG2 4.28Å; N98-V101 WeakPolarHBondContact ND2-CG2 3.39Å; N98-V101 PolarHBondContact O-N 2.92Å; N98-V101 PolarHBondContact OD1-N 3.02Å; N98-E102 PolarHBondContact O-N 3.4Å
99L87.3Confident83.1Confident107 Ų10777.3 Ų77.356%0.5637%0.37SS*.Hα-helixtrans-59.9-24179-60.7178.6000112.9R97 N103R97-L99 HydrophobicContact CB-CD2 4.39Å; R97-L99 PolarHBondContact O-N 2.85Å; L99-N103 WeakPolarHBondContact O-CB 3.48Å; L99-N103 PolarHBondContact O-N 2.9Å; L99-N103 PolarHBondContact O-ND2 3.28Å; L99-N103 PolarHBondContact O-OD1 2.94Å
100L87.1Confident83.3Confident115 Ų11573.2 Ų73.260%0.60236%0.361SS*.Hα-helixtrans-71-44177.2-177.4150.4000111.3N98 N103 I104N98-L100 PolarHBondContact O-N 3.4Å; N98-L100 VanDerWaalsContact O-N 3.16Å; N98-L100 WeakPolarHBondContact OD1-CB 3.11Å; N98-L100 PolarHBondContact OD1-N 2.9Å; L100-N103 PolarHBondContact O-N 3.35Å; L100-I104 HydrophobicContact CD2-CD1 3.6Å; L100-I104 HydrophobicContact CG-CD1 4.42Å; L100-I104 VanDerWaalsContact O-CG1 3.31Å; L100-I104 WeakPolarHBondContact O-CG1 3.35Å; L100-I104 PolarHBondContact O-N 2.81Å
101V86.3Confident83.1Confident18 Ų1873.1 Ų73.111%0.10936%0.36CS..Hα-helixtrans-67.9-38.6174.2175.50000111.1L24 F33 P36 N98 I104 I105L24-V101 HydrophobicContact CD2-CG1 4.37Å; F33-V101 HydrophobicContact CB-CG1 4.27Å; F33-V101 HydrophobicContact CD2-CG1 3.79Å; F33-V101 HydrophobicContact CG-CG1 4.3Å; P36-V101 HydrophobicContact CB-CB 4.41Å; P36-V101 HydrophobicContact CB-CG1 4.24Å; P36-V101 HydrophobicContact CG-CB 3.97Å; P36-V101 HydrophobicContact CG-CG1 3.97Å; N98-V101 HydrophobicContact CB-CB 4.23Å; N98-V101 HydrophobicContact CB-CG2 4.28Å; N98-V101 WeakPolarHBondContact ND2-CG2 3.39Å; N98-V101 PolarHBondContact O-N 2.92Å; N98-V101 PolarHBondContact OD1-N 3.02Å; V101-I104 PolarHBondContact O-N 2.93Å; V101-I105 HydrophobicContact CG1-CD1 4Å; V101-I105 WeakPolarHBondContact O-CG1 3.18Å; V101-I105 PolarHBondContact O-N 3.31Å; V101-I105 VanDerWaalsContact O-N 3.15Å
102E86.4Confident82.3Confident44 Ų4476.3 Ų76.321%0.20638%0.38CS..Hα-helixtrans-60.3-45.9175.4-158.6156.2-151.200110.8K35 P36 N98 I105 D106K35-E102 WeakPolarHBondContact CA-OE1 3.39Å; K35-E102 VanDerWaalsContact CG-OE1 3.24Å; K35-E102 WeakPolarHBondContact CG-OE1 3.35Å; P36-E102 HydrophobicContact CG-CB 4.17Å; N98-E102 PolarHBondContact O-N 3.4Å; E102-I105 PolarHBondContact O-N 3.43Å; E102-D106 PolarHBondContact O-N 2.8Å
103N87.4Confident81.1Confident100 Ų10081.3 Ų81.354%0.53541%0.411SS..Hα-helixtrans-63.9-40.9175.5-71-15.5000113.8L99 L100 I105 D106 I107L99-N103 WeakPolarHBondContact O-CB 3.48Å; L99-N103 PolarHBondContact O-N 2.9Å; L99-N103 PolarHBondContact O-ND2 3.28Å; L99-N103 PolarHBondContact O-OD1 2.94Å; L100-N103 PolarHBondContact O-N 3.35Å; N103-I105 VanDerWaalsContact C-N 3.33Å; N103-I105 PolarHBondContact O-N 2.82Å; N103-D106 PolarHBondContact O-N 3.43Å; N103-I107 WeakPolarHBondContact O-CG1 3.41Å; N103-I107 PolarHBondContact O-N 3.3Å; N103-I107 VanDerWaalsContact O-N 3.11Å
104I87Confident79.7Confident74 Ų7481.5 Ų81.538%0.37941%0.41SS..Hα-helixtrans-64.7-39.5180-69.8168.7000110.8L24 L100 V101 D106 I107 Y108L24-I104 HydrophobicContact CD1-CG2 3.9Å; L24-I104 HydrophobicContact CD2-CB 4.44Å; L24-I104 HydrophobicContact CD2-CG2 3.86Å; L24-I104 HydrophobicContact CG-CG2 4.49Å; L100-I104 HydrophobicContact CD2-CD1 3.6Å; L100-I104 HydrophobicContact CG-CD1 4.42Å; L100-I104 VanDerWaalsContact O-CG1 3.31Å; L100-I104 WeakPolarHBondContact O-CG1 3.35Å; L100-I104 PolarHBondContact O-N 2.81Å; V101-I104 PolarHBondContact O-N 2.93Å; I104-D106 VanDerWaalsContact C-N 3.32Å; I104-D106 PolarHBondContact O-N 2.61Å; I104-I107 PolarHBondContact O-N 3.16Å; I104-Y108 PolarHBondContact O-N 3.27Å
105I85.4Confident78.2Confident3 Ų385.3 Ų85.32%0.01543%0.428CS..Hα-helixtrans-62.9-39177.1-73.5170.8000111.5L24 F33 V101 E102 N103 Y108 K109L24-I105 HydrophobicContact CB-CD1 4.28Å; L24-I105 HydrophobicContact CB-CG1 3.98Å; L24-I105 HydrophobicContact CD1-CG1 3.96Å; L24-I105 HydrophobicContact CD2-CG1 3.97Å; L24-I105 HydrophobicContact CG-CG1 4.17Å; F33-I105 HydrophobicContact CB-CD1 3.65Å; F33-I105 HydrophobicContact CD2-CD1 4.44Å; F33-I105 WeakPolarHBondContact O-CD1 3.47Å; V101-I105 HydrophobicContact CG1-CD1 4Å; V101-I105 WeakPolarHBondContact O-CG1 3.18Å; V101-I105 PolarHBondContact O-N 3.31Å; V101-I105 VanDerWaalsContact O-N 3.15Å; E102-I105 PolarHBondContact O-N 3.43Å; N103-I105 VanDerWaalsContact C-N 3.33Å; N103-I105 PolarHBondContact O-N 2.82Å; I105-Y108 PolarHBondContact O-N 3.46Å; I105-K109 HydrophobicContact CG2-CD 4.11Å; I105-K109 VanDerWaalsContact CG2-CE 3.42Å; I105-K109 WeakPolarHBondContact O-CD 3.37Å; I105-K109 VanDerWaalsContact O-CG 3.3Å; I105-K109 WeakPolarHBondContact O-CG 3.33Å; I105-K109 PolarHBondContact O-N 3.21Å; I105-K109 VanDerWaalsContact O-N 3.16Å
106D83.4Confident76.4Confident78 Ų7892.7 Ų92.742%0.41746%0.462SS..Hα-helixtrans-72.1-28.5177.7-74.7-12.4000112.9E102 N103 I104 Q110E102-D106 PolarHBondContact O-N 2.8Å; N103-D106 PolarHBondContact O-N 3.43Å; I104-D106 VanDerWaalsContact C-N 3.32Å; I104-D106 PolarHBondContact O-N 2.61Å; D106-Q110 VanDerWaalsContact O-CG 3.32Å; D106-Q110 WeakPolarHBondContact O-CG 3.44Å; D106-Q110 PolarHBondContact O-N 3.19Å; D106-Q110 PolarHBondContact O-NE2 2.68Å
107I83.2Confident74.7Confident111 Ų11196.6 Ų96.657%0.56948%0.478SS*.Hα-helixtrans-71.2-46.9171.4-65.5169000110.7N103 I104 K109 Q110 E111N103-I107 WeakPolarHBondContact O-CG1 3.41Å; N103-I107 PolarHBondContact O-N 3.3Å; N103-I107 VanDerWaalsContact O-N 3.11Å; I104-I107 PolarHBondContact O-N 3.16Å; I107-K109 VanDerWaalsContact C-N 3.31Å; I107-K109 PolarHBondContact O-N 3.2Å; I107-Q110 PolarHBondContact O-N 3.35Å; I107-E111 PolarHBondContact O-N 3.49Å; I107-E111 VanDerWaalsContact O-N 3.14Å
108Y80.9Confident72.6Confident31 Ų3199.8 Ų99.812%0.12250%0.495CS..Hα-helixtrans-55.8-45.2178.4178.9-89.2000111.9M17 E21 L24 M32 I104 I105 Q110 E111 S112M17-Y108 HydrophobicContact CE-CD2 3.8Å; M17-Y108 HydrophobicContact CE-CE2 3.71Å; E21-Y108 HydrophobicContact CB-CE2 4.22Å; E21-Y108 VanDerWaalsContact CD-OH 3.27Å; E21-Y108 PolarHBondContact OE1-OH 3.43Å; L24-Y108 HydrophobicContact CD1-CG 4.5Å; M32-Y108 HydrophobicContact CE-CD1 4.03Å; M32-Y108 HydrophobicContact CE-CE1 3.59Å; I104-Y108 PolarHBondContact O-N 3.27Å; I105-Y108 PolarHBondContact O-N 3.46Å; Y108-Q110 VanDerWaalsContact C-N 3.28Å; Y108-Q110 PolarHBondContact O-N 3.32Å; Y108-E111 PolarHBondContact O-N 3.08Å; Y108-S112 VanDerWaalsContact O-CB 3.29Å; Y108-S112 WeakPolarHBondContact O-CB 3.26Å; Y108-S112 PolarHBondContact O-N 2.97Å
109K79.1Confident70.4Confident95 Ų95103.4 Ų103.441%0.41352%0.523SS..Hα-helixtrans-64.3-27.5176.7-71167.3-176.61690114I105 I107 T113I105-K109 HydrophobicContact CG2-CD 4.11Å; I105-K109 VanDerWaalsContact CG2-CE 3.42Å; I105-K109 WeakPolarHBondContact O-CD 3.37Å; I105-K109 VanDerWaalsContact O-CG 3.3Å; I105-K109 WeakPolarHBondContact O-CG 3.33Å; I105-K109 PolarHBondContact O-N 3.21Å; I105-K109 VanDerWaalsContact O-N 3.16Å; I107-K109 VanDerWaalsContact C-N 3.31Å; I107-K109 PolarHBondContact O-N 3.2Å; K109-T113 WeakPolarHBondContact O-CG2 3.35Å; K109-T113 PolarHBondContact O-OG1 3.41Å
110Q75.6Confident68.8Low136 Ų136106 Ų10664%0.63654%0.538SS*.Hα-helixtrans-78.8-39.1178.3-77.7170.858.800112.1D106 I107 Y108 T113D106-Q110 VanDerWaalsContact O-CG 3.32Å; D106-Q110 WeakPolarHBondContact O-CG 3.44Å; D106-Q110 PolarHBondContact O-N 3.19Å; D106-Q110 PolarHBondContact O-NE2 2.68Å; I107-Q110 PolarHBondContact O-N 3.35Å; Y108-Q110 VanDerWaalsContact C-N 3.28Å; Y108-Q110 PolarHBondContact O-N 3.32Å; Q110-T113 PolarHBondContact O-OG1 2.86Å
111E71.2Confident67.5Low98 Ų98107 Ų10746%0.45854%0.539SS..Hα-helixtrans-75.5-37.9178.4-161.961.4-150.100111.5I107 Y108 T113 R114I107-E111 PolarHBondContact O-N 3.49Å; I107-E111 VanDerWaalsContact O-N 3.14Å; Y108-E111 PolarHBondContact O-N 3.08Å; E111-T113 PolarHBondContact O-N 2.9Å; E111-T113 VanDerWaalsContact O-N 3.08Å; E111-R114 PolarHBondContact O-N 3.46Å; E111-R114 WeakPolarHBondContact OE1-CD 3.32Å; E111-R114 IonicContact OE1-CZ 3.52Å; E111-R114 IonicContact OE1-NE 3.71Å; E111-R114 IonicContact OE1-NH1 2.82Å; E111-R114 PolarHBondContact OE1-NH1 2.87Å; E111-R114 IonicContact OE2-CZ 3.49Å; E111-R114 IonicContact OE2-NH1 2.74Å; E111-R114 PolarHBondContact OE2-NH1 3.03Å
112S62.8Low66.9Low80 Ų80110.4 Ų110.456%0.55956%0.561SS**THydrogen-bonded Turntrans-60.2-17.5176.4170.10000114.4Y108Y108-S112 VanDerWaalsContact O-CB 3.29Å; Y108-S112 WeakPolarHBondContact O-CB 3.26Å; Y108-S112 PolarHBondContact O-N 2.97Å
113T54.5Low66.7Low109 Ų109111.7 Ų111.767%0.66957%0.568SS**THydrogen-bonded Turntrans-102.314.3-177.148.20000114.6K109 Q110 E111K109-T113 WeakPolarHBondContact O-CG2 3.35Å; K109-T113 PolarHBondContact O-OG1 3.41Å; Q110-T113 PolarHBondContact O-OG1 2.86Å; E111-T113 PolarHBondContact O-N 2.9Å; E111-T113 VanDerWaalsContact O-N 3.08Å
114R49.8Very low66.5Low174 Ų174107.5 Ų107.566%0.65755%0.546SS*.PPolyproline II helixtrans-77.2125.7174.4-92.9173.1156.4-177.2-2.7113E111E111-R114 PolarHBondContact O-N 3.46Å; E111-R114 WeakPolarHBondContact OE1-CD 3.32Å; E111-R114 IonicContact OE1-CZ 3.52Å; E111-R114 IonicContact OE1-NE 3.71Å; E111-R114 IonicContact OE1-NH1 2.82Å; E111-R114 PolarHBondContact OE1-NH1 2.87Å; E111-R114 IonicContact OE2-CZ 3.49Å; E111-R114 IonicContact OE2-NH1 2.74Å; E111-R114 PolarHBondContact OE2-NH1 3.03Å
115P47.5Very low66.2Low121 Ų121113.3 Ų113.379%0.78657%0.572SS**PPolyproline II helixtrans-78.8131.2172.331-33.2000111.9
116E48.2Very low65.8Low167 Ų167119.2 Ų119.278%0.7860%0.6SS**PPolyproline II helixtrans-68.4162.5178.7-59.7-172.1128.300113.5
117K48.3Very low65.6Low201 Ų201118 Ų11887%0.87459%0.591SS**  trans-112.2129.2-175.9-75.6-1781761730113.3
118K45.2Very low65.1Low200 Ų200120.8 Ų120.887%0.8760%0.602SS**  trans9.2126.2155.7-62.4-175.2177.5-175.60118.5
119S41Very low64.7Low109 Ų109128 Ų12876%0.76264%0.637SS**  trans-63.6139.8167.3540000114.8
120D54.8Low64.7Low163 Ų163126.5 Ų126.587%0.87263%0.631SS**  trans-71.3158.3158-68.1-53.6000111.3
121Q60.4Low65Low136 Ų136126.6 Ų126.664%0.63663%0.626SS**  trans-112.4139.9177.7-71178.8-27.900110.4
122P73Confident65.6Low89 Ų89123.9 Ų123.958%0.57861%0.614SS**PPolyproline II helixtrans-70.7134.4-175.828.6-34.9000112.7I132P122-I132 HydrophobicContact CB-CD1 4.32Å; P122-I132 PolarHBondContact O-N 3.12Å
123M81.9Confident66.5Low71 Ų71123.3 Ų123.335%0.3561%0.605SS.*EExtended strand (participates in β ladder)trans-95.1163.1174.3-56.1-59.4-70.200110.3E128 E129 E130 R131 I132M123-E128 WeakPolarHBondContact CE-O 3.44Å; M123-E129 VanDerWaalsContact CE-O 3.28Å; M123-E129 WeakPolarHBondContact CE-O 3.34Å; M123-E130 WeakPolarHBondContact CA-O 3.29Å; M123-E130 WeakPolarHBondContact CE-O 3.26Å; M123-R131 HydrophobicContact CE-CG 4.16Å; M123-R131 HydrophobicContact SD-CG 3.56Å; M123-R131 VanDerWaalsContact SD-CG 3.56Å; M123-I132 WeakPolarHBondContact O-CD1 3.5Å
124C82.4Confident68.1Low11 Ų11119.7 Ų119.77%0.07458%0.581CS.*EExtended strand (participates in β ladder)trans-81.2134.3-179.4-177.40000112.6E126 H127 E128 E130 I132 C144C124-E126 VanDerWaalsContact C-N 3.31Å; C124-E126 PolarHBondContact O-N 2.89Å; C124-H127 HydrophobicContact CB-CB 4.06Å; C124-H127 CarbonylContact O-C 3.21Å; C124-H127 PolarHBondContact O-N 2.88Å; C124-H127 VanDerWaalsContact O-N 3.15Å; C124-E128 PolarHBondContact O-N 2.95Å; C124-E130 PolarHBondContact N-O 3.13Å; C124-I132 HydrophobicContact CB-CG1 4.38Å; C124-C144 HydrophobicContact CB-CB 3.85Å; C124-C144 VanDerWaalsContact SG-SG 3.63Å
125E80.6Confident70.1Confident197 Ų197112.5 Ų112.592%0.92155%0.554SS**THydrogen-bonded Turntrans-65.7-29.1179.7-58.8-174.1170.500113.8
126E77.6Confident72.2Confident127 Ų127106.8 Ų106.859%0.59352%0.517SS*.THydrogen-bonded Turntrans-86.5-18.6174-65-172.7145.200113.2C124 C147C124-E126 VanDerWaalsContact C-N 3.31Å; C124-E126 PolarHBondContact O-N 2.89Å; E126-C147 PolarHBondContact OE2-SG 3.46Å
127H79.1Confident74.2Confident52 Ų52101.8 Ų101.824%0.24150%0.495CS..EExtended strand (participates in β ladder)trans-142.979.5-168.1-59.993.8000109.9C124 E129 E130 L146 C147C124-H127 HydrophobicContact CB-CB 4.06Å; C124-H127 CarbonylContact O-C 3.21Å; C124-H127 PolarHBondContact O-N 2.88Å; C124-H127 VanDerWaalsContact O-N 3.15Å; H127-E129 PolarHBondContact O-N 3.46Å; H127-E130 HydrophobicContact CB-CB 4Å; H127-E130 PolarHBondContact O-N 2.95Å; H127-L146 HydrophobicContact CB-CD1 4.32Å; H127-L146 VanDerWaalsContact CD2-CD1 3.45Å; H127-L146 WeakPolarHBondContact CD2-CD1 3.39Å; H127-C147 VanDerWaalsContact CE1-SG 3.53Å; H127-C147 PolarHBondContact ND1-SG 3.38Å
128E72.4Confident76.2Confident170 Ų17097.1 Ų97.179%0.79448%0.48SS*.EExtended strand (participates in β ladder)trans-55.7-26.9-169.8-59.1-178.7175.200114.6M123 C124M123-E128 WeakPolarHBondContact CE-O 3.44Å; C124-E128 PolarHBondContact O-N 2.95Å
129E74.1Confident78.3Confident182 Ų18290.3 Ų90.385%0.8546%0.457SS*.EExtended strand (participates in β ladder)trans-86.3-12.9178.2-61.2-171.7170.600114.1M123 H127M123-E129 VanDerWaalsContact CE-O 3.28Å; M123-E129 WeakPolarHBondContact CE-O 3.34Å; H127-E129 PolarHBondContact O-N 3.46Å
130E77.3Confident80.6Confident64 Ų6492.3 Ų92.330%0.29945%0.454SS..EExtended strand (participates in β ladder)trans-100.5139.7-175.8-86.7-68.6175.700113.7M123 C124 H127 C144 L146M123-E130 WeakPolarHBondContact CA-O 3.29Å; M123-E130 WeakPolarHBondContact CE-O 3.26Å; C124-E130 PolarHBondContact N-O 3.13Å; H127-E130 HydrophobicContact CB-CB 4Å; H127-E130 PolarHBondContact O-N 2.95Å; E130-C144 HydrophobicContact CB-CB 4.03Å; E130-L146 HydrophobicContact CG-CD1 3.68Å; E130-L146 HydrophobicContact CG-CG 3.95Å
131R82.1Confident82.3Confident137 Ų13787.5 Ų87.552%0.51743%0.43SS..EExtended strand (participates in β ladder)trans-85.3144178.1-76.9176.8-178.171.47.8111.2M123 N133 C144M123-R131 HydrophobicContact CE-CG 4.16Å; M123-R131 HydrophobicContact SD-CG 3.56Å; M123-R131 VanDerWaalsContact SD-CG 3.56Å; R131-N133 PolarHBondContact O-N 3.04Å; R131-C144 WeakPolarHBondContact O-CB 3.44Å
132I85.6Confident83.7Confident41 Ų4184.2 Ų84.221%0.2142%0.421CS..  trans-72.1112.3169.3-62.8-175.5000108.6P122 M123 C124 P142 L161P122-I132 HydrophobicContact CB-CD1 4.32Å; P122-I132 PolarHBondContact O-N 3.12Å; M123-I132 WeakPolarHBondContact O-CD1 3.5Å; C124-I132 HydrophobicContact CB-CG1 4.38Å; I132-P142 HydrophobicContact CG2-CB 3.66Å; I132-P142 HydrophobicContact CG2-CG 4.4Å; I132-L161 HydrophobicContact CG2-CD2 4.18Å
133N81.6Confident84.5Confident68 Ų6880.4 Ų80.436%0.36440%0.396SS..  trans-136.5-10.5-169.864.9-11.9000114R131 T143 S145 L161R131-N133 PolarHBondContact O-N 3.04Å; N133-T143 PolarHBondContact N-O 3.03Å; N133-S145 PolarHBondContact ND2-OG 3.1Å; N133-L161 VanDerWaalsContact O-CB 3.29Å; N133-L161 WeakPolarHBondContact O-CB 3.28Å; N133-L161 PolarHBondContact O-N 2.94Å
134I87.9Confident84.8Confident33 Ų3377 Ų7717%0.16938%0.379CS..EExtended strand (participates in β ladder)trans-125.4155.2-174.1-71.4163.1000108.4P142 T143 V158I134-P142 WeakPolarHBondContact O-CA 3.34Å; I134-T143 HydrophobicContact CB-CG2 4.22Å; I134-T143 HydrophobicContact CG2-CG2 3.95Å; I134-T143 PolarHBondContact N-O 2.98Å; I134-T143 VanDerWaalsContact N-O 3.08Å; I134-T143 PolarHBondContact O-N 3.29Å; I134-T143 VanDerWaalsContact O-O 3.07Å; I134-V158 HydrophobicContact CG2-CB 3.57Å; I134-V158 HydrophobicContact CG2-CG1 3.82Å; I134-V158 HydrophobicContact CG2-CG2 4.14Å
135Y90.8Very high85Confident24 Ų2478.1 Ų78.19%0.09439%0.387CS..EExtended strand (participates in β ladder)trans-121.9134171.8-172.4-90.5000110.7L137 E140 P142 V158 A159 L161 V164Y135-L137 HydrophobicContact CD1-CD2 4.03Å; Y135-L137 HydrophobicContact CE1-CD2 4.3Å; Y135-E140 WeakPolarHBondContact CE2-O 3.19Å; Y135-E140 VanDerWaalsContact CZ-C 3.41Å; Y135-E140 VanDerWaalsContact CZ-O 3.26Å; Y135-E140 VanDerWaalsContact OH-CA 3.29Å; Y135-E140 WeakPolarHBondContact OH-CA 2.73Å; Y135-E140 PolarHBondContact OH-O 3.17Å; Y135-P142 HydrophobicContact CD2-CB 4.15Å; Y135-V158 CarbonylContact O-C 3.56Å; Y135-V158 VanDerWaalsContact O-CA 3.27Å; Y135-V158 WeakPolarHBondContact O-CA 3.15Å; Y135-A159 PolarHBondContact N-O 3.38Å; Y135-A159 PolarHBondContact O-N 3.28Å; Y135-L161 HydrophobicContact CD2-CD1 4.1Å; Y135-V164 HydrophobicContact CD1-CB 4.17Å; Y135-V164 HydrophobicContact CD1-CG1 3.71Å; Y135-V164 HydrophobicContact CD1-CG2 3.88Å; Y135-V164 HydrophobicContact CD2-CG1 4.34Å; Y135-V164 HydrophobicContact CE1-CG1 3.82Å; Y135-V164 HydrophobicContact CE2-CG1 4.47Å; Y135-V164 HydrophobicContact CG-CB 4.14Å; Y135-V164 HydrophobicContact CG-CG1 3.95Å; Y135-V164 HydrophobicContact CG-CG2 4.13Å
136C91.5Very high85.2Confident0 Ų071.5 Ų71.50%036%0.358CS..EExtended strand (participates in β ladder)trans-89.4115.4179.8-172.10000110.8C139 E140 V141 T143 C156 V158C136-C139 HydrophobicContact CB-CB 4.25Å; C136-C139 VanDerWaalsContact SG-SG 3.7Å; C136-E140 WeakPolarHBondContact O-CA 3.43Å; C136-E140 PolarHBondContact O-N 3.35Å; C136-V141 HydrophobicContact CB-CG2 4.37Å; C136-V141 WeakPolarHBondContact CB-O 3.48Å; C136-V141 PolarHBondContact N-O 3.5Å; C136-T143 HydrophobicContact CB-CG2 4.42Å; C136-C156 WeakPolarHBondContact SG-CB 3.46Å; C136-V158 HydrophobicContact CB-CG1 4.46Å
137L90.2Very high85.6Confident62 Ų6265.6 Ų65.633%0.32533%0.33SS..THydrogen-bonded Turntrans-77.8-22.4-176.5-64.2174.6000113Y135 Q157 A159 V164Y135-L137 HydrophobicContact CD1-CD2 4.03Å; Y135-L137 HydrophobicContact CE1-CD2 4.3Å; L137-Q157 HydrophobicContact CD1-CG 4.24Å; L137-Q157 PolarHBondContact N-O 3.2Å; L137-A159 HydrophobicContact CD1-CB 4.19Å; L137-A159 HydrophobicContact CD2-CB 4.49Å; L137-A159 HydrophobicContact CG-CB 4.39Å; L137-V164 HydrophobicContact CD2-CG2 4.19Å
138N91.3Very high85.9Confident104 Ų10465.7 Ų65.756%0.55633%0.33SS*.THydrogen-bonded Turntrans-89.2-13.2176.8-65.7109.2000114.2C156 Q157N138-C156 HydrophobicContact CB-CB 4.19Å; N138-Q157 WeakPolarHBondContact OD1-CB 3.49Å; N138-Q157 PolarHBondContact OD1-N 3.1Å
139C88.8Confident86.4Confident57 Ų5761.6 Ų61.639%0.38532%0.316SS..THydrogen-bonded Turntrans-124.6-1.1-177.8-54.20000112.8C136 V141C136-C139 HydrophobicContact CB-CB 4.25Å; C136-C139 VanDerWaalsContact SG-SG 3.7Å; C139-V141 HydrophobicContact CB-CG2 3.83Å; C139-V141 PolarHBondContact O-N 2.9Å
140E90Very high86.8Confident150 Ų15060.7 Ų60.770%0.70131%0.31SS*.  trans5323.4178.2-56.1-166.914700115.6Y135 C136Y135-E140 WeakPolarHBondContact CE2-O 3.19Å; Y135-E140 VanDerWaalsContact CZ-C 3.41Å; Y135-E140 VanDerWaalsContact CZ-O 3.26Å; Y135-E140 VanDerWaalsContact OH-CA 3.29Å; Y135-E140 WeakPolarHBondContact OH-CA 2.73Å; Y135-E140 PolarHBondContact OH-O 3.17Å; C136-E140 WeakPolarHBondContact O-CA 3.43Å; C136-E140 PolarHBondContact O-N 3.35Å
141V89.4Confident87.1Confident63 Ų6358.9 Ų58.938%0.38231%0.308SS..  trans-115.2144.6-179.9-71.60000112.8C136 C139C136-V141 HydrophobicContact CB-CG2 4.37Å; C136-V141 WeakPolarHBondContact CB-O 3.48Å; C136-V141 PolarHBondContact N-O 3.5Å; C139-V141 HydrophobicContact CB-CG2 3.83Å; C139-V141 PolarHBondContact O-N 2.9Å
142P89.7Confident87.1Confident67 Ų6756.1 Ų56.144%0.43532%0.315SS..EExtended strand (participates in β ladder)trans-74.1143.516936-36.7000110.1I132 I134 Y135 L161I132-P142 HydrophobicContact CG2-CB 3.66Å; I132-P142 HydrophobicContact CG2-CG 4.4Å; I134-P142 WeakPolarHBondContact O-CA 3.34Å; Y135-P142 HydrophobicContact CD2-CB 4.15Å; P142-L161 HydrophobicContact CB-CD1 3.97Å
143T89.2Confident87.1Confident8 Ų855.6 Ų55.65%0.04931%0.312CS..EExtended strand (participates in β ladder)trans-149.7174.4-170.6-163.60000112.2N133 I134 C136 C147 H153N133-T143 PolarHBondContact N-O 3.03Å; I134-T143 HydrophobicContact CB-CG2 4.22Å; I134-T143 HydrophobicContact CG2-CG2 3.95Å; I134-T143 PolarHBondContact N-O 2.98Å; I134-T143 VanDerWaalsContact N-O 3.08Å; I134-T143 PolarHBondContact O-N 3.29Å; I134-T143 VanDerWaalsContact O-O 3.07Å; C136-T143 HydrophobicContact CB-CG2 4.42Å; T143-C147 WeakPolarHBondContact OG1-CB 3.29Å; T143-H153 PolarHBondContact OG1-CD2 3.21Å
144C88.9Confident87.3Confident0 Ų058.3 Ų58.30%032%0.32CS..  trans-109.1171.1179.882.80000113.1C124 E130 R131 L146 C147 K148C124-C144 HydrophobicContact CB-CB 3.85Å; C124-C144 VanDerWaalsContact SG-SG 3.63Å; E130-C144 HydrophobicContact CB-CB 4.03Å; R131-C144 WeakPolarHBondContact O-CB 3.44Å; C144-L146 VanDerWaalsContact C-N 3.34Å; C144-L146 PolarHBondContact O-N 3.48Å; C144-C147 PolarHBondContact O-N 3.31Å; C144-K148 PolarHBondContact O-N 3.41Å
145S86.6Confident87.4Confident35 Ų3563.8 Ų63.825%0.24535%0.35CS..Hα-helixtrans-57.2-40.9180-41.70000113.2N133 K148 V149N133-S145 PolarHBondContact ND2-OG 3.1Å; S145-K148 PolarHBondContact O-N 3.05Å; S145-V149 WeakPolarHBondContact O-CG2 3.19Å; S145-V149 PolarHBondContact O-N 2.82Å
146L86.1Confident87.3Confident58 Ų5863.8 Ų63.830%0.30435%0.353SS..Hα-helixtrans-71.9-41.9-178-68.5176.9000112.6H127 E130 C144 K148 V149 F150 G151H127-L146 HydrophobicContact CB-CD1 4.32Å; H127-L146 VanDerWaalsContact CD2-CD1 3.45Å; H127-L146 WeakPolarHBondContact CD2-CD1 3.39Å; E130-L146 HydrophobicContact CG-CD1 3.68Å; E130-L146 HydrophobicContact CG-CG 3.95Å; C144-L146 VanDerWaalsContact C-N 3.34Å; C144-L146 PolarHBondContact O-N 3.48Å; L146-K148 PolarHBondContact O-N 2.91Å; L146-K148 VanDerWaalsContact O-N 3.15Å; L146-V149 PolarHBondContact O-N 2.76Å; L146-F150 HydrophobicContact CD2-CD2 4.03Å; L146-F150 HydrophobicContact CD2-CE2 4.32Å; L146-F150 PolarHBondContact O-N 3.08Å; L146-G151 PolarHBondContact O-N 2.94Å
147C84.9Confident87.2Confident3 Ų370.1 Ų70.12%0.0238%0.382CS..Hα-helixtrans-57.3-28.1173-63.90000112.8E126 H127 T143 C144 G151 H153E126-C147 PolarHBondContact OE2-SG 3.46Å; H127-C147 VanDerWaalsContact CE1-SG 3.53Å; H127-C147 PolarHBondContact ND1-SG 3.38Å; T143-C147 WeakPolarHBondContact OG1-CB 3.29Å; C144-C147 PolarHBondContact O-N 3.31Å; C147-G151 CarbonylContact O-C 3.52Å; C147-G151 WeakPolarHBondContact O-CA 3.32Å; C147-G151 PolarHBondContact O-N 2.93Å; C147-H153 PolarHBondContact O-N 3.43Å
148K85.5Confident87.2Confident53 Ų5369.4 Ų69.423%0.2338%0.381CS..Hα-helixtrans-85.6-35175.5174.255.9-166.6167.80114.3C144 S145 L146 H153 K154 C156 V158C144-K148 PolarHBondContact O-N 3.41Å; S145-K148 PolarHBondContact O-N 3.05Å; L146-K148 PolarHBondContact O-N 2.91Å; L146-K148 VanDerWaalsContact O-N 3.15Å; K148-H153 WeakPolarHBondContact CD-O 3.34Å; K148-H153 PolarHBondContact NZ-O 3.43Å; K148-K154 PolarHBondContact NZ-O 2.88Å; K148-K154 WeakPolarHBondContact O-CA 3.37Å; K148-C156 PolarHBondContact NZ-O 3.38Å; K148-V158 HydrophobicContact CD-CG1 3.76Å; K148-V158 HydrophobicContact CD-CG2 3.9Å; K148-V158 HydrophobicContact CG-CG1 4.31Å; K148-V158 HydrophobicContact CG-CG2 4.11Å
149V83.5Confident87.1Confident84 Ų8465.2 Ų65.251%0.50936%0.361SS..Hα-helixtrans-86.9-37-177.1-179.10000112.2S145 L146S145-V149 WeakPolarHBondContact O-CG2 3.19Å; S145-V149 PolarHBondContact O-N 2.82Å; L146-V149 PolarHBondContact O-N 2.76Å
150F81.1Confident87.1Confident164 Ų16466.4 Ų66.472%0.71937%0.368SS*.THydrogen-bonded Turntrans-128.1-24.7-173.2-57.2-70.1000114.4L146L146-F150 HydrophobicContact CD2-CD2 4.03Å; L146-F150 HydrophobicContact CD2-CE2 4.32Å; L146-F150 PolarHBondContact O-N 3.08Å
151G83.5Confident87.1Confident25 Ų2561.6 Ų61.626%0.25835%0.346SS..SBendtrans-88.5-159.8-178.800000115.4L146 C147 H153 K154L146-G151 PolarHBondContact O-N 2.94Å; C147-G151 CarbonylContact O-C 3.52Å; C147-G151 WeakPolarHBondContact O-CA 3.32Å; C147-G151 PolarHBondContact O-N 2.93Å; G151-H153 VanDerWaalsContact C-N 3.27Å; G151-H153 PolarHBondContact O-N 3.03Å; G151-H153 VanDerWaalsContact O-N 3.15Å; G151-K154 PolarHBondContact O-N 2.95Å
152A83.9Confident86.9Confident80 Ų8063.1 Ų63.166%0.66136%0.356SS*.THydrogen-bonded Turntrans-62.4-22.6-168.400000115.7K154A152-K154 VanDerWaalsContact C-N 3.34Å; A152-K154 PolarHBondContact O-N 2.72Å
153H85.5Confident86.8Confident30 Ų3065.2 Ų65.214%0.13936%0.36CS..THydrogen-bonded Turntrans-94.516.3-177.5-61.3-54.8000114T143 C147 K148 G151 D155 C156T143-H153 PolarHBondContact OG1-CD2 3.21Å; C147-H153 PolarHBondContact O-N 3.43Å; K148-H153 WeakPolarHBondContact CD-O 3.34Å; K148-H153 PolarHBondContact NZ-O 3.43Å; G151-H153 VanDerWaalsContact C-N 3.27Å; G151-H153 PolarHBondContact O-N 3.03Å; G151-H153 VanDerWaalsContact O-N 3.15Å; H153-D155 VanDerWaalsContact C-N 3.32Å; H153-D155 PolarHBondContact O-N 3.23Å; H153-C156 HydrophobicContact CB-CB 4.2Å; H153-C156 WeakPolarHBondContact O-CB 3.44Å; H153-C156 PolarHBondContact O-N 3.14Å; H153-C156 VanDerWaalsContact O-N 3.1Å
154K85.8Confident86.9Confident124 Ų12465 Ų6554%0.53936%0.358SS..THydrogen-bonded Turntrans-46.9-48.9-177.1-173.1-174.1173.6-166.40114K148 G151 A152K148-K154 PolarHBondContact NZ-O 2.88Å; K148-K154 WeakPolarHBondContact O-CA 3.37Å; G151-K154 PolarHBondContact O-N 2.95Å; A152-K154 VanDerWaalsContact C-N 3.34Å; A152-K154 PolarHBondContact O-N 2.72Å
155D88.3Confident87Confident148 Ų14871 Ų7179%0.79139%0.385SS*.THydrogen-bonded Turntrans-98.3-0.1-175.7-56.2-52.2000113.2H153H153-D155 VanDerWaalsContact C-N 3.32Å; H153-D155 PolarHBondContact O-N 3.23Å
156C90.6Very high87.3Confident24 Ų2475.6 Ų75.616%0.16240%0.402CS..SBendtrans-77.5145.7177.7-55.60000112.6C136 N138 K148 H153C136-C156 WeakPolarHBondContact SG-CB 3.46Å; N138-C156 HydrophobicContact CB-CB 4.19Å; K148-C156 PolarHBondContact NZ-O 3.38Å; H153-C156 HydrophobicContact CB-CB 4.2Å; H153-C156 WeakPolarHBondContact O-CB 3.44Å; H153-C156 PolarHBondContact O-N 3.14Å; H153-C156 VanDerWaalsContact O-N 3.1Å
157Q88.6Confident87.5Confident133 Ų13377.9 Ų77.962%0.62141%0.407SS*.  trans-71137.5167.2-162.317820.700110.3L137 N138L137-Q157 HydrophobicContact CD1-CG 4.24Å; L137-Q157 PolarHBondContact N-O 3.2Å; N138-Q157 WeakPolarHBondContact OD1-CB 3.49Å; N138-Q157 PolarHBondContact OD1-N 3.1Å
158V90.3Very high87.9Confident47 Ų4781.3 Ų81.329%0.28542%0.422SS..EExtended strand (participates in β ladder)trans-133.3154.7-177.6-68.60000111.4I134 Y135 C136 K148I134-V158 HydrophobicContact CG2-CB 3.57Å; I134-V158 HydrophobicContact CG2-CG1 3.82Å; I134-V158 HydrophobicContact CG2-CG2 4.14Å; Y135-V158 CarbonylContact O-C 3.56Å; Y135-V158 VanDerWaalsContact O-CA 3.27Å; Y135-V158 WeakPolarHBondContact O-CA 3.15Å; C136-V158 HydrophobicContact CB-CG1 4.46Å; K148-V158 HydrophobicContact CD-CG1 3.76Å; K148-V158 HydrophobicContact CD-CG2 3.9Å; K148-V158 HydrophobicContact CG-CG1 4.31Å; K148-V158 HydrophobicContact CG-CG2 4.11Å
159A89.3Confident88.3Confident17 Ų1785.2 Ų85.214%0.1444%0.439CS..EExtended strand (participates in β ladder)trans-131.4158.8173.800000111Y135 L137 L161 V164Y135-A159 PolarHBondContact N-O 3.38Å; Y135-A159 PolarHBondContact O-N 3.28Å; L137-A159 HydrophobicContact CD1-CB 4.19Å; L137-A159 HydrophobicContact CD2-CB 4.49Å; L137-A159 HydrophobicContact CG-CB 4.39Å; A159-L161 PolarHBondContact O-N 3.35Å; A159-V164 HydrophobicContact CB-CG2 3.78Å
160P89.5Confident88.8Confident81 Ų8183.7 Ų83.753%0.52643%0.433SS..EExtended strand (participates in β ladder)trans-57.9131.7170.1-22.233.7000110.5T162 H163 V164P160-T162 PolarHBondContact O-N 3.44Å; P160-T162 VanDerWaalsContact O-N 3.15Å; P160-H163 PolarHBondContact O-N 2.85Å; P160-V164 PolarHBondContact O-N 3.2Å
161L87.9Confident89.5Confident49 Ų4980.2 Ų80.226%0.25742%0.419SS..Hα-helixtrans-56.9-35-176.2-17963.2000112.2I132 N133 Y135 P142 A159 H163 V164 F165I132-L161 HydrophobicContact CG2-CD2 4.18Å; N133-L161 VanDerWaalsContact O-CB 3.29Å; N133-L161 WeakPolarHBondContact O-CB 3.28Å; N133-L161 PolarHBondContact O-N 2.94Å; Y135-L161 HydrophobicContact CD2-CD1 4.1Å; P142-L161 HydrophobicContact CB-CD1 3.97Å; A159-L161 PolarHBondContact O-N 3.35Å; L161-H163 VanDerWaalsContact C-N 3.34Å; L161-H163 PolarHBondContact O-N 2.64Å; L161-V164 PolarHBondContact O-N 3.19Å; L161-F165 WeakPolarHBondContact O-CB 3.42Å; L161-F165 PolarHBondContact O-N 3.05Å
162T85.9Confident90.1Very high95 Ų9584.6 Ų84.658%0.58344%0.436SS*.Hα-helixtrans-59.1-38.7176.3490000113.6P160 Q166P160-T162 PolarHBondContact O-N 3.44Å; P160-T162 VanDerWaalsContact O-N 3.15Å; T162-Q166 WeakPolarHBondContact O-CB 3.3Å; T162-Q166 VanDerWaalsContact O-CG 3.23Å; T162-Q166 WeakPolarHBondContact O-CG 3.42Å; T162-Q166 PolarHBondContact O-N 3.06Å
163H88.8Confident90.7Very high112 Ų11284.1 Ų84.152%0.51943%0.427SS..Hα-helixtrans-73.8-42.7-178.9-177.7-93.2000111.4P160 L161 Q166 R167P160-H163 PolarHBondContact O-N 2.85Å; L161-H163 VanDerWaalsContact C-N 3.34Å; L161-H163 PolarHBondContact O-N 2.64Å; H163-Q166 PolarHBondContact O-N 2.97Å; H163-R167 WeakPolarHBondContact O-CB 3.44Å; H163-R167 PolarHBondContact O-N 3.18Å
164V91.2Very high91.3Very high2 Ų287.4 Ų87.41%0.01245%0.446CS..Hα-helixtrans-67-43.5176.2-177.90000110.7Y135 L137 A159 P160 L161 Q166 R167 Q168Y135-V164 HydrophobicContact CD1-CB 4.17Å; Y135-V164 HydrophobicContact CD1-CG1 3.71Å; Y135-V164 HydrophobicContact CD1-CG2 3.88Å; Y135-V164 HydrophobicContact CD2-CG1 4.34Å; Y135-V164 HydrophobicContact CE1-CG1 3.82Å; Y135-V164 HydrophobicContact CE2-CG1 4.47Å; Y135-V164 HydrophobicContact CG-CB 4.14Å; Y135-V164 HydrophobicContact CG-CG1 3.95Å; Y135-V164 HydrophobicContact CG-CG2 4.13Å; L137-V164 HydrophobicContact CD2-CG2 4.19Å; A159-V164 HydrophobicContact CB-CG2 3.78Å; P160-V164 PolarHBondContact O-N 3.2Å; L161-V164 PolarHBondContact O-N 3.19Å; V164-Q166 PolarHBondContact O-N 3.23Å; V164-R167 PolarHBondContact O-N 3.38Å; V164-Q168 HydrophobicContact CG1-CG 4.27Å; V164-Q168 WeakPolarHBondContact O-CB 3.4Å; V164-Q168 PolarHBondContact O-N 3.23Å
165F89.9Confident91.9Very high127 Ų12783 Ų8356%0.55744%0.435SS*.Hα-helixtrans-58.1-45.7174.1171.8-101.2000112.4L161 K169L161-F165 WeakPolarHBondContact O-CB 3.42Å; L161-F165 PolarHBondContact O-N 3.05Å; F165-K169 HydrophobicContact CE1-CD 4.3Å; F165-K169 HydrophobicContact CZ-CD 4.17Å; F165-K169 WeakPolarHBondContact O-CB 3.42Å; F165-K169 PolarHBondContact O-N 2.83Å
166Q92.4Very high92.3Very high131 Ų13180.9 Ų80.961%0.61242%0.423SS*.Hα-helixtrans-62-43.9177.4-79.6173.2-700111.7T162 H163 V164 K169 S170T162-Q166 WeakPolarHBondContact O-CB 3.3Å; T162-Q166 VanDerWaalsContact O-CG 3.23Å; T162-Q166 WeakPolarHBondContact O-CG 3.42Å; T162-Q166 PolarHBondContact O-N 3.06Å; H163-Q166 PolarHBondContact O-N 2.97Å; V164-Q166 PolarHBondContact O-N 3.23Å; Q166-K169 PolarHBondContact O-N 2.86Å; Q166-S170 PolarHBondContact O-N 3.46Å; Q166-S170 PolarHBondContact O-OG 2.65Å
167R91.9Very high92.6Very high107 Ų10782.7 Ų82.740%0.40444%0.44SS..Hα-helixtrans-65.1-50.6178-179.9178.568.9104.5-4.7112.8H163 V164 K169 S170 E171H163-R167 WeakPolarHBondContact O-CB 3.44Å; H163-R167 PolarHBondContact O-N 3.18Å; V164-R167 PolarHBondContact O-N 3.38Å; R167-K169 PolarHBondContact O-N 3.43Å; R167-S170 PolarHBondContact O-N 3.47Å; R167-S170 VanDerWaalsContact O-N 3.14Å; R167-S170 PolarHBondContact O-OG 2.79Å; R167-E171 WeakPolarHBondContact CD-OE1 3.43Å; R167-E171 HydrophobicContact CG-CG 4.31Å; R167-E171 WeakPolarHBondContact CG-OE1 3.24Å; R167-E171 IonicContact CZ-OE1 3.7Å; R167-E171 IonicContact NE-OE1 2.67Å; R167-E171 IonicContact NH1-OE1 3.88Å; R167-E171 PolarHBondContact NH1-OE1 2.78Å; R167-E171 IonicContact NH1-OE2 2.97Å; R167-E171 WeakPolarHBondContact O-CB 3.44Å; R167-E171 VanDerWaalsContact O-CG 3.31Å; R167-E171 WeakPolarHBondContact O-CG 3.31Å; R167-E171 PolarHBondContact O-N 3.14Å
168Q92Very high93Very high74 Ų7482.4 Ų82.435%0.34644%0.441SS..Hα-helixtrans-62.3-34.3177-75.4175.3-29.800111.1V164 L172V164-Q168 HydrophobicContact CG1-CG 4.27Å; V164-Q168 WeakPolarHBondContact O-CB 3.4Å; V164-Q168 PolarHBondContact O-N 3.23Å; Q168-L172 VanDerWaalsContact O-CB 3.29Å; Q168-L172 WeakPolarHBondContact O-CB 3.43Å; Q168-L172 WeakPolarHBondContact O-CD1 3.3Å; Q168-L172 VanDerWaalsContact O-CG 3.22Å; Q168-L172 WeakPolarHBondContact O-CG 3.19Å; Q168-L172 PolarHBondContact O-N 2.89Å
169K94.3Very high93.3Very high135 Ų13585.4 Ų85.459%0.58746%0.455SS*.Hα-helixtrans-67.3-38.2173.9-175.1175.6179.2-179.30112.8F165 Q166 R167 S173F165-K169 HydrophobicContact CE1-CD 4.3Å; F165-K169 HydrophobicContact CZ-CD 4.17Å; F165-K169 WeakPolarHBondContact O-CB 3.42Å; F165-K169 PolarHBondContact O-N 2.83Å; Q166-K169 PolarHBondContact O-N 2.86Å; R167-K169 PolarHBondContact O-N 3.43Å; K169-S173 VanDerWaalsContact O-CB 3.23Å; K169-S173 WeakPolarHBondContact O-CB 3.42Å; K169-S173 PolarHBondContact O-N 2.95Å
170S95.3Very high93.8Very high53 Ų5388.1 Ų88.137%0.37147%0.47SS..Hα-helixtrans-69.4-47.3172.348.70000111.5Q166 R167 L172 S173 D174Q166-S170 PolarHBondContact O-N 3.46Å; Q166-S170 PolarHBondContact O-OG 2.65Å; R167-S170 PolarHBondContact O-N 3.47Å; R167-S170 VanDerWaalsContact O-N 3.14Å; R167-S170 PolarHBondContact O-OG 2.79Å; S170-L172 VanDerWaalsContact C-N 3.28Å; S170-L172 PolarHBondContact O-N 3.44Å; S170-S173 CarbonylContact O-C 3.44Å; S170-S173 WeakPolarHBondContact O-CA 3.48Å; S170-S173 WeakPolarHBondContact O-CB 3.33Å; S170-S173 PolarHBondContact O-N 2.88Å; S170-D174 WeakPolarHBondContact O-CB 3.38Å; S170-D174 PolarHBondContact O-N 2.66Å
171E95.6Very high94.2Very high91 Ų9185.4 Ų85.443%0.42546%0.456SS..Hα-helixtrans-55.3-42.5177.7-70.2163.7173.800111.4R167 G175R167-E171 WeakPolarHBondContact CD-OE1 3.43Å; R167-E171 HydrophobicContact CG-CG 4.31Å; R167-E171 WeakPolarHBondContact CG-OE1 3.24Å; R167-E171 IonicContact CZ-OE1 3.7Å; R167-E171 IonicContact NE-OE1 2.67Å; R167-E171 IonicContact NH1-OE1 3.88Å; R167-E171 PolarHBondContact NH1-OE1 2.78Å; R167-E171 IonicContact NH1-OE2 2.97Å; R167-E171 WeakPolarHBondContact O-CB 3.44Å; R167-E171 VanDerWaalsContact O-CG 3.31Å; R167-E171 WeakPolarHBondContact O-CG 3.31Å; R167-E171 PolarHBondContact O-N 3.14Å; E171-G175 PolarHBondContact O-N 3.17Å; E171-G175 VanDerWaalsContact O-N 3.1Å
172L96Very high94.6Very high117 Ų11785.5 Ų85.561%0.61346%0.461SS*.Hα-helixtrans-69-40.1172.9-73168.6000113.1Q168 S170 G175 I176Q168-L172 VanDerWaalsContact O-CB 3.29Å; Q168-L172 WeakPolarHBondContact O-CB 3.43Å; Q168-L172 WeakPolarHBondContact O-CD1 3.3Å; Q168-L172 VanDerWaalsContact O-CG 3.22Å; Q168-L172 WeakPolarHBondContact O-CG 3.19Å; Q168-L172 PolarHBondContact O-N 2.89Å; S170-L172 VanDerWaalsContact C-N 3.28Å; S170-L172 PolarHBondContact O-N 3.44Å; L172-G175 PolarHBondContact O-N 3.5Å; L172-I176 WeakPolarHBondContact O-CB 3.29Å; L172-I176 WeakPolarHBondContact O-CD1 3.47Å; L172-I176 WeakPolarHBondContact O-CG1 3.34Å; L172-I176 PolarHBondContact O-N 2.71Å
173S96.6Very high95.2Very high69 Ų6986.1 Ų86.148%0.48346%0.461SS..Hα-helixtrans-64.8-39.3178.3-1700000112.1K169 S170 I176 A177K169-S173 VanDerWaalsContact O-CB 3.23Å; K169-S173 WeakPolarHBondContact O-CB 3.42Å; K169-S173 PolarHBondContact O-N 2.95Å; S170-S173 CarbonylContact O-C 3.44Å; S170-S173 WeakPolarHBondContact O-CA 3.48Å; S170-S173 WeakPolarHBondContact O-CB 3.33Å; S170-S173 PolarHBondContact O-N 2.88Å; S173-I176 PolarHBondContact O-N 2.69Å; S173-A177 WeakPolarHBondContact O-CB 3.43Å; S173-A177 PolarHBondContact O-N 3.21Å
174D97.3Very high95.6Very high99 Ų9985.9 Ų85.953%0.52946%0.464SS..Hα-helixtrans-70.7-41.7178.5-62-26.4000110.4S170 A177 I178S170-D174 WeakPolarHBondContact O-CB 3.38Å; S170-D174 PolarHBondContact O-N 2.66Å; D174-A177 PolarHBondContact O-N 3.49Å; D174-I178 WeakPolarHBondContact O-CG1 3.22Å; D174-I178 PolarHBondContact O-N 3.04Å
175G97.6Very high96Very high31 Ų3194.7 Ų94.732%0.3250%0.497SS..Hα-helixtrans-60.7-42.6171.700000113.1E171 L172 I178 L179E171-G175 PolarHBondContact O-N 3.17Å; E171-G175 VanDerWaalsContact O-N 3.1Å; L172-G175 PolarHBondContact O-N 3.5Å; G175-I178 PolarHBondContact O-N 3.14Å; G175-L179 WeakPolarHBondContact O-CG 3.49Å; G175-L179 PolarHBondContact O-N 3.28Å
176I97.2Very high96.4Very high104 Ų10492.4 Ų92.453%0.53349%0.493SS..Hα-helixtrans-62.9-42.6173.8-71.6163.6000110.8L172 S173 I178 L179 V180L172-I176 WeakPolarHBondContact O-CB 3.29Å; L172-I176 WeakPolarHBondContact O-CD1 3.47Å; L172-I176 WeakPolarHBondContact O-CG1 3.34Å; L172-I176 PolarHBondContact O-N 2.71Å; S173-I176 PolarHBondContact O-N 2.69Å; I176-I178 VanDerWaalsContact C-N 3.34Å; I176-I178 PolarHBondContact O-N 3.41Å; I176-L179 PolarHBondContact O-N 2.81Å; I176-V180 HydrophobicContact CG2-CG2 4.33Å; I176-V180 WeakPolarHBondContact O-CG2 3.36Å; I176-V180 PolarHBondContact O-N 3.08Å
177A97.2Very high96.6Very high62 Ų6291.3 Ų91.351%0.51249%0.488SS..Hα-helixtrans-62.5-38.9177.800000112.6S173 D174 G181S173-A177 WeakPolarHBondContact O-CB 3.43Å; S173-A177 PolarHBondContact O-N 3.21Å; D174-A177 PolarHBondContact O-N 3.49Å; A177-G181 PolarHBondContact O-N 3.22Å
178I97.4Very high97Very high127 Ų12787.8 Ų87.865%0.65149%0.485SS*.Hα-helixtrans-64.7-43.5173.8-67.5165.5000111D174 G175 I176 G181 S182D174-I178 WeakPolarHBondContact O-CG1 3.22Å; D174-I178 PolarHBondContact O-N 3.04Å; G175-I178 PolarHBondContact O-N 3.14Å; I176-I178 VanDerWaalsContact C-N 3.34Å; I176-I178 PolarHBondContact O-N 3.41Å; I178-G181 PolarHBondContact O-N 3.37Å; I178-S182 WeakPolarHBondContact O-CB 3.26Å; I178-S182 PolarHBondContact O-N 3.48Å
179L97.1Very high97.3Very high111 Ų11188 Ų8858%0.58149%0.492SS*.Hα-helixtrans-65.3-41.1177.9-72.6171.5000112.4G175 I176 S182 N183G175-L179 WeakPolarHBondContact O-CG 3.49Å; G175-L179 PolarHBondContact O-N 3.28Å; I176-L179 PolarHBondContact O-N 2.81Å; L179-S182 WeakPolarHBondContact O-CB 3.42Å; L179-S182 PolarHBondContact O-N 2.8Å; L179-S182 VanDerWaalsContact O-N 3.16Å; L179-N183 VanDerWaalsContact O-CG 3.29Å; L179-N183 PolarHBondContact O-N 3.14Å; L179-N183 PolarHBondContact O-OD1 2.76Å
180V97.9Very high97.5Very high73 Ų7384.9 Ų84.944%0.44248%0.48SS..Hα-helixtrans-59.2-52173.6169.80000110.3I176 S182 N183 D184I176-V180 HydrophobicContact CG2-CG2 4.33Å; I176-V180 WeakPolarHBondContact O-CG2 3.36Å; I176-V180 PolarHBondContact O-N 3.08Å; V180-S182 PolarHBondContact O-N 2.88Å; V180-S182 VanDerWaalsContact O-N 3.15Å; V180-N183 WeakPolarHBondContact O-CB 3.27Å; V180-N183 PolarHBondContact O-N 2.97Å; V180-D184 VanDerWaalsContact O-CG 3.3Å; V180-D184 PolarHBondContact O-N 2.99Å
181G97.8Very high97.6Very high24 Ų2484.5 Ų84.525%0.24748%0.477CS..Hα-helixtrans-65.9-15.6176.800000114.7A177 I178 R185A177-G181 PolarHBondContact O-N 3.22Å; I178-G181 PolarHBondContact O-N 3.37Å; G181-R185 WeakPolarHBondContact O-CD 3.34Å; G181-R185 WeakPolarHBondContact O-CG 3.5Å
182S97.4Very high97.8Very high52 Ų5286.5 Ų86.536%0.36449%0.487SS..Hα-helixtrans-81.2-42.3169.3-163.40000111.4I178 L179 V180 R185 V186I178-S182 WeakPolarHBondContact O-CB 3.26Å; I178-S182 PolarHBondContact O-N 3.48Å; L179-S182 WeakPolarHBondContact O-CB 3.42Å; L179-S182 PolarHBondContact O-N 2.8Å; L179-S182 VanDerWaalsContact O-N 3.16Å; V180-S182 PolarHBondContact O-N 2.88Å; V180-S182 VanDerWaalsContact O-N 3.15Å; S182-R185 WeakPolarHBondContact O-CB 3.34Å; S182-R185 PolarHBondContact O-N 2.89Å; S182-V186 WeakPolarHBondContact O-CG2 3.42Å; S182-V186 PolarHBondContact O-N 2.84Å
183N97.8Very high97.9Very high107 Ų10786 Ų8657%0.57248%0.484SS*.Hα-helixtrans-63.3-41.1175.2-67.9-11.6000111.3L179 V180 R185 V186 Q187L179-N183 VanDerWaalsContact O-CG 3.29Å; L179-N183 PolarHBondContact O-N 3.14Å; L179-N183 PolarHBondContact O-OD1 2.76Å; V180-N183 WeakPolarHBondContact O-CB 3.27Å; V180-N183 PolarHBondContact O-N 2.97Å; N183-R185 VanDerWaalsContact C-N 3.26Å; N183-R185 PolarHBondContact O-N 3Å; N183-V186 PolarHBondContact O-N 3.16Å; N183-Q187 WeakPolarHBondContact O-CB 3.42Å; N183-Q187 PolarHBondContact O-N 3.33Å
184D98.3Very high98Very high107 Ų10787 Ų8757%0.57248%0.481SS*.Hα-helixtrans-58-38.2175.4-65-28.8000111.9V180 G188V180-D184 VanDerWaalsContact O-CG 3.3Å; V180-D184 PolarHBondContact O-N 2.99Å; D184-G188 PolarHBondContact O-N 3.42Å
185R98.3Very high98.1Very high187 Ų18786.5 Ų86.571%0.70648%0.479SS*.Hα-helixtrans-69.9-44.7175.7-70.6168.5-177.6148.81.3112.2G181 S182 N183 Q187 G188 V189G181-R185 WeakPolarHBondContact O-CD 3.34Å; G181-R185 WeakPolarHBondContact O-CG 3.5Å; S182-R185 WeakPolarHBondContact O-CB 3.34Å; S182-R185 PolarHBondContact O-N 2.89Å; N183-R185 VanDerWaalsContact C-N 3.26Å; N183-R185 PolarHBondContact O-N 3Å; R185-Q187 VanDerWaalsContact C-N 3.32Å; R185-G188 PolarHBondContact O-N 3.36Å; R185-V189 PolarHBondContact O-N 3.09Å
186V98.3Very high98.1Very high80 Ų8088.5 Ų88.549%0.48549%0.485SS..Hα-helixtrans-62.1-42.5176.9172.30000110.4S182 N183 G188 V189 I190S182-V186 WeakPolarHBondContact O-CG2 3.42Å; S182-V186 PolarHBondContact O-N 2.84Å; N183-V186 PolarHBondContact O-N 3.16Å; V186-G188 VanDerWaalsContact C-N 3.32Å; V186-G188 PolarHBondContact O-N 3.37Å; V186-V189 PolarHBondContact O-N 2.85Å; V186-I190 HydrophobicContact CG1-CD1 3.94Å; V186-I190 HydrophobicContact CG1-CG1 4.48Å; V186-I190 WeakPolarHBondContact O-CG1 3.36Å; V186-I190 PolarHBondContact O-N 3.45Å
187Q98.4Very high98.2Very high107 Ų10786.9 Ų86.950%0.548%0.482SS..Hα-helixtrans-60.9-39.9174.2-170.861.954.600112N183 R185 I190 S191N183-Q187 WeakPolarHBondContact O-CB 3.42Å; N183-Q187 PolarHBondContact O-N 3.33Å; R185-Q187 VanDerWaalsContact C-N 3.32Å; Q187-I190 PolarHBondContact O-N 3.02Å; Q187-S191 PolarHBondContact O-N 2.66Å; Q187-S191 PolarHBondContact O-OG 2.9Å
188G98.6Very high98.2Very high34 Ų3488.7 Ų88.735%0.35148%0.478SS..Hα-helixtrans-61.8-40.1173.300000113.6D184 R185 V186 Q192D184-G188 PolarHBondContact O-N 3.42Å; R185-G188 PolarHBondContact O-N 3.36Å; V186-G188 VanDerWaalsContact C-N 3.32Å; V186-G188 PolarHBondContact O-N 3.37Å; G188-Q192 WeakPolarHBondContact O-CG 3.45Å; G188-Q192 PolarHBondContact O-N 3.48Å; G188-Q192 VanDerWaalsContact O-N 3.11Å
189V98.5Very high98.3Very high79 Ų7987 Ų8748%0.47947%0.474SS..Hα-helixtrans-68.3-41.5174.3174.60000111.2R185 V186 S191 Q192 L193R185-V189 PolarHBondContact O-N 3.09Å; V186-V189 PolarHBondContact O-N 2.85Å; V189-S191 PolarHBondContact O-N 2.97Å; V189-Q192 PolarHBondContact O-N 2.74Å; V189-L193 HydrophobicContact CG1-CD1 4.16Å; V189-L193 HydrophobicContact CG1-CG 4.49Å; V189-L193 WeakPolarHBondContact O-CG 3.49Å; V189-L193 PolarHBondContact O-N 3.33Å
190I98.3Very high98.3Very high69 Ų6986.9 Ų86.935%0.35447%0.473SS..Hα-helixtrans-57.1-49.4175.1-70.5166000110.2V186 Q187 Q192 L193 E194V186-I190 HydrophobicContact CG1-CD1 3.94Å; V186-I190 HydrophobicContact CG1-CG1 4.48Å; V186-I190 WeakPolarHBondContact O-CG1 3.36Å; V186-I190 PolarHBondContact O-N 3.45Å; Q187-I190 PolarHBondContact O-N 3.02Å; I190-Q192 VanDerWaalsContact C-N 3.33Å; I190-Q192 PolarHBondContact O-N 3.08Å; I190-L193 PolarHBondContact O-N 3.37Å; I190-L193 VanDerWaalsContact O-N 3.13Å; I190-E194 HydrophobicContact CG2-CG 4.32Å; I190-E194 WeakPolarHBondContact O-CG 3.46Å; I190-E194 PolarHBondContact O-N 2.97Å
191S98.6Very high98.3Very high44 Ų4489.9 Ų89.931%0.30848%0.482SS..Hα-helixtrans-65.8-31.1178.8-65.50000113.7Q187 V189 D195Q187-S191 PolarHBondContact O-N 2.66Å; Q187-S191 PolarHBondContact O-OG 2.9Å; V189-S191 PolarHBondContact O-N 2.97Å; S191-D195 WeakPolarHBondContact O-CB 3.41Å; S191-D195 PolarHBondContact O-N 2.82Å
192Q98.7Very high98.4Very high134 Ų13492 Ų9263%0.62649%0.486SS*.Hα-helixtrans-66.6-38.3171.2-74.3175.110.300112.5G188 V189 I190 T196G188-Q192 WeakPolarHBondContact O-CG 3.45Å; G188-Q192 PolarHBondContact O-N 3.48Å; G188-Q192 VanDerWaalsContact O-N 3.11Å; V189-Q192 PolarHBondContact O-N 2.74Å; I190-Q192 VanDerWaalsContact C-N 3.33Å; I190-Q192 PolarHBondContact O-N 3.08Å; Q192-T196 WeakPolarHBondContact O-CB 3.45Å; Q192-T196 PolarHBondContact O-N 2.74Å; Q192-T196 PolarHBondContact O-OG1 3.21Å
193L98.5Very high98.4Very high106 Ų10693.2 Ų93.256%0.55549%0.493SS*.Hα-helixtrans-69-43.4174.8-68.5171.7000111.1V189 I190 D195 T196 C197V189-L193 HydrophobicContact CG1-CD1 4.16Å; V189-L193 HydrophobicContact CG1-CG 4.49Å; V189-L193 WeakPolarHBondContact O-CG 3.49Å; V189-L193 PolarHBondContact O-N 3.33Å; I190-L193 PolarHBondContact O-N 3.37Å; I190-L193 VanDerWaalsContact O-N 3.13Å; L193-D195 VanDerWaalsContact C-N 3.34Å; L193-D195 PolarHBondContact O-N 3.49Å; L193-T196 WeakPolarHBondContact O-CB 3.47Å; L193-T196 PolarHBondContact O-N 3.42Å; L193-T196 VanDerWaalsContact O-N 3.14Å; L193-C197 PolarHBondContact O-N 3.37Å; L193-C197 PolarHBondContact O-SG 3.11Å; L193-C197 VanDerWaalsContact O-SG 3.36Å
194E98.5Very high98.4Very high89 Ų8990.7 Ų90.742%0.41648%0.483SS..Hα-helixtrans-57.1-45.3173.6-71.3172.6171.700111.8I190 T196 C197 K198I190-E194 HydrophobicContact CG2-CG 4.32Å; I190-E194 WeakPolarHBondContact O-CG 3.46Å; I190-E194 PolarHBondContact O-N 2.97Å; E194-T196 VanDerWaalsContact C-N 3.33Å; E194-C197 PolarHBondContact O-N 3.36Å; E194-K198 WeakPolarHBondContact O-CD 3.21Å; E194-K198 WeakPolarHBondContact O-CE 3.43Å; E194-K198 VanDerWaalsContact O-CG 3.27Å; E194-K198 WeakPolarHBondContact O-CG 3.38Å; E194-K198 PolarHBondContact O-N 3.36Å; E194-K198 VanDerWaalsContact O-N 3.08Å
195D98.7Very high98.4Very high89 Ų8991.3 Ų91.348%0.47648%0.477SS..Hα-helixtrans-68.4-31.6176.9-74.9-14.2000112.4S191 L193 K198 T199S191-D195 WeakPolarHBondContact O-CB 3.41Å; S191-D195 PolarHBondContact O-N 2.82Å; L193-D195 VanDerWaalsContact C-N 3.34Å; L193-D195 PolarHBondContact O-N 3.49Å; D195-K198 PolarHBondContact O-N 3.02Å; D195-K198 IonicContact OD1-NZ 2.71Å; D195-K198 PolarHBondContact OD1-NZ 3.13Å; D195-T199 WeakPolarHBondContact O-CG2 3.48Å; D195-T199 PolarHBondContact O-N 3.33Å; D195-T199 PolarHBondContact O-OG1 2.97Å
196T98.5Very high98.4Very high73 Ų7387.7 Ų87.745%0.44847%0.467SS..Hα-helixtrans-67.9-40.8172.6-56.70000111.6Q192 L193 E194 K198 T199 I200Q192-T196 WeakPolarHBondContact O-CB 3.45Å; Q192-T196 PolarHBondContact O-N 2.74Å; Q192-T196 PolarHBondContact O-OG1 3.21Å; L193-T196 WeakPolarHBondContact O-CB 3.47Å; L193-T196 PolarHBondContact O-N 3.42Å; L193-T196 VanDerWaalsContact O-N 3.14Å; E194-T196 VanDerWaalsContact C-N 3.33Å; T196-K198 PolarHBondContact O-N 3.02Å; T196-T199 PolarHBondContact O-N 3.02Å; T196-T199 PolarHBondContact O-OG1 3.37Å; T196-I200 HydrophobicContact CG2-CD1 4.02Å; T196-I200 VanDerWaalsContact O-CG1 3.31Å; T196-I200 WeakPolarHBondContact O-CG1 3.37Å; T196-I200 PolarHBondContact O-N 2.88Å
197C98.5Very high98.4Very high71 Ų7189.3 Ų89.348%0.4847%0.469SS..Hα-helixtrans-59.5-46.7172.2-66.80000111.3L193 E194 T199 I200 E201L193-C197 PolarHBondContact O-N 3.37Å; L193-C197 PolarHBondContact O-SG 3.11Å; L193-C197 VanDerWaalsContact O-SG 3.36Å; E194-C197 PolarHBondContact O-N 3.36Å; C197-T199 VanDerWaalsContact C-N 3.33Å; C197-T199 PolarHBondContact O-N 2.97Å; C197-I200 PolarHBondContact O-N 3.21Å; C197-E201 WeakPolarHBondContact O-CG 3.48Å; C197-E201 PolarHBondContact O-N 3.37Å
198K98.5Very high98.3Very high100 Ų10090.5 Ų90.544%0.43547%0.473SS..Hα-helixtrans-60.2-38.6177.9-66161.4-145.6157.70112.4E194 D195 T196 E202E194-K198 WeakPolarHBondContact O-CD 3.21Å; E194-K198 WeakPolarHBondContact O-CE 3.43Å; E194-K198 VanDerWaalsContact O-CG 3.27Å; E194-K198 WeakPolarHBondContact O-CG 3.38Å; E194-K198 PolarHBondContact O-N 3.36Å; E194-K198 VanDerWaalsContact O-N 3.08Å; D195-K198 PolarHBondContact O-N 3.02Å; D195-K198 IonicContact OD1-NZ 2.71Å; D195-K198 PolarHBondContact OD1-NZ 3.13Å; T196-K198 PolarHBondContact O-N 3.02Å; K198-E202 VanDerWaalsContact O-CB 3.29Å; K198-E202 WeakPolarHBondContact O-CB 3.4Å; K198-E202 PolarHBondContact O-N 2.88Å
199T98.4Very high98.3Very high91 Ų9193.3 Ų93.356%0.55848%0.476SS*.Hα-helixtrans-72.3-35.4177.256.50000112.4D195 T196 C197 C203D195-T199 WeakPolarHBondContact O-CG2 3.48Å; D195-T199 PolarHBondContact O-N 3.33Å; D195-T199 PolarHBondContact O-OG1 2.97Å; T196-T199 PolarHBondContact O-N 3.02Å; T196-T199 PolarHBondContact O-OG1 3.37Å; C197-T199 VanDerWaalsContact C-N 3.33Å; C197-T199 PolarHBondContact O-N 2.97Å; T199-C203 WeakPolarHBondContact O-CB 3.49Å; T199-C203 PolarHBondContact O-N 3.14Å
200I98.3Very high98.3Very high109 Ų10993.6 Ų93.656%0.55947%0.473SS*.Hα-helixtrans-65.4-45.2172.6-68166.1000110.9T196 C197 C203 C204T196-I200 HydrophobicContact CG2-CD1 4.02Å; T196-I200 VanDerWaalsContact O-CG1 3.31Å; T196-I200 WeakPolarHBondContact O-CG1 3.37Å; T196-I200 PolarHBondContact O-N 2.88Å; C197-I200 PolarHBondContact O-N 3.21Å; I200-C203 PolarHBondContact O-N 2.95Å; I200-C204 VanDerWaalsContact O-CB 3.24Å; I200-C204 WeakPolarHBondContact O-CB 3.31Å; I200-C204 PolarHBondContact O-N 2.66Å
201E98.3Very high98.2Very high135 Ų13593.4 Ų93.463%0.63147%0.472SS*.Hα-helixtrans-58.4-49.1175.5-74.5173.6173.300111.8C197 C203 C204 R205C197-E201 WeakPolarHBondContact O-CG 3.48Å; C197-E201 PolarHBondContact O-N 3.37Å; E201-C203 VanDerWaalsContact C-N 3.35Å; E201-C203 PolarHBondContact O-N 3.43Å; E201-C204 PolarHBondContact O-N 3.49Å; E201-R205 WeakPolarHBondContact O-CB 3.12Å; E201-R205 PolarHBondContact O-N 3.31Å
202E98.4Very high98.2Very high70 Ų7094.9 Ų94.933%0.32748%0.481SS..Hα-helixtrans-67.6-32.6179.1173.358.4-168.100112.6K198 R205 K206K198-E202 VanDerWaalsContact O-CB 3.29Å; K198-E202 WeakPolarHBondContact O-CB 3.4Å; K198-E202 PolarHBondContact O-N 2.88Å; E202-R205 VanDerWaalsContact CD-NH2 3.27Å; E202-R205 IonicContact OE1-CZ 2.66Å; E202-R205 IonicContact OE1-NH2 3.58Å; E202-R205 PolarHBondContact OE1-NH2 3Å; E202-R205 IonicContact OE2-CZ 2.64Å; E202-R205 VanDerWaalsContact OE2-CZ 3.28Å; E202-R205 IonicContact OE2-NE 3.1Å; E202-R205 PolarHBondContact OE2-NE 3.18Å; E202-R205 IonicContact OE2-NH2 2.65Å; E202-R205 PolarHBondContact OE2-NH2 3.42Å; E202-K206 WeakPolarHBondContact O-CG 3.28Å; E202-K206 PolarHBondContact O-N 2.89Å; E202-K206 VanDerWaalsContact O-N 3.09Å; E202-K206 VanDerWaalsContact OE1-CE 3.3Å; E202-K206 WeakPolarHBondContact OE1-CE 3.43Å; E202-K206 IonicContact OE1-NZ 3.86Å; E202-K206 PolarHBondContact OE1-NZ 3.45Å
203C98.1Very high98.2Very high77 Ų7793.5 Ų93.552%0.5248%0.475SS..Hα-helixtrans-68.9-47.7172.2-168.30000111.3T199 I200 E201 R205 K206 Q207T199-C203 WeakPolarHBondContact O-CB 3.49Å; T199-C203 PolarHBondContact O-N 3.14Å; I200-C203 PolarHBondContact O-N 2.95Å; E201-C203 VanDerWaalsContact C-N 3.35Å; E201-C203 PolarHBondContact O-N 3.43Å; C203-R205 VanDerWaalsContact C-N 3.3Å; C203-R205 PolarHBondContact O-N 3.08Å; C203-K206 WeakPolarHBondContact O-CB 3.45Å; C203-K206 PolarHBondContact O-N 2.85Å; C203-K206 VanDerWaalsContact O-N 3.16Å; C203-Q207 PolarHBondContact O-N 2.99Å
204C98.1Very high98.1Very high53 Ų5393.6 Ų93.636%0.35847%0.471SS..Hα-helixtrans-58-42.1174.9-174.60000111.6I200 E201 Q207 K208I200-C204 VanDerWaalsContact O-CB 3.24Å; I200-C204 WeakPolarHBondContact O-CB 3.31Å; I200-C204 PolarHBondContact O-N 2.66Å; E201-C204 PolarHBondContact O-N 3.49Å; C204-Q207 PolarHBondContact O-N 3.34Å; C204-K208 WeakPolarHBondContact O-CB 3.35Å; C204-K208 VanDerWaalsContact O-CG 3.3Å; C204-K208 WeakPolarHBondContact O-CG 3.34Å; C204-K208 PolarHBondContact O-N 3.04Å; C204-K208 VanDerWaalsContact SG-CE 3.51Å; C204-K208 PolarHBondContact SG-NZ 3.25Å; C204-K208 VanDerWaalsContact SG-NZ 3.37Å
205R98.4Very high98Very high120 Ų12092.7 Ų92.745%0.45347%0.466SS..Hα-helixtrans-61.7-45.1175.5-168.1-16765.2682.1111.7E201 E202 C203 Q209E201-R205 WeakPolarHBondContact O-CB 3.12Å; E201-R205 PolarHBondContact O-N 3.31Å; E202-R205 VanDerWaalsContact CD-NH2 3.27Å; E202-R205 IonicContact OE1-CZ 2.66Å; E202-R205 IonicContact OE1-NH2 3.58Å; E202-R205 PolarHBondContact OE1-NH2 3Å; E202-R205 IonicContact OE2-CZ 2.64Å; E202-R205 VanDerWaalsContact OE2-CZ 3.28Å; E202-R205 IonicContact OE2-NE 3.1Å; E202-R205 PolarHBondContact OE2-NE 3.18Å; E202-R205 IonicContact OE2-NH2 2.65Å; E202-R205 PolarHBondContact OE2-NH2 3.42Å; C203-R205 VanDerWaalsContact C-N 3.3Å; C203-R205 PolarHBondContact O-N 3.08Å; R205-Q209 WeakPolarHBondContact O-CB 3.21Å; R205-Q209 PolarHBondContact O-N 3.04Å
206K98.1Very high98Very high112 Ų11293.2 Ų93.249%0.48747%0.469SS..Hα-helixtrans-62.6-46.2175.2-78.1170.4166.91170112.2E202 C203 K208 Q209 E210E202-K206 WeakPolarHBondContact O-CG 3.28Å; E202-K206 PolarHBondContact O-N 2.89Å; E202-K206 VanDerWaalsContact O-N 3.09Å; E202-K206 VanDerWaalsContact OE1-CE 3.3Å; E202-K206 WeakPolarHBondContact OE1-CE 3.43Å; E202-K206 IonicContact OE1-NZ 3.86Å; E202-K206 PolarHBondContact OE1-NZ 3.45Å; C203-K206 WeakPolarHBondContact O-CB 3.45Å; C203-K206 PolarHBondContact O-N 2.85Å; C203-K206 VanDerWaalsContact O-N 3.16Å; K206-K208 VanDerWaalsContact C-N 3.35Å; K206-K208 PolarHBondContact O-N 3.27Å; K206-Q209 WeakPolarHBondContact O-CB 3.45Å; K206-Q209 PolarHBondContact O-N 3.19Å; K206-Q209 VanDerWaalsContact O-N 3.14Å; K206-E210 PolarHBondContact O-N 3.43Å
207Q97.2Very high98Very high113 Ų11397.5 Ų97.553%0.52848%0.478SS..Hα-helixtrans-66.5-37.3-178.1-154.66422.600112.3C203 C204 L211C203-Q207 PolarHBondContact O-N 2.99Å; C204-Q207 PolarHBondContact O-N 3.34Å; Q207-L211 WeakPolarHBondContact O-CB 3.16Å; Q207-L211 PolarHBondContact O-N 2.97Å
208K97.6Very high97.9Very high133 Ų13397.5 Ų97.558%0.57847%0.472SS*.Hα-helixtrans-62.8-43.1170.5-74.9168.8176.4168.80111.9C204 K206 L211 C212C204-K208 WeakPolarHBondContact O-CB 3.35Å; C204-K208 VanDerWaalsContact O-CG 3.3Å; C204-K208 WeakPolarHBondContact O-CG 3.34Å; C204-K208 PolarHBondContact O-N 3.04Å; C204-K208 VanDerWaalsContact SG-CE 3.51Å; C204-K208 PolarHBondContact SG-NZ 3.25Å; C204-K208 VanDerWaalsContact SG-NZ 3.37Å; K206-K208 VanDerWaalsContact C-N 3.35Å; K206-K208 PolarHBondContact O-N 3.27Å; K208-L211 PolarHBondContact O-N 3.11Å; K208-C212 PolarHBondContact O-N 3.36Å; K208-C212 VanDerWaalsContact O-N 3.08Å; K208-C212 PolarHBondContact O-SG 3.39Å; K208-C212 VanDerWaalsContact O-SG 3.33Å
209Q98.4Very high97.9Very high92 Ų9299.9 Ų99.943%0.4348%0.48SS..Hα-helixtrans-62.4-48.9176.9-174.6-173.7-31.500111.5R205 K206 L211 C212 E213R205-Q209 WeakPolarHBondContact O-CB 3.21Å; R205-Q209 PolarHBondContact O-N 3.04Å; K206-Q209 WeakPolarHBondContact O-CB 3.45Å; K206-Q209 PolarHBondContact O-N 3.19Å; K206-Q209 VanDerWaalsContact O-N 3.14Å; Q209-L211 VanDerWaalsContact C-N 3.29Å; Q209-L211 PolarHBondContact O-N 3.34Å; Q209-C212 PolarHBondContact O-N 2.89Å; Q209-E213 WeakPolarHBondContact CG-OE1 3.39Å; Q209-E213 PolarHBondContact NE2-OE1 2.81Å; Q209-E213 WeakPolarHBondContact O-CG 3.29Å; Q209-E213 PolarHBondContact O-N 3.36Å
210E97.5Very high97.9Very high85 Ų8597.4 Ų97.440%0.39747%0.473SS..Hα-helixtrans-60.9-39178176.3166.1-158.900111.8K206 E213 K214K206-E210 PolarHBondContact O-N 3.43Å; E210-E213 PolarHBondContact O-N 3.35Å; E210-K214 VanDerWaalsContact CG-CE 3.44Å; E210-K214 WeakPolarHBondContact O-CG 3.31Å; E210-K214 PolarHBondContact O-N 3.23Å; E210-K214 WeakPolarHBondContact OE1-CE 3.33Å; E210-K214 IonicContact OE1-NZ 3.84Å; E210-K214 PolarHBondContact OE1-NZ 3.49Å
211L96.9Very high97.8Very high66 Ų6695.8 Ų95.835%0.34646%0.464SS..Hα-helixtrans-60.2-47.6175.5-17467.3000111.7Q207 K208 Q209 E213 K214 F215 F326Q207-L211 WeakPolarHBondContact O-CB 3.16Å; Q207-L211 PolarHBondContact O-N 2.97Å; K208-L211 PolarHBondContact O-N 3.11Å; Q209-L211 VanDerWaalsContact C-N 3.29Å; Q209-L211 PolarHBondContact O-N 3.34Å; L211-E213 PolarHBondContact O-N 3.45Å; L211-K214 PolarHBondContact O-N 3.37Å; L211-F215 HydrophobicContact CD1-CD2 4.24Å; L211-F215 HydrophobicContact CD1-CE2 3.89Å; L211-F215 HydrophobicContact CG-CD2 4.23Å; L211-F215 HydrophobicContact CG-CE2 4.21Å; L211-F215 WeakPolarHBondContact O-CD2 3.43Å; L211-F215 PolarHBondContact O-N 3.08Å; L211-F326 HydrophobicContact CD1-CE1 4.05Å; L211-F326 HydrophobicContact CD1-CZ 4.42Å; L211-F326 HydrophobicContact CD2-CE1 4.02Å; L211-F326 HydrophobicContact CD2-CZ 3.72Å
212C97.9Very high97.7Very high74 Ų7493.4 Ų93.450%0.546%0.456SS..Hα-helixtrans-57.7-47.6174-66.20000111.1K208 Q209 K214 F215 D216K208-C212 PolarHBondContact O-N 3.36Å; K208-C212 VanDerWaalsContact O-N 3.08Å; K208-C212 PolarHBondContact O-SG 3.39Å; K208-C212 VanDerWaalsContact O-SG 3.33Å; Q209-C212 PolarHBondContact O-N 2.89Å; C212-K214 PolarHBondContact O-N 3.4Å; C212-F215 CarbonylContact O-C 3.53Å; C212-F215 PolarHBondContact O-N 2.94Å; C212-D216 PolarHBondContact O-N 3.39Å
213E98.3Very high97.7Very high106 Ų10693.9 Ų93.950%0.49546%0.458SS..Hα-helixtrans-58.9-31.5179-70.8173.8-164.800113Q209 E210 L211 Y217Q209-E213 WeakPolarHBondContact CG-OE1 3.39Å; Q209-E213 PolarHBondContact NE2-OE1 2.81Å; Q209-E213 WeakPolarHBondContact O-CG 3.29Å; Q209-E213 PolarHBondContact O-N 3.36Å; E210-E213 PolarHBondContact O-N 3.35Å; L211-E213 PolarHBondContact O-N 3.45Å; E213-Y217 WeakPolarHBondContact O-CB 3.16Å; E213-Y217 PolarHBondContact O-N 3.04Å
214K96.8Very high97.7Very high108 Ų10896.5 Ų96.547%0.4746%0.462SS..Hα-helixtrans-69.5-42.9171.4-52.3-46176.6-170.60112.3E210 L211 C212 Y217 L218E210-K214 VanDerWaalsContact CG-CE 3.44Å; E210-K214 WeakPolarHBondContact O-CG 3.31Å; E210-K214 PolarHBondContact O-N 3.23Å; E210-K214 WeakPolarHBondContact OE1-CE 3.33Å; E210-K214 IonicContact OE1-NZ 3.84Å; E210-K214 PolarHBondContact OE1-NZ 3.49Å; L211-K214 PolarHBondContact O-N 3.37Å; C212-K214 PolarHBondContact O-N 3.4Å; K214-Y217 PolarHBondContact O-N 3.2Å; K214-L218 PolarHBondContact O-N 3.05Å
215F97.5Very high97.7Very high70 Ų70100.6 Ų100.631%0.30747%0.47SS..Hα-helixtrans-70.6-39.8-179.9-84.1-74.9000112L211 C212 Y217 L218 Y219 I324L211-F215 HydrophobicContact CD1-CD2 4.24Å; L211-F215 HydrophobicContact CD1-CE2 3.89Å; L211-F215 HydrophobicContact CG-CD2 4.23Å; L211-F215 HydrophobicContact CG-CE2 4.21Å; L211-F215 WeakPolarHBondContact O-CD2 3.43Å; L211-F215 PolarHBondContact O-N 3.08Å; C212-F215 CarbonylContact O-C 3.53Å; C212-F215 PolarHBondContact O-N 2.94Å; F215-Y217 VanDerWaalsContact C-N 3.28Å; F215-Y217 PolarHBondContact O-N 2.9Å; F215-L218 HydrophobicContact CD1-CD1 4.42Å; F215-L218 CarbonylContact O-C 3.57Å; F215-L218 WeakPolarHBondContact O-CB 3.31Å; F215-L218 PolarHBondContact O-N 2.91Å; F215-Y219 HydrophobicContact CB-CE2 4.18Å; F215-Y219 WeakPolarHBondContact O-CD2 3.47Å; F215-Y219 PolarHBondContact O-N 3.16Å; F215-I324 HydrophobicContact CE1-CD1 4.31Å; F215-I324 HydrophobicContact CZ-CG2 4.01Å
216D98.2Very high97.7Very high100 Ų10099.8 Ų99.854%0.53547%0.47SS..Hα-helixtrans-61-37174.2-67.9-28.3000111.8C212 Y219 G220C212-D216 PolarHBondContact O-N 3.39Å; D216-Y219 PolarHBondContact O-N 3.24Å; D216-G220 PolarHBondContact O-N 3.15Å
217Y98Very high97.7Very high162 Ų16298.2 Ų98.264%0.63547%0.467SS*.Hα-helixtrans-63.8-41.5171.4178.2-110.3000112.7E213 K214 F215 G220 I221E213-Y217 WeakPolarHBondContact O-CB 3.16Å; E213-Y217 PolarHBondContact O-N 3.04Å; K214-Y217 PolarHBondContact O-N 3.2Å; F215-Y217 VanDerWaalsContact C-N 3.28Å; F215-Y217 PolarHBondContact O-N 2.9Å; Y217-G220 PolarHBondContact O-N 3.04Å; Y217-I221 HydrophobicContact CD1-CD1 4.17Å; Y217-I221 HydrophobicContact CE1-CD1 3.65Å; Y217-I221 HydrophobicContact CE2-CD1 4.32Å; Y217-I221 PolarHBondContact O-N 2.83Å; Y217-I221 VanDerWaalsContact O-N 3.17Å
218L97.1Very high97.7Very high71 Ų7197.4 Ų97.437%0.37246%0.463SS..Hα-helixtrans-66.5-41.7174.5-68.8173.9000112.1K214 F215 G220 I221 L222 I324K214-L218 PolarHBondContact O-N 3.05Å; F215-L218 HydrophobicContact CD1-CD1 4.42Å; F215-L218 CarbonylContact O-C 3.57Å; F215-L218 WeakPolarHBondContact O-CB 3.31Å; F215-L218 PolarHBondContact O-N 2.91Å; L218-G220 VanDerWaalsContact C-N 3.3Å; L218-G220 PolarHBondContact O-N 3.3Å; L218-I221 PolarHBondContact O-N 3.24Å; L218-L222 WeakPolarHBondContact O-CG 3.41Å; L218-L222 PolarHBondContact O-N 3.25Å; L218-I324 HydrophobicContact CD1-CD1 4.12Å
219Y97.6Very high97.7Very high150 Ų15094.3 Ų94.359%0.58845%0.452SS*.Hα-helixtrans-60.6-40.2173.1-69.9-52.6000111.5F215 D216 I221 L222 E223F215-Y219 HydrophobicContact CB-CE2 4.18Å; F215-Y219 WeakPolarHBondContact O-CD2 3.47Å; F215-Y219 PolarHBondContact O-N 3.16Å; D216-Y219 PolarHBondContact O-N 3.24Å; Y219-I221 PolarHBondContact O-N 3.3Å; Y219-L222 PolarHBondContact O-N 2.94Å; Y219-E223 VanDerWaalsContact O-CB 3.28Å; Y219-E223 WeakPolarHBondContact O-CB 3.46Å; Y219-E223 PolarHBondContact O-N 2.95Å
220G98.3Very high97.7Very high40 Ų4093.1 Ų93.141%0.41245%0.451SS..Hα-helixtrans-56.9-47.3174.200000113D216 Y217 L218 E223 E224D216-G220 PolarHBondContact O-N 3.15Å; Y217-G220 PolarHBondContact O-N 3.04Å; L218-G220 VanDerWaalsContact C-N 3.3Å; L218-G220 PolarHBondContact O-N 3.3Å; G220-E223 PolarHBondContact O-N 3.39Å; G220-E224 WeakPolarHBondContact O-CB 3.48Å; G220-E224 PolarHBondContact O-N 3.49Å
221I97.6Very high97.7Very high74 Ų7496 Ų9638%0.37946%0.464SS..Hα-helixtrans-63.7-43.7176.8-66.2166.4000111.4Y217 L218 Y219 R225Y217-I221 HydrophobicContact CD1-CD1 4.17Å; Y217-I221 HydrophobicContact CE1-CD1 3.65Å; Y217-I221 HydrophobicContact CE2-CD1 4.32Å; Y217-I221 PolarHBondContact O-N 2.83Å; Y217-I221 VanDerWaalsContact O-N 3.17Å; L218-I221 PolarHBondContact O-N 3.24Å; Y219-I221 PolarHBondContact O-N 3.3Å; I221-R225 VanDerWaalsContact O-CB 3.29Å; I221-R225 WeakPolarHBondContact O-CB 3.42Å; I221-R225 PolarHBondContact O-N 3.46Å
222L96.7Very high97.7Very high86 Ų8696.6 Ų96.645%0.4547%0.471SS..Hα-helixtrans-64.8-40.7179.5-70.8170.4000111.7L218 Y219 K226 I321L218-L222 WeakPolarHBondContact O-CG 3.41Å; L218-L222 PolarHBondContact O-N 3.25Å; Y219-L222 PolarHBondContact O-N 2.94Å; L222-K226 VanDerWaalsContact O-CB 3.26Å; L222-K226 WeakPolarHBondContact O-CB 3.2Å; L222-K226 PolarHBondContact O-N 2.98Å; L222-I321 HydrophobicContact CD1-CD1 4.17Å
223E98.2Very high97.7Very high79 Ų7996 Ų9637%0.36946%0.461SS..Hα-helixtrans-73-40.2179.1-173.155.1-143.600112Y219 G220 K226 N227Y219-E223 VanDerWaalsContact O-CB 3.28Å; Y219-E223 WeakPolarHBondContact O-CB 3.46Å; Y219-E223 PolarHBondContact O-N 2.95Å; G220-E223 PolarHBondContact O-N 3.39Å; E223-K226 PolarHBondContact O-N 2.95Å; E223-K226 IonicContact OE1-NZ 2.83Å; E223-K226 PolarHBondContact OE1-NZ 2.92Å; E223-K226 IonicContact OE2-NZ 3.64Å; E223-K226 PolarHBondContact OE2-NZ 3.26Å; E223-N227 WeakPolarHBondContact O-CB 3.23Å; E223-N227 PolarHBondContact O-N 3.22Å; E223-N227 PolarHBondContact O-ND2 3.43Å; E223-N227 PolarHBondContact OE1-ND2 3.37Å
224E98.3Very high97.7Very high133 Ų13394.7 Ų94.762%0.62146%0.461SS*.Hα-helixtrans-56-51.6169.8179.6173.1-137.700110.3G220 K226 N227 E228G220-E224 WeakPolarHBondContact O-CB 3.48Å; G220-E224 PolarHBondContact O-N 3.49Å; E224-K226 VanDerWaalsContact C-N 3.34Å; E224-K226 PolarHBondContact O-N 3.44Å; E224-N227 PolarHBondContact O-N 2.96Å; E224-N227 VanDerWaalsContact O-N 3.08Å; E224-E228 PolarHBondContact O-N 3.48Å
225R97.3Very high97.7Very high138 Ų13897.6 Ų97.652%0.52147%0.469SS..Hα-helixtrans-65.3-35.2-177.8-173.957.6-173.8151.97.9113.2I221 E228 M229I221-R225 VanDerWaalsContact O-CB 3.29Å; I221-R225 WeakPolarHBondContact O-CB 3.42Å; I221-R225 PolarHBondContact O-N 3.46Å; R225-E228 WeakPolarHBondContact CD-OE2 3.39Å; R225-E228 IonicContact CZ-OE2 2.61Å; R225-E228 IonicContact NE-OE2 3.61Å; R225-E228 IonicContact NH1-OE2 2.71Å; R225-E228 PolarHBondContact NH1-OE2 3.25Å; R225-M229 PolarHBondContact O-N 2.88Å
226K97.4Very high97.6Very high103 Ų10395.6 Ų95.645%0.44846%0.463SS..Hα-helixtrans-61.3-47.9170.1162.2167.6159.8-88.40110.9L222 E223 E224 M229 T230L222-K226 VanDerWaalsContact O-CB 3.26Å; L222-K226 WeakPolarHBondContact O-CB 3.2Å; L222-K226 PolarHBondContact O-N 2.98Å; E223-K226 PolarHBondContact O-N 2.95Å; E223-K226 IonicContact OE1-NZ 2.83Å; E223-K226 PolarHBondContact OE1-NZ 2.92Å; E223-K226 IonicContact OE2-NZ 3.64Å; E223-K226 PolarHBondContact OE2-NZ 3.26Å; E224-K226 VanDerWaalsContact C-N 3.34Å; E224-K226 PolarHBondContact O-N 3.44Å; K226-M229 PolarHBondContact O-N 2.94Å; K226-T230 WeakPolarHBondContact O-CB 3.44Å; K226-T230 PolarHBondContact O-N 3.02Å; K226-T230 PolarHBondContact O-OG1 3.22Å; K226-T230 VanDerWaalsContact O-OG1 3.05Å
227N98.4Very high97.5Very high79 Ų7995.5 Ų95.542%0.42246%0.459SS..Hα-helixtrans-68.6-38-178.8-74.3-52000113.5E223 E224 M229 T230 Q231E223-N227 WeakPolarHBondContact O-CB 3.23Å; E223-N227 PolarHBondContact O-N 3.22Å; E223-N227 PolarHBondContact O-ND2 3.43Å; E223-N227 PolarHBondContact OE1-ND2 3.37Å; E224-N227 PolarHBondContact O-N 2.96Å; E224-N227 VanDerWaalsContact O-N 3.08Å; N227-M229 VanDerWaalsContact C-N 3.34Å; N227-M229 PolarHBondContact O-N 2.94Å; N227-T230 PolarHBondContact O-N 2.8Å; N227-Q231 WeakPolarHBondContact O-CB 3.11Å; N227-Q231 PolarHBondContact O-N 2.92Å
228E97.9Very high97.4Very high96 Ų9689.4 Ų89.445%0.44945%0.445SS..Hα-helixtrans-54.1-51.1169.8-72-171.5127.300111.3E224 R225 Q231 V232E224-E228 PolarHBondContact O-N 3.48Å; R225-E228 WeakPolarHBondContact CD-OE2 3.39Å; R225-E228 IonicContact CZ-OE2 2.61Å; R225-E228 IonicContact NE-OE2 3.61Å; R225-E228 IonicContact NH1-OE2 2.71Å; R225-E228 PolarHBondContact NH1-OE2 3.25Å; E228-Q231 WeakPolarHBondContact O-CB 3.28Å; E228-Q231 PolarHBondContact O-N 3Å; E228-V232 PolarHBondContact O-N 3.44Å; E228-V232 VanDerWaalsContact O-N 3.08Å
229M97.3Very high97.3Very high68 Ų6890 Ų9034%0.33545%0.446SS..Hα-helixtrans-67.2-39.9-176.9-174.1167.259.300111.9R225 K226 N227 Q231 V232 I233 V312R225-M229 PolarHBondContact O-N 2.88Å; K226-M229 PolarHBondContact O-N 2.94Å; N227-M229 VanDerWaalsContact C-N 3.34Å; N227-M229 PolarHBondContact O-N 2.94Å; M229-Q231 VanDerWaalsContact C-N 3.34Å; M229-V232 PolarHBondContact O-N 3.02Å; M229-I233 WeakPolarHBondContact O-CG1 3.28Å; M229-I233 PolarHBondContact O-N 3.07Å; M229-V312 HydrophobicContact CE-CG1 4.15Å; M229-V312 HydrophobicContact CE-CG2 3.77Å; M229-V312 HydrophobicContact SD-CG1 4.25Å; M229-V312 HydrophobicContact SD-CG2 3.54Å; M229-V312 VanDerWaalsContact SD-CG2 3.54Å
230T98.1Very high97.1Very high68 Ų6884.4 Ų84.442%0.41743%0.425SS..Hα-helixtrans-61.4-41.7171.7-61.70000111.4K226 N227 V232 I233 T234K226-T230 WeakPolarHBondContact O-CB 3.44Å; K226-T230 PolarHBondContact O-N 3.02Å; K226-T230 PolarHBondContact O-OG1 3.22Å; K226-T230 VanDerWaalsContact O-OG1 3.05Å; N227-T230 PolarHBondContact O-N 2.8Å; T230-V232 VanDerWaalsContact C-N 3.34Å; T230-V232 PolarHBondContact O-N 3.11Å; T230-I233 PolarHBondContact O-N 3.03Å; T230-T234 PolarHBondContact O-N 3.5Å; T230-T234 PolarHBondContact O-OG1 2.9Å
231Q98.3Very high97Very high146 Ų14685.9 Ų85.968%0.68242%0.423SS*.Hα-helixtrans-63-37.5177.9-172.3-179.191.900112.3N227 E228 M229 T234 R235N227-Q231 WeakPolarHBondContact O-CB 3.11Å; N227-Q231 PolarHBondContact O-N 2.92Å; E228-Q231 WeakPolarHBondContact O-CB 3.28Å; E228-Q231 PolarHBondContact O-N 3Å; M229-Q231 VanDerWaalsContact C-N 3.34Å; Q231-T234 PolarHBondContact O-N 2.71Å; Q231-R235 VanDerWaalsContact O-CB 3.3Å; Q231-R235 WeakPolarHBondContact O-CB 3.4Å; Q231-R235 PolarHBondContact O-N 3.05Å
232V97.4Very high96.8Very high78 Ų7889 Ų8947%0.47344%0.435SS..Hα-helixtrans-61.4-47.4172.8175.30000111E228 M229 T230 T234 R235 T236 F310E228-V232 PolarHBondContact O-N 3.44Å; E228-V232 VanDerWaalsContact O-N 3.08Å; M229-V232 PolarHBondContact O-N 3.02Å; T230-V232 VanDerWaalsContact C-N 3.34Å; T230-V232 PolarHBondContact O-N 3.11Å; V232-T234 PolarHBondContact O-N 3.41Å; V232-R235 PolarHBondContact O-N 2.75Å; V232-T236 PolarHBondContact O-N 3.5Å; V232-T236 PolarHBondContact O-OG1 3.04Å; V232-F310 HydrophobicContact CG1-CE1 3.97Å; V232-F310 HydrophobicContact CG1-CZ 4.39Å
233I96.9Very high96.6Very high60 Ų6087.8 Ų87.831%0.30843%0.427SS..Hα-helixtrans-59.6-48.6177.3-63.9168.9000110.6M229 T230 R235 T236 Q237 M307 F310M229-I233 WeakPolarHBondContact O-CG1 3.28Å; M229-I233 PolarHBondContact O-N 3.07Å; T230-I233 PolarHBondContact O-N 3.03Å; I233-R235 PolarHBondContact O-N 2.84Å; I233-T236 PolarHBondContact O-N 3.22Å; I233-Q237 WeakPolarHBondContact O-CB 3.3Å; I233-Q237 PolarHBondContact O-N 2.81Å; I233-M307 HydrophobicContact CG2-CE 3.97Å; I233-M307 WeakPolarHBondContact O-CE 3.37Å; I233-F310 HydrophobicContact CD1-CB 4.19Å; I233-F310 HydrophobicContact CD1-CD1 4.41Å; I233-F310 HydrophobicContact CD1-CG 4.2Å; I233-F310 HydrophobicContact CG1-CB 4.22Å; I233-F310 HydrophobicContact CG1-CD1 3.7Å; I233-F310 HydrophobicContact CG1-CD2 3.93Å; I233-F310 HydrophobicContact CG1-CE1 3.98Å; I233-F310 HydrophobicContact CG1-CE2 4.21Å; I233-F310 HydrophobicContact CG1-CG 3.67Å; I233-F310 HydrophobicContact CG1-CZ 4.23Å; I233-F310 HydrophobicContact CG2-CD2 4.44Å
234T97.7Very high96.3Very high79 Ų7986 Ų8649%0.48542%0.422SS..Hα-helixtrans-62.2-40.1179-56.10000112T230 Q231 V232 Q237 G238T230-T234 PolarHBondContact O-N 3.5Å; T230-T234 PolarHBondContact O-OG1 2.9Å; Q231-T234 PolarHBondContact O-N 2.71Å; V232-T234 PolarHBondContact O-N 3.41Å; T234-Q237 PolarHBondContact O-N 2.85Å; T234-G238 PolarHBondContact O-N 3.11Å
235R97.6Very high96.1Very high170 Ų17087 Ų8764%0.64242%0.42SS*.Hα-helixtrans-61.7-52.8175179.1-176168.3121.814.5111Q231 V232 I233 Q237 G238 E239Q231-R235 VanDerWaalsContact O-CB 3.3Å; Q231-R235 WeakPolarHBondContact O-CB 3.4Å; Q231-R235 PolarHBondContact O-N 3.05Å; V232-R235 PolarHBondContact O-N 2.75Å; I233-R235 PolarHBondContact O-N 2.84Å; R235-Q237 VanDerWaalsContact C-N 3.27Å; R235-Q237 PolarHBondContact O-N 3.03Å; R235-G238 WeakPolarHBondContact O-CA 3.34Å; R235-G238 PolarHBondContact O-N 2.96Å; R235-E239 HydrophobicContact CG-CG 4.45Å; R235-E239 IonicContact CZ-OE1 2.65Å; R235-E239 IonicContact NE-OE1 3.13Å; R235-E239 PolarHBondContact NE-OE1 2.97Å; R235-E239 IonicContact NE-OE2 2.92Å; R235-E239 IonicContact NH2-OE1 3.63Å; R235-E239 PolarHBondContact NH2-OE1 3.26Å; R235-E239 WeakPolarHBondContact O-CG 3.38Å; R235-E239 PolarHBondContact O-N 3.44Å
236T95.7Very high95.9Very high28 Ų2883.2 Ų83.217%0.17242%0.419CS..Hα-helixtrans-63.1-34.1179.9-62.20000112V232 I233 K240 M307 F310V232-T236 PolarHBondContact O-N 3.5Å; V232-T236 PolarHBondContact O-OG1 3.04Å; I233-T236 PolarHBondContact O-N 3.22Å; T236-K240 HydrophobicContact CG2-CD 4.24Å; T236-K240 WeakPolarHBondContact O-CB 3.17Å; T236-K240 VanDerWaalsContact O-CG 3.29Å; T236-K240 WeakPolarHBondContact O-CG 3.47Å; T236-K240 PolarHBondContact O-N 3.48Å; T236-M307 HydrophobicContact CG2-CE 4.18Å; T236-M307 HydrophobicContact CG2-SD 4.1Å; T236-F310 HydrophobicContact CG2-CE2 4.17Å; T236-F310 HydrophobicContact CG2-CZ 4.12Å
237Q95.9Very high95.6Very high98 Ų9879.1 Ų79.146%0.45840%0.401SS..Hα-helixtrans-62.4-45.1170.5-169.5-172.613.500111.4I233 T234 R235 K240 L241 M307I233-Q237 WeakPolarHBondContact O-CB 3.3Å; I233-Q237 PolarHBondContact O-N 2.81Å; T234-Q237 PolarHBondContact O-N 2.85Å; R235-Q237 VanDerWaalsContact C-N 3.27Å; R235-Q237 PolarHBondContact O-N 3.03Å; Q237-K240 PolarHBondContact O-N 2.9Å; Q237-L241 HydrophobicContact CG-CD1 3.96Å; Q237-L241 HydrophobicContact CG-CG 4.48Å; Q237-L241 WeakPolarHBondContact O-CB 3.24Å; Q237-L241 VanDerWaalsContact O-CG 3.26Å; Q237-L241 WeakPolarHBondContact O-CG 3.44Å; Q237-L241 PolarHBondContact O-N 3.37Å; Q237-M307 HydrophobicContact CB-CE 3.93Å
238G95.9Very high95.3Very high33 Ų3380.5 Ų80.534%0.3441%0.408SS..Hα-helixtrans-58.7-53.1176.500000112.5T234 R235 K240 L241 E242T234-G238 PolarHBondContact O-N 3.11Å; R235-G238 WeakPolarHBondContact O-CA 3.34Å; R235-G238 PolarHBondContact O-N 2.96Å; G238-K240 VanDerWaalsContact C-N 3.34Å; G238-K240 PolarHBondContact O-N 3.47Å; G238-L241 PolarHBondContact O-N 2.86Å; G238-E242 WeakPolarHBondContact O-CB 3.49Å; G238-E242 PolarHBondContact O-N 2.83Å
239E94.8Very high95.2Very high84 Ų8482.1 Ų82.139%0.39341%0.413SS..Hα-helixtrans-57-44.4178.4-69.5168.2156.200111.8R235 E242 H243R235-E239 HydrophobicContact CG-CG 4.45Å; R235-E239 IonicContact CZ-OE1 2.65Å; R235-E239 IonicContact NE-OE1 3.13Å; R235-E239 PolarHBondContact NE-OE1 2.97Å; R235-E239 IonicContact NE-OE2 2.92Å; R235-E239 IonicContact NH2-OE1 3.63Å; R235-E239 PolarHBondContact NH2-OE1 3.26Å; R235-E239 WeakPolarHBondContact O-CG 3.38Å; R235-E239 PolarHBondContact O-N 3.44Å; E239-E242 PolarHBondContact O-N 3.27Å; E239-H243 PolarHBondContact O-N 2.82Å; E239-H243 VanDerWaalsContact O-N 3.12Å
240K94.3Very high94.9Very high33 Ų3384.1 Ų84.114%0.14342%0.42CS..Hα-helixtrans-67.8-43.3178.2-71.3-179.7-176.4-164.10112.9T236 Q237 G238 E242 H243 V244 G303 Y304 N306 M307T236-K240 HydrophobicContact CG2-CD 4.24Å; T236-K240 WeakPolarHBondContact O-CB 3.17Å; T236-K240 VanDerWaalsContact O-CG 3.29Å; T236-K240 WeakPolarHBondContact O-CG 3.47Å; T236-K240 PolarHBondContact O-N 3.48Å; Q237-K240 PolarHBondContact O-N 2.9Å; G238-K240 VanDerWaalsContact C-N 3.34Å; G238-K240 PolarHBondContact O-N 3.47Å; K240-E242 VanDerWaalsContact C-N 3.33Å; K240-H243 PolarHBondContact O-N 2.82Å; K240-V244 WeakPolarHBondContact O-CG2 3.47Å; K240-V244 PolarHBondContact O-N 2.99Å; K240-V244 VanDerWaalsContact O-N 3.11Å; K240-G303 WeakPolarHBondContact CE-O 3.49Å; K240-G303 PolarHBondContact NZ-O 2.86Å; K240-Y304 HydrophobicContact CB-CD1 3.89Å; K240-Y304 HydrophobicContact CB-CE1 4.48Å; K240-Y304 HydrophobicContact CG-CD1 3.73Å; K240-Y304 HydrophobicContact CG-CE1 4.14Å; K240-Y304 HydrophobicContact CG-CG 4.35Å; K240-N306 PolarHBondContact NZ-O 3.5Å; K240-M307 HydrophobicContact CD-SD 3.84Å
241L94.9Very high94.4Very high71 Ų7183.6 Ų83.637%0.37241%0.411SS..Hα-helixtrans-67-34.2176.9-72.6174.6000112.1Q237 G238 R245Q237-L241 HydrophobicContact CG-CD1 3.96Å; Q237-L241 HydrophobicContact CG-CG 4.48Å; Q237-L241 WeakPolarHBondContact O-CB 3.24Å; Q237-L241 VanDerWaalsContact O-CG 3.26Å; Q237-L241 WeakPolarHBondContact O-CG 3.44Å; Q237-L241 PolarHBondContact O-N 3.37Å; G238-L241 PolarHBondContact O-N 2.86Å; L241-R245 VanDerWaalsContact O-CB 3.31Å; L241-R245 WeakPolarHBondContact O-CB 3.23Å; L241-R245 VanDerWaalsContact O-CD 3.29Å; L241-R245 WeakPolarHBondContact O-CD 3.22Å; L241-R245 WeakPolarHBondContact O-CG 3.49Å; L241-R245 PolarHBondContact O-N 3.1Å
242E94.9Very high94.2Very high138 Ų13879.8 Ų79.865%0.64540%0.401SS*.Hα-helixtrans-64.9-47.2175.1-176.5164.9-148.500111.6G238 E239 K240 V244 R245 A246G238-E242 WeakPolarHBondContact O-CB 3.49Å; G238-E242 PolarHBondContact O-N 2.83Å; E239-E242 PolarHBondContact O-N 3.27Å; K240-E242 VanDerWaalsContact C-N 3.33Å; E242-V244 PolarHBondContact O-N 3.11Å; E242-R245 PolarHBondContact O-N 2.98Å; E242-A246 WeakPolarHBondContact O-CB 3.11Å; E242-A246 PolarHBondContact O-N 2.93Å
243H92.2Very high94Very high61 Ų6179.1 Ų79.128%0.28240%0.395SS..Hα-helixtrans-57.5-48.8174.5178.3100000112.1E239 K240 R245 A246 L247 Y304E239-H243 PolarHBondContact O-N 2.82Å; E239-H243 VanDerWaalsContact O-N 3.12Å; K240-H243 PolarHBondContact O-N 2.82Å; H243-R245 PolarHBondContact O-N 3.35Å; H243-A246 PolarHBondContact O-N 2.77Å; H243-L247 PolarHBondContact O-N 2.91Å; H243-Y304 HydrophobicContact CB-CD1 3.74Å; H243-Y304 HydrophobicContact CB-CE1 3.34Å; H243-Y304 AromaticContact CD2-CD1 3.71Å; H243-Y304 AromaticContact CD2-CE1 3.8Å; H243-Y304 AromaticContact CG-CD1 3.77Å; H243-Y304 AromaticContact CG-CE1 3.41Å; H243-Y304 VanDerWaalsContact CG-CE1 3.41Å; H243-Y304 AromaticContact CG-CZ 3.87Å; H243-Y304 AromaticContact ND1-CE1 3.9Å; H243-Y304 AromaticContact ND1-CZ 3.88Å
244V91.7Very high93.6Very high43 Ų4378.5 Ų78.526%0.26139%0.39SS..Hα-helixtrans-63.5-39.6178.9173.50000111.6K240 E242 L247 I248 V300K240-V244 WeakPolarHBondContact O-CG2 3.47Å; K240-V244 PolarHBondContact O-N 2.99Å; K240-V244 VanDerWaalsContact O-N 3.11Å; E242-V244 PolarHBondContact O-N 3.11Å; V244-L247 PolarHBondContact O-N 3.39Å; V244-I248 HydrophobicContact CG1-CD1 3.96Å; V244-I248 VanDerWaalsContact O-CG1 3.29Å; V244-I248 WeakPolarHBondContact O-CG1 3.29Å; V244-I248 PolarHBondContact O-N 3.2Å; V244-V300 HydrophobicContact CG2-CG1 4.43Å
245R94.6Very high93.3Very high152 Ų15280.3 Ų80.357%0.57440%0.396SS*.Hα-helixtrans-65.2-39.8174.3-73.4164.2-175.1149.9-1.5112.4L241 E242 H243 L247 I248 K249L241-R245 VanDerWaalsContact O-CB 3.31Å; L241-R245 WeakPolarHBondContact O-CB 3.23Å; L241-R245 VanDerWaalsContact O-CD 3.29Å; L241-R245 WeakPolarHBondContact O-CD 3.22Å; L241-R245 WeakPolarHBondContact O-CG 3.49Å; L241-R245 PolarHBondContact O-N 3.1Å; E242-R245 PolarHBondContact O-N 2.98Å; H243-R245 PolarHBondContact O-N 3.35Å; R245-L247 VanDerWaalsContact C-N 3.34Å; R245-I248 PolarHBondContact O-N 3.31Å; R245-K249 WeakPolarHBondContact O-CB 3.35Å; R245-K249 PolarHBondContact O-N 3.23Å
246A92.8Very high93.2Very high60 Ų6077 Ų7750%0.49639%0.388SS..Hα-helixtrans-63.9-40.5176.400000111.6E242 H243 K249 K250E242-A246 WeakPolarHBondContact O-CB 3.11Å; E242-A246 PolarHBondContact O-N 2.93Å; H243-A246 PolarHBondContact O-N 2.77Å; A246-K249 PolarHBondContact O-N 2.82Å; A246-K250 WeakPolarHBondContact O-CB 3.45Å; A246-K250 PolarHBondContact O-N 3.17Å
247L91.4Very high93Very high16 Ų1680.5 Ų80.58%0.08441%0.406CS..Hα-helixtrans-65.8-45174.6-174.859.9000112H243 V244 R245 K249 K250 Y251 E298 V300H243-L247 PolarHBondContact O-N 2.91Å; V244-L247 PolarHBondContact O-N 3.39Å; R245-L247 VanDerWaalsContact C-N 3.34Å; L247-K249 VanDerWaalsContact C-N 3.3Å; L247-K249 PolarHBondContact O-N 2.86Å; L247-K250 WeakPolarHBondContact O-CB 3.11Å; L247-K250 PolarHBondContact O-N 2.83Å; L247-Y251 HydrophobicContact CD1-CD2 4.06Å; L247-Y251 HydrophobicContact CD1-CE2 3.48Å; L247-Y251 VanDerWaalsContact CD1-CE2 3.48Å; L247-Y251 HydrophobicContact CD2-CE2 4.25Å; L247-Y251 HydrophobicContact CG-CD2 4.01Å; L247-Y251 HydrophobicContact CG-CE2 3.62Å; L247-Y251 WeakPolarHBondContact O-CD2 3.38Å; L247-Y251 PolarHBondContact O-N 3.33Å; L247-E298 HydrophobicContact CD1-CB 4.32Å; L247-E298 HydrophobicContact CD1-CG 4.45Å; L247-V300 HydrophobicContact CD2-CG2 3.92Å
248I91.9Very high92.8Very high109 Ų10978.1 Ų78.156%0.55940%0.398SS*.Hα-helixtrans-57-44.4173-71.2165.1000110.8V244 R245 Y251 S252V244-I248 HydrophobicContact CG1-CD1 3.96Å; V244-I248 VanDerWaalsContact O-CG1 3.29Å; V244-I248 WeakPolarHBondContact O-CG1 3.29Å; V244-I248 PolarHBondContact O-N 3.2Å; R245-I248 PolarHBondContact O-N 3.31Å; I248-Y251 PolarHBondContact O-N 3.41Å; I248-S252 PolarHBondContact O-N 2.96Å
249K94.6Very high92.8Very high129 Ų12979.1 Ų79.156%0.56140%0.4SS*.Hα-helixtrans-62-48.6176.5-175-177.2173.6-173.80111.5R245 A246 L247 Y251 S252 D253R245-K249 WeakPolarHBondContact O-CB 3.35Å; R245-K249 PolarHBondContact O-N 3.23Å; A246-K249 PolarHBondContact O-N 2.82Å; L247-K249 VanDerWaalsContact C-N 3.3Å; L247-K249 PolarHBondContact O-N 2.86Å; K249-Y251 PolarHBondContact O-N 2.9Å; K249-S252 PolarHBondContact O-N 3.37Å; K249-D253 VanDerWaalsContact CE-OD2 3.25Å; K249-D253 WeakPolarHBondContact CE-OD2 3.34Å; K249-D253 WeakPolarHBondContact O-CB 3.43Å; K249-D253 VanDerWaalsContact O-CG 3.27Å; K249-D253 PolarHBondContact O-N 2.98Å
250K90.9Very high92.8Very high111 Ų11179.5 Ų79.548%0.48340%0.4SS..Hα-helixtrans-53.3-40176.9-177.8178.8175.3-178.40111.9A246 L247 H254 E298A246-K250 WeakPolarHBondContact O-CB 3.45Å; A246-K250 PolarHBondContact O-N 3.17Å; L247-K250 WeakPolarHBondContact O-CB 3.11Å; L247-K250 PolarHBondContact O-N 2.83Å; K250-H254 WeakPolarHBondContact O-CB 3.46Å; K250-H254 PolarHBondContact O-N 3.28Å; K250-H254 VanDerWaalsContact O-N 3.14Å; K250-E298 IonicContact NZ-OE1 2.66Å; K250-E298 PolarHBondContact NZ-OE1 2.82Å; K250-E298 VanDerWaalsContact NZ-OE1 3.07Å; K250-E298 IonicContact NZ-OE2 3.07Å; K250-E298 PolarHBondContact NZ-OE2 3.05Å
251Y89Confident92.8Very high56 Ų5679.4 Ų79.422%0.2240%0.401CS..Hα-helixtrans-72-40.4174.1-74.3-57.9000113.8L247 I248 K249 H254 L255 F295 M297 E298L247-Y251 HydrophobicContact CD1-CD2 4.06Å; L247-Y251 HydrophobicContact CD1-CE2 3.48Å; L247-Y251 VanDerWaalsContact CD1-CE2 3.48Å; L247-Y251 HydrophobicContact CD2-CE2 4.25Å; L247-Y251 HydrophobicContact CG-CD2 4.01Å; L247-Y251 HydrophobicContact CG-CE2 3.62Å; L247-Y251 WeakPolarHBondContact O-CD2 3.38Å; L247-Y251 PolarHBondContact O-N 3.33Å; I248-Y251 PolarHBondContact O-N 3.41Å; K249-Y251 PolarHBondContact O-N 2.9Å; Y251-H254 PolarHBondContact O-N 2.86Å; Y251-L255 WeakPolarHBondContact O-CB 3.3Å; Y251-L255 PolarHBondContact O-N 3.14Å; Y251-F295 HydrophobicContact CD1-CZ 4.48Å; Y251-M297 HydrophobicContact CE1-CG 4.43Å; Y251-M297 VanDerWaalsContact OH-C 3.3Å; Y251-M297 VanDerWaalsContact OH-CA 3.23Å; Y251-M297 WeakPolarHBondContact OH-CA 3.31Å; Y251-E298 PolarHBondContact OH-N 3.21Å; Y251-E298 PolarHBondContact OH-O 3.49Å
252S93.5Very high92.7Very high67 Ų6780 Ų8047%0.46941%0.407SS..Hα-helixtrans-63.3-47176.4-168.70000111.7I248 K249 H254 L255 E256I248-S252 PolarHBondContact O-N 2.96Å; K249-S252 PolarHBondContact O-N 3.37Å; S252-H254 VanDerWaalsContact C-N 3.3Å; S252-H254 PolarHBondContact O-N 3.33Å; S252-L255 PolarHBondContact O-N 3.48Å; S252-E256 PolarHBondContact O-N 2.93Å
253D92.6Very high92.7Very high64 Ų6478.4 Ų78.434%0.34240%0.4SS..Hα-helixtrans-60.7-39.6176.3-64.4-4.3000110.3K249 N257K249-D253 VanDerWaalsContact CE-OD2 3.25Å; K249-D253 WeakPolarHBondContact CE-OD2 3.34Å; K249-D253 WeakPolarHBondContact O-CB 3.43Å; K249-D253 VanDerWaalsContact O-CG 3.27Å; K249-D253 PolarHBondContact O-N 2.98Å; D253-N257 PolarHBondContact O-N 3.36Å; D253-N257 PolarHBondContact O-ND2 2.89Å
254H89.7Confident92.8Very high47 Ų4778.3 Ų78.322%0.21841%0.406CS..Hα-helixtrans-67-43.2175-168.1-11.3000112.2K250 Y251 S252 N257 V258 F295K250-H254 WeakPolarHBondContact O-CB 3.46Å; K250-H254 PolarHBondContact O-N 3.28Å; K250-H254 VanDerWaalsContact O-N 3.14Å; Y251-H254 PolarHBondContact O-N 2.86Å; S252-H254 VanDerWaalsContact C-N 3.3Å; S252-H254 PolarHBondContact O-N 3.33Å; H254-N257 PolarHBondContact O-N 3.36Å; H254-V258 WeakPolarHBondContact O-CG2 3.41Å; H254-V258 PolarHBondContact O-N 2.89Å; H254-F295 AromaticContact CD2-CD2 3.65Å; H254-F295 AromaticContact CD2-CE2 3.92Å; H254-F295 AromaticContact CE1-CD2 3.82Å; H254-F295 AromaticContact NE2-CD2 3.35Å; H254-F295 WeakPolarHBondContact NE2-CD2 3.49Å
255L91.4Very high92.8Very high117 Ų11777 Ų7761%0.61340%0.402SS*.Hα-helixtrans-63-43.7179.1-179.762.4000111.7Y251 S252 N257 V258 S259Y251-L255 WeakPolarHBondContact O-CB 3.3Å; Y251-L255 PolarHBondContact O-N 3.14Å; S252-L255 PolarHBondContact O-N 3.48Å; L255-N257 PolarHBondContact O-N 3.18Å; L255-V258 PolarHBondContact O-N 2.93Å; L255-S259 PolarHBondContact O-N 3.38Å
256E94.7Very high92.7Very high100 Ų10074.3 Ų74.347%0.46740%0.398SS..Hα-helixtrans-62.6-41.6177-164.2-167.4166.500111.6S252 V258 S259 K260S252-E256 PolarHBondContact O-N 2.93Å; E256-V258 VanDerWaalsContact C-N 3.34Å; E256-V258 PolarHBondContact O-N 2.77Å; E256-S259 PolarHBondContact O-N 3Å; E256-K260 HydrophobicContact CG-CD 4.46Å; E256-K260 WeakPolarHBondContact O-CG 3.46Å; E256-K260 PolarHBondContact O-N 3.32Å; E256-K260 WeakPolarHBondContact OE1-CE 3.35Å; E256-K260 IonicContact OE1-NZ 2.72Å; E256-K260 PolarHBondContact OE1-NZ 2.87Å; E256-K260 IonicContact OE2-NZ 3.17Å
257N91.8Very high92.7Very high101 Ų10178.5 Ų78.554%0.5441%0.407SS..Hα-helixtrans-65.2-35.2175.4-77.9-54.8000112.8D253 H254 L255 L261D253-N257 PolarHBondContact O-N 3.36Å; D253-N257 PolarHBondContact O-ND2 2.89Å; H254-N257 PolarHBondContact O-N 3.36Å; L255-N257 PolarHBondContact O-N 3.18Å; N257-L261 WeakPolarHBondContact O-CB 3.07Å; N257-L261 PolarHBondContact O-N 3.06Å
258V92.1Very high92.8Very high48 Ų4879.5 Ų79.529%0.29141%0.411SS..Hα-helixtrans-71.5-40.4173.8171.70000111.1H254 L255 E256 L261 V262H254-V258 WeakPolarHBondContact O-CG2 3.41Å; H254-V258 PolarHBondContact O-N 2.89Å; L255-V258 PolarHBondContact O-N 2.93Å; E256-V258 VanDerWaalsContact C-N 3.34Å; E256-V258 PolarHBondContact O-N 2.77Å; V258-L261 PolarHBondContact O-N 2.74Å; V258-V262 HydrophobicContact CG1-CG2 4.48Å; V258-V262 WeakPolarHBondContact O-CG2 3.47Å; V258-V262 PolarHBondContact O-N 3.42Å
259S94.8Very high92.7Very high55 Ų5581 Ų8139%0.38542%0.417SS..Hα-helixtrans-58.1-51.8174.9-163.70000111.1L255 E256 L261 V262 E263L255-S259 PolarHBondContact O-N 3.38Å; E256-S259 PolarHBondContact O-N 3Å; S259-L261 PolarHBondContact O-N 2.91Å; S259-V262 CarbonylContact O-C 3.47Å; S259-V262 WeakPolarHBondContact O-CA 3.23Å; S259-V262 WeakPolarHBondContact O-CB 3.49Å; S259-V262 PolarHBondContact O-N 3.47Å; S259-E263 WeakPolarHBondContact CB-OE1 3.44Å; S259-E263 WeakPolarHBondContact O-CG 3.41Å; S259-E263 PolarHBondContact O-N 3.44Å; S259-E263 PolarHBondContact OG-OE1 2.82Å
260K95Very high92.6Very high92 Ų9281 Ų8140%0.442%0.423SS..Hα-helixtrans-57.6-34.9176.5-71.4168.3-177166.90113E256 S264E256-K260 HydrophobicContact CG-CD 4.46Å; E256-K260 WeakPolarHBondContact O-CG 3.46Å; E256-K260 PolarHBondContact O-N 3.32Å; E256-K260 WeakPolarHBondContact OE1-CE 3.35Å; E256-K260 IonicContact OE1-NZ 2.72Å; E256-K260 PolarHBondContact OE1-NZ 2.87Å; E256-K260 IonicContact OE2-NZ 3.17Å; K260-S264 VanDerWaalsContact O-CB 3.26Å; K260-S264 WeakPolarHBondContact O-CB 3.15Å; K260-S264 PolarHBondContact O-N 3.45Å; K260-S264 PolarHBondContact O-OG 2.89Å
261L93.8Very high92.7Very high31 Ų3179 Ų7916%0.16242%0.415CS..Hα-helixtrans-73.1-34.2176.3-17661.1000112.4N257 V258 S259 G265 L284 K287 I288 A291N257-L261 WeakPolarHBondContact O-CB 3.07Å; N257-L261 PolarHBondContact O-N 3.06Å; V258-L261 PolarHBondContact O-N 2.74Å; S259-L261 PolarHBondContact O-N 2.91Å; L261-G265 PolarHBondContact O-N 3.4Å; L261-L284 HydrophobicContact CD1-CD1 3.93Å; L261-K287 HydrophobicContact CD1-CB 4.05Å; L261-K287 HydrophobicContact CD2-CB 4.46Å; L261-I288 HydrophobicContact CD1-CG1 4.25Å; L261-I288 HydrophobicContact CD2-CG1 4.09Å; L261-I288 HydrophobicContact CG-CG1 4Å; L261-A291 HydrophobicContact CD2-CB 3.6Å
262V93.9Very high92.8Very high83 Ų8382.2 Ų82.250%0.50344%0.443SS..Hα-helixtrans-70.3-44.8172.1170.50000111.1V258 S259 G265 I266V258-V262 HydrophobicContact CG1-CG2 4.48Å; V258-V262 WeakPolarHBondContact O-CG2 3.47Å; V258-V262 PolarHBondContact O-N 3.42Å; S259-V262 CarbonylContact O-C 3.47Å; S259-V262 WeakPolarHBondContact O-CA 3.23Å; S259-V262 WeakPolarHBondContact O-CB 3.49Å; S259-V262 PolarHBondContact O-N 3.47Å; V262-G265 CarbonylContact O-C 3.55Å; V262-G265 VanDerWaalsContact O-CA 3.32Å; V262-G265 WeakPolarHBondContact O-CA 3.46Å; V262-G265 PolarHBondContact O-N 3.4Å; V262-I266 HydrophobicContact CG1-CD1 3.98Å; V262-I266 WeakPolarHBondContact O-CG1 3.25Å; V262-I266 PolarHBondContact O-N 2.76Å
263E95.1Very high92.8Very high104 Ų10483.8 Ų83.849%0.48644%0.443SS..Hα-helixtrans-58.5-47.8173.9-69.9155.7-134.500111.2S259 G265 I266 Q267S259-E263 WeakPolarHBondContact CB-OE1 3.44Å; S259-E263 WeakPolarHBondContact O-CG 3.41Å; S259-E263 PolarHBondContact O-N 3.44Å; S259-E263 PolarHBondContact OG-OE1 2.82Å; E263-G265 VanDerWaalsContact C-N 3.25Å; E263-G265 PolarHBondContact O-N 3.01Å; E263-I266 PolarHBondContact O-N 3.19Å; E263-Q267 WeakPolarHBondContact O-CB 3.19Å; E263-Q267 PolarHBondContact O-N 3.4Å
264S93.1Very high92.6Very high59 Ų5986.7 Ų86.741%0.41346%0.456SS..Hα-helixtrans-60.3-36.1171.8-58.40000111.9K260 F268K260-S264 VanDerWaalsContact O-CB 3.26Å; K260-S264 WeakPolarHBondContact O-CB 3.15Å; K260-S264 PolarHBondContact O-N 3.45Å; K260-S264 PolarHBondContact O-OG 2.89Å; S264-F268 WeakPolarHBondContact O-CB 3.47Å; S264-F268 PolarHBondContact O-N 2.97Å
265G92.7Very high92.6Very high17 Ų1786.9 Ų86.918%0.17547%0.466CS..Hα-helixtrans-62.3-45.1174.700000113.1L261 V262 E263 M269L261-G265 PolarHBondContact O-N 3.4Å; V262-G265 CarbonylContact O-C 3.55Å; V262-G265 VanDerWaalsContact O-CA 3.32Å; V262-G265 WeakPolarHBondContact O-CA 3.46Å; V262-G265 PolarHBondContact O-N 3.4Å; E263-G265 VanDerWaalsContact C-N 3.25Å; E263-G265 PolarHBondContact O-N 3.01Å; G265-M269 WeakPolarHBondContact O-CG 3.41Å; G265-M269 PolarHBondContact O-N 2.89Å
266I93.1Very high92.5Very high95 Ų9583.8 Ų83.849%0.48745%0.452SS..Hα-helixtrans-68.2-51.2178.1-66.7162.6000110V262 E263 F268 M269V262-I266 HydrophobicContact CG1-CD1 3.98Å; V262-I266 WeakPolarHBondContact O-CG1 3.25Å; V262-I266 PolarHBondContact O-N 2.76Å; E263-I266 PolarHBondContact O-N 3.19Å; I266-F268 PolarHBondContact O-N 2.95Å; I266-M269 WeakPolarHBondContact O-CB 3.36Å; I266-M269 PolarHBondContact O-N 3.12Å
267Q92.1Very high92.4Very high148 Ų14882 Ų8269%0.69244%0.443SS*.Hα-helixtrans-59.5-31.7179.6-171.7177.623.600112.3E263 M269 D270E263-Q267 WeakPolarHBondContact O-CB 3.19Å; E263-Q267 PolarHBondContact O-N 3.4Å; Q267-M269 VanDerWaalsContact C-N 3.28Å; Q267-M269 PolarHBondContact O-N 2.76Å; Q267-D270 PolarHBondContact O-N 3.36Å
268F92.8Very high92.4Very high36 Ų3682.6 Ų82.616%0.15845%0.445CS..G310 helixtrans-71.3-18.6175.1-175.9-103.1000114S264 I266 D270 E271 F277 N280 A281 L284S264-F268 WeakPolarHBondContact O-CB 3.47Å; S264-F268 PolarHBondContact O-N 2.97Å; I266-F268 PolarHBondContact O-N 2.95Å; F268-D270 VanDerWaalsContact C-N 3.28Å; F268-E271 WeakPolarHBondContact O-CB 3.44Å; F268-F277 AromaticContact CD1-CD2 3.95Å; F268-F277 HydrophobicContact CD1-CD2 3.95Å; F268-F277 AromaticContact CD1-CE2 3.68Å; F268-F277 HydrophobicContact CD1-CE2 3.68Å; F268-F277 AromaticContact CE1-CD2 3.41Å; F268-F277 HydrophobicContact CE1-CD2 3.41Å; F268-F277 VanDerWaalsContact CE1-CD2 3.41Å; F268-F277 AromaticContact CE1-CE2 3.36Å; F268-F277 HydrophobicContact CE1-CE2 3.36Å; F268-F277 HydrophobicContact CE1-CG 4.19Å; F268-F277 HydrophobicContact CE1-CZ 4.08Å; F268-F277 HydrophobicContact CE2-CD2 4.35Å; F268-F277 HydrophobicContact CZ-CB 4.47Å; F268-F277 AromaticContact CZ-CD2 3.65Å; F268-F277 HydrophobicContact CZ-CD2 3.65Å; F268-F277 HydrophobicContact CZ-CE2 4.1Å; F268-F277 HydrophobicContact CZ-CG 4.14Å; F268-F277 WeakPolarHBondContact CZ-O 3.48Å; F268-F277 WeakPolarHBondContact O-CD2 3.4Å; F268-N280 HydrophobicContact CE2-CB 3.61Å; F268-N280 HydrophobicContact CZ-CB 3.75Å; F268-A281 HydrophobicContact CE1-CB 3.84Å; F268-A281 HydrophobicContact CZ-CB 4.1Å; F268-L284 HydrophobicContact CB-CD2 3.63Å; F268-L284 HydrophobicContact CD1-CD2 3.35Å; F268-L284 HydrophobicContact CD2-CD2 4.31Å; F268-L284 HydrophobicContact CE1-CD2 4.06Å; F268-L284 HydrophobicContact CG-CD2 3.48Å; F268-L284 VanDerWaalsContact CG-CD2 3.48Å
269M89.5Confident92.3Very high140 Ų14087 Ų8769%0.6946%0.463SS*.G310 helixtrans-74.6-20.2172.2-54.8-158.9-53.800112.9G265 I266 Q267 E271G265-M269 WeakPolarHBondContact O-CG 3.41Å; G265-M269 PolarHBondContact O-N 2.89Å; I266-M269 WeakPolarHBondContact O-CB 3.36Å; I266-M269 PolarHBondContact O-N 3.12Å; Q267-M269 VanDerWaalsContact C-N 3.28Å; Q267-M269 PolarHBondContact O-N 2.76Å; M269-E271 VanDerWaalsContact C-N 3.3Å
270D92.9Very high92.1Very high129 Ų12988.1 Ų88.169%0.6946%0.464SS*.G310 helixtrans-86.13.6177.8-63.1-41.3000113Q267 F268 P272Q267-D270 PolarHBondContact O-N 3.36Å; F268-D270 VanDerWaalsContact C-N 3.28Å; D270-P272 VanDerWaalsContact O-CD 3.26Å; D270-P272 WeakPolarHBondContact O-CD 3.29Å
271E92.8Very high91.9Very high69 Ų6984.4 Ų84.432%0.32245%0.451SS..  trans-63.9113179.6174.758.7-10900111.5F268 M269 E273 V276 F277F268-E271 WeakPolarHBondContact O-CB 3.44Å; M269-E271 VanDerWaalsContact C-N 3.3Å; E271-E273 PolarHBondContact O-N 2.9Å; E271-E273 PolarHBondContact OE1-N 3.16Å; E271-E273 VanDerWaalsContact OE1-N 3.14Å; E271-V276 HydrophobicContact CG-CG1 4.35Å; E271-F277 HydrophobicContact CB-CD2 4.3Å; E271-F277 HydrophobicContact CG-CB 4.03Å
272P91.1Very high91.8Very high124 Ų12491 Ų9181%0.80548%0.478SS*.  trans-75.8-22.5-175.230.8-37.1000113.9D270 M274D270-P272 VanDerWaalsContact O-CD 3.26Å; D270-P272 WeakPolarHBondContact O-CD 3.29Å; P272-M274 PolarHBondContact O-N 3.04Å
273E93.6Very high91.7Very high100 Ų10090.7 Ų90.747%0.46748%0.476SS..  trans-93.1100.6-177.3179.948.1-102.500111.4E271 A275 V276 F277E271-E273 PolarHBondContact O-N 2.9Å; E271-E273 PolarHBondContact OE1-N 3.16Å; E271-E273 VanDerWaalsContact OE1-N 3.14Å; E273-A275 HydrophobicContact CG-CB 4.38Å; E273-A275 PolarHBondContact O-N 3.08Å; E273-A275 VanDerWaalsContact O-N 3.08Å; E273-A275 WeakPolarHBondContact OE1-CB 3.4Å; E273-A275 PolarHBondContact OE1-N 3.05Å; E273-V276 HydrophobicContact CB-CB 4.12Å; E273-V276 HydrophobicContact CB-CG2 4.1Å; E273-V276 HydrophobicContact CG-CB 4.05Å; E273-V276 HydrophobicContact CG-CG2 3.66Å; E273-V276 WeakPolarHBondContact O-CA 3.49Å; E273-V276 PolarHBondContact O-N 2.93Å; E273-F277 PolarHBondContact O-N 3.22Å
274M89.9Confident91.5Very high126 Ų12687 Ų8762%0.62146%0.46SS*.Hα-helixtrans-51-34.8-179.4-168.965.760.700113.3P272 L278P272-M274 PolarHBondContact O-N 3.04Å; M274-L278 HydrophobicContact CG-CD1 4.25Å; M274-L278 WeakPolarHBondContact O-CB 3.32Å; M274-L278 WeakPolarHBondContact O-CG 3.32Å; M274-L278 PolarHBondContact O-N 3.43Å
275A89.6Confident91.4Very high51 Ų5189.7 Ų89.742%0.42147%0.469SS..Hα-helixtrans-71.2-34.2177.400000113.1E273 Q279E273-A275 HydrophobicContact CG-CB 4.38Å; E273-A275 PolarHBondContact O-N 3.08Å; E273-A275 VanDerWaalsContact O-N 3.08Å; E273-A275 WeakPolarHBondContact OE1-CB 3.4Å; E273-A275 PolarHBondContact OE1-N 3.05Å; A275-Q279 VanDerWaalsContact O-CG 3.26Å; A275-Q279 WeakPolarHBondContact O-CG 3.47Å; A275-Q279 PolarHBondContact O-N 3.34Å; A275-Q279 PolarHBondContact O-NE2 3.4Å
276V89.4Confident91.4Very high51 Ų5194.2 Ų94.231%0.30949%0.486SS..Hα-helixtrans-75.6-41.1176.8171.40000110.1E271 E273 Q279 N280E271-V276 HydrophobicContact CG-CG1 4.35Å; E273-V276 HydrophobicContact CB-CB 4.12Å; E273-V276 HydrophobicContact CB-CG2 4.1Å; E273-V276 HydrophobicContact CG-CB 4.05Å; E273-V276 HydrophobicContact CG-CG2 3.66Å; E273-V276 WeakPolarHBondContact O-CA 3.49Å; E273-V276 PolarHBondContact O-N 2.93Å; V276-Q279 PolarHBondContact O-N 3.16Å; V276-N280 PolarHBondContact O-N 3.5Å; V276-N280 VanDerWaalsContact O-N 3.13Å; V276-N280 PolarHBondContact O-ND2 3.48Å
277F92.6Very high91.3Very high64 Ų6495.2 Ų95.228%0.28149%0.486SS..Hα-helixtrans-55.7-54.1172.1-177.7-92.8000111.3F268 E271 E273 Q279 N280 A281F268-F277 AromaticContact CD1-CD2 3.95Å; F268-F277 HydrophobicContact CD1-CD2 3.95Å; F268-F277 AromaticContact CD1-CE2 3.68Å; F268-F277 HydrophobicContact CD1-CE2 3.68Å; F268-F277 AromaticContact CE1-CD2 3.41Å; F268-F277 HydrophobicContact CE1-CD2 3.41Å; F268-F277 VanDerWaalsContact CE1-CD2 3.41Å; F268-F277 AromaticContact CE1-CE2 3.36Å; F268-F277 HydrophobicContact CE1-CE2 3.36Å; F268-F277 HydrophobicContact CE1-CG 4.19Å; F268-F277 HydrophobicContact CE1-CZ 4.08Å; F268-F277 HydrophobicContact CE2-CD2 4.35Å; F268-F277 HydrophobicContact CZ-CB 4.47Å; F268-F277 AromaticContact CZ-CD2 3.65Å; F268-F277 HydrophobicContact CZ-CD2 3.65Å; F268-F277 HydrophobicContact CZ-CE2 4.1Å; F268-F277 HydrophobicContact CZ-CG 4.14Å; F268-F277 WeakPolarHBondContact CZ-O 3.48Å; F268-F277 WeakPolarHBondContact O-CD2 3.4Å; E271-F277 HydrophobicContact CB-CD2 4.3Å; E271-F277 HydrophobicContact CG-CB 4.03Å; E273-F277 PolarHBondContact O-N 3.22Å; F277-Q279 VanDerWaalsContact C-N 3.27Å; F277-Q279 PolarHBondContact O-N 3.33Å; F277-N280 PolarHBondContact O-N 3.03Å; F277-A281 HydrophobicContact CE1-CB 4.35Å; F277-A281 VanDerWaalsContact O-CB 3.26Å; F277-A281 WeakPolarHBondContact O-CB 3.48Å; F277-A281 PolarHBondContact O-N 3.44Å
278L90.9Very high91.2Very high112 Ų11291.6 Ų91.659%0.58647%0.471SS*.Hα-helixtrans-66.9-24.5-177.3-70.2174.1000114.2M274M274-L278 HydrophobicContact CG-CD1 4.25Å; M274-L278 WeakPolarHBondContact O-CB 3.32Å; M274-L278 WeakPolarHBondContact O-CG 3.32Å; M274-L278 PolarHBondContact O-N 3.43Å
279Q89.6Confident91.1Very high142 Ų14292.4 Ų92.466%0.66448%0.481SS*.Hα-helixtrans-71.1-44.7171.9-78.2170.463.300112A275 V276 F277A275-Q279 VanDerWaalsContact O-CG 3.26Å; A275-Q279 WeakPolarHBondContact O-CG 3.47Å; A275-Q279 PolarHBondContact O-N 3.34Å; A275-Q279 PolarHBondContact O-NE2 3.4Å; V276-Q279 PolarHBondContact O-N 3.16Å; F277-Q279 VanDerWaalsContact C-N 3.27Å; F277-Q279 PolarHBondContact O-N 3.33Å
280N90.4Very high91.1Very high78 Ų7890.3 Ų90.342%0.41747%0.47SS..Hα-helixtrans-90.2-24.5-171.1-71-46.5000114.3F268 V276 F277 K282 T283 L284F268-N280 HydrophobicContact CE2-CB 3.61Å; F268-N280 HydrophobicContact CZ-CB 3.75Å; V276-N280 PolarHBondContact O-N 3.5Å; V276-N280 VanDerWaalsContact O-N 3.13Å; V276-N280 PolarHBondContact O-ND2 3.48Å; F277-N280 PolarHBondContact O-N 3.03Å; N280-K282 VanDerWaalsContact C-N 3.3Å; N280-K282 PolarHBondContact O-N 2.95Å; N280-T283 WeakPolarHBondContact O-CB 3.27Å; N280-T283 PolarHBondContact O-N 2.96Å; N280-L284 PolarHBondContact O-N 3.11Å
281A91.6Very high90.8Very high14 Ų1485.5 Ų85.512%0.11645%0.447CS..Hα-helixtrans-56.6-38.9-173.200000113.6F268 F277 T283 L284 L285F268-A281 HydrophobicContact CE1-CB 3.84Å; F268-A281 HydrophobicContact CZ-CB 4.1Å; F277-A281 HydrophobicContact CE1-CB 4.35Å; F277-A281 VanDerWaalsContact O-CB 3.26Å; F277-A281 WeakPolarHBondContact O-CB 3.48Å; F277-A281 PolarHBondContact O-N 3.44Å; A281-T283 VanDerWaalsContact C-N 3.35Å; A281-T283 PolarHBondContact O-N 3.15Å; A281-L284 PolarHBondContact O-N 3.25Å; A281-L285 WeakPolarHBondContact O-CB 3.45Å; A281-L285 VanDerWaalsContact O-CG 3.26Å; A281-L285 WeakPolarHBondContact O-CG 3.29Å; A281-L285 PolarHBondContact O-N 3.31Å
282K91.1Very high90.4Very high170 Ų17086.1 Ų86.174%0.73946%0.46SS*.Hα-helixtrans-61.2-43.4177.9-68.8-177.6179.2177.40112N280 L284 Q286N280-K282 VanDerWaalsContact C-N 3.3Å; N280-K282 PolarHBondContact O-N 2.95Å; K282-L284 VanDerWaalsContact C-N 3.33Å; K282-L284 PolarHBondContact O-N 3.45Å; K282-Q286 WeakPolarHBondContact O-CB 3.29Å; K282-Q286 PolarHBondContact O-N 3.37Å
283T91.9Very high89.9Confident75 Ų7587.3 Ų87.346%0.4645%0.452SS..Hα-helixtrans-66.2-36.6179.9-45.50000111.7N280 A281 K287N280-T283 WeakPolarHBondContact O-CB 3.27Å; N280-T283 PolarHBondContact O-N 2.96Å; A281-T283 VanDerWaalsContact C-N 3.35Å; A281-T283 PolarHBondContact O-N 3.15Å; T283-K287 WeakPolarHBondContact O-CG 3.32Å; T283-K287 PolarHBondContact O-N 2.93Å
284L91.7Very high88.9Confident27 Ų2785.7 Ų85.714%0.14146%0.456CS..Hα-helixtrans-73.7-44.7177.3-174.658.7000112.2L261 F268 N280 A281 K282 Q286 K287 I288L261-L284 HydrophobicContact CD1-CD1 3.93Å; F268-L284 HydrophobicContact CB-CD2 3.63Å; F268-L284 HydrophobicContact CD1-CD2 3.35Å; F268-L284 HydrophobicContact CD2-CD2 4.31Å; F268-L284 HydrophobicContact CE1-CD2 4.06Å; F268-L284 HydrophobicContact CG-CD2 3.48Å; F268-L284 VanDerWaalsContact CG-CD2 3.48Å; N280-L284 PolarHBondContact O-N 3.11Å; A281-L284 PolarHBondContact O-N 3.25Å; K282-L284 VanDerWaalsContact C-N 3.33Å; K282-L284 PolarHBondContact O-N 3.45Å; L284-Q286 VanDerWaalsContact C-N 3.27Å; L284-Q286 PolarHBondContact O-N 3.05Å; L284-K287 PolarHBondContact O-N 3.05Å; L284-I288 HydrophobicContact CD1-CD1 4.45Å; L284-I288 HydrophobicContact CG-CD1 4.13Å; L284-I288 WeakPolarHBondContact O-CG1 3.34Å; L284-I288 PolarHBondContact O-N 3.27Å
285L90.6Very high87.7Confident116 Ų11684.6 Ų84.661%0.60745%0.448SS*.Hα-helixtrans-60.4-36.6173.9-71.8168.5000112A281 S289A281-L285 WeakPolarHBondContact O-CB 3.45Å; A281-L285 VanDerWaalsContact O-CG 3.26Å; A281-L285 WeakPolarHBondContact O-CG 3.29Å; A281-L285 PolarHBondContact O-N 3.31Å; L285-S289 VanDerWaalsContact O-CB 3.31Å; L285-S289 WeakPolarHBondContact O-CB 3.38Å; L285-S289 PolarHBondContact O-N 3.18Å
286Q92Very high86.5Confident112 Ų11290.5 Ų90.552%0.52347%0.466SS..Hα-helixtrans-61.3-51.9172.2177.4170.4-9.100111.4K282 L284 I288 S289 E290K282-Q286 WeakPolarHBondContact O-CB 3.29Å; K282-Q286 PolarHBondContact O-N 3.37Å; L284-Q286 VanDerWaalsContact C-N 3.27Å; L284-Q286 PolarHBondContact O-N 3.05Å; Q286-I288 VanDerWaalsContact C-N 3.31Å; Q286-I288 PolarHBondContact O-N 3.46Å; Q286-S289 CarbonylContact O-C 3.59Å; Q286-S289 WeakPolarHBondContact O-CA 3.38Å; Q286-S289 WeakPolarHBondContact O-CB 3.31Å; Q286-S289 PolarHBondContact O-N 3.28Å; Q286-E290 HydrophobicContact CG-CG 4.38Å; Q286-E290 WeakPolarHBondContact CG-OE1 3.31Å; Q286-E290 PolarHBondContact NE2-OE1 3.22Å; Q286-E290 WeakPolarHBondContact O-CG 3.18Å; Q286-E290 PolarHBondContact O-N 3.16Å
287K91.6Very high85.3Confident115 Ų11594.4 Ų94.450%0.548%0.483SS..Hα-helixtrans-56.5-42177.2-72.4174.8179.1-177.10112.8L261 T283 L284 S289 E290 A291L261-K287 HydrophobicContact CD1-CB 4.05Å; L261-K287 HydrophobicContact CD2-CB 4.46Å; T283-K287 WeakPolarHBondContact O-CG 3.32Å; T283-K287 PolarHBondContact O-N 2.93Å; L284-K287 PolarHBondContact O-N 3.05Å; K287-S289 VanDerWaalsContact C-N 3.35Å; K287-E290 PolarHBondContact O-N 3.26Å; K287-A291 WeakPolarHBondContact O-CB 3.35Å; K287-A291 PolarHBondContact O-N 2.76Å
288I90.7Very high84.1Confident72 Ų7296.2 Ų96.237%0.36949%0.492SS..Hα-helixtrans-64.3-41.1175.9-66.7165000110.6L261 L284 Q286 E290 S292L261-I288 HydrophobicContact CD1-CG1 4.25Å; L261-I288 HydrophobicContact CD2-CG1 4.09Å; L261-I288 HydrophobicContact CG-CG1 4Å; L284-I288 HydrophobicContact CD1-CD1 4.45Å; L284-I288 HydrophobicContact CG-CD1 4.13Å; L284-I288 WeakPolarHBondContact O-CG1 3.34Å; L284-I288 PolarHBondContact O-N 3.27Å; Q286-I288 VanDerWaalsContact C-N 3.31Å; Q286-I288 PolarHBondContact O-N 3.46Å; I288-E290 VanDerWaalsContact C-N 3.29Å; I288-E290 PolarHBondContact O-N 3.26Å; I288-S292 WeakPolarHBondContact O-CB 3.48Å; I288-S292 PolarHBondContact O-N 2.92Å; I288-S292 VanDerWaalsContact O-N 3.08Å; I288-S292 PolarHBondContact O-OG 2.92Å
289S89.3Confident83.3Confident53 Ų5399.6 Ų99.637%0.37150%0.502SS..Hα-helixtrans-70.3-21.3175.8-156.40000113.7L285 Q286 K287 S292 K293L285-S289 VanDerWaalsContact O-CB 3.31Å; L285-S289 WeakPolarHBondContact O-CB 3.38Å; L285-S289 PolarHBondContact O-N 3.18Å; Q286-S289 CarbonylContact O-C 3.59Å; Q286-S289 WeakPolarHBondContact O-CA 3.38Å; Q286-S289 WeakPolarHBondContact O-CB 3.31Å; Q286-S289 PolarHBondContact O-N 3.28Å; K287-S289 VanDerWaalsContact C-N 3.35Å; S289-S292 WeakPolarHBondContact CA-OG 3.49Å; S289-K293 WeakPolarHBondContact O-CD 3.33Å; S289-K293 WeakPolarHBondContact O-CE 3.44Å; S289-K293 WeakPolarHBondContact O-CG 3.46Å; S289-K293 PolarHBondContact O-NZ 2.76Å; S289-K293 PolarHBondContact OG-NZ 3.38Å
290E88.9Confident82.7Confident97 Ų9795.2 Ų95.245%0.45349%0.485SS..Hα-helixtrans-84.8-49.4175-73.2164.2173.400110.5Q286 K287 I288 S292 K293 A294Q286-E290 HydrophobicContact CG-CG 4.38Å; Q286-E290 WeakPolarHBondContact CG-OE1 3.31Å; Q286-E290 PolarHBondContact NE2-OE1 3.22Å; Q286-E290 WeakPolarHBondContact O-CG 3.18Å; Q286-E290 PolarHBondContact O-N 3.16Å; K287-E290 PolarHBondContact O-N 3.26Å; I288-E290 VanDerWaalsContact C-N 3.29Å; I288-E290 PolarHBondContact O-N 3.26Å; E290-S292 VanDerWaalsContact C-N 3.3Å; E290-S292 PolarHBondContact O-N 3.42Å; E290-K293 PolarHBondContact O-N 2.88Å; E290-A294 PolarHBondContact O-N 2.87Å; E290-A294 VanDerWaalsContact O-N 3.07Å
291A87.9Confident81.9Confident27 Ų2797 Ų9722%0.22349%0.491CS..Hα-helixtrans-59.6-37177.600000113.1L261 K287 K293L261-A291 HydrophobicContact CD2-CB 3.6Å; K287-A291 WeakPolarHBondContact O-CB 3.35Å; K287-A291 PolarHBondContact O-N 2.76Å; A291-K293 VanDerWaalsContact C-N 3.33Å
292S83.6Confident80.6Confident83 Ų83105.1 Ų105.158%0.5853%0.526SS*.THydrogen-bonded Turntrans-72.9-20.4175.7510000114.3I288 S289 E290I288-S292 WeakPolarHBondContact O-CB 3.48Å; I288-S292 PolarHBondContact O-N 2.92Å; I288-S292 VanDerWaalsContact O-N 3.08Å; I288-S292 PolarHBondContact O-OG 2.92Å; S289-S292 WeakPolarHBondContact CA-OG 3.49Å; E290-S292 VanDerWaalsContact C-N 3.3Å; E290-S292 PolarHBondContact O-N 3.42Å
293K80.9Confident79.7Confident149 Ų14998.9 Ų98.965%0.64851%0.51SS*.THydrogen-bonded Turntrans-89.8-22174.7-69.8179.2-163.1108.60113.4S289 E290 A291 F295S289-K293 WeakPolarHBondContact O-CD 3.33Å; S289-K293 WeakPolarHBondContact O-CE 3.44Å; S289-K293 WeakPolarHBondContact O-CG 3.46Å; S289-K293 PolarHBondContact O-NZ 2.76Å; S289-K293 PolarHBondContact OG-NZ 3.38Å; E290-K293 PolarHBondContact O-N 2.88Å; A291-K293 VanDerWaalsContact C-N 3.33Å; K293-F295 PolarHBondContact O-N 2.94Å
294A73.5Confident79.2Confident65 Ų6599 Ų9954%0.53750%0.503SS..SBendtrans-70.1-16.6179.600000113.8E290 Q296E290-A294 PolarHBondContact O-N 2.87Å; E290-A294 VanDerWaalsContact O-N 3.07Å; A294-Q296 PolarHBondContact O-N 3.15Å
295F63.6Low78.9Confident103 Ų103103.8 Ų103.845%0.45252%0.524SS..  trans-80.274.8-171.2-148.1-78.8000113.1Y251 H254 K293 M297Y251-F295 HydrophobicContact CD1-CZ 4.48Å; H254-F295 AromaticContact CD2-CD2 3.65Å; H254-F295 AromaticContact CD2-CE2 3.92Å; H254-F295 AromaticContact CE1-CD2 3.82Å; H254-F295 AromaticContact NE2-CD2 3.35Å; H254-F295 WeakPolarHBondContact NE2-CD2 3.49Å; K293-F295 PolarHBondContact O-N 2.94Å; F295-M297 HydrophobicContact CD1-CG 4.04Å; F295-M297 HydrophobicContact CE1-CG 3.63Å; F295-M297 HydrophobicContact CE1-SD 4.16Å
296Q65.4Low78.6Confident175 Ų175102.2 Ų102.282%0.81852%0.516SS*.  trans-93.9124.3161.6-71-169.8-3.400110.1A294 E298A294-Q296 PolarHBondContact O-N 3.15Å; Q296-E298 PolarHBondContact O-N 3.02Å; Q296-E298 VanDerWaalsContact O-N 3.14Å
297M63.5Low78.6Confident133 Ų13399.3 Ų99.366%0.65550%0.504SS*.  trans-80.893.9176.5-68.4-168.776.700111.2Y251 F295 K299Y251-M297 HydrophobicContact CE1-CG 4.43Å; Y251-M297 VanDerWaalsContact OH-C 3.3Å; Y251-M297 VanDerWaalsContact OH-CA 3.23Å; Y251-M297 WeakPolarHBondContact OH-CA 3.31Å; F295-M297 HydrophobicContact CD1-CG 4.04Å; F295-M297 HydrophobicContact CE1-CG 3.63Å; F295-M297 HydrophobicContact CE1-SD 4.16Å; M297-K299 PolarHBondContact O-N 3.43Å
298E67.5Low78.5Confident103 Ų103100.1 Ų100.148%0.48151%0.513SS..  trans-58.4108.1162.5-167.6173.3-102.400109.3L247 K250 Y251 Q296L247-E298 HydrophobicContact CD1-CB 4.32Å; L247-E298 HydrophobicContact CD1-CG 4.45Å; K250-E298 IonicContact NZ-OE1 2.66Å; K250-E298 PolarHBondContact NZ-OE1 2.82Å; K250-E298 VanDerWaalsContact NZ-OE1 3.07Å; K250-E298 IonicContact NZ-OE2 3.07Å; K250-E298 PolarHBondContact NZ-OE2 3.05Å; Y251-E298 PolarHBondContact OH-N 3.21Å; Y251-E298 PolarHBondContact OH-O 3.49Å; Q296-E298 PolarHBondContact O-N 3.02Å; Q296-E298 VanDerWaalsContact O-N 3.14Å
299K73.6Confident78.4Confident182 Ų182101.9 Ų101.979%0.79152%0.52SS*.PPolyproline II helixtrans-75.1154.3179.6-65.7-176.6178.9-178.70110.3M297 E301M297-K299 PolarHBondContact O-N 3.43Å; K299-E301 PolarHBondContact O-N 3.05Å
300V76.7Confident78.6Confident51 Ų51102.6 Ų102.631%0.30952%0.517SS..PPolyproline II helixtrans-55.7131.4167.6178.60000108.8V244 L247 E305V244-V300 HydrophobicContact CG2-CG1 4.43Å; L247-V300 HydrophobicContact CD2-CG2 3.92Å; V300-E305 HydrophobicContact CG1-CG 3.85Å
301E74.4Confident78.8Confident115 Ų115104 Ų10454%0.53753%0.531SS..PPolyproline II helixtrans-66.6134.8179.6-74.4-177176.300111.2K299 G303 Y304K299-E301 PolarHBondContact O-N 3.05Å; E301-G303 PolarHBondContact O-N 2.93Å; E301-Y304 HydrophobicContact CB-CD2 3.61Å; E301-Y304 HydrophobicContact CB-CE2 3.84Å; E301-Y304 PolarHBondContact O-N 3.14Å; E301-Y304 WeakPolarHBondContact OE2-CE2 3.47Å
302H63.6Low79.1Confident184 Ų184106.8 Ų106.885%0.85255%0.546SS*.THydrogen-bonded Turntrans-70.9103.7-172.3-155.449.8000110.5E305H302-E305 IonicContact CE1-OE2 2.77Å; H302-E305 IonicContact ND1-OE2 3.92Å; H302-E305 PolarHBondContact ND1-OE2 3.19Å
303G71.9Confident79.6Confident39 Ų39108.3 Ų108.340%0.40255%0.547SS..THydrogen-bonded Turntrans137.5-25.8-167.900000113.4K240 E301 E305K240-G303 WeakPolarHBondContact CE-O 3.49Å; K240-G303 PolarHBondContact NZ-O 2.86Å; E301-G303 PolarHBondContact O-N 2.93Å; G303-E305 PolarHBondContact O-N 2.94Å
304Y82.2Confident80.3Confident78 Ų78106.2 Ų106.231%0.30654%0.543SS..THydrogen-bonded Turntrans-73.3-19.8172.4-78.6-100.8000112.9K240 H243 E301 N306K240-Y304 HydrophobicContact CB-CD1 3.89Å; K240-Y304 HydrophobicContact CB-CE1 4.48Å; K240-Y304 HydrophobicContact CG-CD1 3.73Å; K240-Y304 HydrophobicContact CG-CE1 4.14Å; K240-Y304 HydrophobicContact CG-CG 4.35Å; H243-Y304 HydrophobicContact CB-CD1 3.74Å; H243-Y304 HydrophobicContact CB-CE1 3.34Å; H243-Y304 AromaticContact CD2-CD1 3.71Å; H243-Y304 AromaticContact CD2-CE1 3.8Å; H243-Y304 AromaticContact CG-CD1 3.77Å; H243-Y304 AromaticContact CG-CE1 3.41Å; H243-Y304 VanDerWaalsContact CG-CE1 3.41Å; H243-Y304 AromaticContact CG-CZ 3.87Å; H243-Y304 AromaticContact ND1-CE1 3.9Å; H243-Y304 AromaticContact ND1-CZ 3.88Å; E301-Y304 HydrophobicContact CB-CD2 3.61Å; E301-Y304 HydrophobicContact CB-CE2 3.84Å; E301-Y304 PolarHBondContact O-N 3.14Å; E301-Y304 WeakPolarHBondContact OE2-CE2 3.47Å; Y304-N306 VanDerWaalsContact C-N 3.34Å; Y304-N306 PolarHBondContact O-N 3.38Å
305E84.5Confident81.4Confident127 Ų127108.2 Ų108.259%0.59355%0.545SS*.THydrogen-bonded Turntrans-79.4-8.6-174-56.5171.2128.800113.9V300 H302 G303V300-E305 HydrophobicContact CG1-CG 3.85Å; H302-E305 IonicContact CE1-OE2 2.77Å; H302-E305 IonicContact ND1-OE2 3.92Å; H302-E305 PolarHBondContact ND1-OE2 3.19Å; G303-E305 PolarHBondContact O-N 2.94Å
306N86.1Confident83Confident83 Ų83112 Ų11244%0.44456%0.556SS.*  trans-147.6150.1-168.5-161-15000114.2K240 Y304 N308K240-N306 PolarHBondContact NZ-O 3.5Å; Y304-N306 VanDerWaalsContact C-N 3.34Å; Y304-N306 PolarHBondContact O-N 3.38Å; N306-N308 WeakPolarHBondContact OD1-CB 3.39Å; N306-N308 PolarHBondContact OD1-N 3.33Å; N306-N308 PolarHBondContact OD1-ND2 3.07Å; N306-N308 PolarHBondContact OD1-OD1 2.7Å; N306-N308 VanDerWaalsContact OD1-OD1 3.1Å
307M91.4Very high84.4Confident52 Ų52107.2 Ų107.226%0.25653%0.533SS..  trans-120.4-4.1177.4-66.2-67-78.400114I233 T236 Q237 K240 H309 F310I233-M307 HydrophobicContact CG2-CE 3.97Å; I233-M307 WeakPolarHBondContact O-CE 3.37Å; T236-M307 HydrophobicContact CG2-CE 4.18Å; T236-M307 HydrophobicContact CG2-SD 4.1Å; Q237-M307 HydrophobicContact CB-CE 3.93Å; K240-M307 HydrophobicContact CD-SD 3.84Å; M307-H309 PolarHBondContact O-N 3.3Å; M307-H309 PolarHBondContact O-ND1 3.1Å; M307-F310 HydrophobicContact CE-CD2 4.05Å; M307-F310 HydrophobicContact CE-CE2 3.53Å; M307-F310 WeakPolarHBondContact O-CD2 3.38Å; M307-F310 PolarHBondContact O-N 3.02Å; M307-F310 HydrophobicContact SD-CE2 4.22Å
308N89.5Confident85.9Confident131 Ų131104.8 Ų104.870%0.70152%0.521SS*.THydrogen-bonded Turntrans-655.7-172.5-61.80.8000116.3N306N306-N308 WeakPolarHBondContact OD1-CB 3.39Å; N306-N308 PolarHBondContact OD1-N 3.33Å; N306-N308 PolarHBondContact OD1-ND2 3.07Å; N306-N308 PolarHBondContact OD1-OD1 2.7Å; N306-N308 VanDerWaalsContact OD1-OD1 3.1Å
309H89.1Confident87.2Confident109 Ų109105.6 Ų105.651%0.50552%0.522SS..THydrogen-bonded Turntrans-83.6-18.1176.456.4-76.8000112.5M307 T311M307-H309 PolarHBondContact O-N 3.3Å; M307-H309 PolarHBondContact O-ND1 3.1Å; H309-T311 PolarHBondContact O-N 3.14Å; H309-T311 VanDerWaalsContact O-N 3.16Å
310F92.6Very high88.3Confident69 Ų69101.1 Ų101.130%0.30351%0.506SS..  trans-71.7105.8171.3-67.4-71.4000110V232 I233 T236 M307V232-F310 HydrophobicContact CG1-CE1 3.97Å; V232-F310 HydrophobicContact CG1-CZ 4.39Å; I233-F310 HydrophobicContact CD1-CB 4.19Å; I233-F310 HydrophobicContact CD1-CD1 4.41Å; I233-F310 HydrophobicContact CD1-CG 4.2Å; I233-F310 HydrophobicContact CG1-CB 4.22Å; I233-F310 HydrophobicContact CG1-CD1 3.7Å; I233-F310 HydrophobicContact CG1-CD2 3.93Å; I233-F310 HydrophobicContact CG1-CE1 3.98Å; I233-F310 HydrophobicContact CG1-CE2 4.21Å; I233-F310 HydrophobicContact CG1-CG 3.67Å; I233-F310 HydrophobicContact CG1-CZ 4.23Å; I233-F310 HydrophobicContact CG2-CD2 4.44Å; T236-F310 HydrophobicContact CG2-CE2 4.17Å; T236-F310 HydrophobicContact CG2-CZ 4.12Å; M307-F310 HydrophobicContact CE-CD2 4.05Å; M307-F310 HydrophobicContact CE-CE2 3.53Å; M307-F310 WeakPolarHBondContact O-CD2 3.38Å; M307-F310 PolarHBondContact O-N 3.02Å; M307-F310 HydrophobicContact SD-CE2 4.22Å
311T93.2Very high89.1Confident125 Ų125102.6 Ų102.677%0.76751%0.511SS*.  trans-133.4150.9177.854.30000109.8H309H309-T311 PolarHBondContact O-N 3.14Å; H309-T311 VanDerWaalsContact O-N 3.16Å
312V94.7Very high90.1Very high87 Ų87105.8 Ų105.853%0.52752%0.519SS..  trans-139.9141.6-172.7-166.20000108.7M229 L314M229-V312 HydrophobicContact CE-CG1 4.15Å; M229-V312 HydrophobicContact CE-CG2 3.77Å; M229-V312 HydrophobicContact SD-CG1 4.25Å; M229-V312 HydrophobicContact SD-CG2 3.54Å; M229-V312 VanDerWaalsContact SD-CG2 3.54Å; V312-L314 HydrophobicContact CG1-CD2 3.84Å; V312-L314 HydrophobicContact CG1-CG 3.99Å
313N94.1Very high91.6Very high114 Ų114103 Ų10361%0.6151%0.506SS*.  trans-126.4129.7170.7-174.4-42.3000107.4N315N313-N315 WeakPolarHBondContact OD1-CB 3.42Å; N313-N315 PolarHBondContact OD1-N 2.71Å; N313-N315 PolarHBondContact OD1-OD1 2.7Å; N313-N315 VanDerWaalsContact OD1-OD1 3.12Å
314L95.9Very high92.6Very high105 Ų105105 Ų10555%0.5551%0.506SS..  trans-124.810.9-176.5-59.5176.4000111.9V312 R316 E317 E318V312-L314 HydrophobicContact CG1-CD2 3.84Å; V312-L314 HydrophobicContact CG1-CG 3.99Å; L314-R316 PolarHBondContact O-N 3.36Å; L314-R316 VanDerWaalsContact O-N 3.13Å; L314-E317 WeakPolarHBondContact CA-OE2 3.41Å; L314-E317 PolarHBondContact O-N 3.08Å; L314-E317 VanDerWaalsContact O-N 3.1Å; L314-E318 VanDerWaalsContact O-CB 3.32Å; L314-E318 WeakPolarHBondContact O-CB 3.16Å; L314-E318 PolarHBondContact O-N 3.18Å
315N96.6Very high93.2Very high108 Ų108106.5 Ų106.558%0.57852%0.52SS*.Hα-helixtrans-64.9-23.9-168.3-59.916.7000112.6N313 K319N313-N315 WeakPolarHBondContact OD1-CB 3.42Å; N313-N315 PolarHBondContact OD1-N 2.71Å; N313-N315 PolarHBondContact OD1-OD1 2.7Å; N313-N315 VanDerWaalsContact OD1-OD1 3.12Å; N315-K319 WeakPolarHBondContact O-CB 3.4Å; N315-K319 PolarHBondContact O-N 2.81Å
316R95.5Very high93.6Very high183 Ų183107.3 Ų107.369%0.69152%0.522SS*.Hα-helixtrans-79.6-42.8176.4177.7-171.3-179.1-158.6-1110.7L314 K319 I320L314-R316 PolarHBondContact O-N 3.36Å; L314-R316 VanDerWaalsContact O-N 3.13Å; R316-K319 WeakPolarHBondContact O-CB 3.42Å; R316-K319 PolarHBondContact O-N 3.05Å; R316-I320 HydrophobicContact CG-CD1 4Å; R316-I320 WeakPolarHBondContact O-CG1 3.43Å; R316-I320 PolarHBondContact O-N 2.96Å
317E95Very high93.6Very high74 Ų74112.8 Ų112.835%0.34654%0.537SS..Hα-helixtrans-69.2-44-178.5-65.161.6-13800109.7L314 K319 I320 I321L314-E317 WeakPolarHBondContact CA-OE2 3.41Å; L314-E317 PolarHBondContact O-N 3.08Å; L314-E317 VanDerWaalsContact O-N 3.1Å; E317-K319 VanDerWaalsContact C-N 3.29Å; E317-K319 PolarHBondContact O-N 3.24Å; E317-I320 PolarHBondContact O-N 3.24Å; E317-I321 VanDerWaalsContact O-CG1 3.29Å; E317-I321 WeakPolarHBondContact O-CG1 3.45Å; E317-I321 PolarHBondContact O-N 2.67Å
318E94.8Very high92.9Very high82 Ų82118.7 Ų118.738%0.38356%0.557SS.*Hα-helixtrans-53.7-44.2168.7-178.2-170.1162.600111.9L314 R322L314-E318 VanDerWaalsContact O-CB 3.32Å; L314-E318 WeakPolarHBondContact O-CB 3.16Å; L314-E318 PolarHBondContact O-N 3.18Å; E318-R322 PolarHBondContact O-N 3.49Å; E318-R322 IonicContact OE1-CZ 2.72Å; E318-R322 IonicContact OE1-NH1 3.03Å; E318-R322 PolarHBondContact OE1-NH1 3.22Å; E318-R322 IonicContact OE1-NH2 3.76Å; E318-R322 PolarHBondContact OE1-NH2 3.5Å
319K96.8Very high91.3Very high119 Ų119119.5 Ų119.552%0.51756%0.556SS.*Hα-helixtrans-64.1-49.7176.7179.2177.6172.5-176.10111.3N315 R316 E317 I321 R322 E323N315-K319 WeakPolarHBondContact O-CB 3.4Å; N315-K319 PolarHBondContact O-N 2.81Å; R316-K319 WeakPolarHBondContact O-CB 3.42Å; R316-K319 PolarHBondContact O-N 3.05Å; E317-K319 VanDerWaalsContact C-N 3.29Å; E317-K319 PolarHBondContact O-N 3.24Å; K319-I321 VanDerWaalsContact C-N 3.3Å; K319-I321 PolarHBondContact O-N 2.7Å; K319-R322 PolarHBondContact O-N 3.43Å; K319-R322 VanDerWaalsContact O-N 3.14Å; K319-E323 WeakPolarHBondContact CE-OE1 3.28Å; K319-E323 WeakPolarHBondContact CE-OE2 3.48Å; K319-E323 IonicContact NZ-OE1 3.05Å; K319-E323 PolarHBondContact NZ-OE1 3.15Å; K319-E323 IonicContact NZ-OE2 3.64Å; K319-E323 PolarHBondContact O-N 3.09Å
320I95.1Very high89.4Confident88 Ų88120.5 Ų120.545%0.45157%0.566SS.*Hα-helixtrans-60.5-40.3-178.8-69.2163.9000111R316 E317 R322 E323R316-I320 HydrophobicContact CG-CD1 4Å; R316-I320 WeakPolarHBondContact O-CG1 3.43Å; R316-I320 PolarHBondContact O-N 2.96Å; E317-I320 PolarHBondContact O-N 3.24Å; I320-R322 VanDerWaalsContact C-N 3.32Å; I320-R322 PolarHBondContact O-N 3.36Å; I320-E323 PolarHBondContact O-N 3.28Å; I320-E323 VanDerWaalsContact O-N 3.14Å
321I94.8Very high87.2Confident82 Ų82124.8 Ų124.842%0.42159%0.587SS.*Hα-helixtrans-65.5-34178.1-68.3164.8000111.7L222 E317 K319 E323L222-I321 HydrophobicContact CD1-CD1 4.17Å; E317-I321 VanDerWaalsContact O-CG1 3.29Å; E317-I321 WeakPolarHBondContact O-CG1 3.45Å; E317-I321 PolarHBondContact O-N 2.67Å; K319-I321 VanDerWaalsContact C-N 3.3Å; K319-I321 PolarHBondContact O-N 2.7Å; I321-E323 VanDerWaalsContact C-N 3.3Å; I321-E323 PolarHBondContact O-N 3.05Å
322R94Very high84.9Confident183 Ų183126.3 Ų126.369%0.69159%0.59SS**Hα-helixtrans-74.8-14.7173.6-73.3-168.9-173.711710114.6E318 K319 I320E318-R322 PolarHBondContact O-N 3.49Å; E318-R322 IonicContact OE1-CZ 2.72Å; E318-R322 IonicContact OE1-NH1 3.03Å; E318-R322 PolarHBondContact OE1-NH1 3.22Å; E318-R322 IonicContact OE1-NH2 3.76Å; E318-R322 PolarHBondContact OE1-NH2 3.5Å; K319-R322 PolarHBondContact O-N 3.43Å; K319-R322 VanDerWaalsContact O-N 3.14Å; I320-R322 VanDerWaalsContact C-N 3.32Å; I320-R322 PolarHBondContact O-N 3.36Å
323E95.3Very high82.5Confident124 Ų124130.3 Ų130.358%0.57960%0.603SS**THydrogen-bonded Turntrans-9610.3178.4-69.9177.8150.600112.3K319 I320 I321K319-E323 WeakPolarHBondContact CE-OE1 3.28Å; K319-E323 WeakPolarHBondContact CE-OE2 3.48Å; K319-E323 IonicContact NZ-OE1 3.05Å; K319-E323 PolarHBondContact NZ-OE1 3.15Å; K319-E323 IonicContact NZ-OE2 3.64Å; K319-E323 PolarHBondContact O-N 3.09Å; I320-E323 PolarHBondContact O-N 3.28Å; I320-E323 VanDerWaalsContact O-N 3.14Å; I321-E323 VanDerWaalsContact C-N 3.3Å; I321-E323 PolarHBondContact O-N 3.05Å
324I94.1Very high80Confident81 Ų81133.5 Ų133.542%0.41561%0.614SS.*  trans-79.5118.5172.3-58.1175.2000109.6F215 L218F215-I324 HydrophobicContact CE1-CD1 4.31Å; F215-I324 HydrophobicContact CZ-CG2 4.01Å; L218-I324 HydrophobicContact CD1-CD1 4.12Å
325D94Very high77.3Confident111 Ų111138 Ų13859%0.59463%0.632SS**  trans-131.8170173.4-169.813000108.8R328D325-R328 IonicContact OD2-NH2 2.68Å
326F92.3Very high74.5Confident144 Ų144141.6 Ų141.663%0.63265%0.646SS**  trans-64.1142.8169-69.1-81.1000110.6L211 R328L211-F326 HydrophobicContact CD1-CE1 4.05Å; L211-F326 HydrophobicContact CD1-CZ 4.42Å; L211-F326 HydrophobicContact CD2-CE1 4.02Å; L211-F326 HydrophobicContact CD2-CZ 3.72Å; F326-R328 PolarHBondContact O-N 3.49Å; F326-R328 VanDerWaalsContact O-N 3.17Å
327Y86.8Confident72Confident197 Ų197142.5 Ų142.577%0.77366%0.658SS**  trans-67.8116.1170.2-174.3-118.9000108.7E329Y327-E329 HydrophobicContact CD1-CG 3.75Å; Y327-E329 HydrophobicContact CE1-CB 4.49Å; Y327-E329 HydrophobicContact CE1-CG 3.42Å; Y327-E329 VanDerWaalsContact CE1-CG 3.42Å; Y327-E329 PolarHBondContact O-N 3.18Å
328R77.7Confident69.2Low176 Ų176142.5 Ų142.566%0.66468%0.678SS**  trans-77.9114.1159.7-87.6172-90.1171.3-7107.2D325 F326 D330D325-R328 IonicContact OD2-NH2 2.68Å; F326-R328 PolarHBondContact O-N 3.49Å; F326-R328 VanDerWaalsContact O-N 3.17Å; R328-D330 VanDerWaalsContact C-N 3.33Å; R328-D330 PolarHBondContact O-N 3.43Å
329E55.3Low66.5Low148 Ų148142.2 Ų142.269%0.69270%0.697SS**  trans-67.4104.7148.7-74175.6170.100104.7Y327 E331Y327-E329 HydrophobicContact CD1-CG 3.75Å; Y327-E329 HydrophobicContact CE1-CB 4.49Å; Y327-E329 HydrophobicContact CE1-CG 3.42Å; Y327-E329 VanDerWaalsContact CE1-CG 3.42Å; Y327-E329 PolarHBondContact O-N 3.18Å; E329-E331 PolarHBondContact O-N 3.05Å
330D49.1Very low63.8Low130 Ų130146 Ų14670%0.69572%0.716SS**  trans-66.595.6166.4-69-43.8000105.6R328 D332R328-D330 VanDerWaalsContact C-N 3.33Å; R328-D330 PolarHBondContact O-N 3.43Å; D330-D332 VanDerWaalsContact C-N 3.25Å; D330-D332 PolarHBondContact O-N 3.34Å
331E46.5Very low61Low159 Ų159145.5 Ų145.574%0.74373%0.734SS**  trans-6689.1171.8-72.4176.614600107.7E329 E333E329-E331 PolarHBondContact O-N 3.05Å; E331-E333 HydrophobicContact CB-CG 4.44Å; E331-E333 PolarHBondContact O-N 3.15Å
332D44.1Very low58.3Low157 Ų157151.4 Ų151.484%0.8476%0.759SS**  trans-64.657163.2-77-39.4000109.4D330 E334D330-D332 VanDerWaalsContact C-N 3.25Å; D330-D332 PolarHBondContact O-N 3.34Å; D332-E334 PolarHBondContact O-N 3.34Å
333E45.5Very low55.7Low172 Ų172154.3 Ų154.380%0.80477%0.77SS**  trans-69.2123.8166.6-74.4-157.8146.500108.6E331E331-E333 HydrophobicContact CB-CG 4.44Å; E331-E333 PolarHBondContact O-N 3.15Å
334E40.3Very low53Low180 Ų180158 Ų15884%0.84179%0.788SS**  trans-64.5143.8-168.4-57.1-179.6139.200111.4D332 E336D332-E334 PolarHBondContact O-N 3.34Å; E334-E336 VanDerWaalsContact C-N 3.28Å; E334-E336 PolarHBondContact O-N 3.36Å
335E39.2Very low50.1Low199 Ų199157.4 Ų157.493%0.9380%0.802SS**  trans-66.280.7174.9-67.5-175.5149.700111.1E337E335-E337 PolarHBondContact O-N 3.44Å; E335-E337 VanDerWaalsContact O-N 3.14Å
336E38.6Very low47.4Very low185 Ų185161.9 Ų161.986%0.86482%0.819SS**  trans-66.9110.3166.2-80.4-137.3133.100109.7E334 G338E334-E336 VanDerWaalsContact C-N 3.28Å; E334-E336 PolarHBondContact O-N 3.36Å; E336-G338 PolarHBondContact O-N 3.19Å
337E43.9Very low44.5Very low201 Ų201158.8 Ų158.894%0.93983%0.827SS**  trans-65.468.2169.4-74.6-167.3109.800111.8E335 G339E335-E337 PolarHBondContact O-N 3.44Å; E335-E337 VanDerWaalsContact O-N 3.14Å; E337-G339 PolarHBondContact O-N 3.24Å
338G36.2Very low42.1Very low74 Ų74158.7 Ų158.776%0.76383%0.834SS**  trans-78.446.7175.400000113.9E336 E340E336-G338 PolarHBondContact O-N 3.19Å; G338-E340 PolarHBondContact O-N 3.18Å; G338-E340 VanDerWaalsContact O-N 3.08Å
339G38.1Very low40.1Very low77 Ų77157.6 Ų157.679%0.79485%0.846SS**  trans-80.978.6-168.100000116E337E337-G339 PolarHBondContact O-N 3.24Å
340E38.9Very low38.9Very low197 Ų197153.8 Ų153.892%0.92185%0.847SS**  trans-120.5120.3163.7-69.5-167.7-160.300111.2G338G338-E340 PolarHBondContact O-N 3.18Å; G338-E340 VanDerWaalsContact O-N 3.08Å
341G37.6Very low38Very low79 Ų79151.7 Ų151.781%0.81486%0.856SS**  trans-126.2118-176.600000112.6
342E37.4Very low37.2Very low205 Ų205153.4 Ų153.496%0.95886%0.864SS**  trans-109.8141.9165-65.2-158.9136.300110.4
343R38.3Very low36.7Very low245 Ų245150.5 Ų150.593%0.92586%0.862SS**  trans-139.981.2-167.5-172-175.8-174.8-102.2-0.2111.1
344E39.4Very low36.1Very low201 Ų201148.3 Ų148.394%0.93986%0.86SS**  trans-124.8150.9168.2-63.7-163.8165.200109.7
345G33.2Very low36.1Very low69 Ų69149 Ų14971%0.71186%0.863SS**  cis172.4301.200000116
346E37.4Very low35.9Very low205 Ų205145.7 Ų145.796%0.95886%0.857SS**  trans62.4140172.5-65172.7-166.300117.7
347G30.9Very low35.6Very low78 Ų78145.6 Ų145.680%0.80486%0.856SS**  trans-171.767.3-177.300000113.3V349G347-V349 PolarHBondContact O-N 2.97Å
348E37.2Very low35.2Very low196 Ų196145.3 Ų145.392%0.91686%0.855SS**  trans-69.8115.4178.2-66.9-174.410900113.5
349V34.3Very low35.1Very low152 Ų152148.1 Ų148.192%0.92186%0.857SS**  trans-156.8139.1136.6-1730000105.7G347G347-V349 PolarHBondContact O-N 2.97Å
350G30.4Very low34.7Very low69 Ų69152.9 Ų152.971%0.71186%0.858SS**  cis173.2122.3-400000105.7
351G29.7Very low34.4Very low86 Ų86151.4 Ų151.489%0.88786%0.855SS**  trans-85.6164.1-153.800000117
352E30.7Very low34.1Very low195 Ų195153.8 Ų153.891%0.91185%0.853SS**  trans-140.1143.2149.7-162.1163.3-166.400107.9
353A34.2Very low33.8Very low96 Ų96152.2 Ų152.279%0.79385%0.846SS**  trans-98.4132.4-173.900000111
354V32.4Very low33.5Very low126 Ų126144.9 Ų144.976%0.76484%0.838SS**  trans-130.7110.2166.6-177.70000107.7V356V354-V356 HydrophobicContact CG1-CG2 4.04Å
355E39.5Very low33Very low194 Ų194143.9 Ų143.991%0.90783%0.833SS**  trans-69.3135165.8-63.1172.1143.700108.2
356V35.5Very low33.1Very low130 Ų130150 Ų15079%0.78884%0.841SS**  trans-131126.2171.1-169.20000107.1V354V354-V356 HydrophobicContact CG1-CG2 4.04Å
357E32.4Very low33.2Very low182 Ų182146.1 Ų146.185%0.8583%0.833SS**  trans-70.4161.3-170.7-65.8177.1117.700113.3
358E36.3Very low33.2Very low195 Ų195146.1 Ų146.191%0.91183%0.834SS**  trans-60.4133.3171.6-58.3177131.800110.3
359V32.7Very low33Very low134 Ų134146.3 Ų146.381%0.81284%0.835SS**  trans-101.6113.6171.4179.40000108.5I361V359-I361 PolarHBondContact O-N 2.83Å
360E30.2Very low32.7Very low176 Ų176147.1 Ų147.182%0.82283%0.833SS**  trans-58128.5176.3-68-176.9109.500111.5V362E360-V362 PolarHBondContact O-N 2.92Å; E360-V362 VanDerWaalsContact O-N 3.08Å
361I31.7Very low32.7Very low166 Ų166152.9 Ų152.985%0.85184%0.842SS**  trans-76.896.6168.8-59.7177.9000107.6V359 Q363V359-I361 PolarHBondContact O-N 2.83Å; I361-Q363 PolarHBondContact O-N 3.07Å
362V32.4Very low32.6Very low129 Ų129154.1 Ų154.178%0.78284%0.837SS**  trans-57.1130.7178.8-179.60000110.5E360 A364E360-V362 PolarHBondContact O-N 2.92Å; E360-V362 VanDerWaalsContact O-N 3.08Å; V362-A364 PolarHBondContact O-N 2.81Å
363Q31.6Very low33Very low172 Ų172150.9 Ų150.980%0.80483%0.833SS**  trans-65.1131.8-179.6-62.8174.4-8200111.3I361 E365I361-Q363 PolarHBondContact O-N 3.07Å; Q363-E365 PolarHBondContact O-N 3.1Å
364A30.8Very low32.7Very low92 Ų92155.6 Ų155.676%0.7684%0.839SS**  trans-82.894.4169.400000109.9V362V362-A364 PolarHBondContact O-N 2.81Å
365E30Very low32.5Very low179 Ų179159.3 Ų159.384%0.83685%0.845SS**PPolyproline II helixtrans-72.2132.7170.6-63.8-170.2131.600110.8Q363Q363-E365 PolarHBondContact O-N 3.1Å
366F34.2Very low31.9Very low199 Ų199155 Ų15587%0.87384%0.842SS**PPolyproline II helixtrans-83.1135.2171-74.2-97.6000109.9G368F366-G368 PolarHBondContact O-N 2.9Å
367P40.9Very low31.5Very low122 Ų122153.5 Ų153.579%0.79284%0.837SS**PPolyproline II helixtrans-70.4130172.529.6-33.2000110.4
368G29.3Very low31.3Very low79 Ų79152.9 Ų152.981%0.81483%0.834SS**PPolyproline II helixtrans-73.5161176.800000113.7F366F366-G368 PolarHBondContact O-N 2.9Å
369E34Very low30.8Very low200 Ų200151.1 Ų151.194%0.93583%0.83SS**PPolyproline II helixtrans-87.7149.7179.1-59.4-176.211700112.1
370D28.6Very low30.6Very low168 Ų168149.7 Ų149.790%0.89883%0.826SS**PPolyproline II helixtrans-72.6125.1-179.8-96.4-50.5000112.5
371E29.1Very low30.5Very low190 Ų190150.3 Ų150.389%0.88883%0.829SS**PPolyproline II helixtrans-81.8133.8161.6-84.8-157.2103.100111.6
372S28.4Very low30.2Very low113 Ų113149.1 Ų149.179%0.7983%0.83SS**PPolyproline II helixtrans-93.4130.2168.6-710000111.1
373P38.9Very low30Very low127 Ų127149.8 Ų149.883%0.82582%0.824SS**PPolyproline II helixtrans-85132.7-174.532-34.9000113.8
374E28.1Very low29.8Very low195 Ų195149.1 Ų149.191%0.91183%0.825SS**PPolyproline II helixtrans-95.7165162-78.5-128.997.900112.4
375K27.8Very low29.7Very low204 Ų204152.3 Ų152.389%0.88783%0.825SS**PPolyproline II helixtrans-87144.3-168.1-63.1172-179.71710114.1
376A27.4Very low29.5Very low103 Ų103148.9 Ų148.985%0.85183%0.827SS**  trans-136149145.500000109.7
377S27.6Very low29.1Very low99 Ų99143.9 Ų143.969%0.69282%0.822SS**  trans-101.1148.6-169.4-75.50000114.3
378E27.4Very low29.4Very low168 Ų168143.5 Ų143.579%0.78582%0.82SS**  trans41.1113.7137-57.2169.9108.300119.3
379L25.7Very low29.3Very low158 Ų158148.6 Ų148.683%0.82782%0.822SS**  -174.9127.197.4-97164.3000114.3
380S28.3Very low29Very low104 Ų104143.6 Ų143.673%0.72782%0.815SS**  trans38.4107148.4-59.40000121.5
381Q27.4Very low29Very low189 Ų189143.5 Ų143.588%0.88381%0.814SS**  trans-93.7155.3137.1-71.7-175.2-6.600110.2
382V26.9Very low29.7Very low142 Ų142140 Ų14086%0.86181%0.807SS**  trans-135.1130.5158.6178.20000107.2
383E27.3Very low29.6Very low143 Ų143140.7 Ų140.767%0.66881%0.807SS**  trans-75.2158.2-177.5-62165.470.800112.8
384L26.7Very low29.1Very low158 Ų158140.1 Ų140.183%0.82781%0.806SS**  -172.1103.8111.6-98.4163.9000113.6
385Q29.2Very low29.5Very low159 Ų159136.4 Ų136.474%0.74380%0.802SS**  trans16.4148.6145.4-57.6178.74.600123.4
386A25.8Very low30.2Very low107 Ų107133.1 Ų133.188%0.88480%0.801SS**  trans106137.6146.600000119.2
387A25.3Very low30.3Very low94 Ų94136.8 Ų136.878%0.77780%0.8SS**  trans-134.6-167.3-177.900000107.5
388P48.5Very low31.7Very low114 Ų114136.8 Ų136.874%0.7480%0.798SS**  cis-134.7-177-3.342.1-24.7000114.6
389E26.5Very low32.9Very low185 Ų185134 Ų13486%0.86480%0.795SS**  177158.2119.7-96.8-165.9133.200114.4
390A27.6Very low34.2Very low96 Ų96132.5 Ų132.579%0.79379%0.794SS**  trans58.4107157.900000122.4
391L28.3Very low34.5Very low166 Ų166131.8 Ų131.887%0.86980%0.795SS**  trans-88.1155.9146.3-71.4172.7000108.9
392P44Very low34.8Very low115 Ų115130.8 Ų130.875%0.74780%0.795SS**  -152.1144.974.737.8-16.6000119.4
393V28Very low35.7Very low128 Ų128129.7 Ų129.778%0.77679%0.79SS**  trans32121.8132.1-167.60000120.5
394S28.2Very low36.9Very low116 Ų116129 Ų12981%0.81180%0.799SS**  167.5148.4124.8-74.40000114.2
395S34.7Very low37Very low117 Ų117126.3 Ų126.382%0.81880%0.799SS**  trans-123.6156.7164.6-510000109
396P44.1Very low37.1Very low135 Ų135123.4 Ų123.488%0.87780%0.802SS**  -154.8-175.686.240.4-19.5000117.2
397E29.2Very low37.3Very low179 Ų179126.5 Ų126.584%0.83680%0.803SS**  trans-83.9-172172.9-115.7-168.3109.300113.6
398P56Low37.5Very low99 Ų99125.8 Ų125.864%0.64380%0.797SS**  cis-123.9-118.6-15.836.8-16.4000110.5
399P52.9Low37.4Very low110 Ų110126 Ų12671%0.71480%0.799SS**  -106-145.1-62.441-24.8000110.5
400P53.9Low37.5Very low126 Ų126123 Ų12382%0.81879%0.793SS**  cis-131.4-151.4-14.543.1-23.1000114
401A34Very low37.6Very low89 Ų89125 Ų12574%0.73680%0.796SS**  trans-153.5172.5-17900000116
402L33.6Very low37.7Very low169 Ų169126.6 Ų126.689%0.88580%0.799SS**  trans75.5165.7169.8-53.1179.7000117.7
403P45.8Very low36.9Very low119 Ų119125.1 Ų125.177%0.77380%0.804SS**  cis-123.8-126.6-2.626.70000114.8
404P52.7Low36.8Very low129 Ų129127.8 Ų127.884%0.83881%0.808SS**  -124.9-165.6-107.643-25.3000116.5
405A29.6Very low36.8Very low100 Ų100128.9 Ų128.983%0.82681%0.81SS**  trans-114165.1-168.900000115.5
406A30.9Very low36.6Very low98 Ų98129.2 Ų129.281%0.8181%0.807SS**  trans170.2145.4135.300000112.4
407D29.3Very low36.7Very low172 Ų172127.6 Ų127.692%0.9280%0.796SS**  trans-161.9156.5140.2-127.3-28.7000112.1
408A29.6Very low36.5Very low79 Ų79125.6 Ų125.665%0.65380%0.796SS**  trans-133.3174.9179.300000110.7
409P46Very low35.2Very low118 Ų118124.1 Ų124.177%0.76680%0.799SS**  -137.2155.478.710.315.8000114.2
410V29.8Very low34.3Very low123 Ų123123.9 Ų123.975%0.74580%0.8SS**  59.3116.778-174.30000112.3
411T29.5Very low33.3Very low139 Ų139125.9 Ų125.985%0.85380%0.799SS**  -137.6163.874.843.30000116.8
412Q29.7Very low33.3Very low199 Ų199129.1 Ų129.193%0.9380%0.799SS**  trans-103.4164178-63.5166.4-32.300111.6
413G26.9Very low33Very low84 Ų84126.1 Ų126.187%0.86679%0.787SS**  trans-179.682.3175.100000113.8
414E27.4Very low32.1Very low183 Ų183125.1 Ų125.186%0.85578%0.779SS**  trans-89.6150.2-176.3-174.3-173.6145.300113.1
415V28.1Very low30.9Very low139 Ų139126.7 Ų126.784%0.84278%0.775SS**  trans175.6156.2141.5147.60000112.1
416V28.8Very low31Very low124 Ų124126.5 Ų126.575%0.75277%0.768SS**  trans-151.5159.2-158.4156.80000108.9
417P47Very low30.8Very low101 Ų101130.3 Ų130.366%0.65677%0.769SS**  cis-134-162.810.740.8-20.5000116.7
418T25.3Very low31Very low137 Ų137127.9 Ų127.984%0.8476%0.761SS**  trans69147.8155.443.10000119.6
419G27.6Very low31.5Very low69 Ų69129.8 Ų129.871%0.71177%0.767SS**  cis169.1168.50.600000108.8
420S34.6Very low31Very low104 Ų104130 Ų13073%0.72777%0.765SS**  cis-165.3175.83.6-610000109.8
421E34.2Very low31.6Very low168 Ų168130.2 Ų130.279%0.78577%0.769SS**  trans71148.3160.2-60.6-169.1112.200117.4
422Q33.8Very low31.6Very low158 Ų158128 Ų12874%0.73877%0.765SS**  cis-166.8156.3-3.4-114.7-17347.600105.7
423T27.5Very low31.8Very low106 Ų106123.4 Ų123.465%0.6576%0.761SS**  cis-146.2-166.8-5.8510000107.6
424T26.8Very low31.7Very low97 Ų97124.2 Ų124.260%0.59576%0.76SS**  cis-154.5-178.90.5-15.10000110.2
425E27.1Very low32.2Very low162 Ų162124.7 Ų124.776%0.75776%0.762SS**  trans23.9117148.9-70.2143-142.100120.2
426S30.6Very low32.2Very low97 Ų97125.1 Ų125.168%0.67877%0.765SS**  81.8137.362.2-69.50000113.5
427E27.2Very low32.3Very low177 Ų177124.1 Ų124.183%0.82777%0.77SS**  cis-157.8157.15.6-127.5157.8-149.900112.8
428T33.6Very low31.7Very low121 Ų121125.6 Ų125.674%0.74277%0.772SS**  trans-116.9156.3161.4-24.60000107.4
429P39.8Very low32.4Very low120 Ų120124.5 Ų124.578%0.77977%0.767SS**  -152.316398.138.8-21.5000116.6
430V35.6Very low33.3Very low122 Ų122128.6 Ų128.674%0.73977%0.772SS**  trans-92.4155.8158.5-176.70000108.2
431P42.7Very low33.2Very low128 Ų128133.4 Ų133.483%0.83178%0.78SS**  trans-129.4164.5133.236.4-28.1000112.9
432A28.7Very low33.2Very low92 Ų92134.9 Ų134.976%0.7678%0.78SS**  trans-111169.6-154.100000115.8
433A34.6Very low33.4Very low102 Ų102131.9 Ų131.984%0.84377%0.774SS**  trans69.4106.3151.700000119.8
434A25.7Very low33.7Very low102 Ų102132.6 Ų132.684%0.84378%0.784SS**  trans-153.1151.513800000109.4
435E36.3Very low34.3Very low192 Ų192138.1 Ų138.190%0.89779%0.794SS**  trans-85.3131.7170.1-59.5170.8113.800110.4
436T28.5Very low35.1Very low148 Ų148139.3 Ų139.391%0.90879%0.793SS**  trans-164.1141.2148.939.10000109.1
437A31.4Very low35.2Very low103 Ų103143.9 Ų143.985%0.85180%0.8SS**  trans-108.2131.7174.800000111.7
438D34.5Very low35.3Very low132 Ų132139 Ų13971%0.70680%0.798SS**  trans-157.3148.8162.1-150.813.5000104.9L440D438-L440 PolarHBondContact OD1-N 3.15Å
439P39.3Very low35.1Very low115 Ų115143.1 Ų143.175%0.74781%0.809SS**  -133.8138.760.434.8-17.8000115.7F441P439-F441 PolarHBondContact O-N 3.38Å
440L47.8Very low34.7Very low154 Ų154143.9 Ų143.981%0.80681%0.811SS**  trans-57.4120.4156.3-71.9168.8000112D438D438-L440 PolarHBondContact OD1-N 3.15Å
441F32.2Very low34.6Very low205 Ų205150 Ų15090%0.89982%0.821SS**  trans-150109.5156.9-114.9-82.8000110.8P439P439-F441 PolarHBondContact O-N 3.38Å
442Y33.8Very low33.9Very low199 Ų199153.9 Ų153.978%0.7883%0.825SS**  trans-147.8141.1171.1-140.5-91.7000110.5
443P37.8Very low34Very low96 Ų96154.4 Ų154.462%0.62383%0.829SS**  trans-69159.4-171-24.636.9000116.5W445P443-W445 PolarHBondContact O-N 2.99Å
444S34.4Very low33.6Very low121 Ų121156.2 Ų156.285%0.84683%0.83SS**THydrogen-bonded Turntrans-92.127.4-153.660.80000117.3Y446S444-Y446 VanDerWaalsContact C-N 3.34Å
445W39.5Very low33.8Very low213 Ų213157 Ų15781%0.80783%0.825SS**THydrogen-bonded Turntrans-79.4-17.217665.6-93.6000113.4P443 K447P443-W445 PolarHBondContact O-N 2.99Å; W445-K447 PolarHBondContact O-N 2.9Å
446Y42.3Very low33.3Very low186 Ų186155.5 Ų155.573%0.72982%0.822SS**SBendtrans-97.760.9-174.6-158.4-94.5000114S444S444-Y446 VanDerWaalsContact C-N 3.34Å
447K32.8Very low33.6Very low193 Ų193153.7 Ų153.784%0.83981%0.813SS**SBendtrans178.3124.7146-103.6158.6-175.1173.10113.8W445W445-K447 PolarHBondContact O-N 2.9Å
448G30.9Very low33.5Very low76 Ų76154 Ų15478%0.78481%0.807SS**  trans112.288144.400000117.3
449Q27.7Very low33.1Very low206 Ų206154.1 Ų154.196%0.96382%0.817SS**  trans-128.698.2144.4-124.5178.513.200109.9
450T31.4Very low32.7Very low136 Ų136154.6 Ų154.683%0.83482%0.817SS**  trans-80.1148.3172.941.40000110.8K452T450-K452 PolarHBondContact O-N 3.03Å
451R35.3Very low32.7Very low251 Ų251153.5 Ų153.595%0.94782%0.82SS**  trans-47.9130.5-175.8-66.6172.4170.8167.9-5.3113.5
452K27.7Very low32.4Very low210 Ų210147 Ų14791%0.91381%0.811SS**  trans-130.1139.1141.5-91.4-172.4175.4178.90108.8T450T450-K452 PolarHBondContact O-N 3.03Å
453A30.2Very low32.2Very low102 Ų102142.4 Ų142.484%0.84381%0.807SS**  trans-88142.8-171.700000112.3
454T26.5Very low31.7Very low141 Ų141147.5 Ų147.587%0.86582%0.823SS**  trans-123.1132.6155.3-560000107.2
455T30Very low31.3Very low119 Ų119145 Ų14573%0.7382%0.816SS**  trans-76.2144.3-170.148.50000113.9
456N24.7Very low30.8Very low159 Ų159143.7 Ų143.785%0.8582%0.824SS**  trans-159.7165.3134.3-99.2-26000110.1
457P35.3Very low30Very low110 Ų110138.2 Ų138.271%0.71482%0.824SS**PPolyproline II helixtrans-88.8158.5-139.332.9-37.9000116.1
458P29.8Very low29.9Very low111 Ų111137.8 Ų137.872%0.72183%0.825SS**PPolyproline II helixtrans-83145.6171.334.5-33.7000112.3
459C25.8Very low29.8Very low134 Ų134141.7 Ų141.791%0.90583%0.827SS**PPolyproline II helixtrans-93.6119.9154.1-71.90000108.1
460T31.4Very low29.8Very low124 Ų124135 Ų13576%0.76181%0.812SS**PPolyproline II helixtrans-90.4138-179.847.60000111.9
461P47.4Very low30.9Very low132 Ų132134.5 Ų134.586%0.85781%0.811SS**PPolyproline II helixtrans-76.6164160.634.9-34.3000110.8
462G25.8Very low31.3Very low69 Ų69128.7 Ų128.771%0.71181%0.806SS**  trans162.798.2170.700000117.1
463S28.8Very low31.1Very low101 Ų101121.9 Ų121.971%0.70680%0.796SS**  trans43.4119.5139.863.10000122.5
464E27.6Very low31Very low203 Ų203122 Ų12295%0.94979%0.791SS**  57.7147.5124.7-55.2-173.3119.400122.6
465G27.6Very low31.2Very low69 Ų69123.7 Ų123.771%0.71179%0.788SS**  trans155.351.6157.800000121.7
466L28.8Very low31.1Very low185 Ų185124.1 Ų124.197%0.96979%0.787SS**  trans61.7148.7154-57.4167.3000120.5
467G25.6Very low31.3Very low71 Ų71121.3 Ų121.373%0.73278%0.779SS**  trans121.750.713100000122.8
468Q30.7Very low30.9Very low185 Ų185122.6 Ų122.686%0.86478%0.78SS**  60.1156.9128.2-146.2-179.288.800122.1
469I28.1Very low30.9Very low158 Ų158122.4 Ų122.481%0.8178%0.777SS**  trans86.3145.2167-49.9170.3000115.6
470G27.8Very low31.2Very low64 Ų64123.4 Ų123.466%0.6677%0.768SS**  trans-107.9-162.9-16600000117.2
471P54Low31.2Very low126 Ų126125.2 Ų125.282%0.81877%0.765SS**  trans-85.9164.4-164.338.4-39.6000113.6
472P43.2Very low30.6Very low129 Ų129122.5 Ų122.584%0.83875%0.754SS**  -155.1175.49442-24.3000116.9
473G24.2Very low30.8Very low68 Ų68126 Ų12670%0.70175%0.752SS**  trans83.5132.6153.800000116.9
474S29.1Very low30.9Very low104 Ų104127.3 Ų127.373%0.72776%0.755SS**  cis93.9140.328.777.70000115.2
475E28.8Very low31.1Very low176 Ų176122.3 Ų122.382%0.82275%0.749SS**  trans68.8144163.3-66.4174.1150.200117.2
476D27.9Very low31.1Very low129 Ų129123.5 Ų123.569%0.6975%0.751SS**  cis-164.1168.7-23.3-153.5-74.5000109.4
477S30.6Very low31.2Very low99 Ų99119.4 Ų119.469%0.69274%0.744SS**  trans69.3157146.7-82.30000120.7
478N27Very low31.6Very low138 Ų138120.3 Ų120.374%0.73875%0.745SS**  cis-176-177.6-19.2-174.5-5.7000107.3
479V29.6Very low31.6Very low107 Ų107118.3 Ų118.365%0.64875%0.746SS**  trans79.4126.1158.3178.50000116.8
480Q31.7Very low31.8Very low155 Ų155116 Ų11672%0.72474%0.743SS**  cis-164.3153.2-7.2-116.1178.71600112.5
481K30.3Very low31.9Very low162 Ų162120.2 Ų120.270%0.70475%0.746SS**  trans55154.5144.3-75.5-155.5166.6-134.60121.9E483K481-E483 WeakPolarHBondContact CE-OE2 3.18Å; K481-E483 IonicContact NZ-OE1 3.94Å; K481-E483 IonicContact NZ-OE2 2.95Å; K481-E483 PolarHBondContact NZ-OE2 3.5Å
482A35.9Very low30.8Very low74 Ų74123.9 Ų123.961%0.61274%0.744SS**  cis178.6-176.9-16.700000108.5
483E30.1Very low30.2Very low144 Ų144122 Ų12267%0.67374%0.739SS**  cis-135-133.6-6-129.9129.36200106.4K481K481-E483 WeakPolarHBondContact CE-OE2 3.18Å; K481-E483 IonicContact NZ-OE1 3.94Å; K481-E483 IonicContact NZ-OE2 2.95Å; K481-E483 PolarHBondContact NZ-OE2 3.5Å
484V29.8Very low30.5Very low128 Ų128123 Ų12378%0.77674%0.741SS**  cis-156.8149.6-2.5-139.80000109.1
485A31.6Very low30.5Very low98 Ų98124.5 Ų124.581%0.8175%0.745SS**  trans60.7147.4153.400000122.5
486A29.3Very low30.5Very low93 Ų93122.2 Ų122.277%0.76975%0.748SS**  cis-172.3153.7-20.600000112.7
487A30.4Very low30.5Very low99 Ų99119.7 Ų119.782%0.81875%0.752SS**  trans55.7139.1161.500000120
488A34.3Very low30.5Very low91 Ų91123.5 Ų123.575%0.75276%0.757SS**  cis82.5139.53400000114.4
489T30.5Very low30.5Very low143 Ų143123.5 Ų123.588%0.87775%0.752SS**  cis-154.6175.617.4-27.60000112.8
490S31.6Very low30.4Very low109 Ų109124 Ų12476%0.76276%0.756SS**  trans-84.3155-174.9-42.40000117.6
491E30.9Very low30.2Very low152 Ų152121.7 Ų121.771%0.7176%0.757SS**  168.7153.9118.9-99.1-147.7111.700116.7
492R30.6Very low30.2Very low204 Ų204118.7 Ų118.777%0.7776%0.762SS**  trans67.4113.4144.4-76.3176-168.9-134.1-3125.7
493A30Very low30.7Very low89 Ų89121.6 Ų121.674%0.73678%0.775SS**  87.4118.9107.600000124.2
494A29.9Very low30.6Very low90 Ų90119.5 Ų119.574%0.74478%0.782SS**  84.3113.8120.500000124.1
495V29.6Very low30.6Very low135 Ų135118 Ų11882%0.81878%0.782SS**  78.4112.9125.2178.30000121.2
496S28.2Very low30.4Very low128 Ų128119.4 Ų119.490%0.89578%0.782SS**  trans63.1144.4141.7-158.10000121.5
497G27.7Very low30.3Very low75 Ų75120.8 Ų120.877%0.77379%0.786SS**  trans156.5119.3169.400000112.1
498K31.8Very low30.6Very low180 Ų180125 Ų12578%0.78379%0.788SS**  trans-128.1150.9-175.6-169.2-153.3169.2-1550109.7
499E27Very low30.5Very low138 Ų138128.1 Ų128.165%0.64579%0.791SS**  trans115139.6150.9-55.9-159148.300120.6
500T27.6Very low30.5Very low118 Ų118124.4 Ų124.472%0.72478%0.781SS**  trans66.592.2147.946.20000123
501S27.1Very low30.4Very low106 Ų106127.8 Ų127.874%0.74178%0.782SS**  63.6123.1114.665.70000124.2
502A31.1Very low30.3Very low98 Ų98128.2 Ų128.281%0.8178%0.784SS**  trans72.2156.6146.400000116.6
503P46.3Very low30.4Very low136 Ų136122.9 Ų122.988%0.88378%0.783SS**  cis-125.7-159.344.640.6-24.4000115.2
504A28.3Very low31.6Very low100 Ų100124.4 Ų124.483%0.82679%0.786SS**  trans-133.9169.6-163.800000114.6
505A28.7Very low33.2Very low95 Ų95125.2 Ų125.279%0.78578%0.783SS**  trans-163.4168.6163.300000111.2
506T28.1Very low33.3Very low129 Ų129125.9 Ų125.979%0.79178%0.782SS**  cis-173.5120.6-44.1-85.10000108.1
507S27.6Very low33.7Very low122 Ų122128.2 Ų128.285%0.85378%0.779SS**  trans-178.6134.5153.5-84.60000113.3
508Q35.7Very low33.8Very low186 Ų186128.1 Ų128.187%0.86978%0.778SS**  trans-161.1150.4170.1-100.5-164.3-2.100112
509I32.3Very low34Very low158 Ų158128.8 Ų128.881%0.8178%0.784SS**  trans-150.7137.2146.7-50.6179.2000104.8F511I509-F511 HydrophobicContact CG2-CD2 3.98Å; I509-F511 HydrophobicContact CG2-CE2 4.26Å
510G30.7Very low34.2Very low65 Ų65126.6 Ų126.667%0.6779%0.789SS**  cis-160.4-151.2-5.400000108.3
511F29.8Very low34.4Very low180 Ų180126.1 Ų126.179%0.78980%0.797SS**  cis-145.2-113.9-3.2-143.5-87.1000109.8I509I509-F511 HydrophobicContact CG2-CD2 3.98Å; I509-F511 HydrophobicContact CG2-CE2 4.26Å
512E29.4Very low34.6Very low161 Ų161125.5 Ų125.575%0.75280%0.798SS**  trans-116.6117.9-170.1-71.4172.5114.200115.4
513A31Very low35.6Very low91 Ų91126.5 Ų126.575%0.75280%0.796SS**  38.2165.6111.100000122.7
514P56.2Low35Very low121 Ų121124.3 Ų124.379%0.78679%0.79SS**  cis-136.1-144.3-30.235-11.1000112.8
515P64Low35.2Very low107 Ų107125.8 Ų125.870%0.69579%0.794SS**  -130.2-159.7-90.743.6-24.7000115.6
516L31.2Very low35.2Very low149 Ų149124.4 Ų124.478%0.7879%0.789SS**  trans122162.2154.4-64.2174000116.4
517Q36.7Very low35.2Very low178 Ų178125 Ų12583%0.83280%0.799SS**  -170.1133.7-58.1179.6165.610.200112.4
518G30.1Very low35.2Very low73 Ų73122.8 Ų122.875%0.75380%0.795SS**  trans76.3174.916200000118.2
519Q34.8Very low34.9Very low194 Ų194118.9 Ų118.991%0.90779%0.794SS**  cis-166.6155.7-25.5-142.1-178.425.300112.3
520A32.4Very low34.8Very low91 Ų91119 Ų11975%0.75280%0.797SS**  trans76138.4147.500000125.2
521A30.5Very low34.8Very low108 Ų108122 Ų12289%0.89381%0.808SS**  trans84154.2141.500000123.4
522A32.1Very low34.8Very low94 Ų94122.1 Ų122.178%0.77781%0.811SS**  trans-122.3-159.2178.800000109.3
523P51.2Low35.8Very low118 Ų118119.3 Ų119.377%0.76681%0.807SS**  cis-152.5174.525.846.2-24.8000120.7
524A34.3Very low35.7Very low91 Ų91119.4 Ų119.475%0.75281%0.807SS**  trans67.9159.3137.700000125.6
525S32Very low34.6Very low130 Ų130125.1 Ų125.191%0.90981%0.813SS**  trans74.7147.5171.773.70000118.3
526G29.3Very low32.9Very low66 Ų66128.9 Ų128.968%0.6882%0.821SS**  cis172.9170.3-8.100000114.1
527S27.7Very low33Very low142 Ų142128.6 Ų128.699%0.99382%0.819SS**  trans68.1167.8172.884.40000120.2
528G27.3Very low32.5Very low76 Ų76129.7 Ų129.778%0.78482%0.821SS**  trans-173.3179.5-176.700000111.7
529A29.3Very low32.4Very low103 Ų103131 Ų13185%0.85182%0.819SS**  trans-157.5157.9178.800000113.1
530D32.1Very low32.2Very low160 Ų160130.9 Ų130.986%0.85682%0.816SS**  trans-89.9158-170.7-46.7-91.3000115.7
531S28.8Very low32.2Very low129 Ų129132 Ų13290%0.90282%0.818SS**  trans-168.2136.6133.39.90000113.9
532E31Very low32.6Very low182 Ų182138.5 Ų138.585%0.8582%0.819SS**  trans-141.2173.9167.4-123.3-151.9127.500106.3
533P49.9Very low32.7Very low103 Ų103141.2 Ų141.267%0.66982%0.82SS**  cis-131.5176.1-9.341-26.1000113.9
534A29Very low32Very low92 Ų92143 Ų14376%0.7682%0.823SS**  trans-148128.4154.900000110.7
535R32.1Very low32.1Very low241 Ų241144.4 Ų144.491%0.90983%0.827SS**  trans-108.6128.5176-69.7-176177-165.9-1.1110.4
536H28.4Very low32.5Very low187 Ų187146.5 Ų146.587%0.86683%0.827SS**  trans-120.5147.7160.9-81.3-94.4000110.1
537I33.2Very low32.8Very low143 Ų143151 Ų15173%0.73384%0.836SS**  trans-109.9174.4177.4-69.3172.3000107.5
538F26.7Very low33.1Very low200 Ų200157.3 Ų157.388%0.87785%0.85SS**  trans85.6143.6-177.4-52.5-66.2000114.5
539S27.9Very low33.4Very low101 Ų101161.4 Ų161.471%0.70685%0.853SS**  cis-160.9145.9-23.3-171.30000108.7
540F30.2Very low33.6Very low192 Ų192164.4 Ų164.484%0.84285%0.853SS**  trans-94.3105174.3-76.1-79.6000110.6
541S33.8Very low33.7Very low114 Ų114164.7 Ų164.780%0.79785%0.853SS**  trans-84.5-4.1-177.351.80000115.2
542W37.5Very low34Very low245 Ų245166.8 Ų166.893%0.92885%0.85SS**SBendtrans-103.927.8-170.7-133.265.3000114.6
543L34.9Very low34.2Very low150 Ų150165.8 Ų165.879%0.78585%0.85SS**SBendtrans-116.76.6-178.6-123.3163.4000113.9
544N36.3Very low33.1Very low155 Ų155170 Ų17083%0.82986%0.862SS**  trans-127.876.9174.7-85.4-6000110.8
545S37.3Very low33.4Very low121 Ų121175.6 Ų175.685%0.84687%0.869SS**  trans-159.152.3166.6-76.50000109.9
546L39.2Very low33.5Very low174 Ų174170.5 Ų170.591%0.91187%0.866SS**SBendtrans-154.838.6177.5-114.3-179.5000112.8
547N37.2Very low34Very low162 Ų162169.2 Ų169.287%0.86687%0.866SS**  trans-15965.7163.1-161.398000112.5
548E33.4Very low34Very low273 Ų273171.5 Ų171.5100%1.27688%0.879SS**  trans-150.60151.2-116.5170-17800107.8

Retrieved 548 of 548 residues in 81.2 ms (Link to these results)